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 2eic_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASAPIGSAIS RNNWAVTcDS AQSGNEcNKA IDGNKDTFWH TFYGANGDPK DATA SEQUENCE PPHTYTIDMK TTQNVNGLSM LPRQDGNQNG WIGRHEVYLS SDGTNWGSPV DATA SEQUENCE ASGSWFADST TKYSNFETRP ARYVRLVAIT EANGQPWTSI AEINVFQASS DATA SEQUENCE YTAPQPGLGR WGPTIDLPIV PAAAAIEPTS GRVLMWSSYR NDAFGGSPGG DATA SEQUENCE ITLTSSWDPS TGIVSDRTVT VTKHDMFCPG ISMDGNGQIV VTGGNDAKKT DATA SEQUENCE SLYDSSSDSW IPGPDMQVAR GYQSSATMSD GRVFTIGGSF SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYR SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMCGNAVMYD AVKGKILTFG DATA SEQUENCE GSPDYQDSDA TTNAHIITLG EPGTSPNTVF ASNGLYFART FHTSVVLPDG DATA SEQUENCE STFITGGQRR GIPFEDSTPV FTPEIYVPEQ DTFYKQNPNS IVRVYHSISL DATA SEQUENCE LLPDGRVFNG GGGLCGDCTT NHFDAQIFTP NYLYNSNGNL ATRPKITRTS DATA SEQUENCE TQSVKVGGRI TISTDSSISK ASLIRYGTAT HTVNTDQRRI PLTLTNNGGN DATA SEQUENCE SYSFQVPSDS GVALPGYWML FVMNSAGVPS VASTIRVTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.626 177.584 0.069 0.000 1.274 1 A CA 0.000 52.063 52.037 0.044 0.000 0.836 1 A CB 0.000 19.004 19.000 0.006 0.000 0.831 2 S N -1.366 114.344 115.700 0.017 0.000 3.081 2 S HA 1.003 5.468 4.470 -0.008 0.000 0.316 2 S C -0.655 173.607 174.600 -0.564 0.000 1.089 2 S CA 0.485 58.564 58.200 -0.203 0.000 0.897 2 S CB 1.522 64.672 63.200 -0.084 0.000 1.358 2 S HN 2.643 nan 8.310 nan 0.000 0.678 3 A N 1.267 123.486 122.820 -1.003 0.000 2.597 3 A HA 0.758 5.073 4.320 -0.008 0.000 0.292 3 A C -3.174 173.817 177.584 -0.989 0.000 1.057 3 A CA -1.097 50.344 52.037 -0.992 0.000 0.674 3 A CB 1.270 19.999 19.000 -0.452 0.000 1.278 3 A HN 0.527 nan 8.150 nan 0.000 0.416 4 P HA 0.434 nan 4.420 nan 0.000 0.287 4 P C 0.606 177.633 177.300 -0.455 0.000 1.270 4 P CA -0.539 62.147 63.100 -0.690 0.000 0.844 4 P CB 0.965 31.800 31.700 -1.442 0.000 1.068 5 I N -1.623 118.753 120.570 -0.324 0.000 3.251 5 I HA 0.254 4.420 4.170 -0.008 0.000 0.277 5 I C 0.759 176.787 176.117 -0.148 0.000 1.268 5 I CA 0.258 61.443 61.300 -0.192 0.000 1.449 5 I CB -0.413 37.496 38.000 -0.151 0.000 1.083 5 I HN 0.222 nan 8.210 nan 0.000 0.464 6 G N 0.919 109.630 108.800 -0.148 0.000 3.042 6 G HA2 0.559 4.515 3.960 -0.008 0.000 0.278 6 G HA3 0.559 4.515 3.960 -0.008 0.000 0.278 6 G C -0.954 174.039 174.900 0.155 0.000 1.371 6 G CA -0.196 44.913 45.100 0.016 0.000 1.009 6 G HN 0.304 nan 8.290 nan 0.000 0.523 7 S N -0.880 114.962 115.700 0.236 0.000 2.578 7 S HA 0.703 5.169 4.470 -0.008 0.000 0.283 7 S C 0.403 175.214 174.600 0.352 0.000 1.195 7 S CA 0.008 58.383 58.200 0.292 0.000 1.050 7 S CB 1.512 64.794 63.200 0.136 0.000 1.012 7 S HN 1.530 nan 8.310 nan 0.000 0.511 8 A N 2.683 125.657 122.820 0.257 0.000 2.498 8 A HA 0.425 4.740 4.320 -0.008 0.000 0.239 8 A C 0.257 177.779 177.584 -0.103 0.000 1.068 8 A CA -0.410 51.541 52.037 -0.143 0.000 0.766 8 A CB -0.483 18.433 19.000 -0.140 0.000 1.003 8 A HN 0.843 nan 8.150 nan 0.000 0.497 9 I N 1.762 122.245 120.570 -0.145 0.000 2.440 9 I HA 0.167 4.333 4.170 -0.008 0.000 0.294 9 I C 0.878 176.861 176.117 -0.224 0.000 0.995 9 I CA -0.251 61.024 61.300 -0.043 0.000 1.306 9 I CB 1.625 39.739 38.000 0.190 0.000 1.407 9 I HN 0.760 nan 8.210 nan 0.000 0.501 10 S N 5.543 121.117 115.700 -0.210 0.000 2.498 10 S HA 0.185 4.650 4.470 -0.008 0.000 0.281 10 S C 0.606 174.783 174.600 -0.705 0.000 1.265 10 S CA -0.596 57.402 58.200 -0.336 0.000 1.071 10 S CB 0.413 63.498 63.200 -0.192 0.000 0.894 10 S HN 0.595 nan 8.310 nan 0.000 0.491 11 R N 2.052 121.984 120.500 -0.946 0.000 2.363 11 R HA 0.125 4.460 4.340 -0.008 0.000 0.236 11 R C 0.706 176.580 176.300 -0.710 0.000 0.966 11 R CA -0.252 54.946 56.100 -1.503 0.000 1.100 11 R CB -0.280 29.296 30.300 -1.208 0.000 1.125 11 R HN 0.591 nan 8.270 nan 0.000 0.514 12 N N 1.561 120.008 118.700 -0.423 0.000 2.039 12 N HA -0.149 4.586 4.740 -0.008 0.000 0.193 12 N C 1.133 176.602 175.510 -0.068 0.000 1.044 12 N CA 1.407 54.346 53.050 -0.184 0.000 0.847 12 N CB -0.317 38.094 38.487 -0.127 0.000 1.030 12 N HN 0.164 nan 8.380 nan 0.000 0.422 13 N N -0.168 118.523 118.700 -0.015 0.000 2.396 13 N HA -0.049 4.686 4.740 -0.008 0.000 0.180 13 N C -0.244 175.392 175.510 0.209 0.000 1.028 13 N CA 0.040 53.143 53.050 0.089 0.000 0.893 13 N CB -0.141 38.402 38.487 0.094 0.000 0.967 13 N HN 0.232 nan 8.380 nan 0.000 0.440 14 W N 1.098 122.384 121.300 -0.023 0.000 2.576 14 W HA 0.120 4.776 4.660 -0.006 0.000 0.339 14 W C 0.491 177.002 176.519 -0.014 0.000 1.170 14 W CA -0.915 56.418 57.345 -0.019 0.000 1.370 14 W CB -0.397 29.061 29.460 -0.003 0.000 1.187 14 W HN -0.087 nan 8.180 nan 0.000 0.584 15 A N 2.979 125.892 122.820 0.155 0.000 2.335 15 A HA 0.697 5.012 4.320 -0.008 0.000 0.304 15 A C -0.994 176.596 177.584 0.011 0.000 1.118 15 A CA -0.711 51.367 52.037 0.067 0.000 0.757 15 A CB 0.969 19.988 19.000 0.032 0.000 1.188 15 A HN 0.732 nan 8.150 nan 0.000 0.460 16 V N 0.298 120.199 119.914 -0.022 0.000 2.715 16 V HA 0.965 5.081 4.120 -0.008 0.000 0.310 16 V C -0.242 175.695 176.094 -0.262 0.000 1.054 16 V CA -0.386 61.812 62.300 -0.170 0.000 0.928 16 V CB 1.406 33.118 31.823 -0.185 0.000 1.007 16 V HN 0.802 nan 8.190 nan 0.000 0.437 17 T N 2.237 116.548 114.554 -0.404 0.000 2.906 17 T HA 0.715 5.060 4.350 -0.008 0.000 0.295 17 T C -0.779 173.583 174.700 -0.564 0.000 1.061 17 T CA -0.394 61.496 62.100 -0.350 0.000 1.000 17 T CB 1.594 70.350 68.868 -0.187 0.000 1.103 17 T HN 1.009 nan 8.240 nan 0.000 0.486 18 c N 1.519 119.871 118.600 -0.414 0.000 2.994 18 c HA 0.459 5.025 4.570 -0.008 0.000 0.304 18 c C 1.486 175.515 174.090 -0.102 0.000 1.273 18 c CA -0.819 55.274 56.329 -0.394 0.000 1.537 18 c CB 2.055 44.268 42.510 -0.495 0.000 2.001 18 c HN 1.110 nan 8.230 nan 0.000 0.471 19 D N 0.874 121.304 120.400 0.050 0.000 2.149 19 D HA -0.055 4.580 4.640 -0.008 0.000 0.201 19 D C 0.364 176.641 176.300 -0.038 0.000 0.972 19 D CA 1.058 55.093 54.000 0.058 0.000 0.835 19 D CB 0.148 41.042 40.800 0.157 0.000 0.966 19 D HN 0.619 nan 8.370 nan 0.000 0.476 20 S N -1.082 114.595 115.700 -0.038 0.000 2.533 20 S HA 0.695 5.160 4.470 -0.008 0.000 0.271 20 S C -1.121 173.427 174.600 -0.087 0.000 1.143 20 S CA -0.720 57.169 58.200 -0.519 0.000 0.891 20 S CB 2.292 64.909 63.200 -0.972 0.000 1.105 20 S HN 0.514 nan 8.310 nan 0.000 0.468 21 A N 2.139 124.869 122.820 -0.150 0.000 2.547 21 A HA 0.563 4.878 4.320 -0.008 0.000 0.279 21 A C -0.612 177.170 177.584 0.329 0.000 1.088 21 A CA -0.612 51.592 52.037 0.279 0.000 0.796 21 A CB 0.983 20.214 19.000 0.385 0.000 1.308 21 A HN 0.708 nan 8.150 nan 0.000 0.415 22 Q N 1.810 121.836 119.800 0.376 0.000 2.311 22 Q HA 0.239 4.574 4.340 -0.008 0.000 0.272 22 Q C 0.489 176.595 176.000 0.177 0.000 1.012 22 Q CA 0.166 56.159 55.803 0.316 0.000 0.891 22 Q CB 0.881 29.724 28.738 0.175 0.000 1.201 22 Q HN 0.929 nan 8.270 nan 0.000 0.391 23 S N 1.074 116.844 115.700 0.115 0.000 2.626 23 S HA 0.164 4.629 4.470 -0.008 0.000 0.303 23 S C 1.130 175.743 174.600 0.023 0.000 1.256 23 S CA 0.141 58.378 58.200 0.062 0.000 1.069 23 S CB 0.398 63.612 63.200 0.024 0.000 0.807 23 S HN 0.979 nan 8.310 nan 0.000 0.500 24 G N 3.195 112.008 108.800 0.021 0.000 2.232 24 G HA2 -0.243 3.713 3.960 -0.008 0.000 0.226 24 G HA3 -0.243 3.713 3.960 -0.008 0.000 0.226 24 G C -0.015 174.851 174.900 -0.057 0.000 0.996 24 G CA -0.010 45.074 45.100 -0.026 0.000 0.626 24 G HN 0.768 nan 8.290 nan 0.000 0.509 25 N N 1.079 119.789 118.700 0.017 0.000 2.599 25 N HA 0.431 5.167 4.740 -0.008 0.000 0.309 25 N C -0.365 175.294 175.510 0.247 0.000 1.743 25 N CA -0.455 52.619 53.050 0.040 0.000 0.918 25 N CB 0.846 39.376 38.487 0.073 0.000 1.339 25 N HN 0.370 nan 8.380 nan 0.000 0.493 26 E N -0.112 120.206 120.200 0.197 0.000 2.458 26 E HA -0.104 4.241 4.350 -0.008 0.000 0.264 26 E C 0.839 177.624 176.600 0.309 0.000 1.097 26 E CA 0.030 56.568 56.400 0.230 0.000 0.973 26 E CB 0.501 30.276 29.700 0.126 0.000 0.963 26 E HN 0.254 nan 8.360 nan 0.000 0.451 27 c N 2.415 121.110 118.600 0.159 0.000 2.401 27 c HA -0.175 4.390 4.570 -0.008 0.000 0.276 27 c C 1.995 176.111 174.090 0.044 0.000 1.233 27 c CA 1.500 57.748 56.329 -0.136 0.000 1.753 27 c CB -1.153 41.141 42.510 -0.359 0.000 2.029 27 c HN 0.858 nan 8.230 nan 0.000 0.478 28 N N 0.079 118.826 118.700 0.079 0.000 2.550 28 N HA -0.083 4.652 4.740 -0.008 0.000 0.186 28 N C 1.216 176.824 175.510 0.164 0.000 1.110 28 N CA 0.786 53.910 53.050 0.124 0.000 0.912 28 N CB -0.591 37.944 38.487 0.080 0.000 0.968 28 N HN 0.434 nan 8.380 nan 0.000 0.448 29 K N 0.826 121.344 120.400 0.196 0.000 2.283 29 K HA 0.094 4.409 4.320 -0.008 0.000 0.202 29 K C 1.734 178.463 176.600 0.216 0.000 1.048 29 K CA 0.945 57.338 56.287 0.177 0.000 0.948 29 K CB -0.438 32.165 32.500 0.171 0.000 0.742 29 K HN 0.382 nan 8.250 nan 0.000 0.458 30 A N 1.349 124.348 122.820 0.298 0.000 2.119 30 A HA -0.027 4.288 4.320 -0.008 0.000 0.217 30 A C 1.725 179.410 177.584 0.169 0.000 1.153 30 A CA 0.767 52.954 52.037 0.250 0.000 0.692 30 A CB -0.466 18.687 19.000 0.255 0.000 0.799 30 A HN 0.420 nan 8.150 nan 0.000 0.458 31 I N -3.585 117.098 120.570 0.188 0.000 3.707 31 I HA 0.266 4.432 4.170 -0.008 0.000 0.330 31 I C 0.439 176.588 176.117 0.054 0.000 1.572 31 I CA 0.135 61.512 61.300 0.128 0.000 1.104 31 I CB 0.546 38.680 38.000 0.224 0.000 1.240 31 I HN 0.064 nan 8.210 nan 0.000 0.475 32 D N 1.258 121.694 120.400 0.060 0.000 2.349 32 D HA 0.102 4.737 4.640 -0.008 0.000 0.215 32 D C 1.609 177.912 176.300 0.005 0.000 1.016 32 D CA 0.782 54.800 54.000 0.030 0.000 0.870 32 D CB 0.346 41.173 40.800 0.045 0.000 0.917 32 D HN 0.510 nan 8.370 nan 0.000 0.524 33 G N 0.422 109.222 108.800 0.000 0.000 2.179 33 G HA2 -0.293 3.662 3.960 -0.008 0.000 0.260 33 G HA3 -0.293 3.662 3.960 -0.008 0.000 0.260 33 G C 0.071 174.974 174.900 0.006 0.000 0.977 33 G CA 0.130 45.223 45.100 -0.012 0.000 0.641 33 G HN 0.569 nan 8.290 nan 0.000 0.533 34 N N 0.709 119.423 118.700 0.025 0.000 2.424 34 N HA 0.336 5.071 4.740 -0.008 0.000 0.271 34 N C 1.283 176.827 175.510 0.057 0.000 0.985 34 N CA -0.072 52.998 53.050 0.034 0.000 0.921 34 N CB 1.013 39.520 38.487 0.034 0.000 1.149 34 N HN 0.541 nan 8.380 nan 0.000 0.492 35 K N 1.794 122.225 120.400 0.052 0.000 2.505 35 K HA 0.093 4.408 4.320 -0.008 0.000 0.192 35 K C -0.528 176.137 176.600 0.108 0.000 1.025 35 K CA 0.570 56.898 56.287 0.068 0.000 1.086 35 K CB 0.403 32.925 32.500 0.036 0.000 0.840 35 K HN 0.244 nan 8.250 nan 0.000 0.514 36 D N 1.471 121.937 120.400 0.110 0.000 2.417 36 D HA -0.012 4.623 4.640 -0.008 0.000 0.207 36 D C 0.039 176.441 176.300 0.170 0.000 1.075 36 D CA 0.541 54.624 54.000 0.138 0.000 0.851 36 D CB 0.862 41.711 40.800 0.082 0.000 0.976 36 D HN 0.396 nan 8.370 nan 0.000 0.505 37 T N -0.620 114.014 114.554 0.133 0.000 2.859 37 T HA 0.658 5.004 4.350 -0.008 0.000 0.281 37 T C -0.253 174.555 174.700 0.181 0.000 1.005 37 T CA -0.908 61.214 62.100 0.037 0.000 1.025 37 T CB 1.382 70.257 68.868 0.013 0.000 0.977 37 T HN 0.018 nan 8.240 nan 0.000 0.458 38 F N -0.875 119.147 119.950 0.121 0.000 2.631 38 F HA 0.716 5.238 4.527 -0.008 0.000 0.308 38 F C -1.085 174.865 175.800 0.251 0.000 1.097 38 F CA -2.117 55.981 58.000 0.164 0.000 0.952 38 F CB 0.781 39.846 39.000 0.107 0.000 1.307 38 F HN 0.838 nan 8.300 nan 0.000 0.450 39 W N 4.169 125.677 121.300 0.345 0.000 2.202 39 W HA 0.560 5.215 4.660 -0.009 0.000 0.332 39 W C -1.335 175.437 176.519 0.421 0.000 1.263 39 W CA -0.018 57.509 57.345 0.303 0.000 1.223 39 W CB 0.460 30.122 29.460 0.337 0.000 1.128 39 W HN 0.810 nan 8.180 nan 0.000 0.573 40 H N 3.397 122.235 119.070 -0.387 0.000 3.026 40 H HA 0.209 4.761 4.556 -0.007 0.000 0.352 40 H C -0.330 174.713 175.328 -0.476 0.000 1.090 40 H CA -0.076 55.708 56.048 -0.441 0.000 1.268 40 H CB 1.457 31.242 29.762 0.039 0.000 1.816 40 H HN 0.540 nan 8.280 nan 0.000 0.518 41 T N 1.303 115.638 114.554 -0.364 0.000 2.748 41 T HA 0.207 4.552 4.350 -0.008 0.000 0.304 41 T C 0.797 175.736 174.700 0.397 0.000 1.041 41 T CA -0.563 61.441 62.100 -0.160 0.000 1.033 41 T CB 0.358 68.828 68.868 -0.663 0.000 0.995 41 T HN 0.191 nan 8.240 nan 0.000 0.536 42 F N 2.010 122.115 119.950 0.257 0.000 2.650 42 F HA 0.343 4.866 4.527 -0.007 0.000 0.355 42 F C 0.434 176.507 175.800 0.454 0.000 1.163 42 F CA -0.380 57.775 58.000 0.259 0.000 1.374 42 F CB -0.775 38.338 39.000 0.189 0.000 1.065 42 F HN 0.817 nan 8.300 nan 0.000 0.616 43 Y N -1.305 119.204 120.300 0.348 0.000 2.583 43 Y HA 0.519 5.065 4.550 -0.008 0.000 0.330 43 Y C -0.055 175.921 175.900 0.126 0.000 1.185 43 Y CA -1.128 57.163 58.100 0.319 0.000 1.107 43 Y CB 0.716 39.303 38.460 0.213 0.000 1.344 43 Y HN 1.001 nan 8.280 nan 0.000 0.463 44 G N 1.690 110.637 108.800 0.244 0.000 2.720 44 G HA2 -0.246 3.709 3.960 -0.008 0.000 0.293 44 G HA3 -0.246 3.709 3.960 -0.008 0.000 0.293 44 G C 1.214 176.098 174.900 -0.026 0.000 1.256 44 G CA 1.583 46.722 45.100 0.065 0.000 0.974 44 G HN 1.946 nan 8.290 nan 0.000 0.551 45 A N 0.309 123.049 122.820 -0.133 0.000 2.015 45 A HA 0.117 4.432 4.320 -0.008 0.000 0.219 45 A C 1.912 179.393 177.584 -0.172 0.000 1.163 45 A CA 2.110 54.066 52.037 -0.134 0.000 0.646 45 A CB -0.441 18.466 19.000 -0.154 0.000 0.806 45 A HN 0.667 nan 8.150 nan 0.000 0.448 46 N N -0.823 117.730 118.700 -0.246 0.000 2.336 46 N HA 0.331 5.067 4.740 -0.008 0.000 0.189 46 N C 0.584 175.973 175.510 -0.203 0.000 1.113 46 N CA 0.228 53.033 53.050 -0.409 0.000 0.858 46 N CB 0.278 38.244 38.487 -0.867 0.000 0.970 46 N HN 0.605 nan 8.380 nan 0.000 0.471 47 G N 1.141 109.924 108.800 -0.028 0.000 2.756 47 G HA2 -0.181 3.775 3.960 -0.008 0.000 0.678 47 G HA3 -0.181 3.775 3.960 -0.008 0.000 0.678 47 G C -1.412 173.631 174.900 0.237 0.000 1.349 47 G CA -0.817 44.338 45.100 0.091 0.000 0.847 47 G HN 0.221 nan 8.290 nan 0.000 0.548 48 D N 1.930 122.472 120.400 0.238 0.000 2.551 48 D HA 0.318 4.953 4.640 -0.008 0.000 0.294 48 D C -2.133 174.285 176.300 0.196 0.000 1.201 48 D CA -0.821 53.352 54.000 0.289 0.000 0.941 48 D CB 1.239 42.146 40.800 0.179 0.000 0.995 48 D HN 0.368 nan 8.370 nan 0.000 0.502 49 P HA -0.009 nan 4.420 nan 0.000 0.261 49 P C 0.270 177.696 177.300 0.209 0.000 1.203 49 P CA 0.036 63.283 63.100 0.246 0.000 0.767 49 P CB 1.210 33.119 31.700 0.349 0.000 0.785 50 K N 4.657 125.084 120.400 0.044 0.000 2.230 50 K HA 0.201 4.517 4.320 -0.008 0.000 0.253 50 K C -2.084 174.385 176.600 -0.218 0.000 1.008 50 K CA -1.329 54.926 56.287 -0.053 0.000 0.910 50 K CB -0.580 31.870 32.500 -0.084 0.000 0.994 50 K HN 0.346 nan 8.250 nan 0.000 0.495 51 P HA 0.146 nan 4.420 nan 0.000 0.274 51 P C -2.425 174.714 177.300 -0.268 0.000 1.256 51 P CA -1.077 61.754 63.100 -0.448 0.000 0.795 51 P CB -0.135 31.483 31.700 -0.137 0.000 1.038 52 P HA 0.124 nan 4.420 nan 0.000 0.269 52 P C -0.738 176.355 177.300 -0.345 0.000 1.215 52 P CA 0.659 63.644 63.100 -0.191 0.000 0.780 52 P CB 0.317 31.971 31.700 -0.076 0.000 0.898 53 H N -0.195 118.949 119.070 0.124 0.000 2.717 53 H HA 0.430 4.982 4.556 -0.007 0.000 0.366 53 H C -0.534 174.945 175.328 0.253 0.000 1.132 53 H CA -0.257 55.919 56.048 0.213 0.000 1.180 53 H CB 1.867 31.788 29.762 0.264 0.000 1.678 53 H HN 0.225 nan 8.280 nan 0.000 0.537 54 T N 2.539 117.302 114.554 0.349 0.000 2.841 54 T HA 0.229 4.575 4.350 -0.008 0.000 0.283 54 T C -1.038 173.684 174.700 0.036 0.000 1.000 54 T CA -0.564 61.630 62.100 0.157 0.000 0.977 54 T CB 1.149 70.010 68.868 -0.013 0.000 0.979 54 T HN 0.387 nan 8.240 nan 0.000 0.446 55 Y N 2.503 122.728 120.300 -0.124 0.000 2.376 55 Y HA 0.454 4.999 4.550 -0.008 0.000 0.326 55 Y C -0.198 175.594 175.900 -0.179 0.000 0.970 55 Y CA -0.523 57.395 58.100 -0.303 0.000 1.248 55 Y CB 0.886 39.166 38.460 -0.300 0.000 1.117 55 Y HN 0.585 nan 8.280 nan 0.000 0.476 56 T N 6.955 121.359 114.554 -0.249 0.000 2.859 56 T HA 0.636 4.982 4.350 -0.008 0.000 0.281 56 T C -0.543 174.115 174.700 -0.070 0.000 1.005 56 T CA -0.500 61.557 62.100 -0.072 0.000 1.025 56 T CB 1.021 69.866 68.868 -0.038 0.000 0.977 56 T HN 0.454 nan 8.240 nan 0.000 0.458 57 I N 2.247 122.845 120.570 0.046 0.000 2.466 57 I HA 0.308 4.473 4.170 -0.008 0.000 0.289 57 I C -0.797 175.241 176.117 -0.132 0.000 1.026 57 I CA -0.842 60.393 61.300 -0.108 0.000 1.078 57 I CB 2.049 39.854 38.000 -0.324 0.000 1.249 57 I HN 0.489 nan 8.210 nan 0.000 0.429 58 D N 7.171 127.457 120.400 -0.191 0.000 2.454 58 D HA 0.321 4.957 4.640 -0.008 0.000 0.225 58 D C 0.511 176.538 176.300 -0.455 0.000 1.081 58 D CA -0.359 53.433 54.000 -0.346 0.000 0.864 58 D CB 1.165 41.883 40.800 -0.137 0.000 1.040 58 D HN 0.455 nan 8.370 nan 0.000 0.517 59 M N 2.746 121.977 119.600 -0.614 0.000 2.722 59 M HA -0.048 4.427 4.480 -0.008 0.000 0.238 59 M C 1.107 177.342 176.300 -0.108 0.000 1.098 59 M CA 0.093 55.092 55.300 -0.501 0.000 1.062 59 M CB -0.001 32.367 32.600 -0.388 0.000 1.573 59 M HN 0.300 nan 8.290 nan 0.000 0.531 60 K N -1.603 118.674 120.400 -0.203 0.000 6.035 60 K HA -0.210 4.106 4.320 -0.008 0.000 0.451 60 K C 0.776 177.307 176.600 -0.114 0.000 0.399 60 K CA 2.235 58.451 56.287 -0.117 0.000 1.899 60 K CB -1.600 30.901 32.500 0.003 0.000 0.814 60 K HN 0.489 nan 8.250 nan 0.000 0.694 61 T N 0.418 114.931 114.554 -0.070 0.000 2.940 61 T HA 0.444 4.789 4.350 -0.008 0.000 0.288 61 T C -0.629 174.033 174.700 -0.064 0.000 1.045 61 T CA -0.134 61.937 62.100 -0.050 0.000 1.018 61 T CB 1.699 70.567 68.868 -0.000 0.000 1.151 61 T HN 0.137 nan 8.240 nan 0.000 0.529 62 T N 4.121 118.648 114.554 -0.044 0.000 2.794 62 T HA 0.409 4.755 4.350 -0.008 0.000 0.296 62 T C -0.525 174.170 174.700 -0.008 0.000 0.949 62 T CA -0.464 61.613 62.100 -0.039 0.000 1.101 62 T CB 0.503 69.350 68.868 -0.034 0.000 0.905 62 T HN 0.445 nan 8.240 nan 0.000 0.516 63 Q N 2.448 122.248 119.800 -0.000 0.000 2.397 63 Q HA 0.327 4.662 4.340 -0.008 0.000 0.275 63 Q C -0.615 175.401 176.000 0.027 0.000 1.090 63 Q CA -0.930 54.893 55.803 0.033 0.000 0.809 63 Q CB 1.569 30.349 28.738 0.071 0.000 1.362 63 Q HN 0.452 nan 8.270 nan 0.000 0.431 64 N N 1.401 120.125 118.700 0.040 0.000 2.895 64 N HA 0.093 4.829 4.740 -0.008 0.000 0.277 64 N C -0.369 175.192 175.510 0.085 0.000 1.185 64 N CA 0.091 53.164 53.050 0.039 0.000 1.106 64 N CB 0.185 38.719 38.487 0.078 0.000 1.422 64 N HN 0.266 nan 8.380 nan 0.000 0.521 65 V N 2.482 122.462 119.914 0.110 0.000 2.655 65 V HA -0.013 4.103 4.120 -0.008 0.000 0.300 65 V C 1.308 177.516 176.094 0.189 0.000 1.044 65 V CA 0.036 62.445 62.300 0.183 0.000 1.095 65 V CB 0.630 32.616 31.823 0.271 0.000 0.952 65 V HN 0.642 nan 8.190 nan 0.000 0.485 66 N N 2.198 120.909 118.700 0.019 0.000 2.167 66 N HA 0.337 5.072 4.740 -0.008 0.000 0.234 66 N C -0.183 174.832 175.510 -0.826 0.000 1.312 66 N CA 0.500 53.381 53.050 -0.281 0.000 0.861 66 N CB 1.383 39.806 38.487 -0.108 0.000 1.217 66 N HN 0.860 nan 8.380 nan 0.000 0.504 67 G N 0.161 108.555 108.800 -0.677 0.000 2.325 67 G HA2 0.476 4.431 3.960 -0.008 0.000 0.297 67 G HA3 0.476 4.431 3.960 -0.008 0.000 0.297 67 G C -2.348 172.772 174.900 0.367 0.000 1.448 67 G CA -0.478 44.363 45.100 -0.431 0.000 0.838 67 G HN 0.516 nan 8.290 nan 0.000 0.579 68 L N -1.394 120.128 121.223 0.499 0.000 2.469 68 L HA 1.005 5.340 4.340 -0.008 0.000 0.256 68 L C -0.201 176.972 176.870 0.504 0.000 1.006 68 L CA -0.960 54.215 54.840 0.559 0.000 0.832 68 L CB 1.776 44.075 42.059 0.400 0.000 1.421 68 L HN 1.382 nan 8.230 nan 0.000 0.410 69 S N 1.935 117.856 115.700 0.369 0.000 2.542 69 S HA 0.888 5.353 4.470 -0.008 0.000 0.293 69 S C -0.701 173.790 174.600 -0.182 0.000 1.089 69 S CA -0.638 57.538 58.200 -0.041 0.000 0.961 69 S CB 1.835 65.017 63.200 -0.030 0.000 1.062 69 S HN 1.037 nan 8.310 nan 0.000 0.483 70 M N 3.334 122.663 119.600 -0.452 0.000 2.204 70 M HA 0.527 5.003 4.480 -0.008 0.000 0.293 70 M C -2.334 173.690 176.300 -0.461 0.000 0.994 70 M CA -1.110 53.948 55.300 -0.402 0.000 0.925 70 M CB 1.482 33.799 32.600 -0.471 0.000 1.577 70 M HN 0.892 nan 8.290 nan 0.000 0.439 71 L N 8.827 129.882 121.223 -0.279 0.000 2.280 71 L HA 0.674 5.009 4.340 -0.008 0.000 0.287 71 L C -2.513 174.259 176.870 -0.163 0.000 1.023 71 L CA -1.283 53.413 54.840 -0.239 0.000 0.819 71 L CB 1.452 43.422 42.059 -0.149 0.000 1.212 71 L HN 0.461 nan 8.230 nan 0.000 0.420 72 P HA 0.156 nan 4.420 nan 0.000 0.272 72 P C -1.206 176.069 177.300 -0.041 0.000 1.254 72 P CA -0.422 62.614 63.100 -0.106 0.000 0.795 72 P CB 0.281 31.815 31.700 -0.278 0.000 1.022 73 R N 1.158 121.633 120.500 -0.042 0.000 2.537 73 R HA 0.099 4.434 4.340 -0.008 0.000 0.280 73 R C 0.128 176.421 176.300 -0.012 0.000 1.058 73 R CA -0.053 55.930 56.100 -0.195 0.000 1.057 73 R CB -0.119 29.776 30.300 -0.676 0.000 0.973 73 R HN 0.373 nan 8.270 nan 0.000 0.438 74 Q N 1.842 121.649 119.800 0.013 0.000 2.204 74 Q HA -0.021 4.315 4.340 -0.008 0.000 0.209 74 Q C -0.007 176.021 176.000 0.046 0.000 0.861 74 Q CA 0.237 56.064 55.803 0.040 0.000 0.971 74 Q CB 0.681 29.440 28.738 0.035 0.000 1.095 74 Q HN 0.798 nan 8.270 nan 0.000 0.486 75 D N -0.767 119.653 120.400 0.034 0.000 2.349 75 D HA 0.037 4.672 4.640 -0.008 0.000 0.224 75 D C 1.196 177.504 176.300 0.014 0.000 1.029 75 D CA 0.747 54.772 54.000 0.041 0.000 0.879 75 D CB 0.152 41.001 40.800 0.081 0.000 0.906 75 D HN 0.257 nan 8.370 nan 0.000 0.528 76 G N 0.289 109.098 108.800 0.015 0.000 2.194 76 G HA2 -0.274 3.682 3.960 -0.008 0.000 0.236 76 G HA3 -0.274 3.682 3.960 -0.008 0.000 0.236 76 G C 0.016 174.884 174.900 -0.053 0.000 0.987 76 G CA 0.055 45.160 45.100 0.008 0.000 0.635 76 G HN 0.624 nan 8.290 nan 0.000 0.520 77 N N -0.004 118.622 118.700 -0.123 0.000 2.456 77 N HA 0.397 5.132 4.740 -0.008 0.000 0.296 77 N C 1.055 176.274 175.510 -0.485 0.000 1.102 77 N CA -0.337 52.561 53.050 -0.253 0.000 0.924 77 N CB 0.844 39.184 38.487 -0.244 0.000 1.186 77 N HN 0.314 nan 8.380 nan 0.000 0.492 78 Q N 0.647 120.014 119.800 -0.720 0.000 2.408 78 Q HA 0.111 4.446 4.340 -0.008 0.000 0.205 78 Q C -0.470 174.853 176.000 -1.128 0.000 0.919 78 Q CA 0.003 54.914 55.803 -1.486 0.000 0.932 78 Q CB 0.174 28.162 28.738 -1.251 0.000 1.058 78 Q HN 0.526 nan 8.270 nan 0.000 0.517 79 N N 1.168 119.510 118.700 -0.597 0.000 2.411 79 N HA 0.042 4.778 4.740 -0.008 0.000 0.265 79 N C 0.796 176.102 175.510 -0.339 0.000 1.266 79 N CA 1.385 54.237 53.050 -0.330 0.000 0.889 79 N CB 0.777 38.953 38.487 -0.518 0.000 1.069 79 N HN 0.440 nan 8.380 nan 0.000 0.476 80 G N 0.858 109.623 108.800 -0.059 0.000 2.179 80 G HA2 -0.215 3.740 3.960 -0.008 0.000 0.220 80 G HA3 -0.215 3.740 3.960 -0.008 0.000 0.220 80 G C -0.572 174.371 174.900 0.072 0.000 0.990 80 G CA -0.638 44.395 45.100 -0.112 0.000 0.646 80 G HN 0.445 nan 8.290 nan 0.000 0.517 81 W N 1.420 122.688 121.300 -0.054 0.000 2.308 81 W HA 0.599 5.254 4.660 -0.008 0.000 0.324 81 W C 0.940 177.488 176.519 0.049 0.000 1.387 81 W CA -1.173 56.156 57.345 -0.027 0.000 1.250 81 W CB -0.161 29.277 29.460 -0.037 0.000 1.257 81 W HN 0.125 nan 8.180 nan 0.000 0.554 82 I N 3.978 124.748 120.570 0.334 0.000 2.441 82 I HA 0.228 4.393 4.170 -0.008 0.000 0.287 82 I C 1.233 177.561 176.117 0.351 0.000 1.049 82 I CA 0.310 61.810 61.300 0.334 0.000 1.381 82 I CB 0.623 38.872 38.000 0.415 0.000 1.409 82 I HN 0.568 nan 8.210 nan 0.000 0.523 83 G N 6.122 115.076 108.800 0.255 0.000 2.606 83 G HA2 0.227 4.183 3.960 -0.008 0.000 0.213 83 G HA3 0.227 4.183 3.960 -0.008 0.000 0.213 83 G C 0.423 175.433 174.900 0.182 0.000 2.020 83 G CA -0.432 44.795 45.100 0.211 0.000 0.814 83 G HN 0.454 nan 8.290 nan 0.000 0.685 84 R N 1.259 121.808 120.500 0.082 0.000 2.594 84 R HA 0.385 4.721 4.340 -0.008 0.000 0.272 84 R C -0.148 176.136 176.300 -0.026 0.000 1.074 84 R CA 0.181 56.258 56.100 -0.037 0.000 1.105 84 R CB 0.417 30.701 30.300 -0.027 0.000 1.008 84 R HN 0.807 nan 8.270 nan 0.000 0.472 85 H N -0.682 118.271 119.070 -0.194 0.000 2.932 85 H HA 0.422 4.975 4.556 -0.005 0.000 0.307 85 H C -1.318 173.887 175.328 -0.204 0.000 1.391 85 H CA -1.027 54.891 56.048 -0.216 0.000 1.130 85 H CB 1.535 31.042 29.762 -0.425 0.000 1.836 85 H HN 0.575 nan 8.280 nan 0.000 0.522 86 E N 0.519 120.703 120.200 -0.028 0.000 2.390 86 E HA 0.503 4.849 4.350 -0.008 0.000 0.277 86 E C -1.420 175.147 176.600 -0.056 0.000 0.939 86 E CA -1.097 55.227 56.400 -0.126 0.000 0.769 86 E CB 3.659 33.277 29.700 -0.137 0.000 1.251 86 E HN 0.321 nan 8.360 nan 0.000 0.450 87 V N 2.561 122.355 119.914 -0.200 0.000 2.483 87 V HA 0.389 4.505 4.120 -0.008 0.000 0.297 87 V C -1.367 174.556 176.094 -0.284 0.000 1.027 87 V CA -0.744 61.491 62.300 -0.108 0.000 0.855 87 V CB 0.520 32.335 31.823 -0.013 0.000 0.995 87 V HN 0.566 nan 8.190 nan 0.000 0.424 88 Y N 4.422 124.707 120.300 -0.025 0.000 2.487 88 Y HA 0.749 5.292 4.550 -0.012 0.000 0.337 88 Y C -0.006 176.056 175.900 0.269 0.000 1.076 88 Y CA -0.933 57.223 58.100 0.094 0.000 1.115 88 Y CB 1.888 40.404 38.460 0.094 0.000 1.235 88 Y HN 0.388 nan 8.280 nan 0.000 0.468 89 L N 1.889 123.382 121.223 0.450 0.000 2.385 89 L HA 0.634 4.969 4.340 -0.008 0.000 0.273 89 L C -0.495 176.501 176.870 0.210 0.000 0.990 89 L CA -0.599 54.431 54.840 0.316 0.000 0.821 89 L CB 2.109 44.242 42.059 0.123 0.000 1.279 89 L HN 0.568 nan 8.230 nan 0.000 0.412 90 S N 0.288 115.996 115.700 0.013 0.000 2.570 90 S HA 0.445 4.911 4.470 -0.008 0.000 0.286 90 S C 0.226 174.773 174.600 -0.087 0.000 1.099 90 S CA -0.297 57.700 58.200 -0.339 0.000 0.913 90 S CB 2.244 64.645 63.200 -1.331 0.000 1.085 90 S HN 0.583 nan 8.310 nan 0.000 0.480 91 S N 0.611 116.232 115.700 -0.132 0.000 2.497 91 S HA 0.080 4.546 4.470 -0.008 0.000 0.221 91 S C 0.840 175.459 174.600 0.031 0.000 1.037 91 S CA 0.938 59.132 58.200 -0.011 0.000 0.920 91 S CB -0.110 63.061 63.200 -0.048 0.000 0.800 91 S HN 0.858 nan 8.310 nan 0.000 0.505 92 D N -0.882 119.401 120.400 -0.194 0.000 2.454 92 D HA 0.278 4.914 4.640 -0.008 0.000 0.219 92 D C 1.192 177.144 176.300 -0.579 0.000 1.081 92 D CA 0.949 54.810 54.000 -0.231 0.000 0.867 92 D CB -0.487 40.193 40.800 -0.199 0.000 1.054 92 D HN 0.355 nan 8.370 nan 0.000 0.500 93 G N -0.841 107.292 108.800 -1.112 0.000 2.130 93 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.216 93 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.216 93 G C 0.697 175.204 174.900 -0.656 0.000 0.999 93 G CA 0.667 45.020 45.100 -1.245 0.000 0.686 93 G HN 0.434 nan 8.290 nan 0.000 0.515 94 T N -1.023 113.138 114.554 -0.654 0.000 3.507 94 T HA 0.159 4.504 4.350 -0.008 0.000 0.280 94 T C 0.601 175.088 174.700 -0.355 0.000 0.976 94 T CA 0.136 62.037 62.100 -0.331 0.000 1.096 94 T CB 0.192 68.936 68.868 -0.208 0.000 1.168 94 T HN 0.315 nan 8.240 nan 0.000 0.463 95 N N 0.875 119.327 118.700 -0.413 0.000 2.406 95 N HA 0.148 4.883 4.740 -0.008 0.000 0.251 95 N C -0.571 174.695 175.510 -0.407 0.000 1.069 95 N CA -0.049 52.839 53.050 -0.271 0.000 0.947 95 N CB 1.017 39.398 38.487 -0.176 0.000 1.111 95 N HN 0.417 nan 8.380 nan 0.000 0.497 96 W N 2.085 123.333 121.300 -0.087 0.000 2.907 96 W HA 0.209 4.862 4.660 -0.012 0.000 0.271 96 W C 1.625 178.205 176.519 0.103 0.000 1.253 96 W CA 0.423 57.743 57.345 -0.042 0.000 1.501 96 W CB 0.258 29.575 29.460 -0.239 0.000 1.047 96 W HN 0.707 nan 8.180 nan 0.000 0.610 97 G N 0.922 109.874 108.800 0.253 0.000 2.575 97 G HA2 -0.331 3.625 3.960 -0.008 0.000 0.267 97 G HA3 -0.331 3.625 3.960 -0.008 0.000 0.267 97 G C 0.074 175.169 174.900 0.326 0.000 1.264 97 G CA -0.046 45.184 45.100 0.217 0.000 0.935 97 G HN 0.157 nan 8.290 nan 0.000 0.568 98 S N 1.128 116.954 115.700 0.209 0.000 2.601 98 S HA 0.612 5.078 4.470 -0.008 0.000 0.271 98 S C -2.120 172.481 174.600 0.001 0.000 1.305 98 S CA -0.456 57.831 58.200 0.145 0.000 1.022 98 S CB 0.866 64.111 63.200 0.074 0.000 0.940 98 S HN 0.579 nan 8.310 nan 0.000 0.525 99 P HA 0.102 nan 4.420 nan 0.000 0.276 99 P C 0.726 177.836 177.300 -0.316 0.000 1.235 99 P CA -0.474 62.257 63.100 -0.616 0.000 0.772 99 P CB 0.660 31.959 31.700 -0.669 0.000 0.871 100 V N 0.633 120.330 119.914 -0.361 0.000 3.041 100 V HA 0.358 4.473 4.120 -0.008 0.000 0.260 100 V C 0.655 176.582 176.094 -0.278 0.000 1.105 100 V CA 1.078 63.171 62.300 -0.345 0.000 1.125 100 V CB -1.135 30.297 31.823 -0.651 0.000 0.730 100 V HN 0.560 nan 8.190 nan 0.000 0.479 101 A N 0.015 122.675 122.820 -0.267 0.000 2.566 101 A HA 0.818 5.134 4.320 -0.008 0.000 0.297 101 A C -0.420 177.077 177.584 -0.144 0.000 1.059 101 A CA 0.254 52.236 52.037 -0.093 0.000 0.691 101 A CB 1.606 20.671 19.000 0.108 0.000 1.282 101 A HN 1.311 nan 8.150 nan 0.000 0.401 102 S N 0.535 116.139 115.700 -0.159 0.000 2.567 102 S HA 0.962 5.428 4.470 -0.008 0.000 0.270 102 S C -0.125 174.264 174.600 -0.351 0.000 1.152 102 S CA 0.436 58.453 58.200 -0.306 0.000 0.835 102 S CB 1.117 64.189 63.200 -0.213 0.000 1.115 102 S HN 2.807 nan 8.310 nan 0.000 0.459 103 G N 0.777 109.228 108.800 -0.582 0.000 2.441 103 G HA2 0.460 4.416 3.960 -0.008 0.000 0.222 103 G HA3 0.460 4.416 3.960 -0.008 0.000 0.222 103 G C -1.442 173.167 174.900 -0.485 0.000 1.254 103 G CA -0.126 44.754 45.100 -0.367 0.000 0.959 103 G HN 1.449 nan 8.290 nan 0.000 0.474 104 S N -0.173 115.418 115.700 -0.182 0.000 2.672 104 S HA 0.572 5.037 4.470 -0.008 0.000 0.291 104 S C -1.299 173.428 174.600 0.212 0.000 1.145 104 S CA -0.491 57.704 58.200 -0.009 0.000 1.013 104 S CB 1.168 64.414 63.200 0.077 0.000 1.017 104 S HN 0.492 nan 8.310 nan 0.000 0.487 105 W N 2.898 124.374 121.300 0.294 0.000 2.315 105 W HA 0.397 5.056 4.660 -0.003 0.000 0.316 105 W C 0.255 176.843 176.519 0.116 0.000 1.211 105 W CA -1.880 55.565 57.345 0.167 0.000 1.201 105 W CB 0.153 29.638 29.460 0.041 0.000 1.184 105 W HN 0.619 nan 8.180 nan 0.000 0.544 106 F N 2.372 122.427 119.950 0.176 0.000 2.595 106 F HA 0.233 4.755 4.527 -0.009 0.000 0.359 106 F C 0.819 176.611 175.800 -0.013 0.000 1.147 106 F CA -0.077 57.956 58.000 0.054 0.000 1.341 106 F CB 0.696 39.672 39.000 -0.040 0.000 1.104 106 F HN 0.376 nan 8.300 nan 0.000 0.603 107 A N 5.084 127.414 122.820 -0.816 0.000 2.805 107 A HA 0.421 4.737 4.320 -0.008 0.000 0.301 107 A C -0.904 176.386 177.584 -0.490 0.000 1.557 107 A CA 0.202 51.963 52.037 -0.460 0.000 1.254 107 A CB -1.165 17.671 19.000 -0.274 0.000 1.114 107 A HN 0.744 nan 8.150 nan 0.000 0.553 108 D N -0.838 119.111 120.400 -0.750 0.000 2.738 108 D HA 0.146 4.782 4.640 -0.008 0.000 0.308 108 D C 0.163 175.552 176.300 -1.519 0.000 1.311 108 D CA 0.178 53.598 54.000 -0.967 0.000 0.799 108 D CB 0.000 40.696 40.800 -0.174 0.000 1.332 108 D HN 0.203 nan 8.370 nan 0.000 0.441 109 S N -1.480 113.656 115.700 -0.940 0.000 2.660 109 S HA 0.226 4.691 4.470 -0.008 0.000 0.227 109 S C 0.712 175.073 174.600 -0.399 0.000 0.948 109 S CA 0.248 58.070 58.200 -0.630 0.000 0.948 109 S CB -1.254 61.866 63.200 -0.134 0.000 0.779 109 S HN 0.789 nan 8.310 nan 0.000 0.487 110 T N -0.120 114.199 114.554 -0.392 0.000 2.882 110 T HA 0.360 4.705 4.350 -0.008 0.000 0.287 110 T C 0.152 174.620 174.700 -0.386 0.000 1.014 110 T CA -0.419 61.500 62.100 -0.301 0.000 1.049 110 T CB 0.592 69.312 68.868 -0.247 0.000 1.001 110 T HN 0.138 nan 8.240 nan 0.000 0.525 111 T N 3.864 118.215 114.554 -0.338 0.000 2.902 111 T HA 0.232 4.577 4.350 -0.008 0.000 0.301 111 T C 0.288 174.584 174.700 -0.673 0.000 1.012 111 T CA -0.359 61.447 62.100 -0.491 0.000 1.151 111 T CB 0.156 68.767 68.868 -0.428 0.000 0.946 111 T HN 0.447 nan 8.240 nan 0.000 0.542 112 K N 2.388 122.215 120.400 -0.955 0.000 2.166 112 K HA 0.561 4.876 4.320 -0.008 0.000 0.245 112 K C -0.910 175.049 176.600 -1.069 0.000 0.967 112 K CA -0.573 55.015 56.287 -1.166 0.000 0.863 112 K CB 1.334 32.517 32.500 -2.196 0.000 1.107 112 K HN 0.549 nan 8.250 nan 0.000 0.436 113 Y N -1.069 119.032 120.300 -0.331 0.000 2.605 113 Y HA 0.390 4.935 4.550 -0.008 0.000 0.343 113 Y C -0.174 175.955 175.900 0.382 0.000 1.036 113 Y CA -0.819 57.294 58.100 0.022 0.000 1.065 113 Y CB 2.520 40.967 38.460 -0.021 0.000 1.288 113 Y HN 0.346 nan 8.280 nan 0.000 0.481 114 S N 2.182 118.205 115.700 0.538 0.000 2.775 114 S HA 0.384 4.849 4.470 -0.008 0.000 0.277 114 S C -1.426 173.385 174.600 0.351 0.000 1.156 114 S CA -0.909 57.621 58.200 0.550 0.000 1.081 114 S CB 0.223 63.810 63.200 0.645 0.000 1.054 114 S HN 0.478 nan 8.310 nan 0.000 0.482 115 N N 3.142 121.984 118.700 0.236 0.000 2.372 115 N HA 0.754 5.489 4.740 -0.008 0.000 0.291 115 N C -0.891 174.668 175.510 0.082 0.000 1.024 115 N CA -0.340 52.689 53.050 -0.035 0.000 0.873 115 N CB 1.404 39.882 38.487 -0.016 0.000 1.206 115 N HN 0.566 nan 8.380 nan 0.000 0.486 116 F N -1.741 118.267 119.950 0.096 0.000 2.686 116 F HA 0.463 4.988 4.527 -0.005 0.000 0.311 116 F C -0.045 175.799 175.800 0.074 0.000 1.128 116 F CA -1.272 56.778 58.000 0.084 0.000 0.946 116 F CB 0.647 39.706 39.000 0.098 0.000 1.336 116 F HN -0.036 nan 8.300 nan 0.000 0.457 117 E N 1.349 121.749 120.200 0.334 0.000 2.568 117 E HA 0.056 4.402 4.350 -0.008 0.000 0.262 117 E C -0.194 176.595 176.600 0.314 0.000 0.961 117 E CA 0.298 56.843 56.400 0.242 0.000 0.945 117 E CB 0.358 30.211 29.700 0.254 0.000 0.924 117 E HN 0.657 nan 8.360 nan 0.000 0.467 118 T N 4.079 118.761 114.554 0.213 0.000 2.908 118 T HA 0.089 4.435 4.350 -0.008 0.000 0.301 118 T C 0.700 175.563 174.700 0.271 0.000 1.019 118 T CA 0.447 62.688 62.100 0.235 0.000 1.152 118 T CB 0.314 69.314 68.868 0.219 0.000 0.966 118 T HN 0.284 nan 8.240 nan 0.000 0.540 119 R N 4.265 124.852 120.500 0.145 0.000 2.512 119 R HA 0.289 4.625 4.340 -0.008 0.000 0.291 119 R C -2.955 173.257 176.300 -0.148 0.000 1.097 119 R CA -2.033 54.030 56.100 -0.060 0.000 0.940 119 R CB 1.666 32.007 30.300 0.067 0.000 1.198 119 R HN 0.339 nan 8.270 nan 0.000 0.429 120 P HA 0.144 nan 4.420 nan 0.000 0.267 120 P C -1.255 175.980 177.300 -0.108 0.000 1.205 120 P CA 0.134 63.092 63.100 -0.237 0.000 0.765 120 P CB 1.507 33.005 31.700 -0.337 0.000 0.828 121 A N 3.286 126.082 122.820 -0.040 0.000 2.610 121 A HA 0.518 4.833 4.320 -0.008 0.000 0.291 121 A C 0.577 178.143 177.584 -0.030 0.000 1.086 121 A CA -0.674 51.359 52.037 -0.007 0.000 0.677 121 A CB 1.500 20.531 19.000 0.052 0.000 1.278 121 A HN 0.495 nan 8.150 nan 0.000 0.414 122 R N -1.015 119.453 120.500 -0.055 0.000 2.257 122 R HA 0.270 4.606 4.340 -0.008 0.000 0.195 122 R C -0.797 175.277 176.300 -0.378 0.000 0.921 122 R CA 0.599 56.554 56.100 -0.243 0.000 1.069 122 R CB 0.195 30.276 30.300 -0.365 0.000 1.115 122 R HN 0.692 nan 8.270 nan 0.000 0.571 123 Y N -0.241 120.005 120.300 -0.089 0.000 2.487 123 Y HA 0.534 5.080 4.550 -0.007 0.000 0.337 123 Y C -0.460 175.513 175.900 0.121 0.000 1.076 123 Y CA -1.030 57.055 58.100 -0.026 0.000 1.115 123 Y CB 2.197 40.641 38.460 -0.028 0.000 1.235 123 Y HN -0.337 nan 8.280 nan 0.000 0.468 124 V N 2.709 122.806 119.914 0.306 0.000 2.686 124 V HA 0.538 4.654 4.120 -0.008 0.000 0.306 124 V C -0.837 175.409 176.094 0.253 0.000 1.065 124 V CA -1.116 61.349 62.300 0.276 0.000 0.894 124 V CB 1.976 33.866 31.823 0.112 0.000 1.004 124 V HN 0.746 nan 8.190 nan 0.000 0.424 125 R N 3.870 124.482 120.500 0.188 0.000 2.476 125 R HA 0.695 5.030 4.340 -0.008 0.000 0.305 125 R C -1.828 174.518 176.300 0.076 0.000 0.965 125 R CA -0.732 55.350 56.100 -0.029 0.000 0.867 125 R CB 1.648 31.573 30.300 -0.626 0.000 1.176 125 R HN 0.615 nan 8.270 nan 0.000 0.447 126 L N 5.885 127.186 121.223 0.129 0.000 2.276 126 L HA 0.408 4.743 4.340 -0.008 0.000 0.286 126 L C -1.387 175.590 176.870 0.177 0.000 1.024 126 L CA -0.433 54.509 54.840 0.170 0.000 0.826 126 L CB 1.713 43.892 42.059 0.201 0.000 1.211 126 L HN 0.365 nan 8.230 nan 0.000 0.422 127 V N 4.789 124.798 119.914 0.158 0.000 2.439 127 V HA 0.680 4.796 4.120 -0.008 0.000 0.282 127 V C 0.583 176.785 176.094 0.180 0.000 1.039 127 V CA -0.409 61.983 62.300 0.153 0.000 0.913 127 V CB 1.213 33.107 31.823 0.118 0.000 0.983 127 V HN 0.915 nan 8.190 nan 0.000 0.460 128 A N 5.451 128.403 122.820 0.220 0.000 2.478 128 A HA 0.505 4.820 4.320 -0.008 0.000 0.327 128 A C 1.005 178.667 177.584 0.130 0.000 1.431 128 A CA -0.409 51.756 52.037 0.213 0.000 1.014 128 A CB -0.160 19.012 19.000 0.287 0.000 1.143 128 A HN 0.686 nan 8.150 nan 0.000 0.532 129 I N 1.412 122.032 120.570 0.083 0.000 2.252 129 I HA -0.073 4.093 4.170 -0.008 0.000 0.245 129 I C 1.590 177.721 176.117 0.022 0.000 1.102 129 I CA 2.102 63.420 61.300 0.030 0.000 1.385 129 I CB -1.385 36.621 38.000 0.009 0.000 1.064 129 I HN 0.694 nan 8.210 nan 0.000 0.414 130 T N -2.045 112.541 114.554 0.053 0.000 2.838 130 T HA 0.457 4.802 4.350 -0.008 0.000 0.292 130 T C -0.507 174.246 174.700 0.087 0.000 1.113 130 T CA -0.815 61.313 62.100 0.046 0.000 1.008 130 T CB 3.215 72.104 68.868 0.035 0.000 1.259 130 T HN 0.039 nan 8.240 nan 0.000 0.520 131 E N -0.044 120.193 120.200 0.062 0.000 2.171 131 E HA 0.516 4.861 4.350 -0.008 0.000 0.271 131 E C 1.210 177.865 176.600 0.092 0.000 0.916 131 E CA -0.551 55.902 56.400 0.088 0.000 0.774 131 E CB 1.790 31.505 29.700 0.025 0.000 1.128 131 E HN 0.885 nan 8.360 nan 0.000 0.403 132 A N 4.388 127.302 122.820 0.157 0.000 2.117 132 A HA -0.258 4.058 4.320 -0.008 0.000 0.224 132 A C 1.131 178.764 177.584 0.081 0.000 1.167 132 A CA 2.367 54.492 52.037 0.147 0.000 0.664 132 A CB -0.328 18.833 19.000 0.268 0.000 0.811 132 A HN 0.706 nan 8.150 nan 0.000 0.470 133 N N -3.169 115.560 118.700 0.049 0.000 2.160 133 N HA 0.386 5.121 4.740 -0.008 0.000 0.226 133 N C 0.705 176.209 175.510 -0.011 0.000 1.256 133 N CA 0.670 53.726 53.050 0.011 0.000 0.890 133 N CB 1.083 39.564 38.487 -0.010 0.000 1.116 133 N HN 0.569 nan 8.380 nan 0.000 0.517 134 G N 0.255 109.043 108.800 -0.020 0.000 2.141 134 G HA2 -0.250 3.705 3.960 -0.008 0.000 0.242 134 G HA3 -0.250 3.705 3.960 -0.008 0.000 0.242 134 G C -0.104 174.727 174.900 -0.115 0.000 0.982 134 G CA -0.202 44.867 45.100 -0.051 0.000 0.662 134 G HN 0.129 nan 8.290 nan 0.000 0.527 135 Q N -0.585 119.119 119.800 -0.160 0.000 2.249 135 Q HA 0.389 4.724 4.340 -0.008 0.000 0.226 135 Q C -1.512 174.148 176.000 -0.567 0.000 0.983 135 Q CA -1.598 53.980 55.803 -0.374 0.000 0.930 135 Q CB 0.857 29.413 28.738 -0.304 0.000 1.193 135 Q HN 0.142 nan 8.270 nan 0.000 0.508 136 P HA -0.043 nan 4.420 nan 0.000 0.233 136 P C -0.623 176.448 177.300 -0.382 0.000 1.167 136 P CA 0.702 63.398 63.100 -0.673 0.000 0.770 136 P CB 0.119 31.392 31.700 -0.711 0.000 0.837 137 W N -0.836 120.483 121.300 0.031 0.000 2.166 137 W HA 0.612 5.269 4.660 -0.006 0.000 0.364 137 W C -0.239 176.157 176.519 -0.204 0.000 1.344 137 W CA -0.305 56.954 57.345 -0.143 0.000 1.471 137 W CB -0.438 28.838 29.460 -0.305 0.000 1.220 137 W HN -0.455 nan 8.180 nan 0.000 0.666 138 T N 1.454 115.858 114.554 -0.251 0.000 3.335 138 T HA 0.365 4.710 4.350 -0.008 0.000 0.321 138 T C -1.166 173.103 174.700 -0.718 0.000 0.960 138 T CA -0.935 60.970 62.100 -0.325 0.000 1.034 138 T CB 0.662 69.407 68.868 -0.205 0.000 1.040 138 T HN 0.514 nan 8.240 nan 0.000 0.454 139 S N 3.346 118.774 115.700 -0.453 0.000 2.605 139 S HA 0.762 5.228 4.470 -0.008 0.000 0.308 139 S C -0.584 173.983 174.600 -0.055 0.000 1.113 139 S CA -0.831 57.147 58.200 -0.369 0.000 1.049 139 S CB 0.634 63.525 63.200 -0.515 0.000 1.001 139 S HN 0.628 nan 8.310 nan 0.000 0.480 140 I N 3.375 124.064 120.570 0.198 0.000 2.382 140 I HA 0.420 4.585 4.170 -0.008 0.000 0.286 140 I C 1.170 177.449 176.117 0.270 0.000 1.002 140 I CA -0.926 60.512 61.300 0.229 0.000 1.135 140 I CB 1.633 39.810 38.000 0.294 0.000 1.288 140 I HN 0.871 nan 8.210 nan 0.000 0.448 141 A N 5.630 128.548 122.820 0.164 0.000 1.841 141 A HA 0.065 4.380 4.320 -0.008 0.000 0.214 141 A C 0.748 178.417 177.584 0.142 0.000 1.195 141 A CA 1.318 53.482 52.037 0.211 0.000 0.611 141 A CB 0.122 19.195 19.000 0.123 0.000 0.835 141 A HN 0.646 nan 8.150 nan 0.000 0.443 142 E N -1.254 118.974 120.200 0.047 0.000 2.290 142 E HA 0.553 4.899 4.350 -0.008 0.000 0.274 142 E C -1.695 174.877 176.600 -0.046 0.000 0.889 142 E CA -0.272 56.135 56.400 0.013 0.000 0.760 142 E CB 1.925 31.624 29.700 -0.002 0.000 1.206 142 E HN 0.389 nan 8.360 nan 0.000 0.419 143 I N 2.471 123.015 120.570 -0.044 0.000 2.509 143 I HA 0.398 4.563 4.170 -0.008 0.000 0.293 143 I C -1.024 175.113 176.117 0.032 0.000 1.020 143 I CA -0.485 60.775 61.300 -0.066 0.000 1.088 143 I CB 1.040 38.903 38.000 -0.229 0.000 1.267 143 I HN 0.272 nan 8.210 nan 0.000 0.430 144 N N 5.386 124.094 118.700 0.015 0.000 2.262 144 N HA 0.566 5.302 4.740 -0.008 0.000 0.295 144 N C -1.564 173.886 175.510 -0.100 0.000 1.161 144 N CA -0.415 52.598 53.050 -0.061 0.000 0.767 144 N CB 2.862 41.190 38.487 -0.266 0.000 1.499 144 N HN 0.222 nan 8.380 nan 0.000 0.476 145 V N 1.839 121.683 119.914 -0.118 0.000 2.769 145 V HA 0.606 4.721 4.120 -0.008 0.000 0.312 145 V C -0.909 174.936 176.094 -0.414 0.000 1.061 145 V CA -0.591 61.678 62.300 -0.052 0.000 0.931 145 V CB 1.406 33.333 31.823 0.175 0.000 1.010 145 V HN 0.471 nan 8.190 nan 0.000 0.433 146 F N 1.743 121.774 119.950 0.135 0.000 2.556 146 F HA 0.722 5.244 4.527 -0.008 0.000 0.327 146 F C 0.177 176.009 175.800 0.052 0.000 1.059 146 F CA -0.691 57.354 58.000 0.074 0.000 0.953 146 F CB 1.909 40.922 39.000 0.022 0.000 1.227 146 F HN 0.531 nan 8.300 nan 0.000 0.478 147 Q N 1.315 121.247 119.800 0.221 0.000 2.397 147 Q HA 0.882 5.218 4.340 -0.008 0.000 0.275 147 Q C -1.285 174.778 176.000 0.105 0.000 1.090 147 Q CA -1.339 54.546 55.803 0.136 0.000 0.809 147 Q CB 2.382 31.184 28.738 0.108 0.000 1.362 147 Q HN 0.755 nan 8.270 nan 0.000 0.431 148 A N 1.413 124.277 122.820 0.072 0.000 2.249 148 A HA 0.394 4.709 4.320 -0.008 0.000 0.281 148 A C 1.004 178.614 177.584 0.044 0.000 1.127 148 A CA 0.044 52.104 52.037 0.038 0.000 0.833 148 A CB 0.319 19.336 19.000 0.028 0.000 1.140 148 A HN 0.998 nan 8.150 nan 0.000 0.502 149 S N -0.845 114.868 115.700 0.022 0.000 2.414 149 S HA 0.158 4.624 4.470 -0.008 0.000 0.227 149 S C 0.732 175.354 174.600 0.037 0.000 1.022 149 S CA 0.898 59.112 58.200 0.024 0.000 0.958 149 S CB -0.645 62.559 63.200 0.006 0.000 0.797 149 S HN 1.853 nan 8.310 nan 0.000 0.493 150 S N -0.848 114.879 115.700 0.045 0.000 2.643 150 S HA 0.605 5.070 4.470 -0.008 0.000 0.270 150 S C -1.727 172.950 174.600 0.129 0.000 1.166 150 S CA -0.981 57.263 58.200 0.072 0.000 0.815 150 S CB 0.975 64.196 63.200 0.035 0.000 1.139 150 S HN 0.340 nan 8.310 nan 0.000 0.472 151 Y N 0.874 121.177 120.300 0.005 0.000 2.350 151 Y HA 0.669 5.214 4.550 -0.009 0.000 0.338 151 Y C -1.027 174.877 175.900 0.006 0.000 0.961 151 Y CA -0.302 57.803 58.100 0.009 0.000 1.100 151 Y CB 2.091 40.566 38.460 0.024 0.000 1.179 151 Y HN 0.849 nan 8.280 nan 0.000 0.454 152 T N 6.175 120.331 114.554 -0.664 0.000 2.864 152 T HA 0.661 5.007 4.350 -0.008 0.000 0.299 152 T C -0.321 173.905 174.700 -0.791 0.000 1.011 152 T CA -0.521 61.236 62.100 -0.571 0.000 0.975 152 T CB 0.735 69.448 68.868 -0.258 0.000 0.962 152 T HN 0.882 nan 8.240 nan 0.000 0.448 153 A N 5.014 127.364 122.820 -0.783 0.000 2.498 153 A HA 0.499 4.815 4.320 -0.008 0.000 0.239 153 A C -2.012 175.455 177.584 -0.194 0.000 1.068 153 A CA -0.885 50.895 52.037 -0.428 0.000 0.766 153 A CB -0.538 18.373 19.000 -0.148 0.000 1.003 153 A HN 0.528 nan 8.150 nan 0.000 0.497 154 P HA 0.127 nan 4.420 nan 0.000 0.269 154 P C -0.400 176.873 177.300 -0.045 0.000 1.209 154 P CA 0.018 63.100 63.100 -0.031 0.000 0.776 154 P CB 0.402 32.109 31.700 0.013 0.000 0.876 155 Q N 2.918 122.700 119.800 -0.031 0.000 2.293 155 Q HA 0.228 4.564 4.340 -0.008 0.000 0.251 155 Q C -2.070 173.897 176.000 -0.056 0.000 0.930 155 Q CA -1.684 54.098 55.803 -0.035 0.000 0.893 155 Q CB 0.034 28.763 28.738 -0.016 0.000 1.215 155 Q HN 0.328 nan 8.270 nan 0.000 0.425 156 P HA -0.026 nan 4.420 nan 0.000 0.268 156 P C 0.351 177.600 177.300 -0.086 0.000 1.204 156 P CA 0.768 63.812 63.100 -0.094 0.000 0.768 156 P CB 0.508 32.169 31.700 -0.066 0.000 0.842 157 G N 2.289 111.012 108.800 -0.128 0.000 2.184 157 G HA2 -0.256 3.700 3.960 -0.008 0.000 0.264 157 G HA3 -0.256 3.700 3.960 -0.008 0.000 0.264 157 G C 0.322 175.180 174.900 -0.070 0.000 0.975 157 G CA -0.070 44.973 45.100 -0.094 0.000 0.642 157 G HN 0.516 nan 8.290 nan 0.000 0.536 158 L N 0.751 121.937 121.223 -0.060 0.000 3.062 158 L HA 0.506 4.841 4.340 -0.008 0.000 0.255 158 L C 1.459 178.368 176.870 0.065 0.000 1.274 158 L CA 0.009 54.864 54.840 0.024 0.000 1.047 158 L CB -0.192 41.903 42.059 0.060 0.000 1.402 158 L HN 0.924 nan 8.230 nan 0.000 0.550 159 G N 1.196 109.940 108.800 -0.093 0.000 2.877 159 G HA2 -0.207 3.748 3.960 -0.008 0.000 0.279 159 G HA3 -0.207 3.748 3.960 -0.008 0.000 0.279 159 G C -0.522 174.214 174.900 -0.274 0.000 1.431 159 G CA -0.702 44.226 45.100 -0.287 0.000 0.883 159 G HN 0.316 nan 8.290 nan 0.000 0.547 160 R N -1.272 118.935 120.500 -0.489 0.000 2.604 160 R HA 0.386 4.721 4.340 -0.008 0.000 0.281 160 R C -1.285 174.865 176.300 -0.250 0.000 1.020 160 R CA -0.654 55.321 56.100 -0.208 0.000 0.899 160 R CB 1.736 31.980 30.300 -0.093 0.000 1.205 160 R HN 0.510 nan 8.270 nan 0.000 0.450 161 W N 1.063 122.435 121.300 0.120 0.000 2.390 161 W HA 0.575 5.233 4.660 -0.003 0.000 0.312 161 W C 0.636 177.217 176.519 0.104 0.000 1.123 161 W CA 0.405 57.851 57.345 0.169 0.000 1.202 161 W CB 2.087 31.667 29.460 0.200 0.000 1.251 161 W HN 0.841 nan 8.180 nan 0.000 0.511 162 G N 3.830 112.824 108.800 0.324 0.000 2.402 162 G HA2 0.040 3.995 3.960 -0.008 0.000 0.666 162 G HA3 0.040 3.995 3.960 -0.008 0.000 0.666 162 G C -2.988 171.978 174.900 0.110 0.000 1.402 162 G CA -1.434 43.789 45.100 0.206 0.000 0.920 162 G HN 0.251 nan 8.290 nan 0.000 0.651 163 P HA 0.555 nan 4.420 nan 0.000 0.293 163 P C -0.214 177.120 177.300 0.055 0.000 1.304 163 P CA -0.102 63.035 63.100 0.062 0.000 0.767 163 P CB 0.934 32.641 31.700 0.011 0.000 1.247 164 T N 0.987 115.570 114.554 0.049 0.000 2.795 164 T HA 0.387 4.733 4.350 -0.008 0.000 0.282 164 T C 0.078 174.745 174.700 -0.055 0.000 0.980 164 T CA -0.227 61.898 62.100 0.041 0.000 1.012 164 T CB 0.062 69.032 68.868 0.170 0.000 0.936 164 T HN 0.137 nan 8.240 nan 0.000 0.457 165 I N 3.792 124.269 120.570 -0.154 0.000 2.307 165 I HA 0.248 4.413 4.170 -0.008 0.000 0.287 165 I C 0.090 176.149 176.117 -0.096 0.000 1.054 165 I CA -1.068 60.085 61.300 -0.244 0.000 1.218 165 I CB 0.575 38.236 38.000 -0.565 0.000 1.398 165 I HN 0.509 nan 8.210 nan 0.000 0.475 166 D N 7.143 127.520 120.400 -0.038 0.000 2.417 166 D HA 0.357 4.992 4.640 -0.008 0.000 0.250 166 D C 0.078 176.443 176.300 0.109 0.000 1.166 166 D CA 0.305 54.362 54.000 0.096 0.000 0.881 166 D CB 1.146 42.011 40.800 0.109 0.000 1.164 166 D HN 0.314 nan 8.370 nan 0.000 0.467 167 L N 4.330 125.695 121.223 0.237 0.000 2.333 167 L HA 0.390 4.726 4.340 -0.008 0.000 0.269 167 L C -1.464 175.638 176.870 0.386 0.000 1.010 167 L CA -1.783 53.218 54.840 0.269 0.000 0.818 167 L CB 2.499 44.705 42.059 0.245 0.000 1.306 167 L HN 0.197 nan 8.230 nan 0.000 0.430 168 P HA 0.053 nan 4.420 nan 0.000 0.245 168 P C -0.127 177.435 177.300 0.438 0.000 1.206 168 P CA 0.775 64.139 63.100 0.439 0.000 0.781 168 P CB 0.476 32.447 31.700 0.452 0.000 0.994 169 I N -5.038 115.784 120.570 0.420 0.000 3.343 169 I HA 0.527 4.693 4.170 -0.008 0.000 0.315 169 I C -1.007 175.194 176.117 0.140 0.000 1.153 169 I CA -1.724 59.756 61.300 0.300 0.000 0.952 169 I CB 2.276 40.371 38.000 0.158 0.000 1.287 169 I HN -0.502 nan 8.210 nan 0.000 0.472 170 V N 3.180 123.005 119.914 -0.148 0.000 2.318 170 V HA 0.324 4.440 4.120 -0.008 0.000 0.271 170 V C -2.100 173.918 176.094 -0.127 0.000 1.030 170 V CA -1.372 60.762 62.300 -0.278 0.000 0.844 170 V CB 0.799 32.361 31.823 -0.434 0.000 1.015 170 V HN 0.579 nan 8.190 nan 0.000 0.460 171 P HA 0.115 nan 4.420 nan 0.000 0.252 171 P C 0.575 177.773 177.300 -0.171 0.000 1.694 171 P CA 0.083 63.143 63.100 -0.067 0.000 1.163 171 P CB 0.809 32.532 31.700 0.038 0.000 1.934 172 A N 2.591 125.267 122.820 -0.240 0.000 2.169 172 A HA 0.394 4.710 4.320 -0.008 0.000 0.212 172 A C 1.107 178.430 177.584 -0.434 0.000 1.153 172 A CA 0.684 52.510 52.037 -0.352 0.000 0.756 172 A CB 0.048 18.788 19.000 -0.434 0.000 0.813 172 A HN 0.520 nan 8.150 nan 0.000 0.471 173 A N -1.166 121.316 122.820 -0.563 0.000 2.455 173 A HA 0.785 5.100 4.320 -0.008 0.000 0.300 173 A C -0.461 176.547 177.584 -0.961 0.000 1.040 173 A CA 0.149 51.647 52.037 -0.898 0.000 0.697 173 A CB 1.077 19.194 19.000 -1.472 0.000 1.265 173 A HN 1.575 nan 8.150 nan 0.000 0.407 174 A N 0.360 122.767 122.820 -0.689 0.000 2.610 174 A HA 1.068 5.383 4.320 -0.008 0.000 0.291 174 A C -0.581 176.907 177.584 -0.160 0.000 1.086 174 A CA -0.028 51.795 52.037 -0.357 0.000 0.677 174 A CB 1.124 20.067 19.000 -0.096 0.000 1.278 174 A HN 2.732 nan 8.150 nan 0.000 0.414 175 A N 0.260 123.078 122.820 -0.002 0.000 2.608 175 A HA 0.661 4.976 4.320 -0.008 0.000 0.292 175 A C -1.490 176.127 177.584 0.054 0.000 1.066 175 A CA -0.485 51.597 52.037 0.074 0.000 0.676 175 A CB 0.697 19.800 19.000 0.172 0.000 1.277 175 A HN 0.885 nan 8.150 nan 0.000 0.413 176 I N 1.195 121.819 120.570 0.089 0.000 2.396 176 I HA 0.253 4.418 4.170 -0.008 0.000 0.292 176 I C 0.305 176.432 176.117 0.017 0.000 0.999 176 I CA -0.106 61.243 61.300 0.081 0.000 1.310 176 I CB 0.996 39.147 38.000 0.251 0.000 1.404 176 I HN 0.713 nan 8.210 nan 0.000 0.496 177 E N 8.317 128.495 120.200 -0.037 0.000 1.941 177 E HA 0.129 4.474 4.350 -0.008 0.000 0.275 177 E C -1.433 175.009 176.600 -0.263 0.000 1.113 177 E CA -1.512 54.854 56.400 -0.056 0.000 0.878 177 E CB 0.769 30.481 29.700 0.019 0.000 1.070 177 E HN 0.384 nan 8.360 nan 0.000 0.399 178 P HA -0.290 nan 4.420 nan 0.000 0.216 178 P C 1.441 178.278 177.300 -0.772 0.000 1.154 178 P CA 1.701 64.126 63.100 -1.125 0.000 0.865 178 P CB 0.025 30.738 31.700 -1.645 0.000 0.789 179 T N -3.186 110.980 114.554 -0.647 0.000 2.995 179 T HA -0.013 4.333 4.350 -0.008 0.000 0.269 179 T C 1.833 176.396 174.700 -0.227 0.000 1.091 179 T CA 1.393 63.249 62.100 -0.407 0.000 1.128 179 T CB -0.813 67.869 68.868 -0.311 0.000 0.891 179 T HN 0.293 nan 8.240 nan 0.000 0.492 180 S N -0.506 115.078 115.700 -0.195 0.000 2.549 180 S HA 0.501 4.966 4.470 -0.008 0.000 0.225 180 S C 1.845 176.376 174.600 -0.114 0.000 1.039 180 S CA 0.430 58.555 58.200 -0.125 0.000 0.942 180 S CB -0.136 63.010 63.200 -0.090 0.000 0.881 180 S HN 1.212 nan 8.310 nan 0.000 0.503 181 G N 1.704 110.436 108.800 -0.113 0.000 2.143 181 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.248 181 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.248 181 G C 0.030 174.864 174.900 -0.111 0.000 0.991 181 G CA 0.090 45.148 45.100 -0.070 0.000 0.689 181 G HN 0.594 nan 8.290 nan 0.000 0.522 182 R N -0.772 119.661 120.500 -0.111 0.000 2.500 182 R HA 0.546 4.881 4.340 -0.008 0.000 0.277 182 R C 0.064 176.308 176.300 -0.092 0.000 1.026 182 R CA -0.694 55.329 56.100 -0.128 0.000 1.058 182 R CB 1.662 31.907 30.300 -0.092 0.000 1.078 182 R HN 0.061 nan 8.270 nan 0.000 0.509 183 V N 4.386 124.238 119.914 -0.102 0.000 2.368 183 V HA 0.132 4.248 4.120 -0.008 0.000 0.266 183 V C -0.301 175.774 176.094 -0.031 0.000 1.045 183 V CA -0.556 61.667 62.300 -0.128 0.000 0.899 183 V CB 0.955 32.546 31.823 -0.386 0.000 1.006 183 V HN 0.433 nan 8.190 nan 0.000 0.470 184 L N 7.399 128.618 121.223 -0.006 0.000 2.292 184 L HA 0.665 5.000 4.340 -0.008 0.000 0.284 184 L C -0.268 176.695 176.870 0.155 0.000 1.065 184 L CA 0.393 55.278 54.840 0.074 0.000 0.806 184 L CB 1.016 43.066 42.059 -0.014 0.000 1.175 184 L HN 0.634 nan 8.230 nan 0.000 0.431 185 M N 5.263 124.996 119.600 0.223 0.000 2.518 185 M HA 0.546 5.021 4.480 -0.008 0.000 0.300 185 M C -1.680 174.818 176.300 0.331 0.000 1.175 185 M CA -0.332 55.066 55.300 0.164 0.000 0.890 185 M CB 2.117 34.806 32.600 0.148 0.000 1.710 185 M HN 0.724 nan 8.290 nan 0.000 0.453 186 W N 0.573 121.911 121.300 0.064 0.000 3.217 186 W HA 0.786 5.441 4.660 -0.009 0.000 0.323 186 W C -0.412 176.128 176.519 0.034 0.000 1.216 186 W CA -0.620 56.750 57.345 0.041 0.000 1.194 186 W CB 0.295 29.758 29.460 0.006 0.000 1.397 186 W HN 0.724 nan 8.180 nan 0.000 0.537 187 S N 1.265 117.122 115.700 0.261 0.000 2.910 187 S HA 0.707 5.173 4.470 -0.008 0.000 0.167 187 S C 0.483 175.241 174.600 0.263 0.000 0.681 187 S CA 0.806 59.094 58.200 0.147 0.000 0.828 187 S CB 0.348 63.569 63.200 0.034 0.000 0.739 187 S HN 0.861 nan 8.310 nan 0.000 0.611 188 S N -1.022 114.780 115.700 0.169 0.000 3.497 188 S HA 0.354 4.820 4.470 -0.008 0.000 0.319 188 S C 0.375 175.087 174.600 0.187 0.000 1.195 188 S CA 0.167 58.498 58.200 0.218 0.000 1.118 188 S CB -0.530 62.761 63.200 0.151 0.000 1.495 188 S HN 0.692 nan 8.310 nan 0.000 0.655 189 Y N 1.723 122.053 120.300 0.051 0.000 2.373 189 Y HA 0.472 5.017 4.550 -0.007 0.000 0.293 189 Y C 0.813 176.727 175.900 0.025 0.000 1.129 189 Y CA 0.594 58.716 58.100 0.037 0.000 1.226 189 Y CB -0.234 38.248 38.460 0.037 0.000 1.000 189 Y HN 0.192 nan 8.280 nan 0.000 0.549 190 R N 1.202 121.341 120.500 -0.602 0.000 2.873 190 R HA 0.182 4.518 4.340 -0.008 0.000 0.264 190 R C 0.997 177.123 176.300 -0.290 0.000 1.026 190 R CA -0.098 55.668 56.100 -0.556 0.000 1.002 190 R CB 0.685 30.509 30.300 -0.793 0.000 1.174 190 R HN 0.307 nan 8.270 nan 0.000 0.488 191 N N 0.558 119.072 118.700 -0.309 0.000 2.331 191 N HA -0.153 4.583 4.740 -0.008 0.000 0.180 191 N C 0.307 175.736 175.510 -0.135 0.000 1.019 191 N CA 1.437 54.344 53.050 -0.239 0.000 0.881 191 N CB 0.046 38.188 38.487 -0.576 0.000 0.972 191 N HN 0.625 nan 8.380 nan 0.000 0.435 192 D N -1.319 118.982 120.400 -0.164 0.000 2.527 192 D HA 0.404 5.040 4.640 -0.008 0.000 0.224 192 D C -0.257 175.947 176.300 -0.161 0.000 1.217 192 D CA -0.487 53.433 54.000 -0.134 0.000 0.819 192 D CB 0.228 41.063 40.800 0.058 0.000 1.061 192 D HN 0.349 nan 8.370 nan 0.000 0.515 193 A N -0.206 122.491 122.820 -0.204 0.000 2.572 193 A HA 0.580 4.895 4.320 -0.008 0.000 0.295 193 A C -0.743 176.762 177.584 -0.132 0.000 1.072 193 A CA -0.875 51.038 52.037 -0.206 0.000 0.691 193 A CB 0.694 19.541 19.000 -0.254 0.000 1.291 193 A HN 0.116 nan 8.150 nan 0.000 0.404 194 F N 0.034 119.880 119.950 -0.174 0.000 2.699 194 F HA 0.499 5.021 4.527 -0.008 0.000 0.295 194 F C 1.079 176.951 175.800 0.120 0.000 1.052 194 F CA 0.036 57.956 58.000 -0.133 0.000 1.239 194 F CB -0.330 38.139 39.000 -0.885 0.000 1.018 194 F HN 0.705 nan 8.300 nan 0.000 0.627 195 G N 0.754 108.964 108.800 -0.983 0.000 2.313 195 G HA2 0.352 4.307 3.960 -0.008 0.000 0.250 195 G HA3 0.352 4.307 3.960 -0.008 0.000 0.250 195 G C 0.947 175.751 174.900 -0.159 0.000 1.281 195 G CA 0.181 44.918 45.100 -0.605 0.000 0.917 195 G HN 1.399 nan 8.290 nan 0.000 0.501 196 G N 0.673 109.387 108.800 -0.143 0.000 2.204 196 G HA2 -0.119 3.837 3.960 -0.008 0.000 0.244 196 G HA3 -0.119 3.837 3.960 -0.008 0.000 0.244 196 G C 0.485 175.114 174.900 -0.452 0.000 1.062 196 G CA 0.435 45.443 45.100 -0.153 0.000 0.798 196 G HN 1.434 nan 8.290 nan 0.000 0.496 197 S N 0.493 115.796 115.700 -0.661 0.000 2.545 197 S HA 0.638 5.104 4.470 -0.008 0.000 0.275 197 S C 0.140 174.419 174.600 -0.534 0.000 1.299 197 S CA -0.477 57.006 58.200 -1.195 0.000 1.048 197 S CB 1.260 64.051 63.200 -0.681 0.000 0.938 197 S HN 0.269 nan 8.310 nan 0.000 0.496 198 P HA 0.250 nan 4.420 nan 0.000 0.251 198 P C 0.693 177.935 177.300 -0.097 0.000 1.223 198 P CA 0.384 63.378 63.100 -0.177 0.000 0.796 198 P CB -0.576 31.064 31.700 -0.100 0.000 1.068 199 G N -0.206 108.534 108.800 -0.099 0.000 2.814 199 G HA2 0.131 4.086 3.960 -0.008 0.000 0.677 199 G HA3 0.131 4.086 3.960 -0.008 0.000 0.677 199 G C 0.504 175.423 174.900 0.031 0.000 1.429 199 G CA -0.121 44.977 45.100 -0.002 0.000 0.868 199 G HN 0.635 nan 8.290 nan 0.000 0.553 200 G N -1.296 107.541 108.800 0.062 0.000 2.162 200 G HA2 0.034 3.989 3.960 -0.008 0.000 0.260 200 G HA3 0.034 3.989 3.960 -0.008 0.000 0.260 200 G C 0.428 175.357 174.900 0.048 0.000 0.976 200 G CA 1.169 46.303 45.100 0.056 0.000 0.655 200 G HN 2.233 nan 8.290 nan 0.000 0.533 201 I N 0.068 120.674 120.570 0.060 0.000 2.692 201 I HA 0.667 4.832 4.170 -0.008 0.000 0.293 201 I C -1.119 175.024 176.117 0.043 0.000 1.200 201 I CA -0.586 60.744 61.300 0.050 0.000 1.036 201 I CB 2.172 40.231 38.000 0.098 0.000 1.258 201 I HN -0.003 nan 8.210 nan 0.000 0.421 202 T N 7.455 121.986 114.554 -0.038 0.000 2.928 202 T HA 0.451 4.797 4.350 -0.008 0.000 0.296 202 T C -0.891 173.794 174.700 -0.025 0.000 1.000 202 T CA -0.389 61.678 62.100 -0.056 0.000 0.989 202 T CB 1.547 70.261 68.868 -0.256 0.000 1.005 202 T HN 0.286 nan 8.240 nan 0.000 0.442 203 L N 4.330 125.591 121.223 0.063 0.000 2.281 203 L HA 0.505 4.840 4.340 -0.008 0.000 0.285 203 L C 1.001 177.963 176.870 0.153 0.000 1.074 203 L CA 0.158 55.061 54.840 0.105 0.000 0.817 203 L CB 0.770 42.900 42.059 0.117 0.000 1.168 203 L HN 0.858 nan 8.230 nan 0.000 0.434 204 T N -0.146 114.502 114.554 0.155 0.000 2.940 204 T HA 0.802 5.147 4.350 -0.008 0.000 0.288 204 T C -0.253 174.585 174.700 0.230 0.000 1.033 204 T CA -0.827 61.412 62.100 0.231 0.000 1.033 204 T CB 1.834 70.832 68.868 0.217 0.000 1.079 204 T HN 0.416 nan 8.240 nan 0.000 0.496 205 S N 0.156 116.004 115.700 0.247 0.000 2.546 205 S HA 0.673 5.138 4.470 -0.008 0.000 0.272 205 S C -1.189 173.537 174.600 0.211 0.000 1.140 205 S CA -0.641 57.693 58.200 0.224 0.000 0.920 205 S CB 1.545 64.884 63.200 0.231 0.000 1.083 205 S HN 0.854 nan 8.310 nan 0.000 0.476 206 S N 2.472 118.289 115.700 0.194 0.000 2.536 206 S HA 0.715 5.181 4.470 -0.008 0.000 0.298 206 S C -1.830 172.913 174.600 0.238 0.000 1.083 206 S CA -0.537 57.765 58.200 0.170 0.000 0.995 206 S CB 1.175 64.441 63.200 0.111 0.000 1.058 206 S HN 0.685 nan 8.310 nan 0.000 0.488 207 W N 3.048 124.343 121.300 -0.008 0.000 2.715 207 W HA 0.479 5.137 4.660 -0.003 0.000 0.331 207 W C -1.554 174.941 176.519 -0.040 0.000 1.031 207 W CA -0.705 56.636 57.345 -0.007 0.000 1.237 207 W CB 0.993 30.460 29.460 0.012 0.000 1.378 207 W HN 0.461 nan 8.180 nan 0.000 0.454 208 D N 7.640 127.671 120.400 -0.615 0.000 2.396 208 D HA 0.288 4.924 4.640 -0.008 0.000 0.225 208 D C -1.597 174.018 176.300 -1.142 0.000 1.121 208 D CA -2.295 51.310 54.000 -0.657 0.000 0.853 208 D CB 2.259 42.866 40.800 -0.322 0.000 1.043 208 D HN 0.103 nan 8.370 nan 0.000 0.500 209 P HA -0.159 nan 4.420 nan 0.000 0.217 209 P C 1.211 178.205 177.300 -0.509 0.000 1.148 209 P CA 1.128 63.513 63.100 -1.192 0.000 0.828 209 P CB 0.282 31.568 31.700 -0.690 0.000 0.783 210 S N -1.412 114.069 115.700 -0.366 0.000 2.357 210 S HA -0.116 4.350 4.470 -0.008 0.000 0.221 210 S C 1.945 176.456 174.600 -0.148 0.000 1.031 210 S CA 1.847 59.931 58.200 -0.194 0.000 0.982 210 S CB -1.884 61.231 63.200 -0.140 0.000 0.853 210 S HN 0.292 nan 8.310 nan 0.000 0.458 211 T N -2.648 111.799 114.554 -0.178 0.000 3.037 211 T HA 0.467 4.813 4.350 -0.008 0.000 0.251 211 T C 1.600 176.262 174.700 -0.062 0.000 1.079 211 T CA 0.721 62.760 62.100 -0.102 0.000 1.067 211 T CB -0.226 68.591 68.868 -0.085 0.000 0.948 211 T HN 1.131 nan 8.240 nan 0.000 0.496 212 G N 1.502 110.237 108.800 -0.108 0.000 2.153 212 G HA2 -0.216 3.739 3.960 -0.008 0.000 0.252 212 G HA3 -0.216 3.739 3.960 -0.008 0.000 0.252 212 G C -0.032 174.984 174.900 0.195 0.000 0.994 212 G CA 0.259 45.443 45.100 0.139 0.000 0.698 212 G HN 0.673 nan 8.290 nan 0.000 0.521 213 I N 0.565 121.174 120.570 0.065 0.000 2.365 213 I HA 0.410 4.575 4.170 -0.008 0.000 0.291 213 I C 0.460 176.694 176.117 0.194 0.000 1.004 213 I CA -0.874 60.485 61.300 0.098 0.000 1.311 213 I CB 1.797 39.815 38.000 0.029 0.000 1.401 213 I HN -0.117 nan 8.210 nan 0.000 0.491 214 V N 5.800 125.832 119.914 0.197 0.000 2.328 214 V HA 0.334 4.449 4.120 -0.008 0.000 0.278 214 V C -0.127 176.059 176.094 0.154 0.000 1.021 214 V CA -0.350 62.084 62.300 0.223 0.000 0.838 214 V CB 1.092 33.028 31.823 0.188 0.000 0.999 214 V HN 0.840 nan 8.190 nan 0.000 0.447 215 S N 2.423 118.215 115.700 0.154 0.000 2.561 215 S HA 0.692 5.157 4.470 -0.008 0.000 0.303 215 S C -0.940 173.751 174.600 0.152 0.000 1.110 215 S CA -1.048 57.230 58.200 0.130 0.000 1.034 215 S CB 1.597 64.856 63.200 0.099 0.000 1.010 215 S HN 0.847 nan 8.310 nan 0.000 0.482 216 D N 0.921 121.415 120.400 0.156 0.000 2.163 216 D HA 0.599 5.234 4.640 -0.008 0.000 0.248 216 D C -0.209 176.182 176.300 0.153 0.000 1.035 216 D CA -0.794 53.311 54.000 0.175 0.000 0.872 216 D CB 1.020 41.948 40.800 0.214 0.000 1.183 216 D HN 0.659 nan 8.370 nan 0.000 0.445 217 R N 0.834 121.430 120.500 0.159 0.000 2.686 217 R HA 0.540 4.876 4.340 -0.008 0.000 0.283 217 R C -1.326 175.047 176.300 0.122 0.000 0.978 217 R CA -0.677 55.508 56.100 0.141 0.000 0.897 217 R CB 1.861 32.258 30.300 0.162 0.000 1.192 217 R HN 0.488 nan 8.270 nan 0.000 0.457 218 T N 3.340 117.952 114.554 0.097 0.000 2.744 218 T HA 0.296 4.642 4.350 -0.008 0.000 0.291 218 T C -0.559 174.154 174.700 0.022 0.000 0.957 218 T CA -0.446 61.692 62.100 0.064 0.000 1.002 218 T CB 1.180 70.095 68.868 0.078 0.000 0.919 218 T HN 0.294 nan 8.240 nan 0.000 0.468 219 V N 4.496 124.370 119.914 -0.067 0.000 2.370 219 V HA 0.459 4.575 4.120 -0.008 0.000 0.279 219 V C 1.190 177.217 176.094 -0.111 0.000 1.029 219 V CA -0.455 61.755 62.300 -0.151 0.000 0.870 219 V CB 1.140 32.661 31.823 -0.504 0.000 0.984 219 V HN 1.140 nan 8.190 nan 0.000 0.451 220 T N 0.158 114.687 114.554 -0.042 0.000 3.080 220 T HA 0.024 4.369 4.350 -0.008 0.000 0.280 220 T C 1.260 175.968 174.700 0.013 0.000 0.926 220 T CA 0.628 62.723 62.100 -0.008 0.000 0.883 220 T CB 0.527 69.408 68.868 0.022 0.000 1.194 220 T HN 0.263 nan 8.240 nan 0.000 0.541 221 V N 3.520 123.450 119.914 0.026 0.000 2.626 221 V HA -0.044 4.072 4.120 -0.008 0.000 0.252 221 V C 2.384 178.514 176.094 0.061 0.000 1.067 221 V CA 2.446 64.780 62.300 0.057 0.000 1.081 221 V CB -0.590 31.288 31.823 0.092 0.000 0.686 221 V HN 0.855 nan 8.190 nan 0.000 0.468 222 T N -3.535 111.047 114.554 0.047 0.000 3.086 222 T HA 0.156 4.501 4.350 -0.008 0.000 0.250 222 T C 0.816 175.548 174.700 0.053 0.000 1.074 222 T CA 0.051 62.190 62.100 0.066 0.000 0.988 222 T CB -0.300 68.624 68.868 0.092 0.000 0.988 222 T HN 0.508 nan 8.240 nan 0.000 0.530 223 K N 1.294 121.718 120.400 0.040 0.000 3.311 223 K HA -0.240 4.075 4.320 -0.008 0.000 0.270 223 K C -0.306 176.344 176.600 0.082 0.000 0.927 223 K CA 0.647 56.960 56.287 0.042 0.000 0.706 223 K CB -2.059 30.458 32.500 0.027 0.000 1.418 223 K HN 0.848 nan 8.250 nan 0.000 0.459 224 H N 0.011 119.046 119.070 -0.059 0.000 2.782 224 H HA 0.166 4.717 4.556 -0.007 0.000 0.347 224 H C -1.331 173.955 175.328 -0.071 0.000 1.038 224 H CA -1.045 54.965 56.048 -0.064 0.000 1.255 224 H CB 1.365 31.069 29.762 -0.097 0.000 1.623 224 H HN 0.173 nan 8.280 nan 0.000 0.525 225 D N 5.914 126.400 120.400 0.143 0.000 2.456 225 D HA 0.078 4.713 4.640 -0.008 0.000 0.219 225 D C 0.464 176.703 176.300 -0.101 0.000 1.126 225 D CA -0.368 53.663 54.000 0.053 0.000 0.890 225 D CB 0.707 41.607 40.800 0.167 0.000 1.025 225 D HN 0.640 nan 8.370 nan 0.000 0.511 226 M N 3.576 122.963 119.600 -0.356 0.000 2.726 226 M HA 0.079 4.555 4.480 -0.008 0.000 0.211 226 M C 0.316 176.722 176.300 0.176 0.000 1.190 226 M CA -0.226 54.821 55.300 -0.421 0.000 1.000 226 M CB -0.306 31.801 32.600 -0.822 0.000 1.790 226 M HN 0.259 nan 8.290 nan 0.000 0.467 227 F N -0.186 119.838 119.950 0.123 0.000 2.429 227 F HA 0.154 4.676 4.527 -0.008 0.000 0.348 227 F C 0.881 176.755 175.800 0.122 0.000 1.109 227 F CA -0.424 57.676 58.000 0.168 0.000 1.232 227 F CB 0.523 39.633 39.000 0.185 0.000 1.157 227 F HN 0.250 nan 8.300 nan 0.000 0.564 228 C N 4.859 123.603 119.300 -0.927 0.000 4.350 228 C HA -0.127 4.328 4.460 -0.008 0.000 0.302 228 C C -2.251 172.572 174.990 -0.279 0.000 1.390 228 C CA 0.039 58.573 59.018 -0.806 0.000 2.016 228 C CB -2.887 24.380 27.740 -0.788 0.000 1.271 228 C HN 0.725 nan 8.230 nan 0.000 0.760 229 P HA 0.578 nan 4.420 nan 0.000 0.289 229 P C 0.018 177.327 177.300 0.016 0.000 1.300 229 P CA 0.272 63.386 63.100 0.023 0.000 0.828 229 P CB 1.044 32.833 31.700 0.148 0.000 1.235 230 G N -0.065 108.776 108.800 0.069 0.000 2.367 230 G HA2 0.651 4.607 3.960 -0.008 0.000 0.314 230 G HA3 0.651 4.607 3.960 -0.008 0.000 0.314 230 G C -0.687 174.300 174.900 0.145 0.000 1.130 230 G CA -0.765 44.379 45.100 0.072 0.000 0.864 230 G HN 0.383 nan 8.290 nan 0.000 0.486 231 I N 0.725 121.379 120.570 0.139 0.000 2.499 231 I HA 0.487 4.653 4.170 -0.008 0.000 0.288 231 I C -0.444 175.768 176.117 0.158 0.000 1.048 231 I CA -0.592 60.823 61.300 0.191 0.000 1.062 231 I CB 2.407 40.538 38.000 0.219 0.000 1.238 231 I HN 0.333 nan 8.210 nan 0.000 0.426 232 S N 5.908 121.714 115.700 0.176 0.000 2.543 232 S HA 0.467 4.933 4.470 -0.008 0.000 0.271 232 S C -0.795 173.900 174.600 0.160 0.000 1.148 232 S CA -0.637 57.658 58.200 0.158 0.000 0.914 232 S CB 2.302 65.605 63.200 0.172 0.000 1.096 232 S HN 0.685 nan 8.310 nan 0.000 0.471 233 M N 4.109 123.795 119.600 0.142 0.000 2.069 233 M HA 0.298 4.773 4.480 -0.008 0.000 0.349 233 M C -0.462 175.914 176.300 0.127 0.000 1.194 233 M CA -0.534 54.849 55.300 0.139 0.000 1.081 233 M CB -0.039 32.642 32.600 0.134 0.000 1.500 233 M HN 0.753 nan 8.290 nan 0.000 0.438 234 D N 3.520 123.999 120.400 0.131 0.000 2.372 234 D HA 0.142 4.777 4.640 -0.008 0.000 0.243 234 D C 1.242 177.587 176.300 0.076 0.000 1.297 234 D CA -0.039 54.032 54.000 0.120 0.000 0.958 234 D CB 0.230 41.122 40.800 0.153 0.000 1.114 234 D HN 0.660 nan 8.370 nan 0.000 0.496 235 G N -0.742 108.091 108.800 0.055 0.000 2.501 235 G HA2 -0.264 3.692 3.960 -0.008 0.000 0.220 235 G HA3 -0.264 3.692 3.960 -0.008 0.000 0.220 235 G C 1.011 175.901 174.900 -0.016 0.000 1.114 235 G CA 0.267 45.383 45.100 0.027 0.000 0.757 235 G HN 0.478 nan 8.290 nan 0.000 0.559 236 N N 0.305 118.997 118.700 -0.013 0.000 2.322 236 N HA 0.144 4.880 4.740 -0.008 0.000 0.194 236 N C 1.713 177.190 175.510 -0.054 0.000 1.126 236 N CA 0.797 53.823 53.050 -0.039 0.000 0.845 236 N CB 0.443 38.919 38.487 -0.018 0.000 0.976 236 N HN 0.379 nan 8.380 nan 0.000 0.475 237 G N 0.463 109.237 108.800 -0.043 0.000 2.179 237 G HA2 -0.284 3.672 3.960 -0.008 0.000 0.260 237 G HA3 -0.284 3.672 3.960 -0.008 0.000 0.260 237 G C 0.022 175.010 174.900 0.147 0.000 0.977 237 G CA -0.091 45.028 45.100 0.032 0.000 0.641 237 G HN 0.401 nan 8.290 nan 0.000 0.533 238 Q N -0.253 119.591 119.800 0.073 0.000 2.259 238 Q HA 0.613 4.949 4.340 -0.008 0.000 0.249 238 Q C 0.358 176.414 176.000 0.092 0.000 0.914 238 Q CA -0.454 55.374 55.803 0.041 0.000 0.904 238 Q CB 1.482 30.233 28.738 0.021 0.000 1.213 238 Q HN 0.454 nan 8.270 nan 0.000 0.428 239 I N 2.321 122.951 120.570 0.100 0.000 2.352 239 I HA 0.102 4.268 4.170 -0.008 0.000 0.290 239 I C -0.408 175.804 176.117 0.159 0.000 1.036 239 I CA -0.574 60.822 61.300 0.160 0.000 1.336 239 I CB 1.045 39.176 38.000 0.218 0.000 1.407 239 I HN 0.262 nan 8.210 nan 0.000 0.497 240 V N 7.998 128.008 119.914 0.159 0.000 2.320 240 V HA 0.164 4.280 4.120 -0.008 0.000 0.265 240 V C 0.218 176.430 176.094 0.195 0.000 1.048 240 V CA -0.548 61.830 62.300 0.130 0.000 0.865 240 V CB 0.914 32.776 31.823 0.064 0.000 1.043 240 V HN 0.385 nan 8.190 nan 0.000 0.474 241 V N 5.004 125.055 119.914 0.228 0.000 2.383 241 V HA 0.526 4.641 4.120 -0.008 0.000 0.275 241 V C 0.535 176.786 176.094 0.262 0.000 1.036 241 V CA -0.235 62.209 62.300 0.240 0.000 0.889 241 V CB 1.544 33.459 31.823 0.152 0.000 0.985 241 V HN 0.971 nan 8.190 nan 0.000 0.459 242 T N 1.577 116.269 114.554 0.231 0.000 2.841 242 T HA 0.769 5.115 4.350 -0.008 0.000 0.283 242 T C 0.485 175.284 174.700 0.164 0.000 1.000 242 T CA 0.133 62.344 62.100 0.184 0.000 0.977 242 T CB 1.565 70.475 68.868 0.072 0.000 0.979 242 T HN 1.571 nan 8.240 nan 0.000 0.446 243 G N 2.170 111.067 108.800 0.161 0.000 2.582 243 G HA2 0.228 4.184 3.960 -0.008 0.000 0.288 243 G HA3 0.228 4.184 3.960 -0.008 0.000 0.288 243 G C 0.658 175.732 174.900 0.291 0.000 1.247 243 G CA 0.936 46.133 45.100 0.162 0.000 0.972 243 G HN 2.626 nan 8.290 nan 0.000 0.557 244 G N -1.276 107.633 108.800 0.182 0.000 2.578 244 G HA2 -0.105 3.850 3.960 -0.008 0.000 0.232 244 G HA3 -0.105 3.850 3.960 -0.008 0.000 0.232 244 G C 0.857 175.934 174.900 0.296 0.000 1.176 244 G CA 0.783 46.005 45.100 0.205 0.000 0.968 244 G HN 1.684 nan 8.290 nan 0.000 0.583 245 N N 1.603 120.516 118.700 0.356 0.000 2.205 245 N HA 0.012 4.747 4.740 -0.008 0.000 0.186 245 N C 0.382 176.026 175.510 0.224 0.000 1.015 245 N CA 1.600 54.858 53.050 0.347 0.000 0.862 245 N CB -0.049 38.666 38.487 0.379 0.000 0.986 245 N HN 0.470 nan 8.380 nan 0.000 0.429 246 D N -0.194 120.356 120.400 0.250 0.000 2.485 246 D HA 0.253 4.888 4.640 -0.008 0.000 0.256 246 D C 0.398 176.761 176.300 0.105 0.000 1.141 246 D CA -0.185 53.915 54.000 0.167 0.000 0.942 246 D CB 0.822 41.746 40.800 0.208 0.000 1.003 246 D HN 0.054 nan 8.370 nan 0.000 0.507 247 A N 1.934 124.798 122.820 0.072 0.000 2.204 247 A HA -0.219 4.097 4.320 -0.008 0.000 0.220 247 A C 1.877 179.429 177.584 -0.053 0.000 1.165 247 A CA 1.467 53.518 52.037 0.025 0.000 0.671 247 A CB 0.030 19.040 19.000 0.015 0.000 0.792 247 A HN 0.276 nan 8.150 nan 0.000 0.473 248 K N -1.211 119.134 120.400 -0.092 0.000 2.402 248 K HA 0.090 4.405 4.320 -0.008 0.000 0.203 248 K C -0.205 176.269 176.600 -0.209 0.000 1.077 248 K CA -0.190 56.011 56.287 -0.143 0.000 1.051 248 K CB 0.358 32.801 32.500 -0.095 0.000 0.907 248 K HN 0.154 nan 8.250 nan 0.000 0.554 249 K N 1.186 121.397 120.400 -0.316 0.000 2.202 249 K HA 0.161 4.476 4.320 -0.008 0.000 0.264 249 K C -0.340 175.990 176.600 -0.449 0.000 1.010 249 K CA 0.135 56.119 56.287 -0.505 0.000 0.940 249 K CB 1.382 33.322 32.500 -0.933 0.000 0.983 249 K HN -0.148 nan 8.250 nan 0.000 0.475 250 T N 0.856 115.286 114.554 -0.208 0.000 2.890 250 T HA 0.280 4.626 4.350 -0.008 0.000 0.295 250 T C -0.614 174.149 174.700 0.106 0.000 0.993 250 T CA -0.628 61.493 62.100 0.036 0.000 0.979 250 T CB 1.029 70.010 68.868 0.188 0.000 0.967 250 T HN 0.305 nan 8.240 nan 0.000 0.441 251 S N 3.231 119.081 115.700 0.251 0.000 2.454 251 S HA 0.634 5.100 4.470 -0.008 0.000 0.306 251 S C -0.402 174.400 174.600 0.337 0.000 1.100 251 S CA -0.785 57.602 58.200 0.313 0.000 1.087 251 S CB 0.647 64.042 63.200 0.325 0.000 1.019 251 S HN 0.489 nan 8.310 nan 0.000 0.480 252 L N 3.389 124.796 121.223 0.307 0.000 2.307 252 L HA 0.512 4.847 4.340 -0.008 0.000 0.284 252 L C -1.004 175.922 176.870 0.093 0.000 1.023 252 L CA -0.896 54.055 54.840 0.184 0.000 0.810 252 L CB 0.859 42.975 42.059 0.095 0.000 1.231 252 L HN 0.653 nan 8.230 nan 0.000 0.423 253 Y N 2.193 122.325 120.300 -0.280 0.000 2.342 253 Y HA 0.326 4.871 4.550 -0.009 0.000 0.338 253 Y C -0.596 175.068 175.900 -0.393 0.000 0.965 253 Y CA -0.978 56.671 58.100 -0.753 0.000 1.159 253 Y CB 1.340 39.011 38.460 -1.315 0.000 1.157 253 Y HN 0.555 nan 8.280 nan 0.000 0.486 254 D N 3.598 123.371 120.400 -1.046 0.000 2.396 254 D HA 0.132 4.768 4.640 -0.008 0.000 0.225 254 D C 0.923 176.598 176.300 -1.041 0.000 1.121 254 D CA 0.196 53.747 54.000 -0.749 0.000 0.853 254 D CB 1.511 42.074 40.800 -0.396 0.000 1.043 254 D HN 0.589 nan 8.370 nan 0.000 0.500 255 S N 2.379 117.622 115.700 -0.761 0.000 2.370 255 S HA -0.175 4.290 4.470 -0.008 0.000 0.226 255 S C 1.862 176.277 174.600 -0.308 0.000 1.033 255 S CA 1.663 59.578 58.200 -0.475 0.000 1.011 255 S CB -0.039 62.995 63.200 -0.276 0.000 0.852 255 S HN 0.490 nan 8.310 nan 0.000 0.457 256 S N 1.115 116.674 115.700 -0.235 0.000 2.353 256 S HA -0.102 4.363 4.470 -0.008 0.000 0.222 256 S C 2.069 176.586 174.600 -0.139 0.000 1.035 256 S CA 1.735 59.848 58.200 -0.145 0.000 1.025 256 S CB -0.438 62.713 63.200 -0.081 0.000 0.902 256 S HN 0.861 nan 8.310 nan 0.000 0.440 257 S N 0.287 115.884 115.700 -0.173 0.000 2.556 257 S HA 0.156 4.621 4.470 -0.008 0.000 0.216 257 S C 0.236 174.752 174.600 -0.140 0.000 0.970 257 S CA 0.582 58.704 58.200 -0.130 0.000 0.912 257 S CB -0.209 62.925 63.200 -0.109 0.000 0.790 257 S HN 0.391 nan 8.310 nan 0.000 0.504 258 D N 1.653 121.916 120.400 -0.228 0.000 2.737 258 D HA -0.161 4.474 4.640 -0.008 0.000 0.238 258 D C -0.209 176.034 176.300 -0.096 0.000 1.157 258 D CA 0.993 54.903 54.000 -0.149 0.000 0.694 258 D CB -1.388 39.418 40.800 0.011 0.000 1.021 258 D HN 0.702 nan 8.370 nan 0.000 0.420 259 S N -0.723 114.803 115.700 -0.290 0.000 2.618 259 S HA 0.767 5.232 4.470 -0.008 0.000 0.277 259 S C -0.760 173.704 174.600 -0.227 0.000 1.138 259 S CA -1.182 56.949 58.200 -0.116 0.000 0.844 259 S CB 0.973 64.148 63.200 -0.042 0.000 1.127 259 S HN 0.239 nan 8.310 nan 0.000 0.474 260 W N 0.884 122.233 121.300 0.081 0.000 2.433 260 W HA 0.717 5.373 4.660 -0.007 0.000 0.315 260 W C -0.531 176.012 176.519 0.041 0.000 1.087 260 W CA -0.635 56.761 57.345 0.085 0.000 1.205 260 W CB 1.179 30.690 29.460 0.085 0.000 1.288 260 W HN 0.527 nan 8.180 nan 0.000 0.504 261 I N 4.906 125.626 120.570 0.250 0.000 2.465 261 I HA 0.331 4.496 4.170 -0.008 0.000 0.291 261 I C -2.220 173.999 176.117 0.171 0.000 1.014 261 I CA -2.604 58.790 61.300 0.157 0.000 1.093 261 I CB 1.873 39.921 38.000 0.079 0.000 1.267 261 I HN 0.011 nan 8.210 nan 0.000 0.431 262 P HA 0.130 nan 4.420 nan 0.000 0.268 262 P C -0.141 177.224 177.300 0.108 0.000 1.205 262 P CA -0.014 63.154 63.100 0.115 0.000 0.771 262 P CB 0.688 32.439 31.700 0.086 0.000 0.858 263 G N 2.861 111.723 108.800 0.104 0.000 2.568 263 G HA2 0.626 4.582 3.960 -0.008 0.000 0.313 263 G HA3 0.626 4.582 3.960 -0.008 0.000 0.313 263 G C -2.775 172.206 174.900 0.134 0.000 1.227 263 G CA -1.696 43.469 45.100 0.109 0.000 0.979 263 G HN 0.297 nan 8.290 nan 0.000 0.486 264 P HA 0.190 nan 4.420 nan 0.000 0.271 264 P C -0.838 176.639 177.300 0.295 0.000 1.218 264 P CA -0.319 62.931 63.100 0.250 0.000 0.780 264 P CB 1.144 33.037 31.700 0.322 0.000 0.901 265 D N 1.555 122.052 120.400 0.161 0.000 2.423 265 D HA 0.131 4.767 4.640 -0.008 0.000 0.238 265 D C 0.896 177.176 176.300 -0.033 0.000 1.142 265 D CA 0.404 54.423 54.000 0.032 0.000 0.884 265 D CB 0.220 41.017 40.800 -0.005 0.000 1.199 265 D HN 0.279 nan 8.370 nan 0.000 0.438 266 M N 1.448 120.828 119.600 -0.367 0.000 2.163 266 M HA 0.010 4.485 4.480 -0.008 0.000 0.305 266 M C 1.499 177.625 176.300 -0.290 0.000 1.166 266 M CA -0.339 54.507 55.300 -0.756 0.000 1.132 266 M CB 0.625 32.674 32.600 -0.919 0.000 1.413 266 M HN 0.241 nan 8.290 nan 0.000 0.478 267 Q N 0.307 119.977 119.800 -0.216 0.000 2.137 267 Q HA 0.087 4.423 4.340 -0.008 0.000 0.198 267 Q C -0.141 175.819 176.000 -0.067 0.000 0.960 267 Q CA 0.958 56.725 55.803 -0.061 0.000 0.847 267 Q CB 0.081 28.826 28.738 0.011 0.000 0.915 267 Q HN 0.501 nan 8.270 nan 0.000 0.448 268 V N 0.790 120.629 119.914 -0.125 0.000 2.540 268 V HA 0.537 4.653 4.120 -0.008 0.000 0.302 268 V C -0.398 175.626 176.094 -0.117 0.000 1.035 268 V CA -1.142 61.125 62.300 -0.055 0.000 0.873 268 V CB 1.552 33.360 31.823 -0.025 0.000 0.992 268 V HN 0.136 nan 8.190 nan 0.000 0.428 269 A N 5.860 128.658 122.820 -0.036 0.000 2.450 269 A HA 0.715 5.030 4.320 -0.008 0.000 0.255 269 A C 0.261 177.780 177.584 -0.109 0.000 1.096 269 A CA 0.034 52.032 52.037 -0.064 0.000 0.778 269 A CB 0.157 19.158 19.000 0.002 0.000 1.031 269 A HN 0.906 nan 8.150 nan 0.000 0.494 270 R N 0.740 121.169 120.500 -0.119 0.000 2.799 270 R HA 0.748 5.084 4.340 -0.008 0.000 0.270 270 R C -0.335 175.943 176.300 -0.037 0.000 1.010 270 R CA -0.498 55.528 56.100 -0.123 0.000 0.916 270 R CB 2.485 32.682 30.300 -0.172 0.000 1.228 270 R HN 0.979 nan 8.270 nan 0.000 0.469 271 G N 0.161 108.953 108.800 -0.012 0.000 2.759 271 G HA2 0.437 4.393 3.960 -0.008 0.000 0.297 271 G HA3 0.437 4.393 3.960 -0.008 0.000 0.297 271 G C -1.205 173.736 174.900 0.069 0.000 1.434 271 G CA -0.414 44.743 45.100 0.094 0.000 0.980 271 G HN 0.549 nan 8.290 nan 0.000 0.531 272 Y N -0.318 119.826 120.300 -0.261 0.000 4.409 272 Y HA -0.219 4.327 4.550 -0.007 0.000 0.228 272 Y C 1.506 177.265 175.900 -0.236 0.000 1.108 272 Y CA 0.518 58.416 58.100 -0.336 0.000 1.955 272 Y CB -2.019 36.160 38.460 -0.469 0.000 1.615 272 Y HN 0.877 nan 8.280 nan 0.000 0.665 273 Q N -0.342 119.444 119.800 -0.024 0.000 2.222 273 Q HA 0.648 4.983 4.340 -0.008 0.000 0.211 273 Q C -0.229 175.762 176.000 -0.014 0.000 1.013 273 Q CA -0.401 55.366 55.803 -0.061 0.000 0.993 273 Q CB 1.827 30.503 28.738 -0.103 0.000 1.151 273 Q HN 0.247 nan 8.270 nan 0.000 0.544 274 S N 0.403 116.088 115.700 -0.024 0.000 2.502 274 S HA 0.493 4.958 4.470 -0.008 0.000 0.304 274 S C -1.116 173.492 174.600 0.012 0.000 1.097 274 S CA -0.598 57.609 58.200 0.011 0.000 1.045 274 S CB 1.282 64.497 63.200 0.024 0.000 1.019 274 S HN 0.685 nan 8.310 nan 0.000 0.481 275 S N 1.986 117.720 115.700 0.056 0.000 2.503 275 S HA 0.912 5.377 4.470 -0.008 0.000 0.301 275 S C -0.649 174.037 174.600 0.143 0.000 1.087 275 S CA -0.860 57.409 58.200 0.114 0.000 1.042 275 S CB 1.745 65.041 63.200 0.161 0.000 1.043 275 S HN 0.876 nan 8.310 nan 0.000 0.489 276 A N 2.087 125.038 122.820 0.217 0.000 2.393 276 A HA 0.736 5.051 4.320 -0.008 0.000 0.306 276 A C -0.025 177.704 177.584 0.242 0.000 1.050 276 A CA -0.796 51.362 52.037 0.203 0.000 0.724 276 A CB 1.164 20.281 19.000 0.195 0.000 1.248 276 A HN 0.773 nan 8.150 nan 0.000 0.424 277 T N 3.555 118.228 114.554 0.199 0.000 2.870 277 T HA 0.390 4.735 4.350 -0.008 0.000 0.300 277 T C 0.571 175.392 174.700 0.201 0.000 0.989 277 T CA 0.527 62.742 62.100 0.192 0.000 1.139 277 T CB 0.011 68.975 68.868 0.160 0.000 0.920 277 T HN 0.579 nan 8.240 nan 0.000 0.537 278 M N 1.652 121.361 119.600 0.182 0.000 2.369 278 M HA 0.233 4.709 4.480 -0.008 0.000 0.291 278 M C 1.959 178.341 176.300 0.137 0.000 1.178 278 M CA -0.593 54.805 55.300 0.163 0.000 0.996 278 M CB 0.706 33.391 32.600 0.141 0.000 1.472 278 M HN 0.702 nan 8.290 nan 0.000 0.496 279 S N -0.599 115.170 115.700 0.115 0.000 2.500 279 S HA -0.138 4.328 4.470 -0.008 0.000 0.239 279 S C 0.703 175.338 174.600 0.057 0.000 0.989 279 S CA 1.386 59.633 58.200 0.079 0.000 0.951 279 S CB -0.712 62.507 63.200 0.031 0.000 0.759 279 S HN 0.818 nan 8.310 nan 0.000 0.523 280 D N -0.806 119.628 120.400 0.056 0.000 2.402 280 D HA 0.365 5.000 4.640 -0.008 0.000 0.216 280 D C 1.327 177.642 176.300 0.026 0.000 1.128 280 D CA 0.314 54.334 54.000 0.032 0.000 0.833 280 D CB -0.290 40.524 40.800 0.023 0.000 0.971 280 D HN 0.463 nan 8.370 nan 0.000 0.503 281 G N 0.321 109.151 108.800 0.050 0.000 2.217 281 G HA2 -0.323 3.632 3.960 -0.008 0.000 0.246 281 G HA3 -0.323 3.632 3.960 -0.008 0.000 0.246 281 G C 0.547 175.466 174.900 0.032 0.000 0.990 281 G CA -0.039 45.086 45.100 0.041 0.000 0.627 281 G HN 0.440 nan 8.290 nan 0.000 0.522 282 R N -0.439 120.075 120.500 0.023 0.000 2.738 282 R HA 0.559 4.895 4.340 -0.008 0.000 0.275 282 R C -0.097 176.265 176.300 0.104 0.000 1.121 282 R CA 0.010 56.111 56.100 0.002 0.000 1.207 282 R CB 0.807 31.099 30.300 -0.013 0.000 1.141 282 R HN 0.121 nan 8.270 nan 0.000 0.571 283 V N 1.776 121.765 119.914 0.126 0.000 2.540 283 V HA 0.321 4.436 4.120 -0.008 0.000 0.302 283 V C -0.898 175.394 176.094 0.331 0.000 1.035 283 V CA -0.641 61.795 62.300 0.227 0.000 0.873 283 V CB 1.406 33.369 31.823 0.233 0.000 0.992 283 V HN 0.496 nan 8.190 nan 0.000 0.428 284 F N 3.500 123.571 119.950 0.202 0.000 2.480 284 F HA 0.793 5.315 4.527 -0.008 0.000 0.329 284 F C 0.028 175.939 175.800 0.186 0.000 1.091 284 F CA 0.143 58.266 58.000 0.206 0.000 0.972 284 F CB 2.067 41.152 39.000 0.141 0.000 1.150 284 F HN 0.532 nan 8.300 nan 0.000 0.467 285 T N 6.714 120.907 114.554 -0.601 0.000 2.883 285 T HA 0.709 5.055 4.350 -0.008 0.000 0.301 285 T C -1.807 172.401 174.700 -0.820 0.000 1.158 285 T CA -0.541 61.267 62.100 -0.487 0.000 1.007 285 T CB 1.224 69.994 68.868 -0.163 0.000 1.186 285 T HN 0.750 nan 8.240 nan 0.000 0.499 286 I N 1.269 121.534 120.570 -0.507 0.000 2.882 286 I HA 0.583 4.749 4.170 -0.008 0.000 0.298 286 I C 0.180 176.143 176.117 -0.257 0.000 1.462 286 I CA 0.558 61.604 61.300 -0.423 0.000 1.000 286 I CB 1.624 39.325 38.000 -0.498 0.000 1.340 286 I HN 1.122 nan 8.210 nan 0.000 0.462 287 G N 3.492 112.162 108.800 -0.217 0.000 2.593 287 G HA2 0.317 4.273 3.960 -0.008 0.000 0.237 287 G HA3 0.317 4.273 3.960 -0.008 0.000 0.237 287 G C 0.410 175.190 174.900 -0.200 0.000 1.312 287 G CA -0.111 44.877 45.100 -0.186 0.000 0.896 287 G HN 2.382 nan 8.290 nan 0.000 0.574 288 G N -3.023 105.669 108.800 -0.181 0.000 2.956 288 G HA2 0.232 4.187 3.960 -0.008 0.000 0.263 288 G HA3 0.232 4.187 3.960 -0.008 0.000 0.263 288 G C 0.460 175.244 174.900 -0.194 0.000 1.090 288 G CA 0.719 45.722 45.100 -0.162 0.000 1.185 288 G HN 1.844 nan 8.290 nan 0.000 0.566 289 S N -0.095 115.483 115.700 -0.203 0.000 2.577 289 S HA 0.195 4.661 4.470 -0.008 0.000 0.219 289 S C 1.595 176.113 174.600 -0.137 0.000 0.962 289 S CA 0.417 58.501 58.200 -0.193 0.000 0.921 289 S CB -0.085 63.021 63.200 -0.156 0.000 0.789 289 S HN 0.746 nan 8.310 nan 0.000 0.497 290 F N 3.398 123.102 119.950 -0.410 0.000 2.216 290 F HA -0.001 4.522 4.527 -0.007 0.000 0.300 290 F C 0.936 176.641 175.800 -0.158 0.000 1.085 290 F CA 0.951 58.636 58.000 -0.526 0.000 1.326 290 F CB 0.072 38.389 39.000 -1.137 0.000 1.027 290 F HN 0.205 nan 8.300 nan 0.000 0.497 291 S N -1.948 113.673 115.700 -0.133 0.000 2.618 291 S HA 0.591 5.056 4.470 -0.008 0.000 0.277 291 S C 0.452 175.013 174.600 -0.065 0.000 1.138 291 S CA -0.392 57.732 58.200 -0.128 0.000 0.844 291 S CB 1.199 64.407 63.200 0.013 0.000 1.127 291 S HN 0.930 nan 8.310 nan 0.000 0.474 292 G N -0.433 108.347 108.800 -0.033 0.000 2.184 292 G HA2 0.338 4.294 3.960 -0.008 0.000 0.264 292 G HA3 0.338 4.294 3.960 -0.008 0.000 0.264 292 G C 1.179 176.134 174.900 0.091 0.000 0.975 292 G CA 0.394 45.502 45.100 0.012 0.000 0.642 292 G HN 2.657 nan 8.290 nan 0.000 0.536 293 G N -2.797 106.032 108.800 0.048 0.000 2.484 293 G HA2 0.397 4.352 3.960 -0.008 0.000 0.685 293 G HA3 0.397 4.352 3.960 -0.008 0.000 0.685 293 G C -0.803 174.097 174.900 -0.001 0.000 1.294 293 G CA -0.019 45.182 45.100 0.168 0.000 0.879 293 G HN 1.459 nan 8.290 nan 0.000 0.646 294 V N 2.057 122.044 119.914 0.122 0.000 2.304 294 V HA 0.813 4.928 4.120 -0.008 0.000 0.278 294 V C -0.009 176.179 176.094 0.157 0.000 1.018 294 V CA 0.226 62.539 62.300 0.022 0.000 0.814 294 V CB -0.375 31.483 31.823 0.058 0.000 1.021 294 V HN 1.446 nan 8.190 nan 0.000 0.440 295 F N 0.708 120.653 119.950 -0.010 0.000 2.858 295 F HA 0.556 5.078 4.527 -0.007 0.000 0.319 295 F C -0.411 175.381 175.800 -0.013 0.000 1.166 295 F CA -1.370 56.623 58.000 -0.011 0.000 0.899 295 F CB 1.169 40.160 39.000 -0.016 0.000 1.332 295 F HN 0.154 nan 8.300 nan 0.000 0.461 296 E N 1.906 122.227 120.200 0.201 0.000 2.161 296 E HA 0.107 4.453 4.350 -0.008 0.000 0.263 296 E C -1.008 175.633 176.600 0.069 0.000 1.185 296 E CA 0.032 56.480 56.400 0.081 0.000 0.938 296 E CB 0.449 30.212 29.700 0.105 0.000 1.023 296 E HN 0.392 nan 8.360 nan 0.000 0.433 297 K N 3.507 123.828 120.400 -0.132 0.000 2.299 297 K HA 0.216 4.532 4.320 -0.008 0.000 0.268 297 K C -0.299 176.246 176.600 -0.091 0.000 1.075 297 K CA -0.302 55.897 56.287 -0.147 0.000 0.936 297 K CB 0.809 33.109 32.500 -0.333 0.000 1.228 297 K HN 0.366 nan 8.250 nan 0.000 0.454 298 N N 0.194 118.881 118.700 -0.022 0.000 2.364 298 N HA 0.172 4.908 4.740 -0.008 0.000 0.264 298 N C 0.441 175.891 175.510 -0.099 0.000 1.263 298 N CA -0.521 52.519 53.050 -0.016 0.000 0.959 298 N CB 0.456 38.980 38.487 0.062 0.000 1.204 298 N HN 0.508 nan 8.380 nan 0.000 0.550 299 G N -0.706 108.036 108.800 -0.096 0.000 2.544 299 G HA2 0.320 4.275 3.960 -0.008 0.000 0.242 299 G HA3 0.320 4.275 3.960 -0.008 0.000 0.242 299 G C -0.692 174.136 174.900 -0.119 0.000 1.247 299 G CA -0.134 44.795 45.100 -0.286 0.000 0.840 299 G HN 0.703 nan 8.290 nan 0.000 0.578 300 E N -1.496 118.589 120.200 -0.192 0.000 2.413 300 E HA 0.568 4.914 4.350 -0.008 0.000 0.277 300 E C -1.913 174.850 176.600 0.272 0.000 0.958 300 E CA -1.077 55.379 56.400 0.094 0.000 0.779 300 E CB 2.331 32.085 29.700 0.089 0.000 1.278 300 E HN 0.548 nan 8.360 nan 0.000 0.456 301 V N 2.311 122.479 119.914 0.423 0.000 2.638 301 V HA 0.432 4.548 4.120 -0.008 0.000 0.306 301 V C -1.793 174.418 176.094 0.194 0.000 1.052 301 V CA -0.614 61.914 62.300 0.381 0.000 0.885 301 V CB 1.426 33.432 31.823 0.305 0.000 0.999 301 V HN 0.741 nan 8.190 nan 0.000 0.424 302 Y N 5.091 125.134 120.300 -0.428 0.000 2.308 302 Y HA 0.673 5.218 4.550 -0.008 0.000 0.329 302 Y C 0.266 175.901 175.900 -0.442 0.000 1.111 302 Y CA 0.016 57.516 58.100 -1.000 0.000 1.179 302 Y CB 1.826 39.079 38.460 -2.012 0.000 1.201 302 Y HN 0.673 nan 8.280 nan 0.000 0.483 303 S N 7.784 122.852 115.700 -1.052 0.000 2.474 303 S HA 0.400 4.865 4.470 -0.008 0.000 0.321 303 S C -2.075 171.837 174.600 -1.148 0.000 1.080 303 S CA -1.808 55.912 58.200 -0.800 0.000 1.106 303 S CB 1.178 64.146 63.200 -0.386 0.000 0.984 303 S HN 0.647 nan 8.310 nan 0.000 0.464 304 P HA -0.129 nan 4.420 nan 0.000 0.215 304 P C 1.666 178.801 177.300 -0.275 0.000 1.153 304 P CA 1.256 64.058 63.100 -0.497 0.000 0.853 304 P CB 0.031 31.616 31.700 -0.192 0.000 0.788 305 S N -0.225 115.337 115.700 -0.231 0.000 2.343 305 S HA -0.156 4.309 4.470 -0.008 0.000 0.219 305 S C 2.090 176.618 174.600 -0.121 0.000 1.033 305 S CA 1.896 60.013 58.200 -0.137 0.000 1.014 305 S CB -1.751 61.384 63.200 -0.109 0.000 0.915 305 S HN 0.254 nan 8.310 nan 0.000 0.435 306 S N 0.499 116.108 115.700 -0.151 0.000 2.558 306 S HA 0.228 4.694 4.470 -0.008 0.000 0.217 306 S C 0.325 174.873 174.600 -0.086 0.000 0.975 306 S CA -0.017 58.124 58.200 -0.098 0.000 0.912 306 S CB -0.482 62.669 63.200 -0.082 0.000 0.776 306 S HN 0.309 nan 8.310 nan 0.000 0.526 307 K N 2.105 122.413 120.400 -0.152 0.000 3.244 307 K HA -0.116 4.199 4.320 -0.008 0.000 0.270 307 K C -0.007 176.615 176.600 0.037 0.000 1.016 307 K CA 1.305 57.572 56.287 -0.033 0.000 0.754 307 K CB -2.759 29.774 32.500 0.056 0.000 1.326 307 K HN 0.906 nan 8.250 nan 0.000 0.465 308 T N -3.756 110.759 114.554 -0.065 0.000 2.896 308 T HA 0.707 5.053 4.350 -0.008 0.000 0.297 308 T C -0.802 173.935 174.700 0.062 0.000 1.108 308 T CA -0.894 61.242 62.100 0.059 0.000 1.004 308 T CB 1.758 70.650 68.868 0.040 0.000 1.159 308 T HN 0.274 nan 8.240 nan 0.000 0.499 309 W N 1.079 122.481 121.300 0.169 0.000 2.471 309 W HA 0.561 5.216 4.660 -0.008 0.000 0.318 309 W C -0.401 176.177 176.519 0.100 0.000 1.034 309 W CA -0.523 56.923 57.345 0.167 0.000 1.224 309 W CB 2.344 31.886 29.460 0.137 0.000 1.335 309 W HN 0.699 nan 8.180 nan 0.000 0.452 310 T N 2.454 117.224 114.554 0.360 0.000 2.792 310 T HA 0.213 4.559 4.350 -0.008 0.000 0.280 310 T C -0.149 174.689 174.700 0.230 0.000 0.990 310 T CA -0.583 61.657 62.100 0.233 0.000 0.960 310 T CB 1.501 70.463 68.868 0.157 0.000 0.939 310 T HN 0.262 nan 8.240 nan 0.000 0.439 311 S N 2.910 118.712 115.700 0.170 0.000 2.549 311 S HA 0.357 4.822 4.470 -0.008 0.000 0.279 311 S C -0.005 174.679 174.600 0.140 0.000 1.321 311 S CA -0.566 57.714 58.200 0.133 0.000 1.054 311 S CB -0.134 63.123 63.200 0.096 0.000 0.899 311 S HN 0.581 nan 8.310 nan 0.000 0.497 312 L N 7.793 129.104 121.223 0.146 0.000 2.581 312 L HA 0.314 4.650 4.340 -0.008 0.000 0.241 312 L C -1.441 175.525 176.870 0.160 0.000 1.265 312 L CA -1.637 53.310 54.840 0.179 0.000 0.954 312 L CB 1.343 43.562 42.059 0.266 0.000 1.269 312 L HN 0.570 nan 8.230 nan 0.000 0.475 313 P HA -0.199 nan 4.420 nan 0.000 0.217 313 P C 0.678 178.058 177.300 0.135 0.000 1.148 313 P CA 1.417 64.585 63.100 0.114 0.000 0.828 313 P CB 0.267 32.023 31.700 0.092 0.000 0.783 314 N N -0.105 118.685 118.700 0.150 0.000 2.521 314 N HA 0.037 4.772 4.740 -0.008 0.000 0.188 314 N C 0.780 176.424 175.510 0.224 0.000 1.146 314 N CA 0.351 53.497 53.050 0.160 0.000 0.893 314 N CB -0.268 38.299 38.487 0.134 0.000 0.975 314 N HN 0.127 nan 8.380 nan 0.000 0.451 315 A N 1.676 124.667 122.820 0.284 0.000 3.004 315 A HA 0.115 4.430 4.320 -0.008 0.000 0.286 315 A C 0.204 178.025 177.584 0.394 0.000 1.632 315 A CA -0.425 51.878 52.037 0.443 0.000 1.339 315 A CB -0.121 19.197 19.000 0.529 0.000 1.136 315 A HN -0.143 nan 8.150 nan 0.000 0.577 316 K N 1.085 121.692 120.400 0.345 0.000 2.447 316 K HA 0.009 4.324 4.320 -0.008 0.000 0.281 316 K C 1.151 177.942 176.600 0.318 0.000 1.031 316 K CA -0.012 56.429 56.287 0.257 0.000 1.019 316 K CB 1.494 34.101 32.500 0.178 0.000 0.918 316 K HN 0.325 nan 8.250 nan 0.000 0.476 317 V N 3.839 123.860 119.914 0.179 0.000 2.719 317 V HA -0.180 3.935 4.120 -0.008 0.000 0.252 317 V C 2.078 178.241 176.094 0.115 0.000 1.065 317 V CA 1.328 63.707 62.300 0.132 0.000 1.086 317 V CB -0.370 31.460 31.823 0.012 0.000 0.700 317 V HN 0.759 nan 8.190 nan 0.000 0.467 318 N N 1.298 120.055 118.700 0.094 0.000 2.049 318 N HA -0.152 4.583 4.740 -0.008 0.000 0.198 318 N C -0.454 175.083 175.510 0.046 0.000 1.030 318 N CA 2.377 55.463 53.050 0.060 0.000 0.870 318 N CB -1.108 37.413 38.487 0.056 0.000 1.045 318 N HN 0.444 nan 8.380 nan 0.000 0.434 319 P HA -0.124 nan 4.420 nan 0.000 0.225 319 P C 1.356 178.650 177.300 -0.012 0.000 1.148 319 P CA 1.171 64.277 63.100 0.011 0.000 0.779 319 P CB -0.301 31.395 31.700 -0.008 0.000 0.780 320 M N -2.901 116.715 119.600 0.026 0.000 2.428 320 M HA 0.216 4.692 4.480 -0.008 0.000 0.239 320 M C 0.383 176.649 176.300 -0.056 0.000 1.121 320 M CA 0.206 55.495 55.300 -0.018 0.000 1.019 320 M CB -0.372 32.265 32.600 0.062 0.000 1.485 320 M HN -0.306 nan 8.290 nan 0.000 0.484 321 L N 3.090 124.293 121.223 -0.034 0.000 2.455 321 L HA 0.213 4.548 4.340 -0.008 0.000 0.272 321 L C 0.949 177.784 176.870 -0.059 0.000 1.174 321 L CA -0.379 54.434 54.840 -0.044 0.000 0.869 321 L CB 0.573 42.620 42.059 -0.021 0.000 1.130 321 L HN 0.406 nan 8.230 nan 0.000 0.474 322 T N -0.198 114.317 114.554 -0.066 0.000 2.771 322 T HA 0.426 4.772 4.350 -0.008 0.000 0.290 322 T C 0.550 175.231 174.700 -0.032 0.000 1.005 322 T CA -0.305 61.756 62.100 -0.065 0.000 0.944 322 T CB 1.188 70.016 68.868 -0.067 0.000 1.147 322 T HN 0.639 nan 8.240 nan 0.000 0.534 323 A N 0.236 123.042 122.820 -0.024 0.000 3.003 323 A HA 0.276 4.591 4.320 -0.008 0.000 0.301 323 A C 0.432 178.020 177.584 0.008 0.000 1.280 323 A CA -0.566 51.467 52.037 -0.007 0.000 0.973 323 A CB -0.808 18.186 19.000 -0.010 0.000 1.110 323 A HN 0.853 nan 8.150 nan 0.000 0.590 324 D N 0.741 121.152 120.400 0.018 0.000 2.493 324 D HA 0.014 4.649 4.640 -0.008 0.000 0.240 324 D C 0.793 177.122 176.300 0.048 0.000 1.142 324 D CA 0.443 54.470 54.000 0.044 0.000 0.872 324 D CB 0.799 41.641 40.800 0.070 0.000 1.173 324 D HN 0.344 nan 8.370 nan 0.000 0.467 325 K N 1.998 122.430 120.400 0.052 0.000 2.280 325 K HA -0.156 4.159 4.320 -0.008 0.000 0.202 325 K C 1.521 178.155 176.600 0.057 0.000 1.047 325 K CA 0.945 57.260 56.287 0.047 0.000 0.942 325 K CB 0.172 32.698 32.500 0.043 0.000 0.739 325 K HN 0.490 nan 8.250 nan 0.000 0.457 326 Q N -0.056 119.794 119.800 0.084 0.000 2.365 326 Q HA 0.080 4.415 4.340 -0.008 0.000 0.203 326 Q C 0.638 176.699 176.000 0.101 0.000 0.929 326 Q CA 0.114 55.979 55.803 0.103 0.000 0.948 326 Q CB 0.569 29.408 28.738 0.168 0.000 1.043 326 Q HN 0.409 nan 8.270 nan 0.000 0.505 327 G N 1.109 109.952 108.800 0.072 0.000 2.569 327 G HA2 -0.350 3.606 3.960 -0.008 0.000 0.259 327 G HA3 -0.350 3.606 3.960 -0.008 0.000 0.259 327 G C 0.273 175.209 174.900 0.061 0.000 1.263 327 G CA -0.083 45.051 45.100 0.057 0.000 0.928 327 G HN 0.277 nan 8.290 nan 0.000 0.572 328 L N -0.410 120.842 121.223 0.049 0.000 2.261 328 L HA 0.012 4.347 4.340 -0.008 0.000 0.216 328 L C 2.453 179.343 176.870 0.034 0.000 1.114 328 L CA 2.836 57.692 54.840 0.027 0.000 0.777 328 L CB -0.906 41.163 42.059 0.018 0.000 0.910 328 L HN 0.721 nan 8.230 nan 0.000 0.440 329 Y N 0.007 120.270 120.300 -0.061 0.000 2.207 329 Y HA -0.240 4.305 4.550 -0.007 0.000 0.287 329 Y C 2.232 178.083 175.900 -0.082 0.000 1.156 329 Y CA 1.802 59.849 58.100 -0.088 0.000 1.182 329 Y CB 0.017 38.424 38.460 -0.087 0.000 0.979 329 Y HN 0.147 nan 8.280 nan 0.000 0.521 330 R N -1.124 119.307 120.500 -0.114 0.000 2.257 330 R HA 0.096 4.432 4.340 -0.008 0.000 0.195 330 R C 2.430 178.711 176.300 -0.031 0.000 0.921 330 R CA 0.939 56.955 56.100 -0.140 0.000 1.069 330 R CB -0.930 29.376 30.300 0.009 0.000 1.115 330 R HN 0.423 nan 8.270 nan 0.000 0.571 331 S N 2.060 117.751 115.700 -0.014 0.000 2.440 331 S HA -0.145 4.321 4.470 -0.008 0.000 0.238 331 S C 1.114 175.678 174.600 -0.059 0.000 1.010 331 S CA 1.666 59.853 58.200 -0.022 0.000 0.972 331 S CB -0.214 62.979 63.200 -0.012 0.000 0.774 331 S HN 0.332 nan 8.310 nan 0.000 0.501 332 D N 0.122 120.470 120.400 -0.086 0.000 2.363 332 D HA 0.128 4.764 4.640 -0.008 0.000 0.214 332 D C 0.009 176.228 176.300 -0.136 0.000 1.093 332 D CA -0.445 53.492 54.000 -0.106 0.000 0.837 332 D CB -1.048 39.683 40.800 -0.114 0.000 0.948 332 D HN 0.497 nan 8.370 nan 0.000 0.507 333 N N 1.022 119.626 118.700 -0.160 0.000 2.444 333 N HA -0.009 4.726 4.740 -0.008 0.000 0.255 333 N C -0.331 175.046 175.510 -0.223 0.000 1.255 333 N CA -0.433 52.444 53.050 -0.288 0.000 0.933 333 N CB 0.211 38.460 38.487 -0.396 0.000 1.143 333 N HN 0.114 nan 8.380 nan 0.000 0.453 334 H N -1.505 117.577 119.070 0.021 0.000 2.355 334 H HA -0.194 4.358 4.556 -0.007 0.000 0.324 334 H C -0.013 175.339 175.328 0.039 0.000 1.015 334 H CA 0.239 56.297 56.048 0.016 0.000 1.101 334 H CB -2.018 27.772 29.762 0.046 0.000 1.555 334 H HN 0.583 nan 8.280 nan 0.000 0.386 335 A N 0.219 123.072 122.820 0.056 0.000 2.498 335 A HA 0.130 4.446 4.320 -0.008 0.000 0.239 335 A C 0.304 177.968 177.584 0.134 0.000 1.068 335 A CA -0.236 51.800 52.037 -0.002 0.000 0.766 335 A CB 0.229 19.204 19.000 -0.042 0.000 1.003 335 A HN 0.414 nan 8.150 nan 0.000 0.497 336 W N 3.500 124.734 121.300 -0.109 0.000 2.081 336 W HA 0.399 5.055 4.660 -0.006 0.000 0.433 336 W C -0.424 175.934 176.519 -0.269 0.000 0.876 336 W CA -0.581 56.653 57.345 -0.185 0.000 1.631 336 W CB -1.041 28.381 29.460 -0.064 0.000 1.757 336 W HN 0.348 nan 8.180 nan 0.000 0.298 337 L N 2.694 123.823 121.223 -0.156 0.000 2.357 337 L HA 0.582 4.918 4.340 -0.008 0.000 0.273 337 L C -0.467 176.144 176.870 -0.432 0.000 1.080 337 L CA -0.636 54.120 54.840 -0.140 0.000 0.803 337 L CB 0.684 42.760 42.059 0.027 0.000 1.174 337 L HN -0.049 nan 8.230 nan 0.000 0.443 338 F N -0.054 120.012 119.950 0.194 0.000 2.585 338 F HA 0.406 4.928 4.527 -0.008 0.000 0.319 338 F C 0.715 176.681 175.800 0.278 0.000 1.165 338 F CA -0.711 57.419 58.000 0.217 0.000 0.949 338 F CB 1.835 40.950 39.000 0.192 0.000 1.218 338 F HN 0.454 nan 8.300 nan 0.000 0.453 339 G N 2.893 111.960 108.800 0.445 0.000 2.365 339 G HA2 0.170 4.125 3.960 -0.008 0.000 0.249 339 G HA3 0.170 4.125 3.960 -0.008 0.000 0.249 339 G C -0.883 174.364 174.900 0.579 0.000 1.288 339 G CA -0.141 45.202 45.100 0.404 0.000 0.887 339 G HN 0.744 nan 8.290 nan 0.000 0.524 340 W N 1.579 123.017 121.300 0.230 0.000 3.698 340 W HA 0.436 5.091 4.660 -0.009 0.000 0.348 340 W C -0.208 176.405 176.519 0.157 0.000 1.157 340 W CA -0.917 56.562 57.345 0.222 0.000 0.951 340 W CB 1.161 30.822 29.460 0.334 0.000 1.671 340 W HN 0.329 nan 8.180 nan 0.000 0.615 341 K N 1.916 122.034 120.400 -0.471 0.000 2.414 341 K HA -0.006 4.309 4.320 -0.008 0.000 0.272 341 K C -0.107 176.451 176.600 -0.070 0.000 0.993 341 K CA 0.510 56.577 56.287 -0.366 0.000 0.964 341 K CB 0.159 32.345 32.500 -0.523 0.000 0.925 341 K HN 0.282 nan 8.250 nan 0.000 0.487 342 K N 0.781 121.147 120.400 -0.057 0.000 3.156 342 K HA -0.278 4.038 4.320 -0.008 0.000 0.266 342 K C 0.659 177.298 176.600 0.065 0.000 0.966 342 K CA 0.394 56.687 56.287 0.009 0.000 0.719 342 K CB -2.138 30.373 32.500 0.018 0.000 1.333 342 K HN 1.150 nan 8.250 nan 0.000 0.468 343 G N -0.469 108.371 108.800 0.067 0.000 2.189 343 G HA2 -0.414 3.541 3.960 -0.008 0.000 0.267 343 G HA3 -0.414 3.541 3.960 -0.008 0.000 0.267 343 G C 0.239 175.192 174.900 0.088 0.000 0.975 343 G CA 0.599 45.752 45.100 0.087 0.000 0.644 343 G HN 1.006 nan 8.290 nan 0.000 0.537 344 S N -1.099 114.670 115.700 0.116 0.000 2.603 344 S HA 0.700 5.166 4.470 -0.008 0.000 0.268 344 S C -0.073 174.647 174.600 0.199 0.000 1.317 344 S CA 0.008 58.271 58.200 0.105 0.000 1.012 344 S CB 2.488 65.781 63.200 0.154 0.000 0.926 344 S HN 1.137 nan 8.310 nan 0.000 0.539 345 V N 2.440 122.440 119.914 0.143 0.000 2.623 345 V HA 0.452 4.567 4.120 -0.008 0.000 0.304 345 V C -1.047 175.198 176.094 0.251 0.000 1.054 345 V CA -0.715 61.688 62.300 0.171 0.000 0.882 345 V CB 1.386 33.123 31.823 -0.142 0.000 1.002 345 V HN 0.899 nan 8.190 nan 0.000 0.424 346 F N 4.382 124.394 119.950 0.102 0.000 2.410 346 F HA 0.484 5.007 4.527 -0.008 0.000 0.349 346 F C 0.276 176.075 175.800 -0.001 0.000 1.117 346 F CA -0.020 57.859 58.000 -0.202 0.000 1.104 346 F CB 1.277 39.988 39.000 -0.481 0.000 1.122 346 F HN 0.515 nan 8.300 nan 0.000 0.483 347 Q N 6.025 125.339 119.800 -0.810 0.000 2.430 347 Q HA 0.400 4.735 4.340 -0.008 0.000 0.245 347 Q C -0.155 175.302 176.000 -0.905 0.000 1.021 347 Q CA -0.109 55.397 55.803 -0.495 0.000 0.867 347 Q CB 1.605 30.271 28.738 -0.120 0.000 1.210 347 Q HN 0.967 nan 8.270 nan 0.000 0.487 348 A N 2.950 125.517 122.820 -0.421 0.000 2.072 348 A HA 0.410 4.725 4.320 -0.008 0.000 0.216 348 A C 0.843 178.377 177.584 -0.082 0.000 1.156 348 A CA 1.194 53.198 52.037 -0.054 0.000 0.701 348 A CB 0.209 19.589 19.000 0.633 0.000 0.816 348 A HN 0.812 nan 8.150 nan 0.000 0.458 349 G N -2.048 106.499 108.800 -0.422 0.000 2.356 349 G HA2 0.344 4.299 3.960 -0.008 0.000 0.281 349 G HA3 0.344 4.299 3.960 -0.008 0.000 0.281 349 G C -2.626 171.466 174.900 -1.346 0.000 1.246 349 G CA 0.243 44.617 45.100 -1.211 0.000 0.889 349 G HN -0.178 nan 8.290 nan 0.000 0.486 350 P HA 0.052 nan 4.420 nan 0.000 0.230 350 P C 1.151 177.999 177.300 -0.753 0.000 1.158 350 P CA 1.157 63.377 63.100 -1.466 0.000 0.769 350 P CB -0.094 31.240 31.700 -0.611 0.000 0.807 351 S N -0.913 114.467 115.700 -0.533 0.000 2.573 351 S HA 0.053 4.519 4.470 -0.008 0.000 0.277 351 S C 1.354 175.777 174.600 -0.295 0.000 1.346 351 S CA 0.039 58.050 58.200 -0.314 0.000 1.034 351 S CB -0.047 63.018 63.200 -0.225 0.000 0.879 351 S HN -0.016 nan 8.310 nan 0.000 0.528 352 T N 1.948 116.391 114.554 -0.186 0.000 2.746 352 T HA 0.033 4.379 4.350 -0.008 0.000 0.267 352 T C 1.014 175.629 174.700 -0.142 0.000 1.039 352 T CA 1.404 63.419 62.100 -0.142 0.000 1.142 352 T CB -0.656 68.160 68.868 -0.086 0.000 0.866 352 T HN 0.988 nan 8.240 nan 0.000 0.444 353 A N 1.777 124.516 122.820 -0.136 0.000 2.409 353 A HA 0.573 4.889 4.320 -0.008 0.000 0.267 353 A C 0.071 177.544 177.584 -0.186 0.000 1.127 353 A CA -0.148 51.814 52.037 -0.126 0.000 0.795 353 A CB -0.166 18.776 19.000 -0.096 0.000 1.061 353 A HN 0.406 nan 8.150 nan 0.000 0.502 354 M N 2.924 122.409 119.600 -0.191 0.000 2.423 354 M HA 0.387 4.862 4.480 -0.008 0.000 0.335 354 M C -0.167 175.921 176.300 -0.353 0.000 1.177 354 M CA -0.285 54.819 55.300 -0.326 0.000 1.038 354 M CB 1.510 33.951 32.600 -0.265 0.000 1.641 354 M HN 0.772 nan 8.290 nan 0.000 0.455 355 N N 0.564 118.926 118.700 -0.564 0.000 2.647 355 N HA 0.436 5.171 4.740 -0.008 0.000 0.266 355 N C -2.091 173.031 175.510 -0.647 0.000 1.373 355 N CA -0.573 52.184 53.050 -0.489 0.000 0.807 355 N CB 1.815 40.022 38.487 -0.468 0.000 1.513 355 N HN 0.588 nan 8.380 nan 0.000 0.505 356 W N 0.867 121.990 121.300 -0.294 0.000 2.429 356 W HA 0.432 5.088 4.660 -0.008 0.000 0.314 356 W C -0.716 175.491 176.519 -0.520 0.000 1.062 356 W CA -0.509 56.668 57.345 -0.280 0.000 1.211 356 W CB 0.763 30.120 29.460 -0.170 0.000 1.305 356 W HN 0.352 nan 8.180 nan 0.000 0.476 357 Y N 2.776 123.016 120.300 -0.099 0.000 2.341 357 Y HA 0.376 4.921 4.550 -0.008 0.000 0.337 357 Y C -0.519 175.170 175.900 -0.351 0.000 1.014 357 Y CA -1.091 56.909 58.100 -0.166 0.000 1.111 357 Y CB 0.927 39.236 38.460 -0.252 0.000 1.194 357 Y HN 0.257 nan 8.280 nan 0.000 0.462 358 Y N 0.345 120.757 120.300 0.187 0.000 2.377 358 Y HA 0.304 4.850 4.550 -0.007 0.000 0.339 358 Y C 1.035 177.003 175.900 0.114 0.000 1.011 358 Y CA -0.865 57.308 58.100 0.121 0.000 1.093 358 Y CB 1.806 40.331 38.460 0.108 0.000 1.201 358 Y HN 0.631 nan 8.280 nan 0.000 0.455 359 T N -3.066 111.618 114.554 0.216 0.000 3.092 359 T HA 0.118 4.463 4.350 -0.008 0.000 0.258 359 T C 0.300 175.113 174.700 0.188 0.000 1.031 359 T CA -0.297 61.925 62.100 0.203 0.000 0.925 359 T CB -0.374 68.590 68.868 0.160 0.000 1.036 359 T HN 0.482 nan 8.240 nan 0.000 0.544 360 S N 0.592 116.401 115.700 0.181 0.000 2.584 360 S HA 0.649 5.114 4.470 -0.008 0.000 0.273 360 S C 1.223 175.895 174.600 0.119 0.000 1.311 360 S CA -0.094 58.183 58.200 0.128 0.000 1.034 360 S CB 0.697 63.957 63.200 0.100 0.000 0.939 360 S HN 1.066 nan 8.310 nan 0.000 0.513 361 G N 2.195 111.051 108.800 0.094 0.000 2.583 361 G HA2 -0.286 3.670 3.960 -0.008 0.000 0.292 361 G HA3 -0.286 3.670 3.960 -0.008 0.000 0.292 361 G C 0.616 175.582 174.900 0.110 0.000 1.203 361 G CA 0.185 45.336 45.100 0.086 0.000 0.987 361 G HN 1.306 nan 8.290 nan 0.000 0.554 362 S N 2.062 117.829 115.700 0.111 0.000 2.614 362 S HA 0.503 4.969 4.470 -0.008 0.000 0.230 362 S C 0.997 175.698 174.600 0.168 0.000 0.952 362 S CA 1.413 59.690 58.200 0.128 0.000 0.949 362 S CB -0.466 62.796 63.200 0.103 0.000 0.786 362 S HN 2.395 nan 8.310 nan 0.000 0.478 363 G N 1.369 110.285 108.800 0.193 0.000 2.781 363 G HA2 0.027 3.982 3.960 -0.008 0.000 0.683 363 G HA3 0.027 3.982 3.960 -0.008 0.000 0.683 363 G C -1.223 173.827 174.900 0.249 0.000 1.390 363 G CA -0.371 44.886 45.100 0.261 0.000 0.850 363 G HN 0.373 nan 8.290 nan 0.000 0.557 364 D N -2.179 118.420 120.400 0.332 0.000 2.694 364 D HA 0.614 5.250 4.640 -0.008 0.000 0.260 364 D C -1.272 175.262 176.300 0.390 0.000 1.250 364 D CA 0.517 54.695 54.000 0.297 0.000 0.763 364 D CB 1.933 42.846 40.800 0.188 0.000 1.311 364 D HN 1.314 nan 8.370 nan 0.000 0.420 365 V N 1.499 121.565 119.914 0.253 0.000 2.841 365 V HA 0.705 4.821 4.120 -0.008 0.000 0.310 365 V C -1.588 174.574 176.094 0.114 0.000 1.090 365 V CA -0.470 61.865 62.300 0.058 0.000 0.930 365 V CB 1.850 33.605 31.823 -0.114 0.000 1.014 365 V HN 0.546 nan 8.190 nan 0.000 0.425 366 K N 3.627 124.110 120.400 0.138 0.000 2.482 366 K HA 0.449 4.764 4.320 -0.008 0.000 0.251 366 K C -0.674 176.021 176.600 0.158 0.000 0.936 366 K CA -0.351 56.062 56.287 0.210 0.000 0.791 366 K CB 2.033 34.775 32.500 0.403 0.000 1.213 366 K HN 0.766 nan 8.250 nan 0.000 0.428 367 S N 2.135 117.897 115.700 0.102 0.000 2.525 367 S HA 0.182 4.647 4.470 -0.008 0.000 0.285 367 S C 0.655 175.350 174.600 0.158 0.000 1.283 367 S CA 0.196 58.435 58.200 0.065 0.000 1.072 367 S CB 0.565 63.790 63.200 0.042 0.000 0.867 367 S HN 0.624 nan 8.310 nan 0.000 0.492 368 A N 4.121 126.997 122.820 0.094 0.000 2.430 368 A HA 0.639 4.954 4.320 -0.008 0.000 0.243 368 A C 1.085 178.739 177.584 0.117 0.000 1.254 368 A CA 0.344 52.489 52.037 0.180 0.000 0.914 368 A CB -0.930 18.079 19.000 0.015 0.000 0.998 368 A HN 1.892 nan 8.150 nan 0.000 0.515 369 G N -0.361 108.473 108.800 0.057 0.000 2.655 369 G HA2 -0.082 3.873 3.960 -0.008 0.000 0.680 369 G HA3 -0.082 3.873 3.960 -0.008 0.000 0.680 369 G C -0.721 174.178 174.900 -0.003 0.000 1.302 369 G CA -0.610 44.513 45.100 0.039 0.000 0.872 369 G HN 0.409 nan 8.290 nan 0.000 0.540 370 K N -0.120 120.276 120.400 -0.007 0.000 2.138 370 K HA 0.484 4.799 4.320 -0.008 0.000 0.263 370 K C 0.686 177.259 176.600 -0.046 0.000 0.965 370 K CA -0.809 55.456 56.287 -0.036 0.000 0.868 370 K CB 1.651 34.133 32.500 -0.030 0.000 1.083 370 K HN 0.598 nan 8.250 nan 0.000 0.443 371 R N 3.560 124.007 120.500 -0.088 0.000 2.399 371 R HA -0.051 4.284 4.340 -0.008 0.000 0.324 371 R C -0.317 175.864 176.300 -0.198 0.000 1.030 371 R CA 0.657 56.665 56.100 -0.153 0.000 0.984 371 R CB 0.175 30.367 30.300 -0.182 0.000 0.961 371 R HN 0.737 nan 8.270 nan 0.000 0.433 372 Q N 1.885 121.595 119.800 -0.151 0.000 2.854 372 Q HA 0.591 4.926 4.340 -0.008 0.000 0.331 372 Q C -1.521 174.563 176.000 0.141 0.000 0.859 372 Q CA -1.016 54.775 55.803 -0.020 0.000 0.787 372 Q CB 1.761 30.512 28.738 0.020 0.000 1.410 372 Q HN 0.608 nan 8.270 nan 0.000 0.510 373 S N -0.997 114.821 115.700 0.195 0.000 2.656 373 S HA 0.223 4.688 4.470 -0.008 0.000 0.265 373 S C -0.339 174.330 174.600 0.115 0.000 1.132 373 S CA -0.119 58.215 58.200 0.224 0.000 0.819 373 S CB 0.039 63.482 63.200 0.405 0.000 1.119 373 S HN 0.847 nan 8.310 nan 0.000 0.476 374 N N 0.812 119.559 118.700 0.078 0.000 2.519 374 N HA -0.085 4.650 4.740 -0.008 0.000 0.186 374 N C 1.023 176.517 175.510 -0.026 0.000 1.062 374 N CA 0.817 53.881 53.050 0.022 0.000 0.910 374 N CB -0.651 37.845 38.487 0.016 0.000 0.958 374 N HN 0.623 nan 8.380 nan 0.000 0.445 375 R N -0.372 120.090 120.500 -0.064 0.000 2.310 375 R HA 0.288 4.624 4.340 -0.008 0.000 0.202 375 R C 0.603 176.868 176.300 -0.058 0.000 0.933 375 R CA 0.406 56.422 56.100 -0.140 0.000 1.054 375 R CB 0.003 30.079 30.300 -0.373 0.000 0.985 375 R HN 0.360 nan 8.270 nan 0.000 0.489 376 G N 0.123 108.926 108.800 0.005 0.000 2.422 376 G HA2 -0.201 3.755 3.960 -0.008 0.000 0.607 376 G HA3 -0.201 3.755 3.960 -0.008 0.000 0.607 376 G C -0.785 174.151 174.900 0.060 0.000 1.270 376 G CA -0.911 44.203 45.100 0.023 0.000 0.992 376 G HN -0.045 nan 8.290 nan 0.000 0.499 377 V N 1.099 121.036 119.914 0.038 0.000 2.614 377 V HA 0.532 4.647 4.120 -0.008 0.000 0.291 377 V C 1.295 177.420 176.094 0.051 0.000 1.049 377 V CA 0.407 62.726 62.300 0.030 0.000 1.038 377 V CB 0.978 32.806 31.823 0.008 0.000 0.980 377 V HN 1.914 nan 8.190 nan 0.000 0.481 378 A N 7.668 130.509 122.820 0.036 0.000 2.366 378 A HA 0.696 5.012 4.320 -0.008 0.000 0.272 378 A C -2.298 175.305 177.584 0.032 0.000 1.135 378 A CA -1.387 50.699 52.037 0.081 0.000 0.804 378 A CB 0.149 19.167 19.000 0.030 0.000 1.064 378 A HN 0.690 nan 8.150 nan 0.000 0.499 379 P HA 0.163 nan 4.420 nan 0.000 0.274 379 P C -0.771 176.524 177.300 -0.009 0.000 1.256 379 P CA -0.494 62.615 63.100 0.015 0.000 0.795 379 P CB 0.406 32.122 31.700 0.026 0.000 1.038 380 D N 0.226 120.604 120.400 -0.037 0.000 2.487 380 D HA 0.164 4.799 4.640 -0.008 0.000 0.243 380 D C 0.246 176.523 176.300 -0.039 0.000 1.154 380 D CA 0.703 54.658 54.000 -0.075 0.000 0.876 380 D CB 0.046 40.807 40.800 -0.066 0.000 1.161 380 D HN 0.264 nan 8.370 nan 0.000 0.478 381 A N 3.362 126.150 122.820 -0.055 0.000 3.219 381 A HA 0.196 4.511 4.320 -0.008 0.000 0.314 381 A C 0.297 177.948 177.584 0.111 0.000 1.081 381 A CA -0.689 51.397 52.037 0.081 0.000 0.995 381 A CB -0.123 19.045 19.000 0.279 0.000 1.067 381 A HN 0.436 nan 8.150 nan 0.000 0.533 382 M N 0.418 120.025 119.600 0.011 0.000 2.290 382 M HA 0.157 4.633 4.480 -0.008 0.000 0.356 382 M C 0.695 177.008 176.300 0.021 0.000 1.448 382 M CA 0.699 56.009 55.300 0.017 0.000 0.993 382 M CB -1.120 31.471 32.600 -0.014 0.000 1.934 382 M HN 0.802 nan 8.290 nan 0.000 0.461 383 C N 3.489 122.856 119.300 0.111 0.000 4.417 383 C HA -0.105 4.350 4.460 -0.008 0.000 0.284 383 C C 1.002 176.022 174.990 0.051 0.000 1.379 383 C CA 0.406 59.458 59.018 0.057 0.000 1.918 383 C CB -2.804 24.920 27.740 -0.028 0.000 1.280 383 C HN 1.176 nan 8.230 nan 0.000 0.783 384 G N 0.086 109.009 108.800 0.206 0.000 2.547 384 G HA2 0.545 4.500 3.960 -0.008 0.000 0.291 384 G HA3 0.545 4.500 3.960 -0.008 0.000 0.291 384 G C -0.407 174.255 174.900 -0.395 0.000 1.211 384 G CA -0.292 44.875 45.100 0.111 0.000 0.950 384 G HN 0.619 nan 8.290 nan 0.000 0.504 385 N N -1.016 117.182 118.700 -0.836 0.000 2.432 385 N HA 0.603 5.339 4.740 -0.008 0.000 0.292 385 N C -0.779 173.836 175.510 -1.492 0.000 1.193 385 N CA -0.548 51.815 53.050 -1.145 0.000 0.878 385 N CB 2.079 39.960 38.487 -1.010 0.000 1.252 385 N HN 0.645 nan 8.380 nan 0.000 0.520 386 A N 1.049 123.260 122.820 -1.016 0.000 2.408 386 A HA 0.581 4.897 4.320 -0.008 0.000 0.295 386 A C -1.263 176.296 177.584 -0.042 0.000 1.040 386 A CA -0.467 51.225 52.037 -0.575 0.000 0.707 386 A CB 1.125 19.868 19.000 -0.428 0.000 1.235 386 A HN 0.356 nan 8.150 nan 0.000 0.418 387 V N 3.373 123.360 119.914 0.121 0.000 2.569 387 V HA 0.379 4.495 4.120 -0.008 0.000 0.301 387 V C -0.134 176.087 176.094 0.212 0.000 1.044 387 V CA -0.240 62.211 62.300 0.251 0.000 0.874 387 V CB 1.819 33.807 31.823 0.276 0.000 1.002 387 V HN 0.986 nan 8.190 nan 0.000 0.424 388 M N 5.861 125.562 119.600 0.168 0.000 2.497 388 M HA 0.243 4.718 4.480 -0.008 0.000 0.336 388 M C 0.638 176.977 176.300 0.065 0.000 1.378 388 M CA -0.346 54.911 55.300 -0.072 0.000 1.375 388 M CB 0.050 32.567 32.600 -0.137 0.000 1.337 388 M HN 0.866 nan 8.290 nan 0.000 0.461 389 Y N 0.872 121.201 120.300 0.048 0.000 2.544 389 Y HA 0.292 4.837 4.550 -0.008 0.000 0.286 389 Y C 0.065 176.016 175.900 0.085 0.000 1.141 389 Y CA -0.132 58.019 58.100 0.086 0.000 1.299 389 Y CB 0.206 38.725 38.460 0.098 0.000 1.030 389 Y HN 0.495 nan 8.280 nan 0.000 0.543 390 D N 0.552 120.759 120.400 -0.322 0.000 2.527 390 D HA 0.316 4.952 4.640 -0.008 0.000 0.242 390 D C 0.755 176.989 176.300 -0.109 0.000 1.285 390 D CA 0.140 54.045 54.000 -0.157 0.000 0.886 390 D CB 1.003 41.687 40.800 -0.193 0.000 1.402 390 D HN 0.222 nan 8.370 nan 0.000 0.528 391 A N 1.619 124.467 122.820 0.047 0.000 1.978 391 A HA -0.113 4.203 4.320 -0.008 0.000 0.220 391 A C 2.131 179.851 177.584 0.227 0.000 1.170 391 A CA 1.485 53.633 52.037 0.186 0.000 0.636 391 A CB -0.225 18.962 19.000 0.310 0.000 0.810 391 A HN 0.412 nan 8.150 nan 0.000 0.448 392 V N -0.007 119.982 119.914 0.125 0.000 2.392 392 V HA -0.180 3.936 4.120 -0.008 0.000 0.249 392 V C 1.768 177.923 176.094 0.103 0.000 1.059 392 V CA 2.036 64.395 62.300 0.097 0.000 1.051 392 V CB -0.442 31.412 31.823 0.050 0.000 0.658 392 V HN 0.408 nan 8.190 nan 0.000 0.455 393 K N -0.207 120.226 120.400 0.055 0.000 2.440 393 K HA 0.314 4.629 4.320 -0.008 0.000 0.206 393 K C 1.242 177.833 176.600 -0.016 0.000 1.025 393 K CA 0.531 56.834 56.287 0.027 0.000 1.135 393 K CB 0.230 32.723 32.500 -0.011 0.000 0.856 393 K HN 0.468 nan 8.250 nan 0.000 0.502 394 G N 2.781 111.598 108.800 0.028 0.000 2.341 394 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.292 394 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.292 394 G C -0.254 174.416 174.900 -0.384 0.000 1.021 394 G CA 0.336 45.310 45.100 -0.210 0.000 0.905 394 G HN 0.098 nan 8.290 nan 0.000 0.508 395 K N -0.017 120.143 120.400 -0.400 0.000 2.258 395 K HA 0.563 4.879 4.320 -0.008 0.000 0.284 395 K C 0.507 176.730 176.600 -0.628 0.000 1.051 395 K CA -0.285 55.667 56.287 -0.558 0.000 0.923 395 K CB 1.348 33.328 32.500 -0.866 0.000 1.046 395 K HN 0.376 nan 8.250 nan 0.000 0.474 396 I N 3.591 123.920 120.570 -0.401 0.000 2.498 396 I HA 0.253 4.418 4.170 -0.008 0.000 0.290 396 I C -0.745 175.390 176.117 0.029 0.000 1.032 396 I CA -1.253 59.881 61.300 -0.276 0.000 1.073 396 I CB 1.793 39.531 38.000 -0.437 0.000 1.251 396 I HN 0.248 nan 8.210 nan 0.000 0.426 397 L N 6.827 128.164 121.223 0.191 0.000 2.296 397 L HA 0.653 4.988 4.340 -0.008 0.000 0.286 397 L C 0.024 176.949 176.870 0.091 0.000 1.023 397 L CA 0.269 55.221 54.840 0.188 0.000 0.812 397 L CB 1.555 43.718 42.059 0.173 0.000 1.223 397 L HN 0.741 nan 8.230 nan 0.000 0.421 398 T N 1.882 116.461 114.554 0.041 0.000 2.885 398 T HA 0.885 5.230 4.350 -0.008 0.000 0.285 398 T C -0.601 174.075 174.700 -0.041 0.000 1.019 398 T CA -0.529 61.424 62.100 -0.245 0.000 1.010 398 T CB 1.411 70.232 68.868 -0.077 0.000 1.022 398 T HN 0.614 nan 8.240 nan 0.000 0.466 399 F N -1.717 118.152 119.950 -0.135 0.000 2.769 399 F HA 0.718 5.240 4.527 -0.008 0.000 0.313 399 F C 0.285 176.105 175.800 0.034 0.000 1.146 399 F CA -0.368 57.595 58.000 -0.061 0.000 0.934 399 F CB 0.505 39.455 39.000 -0.082 0.000 1.283 399 F HN 1.238 nan 8.300 nan 0.000 0.443 400 G N 0.329 109.231 108.800 0.170 0.000 2.645 400 G HA2 0.469 4.424 3.960 -0.008 0.000 0.246 400 G HA3 0.469 4.424 3.960 -0.008 0.000 0.246 400 G C 0.411 175.379 174.900 0.112 0.000 1.322 400 G CA 0.632 45.748 45.100 0.027 0.000 0.898 400 G HN 3.294 nan 8.290 nan 0.000 0.573 401 G N -2.578 106.281 108.800 0.098 0.000 2.710 401 G HA2 0.488 4.444 3.960 -0.008 0.000 0.668 401 G HA3 0.488 4.444 3.960 -0.008 0.000 0.668 401 G C 0.094 174.977 174.900 -0.028 0.000 1.320 401 G CA 0.832 45.970 45.100 0.063 0.000 0.860 401 G HN 3.005 nan 8.290 nan 0.000 0.538 402 S N -1.126 114.541 115.700 -0.056 0.000 2.638 402 S HA 0.824 5.289 4.470 -0.008 0.000 0.274 402 S C -2.043 172.533 174.600 -0.039 0.000 1.157 402 S CA -0.527 57.633 58.200 -0.068 0.000 0.826 402 S CB 2.456 65.575 63.200 -0.135 0.000 1.139 402 S HN 0.464 nan 8.310 nan 0.000 0.474 403 P HA 0.046 nan 4.420 nan 0.000 0.215 403 P C -0.380 176.918 177.300 -0.003 0.000 1.153 403 P CA 1.405 64.497 63.100 -0.014 0.000 0.853 403 P CB -0.011 31.684 31.700 -0.009 0.000 0.788 404 D N -3.305 117.096 120.400 0.003 0.000 2.350 404 D HA 0.094 4.730 4.640 -0.008 0.000 0.238 404 D C 0.564 176.902 176.300 0.063 0.000 0.989 404 D CA -0.684 53.346 54.000 0.049 0.000 0.921 404 D CB 0.880 41.716 40.800 0.060 0.000 1.297 404 D HN -0.066 nan 8.370 nan 0.000 0.490 405 Y N 0.783 121.112 120.300 0.048 0.000 2.114 405 Y HA -0.245 4.301 4.550 -0.008 0.000 0.282 405 Y C 1.157 177.118 175.900 0.101 0.000 1.165 405 Y CA 1.802 59.965 58.100 0.105 0.000 1.148 405 Y CB 0.417 38.954 38.460 0.129 0.000 0.972 405 Y HN 0.414 nan 8.280 nan 0.000 0.504 406 Q N -2.133 117.820 119.800 0.254 0.000 2.553 406 Q HA 0.265 4.600 4.340 -0.008 0.000 0.293 406 Q C -0.939 175.106 176.000 0.076 0.000 1.038 406 Q CA -0.483 55.415 55.803 0.158 0.000 0.777 406 Q CB 1.741 30.599 28.738 0.198 0.000 1.487 406 Q HN 0.105 nan 8.270 nan 0.000 0.426 407 D N -0.061 120.365 120.400 0.044 0.000 2.708 407 D HA -0.154 4.482 4.640 -0.008 0.000 0.236 407 D C -1.076 175.226 176.300 0.003 0.000 1.146 407 D CA 1.663 55.677 54.000 0.023 0.000 0.662 407 D CB -1.113 39.709 40.800 0.037 0.000 1.059 407 D HN 0.501 nan 8.370 nan 0.000 0.428 408 S N -0.410 115.274 115.700 -0.026 0.000 2.541 408 S HA 0.358 4.823 4.470 -0.008 0.000 0.280 408 S C -1.021 173.536 174.600 -0.073 0.000 1.112 408 S CA -0.830 57.346 58.200 -0.040 0.000 0.925 408 S CB 1.725 64.902 63.200 -0.039 0.000 1.067 408 S HN -0.053 nan 8.310 nan 0.000 0.479 409 D N 2.863 123.229 120.400 -0.058 0.000 2.389 409 D HA 0.506 5.141 4.640 -0.008 0.000 0.247 409 D C 0.478 176.728 176.300 -0.083 0.000 1.128 409 D CA 0.260 54.220 54.000 -0.067 0.000 0.884 409 D CB 1.379 42.152 40.800 -0.045 0.000 1.194 409 D HN 0.691 nan 8.370 nan 0.000 0.441 410 A N 2.096 124.853 122.820 -0.106 0.000 2.313 410 A HA 0.491 4.806 4.320 -0.008 0.000 0.261 410 A C 0.555 178.094 177.584 -0.074 0.000 1.090 410 A CA -0.258 51.710 52.037 -0.116 0.000 0.807 410 A CB 0.699 19.604 19.000 -0.158 0.000 1.055 410 A HN 0.465 nan 8.150 nan 0.000 0.492 411 T N -1.856 112.662 114.554 -0.059 0.000 2.942 411 T HA 0.503 4.848 4.350 -0.008 0.000 0.289 411 T C 0.963 175.632 174.700 -0.050 0.000 1.044 411 T CA 0.287 62.370 62.100 -0.028 0.000 1.023 411 T CB 1.208 70.090 68.868 0.025 0.000 1.123 411 T HN 1.049 nan 8.240 nan 0.000 0.512 412 T N -0.200 114.330 114.554 -0.041 0.000 3.069 412 T HA 0.291 4.637 4.350 -0.008 0.000 0.252 412 T C 0.559 175.214 174.700 -0.076 0.000 1.053 412 T CA -0.339 61.702 62.100 -0.098 0.000 0.964 412 T CB -0.816 67.975 68.868 -0.127 0.000 1.005 412 T HN 0.657 nan 8.240 nan 0.000 0.532 413 N N 1.852 120.572 118.700 0.033 0.000 2.293 413 N HA 0.354 5.090 4.740 -0.008 0.000 0.253 413 N C -0.489 174.904 175.510 -0.194 0.000 1.248 413 N CA 0.235 53.316 53.050 0.051 0.000 0.845 413 N CB 0.239 38.860 38.487 0.223 0.000 1.073 413 N HN 0.593 nan 8.380 nan 0.000 0.464 414 A N 2.268 124.642 122.820 -0.744 0.000 2.488 414 A HA 0.542 4.857 4.320 -0.008 0.000 0.295 414 A C -1.592 175.395 177.584 -0.994 0.000 1.045 414 A CA -0.634 51.049 52.037 -0.590 0.000 0.703 414 A CB 1.010 19.748 19.000 -0.437 0.000 1.271 414 A HN 0.802 nan 8.150 nan 0.000 0.400 415 H N 0.687 119.631 119.070 -0.210 0.000 2.928 415 H HA 0.670 5.222 4.556 -0.008 0.000 0.371 415 H C -0.832 174.468 175.328 -0.048 0.000 1.186 415 H CA -0.718 55.263 56.048 -0.113 0.000 1.134 415 H CB 1.761 31.537 29.762 0.025 0.000 1.824 415 H HN 0.485 nan 8.280 nan 0.000 0.554 416 I N 3.135 123.780 120.570 0.125 0.000 2.382 416 I HA 0.273 4.438 4.170 -0.008 0.000 0.285 416 I C -0.341 175.827 176.117 0.084 0.000 1.007 416 I CA -0.227 61.134 61.300 0.102 0.000 1.142 416 I CB 0.644 38.715 38.000 0.118 0.000 1.289 416 I HN 0.448 nan 8.210 nan 0.000 0.453 417 I N 5.579 126.164 120.570 0.024 0.000 2.392 417 I HA 0.315 4.480 4.170 -0.008 0.000 0.295 417 I C 0.066 176.084 176.117 -0.166 0.000 0.985 417 I CA -0.267 61.001 61.300 -0.054 0.000 1.221 417 I CB 1.699 39.668 38.000 -0.052 0.000 1.366 417 I HN 0.461 nan 8.210 nan 0.000 0.467 418 T N 6.852 121.307 114.554 -0.165 0.000 2.977 418 T HA 0.443 4.788 4.350 -0.008 0.000 0.346 418 T C 0.009 174.567 174.700 -0.237 0.000 1.140 418 T CA -0.556 61.432 62.100 -0.186 0.000 1.040 418 T CB 0.277 69.100 68.868 -0.076 0.000 1.046 418 T HN 0.275 nan 8.240 nan 0.000 0.494 419 L N 2.362 123.334 121.223 -0.418 0.000 2.461 419 L HA 0.536 4.871 4.340 -0.008 0.000 0.272 419 L C 1.213 178.034 176.870 -0.082 0.000 1.197 419 L CA -0.045 54.524 54.840 -0.451 0.000 0.836 419 L CB 0.389 41.814 42.059 -1.056 0.000 1.105 419 L HN 0.761 nan 8.230 nan 0.000 0.477 420 G N 1.730 110.591 108.800 0.101 0.000 3.407 420 G HA2 0.274 4.230 3.960 -0.008 0.000 0.187 420 G HA3 0.274 4.230 3.960 -0.008 0.000 0.187 420 G C -0.558 174.535 174.900 0.321 0.000 1.262 420 G CA -0.309 44.910 45.100 0.198 0.000 0.808 420 G HN 0.450 nan 8.290 nan 0.000 0.687 421 E N 1.375 121.657 120.200 0.136 0.000 2.343 421 E HA 0.335 4.680 4.350 -0.008 0.000 0.269 421 E C -2.301 174.126 176.600 -0.288 0.000 1.047 421 E CA -1.824 54.591 56.400 0.025 0.000 0.874 421 E CB 1.206 30.888 29.700 -0.031 0.000 1.033 421 E HN 0.004 nan 8.360 nan 0.000 0.409 422 P HA 0.036 nan 4.420 nan 0.000 0.264 422 P C 0.685 177.385 177.300 -0.999 0.000 1.193 422 P CA 1.006 63.323 63.100 -1.306 0.000 0.763 422 P CB 0.498 31.915 31.700 -0.472 0.000 0.810 423 G N 1.881 109.681 108.800 -1.666 0.000 2.313 423 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.215 423 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.215 423 G C 0.287 175.070 174.900 -0.196 0.000 1.023 423 G CA 0.142 44.924 45.100 -0.530 0.000 0.626 423 G HN 0.781 nan 8.290 nan 0.000 0.503 424 T N 0.142 114.602 114.554 -0.157 0.000 2.869 424 T HA 0.609 4.954 4.350 -0.008 0.000 0.295 424 T C 0.412 175.322 174.700 0.350 0.000 0.987 424 T CA 0.578 62.737 62.100 0.099 0.000 1.109 424 T CB 1.724 70.628 68.868 0.060 0.000 0.932 424 T HN 0.540 nan 8.240 nan 0.000 0.518 425 S N 5.686 121.548 115.700 0.269 0.000 2.466 425 S HA 0.228 4.693 4.470 -0.008 0.000 0.286 425 S C -1.513 173.203 174.600 0.193 0.000 1.221 425 S CA -0.864 57.494 58.200 0.264 0.000 1.091 425 S CB -0.240 63.057 63.200 0.163 0.000 0.956 425 S HN 0.705 nan 8.310 nan 0.000 0.501 426 P HA 0.090 nan 4.420 nan 0.000 0.272 426 P C -0.401 176.919 177.300 0.033 0.000 1.230 426 P CA -0.500 62.628 63.100 0.046 0.000 0.788 426 P CB 0.484 32.100 31.700 -0.141 0.000 0.949 427 N N 0.204 118.909 118.700 0.010 0.000 2.529 427 N HA 0.327 5.063 4.740 -0.008 0.000 0.278 427 N C -0.763 174.763 175.510 0.027 0.000 1.146 427 N CA -0.155 52.911 53.050 0.028 0.000 0.980 427 N CB 0.503 39.007 38.487 0.029 0.000 1.124 427 N HN 0.513 nan 8.380 nan 0.000 0.458 428 T N -0.032 114.558 114.554 0.059 0.000 2.912 428 T HA 0.623 4.969 4.350 -0.008 0.000 0.299 428 T C -0.552 174.235 174.700 0.145 0.000 1.052 428 T CA -0.750 61.405 62.100 0.091 0.000 0.996 428 T CB 0.577 69.487 68.868 0.070 0.000 1.070 428 T HN 0.471 nan 8.240 nan 0.000 0.465 429 V N 0.264 120.296 119.914 0.197 0.000 3.159 429 V HA 0.846 4.962 4.120 -0.008 0.000 0.308 429 V C -0.815 175.463 176.094 0.306 0.000 1.190 429 V CA -1.476 60.964 62.300 0.233 0.000 1.037 429 V CB 1.573 33.494 31.823 0.164 0.000 1.060 429 V HN 0.907 nan 8.190 nan 0.000 0.437 430 F N 1.940 121.952 119.950 0.104 0.000 2.418 430 F HA 0.708 5.231 4.527 -0.007 0.000 0.341 430 F C 0.859 176.655 175.800 -0.007 0.000 1.120 430 F CA 0.299 58.272 58.000 -0.045 0.000 1.232 430 F CB 1.125 40.082 39.000 -0.071 0.000 1.175 430 F HN 0.928 nan 8.300 nan 0.000 0.569 431 A N 4.766 127.310 122.820 -0.460 0.000 2.391 431 A HA 0.500 4.816 4.320 -0.008 0.000 0.316 431 A C 0.658 178.293 177.584 0.085 0.000 1.381 431 A CA 0.554 52.491 52.037 -0.166 0.000 0.998 431 A CB 0.053 18.863 19.000 -0.317 0.000 1.147 431 A HN 1.183 nan 8.150 nan 0.000 0.545 432 S N 2.127 117.965 115.700 0.231 0.000 4.139 432 S HA -0.349 4.117 4.470 -0.008 0.000 0.603 432 S C 0.908 175.669 174.600 0.267 0.000 1.897 432 S CA 2.044 60.398 58.200 0.256 0.000 4.241 432 S CB -1.168 62.257 63.200 0.376 0.000 0.221 432 S HN 1.585 nan 8.310 nan 0.000 0.488 433 N N 1.948 120.764 118.700 0.192 0.000 2.365 433 N HA 0.447 5.183 4.740 -0.008 0.000 0.257 433 N C 0.041 175.616 175.510 0.107 0.000 1.287 433 N CA 1.684 54.833 53.050 0.165 0.000 0.882 433 N CB 0.657 39.131 38.487 -0.021 0.000 1.250 433 N HN 1.453 nan 8.380 nan 0.000 0.507 434 G N 0.217 109.003 108.800 -0.024 0.000 2.796 434 G HA2 -0.223 3.732 3.960 -0.008 0.000 0.571 434 G HA3 -0.223 3.732 3.960 -0.008 0.000 0.571 434 G C -0.552 173.848 174.900 -0.833 0.000 1.370 434 G CA -0.401 44.474 45.100 -0.375 0.000 0.856 434 G HN 0.243 nan 8.290 nan 0.000 0.538 435 L N -0.331 120.415 121.223 -0.794 0.000 2.473 435 L HA 0.224 4.560 4.340 -0.008 0.000 0.268 435 L C 1.679 178.219 176.870 -0.549 0.000 1.215 435 L CA -0.322 54.034 54.840 -0.806 0.000 0.823 435 L CB 0.280 42.065 42.059 -0.457 0.000 1.099 435 L HN 0.661 nan 8.230 nan 0.000 0.483 436 Y N 0.453 120.451 120.300 -0.503 0.000 2.220 436 Y HA -0.001 4.545 4.550 -0.007 0.000 0.291 436 Y C 0.481 175.918 175.900 -0.770 0.000 1.129 436 Y CA 1.142 58.879 58.100 -0.606 0.000 1.161 436 Y CB 0.179 38.251 38.460 -0.646 0.000 0.997 436 Y HN 0.235 nan 8.280 nan 0.000 0.522 437 F N -0.641 119.275 119.950 -0.057 0.000 2.507 437 F HA 0.601 5.123 4.527 -0.008 0.000 0.325 437 F C 0.144 175.840 175.800 -0.174 0.000 1.116 437 F CA -1.788 56.149 58.000 -0.105 0.000 0.930 437 F CB 0.896 39.832 39.000 -0.106 0.000 1.146 437 F HN -0.275 nan 8.300 nan 0.000 0.447 438 A N 4.609 127.430 122.820 0.003 0.000 2.450 438 A HA 0.694 5.010 4.320 -0.008 0.000 0.255 438 A C -0.012 177.501 177.584 -0.119 0.000 1.096 438 A CA -0.333 51.655 52.037 -0.081 0.000 0.778 438 A CB 0.084 19.043 19.000 -0.069 0.000 1.031 438 A HN 0.911 nan 8.150 nan 0.000 0.494 439 R N 0.580 120.942 120.500 -0.231 0.000 2.680 439 R HA 0.784 5.119 4.340 -0.008 0.000 0.269 439 R C -1.051 175.031 176.300 -0.363 0.000 1.026 439 R CA -0.592 55.326 56.100 -0.304 0.000 0.889 439 R CB 1.510 31.596 30.300 -0.357 0.000 1.241 439 R HN 0.512 nan 8.270 nan 0.000 0.463 440 T N 1.033 115.459 114.554 -0.213 0.000 2.903 440 T HA 0.552 4.897 4.350 -0.008 0.000 0.299 440 T C -0.751 173.901 174.700 -0.081 0.000 1.093 440 T CA -0.251 61.752 62.100 -0.162 0.000 1.002 440 T CB 0.579 69.137 68.868 -0.517 0.000 1.127 440 T HN 0.566 nan 8.240 nan 0.000 0.488 441 F N 1.685 121.699 119.950 0.108 0.000 2.746 441 F HA -0.162 4.360 4.527 -0.008 0.000 0.315 441 F C 0.751 176.518 175.800 -0.056 0.000 0.666 441 F CA 0.804 58.778 58.000 -0.043 0.000 1.381 441 F CB -2.847 36.130 39.000 -0.038 0.000 1.739 441 F HN 0.828 nan 8.300 nan 0.000 0.322 442 H N 0.021 119.102 119.070 0.019 0.000 2.581 442 H HA 0.743 5.294 4.556 -0.008 0.000 0.369 442 H C 0.608 175.925 175.328 -0.018 0.000 1.351 442 H CA 0.395 56.430 56.048 -0.022 0.000 1.434 442 H CB 0.792 30.541 29.762 -0.022 0.000 1.558 442 H HN 0.199 nan 8.280 nan 0.000 0.608 443 T N -1.757 112.769 114.554 -0.047 0.000 2.896 443 T HA 0.621 4.966 4.350 -0.008 0.000 0.297 443 T C -0.585 174.148 174.700 0.054 0.000 1.108 443 T CA -0.724 61.330 62.100 -0.076 0.000 1.004 443 T CB 1.636 70.479 68.868 -0.041 0.000 1.159 443 T HN 0.932 nan 8.240 nan 0.000 0.499 444 S N -0.318 115.435 115.700 0.088 0.000 2.638 444 S HA 0.891 5.356 4.470 -0.008 0.000 0.274 444 S C -0.799 173.921 174.600 0.201 0.000 1.157 444 S CA -0.515 57.803 58.200 0.198 0.000 0.826 444 S CB 1.327 64.746 63.200 0.365 0.000 1.139 444 S HN 2.032 nan 8.310 nan 0.000 0.474 445 V N -2.032 118.036 119.914 0.257 0.000 3.048 445 V HA 0.857 4.973 4.120 -0.008 0.000 0.303 445 V C -0.542 175.684 176.094 0.221 0.000 1.214 445 V CA -0.899 61.532 62.300 0.218 0.000 0.984 445 V CB 1.156 33.105 31.823 0.210 0.000 1.054 445 V HN 1.145 nan 8.190 nan 0.000 0.430 446 V N 5.303 125.329 119.914 0.187 0.000 2.498 446 V HA 0.533 4.649 4.120 -0.008 0.000 0.279 446 V C 0.041 176.216 176.094 0.135 0.000 1.048 446 V CA -0.130 62.280 62.300 0.182 0.000 0.967 446 V CB 0.883 32.828 31.823 0.202 0.000 0.988 446 V HN 0.826 nan 8.190 nan 0.000 0.473 447 L N 7.712 129.008 121.223 0.123 0.000 2.416 447 L HA 0.423 4.759 4.340 -0.008 0.000 0.262 447 L C -1.380 175.462 176.870 -0.046 0.000 1.093 447 L CA -1.793 53.089 54.840 0.069 0.000 0.801 447 L CB 0.853 43.025 42.059 0.189 0.000 1.191 447 L HN 0.404 nan 8.230 nan 0.000 0.459 448 P HA -0.205 nan 4.420 nan 0.000 0.217 448 P C 0.418 177.589 177.300 -0.215 0.000 1.151 448 P CA 1.333 64.171 63.100 -0.437 0.000 0.849 448 P CB 0.000 31.123 31.700 -0.962 0.000 0.787 449 D N -2.492 117.810 120.400 -0.163 0.000 2.324 449 D HA 0.116 4.752 4.640 -0.008 0.000 0.235 449 D C 1.401 177.699 176.300 -0.003 0.000 1.095 449 D CA 0.549 54.501 54.000 -0.080 0.000 0.871 449 D CB -1.003 39.762 40.800 -0.059 0.000 0.906 449 D HN 0.244 nan 8.370 nan 0.000 0.522 450 G N 0.183 109.006 108.800 0.038 0.000 2.199 450 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.254 450 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.254 450 G C 0.440 175.383 174.900 0.070 0.000 0.982 450 G CA 0.402 45.570 45.100 0.113 0.000 0.632 450 G HN 0.851 nan 8.290 nan 0.000 0.529 451 S N -0.007 115.715 115.700 0.035 0.000 2.580 451 S HA 0.631 5.096 4.470 -0.008 0.000 0.274 451 S C 0.060 174.705 174.600 0.075 0.000 1.329 451 S CA 0.637 58.840 58.200 0.006 0.000 1.036 451 S CB 1.833 65.043 63.200 0.016 0.000 0.919 451 S HN 0.569 nan 8.310 nan 0.000 0.515 452 T N 3.619 118.209 114.554 0.061 0.000 2.758 452 T HA 0.367 4.712 4.350 -0.008 0.000 0.285 452 T C -0.801 173.978 174.700 0.132 0.000 0.981 452 T CA -0.290 61.878 62.100 0.115 0.000 0.965 452 T CB 0.101 69.019 68.868 0.083 0.000 0.927 452 T HN 0.573 nan 8.240 nan 0.000 0.448 453 F N 5.349 125.318 119.950 0.032 0.000 2.411 453 F HA 0.580 5.106 4.527 -0.001 0.000 0.355 453 F C -0.603 175.203 175.800 0.010 0.000 1.117 453 F CA -1.189 56.808 58.000 -0.005 0.000 1.139 453 F CB 0.185 39.175 39.000 -0.017 0.000 1.120 453 F HN 0.426 nan 8.300 nan 0.000 0.493 454 I N 5.955 126.171 120.570 -0.590 0.000 2.378 454 I HA 0.403 4.569 4.170 -0.008 0.000 0.291 454 I C -0.077 175.657 176.117 -0.637 0.000 0.992 454 I CA -0.458 60.594 61.300 -0.413 0.000 1.154 454 I CB 1.876 39.682 38.000 -0.323 0.000 1.315 454 I HN 0.565 nan 8.210 nan 0.000 0.448 455 T N 3.454 117.789 114.554 -0.366 0.000 2.868 455 T HA 0.736 5.081 4.350 -0.008 0.000 0.306 455 T C -0.090 174.558 174.700 -0.088 0.000 1.224 455 T CA 0.553 62.487 62.100 -0.276 0.000 1.012 455 T CB 1.598 70.359 68.868 -0.177 0.000 1.221 455 T HN 1.152 nan 8.240 nan 0.000 0.499 456 G N 1.004 109.721 108.800 -0.139 0.000 2.598 456 G HA2 0.379 4.334 3.960 -0.008 0.000 0.244 456 G HA3 0.379 4.334 3.960 -0.008 0.000 0.244 456 G C 0.681 175.512 174.900 -0.115 0.000 1.302 456 G CA 0.336 45.345 45.100 -0.152 0.000 0.903 456 G HN 2.537 nan 8.290 nan 0.000 0.575 457 G N -1.870 106.883 108.800 -0.079 0.000 2.757 457 G HA2 0.532 4.487 3.960 -0.008 0.000 0.638 457 G HA3 0.532 4.487 3.960 -0.008 0.000 0.638 457 G C -0.359 174.458 174.900 -0.139 0.000 1.344 457 G CA 0.899 45.982 45.100 -0.029 0.000 0.855 457 G HN 2.495 nan 8.290 nan 0.000 0.537 458 Q N -1.238 118.490 119.800 -0.120 0.000 2.416 458 Q HA 0.692 5.027 4.340 -0.008 0.000 0.281 458 Q C 0.938 176.845 176.000 -0.156 0.000 1.067 458 Q CA -0.863 54.849 55.803 -0.151 0.000 0.809 458 Q CB 1.867 30.551 28.738 -0.091 0.000 1.418 458 Q HN 0.664 nan 8.270 nan 0.000 0.411 459 R N 0.261 120.682 120.500 -0.132 0.000 2.152 459 R HA -0.014 4.322 4.340 -0.008 0.000 0.232 459 R C 0.142 176.373 176.300 -0.116 0.000 1.117 459 R CA 1.179 57.214 56.100 -0.108 0.000 0.981 459 R CB 0.391 30.651 30.300 -0.068 0.000 0.870 459 R HN 0.632 nan 8.270 nan 0.000 0.451 460 R N -0.451 119.982 120.500 -0.112 0.000 2.483 460 R HA 0.219 4.554 4.340 -0.008 0.000 0.303 460 R C -1.158 175.072 176.300 -0.117 0.000 0.987 460 R CA -0.379 55.656 56.100 -0.108 0.000 0.881 460 R CB 1.739 32.002 30.300 -0.062 0.000 1.177 460 R HN 0.181 nan 8.270 nan 0.000 0.451 461 G N 5.402 114.081 108.800 -0.203 0.000 2.327 461 G HA2 0.248 4.203 3.960 -0.008 0.000 0.278 461 G HA3 0.248 4.203 3.960 -0.008 0.000 0.278 461 G C -0.049 174.887 174.900 0.060 0.000 1.145 461 G CA -0.036 44.943 45.100 -0.202 0.000 1.097 461 G HN 0.603 nan 8.290 nan 0.000 0.430 462 I N 4.462 125.133 120.570 0.168 0.000 2.719 462 I HA 0.160 4.326 4.170 -0.008 0.000 0.275 462 I C -2.425 173.696 176.117 0.007 0.000 1.228 462 I CA -1.767 59.583 61.300 0.084 0.000 1.035 462 I CB 2.443 40.474 38.000 0.051 0.000 1.286 462 I HN 0.254 nan 8.210 nan 0.000 0.531 463 P HA -0.017 nan 4.420 nan 0.000 0.263 463 P C -0.095 176.908 177.300 -0.497 0.000 1.168 463 P CA 0.666 63.277 63.100 -0.815 0.000 0.759 463 P CB 0.039 30.956 31.700 -1.305 0.000 0.782 464 F N -0.787 119.165 119.950 0.002 0.000 2.794 464 F HA -0.220 4.303 4.527 -0.008 0.000 0.335 464 F C 0.626 176.449 175.800 0.039 0.000 0.653 464 F CA 0.918 58.949 58.000 0.053 0.000 1.266 464 F CB -2.102 36.941 39.000 0.073 0.000 1.666 464 F HN 0.344 nan 8.300 nan 0.000 0.314 465 E N 0.903 121.176 120.200 0.121 0.000 2.176 465 E HA 0.341 4.686 4.350 -0.008 0.000 0.267 465 E C -0.360 176.277 176.600 0.060 0.000 0.893 465 E CA -0.553 55.901 56.400 0.090 0.000 0.761 465 E CB 0.870 30.614 29.700 0.072 0.000 1.133 465 E HN 0.035 nan 8.360 nan 0.000 0.409 466 D N 3.073 123.506 120.400 0.054 0.000 3.038 466 D HA 0.048 4.684 4.640 -0.008 0.000 0.243 466 D C -0.295 176.001 176.300 -0.007 0.000 1.245 466 D CA 0.217 54.234 54.000 0.029 0.000 0.871 466 D CB -0.039 40.800 40.800 0.065 0.000 1.089 466 D HN 0.309 nan 8.370 nan 0.000 0.464 467 S N -1.063 114.631 115.700 -0.011 0.000 2.687 467 S HA 0.366 4.831 4.470 -0.008 0.000 0.283 467 S C 0.771 175.332 174.600 -0.065 0.000 1.170 467 S CA -0.344 57.841 58.200 -0.025 0.000 1.008 467 S CB 1.402 64.599 63.200 -0.006 0.000 1.026 467 S HN 0.283 nan 8.310 nan 0.000 0.541 468 T N -2.084 112.428 114.554 -0.069 0.000 3.708 468 T HA -0.122 4.224 4.350 -0.008 0.000 0.375 468 T C -1.960 172.629 174.700 -0.185 0.000 0.763 468 T CA 0.435 62.476 62.100 -0.098 0.000 1.915 468 T CB -2.439 66.386 68.868 -0.072 0.000 1.783 468 T HN 0.673 nan 8.240 nan 0.000 0.734 469 P HA 0.506 nan 4.420 nan 0.000 0.279 469 P C -0.112 176.761 177.300 -0.713 0.000 1.239 469 P CA -0.505 62.271 63.100 -0.539 0.000 0.789 469 P CB 1.457 32.710 31.700 -0.744 0.000 0.933 470 V N 4.654 124.174 119.914 -0.655 0.000 2.333 470 V HA 0.166 4.281 4.120 -0.008 0.000 0.274 470 V C 0.728 176.424 176.094 -0.663 0.000 1.028 470 V CA -0.003 61.916 62.300 -0.636 0.000 0.851 470 V CB 0.002 31.535 31.823 -0.485 0.000 1.000 470 V HN 0.414 nan 8.190 nan 0.000 0.456 471 F N 1.416 121.120 119.950 -0.411 0.000 2.727 471 F HA 0.169 4.691 4.527 -0.008 0.000 0.302 471 F C 1.318 176.906 175.800 -0.352 0.000 1.097 471 F CA 0.057 57.840 58.000 -0.361 0.000 1.330 471 F CB 0.285 39.106 39.000 -0.297 0.000 1.084 471 F HN 0.360 nan 8.300 nan 0.000 0.578 472 T N 4.171 118.543 114.554 -0.304 0.000 2.801 472 T HA 0.268 4.613 4.350 -0.008 0.000 0.306 472 T C -2.455 172.139 174.700 -0.177 0.000 1.020 472 T CA -1.514 60.454 62.100 -0.220 0.000 0.948 472 T CB 1.331 70.043 68.868 -0.261 0.000 0.962 472 T HN -0.178 nan 8.240 nan 0.000 0.465 473 P HA 0.383 nan 4.420 nan 0.000 0.276 473 P C -0.596 176.613 177.300 -0.150 0.000 1.244 473 P CA -0.558 62.410 63.100 -0.222 0.000 0.801 473 P CB 1.404 32.916 31.700 -0.314 0.000 1.006 474 E N 0.799 120.878 120.200 -0.202 0.000 2.299 474 E HA 0.660 5.005 4.350 -0.008 0.000 0.265 474 E C -0.613 175.977 176.600 -0.016 0.000 0.911 474 E CA -0.849 55.549 56.400 -0.003 0.000 0.789 474 E CB 1.972 31.751 29.700 0.131 0.000 1.246 474 E HN 0.358 nan 8.360 nan 0.000 0.427 475 I N 2.100 122.767 120.570 0.161 0.000 2.478 475 I HA 0.209 4.375 4.170 -0.008 0.000 0.287 475 I C -1.403 174.791 176.117 0.128 0.000 1.042 475 I CA -0.900 60.489 61.300 0.148 0.000 1.067 475 I CB 1.301 39.411 38.000 0.184 0.000 1.233 475 I HN 0.531 nan 8.210 nan 0.000 0.431 476 Y N 7.123 127.297 120.300 -0.209 0.000 2.313 476 Y HA 0.488 5.034 4.550 -0.008 0.000 0.332 476 Y C -0.602 175.100 175.900 -0.329 0.000 1.071 476 Y CA -0.385 57.379 58.100 -0.561 0.000 1.169 476 Y CB 1.242 39.123 38.460 -0.965 0.000 1.192 476 Y HN 0.231 nan 8.280 nan 0.000 0.487 477 V N 10.234 129.652 119.914 -0.826 0.000 2.275 477 V HA 0.192 4.308 4.120 -0.008 0.000 0.272 477 V C -1.547 174.031 176.094 -0.860 0.000 1.028 477 V CA -1.501 60.459 62.300 -0.566 0.000 0.810 477 V CB 1.009 32.709 31.823 -0.204 0.000 1.043 477 V HN 0.787 nan 8.190 nan 0.000 0.453 478 P HA -0.206 nan 4.420 nan 0.000 0.217 478 P C 1.037 178.218 177.300 -0.197 0.000 1.151 478 P CA 1.380 64.234 63.100 -0.411 0.000 0.849 478 P CB 0.631 32.238 31.700 -0.156 0.000 0.787 479 E N -0.487 119.623 120.200 -0.151 0.000 2.268 479 E HA -0.123 4.222 4.350 -0.008 0.000 0.195 479 E C 2.029 178.581 176.600 -0.080 0.000 0.995 479 E CA 1.044 57.401 56.400 -0.071 0.000 0.836 479 E CB -0.404 29.268 29.700 -0.047 0.000 0.763 479 E HN 0.496 nan 8.360 nan 0.000 0.491 480 Q N -0.419 119.296 119.800 -0.142 0.000 2.280 480 Q HA 0.066 4.402 4.340 -0.008 0.000 0.228 480 Q C -0.381 175.531 176.000 -0.146 0.000 0.857 480 Q CA 0.243 55.986 55.803 -0.099 0.000 0.939 480 Q CB 0.746 29.462 28.738 -0.037 0.000 1.114 480 Q HN 0.073 nan 8.270 nan 0.000 0.514 481 D N 1.156 121.383 120.400 -0.288 0.000 2.737 481 D HA -0.135 4.500 4.640 -0.008 0.000 0.238 481 D C -1.356 174.813 176.300 -0.219 0.000 1.157 481 D CA 1.020 54.874 54.000 -0.244 0.000 0.694 481 D CB -0.848 39.956 40.800 0.007 0.000 1.021 481 D HN 0.118 nan 8.370 nan 0.000 0.420 482 T N 1.154 115.434 114.554 -0.457 0.000 2.952 482 T HA 0.541 4.886 4.350 -0.008 0.000 0.305 482 T C -0.402 174.060 174.700 -0.397 0.000 1.064 482 T CA -0.603 61.311 62.100 -0.311 0.000 1.008 482 T CB 0.689 69.375 68.868 -0.304 0.000 1.078 482 T HN 0.052 nan 8.240 nan 0.000 0.459 483 F N 1.866 121.699 119.950 -0.194 0.000 2.397 483 F HA 0.642 5.164 4.527 -0.008 0.000 0.331 483 F C -0.396 175.351 175.800 -0.090 0.000 1.090 483 F CA -0.631 57.365 58.000 -0.006 0.000 1.065 483 F CB 1.073 40.120 39.000 0.079 0.000 1.184 483 F HN 0.487 nan 8.300 nan 0.000 0.499 484 Y N 1.493 121.983 120.300 0.316 0.000 2.373 484 Y HA 0.356 4.902 4.550 -0.006 0.000 0.336 484 Y C -0.173 175.751 175.900 0.041 0.000 0.979 484 Y CA -1.275 56.923 58.100 0.162 0.000 1.080 484 Y CB 1.638 40.140 38.460 0.070 0.000 1.190 484 Y HN 0.392 nan 8.280 nan 0.000 0.446 485 K N 3.249 123.612 120.400 -0.061 0.000 2.295 485 K HA 0.249 4.565 4.320 -0.008 0.000 0.270 485 K C -0.301 176.333 176.600 0.057 0.000 1.011 485 K CA -0.540 55.678 56.287 -0.115 0.000 0.953 485 K CB 0.614 32.919 32.500 -0.325 0.000 0.956 485 K HN 0.567 nan 8.250 nan 0.000 0.477 486 Q N 1.055 120.912 119.800 0.096 0.000 2.418 486 Q HA 0.263 4.598 4.340 -0.008 0.000 0.276 486 Q C -0.403 175.722 176.000 0.209 0.000 1.081 486 Q CA -1.014 54.901 55.803 0.186 0.000 0.864 486 Q CB 0.696 29.593 28.738 0.264 0.000 1.384 486 Q HN 0.462 nan 8.270 nan 0.000 0.467 487 N N 2.944 121.819 118.700 0.292 0.000 2.454 487 N HA 0.114 4.850 4.740 -0.008 0.000 0.260 487 N C -2.200 173.551 175.510 0.401 0.000 1.218 487 N CA -0.537 52.688 53.050 0.292 0.000 0.904 487 N CB 0.099 38.758 38.487 0.288 0.000 1.065 487 N HN 0.244 nan 8.380 nan 0.000 0.462 488 P HA 0.049 nan 4.420 nan 0.000 0.274 488 P C -0.461 176.789 177.300 -0.084 0.000 1.231 488 P CA -0.347 62.788 63.100 0.059 0.000 0.790 488 P CB 0.896 32.583 31.700 -0.022 0.000 0.951 489 N N 0.347 118.805 118.700 -0.404 0.000 2.592 489 N HA 0.201 4.937 4.740 -0.008 0.000 0.292 489 N C 0.099 175.369 175.510 -0.401 0.000 1.260 489 N CA -0.719 51.944 53.050 -0.646 0.000 0.910 489 N CB 0.805 38.370 38.487 -1.538 0.000 1.257 489 N HN 0.215 nan 8.380 nan 0.000 0.569 490 S N -0.787 114.707 115.700 -0.343 0.000 2.523 490 S HA 0.358 4.824 4.470 -0.008 0.000 0.217 490 S C 0.602 175.094 174.600 -0.181 0.000 0.996 490 S CA -0.350 57.631 58.200 -0.365 0.000 0.921 490 S CB 0.026 63.075 63.200 -0.252 0.000 0.829 490 S HN 0.494 nan 8.310 nan 0.000 0.495 491 I N 2.410 122.909 120.570 -0.118 0.000 2.321 491 I HA 0.257 4.423 4.170 -0.008 0.000 0.291 491 I C -0.388 175.660 176.117 -0.115 0.000 0.998 491 I CA -0.731 60.514 61.300 -0.091 0.000 1.227 491 I CB 1.546 39.447 38.000 -0.164 0.000 1.368 491 I HN -0.148 nan 8.210 nan 0.000 0.466 492 V N 7.616 127.475 119.914 -0.092 0.000 2.493 492 V HA 0.055 4.171 4.120 -0.008 0.000 0.292 492 V C 0.524 176.356 176.094 -0.436 0.000 1.016 492 V CA -0.005 62.144 62.300 -0.252 0.000 1.097 492 V CB -0.143 31.595 31.823 -0.142 0.000 0.947 492 V HN 0.588 nan 8.190 nan 0.000 0.479 493 R N 4.879 125.175 120.500 -0.340 0.000 2.402 493 R HA 0.399 4.735 4.340 -0.008 0.000 0.290 493 R C -0.120 176.076 176.300 -0.173 0.000 1.321 493 R CA -0.170 55.763 56.100 -0.279 0.000 1.283 493 R CB 1.016 31.178 30.300 -0.231 0.000 1.111 493 R HN 0.661 nan 8.270 nan 0.000 0.578 494 V N -0.896 118.943 119.914 -0.125 0.000 6.957 494 V HA 0.424 4.539 4.120 -0.008 0.000 0.264 494 V C 0.385 176.430 176.094 -0.081 0.000 1.687 494 V CA -0.804 61.487 62.300 -0.015 0.000 0.585 494 V CB -0.429 31.424 31.823 0.050 0.000 1.615 494 V HN 0.378 nan 8.190 nan 0.000 0.353 495 Y N 2.044 122.123 120.300 -0.369 0.000 2.805 495 Y HA 0.154 4.700 4.550 -0.007 0.000 0.331 495 Y C 0.900 176.492 175.900 -0.513 0.000 1.241 495 Y CA 1.335 58.931 58.100 -0.840 0.000 1.546 495 Y CB -1.340 36.369 38.460 -1.252 0.000 1.248 495 Y HN 0.778 nan 8.280 nan 0.000 0.559 496 H N 1.535 119.955 119.070 -1.083 0.000 3.025 496 H HA -0.149 4.403 4.556 -0.008 0.000 0.255 496 H C -0.113 174.929 175.328 -0.476 0.000 1.246 496 H CA 0.152 55.694 56.048 -0.843 0.000 1.107 496 H CB -1.351 28.066 29.762 -0.574 0.000 1.259 496 H HN 0.566 nan 8.280 nan 0.000 0.351 497 S N 0.557 116.078 115.700 -0.298 0.000 2.638 497 S HA 0.786 5.251 4.470 -0.008 0.000 0.298 497 S C 0.138 174.618 174.600 -0.200 0.000 1.111 497 S CA -0.451 57.626 58.200 -0.206 0.000 1.027 497 S CB 2.666 65.766 63.200 -0.167 0.000 1.064 497 S HN 0.427 nan 8.310 nan 0.000 0.525 498 I N -1.953 118.537 120.570 -0.134 0.000 3.074 498 I HA 0.901 5.067 4.170 -0.008 0.000 0.310 498 I C -0.808 175.315 176.117 0.010 0.000 1.153 498 I CA -0.792 60.458 61.300 -0.084 0.000 0.993 498 I CB 2.162 40.113 38.000 -0.083 0.000 1.237 498 I HN 0.565 nan 8.210 nan 0.000 0.443 499 S N 2.941 118.679 115.700 0.064 0.000 2.566 499 S HA 0.795 5.261 4.470 -0.008 0.000 0.273 499 S C -1.038 173.668 174.600 0.177 0.000 1.157 499 S CA -0.556 57.738 58.200 0.158 0.000 0.938 499 S CB 1.418 64.728 63.200 0.182 0.000 1.087 499 S HN 0.583 nan 8.310 nan 0.000 0.474 500 L N 2.409 123.782 121.223 0.251 0.000 2.409 500 L HA 0.603 4.938 4.340 -0.008 0.000 0.262 500 L C -1.142 175.850 176.870 0.204 0.000 0.992 500 L CA -1.015 53.948 54.840 0.205 0.000 0.817 500 L CB 1.833 44.007 42.059 0.191 0.000 1.350 500 L HN 0.516 nan 8.230 nan 0.000 0.411 501 L N 2.882 124.195 121.223 0.151 0.000 2.290 501 L HA 0.434 4.769 4.340 -0.008 0.000 0.284 501 L C -0.658 176.294 176.870 0.137 0.000 1.078 501 L CA 0.321 55.241 54.840 0.134 0.000 0.815 501 L CB 0.657 42.781 42.059 0.108 0.000 1.162 501 L HN 0.380 nan 8.230 nan 0.000 0.435 502 L N 7.030 128.349 121.223 0.159 0.000 2.399 502 L HA 0.364 4.699 4.340 -0.008 0.000 0.266 502 L C -1.301 175.665 176.870 0.161 0.000 1.114 502 L CA -1.616 53.315 54.840 0.152 0.000 0.804 502 L CB 0.623 42.792 42.059 0.183 0.000 1.146 502 L HN 0.513 nan 8.230 nan 0.000 0.451 503 P HA -0.169 nan 4.420 nan 0.000 0.220 503 P C 0.333 177.726 177.300 0.155 0.000 1.144 503 P CA 1.016 64.164 63.100 0.081 0.000 0.800 503 P CB 0.001 31.730 31.700 0.049 0.000 0.772 504 D N -2.394 118.097 120.400 0.152 0.000 2.328 504 D HA 0.135 4.771 4.640 -0.008 0.000 0.226 504 D C 1.345 177.750 176.300 0.175 0.000 1.066 504 D CA 0.345 54.433 54.000 0.146 0.000 0.861 504 D CB -1.018 39.826 40.800 0.073 0.000 0.912 504 D HN 0.154 nan 8.370 nan 0.000 0.521 505 G N 0.073 109.006 108.800 0.222 0.000 2.143 505 G HA2 -0.328 3.628 3.960 -0.008 0.000 0.249 505 G HA3 -0.328 3.628 3.960 -0.008 0.000 0.249 505 G C 0.234 175.193 174.900 0.098 0.000 0.981 505 G CA -0.006 45.136 45.100 0.070 0.000 0.665 505 G HN 0.471 nan 8.290 nan 0.000 0.528 506 R N -0.893 119.651 120.500 0.072 0.000 2.643 506 R HA 0.652 4.988 4.340 -0.008 0.000 0.272 506 R C -0.133 176.188 176.300 0.035 0.000 0.995 506 R CA -0.770 55.327 56.100 -0.004 0.000 1.032 506 R CB 1.875 32.177 30.300 0.004 0.000 1.126 506 R HN 0.070 nan 8.270 nan 0.000 0.505 507 V N 2.382 122.271 119.914 -0.041 0.000 2.427 507 V HA 0.265 4.381 4.120 -0.008 0.000 0.286 507 V C -0.674 175.513 176.094 0.155 0.000 1.034 507 V CA -0.521 61.790 62.300 0.019 0.000 0.893 507 V CB 1.142 32.841 31.823 -0.206 0.000 0.982 507 V HN 0.519 nan 8.190 nan 0.000 0.452 508 F N 5.639 125.644 119.950 0.091 0.000 2.361 508 F HA 0.456 4.977 4.527 -0.010 0.000 0.364 508 F C 0.200 176.077 175.800 0.128 0.000 1.120 508 F CA -0.134 57.934 58.000 0.113 0.000 1.102 508 F CB 0.534 39.625 39.000 0.151 0.000 1.183 508 F HN 0.583 nan 8.300 nan 0.000 0.476 509 N N 4.655 123.274 118.700 -0.134 0.000 2.399 509 N HA 0.678 5.413 4.740 -0.008 0.000 0.284 509 N C -0.851 174.508 175.510 -0.252 0.000 1.025 509 N CA -0.290 52.743 53.050 -0.030 0.000 0.885 509 N CB 1.678 40.337 38.487 0.285 0.000 1.339 509 N HN 0.864 nan 8.380 nan 0.000 0.487 510 G N 0.937 109.594 108.800 -0.238 0.000 2.606 510 G HA2 0.683 4.638 3.960 -0.008 0.000 0.300 510 G HA3 0.683 4.638 3.960 -0.008 0.000 0.300 510 G C -0.260 174.547 174.900 -0.155 0.000 1.360 510 G CA 0.004 44.956 45.100 -0.245 0.000 0.783 510 G HN 0.901 nan 8.290 nan 0.000 0.484 511 G N -1.609 107.117 108.800 -0.124 0.000 2.615 511 G HA2 0.543 4.499 3.960 -0.008 0.000 0.218 511 G HA3 0.543 4.499 3.960 -0.008 0.000 0.218 511 G C 0.815 175.661 174.900 -0.090 0.000 1.339 511 G CA 1.096 46.133 45.100 -0.105 0.000 0.884 511 G HN 3.044 nan 8.290 nan 0.000 0.559 512 G N -2.155 106.602 108.800 -0.072 0.000 3.069 512 G HA2 0.564 4.519 3.960 -0.008 0.000 0.686 512 G HA3 0.564 4.519 3.960 -0.008 0.000 0.686 512 G C 0.919 175.885 174.900 0.109 0.000 1.161 512 G CA 0.637 45.733 45.100 -0.007 0.000 0.804 512 G HN 3.194 nan 8.290 nan 0.000 0.608 513 G N 0.494 109.405 108.800 0.185 0.000 2.893 513 G HA2 0.362 4.318 3.960 -0.008 0.000 0.222 513 G HA3 0.362 4.318 3.960 -0.008 0.000 0.222 513 G C 0.474 175.648 174.900 0.455 0.000 1.345 513 G CA 0.734 46.000 45.100 0.277 0.000 1.129 513 G HN 2.593 nan 8.290 nan 0.000 0.560 514 L N -0.731 120.584 121.223 0.154 0.000 3.533 514 L HA -0.164 4.172 4.340 -0.008 0.000 0.477 514 L C 1.037 178.004 176.870 0.162 0.000 1.306 514 L CA 1.507 56.419 54.840 0.120 0.000 0.850 514 L CB -1.426 40.706 42.059 0.122 0.000 1.654 514 L HN 1.927 nan 8.230 nan 0.000 0.863 515 C N -1.377 117.891 119.300 -0.053 0.000 2.913 515 C HA 0.796 5.252 4.460 -0.008 0.000 0.246 515 C C 1.924 176.768 174.990 -0.244 0.000 1.857 515 C CA -0.390 58.438 59.018 -0.316 0.000 1.690 515 C CB -0.607 26.783 27.740 -0.584 0.000 3.235 515 C HN 1.616 nan 8.230 nan 0.000 0.475 516 G N 2.415 111.106 108.800 -0.182 0.000 2.634 516 G HA2 -0.341 3.615 3.960 -0.008 0.000 0.318 516 G HA3 -0.341 3.615 3.960 -0.008 0.000 0.318 516 G C 0.538 175.380 174.900 -0.097 0.000 1.207 516 G CA 1.153 46.163 45.100 -0.149 0.000 0.987 516 G HN 0.443 nan 8.290 nan 0.000 0.547 517 D N 1.721 122.062 120.400 -0.098 0.000 2.378 517 D HA 0.054 4.689 4.640 -0.008 0.000 0.227 517 D C 1.808 178.073 176.300 -0.058 0.000 1.012 517 D CA 1.098 55.058 54.000 -0.067 0.000 0.905 517 D CB -0.985 39.777 40.800 -0.063 0.000 0.895 517 D HN 0.838 nan 8.370 nan 0.000 0.532 518 C N 0.541 119.798 119.300 -0.072 0.000 2.700 518 C HA 0.269 4.724 4.460 -0.008 0.000 0.397 518 C C 2.166 177.126 174.990 -0.049 0.000 1.301 518 C CA -0.308 58.678 59.018 -0.054 0.000 2.219 518 C CB 0.269 27.978 27.740 -0.052 0.000 2.699 518 C HN 0.299 nan 8.230 nan 0.000 0.669 519 T N -2.439 112.083 114.554 -0.053 0.000 3.107 519 T HA 0.019 4.365 4.350 -0.008 0.000 0.249 519 T C 1.016 175.626 174.700 -0.151 0.000 1.096 519 T CA 0.837 62.882 62.100 -0.092 0.000 1.012 519 T CB -0.816 67.999 68.868 -0.088 0.000 0.977 519 T HN 0.998 nan 8.240 nan 0.000 0.527 520 T N -0.186 114.305 114.554 -0.106 0.000 3.188 520 T HA 0.196 4.542 4.350 -0.008 0.000 0.250 520 T C 0.391 174.955 174.700 -0.226 0.000 1.077 520 T CA -0.681 61.338 62.100 -0.136 0.000 0.967 520 T CB -0.461 68.430 68.868 0.038 0.000 1.006 520 T HN 0.129 nan 8.240 nan 0.000 0.552 521 N N 2.804 121.358 118.700 -0.243 0.000 2.442 521 N HA 0.167 4.902 4.740 -0.008 0.000 0.265 521 N C -1.034 174.202 175.510 -0.456 0.000 1.138 521 N CA -0.052 52.810 53.050 -0.312 0.000 0.956 521 N CB 0.511 38.819 38.487 -0.298 0.000 1.067 521 N HN 0.509 nan 8.380 nan 0.000 0.474 522 H N 1.769 120.691 119.070 -0.245 0.000 2.661 522 H HA 0.243 4.795 4.556 -0.008 0.000 0.290 522 H C -0.257 174.963 175.328 -0.179 0.000 1.082 522 H CA -0.415 55.558 56.048 -0.126 0.000 1.234 522 H CB 0.088 29.793 29.762 -0.096 0.000 1.387 522 H HN 0.444 nan 8.280 nan 0.000 0.476 523 F N 3.098 123.103 119.950 0.091 0.000 2.833 523 F HA 0.171 4.693 4.527 -0.009 0.000 0.327 523 F C -0.047 175.833 175.800 0.132 0.000 1.184 523 F CA -0.479 57.586 58.000 0.108 0.000 1.328 523 F CB -0.509 38.572 39.000 0.135 0.000 1.440 523 F HN 0.586 nan 8.300 nan 0.000 0.569 524 D N -0.548 119.969 120.400 0.195 0.000 2.851 524 D HA 0.784 5.419 4.640 -0.008 0.000 0.339 524 D C -1.220 175.050 176.300 -0.051 0.000 1.347 524 D CA -1.037 53.027 54.000 0.106 0.000 0.888 524 D CB 1.171 42.060 40.800 0.148 0.000 1.431 524 D HN 0.063 nan 8.370 nan 0.000 0.509 525 A N -0.891 121.832 122.820 -0.162 0.000 2.608 525 A HA 0.689 5.004 4.320 -0.008 0.000 0.292 525 A C -1.653 175.754 177.584 -0.295 0.000 1.066 525 A CA -0.798 51.010 52.037 -0.381 0.000 0.676 525 A CB 1.629 20.081 19.000 -0.912 0.000 1.277 525 A HN 0.484 nan 8.150 nan 0.000 0.413 526 Q N 0.250 119.923 119.800 -0.211 0.000 2.458 526 Q HA 0.634 4.970 4.340 -0.008 0.000 0.282 526 Q C -1.196 174.836 176.000 0.054 0.000 1.106 526 Q CA -0.996 54.824 55.803 0.029 0.000 0.814 526 Q CB 2.271 31.189 28.738 0.300 0.000 1.425 526 Q HN 0.605 nan 8.270 nan 0.000 0.437 527 I N 1.454 122.090 120.570 0.111 0.000 2.377 527 I HA 0.348 4.514 4.170 -0.008 0.000 0.293 527 I C -0.781 175.293 176.117 -0.072 0.000 0.987 527 I CA -0.475 60.857 61.300 0.053 0.000 1.185 527 I CB 0.809 38.852 38.000 0.071 0.000 1.341 527 I HN 0.549 nan 8.210 nan 0.000 0.455 528 F N 5.030 124.689 119.950 -0.486 0.000 2.444 528 F HA 0.466 4.992 4.527 -0.002 0.000 0.342 528 F C 0.001 175.461 175.800 -0.567 0.000 1.121 528 F CA -0.272 57.173 58.000 -0.926 0.000 0.997 528 F CB 1.404 39.500 39.000 -1.506 0.000 1.130 528 F HN 0.342 nan 8.300 nan 0.000 0.454 529 T N 8.332 122.205 114.554 -1.136 0.000 2.801 529 T HA 0.333 4.678 4.350 -0.008 0.000 0.306 529 T C -2.546 171.507 174.700 -1.079 0.000 1.020 529 T CA -1.276 60.351 62.100 -0.789 0.000 0.948 529 T CB 0.930 69.561 68.868 -0.395 0.000 0.962 529 T HN 0.334 nan 8.240 nan 0.000 0.465 530 P HA 0.069 nan 4.420 nan 0.000 0.269 530 P C 0.887 177.849 177.300 -0.563 0.000 1.217 530 P CA -0.165 62.381 63.100 -0.923 0.000 0.783 530 P CB 0.572 31.421 31.700 -1.419 0.000 0.898 531 N N 1.440 119.945 118.700 -0.325 0.000 2.348 531 N HA -0.220 4.516 4.740 -0.008 0.000 0.185 531 N C 1.304 176.834 175.510 0.033 0.000 1.019 531 N CA 1.246 54.274 53.050 -0.037 0.000 0.880 531 N CB -0.678 37.771 38.487 -0.064 0.000 0.965 531 N HN 0.455 nan 8.380 nan 0.000 0.437 532 Y N -1.045 119.233 120.300 -0.037 0.000 2.639 532 Y HA 0.168 4.711 4.550 -0.012 0.000 0.297 532 Y C 0.924 176.752 175.900 -0.119 0.000 1.151 532 Y CA 0.177 58.232 58.100 -0.076 0.000 1.335 532 Y CB -0.875 37.522 38.460 -0.105 0.000 0.994 532 Y HN 0.054 nan 8.280 nan 0.000 0.548 533 L N 0.074 121.344 121.223 0.077 0.000 2.791 533 L HA 0.272 4.608 4.340 -0.008 0.000 0.239 533 L C -1.104 175.499 176.870 -0.446 0.000 1.203 533 L CA -0.128 54.607 54.840 -0.175 0.000 1.002 533 L CB -0.269 41.609 42.059 -0.301 0.000 1.295 533 L HN 0.074 nan 8.230 nan 0.000 0.504 534 Y N -0.771 119.513 120.300 -0.026 0.000 2.524 534 Y HA 0.300 4.853 4.550 0.005 0.000 0.347 534 Y C 0.117 176.002 175.900 -0.026 0.000 1.005 534 Y CA -1.617 56.459 58.100 -0.040 0.000 1.025 534 Y CB 1.326 39.744 38.460 -0.070 0.000 1.275 534 Y HN 0.066 nan 8.280 nan 0.000 0.460 535 N N -1.285 117.508 118.700 0.154 0.000 2.491 535 N HA 0.306 5.042 4.740 -0.008 0.000 0.279 535 N C 0.516 176.064 175.510 0.064 0.000 1.236 535 N CA -0.443 52.654 53.050 0.079 0.000 0.982 535 N CB 0.418 38.935 38.487 0.050 0.000 1.194 535 N HN 0.426 nan 8.380 nan 0.000 0.582 536 S N -0.637 115.082 115.700 0.033 0.000 2.387 536 S HA -0.201 4.264 4.470 -0.008 0.000 0.230 536 S C 1.031 175.637 174.600 0.009 0.000 1.035 536 S CA 1.554 59.763 58.200 0.015 0.000 1.014 536 S CB -0.906 62.299 63.200 0.009 0.000 0.836 536 S HN 0.645 nan 8.310 nan 0.000 0.466 537 N N 0.414 119.125 118.700 0.019 0.000 2.550 537 N HA 0.167 4.902 4.740 -0.008 0.000 0.186 537 N C 1.142 176.657 175.510 0.009 0.000 1.110 537 N CA 0.403 53.461 53.050 0.014 0.000 0.912 537 N CB 0.044 38.543 38.487 0.021 0.000 0.968 537 N HN 0.510 nan 8.380 nan 0.000 0.448 538 G N 0.000 108.806 108.800 0.009 0.000 2.157 538 G HA2 -0.235 3.720 3.960 -0.008 0.000 0.248 538 G HA3 -0.235 3.720 3.960 -0.008 0.000 0.248 538 G C -0.264 174.683 174.900 0.078 0.000 0.979 538 G CA -0.384 44.692 45.100 -0.039 0.000 0.650 538 G HN 0.245 nan 8.290 nan 0.000 0.529 539 N N -0.286 118.500 118.700 0.143 0.000 2.476 539 N HA 0.584 5.319 4.740 -0.008 0.000 0.276 539 N C 0.547 176.191 175.510 0.224 0.000 1.204 539 N CA -0.587 52.565 53.050 0.169 0.000 0.974 539 N CB 0.802 39.339 38.487 0.083 0.000 1.204 539 N HN 0.186 nan 8.380 nan 0.000 0.543 540 L N 1.403 122.684 121.223 0.097 0.000 2.361 540 L HA 0.258 4.593 4.340 -0.008 0.000 0.278 540 L C 0.984 177.830 176.870 -0.040 0.000 1.113 540 L CA -0.461 54.336 54.840 -0.072 0.000 0.849 540 L CB 0.347 42.340 42.059 -0.108 0.000 1.155 540 L HN 0.500 nan 8.230 nan 0.000 0.452 541 A N 3.194 125.977 122.820 -0.061 0.000 2.346 541 A HA 0.370 4.686 4.320 -0.008 0.000 0.252 541 A C 0.330 177.893 177.584 -0.034 0.000 1.089 541 A CA -0.291 51.729 52.037 -0.027 0.000 0.797 541 A CB 0.186 19.175 19.000 -0.018 0.000 1.047 541 A HN 0.674 nan 8.150 nan 0.000 0.494 542 T N 2.249 116.792 114.554 -0.018 0.000 2.794 542 T HA 0.366 4.712 4.350 -0.008 0.000 0.296 542 T C 0.238 174.925 174.700 -0.021 0.000 0.949 542 T CA 0.128 62.218 62.100 -0.016 0.000 1.101 542 T CB 0.095 68.959 68.868 -0.007 0.000 0.905 542 T HN 0.585 nan 8.240 nan 0.000 0.516 543 R N 3.894 124.380 120.500 -0.024 0.000 2.428 543 R HA 0.412 4.748 4.340 -0.008 0.000 0.294 543 R C -2.318 173.973 176.300 -0.015 0.000 1.000 543 R CA -2.021 54.064 56.100 -0.025 0.000 0.960 543 R CB 0.471 30.755 30.300 -0.026 0.000 1.076 543 R HN 0.430 nan 8.270 nan 0.000 0.475 544 P HA 0.058 nan 4.420 nan 0.000 0.269 544 P C -1.054 176.247 177.300 0.001 0.000 1.215 544 P CA -0.157 62.939 63.100 -0.006 0.000 0.780 544 P CB 0.825 32.515 31.700 -0.017 0.000 0.898 545 K N 1.824 122.230 120.400 0.010 0.000 2.244 545 K HA 0.485 4.800 4.320 -0.008 0.000 0.260 545 K C -0.253 176.361 176.600 0.022 0.000 0.951 545 K CA -0.683 55.611 56.287 0.012 0.000 0.826 545 K CB 1.047 33.554 32.500 0.011 0.000 1.108 545 K HN 0.404 nan 8.250 nan 0.000 0.433 546 I N 4.105 124.687 120.570 0.019 0.000 2.281 546 I HA 0.012 4.177 4.170 -0.008 0.000 0.293 546 I C 1.406 177.541 176.117 0.030 0.000 1.085 546 I CA -0.118 61.201 61.300 0.032 0.000 1.257 546 I CB 0.978 38.993 38.000 0.025 0.000 1.430 546 I HN 0.828 nan 8.210 nan 0.000 0.489 547 T N 3.081 117.658 114.554 0.038 0.000 3.043 547 T HA 0.110 4.455 4.350 -0.008 0.000 0.263 547 T C 0.950 175.666 174.700 0.028 0.000 1.094 547 T CA 0.377 62.495 62.100 0.029 0.000 1.127 547 T CB 0.332 69.217 68.868 0.029 0.000 0.905 547 T HN 0.485 nan 8.240 nan 0.000 0.490 548 R N 0.882 121.405 120.500 0.038 0.000 2.629 548 R HA 0.444 4.780 4.340 -0.008 0.000 0.266 548 R C -1.679 174.646 176.300 0.041 0.000 1.051 548 R CA -0.298 55.820 56.100 0.031 0.000 0.895 548 R CB 2.175 32.489 30.300 0.023 0.000 1.246 548 R HN 0.398 nan 8.270 nan 0.000 0.459 549 T N -1.079 113.492 114.554 0.029 0.000 2.921 549 T HA 0.172 4.517 4.350 -0.008 0.000 0.297 549 T C 1.002 175.704 174.700 0.004 0.000 1.013 549 T CA -0.520 61.597 62.100 0.028 0.000 0.990 549 T CB 1.734 70.625 68.868 0.039 0.000 1.023 549 T HN 0.549 nan 8.240 nan 0.000 0.447 550 S N 1.878 117.567 115.700 -0.018 0.000 2.419 550 S HA 0.134 4.599 4.470 -0.008 0.000 0.233 550 S C 0.953 175.535 174.600 -0.031 0.000 1.016 550 S CA 0.947 59.127 58.200 -0.033 0.000 0.974 550 S CB -0.408 62.756 63.200 -0.061 0.000 0.786 550 S HN 1.199 nan 8.310 nan 0.000 0.492 551 T N -0.900 113.638 114.554 -0.026 0.000 2.775 551 T HA 0.323 4.668 4.350 -0.008 0.000 0.320 551 T C -1.510 173.193 174.700 0.004 0.000 1.597 551 T CA -0.682 61.408 62.100 -0.017 0.000 1.022 551 T CB 1.312 70.160 68.868 -0.033 0.000 1.485 551 T HN 0.070 nan 8.240 nan 0.000 0.494 552 Q N 0.704 120.516 119.800 0.020 0.000 2.127 552 Q HA 0.299 4.635 4.340 -0.008 0.000 0.222 552 Q C -0.362 175.673 176.000 0.059 0.000 0.794 552 Q CA -0.191 55.643 55.803 0.051 0.000 1.010 552 Q CB 1.426 30.201 28.738 0.061 0.000 1.170 552 Q HN 0.411 nan 8.270 nan 0.000 0.479 553 S N 0.775 116.490 115.700 0.025 0.000 2.779 553 S HA 0.519 4.984 4.470 -0.008 0.000 0.293 553 S C -1.443 173.149 174.600 -0.014 0.000 1.150 553 S CA -0.491 57.715 58.200 0.011 0.000 1.057 553 S CB 1.544 64.745 63.200 0.002 0.000 1.021 553 S HN 0.087 nan 8.310 nan 0.000 0.485 554 V N 5.580 125.482 119.914 -0.021 0.000 2.789 554 V HA 0.613 4.729 4.120 -0.008 0.000 0.311 554 V C -0.471 175.594 176.094 -0.048 0.000 1.073 554 V CA -0.870 61.404 62.300 -0.044 0.000 0.921 554 V CB 1.930 33.716 31.823 -0.062 0.000 1.009 554 V HN 0.913 nan 8.190 nan 0.000 0.426 555 K N 3.962 124.332 120.400 -0.051 0.000 2.154 555 K HA 0.520 4.836 4.320 -0.008 0.000 0.264 555 K C -0.252 176.313 176.600 -0.058 0.000 1.008 555 K CA -0.417 55.842 56.287 -0.047 0.000 0.937 555 K CB 1.556 34.031 32.500 -0.042 0.000 1.002 555 K HN 0.808 nan 8.250 nan 0.000 0.469 556 V N 1.244 121.126 119.914 -0.054 0.000 2.557 556 V HA 0.265 4.381 4.120 -0.008 0.000 0.301 556 V C 0.973 177.032 176.094 -0.059 0.000 1.026 556 V CA 0.621 62.883 62.300 -0.065 0.000 1.137 556 V CB -0.032 31.758 31.823 -0.055 0.000 0.917 556 V HN 1.110 nan 8.190 nan 0.000 0.484 557 G N 2.587 111.350 108.800 -0.062 0.000 2.234 557 G HA2 -0.094 3.861 3.960 -0.008 0.000 0.235 557 G HA3 -0.094 3.861 3.960 -0.008 0.000 0.235 557 G C 0.697 175.563 174.900 -0.057 0.000 0.997 557 G CA 0.067 45.136 45.100 -0.052 0.000 0.623 557 G HN 1.767 nan 8.290 nan 0.000 0.514 558 G N -0.251 108.508 108.800 -0.068 0.000 2.634 558 G HA2 0.557 4.513 3.960 -0.008 0.000 0.255 558 G HA3 0.557 4.513 3.960 -0.008 0.000 0.255 558 G C 0.013 174.843 174.900 -0.117 0.000 1.205 558 G CA -0.215 44.836 45.100 -0.083 0.000 0.884 558 G HN 0.556 nan 8.290 nan 0.000 0.549 559 R N -1.027 119.384 120.500 -0.148 0.000 2.711 559 R HA 0.594 4.929 4.340 -0.008 0.000 0.284 559 R C -0.590 175.517 176.300 -0.320 0.000 0.968 559 R CA -0.595 55.364 56.100 -0.236 0.000 0.924 559 R CB 2.174 32.370 30.300 -0.172 0.000 1.162 559 R HN 0.368 nan 8.270 nan 0.000 0.465 560 I N 0.950 121.166 120.570 -0.592 0.000 2.545 560 I HA 0.357 4.522 4.170 -0.008 0.000 0.292 560 I C -0.523 175.285 176.117 -0.513 0.000 1.040 560 I CA -0.702 60.256 61.300 -0.570 0.000 1.068 560 I CB 2.630 40.192 38.000 -0.730 0.000 1.251 560 I HN 0.498 nan 8.210 nan 0.000 0.424 561 T N 6.541 120.955 114.554 -0.232 0.000 2.792 561 T HA 0.654 4.999 4.350 -0.008 0.000 0.280 561 T C -0.261 174.434 174.700 -0.009 0.000 0.990 561 T CA -0.416 61.624 62.100 -0.100 0.000 0.960 561 T CB 1.312 70.139 68.868 -0.067 0.000 0.939 561 T HN 0.484 nan 8.240 nan 0.000 0.439 562 I N -0.770 119.854 120.570 0.091 0.000 3.067 562 I HA 0.905 5.071 4.170 -0.008 0.000 0.312 562 I C -0.666 175.539 176.117 0.146 0.000 1.073 562 I CA -0.943 60.436 61.300 0.131 0.000 1.016 562 I CB 2.446 40.565 38.000 0.199 0.000 1.227 562 I HN 0.382 nan 8.210 nan 0.000 0.456 563 S N 1.166 116.939 115.700 0.122 0.000 2.594 563 S HA 0.633 5.098 4.470 -0.008 0.000 0.296 563 S C -0.337 174.335 174.600 0.120 0.000 1.124 563 S CA -0.632 57.635 58.200 0.111 0.000 1.011 563 S CB 1.798 65.030 63.200 0.053 0.000 1.016 563 S HN 0.910 nan 8.310 nan 0.000 0.485 564 T N -1.390 113.259 114.554 0.159 0.000 2.942 564 T HA 0.492 4.837 4.350 -0.008 0.000 0.289 564 T C 0.330 175.086 174.700 0.093 0.000 1.044 564 T CA -0.785 61.389 62.100 0.123 0.000 1.023 564 T CB 1.289 70.242 68.868 0.142 0.000 1.123 564 T HN 0.466 nan 8.240 nan 0.000 0.512 565 D N -0.171 120.267 120.400 0.062 0.000 2.355 565 D HA 0.115 4.750 4.640 -0.008 0.000 0.218 565 D C 0.576 176.905 176.300 0.048 0.000 1.004 565 D CA 0.027 54.054 54.000 0.045 0.000 0.880 565 D CB -0.208 40.609 40.800 0.028 0.000 0.911 565 D HN 0.695 nan 8.370 nan 0.000 0.528 566 S N -1.231 114.509 115.700 0.066 0.000 2.565 566 S HA 0.462 4.927 4.470 -0.008 0.000 0.269 566 S C -0.564 174.100 174.600 0.106 0.000 1.153 566 S CA -0.765 57.474 58.200 0.065 0.000 0.835 566 S CB 1.166 64.388 63.200 0.036 0.000 1.122 566 S HN 0.168 nan 8.310 nan 0.000 0.462 567 S N 1.472 117.240 115.700 0.113 0.000 2.537 567 S HA 0.451 4.916 4.470 -0.008 0.000 0.286 567 S C 0.430 175.072 174.600 0.070 0.000 1.299 567 S CA -0.700 57.607 58.200 0.178 0.000 1.067 567 S CB -0.810 62.478 63.200 0.147 0.000 0.864 567 S HN 1.104 nan 8.310 nan 0.000 0.494 568 I N 0.114 120.665 120.570 -0.031 0.000 2.460 568 I HA 0.534 4.699 4.170 -0.008 0.000 0.298 568 I C 0.753 176.757 176.117 -0.187 0.000 0.989 568 I CA -0.889 60.295 61.300 -0.193 0.000 1.173 568 I CB 2.083 39.864 38.000 -0.365 0.000 1.338 568 I HN 0.689 nan 8.210 nan 0.000 0.456 569 S N 3.504 119.131 115.700 -0.122 0.000 2.468 569 S HA 0.296 4.761 4.470 -0.008 0.000 0.226 569 S C 0.621 175.160 174.600 -0.101 0.000 1.051 569 S CA -0.008 58.144 58.200 -0.081 0.000 0.943 569 S CB -0.008 63.164 63.200 -0.045 0.000 0.810 569 S HN 0.733 nan 8.310 nan 0.000 0.509 570 K N 0.500 120.824 120.400 -0.126 0.000 2.435 570 K HA 0.810 5.125 4.320 -0.008 0.000 0.251 570 K C -1.538 174.972 176.600 -0.151 0.000 0.954 570 K CA -0.628 55.587 56.287 -0.120 0.000 0.820 570 K CB 2.452 34.898 32.500 -0.091 0.000 1.292 570 K HN 0.269 nan 8.250 nan 0.000 0.436 571 A N 0.734 123.462 122.820 -0.153 0.000 2.515 571 A HA 0.765 5.080 4.320 -0.008 0.000 0.298 571 A C -1.298 176.188 177.584 -0.163 0.000 1.059 571 A CA -0.674 51.254 52.037 -0.182 0.000 0.698 571 A CB 1.670 20.499 19.000 -0.284 0.000 1.289 571 A HN 0.682 nan 8.150 nan 0.000 0.404 572 S N 0.572 116.205 115.700 -0.113 0.000 2.537 572 S HA 0.702 5.168 4.470 -0.008 0.000 0.271 572 S C -1.290 173.334 174.600 0.039 0.000 1.148 572 S CA -0.657 57.516 58.200 -0.045 0.000 0.868 572 S CB 0.811 64.025 63.200 0.022 0.000 1.115 572 S HN 0.747 nan 8.310 nan 0.000 0.461 573 L N 2.360 123.617 121.223 0.056 0.000 2.295 573 L HA 0.619 4.954 4.340 -0.008 0.000 0.285 573 L C -0.835 176.312 176.870 0.462 0.000 1.035 573 L CA -0.726 54.234 54.840 0.200 0.000 0.806 573 L CB 1.217 43.295 42.059 0.030 0.000 1.214 573 L HN 0.652 nan 8.230 nan 0.000 0.426 574 I N 3.773 124.631 120.570 0.479 0.000 2.439 574 I HA 0.342 4.507 4.170 -0.008 0.000 0.285 574 I C 0.037 176.221 176.117 0.112 0.000 1.021 574 I CA -0.622 60.883 61.300 0.343 0.000 1.091 574 I CB 1.920 40.090 38.000 0.283 0.000 1.242 574 I HN 0.585 nan 8.210 nan 0.000 0.439 575 R N 5.042 125.357 120.500 -0.308 0.000 2.489 575 R HA 0.162 4.497 4.340 -0.008 0.000 0.287 575 R C -0.900 175.223 176.300 -0.294 0.000 1.053 575 R CA -0.089 55.523 56.100 -0.812 0.000 1.036 575 R CB 0.445 29.888 30.300 -1.429 0.000 0.966 575 R HN 0.378 nan 8.270 nan 0.000 0.432 576 Y N 1.535 121.720 120.300 -0.192 0.000 2.712 576 Y HA 0.088 4.631 4.550 -0.011 0.000 0.333 576 Y C 1.266 177.143 175.900 -0.040 0.000 1.225 576 Y CA 1.330 59.402 58.100 -0.046 0.000 1.499 576 Y CB 0.800 39.263 38.460 0.004 0.000 1.288 576 Y HN 0.701 nan 8.280 nan 0.000 0.575 577 G N 1.011 109.898 108.800 0.145 0.000 2.489 577 G HA2 0.629 4.585 3.960 -0.008 0.000 0.327 577 G HA3 0.629 4.585 3.960 -0.008 0.000 0.327 577 G C -0.980 173.986 174.900 0.110 0.000 1.189 577 G CA -0.748 44.412 45.100 0.099 0.000 0.962 577 G HN 0.608 nan 8.290 nan 0.000 0.486 578 T N -2.776 111.825 114.554 0.079 0.000 2.906 578 T HA 0.823 5.168 4.350 -0.008 0.000 0.295 578 T C -0.508 174.197 174.700 0.009 0.000 1.061 578 T CA -0.428 61.713 62.100 0.067 0.000 1.000 578 T CB 2.071 71.007 68.868 0.114 0.000 1.103 578 T HN 1.737 nan 8.240 nan 0.000 0.486 579 A N 1.012 123.800 122.820 -0.053 0.000 2.574 579 A HA 0.899 5.215 4.320 -0.008 0.000 0.297 579 A C -0.386 177.082 177.584 -0.193 0.000 1.062 579 A CA -0.791 51.185 52.037 -0.100 0.000 0.686 579 A CB 1.843 20.804 19.000 -0.066 0.000 1.285 579 A HN 1.315 nan 8.150 nan 0.000 0.403 580 T N 0.192 114.631 114.554 -0.193 0.000 3.343 580 T HA 0.463 4.809 4.350 -0.008 0.000 0.383 580 T C -0.828 173.745 174.700 -0.212 0.000 1.615 580 T CA -0.102 61.867 62.100 -0.219 0.000 1.153 580 T CB 0.158 68.918 68.868 -0.180 0.000 1.434 580 T HN 1.657 nan 8.240 nan 0.000 0.476 581 H N 2.218 120.973 119.070 -0.525 0.000 2.690 581 H HA -0.217 4.334 4.556 -0.008 0.000 0.309 581 H C 1.323 176.269 175.328 -0.637 0.000 1.138 581 H CA 2.706 58.330 56.048 -0.706 0.000 1.142 581 H CB -1.965 27.153 29.762 -1.073 0.000 1.410 581 H HN 1.438 nan 8.280 nan 0.000 0.409 582 T N -6.002 108.343 114.554 -0.347 0.000 6.974 582 T HA -0.262 4.084 4.350 -0.008 0.000 0.287 582 T C 0.260 174.802 174.700 -0.262 0.000 2.146 582 T CA 0.765 62.686 62.100 -0.299 0.000 3.451 582 T CB -2.164 66.526 68.868 -0.296 0.000 1.630 582 T HN 0.462 nan 8.240 nan 0.000 1.173 583 V N 2.076 121.849 119.914 -0.236 0.000 2.439 583 V HA 0.760 4.875 4.120 -0.008 0.000 0.282 583 V C 0.282 176.300 176.094 -0.127 0.000 1.039 583 V CA -0.382 61.820 62.300 -0.163 0.000 0.913 583 V CB 1.631 33.387 31.823 -0.112 0.000 0.983 583 V HN 0.609 nan 8.190 nan 0.000 0.460 584 N N 2.465 121.095 118.700 -0.118 0.000 2.701 584 N HA 0.124 4.859 4.740 -0.008 0.000 0.258 584 N C 0.446 175.906 175.510 -0.083 0.000 1.262 584 N CA 0.166 53.175 53.050 -0.068 0.000 0.780 584 N CB 1.859 40.324 38.487 -0.038 0.000 1.380 584 N HN 0.718 nan 8.380 nan 0.000 0.548 585 T N -1.766 112.743 114.554 -0.074 0.000 3.107 585 T HA 0.146 4.491 4.350 -0.008 0.000 0.249 585 T C 0.660 175.365 174.700 0.007 0.000 1.096 585 T CA 0.452 62.491 62.100 -0.101 0.000 1.012 585 T CB 0.427 69.249 68.868 -0.077 0.000 0.977 585 T HN 0.151 nan 8.240 nan 0.000 0.527 586 D N 1.899 122.315 120.400 0.026 0.000 2.262 586 D HA 0.017 4.652 4.640 -0.008 0.000 0.212 586 D C 1.241 177.533 176.300 -0.013 0.000 0.964 586 D CA 0.426 54.442 54.000 0.027 0.000 0.875 586 D CB -0.022 40.805 40.800 0.045 0.000 0.996 586 D HN 0.729 nan 8.370 nan 0.000 0.497 587 Q N 1.569 121.380 119.800 0.018 0.000 2.352 587 Q HA 0.292 4.627 4.340 -0.008 0.000 0.260 587 Q C -0.147 175.895 176.000 0.071 0.000 0.976 587 Q CA -0.193 55.617 55.803 0.013 0.000 0.881 587 Q CB 0.870 29.643 28.738 0.060 0.000 1.235 587 Q HN 0.052 nan 8.270 nan 0.000 0.419 588 R N 0.446 120.970 120.500 0.040 0.000 2.739 588 R HA 0.456 4.791 4.340 -0.008 0.000 0.266 588 R C -1.868 174.561 176.300 0.215 0.000 1.044 588 R CA -1.058 55.133 56.100 0.152 0.000 0.885 588 R CB 1.215 31.640 30.300 0.209 0.000 1.260 588 R HN 0.803 nan 8.270 nan 0.000 0.477 589 R N 2.543 123.200 120.500 0.262 0.000 2.637 589 R HA 0.609 4.944 4.340 -0.008 0.000 0.291 589 R C -1.083 175.385 176.300 0.280 0.000 0.963 589 R CA -0.729 55.548 56.100 0.294 0.000 0.901 589 R CB 1.585 32.016 30.300 0.218 0.000 1.160 589 R HN 0.717 nan 8.270 nan 0.000 0.457 590 I N 5.428 126.156 120.570 0.263 0.000 2.410 590 I HA 0.344 4.509 4.170 -0.008 0.000 0.286 590 I C -2.300 173.845 176.117 0.046 0.000 1.009 590 I CA -2.631 58.745 61.300 0.127 0.000 1.111 590 I CB 2.377 40.390 38.000 0.022 0.000 1.262 590 I HN 0.452 nan 8.210 nan 0.000 0.443 591 P HA 0.270 nan 4.420 nan 0.000 0.282 591 P C -0.854 176.419 177.300 -0.045 0.000 1.262 591 P CA -0.127 62.972 63.100 -0.002 0.000 0.773 591 P CB 0.610 32.323 31.700 0.022 0.000 0.879 592 L N 3.161 124.322 121.223 -0.104 0.000 2.289 592 L HA 0.393 4.729 4.340 -0.008 0.000 0.285 592 L C 0.742 177.574 176.870 -0.065 0.000 1.049 592 L CA -0.501 54.256 54.840 -0.139 0.000 0.804 592 L CB 1.144 42.975 42.059 -0.380 0.000 1.195 592 L HN 0.345 nan 8.230 nan 0.000 0.428 593 T N 1.805 116.360 114.554 0.002 0.000 2.727 593 T HA 0.521 4.866 4.350 -0.008 0.000 0.298 593 T C -0.167 174.582 174.700 0.082 0.000 0.942 593 T CA -0.676 61.444 62.100 0.033 0.000 0.997 593 T CB 0.193 69.085 68.868 0.041 0.000 0.917 593 T HN 0.280 nan 8.240 nan 0.000 0.487 594 L N 3.202 124.470 121.223 0.075 0.000 2.375 594 L HA 0.447 4.782 4.340 -0.008 0.000 0.271 594 L C 0.723 177.691 176.870 0.163 0.000 1.107 594 L CA -0.656 54.272 54.840 0.146 0.000 0.806 594 L CB 1.174 43.295 42.059 0.104 0.000 1.146 594 L HN 0.654 nan 8.230 nan 0.000 0.447 595 T N 1.548 116.220 114.554 0.197 0.000 2.770 595 T HA 0.171 4.517 4.350 -0.008 0.000 0.283 595 T C -0.153 174.645 174.700 0.164 0.000 0.988 595 T CA -0.454 61.727 62.100 0.136 0.000 0.957 595 T CB 0.773 69.691 68.868 0.083 0.000 0.930 595 T HN 0.369 nan 8.240 nan 0.000 0.443 596 N N 2.792 121.560 118.700 0.112 0.000 2.439 596 N HA 0.141 4.876 4.740 -0.008 0.000 0.243 596 N C 0.763 176.208 175.510 -0.109 0.000 1.088 596 N CA -0.181 52.865 53.050 -0.007 0.000 0.940 596 N CB 0.024 38.535 38.487 0.039 0.000 1.180 596 N HN 0.524 nan 8.380 nan 0.000 0.505 597 N N 2.002 120.590 118.700 -0.186 0.000 2.550 597 N HA 0.073 4.809 4.740 -0.008 0.000 0.186 597 N C 0.502 175.916 175.510 -0.160 0.000 1.110 597 N CA 0.300 53.266 53.050 -0.140 0.000 0.912 597 N CB 0.072 38.485 38.487 -0.124 0.000 0.968 597 N HN 0.675 nan 8.380 nan 0.000 0.448 598 G N -0.556 108.104 108.800 -0.235 0.000 2.712 598 G HA2 0.078 4.034 3.960 -0.008 0.000 0.686 598 G HA3 0.078 4.034 3.960 -0.008 0.000 0.686 598 G C 0.469 175.256 174.900 -0.189 0.000 1.321 598 G CA -0.585 44.408 45.100 -0.179 0.000 0.813 598 G HN 0.497 nan 8.290 nan 0.000 0.599 599 G N -0.195 108.527 108.800 -0.131 0.000 2.225 599 G HA2 -0.124 3.832 3.960 -0.008 0.000 0.267 599 G HA3 -0.124 3.832 3.960 -0.008 0.000 0.267 599 G C 0.617 175.455 174.900 -0.105 0.000 1.024 599 G CA 1.214 46.258 45.100 -0.093 0.000 0.784 599 G HN 2.354 nan 8.290 nan 0.000 0.507 600 N N -1.867 116.732 118.700 -0.169 0.000 2.780 600 N HA -0.189 4.546 4.740 -0.008 0.000 0.248 600 N C 0.041 175.444 175.510 -0.177 0.000 1.102 600 N CA 0.774 53.764 53.050 -0.101 0.000 0.697 600 N CB -0.984 37.542 38.487 0.065 0.000 1.028 600 N HN 0.784 nan 8.380 nan 0.000 0.554 601 S N 0.203 115.621 115.700 -0.472 0.000 2.502 601 S HA 0.714 5.180 4.470 -0.008 0.000 0.304 601 S C -1.154 173.128 174.600 -0.530 0.000 1.097 601 S CA -0.464 57.565 58.200 -0.286 0.000 1.045 601 S CB 0.814 63.916 63.200 -0.163 0.000 1.019 601 S HN 0.269 nan 8.310 nan 0.000 0.481 602 Y N 1.173 121.498 120.300 0.042 0.000 2.581 602 Y HA 0.678 5.223 4.550 -0.008 0.000 0.345 602 Y C 0.325 176.266 175.900 0.068 0.000 1.036 602 Y CA -0.869 57.270 58.100 0.066 0.000 1.042 602 Y CB 2.176 40.696 38.460 0.099 0.000 1.289 602 Y HN 0.550 nan 8.280 nan 0.000 0.471 603 S N 1.456 117.302 115.700 0.243 0.000 2.595 603 S HA 0.852 5.317 4.470 -0.008 0.000 0.281 603 S C -1.598 173.120 174.600 0.196 0.000 1.117 603 S CA -0.825 57.425 58.200 0.083 0.000 0.873 603 S CB 1.830 65.025 63.200 -0.007 0.000 1.108 603 S HN 0.552 nan 8.310 nan 0.000 0.477 604 F N -0.573 119.392 119.950 0.025 0.000 2.713 604 F HA 0.668 5.189 4.527 -0.009 0.000 0.311 604 F C -1.184 174.605 175.800 -0.019 0.000 1.141 604 F CA -0.980 57.022 58.000 0.004 0.000 0.939 604 F CB 1.362 40.361 39.000 -0.003 0.000 1.325 604 F HN 0.502 nan 8.300 nan 0.000 0.453 605 Q N 1.860 121.770 119.800 0.183 0.000 2.337 605 Q HA 0.665 5.000 4.340 -0.008 0.000 0.266 605 Q C -1.632 174.448 176.000 0.133 0.000 1.023 605 Q CA -1.053 54.783 55.803 0.055 0.000 0.829 605 Q CB 2.607 31.354 28.738 0.015 0.000 1.306 605 Q HN 0.773 nan 8.270 nan 0.000 0.449 606 V N 5.426 125.369 119.914 0.049 0.000 2.530 606 V HA 0.214 4.329 4.120 -0.008 0.000 0.282 606 V C -2.136 173.929 176.094 -0.049 0.000 1.048 606 V CA -1.477 60.819 62.300 -0.006 0.000 0.997 606 V CB 0.818 32.594 31.823 -0.078 0.000 0.987 606 V HN 0.794 nan 8.190 nan 0.000 0.477 607 P HA -0.033 nan 4.420 nan 0.000 0.260 607 P C 0.910 178.167 177.300 -0.072 0.000 1.172 607 P CA 0.495 63.556 63.100 -0.065 0.000 0.760 607 P CB 0.439 32.094 31.700 -0.074 0.000 0.773 608 S N 1.344 117.008 115.700 -0.060 0.000 2.442 608 S HA -0.127 4.339 4.470 -0.008 0.000 0.236 608 S C 0.849 175.407 174.600 -0.071 0.000 1.007 608 S CA 0.694 58.858 58.200 -0.060 0.000 0.965 608 S CB -0.418 62.752 63.200 -0.050 0.000 0.773 608 S HN 0.422 nan 8.310 nan 0.000 0.504 609 D N 2.492 122.838 120.400 -0.091 0.000 2.365 609 D HA 0.226 4.861 4.640 -0.008 0.000 0.237 609 D C 1.079 177.311 176.300 -0.112 0.000 1.190 609 D CA 0.184 54.110 54.000 -0.122 0.000 0.867 609 D CB 1.293 41.982 40.800 -0.185 0.000 1.050 609 D HN 0.368 nan 8.370 nan 0.000 0.491 610 S N 1.773 117.429 115.700 -0.074 0.000 2.537 610 S HA -0.075 4.390 4.470 -0.008 0.000 0.240 610 S C 1.832 176.429 174.600 -0.006 0.000 0.981 610 S CA 0.614 58.801 58.200 -0.022 0.000 0.948 610 S CB 0.037 63.236 63.200 -0.001 0.000 0.759 610 S HN 0.455 nan 8.310 nan 0.000 0.531 611 G N 0.768 109.502 108.800 -0.110 0.000 2.511 611 G HA2 0.076 4.032 3.960 -0.008 0.000 0.217 611 G HA3 0.076 4.032 3.960 -0.008 0.000 0.217 611 G C 1.215 176.023 174.900 -0.153 0.000 1.133 611 G CA 0.725 45.736 45.100 -0.150 0.000 0.792 611 G HN 0.498 nan 8.290 nan 0.000 0.539 612 V N 0.687 120.485 119.914 -0.194 0.000 2.436 612 V HA 0.297 4.413 4.120 -0.008 0.000 0.240 612 V C 2.086 178.289 176.094 0.182 0.000 1.040 612 V CA 1.253 63.533 62.300 -0.033 0.000 1.052 612 V CB -0.184 31.575 31.823 -0.106 0.000 0.707 612 V HN 0.313 nan 8.190 nan 0.000 0.469 613 A N 1.058 123.926 122.820 0.079 0.000 3.126 613 A HA 0.451 4.767 4.320 -0.008 0.000 0.268 613 A C 0.245 178.007 177.584 0.297 0.000 1.605 613 A CA -0.243 51.841 52.037 0.079 0.000 1.305 613 A CB -1.024 17.865 19.000 -0.185 0.000 1.160 613 A HN 0.474 nan 8.150 nan 0.000 0.609 614 L N 2.398 123.929 121.223 0.513 0.000 2.593 614 L HA 0.034 4.370 4.340 -0.008 0.000 0.287 614 L C -1.570 175.590 176.870 0.484 0.000 1.243 614 L CA -0.763 54.324 54.840 0.413 0.000 0.890 614 L CB 0.289 42.559 42.059 0.351 0.000 1.134 614 L HN 0.408 nan 8.230 nan 0.000 0.502 615 P HA 0.228 nan 4.420 nan 0.000 0.269 615 P C 0.133 177.569 177.300 0.227 0.000 1.209 615 P CA 0.225 63.465 63.100 0.234 0.000 0.776 615 P CB 1.356 33.122 31.700 0.109 0.000 0.876 616 G N 1.084 109.993 108.800 0.182 0.000 2.302 616 G HA2 0.045 4.000 3.960 -0.008 0.000 0.276 616 G HA3 0.045 4.000 3.960 -0.008 0.000 0.276 616 G C -1.934 173.021 174.900 0.093 0.000 1.316 616 G CA -0.815 44.317 45.100 0.052 0.000 0.988 616 G HN 0.312 nan 8.290 nan 0.000 0.479 617 Y N -0.164 120.234 120.300 0.164 0.000 2.313 617 Y HA 0.672 5.218 4.550 -0.005 0.000 0.332 617 Y C 0.085 176.224 175.900 0.399 0.000 1.071 617 Y CA 0.020 58.268 58.100 0.246 0.000 1.169 617 Y CB 1.266 39.707 38.460 -0.033 0.000 1.192 617 Y HN 0.586 nan 8.280 nan 0.000 0.487 618 W N 2.710 124.302 121.300 0.488 0.000 2.902 618 W HA 0.707 5.360 4.660 -0.011 0.000 0.346 618 W C -0.976 175.670 176.519 0.212 0.000 1.139 618 W CA -1.064 56.471 57.345 0.316 0.000 1.139 618 W CB 1.235 30.800 29.460 0.175 0.000 1.439 618 W HN 0.197 nan 8.180 nan 0.000 0.558 619 M N 2.720 122.420 119.600 0.167 0.000 2.167 619 M HA 0.335 4.810 4.480 -0.008 0.000 0.333 619 M C -0.985 175.206 176.300 -0.182 0.000 1.030 619 M CA -1.076 54.118 55.300 -0.176 0.000 0.963 619 M CB 1.243 33.526 32.600 -0.527 0.000 1.589 619 M HN 0.179 nan 8.290 nan 0.000 0.431 620 L N 4.541 125.619 121.223 -0.241 0.000 2.276 620 L HA 0.625 4.961 4.340 -0.008 0.000 0.286 620 L C -1.786 174.868 176.870 -0.359 0.000 1.061 620 L CA 0.362 55.095 54.840 -0.179 0.000 0.807 620 L CB 0.357 42.389 42.059 -0.044 0.000 1.177 620 L HN 0.450 nan 8.230 nan 0.000 0.429 621 F N 4.677 124.577 119.950 -0.083 0.000 2.547 621 F HA 0.626 5.144 4.527 -0.015 0.000 0.316 621 F C -0.254 175.459 175.800 -0.146 0.000 1.121 621 F CA -0.776 57.159 58.000 -0.109 0.000 0.911 621 F CB 2.184 41.109 39.000 -0.125 0.000 1.179 621 F HN 0.387 nan 8.300 nan 0.000 0.443 622 V N 1.068 121.021 119.914 0.064 0.000 2.628 622 V HA 0.825 4.941 4.120 -0.008 0.000 0.306 622 V C -0.638 175.414 176.094 -0.071 0.000 1.045 622 V CA -0.860 61.407 62.300 -0.054 0.000 0.905 622 V CB 1.812 33.580 31.823 -0.092 0.000 0.997 622 V HN 0.701 nan 8.190 nan 0.000 0.436 623 M N 4.454 123.985 119.600 -0.116 0.000 2.465 623 M HA 0.547 5.023 4.480 -0.008 0.000 0.316 623 M C -0.177 176.059 176.300 -0.106 0.000 1.121 623 M CA -0.318 54.908 55.300 -0.123 0.000 0.934 623 M CB 1.889 34.401 32.600 -0.147 0.000 1.692 623 M HN 1.002 nan 8.290 nan 0.000 0.444 624 N N -0.101 118.550 118.700 -0.082 0.000 2.405 624 N HA 0.313 5.049 4.740 -0.008 0.000 0.269 624 N C 0.601 176.081 175.510 -0.049 0.000 1.249 624 N CA -0.250 52.766 53.050 -0.056 0.000 0.974 624 N CB -0.072 38.395 38.487 -0.034 0.000 1.204 624 N HN 0.661 nan 8.380 nan 0.000 0.565 625 S N -1.974 113.709 115.700 -0.029 0.000 2.419 625 S HA -0.156 4.309 4.470 -0.008 0.000 0.235 625 S C 1.710 176.296 174.600 -0.023 0.000 1.019 625 S CA 0.776 58.962 58.200 -0.022 0.000 0.982 625 S CB -1.008 62.187 63.200 -0.008 0.000 0.789 625 S HN 0.775 nan 8.310 nan 0.000 0.490 626 A N 1.020 123.828 122.820 -0.021 0.000 2.119 626 A HA 0.479 4.795 4.320 -0.008 0.000 0.217 626 A C 1.952 179.523 177.584 -0.022 0.000 1.153 626 A CA 0.941 52.968 52.037 -0.016 0.000 0.692 626 A CB -1.161 17.833 19.000 -0.009 0.000 0.799 626 A HN 1.569 nan 8.150 nan 0.000 0.458 627 G N -2.112 106.662 108.800 -0.043 0.000 2.176 627 G HA2 -0.188 3.767 3.960 -0.008 0.000 0.232 627 G HA3 -0.188 3.767 3.960 -0.008 0.000 0.232 627 G C 0.141 174.985 174.900 -0.092 0.000 0.986 627 G CA 0.038 45.102 45.100 -0.060 0.000 0.643 627 G HN 0.822 nan 8.290 nan 0.000 0.522 628 V N 3.340 123.208 119.914 -0.077 0.000 2.455 628 V HA 0.460 4.576 4.120 -0.008 0.000 0.273 628 V C -1.142 174.859 176.094 -0.156 0.000 1.045 628 V CA -0.977 61.265 62.300 -0.097 0.000 0.976 628 V CB 1.291 33.084 31.823 -0.050 0.000 0.993 628 V HN 0.297 nan 8.190 nan 0.000 0.475 629 P HA 0.291 nan 4.420 nan 0.000 0.286 629 P C -0.286 176.971 177.300 -0.072 0.000 1.261 629 P CA -0.341 62.624 63.100 -0.226 0.000 0.821 629 P CB 1.668 33.072 31.700 -0.493 0.000 1.013 630 S N 1.745 117.458 115.700 0.022 0.000 2.634 630 S HA 0.350 4.815 4.470 -0.008 0.000 0.261 630 S C 0.837 175.523 174.600 0.144 0.000 1.271 630 S CA -0.635 57.596 58.200 0.051 0.000 0.985 630 S CB -0.032 63.188 63.200 0.033 0.000 0.968 630 S HN 0.472 nan 8.310 nan 0.000 0.568 631 V N -1.477 118.484 119.914 0.079 0.000 3.264 631 V HA 0.766 4.881 4.120 -0.008 0.000 0.304 631 V C 0.514 176.573 176.094 -0.059 0.000 1.086 631 V CA -0.686 61.664 62.300 0.084 0.000 1.090 631 V CB -0.242 31.596 31.823 0.025 0.000 1.112 631 V HN 1.247 nan 8.190 nan 0.000 0.472 632 A N 2.304 124.971 122.820 -0.255 0.000 2.354 632 A HA 0.650 4.966 4.320 -0.008 0.000 0.269 632 A C 0.406 177.832 177.584 -0.264 0.000 1.109 632 A CA -0.277 51.401 52.037 -0.598 0.000 0.800 632 A CB 0.261 18.629 19.000 -1.053 0.000 1.045 632 A HN 1.030 nan 8.150 nan 0.000 0.489 633 S N 0.953 116.523 115.700 -0.217 0.000 2.442 633 S HA 0.427 4.893 4.470 -0.008 0.000 0.297 633 S C 0.064 174.661 174.600 -0.006 0.000 1.131 633 S CA -0.338 57.822 58.200 -0.066 0.000 1.092 633 S CB 1.064 64.251 63.200 -0.021 0.000 0.998 633 S HN 0.720 nan 8.310 nan 0.000 0.478 634 T N 4.831 119.428 114.554 0.071 0.000 2.737 634 T HA 0.319 4.664 4.350 -0.008 0.000 0.296 634 T C -0.092 174.738 174.700 0.217 0.000 0.922 634 T CA -0.182 62.035 62.100 0.194 0.000 1.079 634 T CB -0.153 68.810 68.868 0.159 0.000 0.892 634 T HN 0.323 nan 8.240 nan 0.000 0.514 635 I N 3.407 124.151 120.570 0.290 0.000 2.406 635 I HA 0.395 4.560 4.170 -0.008 0.000 0.290 635 I C 0.381 176.686 176.117 0.313 0.000 0.999 635 I CA -0.828 60.620 61.300 0.246 0.000 1.124 635 I CB 1.654 39.771 38.000 0.195 0.000 1.289 635 I HN 0.513 nan 8.210 nan 0.000 0.441 636 R N 5.377 125.998 120.500 0.203 0.000 2.221 636 R HA 0.582 4.917 4.340 -0.008 0.000 0.327 636 R C -1.308 175.021 176.300 0.049 0.000 1.033 636 R CA -0.362 55.782 56.100 0.074 0.000 0.887 636 R CB 1.096 31.332 30.300 -0.107 0.000 1.057 636 R HN 0.445 nan 8.270 nan 0.000 0.455 637 V N 4.391 124.368 119.914 0.104 0.000 2.427 637 V HA 0.368 4.484 4.120 -0.008 0.000 0.286 637 V C 0.233 176.346 176.094 0.031 0.000 1.034 637 V CA -0.507 61.816 62.300 0.037 0.000 0.893 637 V CB 1.605 33.402 31.823 -0.043 0.000 0.982 637 V HN 0.988 nan 8.190 nan 0.000 0.452 638 T N 1.915 116.464 114.554 -0.008 0.000 2.916 638 T HA 0.721 5.067 4.350 -0.008 0.000 0.292 638 T C -0.531 174.163 174.700 -0.010 0.000 1.055 638 T CA -0.916 61.177 62.100 -0.012 0.000 1.009 638 T CB 2.007 70.857 68.868 -0.031 0.000 1.118 638 T HN 0.674 nan 8.240 nan 0.000 0.497 639 Q N 0.000 119.797 119.800 -0.006 0.000 2.315 639 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 639 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 639 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481