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 1t2x_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 GRVFTIGGSW SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYR SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMSGNAVMYD 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 0.000 177.693 177.584 0.181 0.000 1.274 1 A CA 0.000 52.082 52.037 0.076 0.000 0.836 1 A CB 0.000 19.013 19.000 0.022 0.000 0.831 2 S N -2.435 113.362 115.700 0.162 0.000 2.757 2 S HA 0.752 5.220 4.470 -0.004 0.000 0.285 2 S C 0.879 175.319 174.600 -0.267 0.000 1.196 2 S CA 0.802 59.058 58.200 0.093 0.000 0.856 2 S CB 0.582 63.990 63.200 0.347 0.000 1.212 2 S HN 2.571 nan 8.310 nan 0.000 0.516 3 A N 2.103 124.645 122.820 -0.464 0.000 2.974 3 A HA 0.100 4.417 4.320 -0.004 0.000 0.966 3 A C -1.471 175.636 177.584 -0.796 0.000 0.631 3 A CA 2.334 53.990 52.037 -0.634 0.000 3.274 3 A CB -2.184 16.548 19.000 -0.448 0.000 1.632 3 A HN 1.290 nan 8.150 nan 0.000 0.994 4 P HA -0.185 nan 4.420 nan 0.000 0.014 4 P C 0.430 177.411 177.300 -0.532 0.000 0.569 4 P CA 1.293 63.942 63.100 -0.752 0.000 1.035 4 P CB -2.281 28.680 31.700 -1.231 0.000 1.909 5 I N -5.256 115.133 120.570 -0.302 0.000 3.102 5 I HA -0.336 3.831 4.170 -0.004 0.000 0.273 5 I C 0.499 176.528 176.117 -0.147 0.000 0.714 5 I CA 1.784 62.973 61.300 -0.186 0.000 1.525 5 I CB -1.924 35.980 38.000 -0.160 0.000 1.119 5 I HN 0.489 nan 8.210 nan 0.000 0.439 6 G N -0.008 108.704 108.800 -0.148 0.000 2.815 6 G HA2 0.683 4.641 3.960 -0.004 0.000 0.305 6 G HA3 0.683 4.641 3.960 -0.004 0.000 0.305 6 G C -1.413 173.595 174.900 0.180 0.000 1.277 6 G CA 0.101 45.210 45.100 0.016 0.000 0.795 6 G HN 0.223 nan 8.290 nan 0.000 0.528 7 S N -0.498 115.349 115.700 0.244 0.000 2.501 7 S HA 0.699 5.166 4.470 -0.004 0.000 0.301 7 S C 0.391 175.115 174.600 0.206 0.000 1.096 7 S CA -0.102 58.245 58.200 0.246 0.000 1.063 7 S CB 1.535 64.799 63.200 0.106 0.000 1.042 7 S HN 1.172 nan 8.310 nan 0.000 0.494 8 A N 2.910 125.752 122.820 0.036 0.000 2.477 8 A HA 0.439 4.757 4.320 -0.004 0.000 0.246 8 A C 0.084 177.565 177.584 -0.171 0.000 1.078 8 A CA -0.230 51.610 52.037 -0.328 0.000 0.770 8 A CB -0.369 18.415 19.000 -0.359 0.000 1.011 8 A HN 0.795 nan 8.150 nan 0.000 0.494 9 I N 1.609 122.084 120.570 -0.159 0.000 2.581 9 I HA 0.126 4.294 4.170 -0.004 0.000 0.288 9 I C 1.167 177.173 176.117 -0.185 0.000 1.047 9 I CA -0.099 61.180 61.300 -0.034 0.000 1.374 9 I CB 1.420 39.539 38.000 0.200 0.000 1.423 9 I HN 0.664 nan 8.210 nan 0.000 0.549 10 S N 4.632 120.240 115.700 -0.153 0.000 2.525 10 S HA 0.118 4.585 4.470 -0.004 0.000 0.285 10 S C 0.704 174.951 174.600 -0.590 0.000 1.283 10 S CA -0.269 57.771 58.200 -0.267 0.000 1.072 10 S CB 0.071 63.191 63.200 -0.133 0.000 0.867 10 S HN 0.526 nan 8.310 nan 0.000 0.492 11 R N 4.027 124.055 120.500 -0.785 0.000 2.893 11 R HA 0.199 4.536 4.340 -0.004 0.000 0.317 11 R C 0.485 176.448 176.300 -0.562 0.000 1.239 11 R CA -0.397 54.971 56.100 -1.219 0.000 1.128 11 R CB -0.088 29.551 30.300 -1.102 0.000 1.377 11 R HN 0.542 nan 8.270 nan 0.000 0.583 12 N N 1.225 119.727 118.700 -0.330 0.000 2.132 12 N HA -0.056 4.682 4.740 -0.004 0.000 0.187 12 N C 0.735 176.230 175.510 -0.026 0.000 1.038 12 N CA 1.056 54.027 53.050 -0.133 0.000 0.846 12 N CB 0.041 38.476 38.487 -0.086 0.000 1.012 12 N HN 0.196 nan 8.380 nan 0.000 0.429 13 N N 0.057 118.788 118.700 0.050 0.000 2.327 13 N HA 0.008 4.745 4.740 -0.004 0.000 0.231 13 N C -0.705 174.951 175.510 0.242 0.000 1.130 13 N CA -0.124 52.998 53.050 0.118 0.000 0.845 13 N CB 0.082 38.622 38.487 0.088 0.000 1.073 13 N HN 0.201 nan 8.380 nan 0.000 0.496 14 W N 1.570 122.852 121.300 -0.031 0.000 2.266 14 W HA 0.354 5.012 4.660 -0.003 0.000 0.317 14 W C 0.356 176.853 176.519 -0.036 0.000 1.310 14 W CA -1.301 56.023 57.345 -0.035 0.000 1.207 14 W CB 0.350 29.799 29.460 -0.018 0.000 1.199 14 W HN -0.048 nan 8.180 nan 0.000 0.544 15 A N 4.461 127.332 122.820 0.084 0.000 2.267 15 A HA 0.639 4.956 4.320 -0.004 0.000 0.315 15 A C -0.849 176.707 177.584 -0.047 0.000 1.297 15 A CA -0.676 51.370 52.037 0.015 0.000 0.865 15 A CB 0.220 19.212 19.000 -0.013 0.000 1.165 15 A HN 0.558 nan 8.150 nan 0.000 0.513 16 V N 1.286 121.164 119.914 -0.060 0.000 2.435 16 V HA 0.883 5.000 4.120 -0.004 0.000 0.290 16 V C -0.040 175.888 176.094 -0.277 0.000 1.030 16 V CA -0.219 61.954 62.300 -0.211 0.000 0.881 16 V CB 0.938 32.613 31.823 -0.246 0.000 0.983 16 V HN 0.906 nan 8.190 nan 0.000 0.445 17 T N 1.590 115.938 114.554 -0.343 0.000 2.812 17 T HA 0.678 5.025 4.350 -0.004 0.000 0.282 17 T C -0.344 174.112 174.700 -0.406 0.000 0.990 17 T CA -0.467 61.469 62.100 -0.274 0.000 0.960 17 T CB 0.885 69.680 68.868 -0.121 0.000 0.948 17 T HN 0.868 nan 8.240 nan 0.000 0.438 18 c N 2.871 121.268 118.600 -0.339 0.000 2.470 18 c HA 0.563 5.130 4.570 -0.004 0.000 0.341 18 c C 1.754 175.816 174.090 -0.046 0.000 1.190 18 c CA -0.545 55.615 56.329 -0.282 0.000 1.904 18 c CB 1.692 44.015 42.510 -0.311 0.000 2.354 18 c HN 1.084 nan 8.230 nan 0.000 0.509 19 D N 0.279 120.724 120.400 0.076 0.000 2.249 19 D HA -0.031 4.606 4.640 -0.004 0.000 0.205 19 D C 0.444 176.794 176.300 0.082 0.000 0.962 19 D CA 0.787 54.852 54.000 0.109 0.000 0.860 19 D CB 0.311 41.217 40.800 0.176 0.000 0.955 19 D HN 0.395 nan 8.370 nan 0.000 0.505 20 S N -0.853 114.876 115.700 0.049 0.000 2.562 20 S HA 0.585 5.052 4.470 -0.004 0.000 0.274 20 S C -1.937 172.542 174.600 -0.202 0.000 1.160 20 S CA -0.288 57.705 58.200 -0.345 0.000 0.933 20 S CB 1.515 64.468 63.200 -0.412 0.000 1.100 20 S HN 0.498 nan 8.310 nan 0.000 0.468 21 A N 4.294 126.840 122.820 -0.456 0.000 2.491 21 A HA 0.656 4.973 4.320 -0.004 0.000 0.293 21 A C -0.771 176.814 177.584 0.001 0.000 1.047 21 A CA -0.641 51.395 52.037 -0.002 0.000 0.735 21 A CB 1.518 20.691 19.000 0.288 0.000 1.281 21 A HN 0.695 nan 8.150 nan 0.000 0.398 22 Q N 0.368 120.252 119.800 0.141 0.000 2.318 22 Q HA 0.366 4.703 4.340 -0.004 0.000 0.222 22 Q C 0.358 176.462 176.000 0.175 0.000 1.003 22 Q CA -0.144 55.813 55.803 0.258 0.000 0.936 22 Q CB 1.419 30.307 28.738 0.250 0.000 1.204 22 Q HN 0.755 nan 8.270 nan 0.000 0.524 23 S N -1.065 114.709 115.700 0.124 0.000 2.505 23 S HA 0.397 4.864 4.470 -0.004 0.000 0.276 23 S C 0.807 175.423 174.600 0.027 0.000 1.274 23 S CA 0.809 59.050 58.200 0.068 0.000 1.053 23 S CB -0.045 63.178 63.200 0.038 0.000 0.919 23 S HN 0.795 nan 8.310 nan 0.000 0.490 24 G N 4.665 113.475 108.800 0.017 0.000 2.241 24 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.244 24 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.244 24 G C 0.173 175.037 174.900 -0.059 0.000 0.998 24 G CA 0.055 45.139 45.100 -0.028 0.000 0.621 24 G HN 0.666 nan 8.290 nan 0.000 0.519 25 N N 1.525 120.224 118.700 -0.002 0.000 2.644 25 N HA 0.352 5.089 4.740 -0.004 0.000 0.313 25 N C -0.003 175.629 175.510 0.204 0.000 1.863 25 N CA -0.066 52.995 53.050 0.018 0.000 0.918 25 N CB 0.908 39.401 38.487 0.010 0.000 1.320 25 N HN 0.529 nan 8.380 nan 0.000 0.490 26 E N -0.346 119.962 120.200 0.180 0.000 2.435 26 E HA 0.010 4.358 4.350 -0.004 0.000 0.256 26 E C 1.085 177.873 176.600 0.312 0.000 1.245 26 E CA -0.112 56.421 56.400 0.221 0.000 0.989 26 E CB 0.834 30.607 29.700 0.120 0.000 0.983 26 E HN 0.167 nan 8.360 nan 0.000 0.480 27 c N 1.288 119.980 118.600 0.153 0.000 2.435 27 c HA -0.086 4.481 4.570 -0.004 0.000 0.279 27 c C 1.727 175.821 174.090 0.007 0.000 1.321 27 c CA 1.063 57.332 56.329 -0.100 0.000 1.752 27 c CB -1.420 40.924 42.510 -0.277 0.000 1.959 27 c HN 0.809 nan 8.230 nan 0.000 0.500 28 N N 0.076 118.812 118.700 0.061 0.000 2.494 28 N HA -0.042 4.695 4.740 -0.004 0.000 0.182 28 N C 1.330 176.916 175.510 0.126 0.000 1.076 28 N CA 0.696 53.800 53.050 0.091 0.000 0.908 28 N CB -0.540 37.983 38.487 0.060 0.000 0.967 28 N HN 0.319 nan 8.380 nan 0.000 0.449 29 K N 0.191 120.684 120.400 0.155 0.000 2.439 29 K HA 0.154 4.472 4.320 -0.004 0.000 0.197 29 K C 1.154 177.862 176.600 0.180 0.000 1.041 29 K CA 0.706 57.082 56.287 0.149 0.000 0.970 29 K CB -0.077 32.510 32.500 0.145 0.000 0.773 29 K HN 0.425 nan 8.250 nan 0.000 0.479 30 A N 0.927 123.882 122.820 0.226 0.000 2.275 30 A HA 0.090 4.407 4.320 -0.004 0.000 0.212 30 A C 1.541 179.201 177.584 0.126 0.000 1.201 30 A CA 0.073 52.216 52.037 0.178 0.000 0.843 30 A CB -0.313 18.754 19.000 0.112 0.000 0.873 30 A HN 0.358 nan 8.150 nan 0.000 0.492 31 I N -3.864 116.787 120.570 0.135 0.000 4.102 31 I HA 0.257 4.425 4.170 -0.004 0.000 0.325 31 I C 0.645 176.763 176.117 0.002 0.000 1.471 31 I CA 0.214 61.558 61.300 0.074 0.000 1.133 31 I CB 0.449 38.544 38.000 0.159 0.000 1.184 31 I HN 0.032 nan 8.210 nan 0.000 0.451 32 D N 1.647 122.061 120.400 0.023 0.000 2.277 32 D HA 0.099 4.736 4.640 -0.004 0.000 0.208 32 D C 1.754 178.041 176.300 -0.022 0.000 0.962 32 D CA 1.292 55.292 54.000 0.001 0.000 0.865 32 D CB -0.078 40.734 40.800 0.020 0.000 0.939 32 D HN 0.466 nan 8.370 nan 0.000 0.510 33 G N -0.372 108.416 108.800 -0.020 0.000 2.163 33 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.213 33 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.213 33 G C -0.159 174.737 174.900 -0.007 0.000 0.991 33 G CA -0.067 45.016 45.100 -0.029 0.000 0.653 33 G HN 0.542 nan 8.290 nan 0.000 0.518 34 N N 0.623 119.331 118.700 0.012 0.000 2.399 34 N HA 0.470 5.207 4.740 -0.004 0.000 0.295 34 N C 1.323 176.860 175.510 0.044 0.000 1.048 34 N CA -0.341 52.724 53.050 0.024 0.000 0.886 34 N CB 1.202 39.705 38.487 0.026 0.000 1.185 34 N HN 0.404 nan 8.380 nan 0.000 0.487 35 K N 1.060 121.486 120.400 0.043 0.000 2.400 35 K HA 0.157 4.474 4.320 -0.004 0.000 0.194 35 K C -0.210 176.446 176.600 0.093 0.000 1.033 35 K CA 0.517 56.837 56.287 0.055 0.000 1.021 35 K CB 0.547 33.066 32.500 0.031 0.000 0.808 35 K HN 0.325 nan 8.250 nan 0.000 0.505 36 D N 1.985 122.443 120.400 0.097 0.000 2.327 36 D HA -0.039 4.598 4.640 -0.004 0.000 0.205 36 D C 0.481 176.901 176.300 0.200 0.000 0.989 36 D CA 0.879 54.959 54.000 0.133 0.000 0.873 36 D CB 0.370 41.220 40.800 0.083 0.000 0.955 36 D HN 0.378 nan 8.370 nan 0.000 0.515 37 T N -0.470 114.167 114.554 0.138 0.000 2.922 37 T HA 0.542 4.890 4.350 -0.004 0.000 0.285 37 T C -0.096 174.729 174.700 0.208 0.000 1.005 37 T CA -0.811 61.325 62.100 0.061 0.000 1.061 37 T CB 1.205 70.074 68.868 0.002 0.000 1.007 37 T HN 0.034 nan 8.240 nan 0.000 0.502 38 F N -1.591 118.418 119.950 0.097 0.000 2.668 38 F HA 0.714 5.238 4.527 -0.004 0.000 0.309 38 F C -1.296 174.637 175.800 0.222 0.000 1.117 38 F CA -2.197 55.887 58.000 0.139 0.000 0.951 38 F CB 0.769 39.827 39.000 0.096 0.000 1.323 38 F HN 0.820 nan 8.300 nan 0.000 0.451 39 W N 3.555 125.036 121.300 0.301 0.000 2.313 39 W HA 0.625 5.282 4.660 -0.006 0.000 0.328 39 W C -1.420 175.316 176.519 0.360 0.000 1.197 39 W CA -0.269 57.224 57.345 0.246 0.000 1.235 39 W CB 0.556 30.165 29.460 0.248 0.000 1.158 39 W HN 0.802 nan 8.180 nan 0.000 0.578 40 H N 3.008 121.836 119.070 -0.403 0.000 3.029 40 H HA 0.217 4.770 4.556 -0.004 0.000 0.358 40 H C -0.276 174.711 175.328 -0.569 0.000 1.129 40 H CA -0.024 55.741 56.048 -0.472 0.000 1.230 40 H CB 1.758 31.498 29.762 -0.037 0.000 1.827 40 H HN 0.527 nan 8.280 nan 0.000 0.530 41 T N 0.825 115.064 114.554 -0.524 0.000 2.732 41 T HA 0.316 4.663 4.350 -0.004 0.000 0.287 41 T C 0.828 175.664 174.700 0.227 0.000 0.993 41 T CA -0.630 61.269 62.100 -0.334 0.000 0.966 41 T CB 0.368 68.843 68.868 -0.655 0.000 1.047 41 T HN 0.326 nan 8.240 nan 0.000 0.527 42 F N 2.288 122.379 119.950 0.234 0.000 2.590 42 F HA 0.281 4.806 4.527 -0.004 0.000 0.389 42 F C 0.194 176.282 175.800 0.479 0.000 1.049 42 F CA -0.497 57.676 58.000 0.289 0.000 1.199 42 F CB -0.110 39.007 39.000 0.195 0.000 1.058 42 F HN 0.625 nan 8.300 nan 0.000 0.556 43 Y N 0.984 121.509 120.300 0.375 0.000 2.433 43 Y HA 0.658 5.205 4.550 -0.004 0.000 0.337 43 Y C 0.231 176.202 175.900 0.119 0.000 1.026 43 Y CA -0.630 57.631 58.100 0.267 0.000 1.037 43 Y CB 1.622 40.014 38.460 -0.113 0.000 1.245 43 Y HN 0.751 nan 8.280 nan 0.000 0.443 44 G N 1.995 110.868 108.800 0.120 0.000 5.045 44 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.229 44 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.229 44 G C 0.306 175.175 174.900 -0.052 0.000 1.440 44 G CA 0.158 45.240 45.100 -0.029 0.000 0.936 44 G HN 1.655 nan 8.290 nan 0.000 0.690 45 A N 0.243 122.984 122.820 -0.132 0.000 2.366 45 A HA 0.656 4.974 4.320 -0.004 0.000 0.272 45 A C 0.919 178.376 177.584 -0.212 0.000 1.135 45 A CA 1.364 53.304 52.037 -0.161 0.000 0.804 45 A CB 0.063 18.945 19.000 -0.197 0.000 1.064 45 A HN 1.985 nan 8.150 nan 0.000 0.499 46 N N 0.237 118.802 118.700 -0.226 0.000 2.850 46 N HA -0.142 4.596 4.740 -0.004 0.000 0.249 46 N C 0.758 176.238 175.510 -0.049 0.000 1.060 46 N CA 2.038 54.935 53.050 -0.255 0.000 0.825 46 N CB -1.150 36.910 38.487 -0.712 0.000 1.132 46 N HN 2.443 nan 8.380 nan 0.000 0.564 47 G N -0.348 108.462 108.800 0.017 0.000 2.539 47 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.256 47 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.256 47 G C -0.976 174.058 174.900 0.223 0.000 1.233 47 G CA 0.286 45.447 45.100 0.101 0.000 0.936 47 G HN 0.373 nan 8.290 nan 0.000 0.571 48 D N 1.839 122.368 120.400 0.215 0.000 2.412 48 D HA 0.463 5.101 4.640 -0.004 0.000 0.276 48 D C -2.589 173.800 176.300 0.149 0.000 1.196 48 D CA -0.822 53.333 54.000 0.259 0.000 0.905 48 D CB 1.348 42.250 40.800 0.169 0.000 1.081 48 D HN 0.126 nan 8.370 nan 0.000 0.502 49 P HA 0.050 nan 4.420 nan 0.000 0.265 49 P C 0.063 177.469 177.300 0.176 0.000 1.222 49 P CA 0.075 63.315 63.100 0.234 0.000 0.767 49 P CB 0.847 32.781 31.700 0.390 0.000 0.801 50 K N 5.123 125.528 120.400 0.009 0.000 2.258 50 K HA 0.242 4.560 4.320 -0.004 0.000 0.264 50 K C -2.085 174.342 176.600 -0.289 0.000 1.007 50 K CA -1.445 54.776 56.287 -0.110 0.000 0.941 50 K CB -0.322 32.116 32.500 -0.103 0.000 0.966 50 K HN 0.321 nan 8.250 nan 0.000 0.480 51 P HA 0.083 nan 4.420 nan 0.000 0.271 51 P C -2.471 174.670 177.300 -0.266 0.000 1.233 51 P CA -1.006 61.808 63.100 -0.478 0.000 0.789 51 P CB -0.153 31.429 31.700 -0.197 0.000 0.951 52 P HA 0.067 nan 4.420 nan 0.000 0.264 52 P C -0.768 176.408 177.300 -0.207 0.000 1.193 52 P CA 0.787 63.795 63.100 -0.152 0.000 0.763 52 P CB 0.185 31.853 31.700 -0.054 0.000 0.810 53 H N 1.039 120.178 119.070 0.115 0.000 2.505 53 H HA 0.367 4.921 4.556 -0.003 0.000 0.338 53 H C -0.074 175.404 175.328 0.249 0.000 1.057 53 H CA -0.217 55.946 56.048 0.191 0.000 1.202 53 H CB 1.383 31.268 29.762 0.205 0.000 1.466 53 H HN 0.235 nan 8.280 nan 0.000 0.499 54 T N 2.976 117.739 114.554 0.348 0.000 2.859 54 T HA 0.255 4.602 4.350 -0.004 0.000 0.281 54 T C -0.781 174.005 174.700 0.145 0.000 1.005 54 T CA -0.507 61.708 62.100 0.192 0.000 1.025 54 T CB 1.124 70.010 68.868 0.029 0.000 0.977 54 T HN 0.437 nan 8.240 nan 0.000 0.458 55 Y N 1.920 122.181 120.300 -0.064 0.000 2.402 55 Y HA 0.379 4.926 4.550 -0.005 0.000 0.325 55 Y C -0.367 175.447 175.900 -0.143 0.000 1.009 55 Y CA -0.569 57.392 58.100 -0.232 0.000 1.278 55 Y CB 0.966 39.254 38.460 -0.286 0.000 1.105 55 Y HN 0.599 nan 8.280 nan 0.000 0.476 56 T N 6.840 121.233 114.554 -0.268 0.000 2.829 56 T HA 0.601 4.948 4.350 -0.004 0.000 0.282 56 T C -0.328 174.286 174.700 -0.143 0.000 0.990 56 T CA -0.358 61.675 62.100 -0.111 0.000 1.028 56 T CB 0.779 69.624 68.868 -0.038 0.000 0.951 56 T HN 0.444 nan 8.240 nan 0.000 0.460 57 I N 2.409 122.964 120.570 -0.025 0.000 2.474 57 I HA 0.396 4.563 4.170 -0.004 0.000 0.294 57 I C -0.548 175.441 176.117 -0.213 0.000 1.005 57 I CA -0.832 60.363 61.300 -0.175 0.000 1.113 57 I CB 1.971 39.780 38.000 -0.317 0.000 1.289 57 I HN 0.467 nan 8.210 nan 0.000 0.436 58 D N 6.372 126.560 120.400 -0.353 0.000 2.462 58 D HA 0.369 5.006 4.640 -0.004 0.000 0.245 58 D C 0.152 176.105 176.300 -0.578 0.000 1.122 58 D CA -0.407 53.279 54.000 -0.524 0.000 0.864 58 D CB 1.425 42.018 40.800 -0.345 0.000 1.098 58 D HN 0.438 nan 8.370 nan 0.000 0.541 59 M N 2.678 121.889 119.600 -0.649 0.000 2.563 59 M HA 0.023 4.500 4.480 -0.004 0.000 0.231 59 M C 0.958 177.139 176.300 -0.198 0.000 1.136 59 M CA -0.124 54.861 55.300 -0.525 0.000 1.026 59 M CB 0.137 32.488 32.600 -0.415 0.000 1.597 59 M HN 0.267 nan 8.290 nan 0.000 0.495 60 K N -1.251 118.995 120.400 -0.257 0.000 3.517 60 K HA -0.198 4.120 4.320 -0.004 0.000 0.320 60 K C 0.642 177.175 176.600 -0.112 0.000 0.769 60 K CA 2.065 58.261 56.287 -0.152 0.000 1.397 60 K CB -1.653 30.820 32.500 -0.045 0.000 1.376 60 K HN 0.487 nan 8.250 nan 0.000 0.456 61 T N 0.182 114.685 114.554 -0.085 0.000 2.901 61 T HA 0.419 4.766 4.350 -0.004 0.000 0.293 61 T C -0.938 173.732 174.700 -0.051 0.000 1.084 61 T CA -0.149 61.923 62.100 -0.047 0.000 1.008 61 T CB 1.715 70.579 68.868 -0.006 0.000 1.170 61 T HN 0.083 nan 8.240 nan 0.000 0.509 62 T N 4.578 119.114 114.554 -0.029 0.000 2.769 62 T HA 0.325 4.673 4.350 -0.004 0.000 0.293 62 T C -0.324 174.374 174.700 -0.004 0.000 0.931 62 T CA -0.369 61.717 62.100 -0.022 0.000 1.139 62 T CB 0.317 69.175 68.868 -0.017 0.000 0.881 62 T HN 0.397 nan 8.240 nan 0.000 0.532 63 Q N 2.471 122.272 119.800 0.000 0.000 2.345 63 Q HA 0.324 4.661 4.340 -0.004 0.000 0.268 63 Q C -0.334 175.678 176.000 0.019 0.000 1.054 63 Q CA -0.885 54.935 55.803 0.027 0.000 0.835 63 Q CB 1.475 30.247 28.738 0.056 0.000 1.339 63 Q HN 0.468 nan 8.270 nan 0.000 0.447 64 N N 1.348 120.067 118.700 0.032 0.000 2.968 64 N HA 0.099 4.836 4.740 -0.004 0.000 0.271 64 N C -0.480 175.068 175.510 0.063 0.000 1.174 64 N CA 0.034 53.098 53.050 0.024 0.000 1.096 64 N CB 0.254 38.782 38.487 0.068 0.000 1.403 64 N HN 0.234 nan 8.380 nan 0.000 0.522 65 V N 2.566 122.533 119.914 0.089 0.000 2.529 65 V HA -0.006 4.112 4.120 -0.004 0.000 0.292 65 V C 1.273 177.447 176.094 0.133 0.000 1.028 65 V CA -0.086 62.307 62.300 0.155 0.000 1.074 65 V CB 0.394 32.376 31.823 0.264 0.000 0.958 65 V HN 0.611 nan 8.190 nan 0.000 0.481 66 N N 2.686 121.353 118.700 -0.056 0.000 2.143 66 N HA 0.362 5.099 4.740 -0.004 0.000 0.229 66 N C -0.031 174.980 175.510 -0.831 0.000 1.294 66 N CA 0.484 53.341 53.050 -0.321 0.000 0.883 66 N CB 1.529 39.933 38.487 -0.139 0.000 1.148 66 N HN 0.805 nan 8.380 nan 0.000 0.511 67 G N 0.092 108.411 108.800 -0.802 0.000 2.328 67 G HA2 0.482 4.439 3.960 -0.004 0.000 0.295 67 G HA3 0.482 4.439 3.960 -0.004 0.000 0.295 67 G C -2.431 172.558 174.900 0.147 0.000 1.413 67 G CA -0.513 44.225 45.100 -0.603 0.000 0.817 67 G HN 0.499 nan 8.290 nan 0.000 0.546 68 L N -1.482 119.961 121.223 0.368 0.000 2.518 68 L HA 0.977 5.315 4.340 -0.004 0.000 0.257 68 L C -0.231 176.955 176.870 0.527 0.000 0.980 68 L CA -0.867 54.294 54.840 0.535 0.000 0.837 68 L CB 1.752 44.086 42.059 0.458 0.000 1.410 68 L HN 1.310 nan 8.230 nan 0.000 0.410 69 S N 2.330 118.317 115.700 0.479 0.000 2.536 69 S HA 0.898 5.365 4.470 -0.004 0.000 0.298 69 S C -0.548 174.022 174.600 -0.050 0.000 1.083 69 S CA -0.653 57.657 58.200 0.185 0.000 0.995 69 S CB 1.851 65.277 63.200 0.376 0.000 1.058 69 S HN 1.020 nan 8.310 nan 0.000 0.488 70 M N 3.413 122.794 119.600 -0.365 0.000 2.090 70 M HA 0.439 4.916 4.480 -0.004 0.000 0.277 70 M C -2.217 173.821 176.300 -0.437 0.000 0.935 70 M CA -0.955 54.131 55.300 -0.356 0.000 0.966 70 M CB 1.244 33.569 32.600 -0.458 0.000 1.635 70 M HN 0.886 nan 8.290 nan 0.000 0.446 71 L N 8.861 129.931 121.223 -0.255 0.000 2.264 71 L HA 0.664 5.002 4.340 -0.004 0.000 0.289 71 L C -2.531 174.253 176.870 -0.143 0.000 1.044 71 L CA -1.080 53.628 54.840 -0.220 0.000 0.807 71 L CB 1.187 43.172 42.059 -0.125 0.000 1.192 71 L HN 0.427 nan 8.230 nan 0.000 0.425 72 P HA 0.227 nan 4.420 nan 0.000 0.275 72 P C -1.301 175.993 177.300 -0.010 0.000 1.266 72 P CA -0.603 62.469 63.100 -0.047 0.000 0.793 72 P CB 0.334 31.983 31.700 -0.086 0.000 1.074 73 R N 1.070 121.557 120.500 -0.022 0.000 2.522 73 R HA 0.066 4.403 4.340 -0.004 0.000 0.284 73 R C 0.129 176.400 176.300 -0.048 0.000 1.032 73 R CA 0.042 56.035 56.100 -0.179 0.000 1.049 73 R CB -0.228 29.691 30.300 -0.636 0.000 0.956 73 R HN 0.368 nan 8.270 nan 0.000 0.422 74 Q N 1.994 121.781 119.800 -0.021 0.000 2.246 74 Q HA -0.031 4.307 4.340 -0.004 0.000 0.202 74 Q C 0.084 176.095 176.000 0.018 0.000 0.883 74 Q CA 0.311 56.123 55.803 0.016 0.000 0.952 74 Q CB 0.568 29.321 28.738 0.025 0.000 1.078 74 Q HN 0.791 nan 8.270 nan 0.000 0.493 75 D N -0.732 119.659 120.400 -0.015 0.000 2.349 75 D HA 0.024 4.662 4.640 -0.004 0.000 0.224 75 D C 1.164 177.454 176.300 -0.017 0.000 1.029 75 D CA 0.733 54.734 54.000 0.001 0.000 0.879 75 D CB 0.087 40.905 40.800 0.030 0.000 0.906 75 D HN 0.252 nan 8.370 nan 0.000 0.528 76 G N 0.363 109.156 108.800 -0.012 0.000 2.175 76 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.244 76 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.244 76 G C -0.046 174.820 174.900 -0.057 0.000 0.982 76 G CA 0.055 45.155 45.100 0.001 0.000 0.641 76 G HN 0.600 nan 8.290 nan 0.000 0.527 77 N N 0.273 118.887 118.700 -0.145 0.000 2.456 77 N HA 0.380 5.118 4.740 -0.004 0.000 0.296 77 N C 1.550 176.760 175.510 -0.500 0.000 1.102 77 N CA 0.147 53.034 53.050 -0.272 0.000 0.924 77 N CB 0.687 39.006 38.487 -0.280 0.000 1.186 77 N HN 0.444 nan 8.380 nan 0.000 0.492 78 Q N 1.275 120.642 119.800 -0.722 0.000 2.402 78 Q HA 0.110 4.448 4.340 -0.004 0.000 0.206 78 Q C -0.485 174.861 176.000 -1.091 0.000 0.919 78 Q CA 0.208 55.127 55.803 -1.473 0.000 0.923 78 Q CB -0.057 27.879 28.738 -1.337 0.000 1.048 78 Q HN 0.395 nan 8.270 nan 0.000 0.515 79 N N 1.759 120.121 118.700 -0.562 0.000 2.396 79 N HA 0.160 4.897 4.740 -0.004 0.000 0.287 79 N C 0.369 175.721 175.510 -0.263 0.000 1.316 79 N CA 1.280 54.176 53.050 -0.258 0.000 0.972 79 N CB 0.608 38.942 38.487 -0.255 0.000 1.341 79 N HN 0.596 nan 8.380 nan 0.000 0.487 80 G N 0.591 109.289 108.800 -0.171 0.000 2.273 80 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.162 80 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.162 80 G C -0.609 174.310 174.900 0.031 0.000 1.006 80 G CA -0.819 44.195 45.100 -0.144 0.000 0.704 80 G HN 0.325 nan 8.290 nan 0.000 0.487 81 W N 1.782 123.045 121.300 -0.061 0.000 2.322 81 W HA 0.525 5.182 4.660 -0.005 0.000 0.328 81 W C 0.906 177.444 176.519 0.033 0.000 1.395 81 W CA -1.050 56.273 57.345 -0.037 0.000 1.267 81 W CB -0.235 29.194 29.460 -0.052 0.000 1.259 81 W HN 0.073 nan 8.180 nan 0.000 0.560 82 I N 4.253 125.008 120.570 0.308 0.000 2.471 82 I HA 0.128 4.295 4.170 -0.004 0.000 0.286 82 I C 1.292 177.607 176.117 0.330 0.000 1.079 82 I CA 0.364 61.852 61.300 0.313 0.000 1.398 82 I CB 0.407 38.649 38.000 0.402 0.000 1.403 82 I HN 0.555 nan 8.210 nan 0.000 0.530 83 G N 6.555 115.498 108.800 0.239 0.000 2.593 83 G HA2 0.189 4.147 3.960 -0.004 0.000 0.212 83 G HA3 0.189 4.147 3.960 -0.004 0.000 0.212 83 G C 0.392 175.414 174.900 0.202 0.000 1.934 83 G CA -0.432 44.791 45.100 0.205 0.000 0.861 83 G HN 0.477 nan 8.290 nan 0.000 0.629 84 R N 1.375 121.946 120.500 0.119 0.000 2.491 84 R HA 0.384 4.722 4.340 -0.004 0.000 0.283 84 R C -0.142 176.180 176.300 0.037 0.000 1.072 84 R CA 0.072 56.193 56.100 0.036 0.000 1.048 84 R CB 0.472 30.775 30.300 0.005 0.000 0.983 84 R HN 0.775 nan 8.270 nan 0.000 0.450 85 H N -0.147 118.801 119.070 -0.203 0.000 2.960 85 H HA 0.482 5.037 4.556 -0.001 0.000 0.323 85 H C -1.233 173.967 175.328 -0.213 0.000 1.326 85 H CA -1.136 54.777 56.048 -0.226 0.000 1.124 85 H CB 1.708 31.202 29.762 -0.447 0.000 1.853 85 H HN 0.542 nan 8.280 nan 0.000 0.536 86 E N 0.734 120.850 120.200 -0.140 0.000 2.321 86 E HA 0.435 4.783 4.350 -0.004 0.000 0.278 86 E C -1.416 175.115 176.600 -0.115 0.000 0.902 86 E CA -0.906 55.360 56.400 -0.223 0.000 0.758 86 E CB 3.516 33.099 29.700 -0.194 0.000 1.213 86 E HN 0.332 nan 8.360 nan 0.000 0.426 87 V N 3.450 123.233 119.914 -0.218 0.000 2.417 87 V HA 0.424 4.541 4.120 -0.004 0.000 0.291 87 V C -1.088 174.833 176.094 -0.289 0.000 1.024 87 V CA -0.613 61.628 62.300 -0.099 0.000 0.861 87 V CB 0.469 32.301 31.823 0.016 0.000 0.985 87 V HN 0.573 nan 8.190 nan 0.000 0.436 88 Y N 4.321 124.589 120.300 -0.053 0.000 2.549 88 Y HA 0.765 5.310 4.550 -0.008 0.000 0.339 88 Y C -0.057 175.952 175.900 0.182 0.000 1.053 88 Y CA -0.896 57.222 58.100 0.030 0.000 1.105 88 Y CB 1.952 40.416 38.460 0.007 0.000 1.258 88 Y HN 0.379 nan 8.280 nan 0.000 0.478 89 L N 1.453 122.932 121.223 0.426 0.000 2.401 89 L HA 0.728 5.066 4.340 -0.004 0.000 0.266 89 L C -0.583 176.454 176.870 0.278 0.000 0.991 89 L CA -0.636 54.407 54.840 0.337 0.000 0.818 89 L CB 2.319 44.464 42.059 0.144 0.000 1.321 89 L HN 0.637 nan 8.230 nan 0.000 0.413 90 S N -0.657 115.120 115.700 0.128 0.000 2.596 90 S HA 0.508 4.976 4.470 -0.004 0.000 0.270 90 S C 0.099 174.678 174.600 -0.034 0.000 1.155 90 S CA 0.138 58.241 58.200 -0.162 0.000 0.827 90 S CB 1.948 64.648 63.200 -0.834 0.000 1.130 90 S HN 0.705 nan 8.310 nan 0.000 0.467 91 S N 0.700 116.343 115.700 -0.094 0.000 2.549 91 S HA 0.183 4.651 4.470 -0.004 0.000 0.225 91 S C 0.573 175.181 174.600 0.013 0.000 1.039 91 S CA 0.685 58.893 58.200 0.013 0.000 0.942 91 S CB -0.206 62.978 63.200 -0.026 0.000 0.881 91 S HN 0.759 nan 8.310 nan 0.000 0.503 92 D N 0.177 120.444 120.400 -0.221 0.000 2.597 92 D HA 0.487 5.125 4.640 -0.004 0.000 0.261 92 D C 1.540 177.429 176.300 -0.684 0.000 1.023 92 D CA 0.874 54.703 54.000 -0.286 0.000 0.927 92 D CB -0.404 40.249 40.800 -0.245 0.000 1.168 92 D HN 0.509 nan 8.370 nan 0.000 0.491 93 G N -0.971 107.168 108.800 -1.102 0.000 3.345 93 G HA2 -0.088 3.869 3.960 -0.004 0.000 0.199 93 G HA3 -0.088 3.869 3.960 -0.004 0.000 0.199 93 G C 0.293 174.602 174.900 -0.984 0.000 1.057 93 G CA 0.171 44.466 45.100 -1.341 0.000 0.865 93 G HN 0.287 nan 8.290 nan 0.000 0.449 94 T N 1.348 115.462 114.554 -0.733 0.000 3.734 94 T HA 0.524 4.872 4.350 -0.004 0.000 0.238 94 T C -0.605 173.833 174.700 -0.438 0.000 1.205 94 T CA -0.311 61.492 62.100 -0.495 0.000 1.606 94 T CB 0.350 69.109 68.868 -0.182 0.000 0.832 94 T HN 0.180 nan 8.240 nan 0.000 0.655 95 N N 0.241 118.541 118.700 -0.666 0.000 2.725 95 N HA 0.207 4.944 4.740 -0.004 0.000 0.225 95 N C -0.062 175.235 175.510 -0.356 0.000 1.465 95 N CA -0.437 52.401 53.050 -0.352 0.000 0.830 95 N CB 0.235 38.565 38.487 -0.260 0.000 1.460 95 N HN 0.434 nan 8.380 nan 0.000 0.538 96 W N 0.999 122.250 121.300 -0.082 0.000 2.409 96 W HA 0.215 4.870 4.660 -0.008 0.000 0.299 96 W C 1.835 178.408 176.519 0.089 0.000 1.203 96 W CA 1.256 58.585 57.345 -0.027 0.000 1.298 96 W CB -0.183 29.160 29.460 -0.195 0.000 1.127 96 W HN 0.432 nan 8.180 nan 0.000 0.528 97 G N 0.323 109.289 108.800 0.277 0.000 2.509 97 G HA2 -0.303 3.654 3.960 -0.004 0.000 0.259 97 G HA3 -0.303 3.654 3.960 -0.004 0.000 0.259 97 G C 0.099 175.192 174.900 0.322 0.000 1.169 97 G CA 0.181 45.414 45.100 0.222 0.000 0.953 97 G HN 0.541 nan 8.290 nan 0.000 0.563 98 S N 1.427 117.258 115.700 0.218 0.000 2.616 98 S HA 0.704 5.172 4.470 -0.004 0.000 0.277 98 S C -2.484 172.117 174.600 0.001 0.000 1.234 98 S CA -0.664 57.624 58.200 0.145 0.000 1.028 98 S CB 1.857 65.103 63.200 0.076 0.000 0.988 98 S HN 0.654 nan 8.310 nan 0.000 0.522 99 P HA 0.149 nan 4.420 nan 0.000 0.271 99 P C 1.026 178.134 177.300 -0.321 0.000 1.216 99 P CA -0.655 62.084 63.100 -0.601 0.000 0.776 99 P CB 0.596 31.904 31.700 -0.655 0.000 0.881 100 V N -0.192 119.488 119.914 -0.390 0.000 3.052 100 V HA 0.415 4.532 4.120 -0.004 0.000 0.254 100 V C 0.640 176.541 176.094 -0.322 0.000 1.100 100 V CA 0.979 63.041 62.300 -0.397 0.000 1.112 100 V CB -1.063 30.297 31.823 -0.772 0.000 0.738 100 V HN 0.560 nan 8.190 nan 0.000 0.469 101 A N 0.305 122.941 122.820 -0.307 0.000 2.517 101 A HA 0.826 5.143 4.320 -0.004 0.000 0.297 101 A C -0.413 177.045 177.584 -0.212 0.000 1.050 101 A CA 0.259 52.221 52.037 -0.126 0.000 0.694 101 A CB 1.667 20.721 19.000 0.090 0.000 1.277 101 A HN 1.090 nan 8.150 nan 0.000 0.400 102 S N 0.599 116.169 115.700 -0.217 0.000 2.537 102 S HA 0.970 5.437 4.470 -0.004 0.000 0.270 102 S C -0.096 174.289 174.600 -0.359 0.000 1.142 102 S CA 0.131 58.126 58.200 -0.342 0.000 0.870 102 S CB 1.317 64.396 63.200 -0.202 0.000 1.112 102 S HN 2.728 nan 8.310 nan 0.000 0.466 103 G N 0.939 109.395 108.800 -0.575 0.000 2.441 103 G HA2 0.472 4.430 3.960 -0.004 0.000 0.222 103 G HA3 0.472 4.430 3.960 -0.004 0.000 0.222 103 G C -1.472 173.190 174.900 -0.398 0.000 1.254 103 G CA -0.232 44.665 45.100 -0.339 0.000 0.959 103 G HN 1.359 nan 8.290 nan 0.000 0.474 104 S N -0.409 115.243 115.700 -0.081 0.000 2.547 104 S HA 0.667 5.135 4.470 -0.004 0.000 0.281 104 S C -1.411 173.339 174.600 0.250 0.000 1.118 104 S CA -0.533 57.722 58.200 0.092 0.000 0.947 104 S CB 1.514 64.790 63.200 0.127 0.000 1.053 104 S HN 0.514 nan 8.310 nan 0.000 0.482 105 W N 1.991 123.440 121.300 0.248 0.000 2.448 105 W HA 0.508 5.169 4.660 0.001 0.000 0.339 105 W C 0.057 176.621 176.519 0.074 0.000 1.124 105 W CA -1.829 55.571 57.345 0.091 0.000 1.262 105 W CB 0.437 29.846 29.460 -0.084 0.000 1.251 105 W HN 0.602 nan 8.180 nan 0.000 0.597 106 F N 1.655 121.670 119.950 0.109 0.000 2.496 106 F HA 0.313 4.837 4.527 -0.005 0.000 0.344 106 F C 0.835 176.580 175.800 -0.092 0.000 1.155 106 F CA -0.139 57.855 58.000 -0.010 0.000 1.302 106 F CB 0.736 39.670 39.000 -0.109 0.000 1.159 106 F HN 0.338 nan 8.300 nan 0.000 0.595 107 A N 4.455 126.786 122.820 -0.815 0.000 2.990 107 A HA 0.387 4.705 4.320 -0.004 0.000 0.282 107 A C -1.028 176.121 177.584 -0.724 0.000 1.688 107 A CA 0.003 51.719 52.037 -0.536 0.000 1.391 107 A CB -1.377 17.434 19.000 -0.314 0.000 1.112 107 A HN 0.704 nan 8.150 nan 0.000 0.588 108 D N -1.470 118.339 120.400 -0.986 0.000 2.677 108 D HA 0.265 4.902 4.640 -0.004 0.000 0.298 108 D C 0.403 175.790 176.300 -1.522 0.000 1.250 108 D CA 0.152 53.456 54.000 -1.161 0.000 0.888 108 D CB 0.145 40.772 40.800 -0.289 0.000 1.397 108 D HN 0.100 nan 8.370 nan 0.000 0.461 109 S N -1.725 113.450 115.700 -0.876 0.000 2.605 109 S HA 0.171 4.638 4.470 -0.004 0.000 0.217 109 S C 0.770 175.153 174.600 -0.362 0.000 0.958 109 S CA 0.190 58.086 58.200 -0.507 0.000 0.919 109 S CB -1.210 61.941 63.200 -0.081 0.000 0.780 109 S HN 0.775 nan 8.310 nan 0.000 0.507 110 T N 0.519 114.839 114.554 -0.391 0.000 2.899 110 T HA 0.326 4.674 4.350 -0.004 0.000 0.295 110 T C 0.101 174.542 174.700 -0.431 0.000 1.033 110 T CA -0.431 61.472 62.100 -0.329 0.000 1.084 110 T CB 0.476 69.168 68.868 -0.294 0.000 0.979 110 T HN 0.153 nan 8.240 nan 0.000 0.532 111 T N 4.173 118.486 114.554 -0.402 0.000 2.867 111 T HA 0.206 4.553 4.350 -0.004 0.000 0.297 111 T C 0.286 174.438 174.700 -0.914 0.000 0.989 111 T CA -0.423 61.324 62.100 -0.587 0.000 1.159 111 T CB 0.083 68.667 68.868 -0.473 0.000 0.928 111 T HN 0.447 nan 8.240 nan 0.000 0.538 112 K N 2.831 122.552 120.400 -1.131 0.000 2.123 112 K HA 0.514 4.832 4.320 -0.004 0.000 0.259 112 K C -0.846 174.956 176.600 -1.330 0.000 0.960 112 K CA -0.547 54.909 56.287 -1.385 0.000 0.872 112 K CB 1.480 32.722 32.500 -2.097 0.000 1.079 112 K HN 0.588 nan 8.250 nan 0.000 0.440 113 Y N -0.938 119.119 120.300 -0.405 0.000 2.576 113 Y HA 0.333 4.880 4.550 -0.005 0.000 0.346 113 Y C -0.038 176.103 175.900 0.401 0.000 1.018 113 Y CA -0.880 57.221 58.100 0.002 0.000 1.050 113 Y CB 2.556 40.993 38.460 -0.038 0.000 1.280 113 Y HN 0.342 nan 8.280 nan 0.000 0.474 114 S N 2.403 118.453 115.700 0.584 0.000 2.745 114 S HA 0.345 4.813 4.470 -0.004 0.000 0.283 114 S C -1.263 173.567 174.600 0.382 0.000 1.170 114 S CA -0.877 57.677 58.200 0.589 0.000 1.119 114 S CB 0.041 63.657 63.200 0.692 0.000 1.035 114 S HN 0.470 nan 8.310 nan 0.000 0.483 115 N N 3.342 122.193 118.700 0.252 0.000 2.419 115 N HA 0.697 5.435 4.740 -0.004 0.000 0.277 115 N C -0.733 174.837 175.510 0.100 0.000 1.006 115 N CA -0.265 52.778 53.050 -0.012 0.000 0.923 115 N CB 1.073 39.553 38.487 -0.013 0.000 1.140 115 N HN 0.553 nan 8.380 nan 0.000 0.488 116 F N -1.550 118.444 119.950 0.073 0.000 2.715 116 F HA 0.534 5.060 4.527 -0.001 0.000 0.318 116 F C 0.105 175.930 175.800 0.043 0.000 1.141 116 F CA -1.281 56.755 58.000 0.059 0.000 0.950 116 F CB 0.693 39.740 39.000 0.079 0.000 1.374 116 F HN -0.041 nan 8.300 nan 0.000 0.477 117 E N 1.046 121.442 120.200 0.326 0.000 2.413 117 E HA 0.128 4.475 4.350 -0.004 0.000 0.263 117 E C -0.357 176.409 176.600 0.276 0.000 1.015 117 E CA 0.044 56.573 56.400 0.216 0.000 0.916 117 E CB 0.667 30.505 29.700 0.230 0.000 0.947 117 E HN 0.624 nan 8.360 nan 0.000 0.440 118 T N 3.651 118.314 114.554 0.183 0.000 2.871 118 T HA 0.133 4.481 4.350 -0.004 0.000 0.296 118 T C 0.597 175.415 174.700 0.197 0.000 0.998 118 T CA 0.425 62.644 62.100 0.198 0.000 1.162 118 T CB 0.274 69.273 68.868 0.219 0.000 0.947 118 T HN 0.266 nan 8.240 nan 0.000 0.536 119 R N 3.968 124.504 120.500 0.061 0.000 2.510 119 R HA 0.302 4.640 4.340 -0.004 0.000 0.287 119 R C -2.929 173.255 176.300 -0.192 0.000 1.084 119 R CA -1.967 54.051 56.100 -0.138 0.000 0.934 119 R CB 1.712 32.030 30.300 0.030 0.000 1.201 119 R HN 0.334 nan 8.270 nan 0.000 0.431 120 P HA 0.177 nan 4.420 nan 0.000 0.271 120 P C -1.345 175.895 177.300 -0.100 0.000 1.226 120 P CA 0.060 63.017 63.100 -0.239 0.000 0.765 120 P CB 1.547 33.058 31.700 -0.315 0.000 0.835 121 A N 3.510 126.313 122.820 -0.029 0.000 2.606 121 A HA 0.520 4.838 4.320 -0.004 0.000 0.293 121 A C 0.609 178.195 177.584 0.003 0.000 1.082 121 A CA -0.694 51.352 52.037 0.015 0.000 0.685 121 A CB 1.606 20.649 19.000 0.072 0.000 1.284 121 A HN 0.486 nan 8.150 nan 0.000 0.408 122 R N -0.726 119.777 120.500 0.006 0.000 2.221 122 R HA 0.243 4.580 4.340 -0.004 0.000 0.195 122 R C -0.869 175.271 176.300 -0.268 0.000 0.956 122 R CA 0.599 56.617 56.100 -0.137 0.000 1.064 122 R CB 0.185 30.392 30.300 -0.155 0.000 1.049 122 R HN 0.681 nan 8.270 nan 0.000 0.534 123 Y N 0.245 120.512 120.300 -0.054 0.000 2.360 123 Y HA 0.456 5.004 4.550 -0.004 0.000 0.337 123 Y C -0.459 175.547 175.900 0.178 0.000 1.039 123 Y CA -0.864 57.250 58.100 0.023 0.000 1.109 123 Y CB 2.192 40.643 38.460 -0.015 0.000 1.201 123 Y HN -0.301 nan 8.280 nan 0.000 0.458 124 V N 4.036 124.132 119.914 0.304 0.000 2.656 124 V HA 0.605 4.722 4.120 -0.004 0.000 0.307 124 V C -0.698 175.546 176.094 0.249 0.000 1.051 124 V CA -1.172 61.295 62.300 0.278 0.000 0.893 124 V CB 2.059 33.968 31.823 0.143 0.000 0.999 124 V HN 0.741 nan 8.190 nan 0.000 0.426 125 R N 3.581 124.191 120.500 0.183 0.000 2.514 125 R HA 0.645 4.982 4.340 -0.004 0.000 0.296 125 R C -2.094 174.265 176.300 0.099 0.000 1.012 125 R CA -0.726 55.368 56.100 -0.011 0.000 0.897 125 R CB 1.727 31.681 30.300 -0.577 0.000 1.184 125 R HN 0.612 nan 8.270 nan 0.000 0.440 126 L N 5.648 126.964 121.223 0.155 0.000 2.280 126 L HA 0.431 4.768 4.340 -0.004 0.000 0.287 126 L C -1.389 175.597 176.870 0.194 0.000 1.023 126 L CA -0.416 54.547 54.840 0.205 0.000 0.819 126 L CB 1.780 43.990 42.059 0.251 0.000 1.212 126 L HN 0.387 nan 8.230 nan 0.000 0.420 127 V N 5.262 125.282 119.914 0.178 0.000 2.370 127 V HA 0.661 4.779 4.120 -0.004 0.000 0.283 127 V C 0.472 176.673 176.094 0.179 0.000 1.023 127 V CA -0.474 61.922 62.300 0.160 0.000 0.857 127 V CB 1.189 33.095 31.823 0.139 0.000 0.985 127 V HN 0.920 nan 8.190 nan 0.000 0.443 128 A N 5.447 128.398 122.820 0.218 0.000 2.478 128 A HA 0.576 4.894 4.320 -0.004 0.000 0.327 128 A C 0.920 178.581 177.584 0.128 0.000 1.431 128 A CA -0.330 51.833 52.037 0.210 0.000 1.014 128 A CB -0.118 19.053 19.000 0.285 0.000 1.143 128 A HN 0.848 nan 8.150 nan 0.000 0.532 129 I N 1.430 122.049 120.570 0.081 0.000 2.252 129 I HA -0.084 4.084 4.170 -0.004 0.000 0.245 129 I C 1.525 177.651 176.117 0.014 0.000 1.102 129 I CA 1.691 63.008 61.300 0.028 0.000 1.385 129 I CB -0.140 37.865 38.000 0.009 0.000 1.064 129 I HN 0.706 nan 8.210 nan 0.000 0.414 130 T N -2.743 111.838 114.554 0.045 0.000 2.865 130 T HA 0.389 4.737 4.350 -0.004 0.000 0.294 130 T C -0.625 174.121 174.700 0.077 0.000 1.119 130 T CA -0.886 61.235 62.100 0.036 0.000 1.007 130 T CB 2.846 71.732 68.868 0.030 0.000 1.225 130 T HN -0.026 nan 8.240 nan 0.000 0.515 131 E N -0.175 120.059 120.200 0.056 0.000 2.204 131 E HA 0.523 4.871 4.350 -0.004 0.000 0.276 131 E C 1.238 177.894 176.600 0.092 0.000 0.974 131 E CA -0.489 55.961 56.400 0.084 0.000 0.815 131 E CB 1.811 31.532 29.700 0.035 0.000 1.119 131 E HN 0.835 nan 8.360 nan 0.000 0.393 132 A N 4.232 127.144 122.820 0.153 0.000 1.986 132 A HA -0.226 4.092 4.320 -0.004 0.000 0.220 132 A C 1.229 178.867 177.584 0.091 0.000 1.171 132 A CA 2.037 54.163 52.037 0.149 0.000 0.640 132 A CB -0.342 18.811 19.000 0.255 0.000 0.811 132 A HN 0.712 nan 8.150 nan 0.000 0.451 133 N N -2.004 116.736 118.700 0.068 0.000 2.234 133 N HA 0.387 5.125 4.740 -0.004 0.000 0.227 133 N C 0.698 176.206 175.510 -0.004 0.000 1.151 133 N CA 0.576 53.641 53.050 0.025 0.000 0.865 133 N CB 0.800 39.290 38.487 0.006 0.000 1.066 133 N HN 0.527 nan 8.380 nan 0.000 0.515 134 G N 0.587 109.383 108.800 -0.008 0.000 2.153 134 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.252 134 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.252 134 G C 0.014 174.857 174.900 -0.096 0.000 0.994 134 G CA 0.105 45.182 45.100 -0.039 0.000 0.698 134 G HN 0.370 nan 8.290 nan 0.000 0.521 135 Q N -0.479 119.250 119.800 -0.118 0.000 2.317 135 Q HA 0.424 4.762 4.340 -0.004 0.000 0.229 135 Q C -1.466 174.293 176.000 -0.401 0.000 0.984 135 Q CA -1.533 54.105 55.803 -0.275 0.000 0.911 135 Q CB 1.106 29.744 28.738 -0.166 0.000 1.217 135 Q HN 0.109 nan 8.270 nan 0.000 0.501 136 P HA -0.084 nan 4.420 nan 0.000 0.233 136 P C -0.846 176.181 177.300 -0.455 0.000 1.167 136 P CA 0.762 63.470 63.100 -0.654 0.000 0.770 136 P CB 0.353 31.585 31.700 -0.779 0.000 0.837 137 W N -0.576 120.731 121.300 0.011 0.000 2.390 137 W HA 0.490 5.148 4.660 -0.003 0.000 0.362 137 W C -0.051 176.352 176.519 -0.193 0.000 1.206 137 W CA -0.058 57.207 57.345 -0.134 0.000 1.355 137 W CB 0.038 29.336 29.460 -0.270 0.000 1.278 137 W HN -0.355 nan 8.180 nan 0.000 0.653 138 T N 1.425 115.853 114.554 -0.209 0.000 2.991 138 T HA 0.340 4.688 4.350 -0.004 0.000 0.303 138 T C -0.757 173.554 174.700 -0.647 0.000 1.015 138 T CA -0.608 61.326 62.100 -0.276 0.000 1.007 138 T CB 1.446 70.246 68.868 -0.113 0.000 1.034 138 T HN 0.350 nan 8.240 nan 0.000 0.446 139 S N 2.976 118.451 115.700 -0.375 0.000 2.571 139 S HA 0.815 5.283 4.470 -0.004 0.000 0.284 139 S C -0.946 173.664 174.600 0.016 0.000 1.128 139 S CA -0.843 57.184 58.200 -0.287 0.000 0.970 139 S CB 0.888 63.888 63.200 -0.333 0.000 1.039 139 S HN 0.624 nan 8.310 nan 0.000 0.485 140 I N 2.724 123.429 120.570 0.226 0.000 2.466 140 I HA 0.528 4.696 4.170 -0.004 0.000 0.289 140 I C 0.961 177.224 176.117 0.244 0.000 1.026 140 I CA -1.030 60.398 61.300 0.215 0.000 1.078 140 I CB 1.989 40.111 38.000 0.203 0.000 1.249 140 I HN 0.868 nan 8.210 nan 0.000 0.429 141 A N 5.007 127.916 122.820 0.149 0.000 1.850 141 A HA 0.187 4.505 4.320 -0.004 0.000 0.212 141 A C 0.687 178.340 177.584 0.115 0.000 1.208 141 A CA 1.123 53.267 52.037 0.178 0.000 0.609 141 A CB 0.184 19.251 19.000 0.112 0.000 0.860 141 A HN 0.646 nan 8.150 nan 0.000 0.448 142 E N -0.976 119.247 120.200 0.039 0.000 2.275 142 E HA 0.529 4.876 4.350 -0.004 0.000 0.270 142 E C -1.793 174.791 176.600 -0.026 0.000 0.882 142 E CA -0.232 56.175 56.400 0.011 0.000 0.758 142 E CB 1.971 31.672 29.700 0.002 0.000 1.195 142 E HN 0.391 nan 8.360 nan 0.000 0.419 143 I N 3.030 123.589 120.570 -0.018 0.000 2.418 143 I HA 0.352 4.520 4.170 -0.004 0.000 0.287 143 I C -1.095 175.076 176.117 0.090 0.000 1.008 143 I CA -0.458 60.840 61.300 -0.004 0.000 1.104 143 I CB 0.724 38.642 38.000 -0.137 0.000 1.264 143 I HN 0.259 nan 8.210 nan 0.000 0.438 144 N N 6.001 124.752 118.700 0.086 0.000 2.272 144 N HA 0.527 5.265 4.740 -0.004 0.000 0.305 144 N C -1.418 174.128 175.510 0.060 0.000 1.103 144 N CA -0.490 52.561 53.050 0.001 0.000 0.791 144 N CB 2.944 41.281 38.487 -0.250 0.000 1.356 144 N HN 0.218 nan 8.380 nan 0.000 0.486 145 V N 2.320 122.287 119.914 0.089 0.000 2.495 145 V HA 0.509 4.626 4.120 -0.004 0.000 0.298 145 V C -0.674 175.349 176.094 -0.119 0.000 1.031 145 V CA -0.608 61.784 62.300 0.153 0.000 0.871 145 V CB 0.906 32.893 31.823 0.274 0.000 0.988 145 V HN 0.462 nan 8.190 nan 0.000 0.432 146 F N 2.807 122.829 119.950 0.120 0.000 2.440 146 F HA 0.693 5.217 4.527 -0.005 0.000 0.328 146 F C 0.413 176.228 175.800 0.026 0.000 1.070 146 F CA -0.493 57.538 58.000 0.051 0.000 1.011 146 F CB 1.633 40.627 39.000 -0.011 0.000 1.226 146 F HN 0.554 nan 8.300 nan 0.000 0.491 147 Q N 1.319 121.240 119.800 0.200 0.000 2.423 147 Q HA 0.868 5.206 4.340 -0.004 0.000 0.278 147 Q C -1.502 174.550 176.000 0.087 0.000 1.097 147 Q CA -1.376 54.497 55.803 0.117 0.000 0.809 147 Q CB 2.245 31.038 28.738 0.093 0.000 1.391 147 Q HN 0.729 nan 8.270 nan 0.000 0.428 148 A N 1.156 124.009 122.820 0.054 0.000 2.246 148 A HA 0.438 4.756 4.320 -0.004 0.000 0.291 148 A C 0.946 178.550 177.584 0.034 0.000 1.103 148 A CA -0.038 52.014 52.037 0.024 0.000 0.844 148 A CB 0.585 19.593 19.000 0.013 0.000 1.136 148 A HN 1.007 nan 8.150 nan 0.000 0.500 149 S N -0.451 115.257 115.700 0.015 0.000 2.402 149 S HA 0.107 4.575 4.470 -0.004 0.000 0.229 149 S C 0.753 175.372 174.600 0.031 0.000 1.021 149 S CA 0.982 59.193 58.200 0.019 0.000 0.974 149 S CB -0.685 62.517 63.200 0.003 0.000 0.800 149 S HN 1.944 nan 8.310 nan 0.000 0.484 150 S N -0.957 114.766 115.700 0.040 0.000 2.611 150 S HA 0.588 5.056 4.470 -0.004 0.000 0.268 150 S C -1.672 173.000 174.600 0.120 0.000 1.156 150 S CA -1.020 57.219 58.200 0.067 0.000 0.817 150 S CB 0.931 64.150 63.200 0.032 0.000 1.122 150 S HN 0.359 nan 8.310 nan 0.000 0.466 151 Y N 1.544 121.844 120.300 -0.001 0.000 2.376 151 Y HA 0.663 5.210 4.550 -0.006 0.000 0.340 151 Y C -0.635 175.265 175.900 0.001 0.000 0.965 151 Y CA -0.221 57.880 58.100 0.002 0.000 1.078 151 Y CB 1.980 40.451 38.460 0.017 0.000 1.193 151 Y HN 1.024 nan 8.280 nan 0.000 0.452 152 T N 3.215 117.398 114.554 -0.618 0.000 2.840 152 T HA 0.786 5.133 4.350 -0.004 0.000 0.287 152 T C -0.313 173.879 174.700 -0.848 0.000 0.991 152 T CA -0.744 61.026 62.100 -0.550 0.000 0.964 152 T CB 1.084 69.799 68.868 -0.254 0.000 0.954 152 T HN 0.945 nan 8.240 nan 0.000 0.438 153 A N 4.652 127.023 122.820 -0.748 0.000 2.488 153 A HA 0.537 4.855 4.320 -0.004 0.000 0.249 153 A C -1.981 175.476 177.584 -0.212 0.000 1.083 153 A CA -1.053 50.702 52.037 -0.471 0.000 0.768 153 A CB -0.843 18.047 19.000 -0.184 0.000 1.017 153 A HN 0.704 nan 8.150 nan 0.000 0.496 154 P HA 0.102 nan 4.420 nan 0.000 0.264 154 P C -0.434 176.840 177.300 -0.044 0.000 1.193 154 P CA 0.237 63.317 63.100 -0.034 0.000 0.763 154 P CB 0.397 32.109 31.700 0.019 0.000 0.810 155 Q N 4.535 124.317 119.800 -0.030 0.000 2.289 155 Q HA 0.127 4.465 4.340 -0.004 0.000 0.273 155 Q C -2.002 173.968 176.000 -0.049 0.000 1.029 155 Q CA -1.490 54.294 55.803 -0.032 0.000 0.896 155 Q CB -0.226 28.505 28.738 -0.011 0.000 1.182 155 Q HN 0.341 nan 8.270 nan 0.000 0.385 156 P HA -0.007 nan 4.420 nan 0.000 0.267 156 P C 0.470 177.727 177.300 -0.072 0.000 1.205 156 P CA 0.740 63.787 63.100 -0.088 0.000 0.765 156 P CB 0.664 32.324 31.700 -0.066 0.000 0.828 157 G N 2.453 111.195 108.800 -0.097 0.000 2.175 157 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.244 157 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.244 157 G C 0.348 175.219 174.900 -0.047 0.000 0.982 157 G CA -0.222 44.840 45.100 -0.064 0.000 0.641 157 G HN 0.502 nan 8.290 nan 0.000 0.527 158 L N 0.960 122.163 121.223 -0.033 0.000 3.017 158 L HA 0.513 4.851 4.340 -0.004 0.000 0.255 158 L C 1.454 178.380 176.870 0.093 0.000 1.247 158 L CA 0.130 54.996 54.840 0.044 0.000 1.038 158 L CB -0.196 41.908 42.059 0.075 0.000 1.380 158 L HN 1.015 nan 8.230 nan 0.000 0.548 159 G N 1.135 109.898 108.800 -0.060 0.000 2.782 159 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.228 159 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.228 159 G C -0.542 174.196 174.900 -0.269 0.000 1.372 159 G CA -0.730 44.211 45.100 -0.264 0.000 0.862 159 G HN 0.278 nan 8.290 nan 0.000 0.547 160 R N -1.387 118.828 120.500 -0.474 0.000 2.584 160 R HA 0.401 4.738 4.340 -0.004 0.000 0.276 160 R C -1.360 174.825 176.300 -0.191 0.000 1.046 160 R CA -0.641 55.343 56.100 -0.193 0.000 0.906 160 R CB 1.688 31.914 30.300 -0.123 0.000 1.215 160 R HN 0.514 nan 8.270 nan 0.000 0.449 161 W N 1.067 122.440 121.300 0.121 0.000 2.469 161 W HA 0.600 5.259 4.660 -0.000 0.000 0.320 161 W C 0.564 177.145 176.519 0.104 0.000 1.086 161 W CA 0.334 57.787 57.345 0.181 0.000 1.211 161 W CB 2.182 31.773 29.460 0.219 0.000 1.298 161 W HN 0.828 nan 8.180 nan 0.000 0.525 162 G N 3.588 112.603 108.800 0.358 0.000 2.402 162 G HA2 0.033 3.990 3.960 -0.004 0.000 0.666 162 G HA3 0.033 3.990 3.960 -0.004 0.000 0.666 162 G C -2.981 171.996 174.900 0.128 0.000 1.402 162 G CA -1.447 43.784 45.100 0.219 0.000 0.920 162 G HN 0.262 nan 8.290 nan 0.000 0.651 163 P HA 0.551 nan 4.420 nan 0.000 0.282 163 P C -0.116 177.213 177.300 0.048 0.000 1.287 163 P CA -0.102 63.033 63.100 0.059 0.000 0.792 163 P CB 0.995 32.700 31.700 0.007 0.000 1.163 164 T N 0.886 115.465 114.554 0.042 0.000 2.875 164 T HA 0.389 4.737 4.350 -0.004 0.000 0.284 164 T C 0.110 174.769 174.700 -0.068 0.000 0.995 164 T CA -0.189 61.928 62.100 0.028 0.000 1.060 164 T CB 0.092 69.053 68.868 0.156 0.000 0.967 164 T HN 0.146 nan 8.240 nan 0.000 0.476 165 I N 3.690 124.161 120.570 -0.164 0.000 2.328 165 I HA 0.284 4.452 4.170 -0.004 0.000 0.287 165 I C -0.034 176.036 176.117 -0.078 0.000 1.012 165 I CA -1.073 60.081 61.300 -0.243 0.000 1.195 165 I CB 0.977 38.636 38.000 -0.569 0.000 1.350 165 I HN 0.511 nan 8.210 nan 0.000 0.464 166 D N 7.316 127.707 120.400 -0.014 0.000 2.308 166 D HA 0.502 5.140 4.640 -0.004 0.000 0.251 166 D C 0.017 176.411 176.300 0.158 0.000 1.127 166 D CA 0.055 54.139 54.000 0.140 0.000 0.876 166 D CB 1.764 42.675 40.800 0.185 0.000 1.176 166 D HN 0.299 nan 8.370 nan 0.000 0.446 167 L N 3.495 124.887 121.223 0.282 0.000 2.341 167 L HA 0.370 4.707 4.340 -0.004 0.000 0.267 167 L C -1.539 175.583 176.870 0.420 0.000 1.009 167 L CA -1.772 53.252 54.840 0.307 0.000 0.819 167 L CB 2.770 44.991 42.059 0.269 0.000 1.323 167 L HN 0.168 nan 8.230 nan 0.000 0.425 168 P HA 0.041 nan 4.420 nan 0.000 0.240 168 P C -0.142 177.447 177.300 0.482 0.000 1.190 168 P CA 0.799 64.177 63.100 0.463 0.000 0.781 168 P CB 0.396 32.375 31.700 0.465 0.000 0.931 169 I N -4.850 115.977 120.570 0.428 0.000 3.239 169 I HA 0.527 4.695 4.170 -0.004 0.000 0.314 169 I C -0.817 175.354 176.117 0.090 0.000 1.126 169 I CA -1.728 59.729 61.300 0.261 0.000 0.973 169 I CB 2.332 40.419 38.000 0.145 0.000 1.252 169 I HN -0.486 nan 8.210 nan 0.000 0.463 170 V N 3.334 123.113 119.914 -0.225 0.000 2.368 170 V HA 0.324 4.441 4.120 -0.004 0.000 0.266 170 V C -2.036 173.975 176.094 -0.139 0.000 1.045 170 V CA -1.296 60.819 62.300 -0.309 0.000 0.899 170 V CB 0.808 32.347 31.823 -0.474 0.000 1.006 170 V HN 0.615 nan 8.190 nan 0.000 0.470 171 P HA 0.180 nan 4.420 nan 0.000 0.244 171 P C 0.551 177.752 177.300 -0.164 0.000 1.769 171 P CA -0.049 63.014 63.100 -0.062 0.000 1.102 171 P CB 0.848 32.578 31.700 0.050 0.000 1.937 172 A N 2.327 125.007 122.820 -0.234 0.000 2.119 172 A HA 0.345 4.662 4.320 -0.004 0.000 0.217 172 A C 1.126 178.448 177.584 -0.436 0.000 1.153 172 A CA 0.813 52.647 52.037 -0.338 0.000 0.692 172 A CB -0.057 18.710 19.000 -0.387 0.000 0.799 172 A HN 0.507 nan 8.150 nan 0.000 0.458 173 A N -1.444 121.042 122.820 -0.557 0.000 2.486 173 A HA 0.801 5.119 4.320 -0.004 0.000 0.300 173 A C -0.458 176.583 177.584 -0.905 0.000 1.048 173 A CA 0.099 51.603 52.037 -0.889 0.000 0.696 173 A CB 1.180 19.266 19.000 -1.523 0.000 1.278 173 A HN 1.600 nan 8.150 nan 0.000 0.405 174 A N 0.097 122.494 122.820 -0.706 0.000 2.610 174 A HA 1.038 5.355 4.320 -0.004 0.000 0.291 174 A C -0.642 176.836 177.584 -0.176 0.000 1.086 174 A CA -0.000 51.818 52.037 -0.364 0.000 0.677 174 A CB 1.129 20.070 19.000 -0.099 0.000 1.278 174 A HN 2.705 nan 8.150 nan 0.000 0.414 175 A N 0.625 123.433 122.820 -0.019 0.000 2.604 175 A HA 0.669 4.986 4.320 -0.004 0.000 0.295 175 A C -1.283 176.312 177.584 0.018 0.000 1.067 175 A CA -0.468 51.599 52.037 0.050 0.000 0.683 175 A CB 0.785 19.873 19.000 0.147 0.000 1.281 175 A HN 0.840 nan 8.150 nan 0.000 0.407 176 I N 1.283 121.880 120.570 0.045 0.000 2.428 176 I HA 0.229 4.396 4.170 -0.004 0.000 0.289 176 I C 0.244 176.315 176.117 -0.076 0.000 1.019 176 I CA 0.015 61.328 61.300 0.021 0.000 1.351 176 I CB 1.088 39.203 38.000 0.192 0.000 1.412 176 I HN 0.727 nan 8.210 nan 0.000 0.513 177 E N 8.248 128.380 120.200 -0.114 0.000 1.963 177 E HA 0.143 4.491 4.350 -0.004 0.000 0.274 177 E C -1.490 174.907 176.600 -0.339 0.000 1.061 177 E CA -1.538 54.784 56.400 -0.129 0.000 0.847 177 E CB 0.796 30.485 29.700 -0.018 0.000 1.083 177 E HN 0.390 nan 8.360 nan 0.000 0.402 178 P HA -0.282 nan 4.420 nan 0.000 0.216 178 P C 1.417 178.318 177.300 -0.665 0.000 1.150 178 P CA 1.636 64.068 63.100 -1.113 0.000 0.843 178 P CB 0.056 30.755 31.700 -1.667 0.000 0.787 179 T N -2.830 111.385 114.554 -0.565 0.000 2.951 179 T HA -0.038 4.309 4.350 -0.004 0.000 0.268 179 T C 1.948 176.540 174.700 -0.179 0.000 1.073 179 T CA 1.516 63.429 62.100 -0.311 0.000 1.134 179 T CB -0.861 67.860 68.868 -0.246 0.000 0.884 179 T HN 0.294 nan 8.240 nan 0.000 0.479 180 S N -0.215 115.380 115.700 -0.175 0.000 2.539 180 S HA 0.512 4.979 4.470 -0.004 0.000 0.226 180 S C 1.937 176.471 174.600 -0.110 0.000 1.054 180 S CA 0.454 58.586 58.200 -0.115 0.000 0.910 180 S CB -0.144 63.003 63.200 -0.088 0.000 0.818 180 S HN 1.206 nan 8.310 nan 0.000 0.490 181 G N 1.766 110.492 108.800 -0.123 0.000 2.157 181 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.248 181 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.248 181 G C 0.081 174.918 174.900 -0.105 0.000 0.979 181 G CA -0.042 45.012 45.100 -0.076 0.000 0.650 181 G HN 0.581 nan 8.290 nan 0.000 0.529 182 R N -0.550 119.878 120.500 -0.120 0.000 2.528 182 R HA 0.543 4.880 4.340 -0.004 0.000 0.271 182 R C 0.035 176.273 176.300 -0.103 0.000 1.056 182 R CA -0.508 55.512 56.100 -0.133 0.000 1.117 182 R CB 1.403 31.645 30.300 -0.097 0.000 1.085 182 R HN 0.077 nan 8.270 nan 0.000 0.530 183 V N 3.654 123.505 119.914 -0.105 0.000 2.364 183 V HA 0.165 4.282 4.120 -0.004 0.000 0.272 183 V C -0.276 175.785 176.094 -0.055 0.000 1.036 183 V CA -0.676 61.537 62.300 -0.145 0.000 0.880 183 V CB 1.112 32.670 31.823 -0.441 0.000 0.991 183 V HN 0.438 nan 8.190 nan 0.000 0.460 184 L N 6.983 128.183 121.223 -0.039 0.000 2.292 184 L HA 0.709 5.047 4.340 -0.004 0.000 0.284 184 L C -0.306 176.646 176.870 0.137 0.000 1.065 184 L CA 0.437 55.296 54.840 0.033 0.000 0.806 184 L CB 1.076 43.069 42.059 -0.109 0.000 1.175 184 L HN 0.664 nan 8.230 nan 0.000 0.431 185 M N 4.747 124.486 119.600 0.231 0.000 2.550 185 M HA 0.571 5.048 4.480 -0.004 0.000 0.292 185 M C -1.760 174.772 176.300 0.387 0.000 1.221 185 M CA -0.326 55.089 55.300 0.192 0.000 0.873 185 M CB 2.287 34.983 32.600 0.160 0.000 1.727 185 M HN 0.739 nan 8.290 nan 0.000 0.459 186 W N 0.014 121.350 121.300 0.060 0.000 3.296 186 W HA 0.771 5.428 4.660 -0.006 0.000 0.314 186 W C -0.565 175.966 176.519 0.021 0.000 1.238 186 W CA -0.576 56.790 57.345 0.035 0.000 1.193 186 W CB 0.227 29.690 29.460 0.005 0.000 1.383 186 W HN 0.718 nan 8.180 nan 0.000 0.545 187 S N 1.135 116.986 115.700 0.253 0.000 2.967 187 S HA 0.724 5.192 4.470 -0.004 0.000 0.167 187 S C 0.453 175.183 174.600 0.217 0.000 0.696 187 S CA 0.761 59.030 58.200 0.115 0.000 0.874 187 S CB 0.420 63.620 63.200 -0.001 0.000 0.718 187 S HN 0.860 nan 8.310 nan 0.000 0.634 188 S N -0.984 114.799 115.700 0.137 0.000 3.813 188 S HA 0.344 4.812 4.470 -0.004 0.000 0.309 188 S C 0.348 175.062 174.600 0.190 0.000 1.136 188 S CA 0.168 58.489 58.200 0.202 0.000 1.190 188 S CB -0.577 62.692 63.200 0.114 0.000 1.582 188 S HN 0.686 nan 8.310 nan 0.000 0.647 189 Y N 1.707 122.039 120.300 0.053 0.000 2.373 189 Y HA 0.485 5.032 4.550 -0.004 0.000 0.293 189 Y C 0.837 176.751 175.900 0.023 0.000 1.129 189 Y CA 0.625 58.750 58.100 0.041 0.000 1.226 189 Y CB -0.184 38.305 38.460 0.050 0.000 1.000 189 Y HN 0.201 nan 8.280 nan 0.000 0.549 190 R N 0.798 121.003 120.500 -0.493 0.000 2.939 190 R HA 0.194 4.532 4.340 -0.004 0.000 0.254 190 R C 0.948 177.068 176.300 -0.300 0.000 1.123 190 R CA -0.136 55.647 56.100 -0.530 0.000 1.020 190 R CB 0.714 30.530 30.300 -0.807 0.000 1.206 190 R HN 0.287 nan 8.270 nan 0.000 0.491 191 N N 0.226 118.712 118.700 -0.357 0.000 2.331 191 N HA -0.146 4.591 4.740 -0.004 0.000 0.180 191 N C 0.325 175.712 175.510 -0.205 0.000 1.019 191 N CA 1.457 54.343 53.050 -0.273 0.000 0.881 191 N CB 0.019 38.171 38.487 -0.558 0.000 0.972 191 N HN 0.606 nan 8.380 nan 0.000 0.435 192 D N -1.677 118.588 120.400 -0.226 0.000 2.520 192 D HA 0.394 5.031 4.640 -0.004 0.000 0.223 192 D C -0.048 176.134 176.300 -0.197 0.000 1.186 192 D CA -0.357 53.507 54.000 -0.226 0.000 0.821 192 D CB 0.146 40.908 40.800 -0.063 0.000 1.072 192 D HN 0.342 nan 8.370 nan 0.000 0.518 193 A N -0.307 122.387 122.820 -0.210 0.000 2.527 193 A HA 0.660 4.977 4.320 -0.004 0.000 0.293 193 A C -0.720 176.870 177.584 0.010 0.000 1.117 193 A CA -0.846 51.103 52.037 -0.148 0.000 0.723 193 A CB 0.931 19.825 19.000 -0.177 0.000 1.313 193 A HN 0.159 nan 8.150 nan 0.000 0.411 194 F N -0.991 118.928 119.950 -0.052 0.000 2.815 194 F HA 0.475 4.999 4.527 -0.004 0.000 0.328 194 F C 0.987 176.880 175.800 0.155 0.000 0.982 194 F CA 0.055 58.079 58.000 0.039 0.000 1.154 194 F CB -0.205 38.529 39.000 -0.445 0.000 0.980 194 F HN 0.708 nan 8.300 nan 0.000 0.603 195 G N 0.853 109.260 108.800 -0.655 0.000 2.343 195 G HA2 0.368 4.325 3.960 -0.004 0.000 0.254 195 G HA3 0.368 4.325 3.960 -0.004 0.000 0.254 195 G C 0.895 175.691 174.900 -0.174 0.000 1.277 195 G CA 0.176 44.999 45.100 -0.463 0.000 0.909 195 G HN 1.412 nan 8.290 nan 0.000 0.502 196 G N 0.639 109.338 108.800 -0.169 0.000 2.248 196 G HA2 -0.112 3.845 3.960 -0.004 0.000 0.252 196 G HA3 -0.112 3.845 3.960 -0.004 0.000 0.252 196 G C 0.395 175.061 174.900 -0.389 0.000 1.085 196 G CA 0.335 45.333 45.100 -0.170 0.000 0.845 196 G HN 1.292 nan 8.290 nan 0.000 0.494 197 S N 0.466 115.862 115.700 -0.507 0.000 2.499 197 S HA 0.659 5.126 4.470 -0.004 0.000 0.279 197 S C 0.253 174.615 174.600 -0.398 0.000 1.219 197 S CA -0.571 57.120 58.200 -0.849 0.000 1.062 197 S CB 1.233 64.097 63.200 -0.560 0.000 0.978 197 S HN 0.294 nan 8.310 nan 0.000 0.489 198 P HA 0.243 nan 4.420 nan 0.000 0.240 198 P C 0.713 177.969 177.300 -0.072 0.000 1.190 198 P CA 0.442 63.460 63.100 -0.137 0.000 0.781 198 P CB -0.486 31.168 31.700 -0.077 0.000 0.931 199 G N -0.496 108.261 108.800 -0.072 0.000 2.781 199 G HA2 0.176 4.133 3.960 -0.004 0.000 0.683 199 G HA3 0.176 4.133 3.960 -0.004 0.000 0.683 199 G C 0.448 175.375 174.900 0.044 0.000 1.390 199 G CA -0.139 44.970 45.100 0.014 0.000 0.850 199 G HN 0.667 nan 8.290 nan 0.000 0.557 200 G N -1.390 107.453 108.800 0.072 0.000 2.143 200 G HA2 0.075 4.032 3.960 -0.004 0.000 0.249 200 G HA3 0.075 4.032 3.960 -0.004 0.000 0.249 200 G C 0.382 175.314 174.900 0.053 0.000 0.981 200 G CA 1.123 46.262 45.100 0.064 0.000 0.665 200 G HN 2.282 nan 8.290 nan 0.000 0.528 201 I N 0.229 120.839 120.570 0.066 0.000 2.644 201 I HA 0.646 4.813 4.170 -0.004 0.000 0.291 201 I C -1.069 175.072 176.117 0.040 0.000 1.180 201 I CA -0.552 60.778 61.300 0.050 0.000 1.040 201 I CB 2.036 40.096 38.000 0.099 0.000 1.255 201 I HN -0.005 nan 8.210 nan 0.000 0.422 202 T N 7.674 122.194 114.554 -0.056 0.000 2.879 202 T HA 0.484 4.832 4.350 -0.004 0.000 0.290 202 T C -0.815 173.852 174.700 -0.055 0.000 0.993 202 T CA -0.404 61.646 62.100 -0.084 0.000 0.975 202 T CB 1.587 70.265 68.868 -0.316 0.000 0.981 202 T HN 0.296 nan 8.240 nan 0.000 0.439 203 L N 4.370 125.617 121.223 0.040 0.000 2.260 203 L HA 0.478 4.816 4.340 -0.004 0.000 0.289 203 L C 0.980 177.927 176.870 0.128 0.000 1.057 203 L CA 0.028 54.919 54.840 0.085 0.000 0.811 203 L CB 0.756 42.879 42.059 0.106 0.000 1.184 203 L HN 0.852 nan 8.230 nan 0.000 0.429 204 T N -0.142 114.486 114.554 0.123 0.000 2.940 204 T HA 0.819 5.167 4.350 -0.004 0.000 0.288 204 T C -0.171 174.658 174.700 0.215 0.000 1.033 204 T CA -0.798 61.422 62.100 0.200 0.000 1.033 204 T CB 1.890 70.868 68.868 0.184 0.000 1.079 204 T HN 0.422 nan 8.240 nan 0.000 0.496 205 S N 0.173 116.017 115.700 0.239 0.000 2.556 205 S HA 0.743 5.210 4.470 -0.004 0.000 0.271 205 S C -1.124 173.602 174.600 0.209 0.000 1.135 205 S CA -0.583 57.749 58.200 0.221 0.000 0.858 205 S CB 1.390 64.731 63.200 0.234 0.000 1.114 205 S HN 1.413 nan 8.310 nan 0.000 0.468 206 S N 2.339 118.155 115.700 0.193 0.000 2.570 206 S HA 0.800 5.267 4.470 -0.004 0.000 0.286 206 S C -1.691 173.049 174.600 0.234 0.000 1.099 206 S CA -0.725 57.575 58.200 0.166 0.000 0.913 206 S CB 1.409 64.672 63.200 0.105 0.000 1.085 206 S HN 0.832 nan 8.310 nan 0.000 0.480 207 W N 2.456 123.751 121.300 -0.008 0.000 2.781 207 W HA 0.557 5.218 4.660 0.002 0.000 0.333 207 W C -1.730 174.765 176.519 -0.040 0.000 1.047 207 W CA -0.525 56.820 57.345 0.000 0.000 1.236 207 W CB 1.647 31.131 29.460 0.040 0.000 1.394 207 W HN 0.761 nan 8.180 nan 0.000 0.466 208 D N 7.265 127.286 120.400 -0.630 0.000 2.373 208 D HA 0.287 4.924 4.640 -0.004 0.000 0.227 208 D C -1.691 173.911 176.300 -1.165 0.000 1.091 208 D CA -2.154 51.444 54.000 -0.671 0.000 0.840 208 D CB 2.530 43.127 40.800 -0.339 0.000 1.060 208 D HN 0.111 nan 8.370 nan 0.000 0.502 209 P HA -0.127 nan 4.420 nan 0.000 0.219 209 P C 1.230 178.255 177.300 -0.459 0.000 1.146 209 P CA 1.002 63.474 63.100 -1.046 0.000 0.808 209 P CB 0.301 31.665 31.700 -0.560 0.000 0.779 210 S N -2.243 113.253 115.700 -0.340 0.000 2.458 210 S HA -0.045 4.423 4.470 -0.004 0.000 0.223 210 S C 1.774 176.286 174.600 -0.147 0.000 1.019 210 S CA 1.392 59.482 58.200 -0.183 0.000 0.937 210 S CB -1.451 61.667 63.200 -0.138 0.000 0.788 210 S HN 0.258 nan 8.310 nan 0.000 0.511 211 T N -3.617 110.822 114.554 -0.192 0.000 2.978 211 T HA 0.511 4.858 4.350 -0.004 0.000 0.248 211 T C 1.722 176.372 174.700 -0.084 0.000 1.018 211 T CA 0.884 62.914 62.100 -0.117 0.000 1.026 211 T CB -0.180 68.626 68.868 -0.103 0.000 1.032 211 T HN 1.189 nan 8.240 nan 0.000 0.485 212 G N 1.699 110.410 108.800 -0.149 0.000 2.179 212 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.260 212 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.260 212 G C 0.048 175.032 174.900 0.140 0.000 0.977 212 G CA 0.158 45.301 45.100 0.073 0.000 0.641 212 G HN 0.685 nan 8.290 nan 0.000 0.533 213 I N 1.093 121.671 120.570 0.013 0.000 2.496 213 I HA 0.377 4.545 4.170 -0.004 0.000 0.285 213 I C 0.495 176.699 176.117 0.145 0.000 1.080 213 I CA -0.535 60.801 61.300 0.061 0.000 1.404 213 I CB 1.456 39.462 38.000 0.010 0.000 1.403 213 I HN -0.111 nan 8.210 nan 0.000 0.539 214 V N 5.973 125.996 119.914 0.181 0.000 2.384 214 V HA 0.396 4.514 4.120 -0.004 0.000 0.287 214 V C 0.052 176.236 176.094 0.151 0.000 1.020 214 V CA -0.338 62.095 62.300 0.222 0.000 0.850 214 V CB 1.506 33.468 31.823 0.230 0.000 0.987 214 V HN 0.898 nan 8.190 nan 0.000 0.436 215 S N 2.721 118.510 115.700 0.148 0.000 2.600 215 S HA 0.893 5.360 4.470 -0.004 0.000 0.300 215 S C -1.313 173.377 174.600 0.150 0.000 1.087 215 S CA -0.923 57.353 58.200 0.126 0.000 0.965 215 S CB 2.443 65.702 63.200 0.098 0.000 1.089 215 S HN 0.767 nan 8.310 nan 0.000 0.496 216 D N -0.303 120.182 120.400 0.142 0.000 2.527 216 D HA 0.620 5.258 4.640 -0.004 0.000 0.233 216 D C -0.689 175.694 176.300 0.137 0.000 1.063 216 D CA -0.717 53.378 54.000 0.159 0.000 0.880 216 D CB 1.237 42.150 40.800 0.187 0.000 1.457 216 D HN 0.660 nan 8.370 nan 0.000 0.475 217 R N 0.159 120.745 120.500 0.143 0.000 2.584 217 R HA 0.472 4.809 4.340 -0.004 0.000 0.276 217 R C -1.395 174.961 176.300 0.093 0.000 1.046 217 R CA -0.548 55.625 56.100 0.121 0.000 0.906 217 R CB 1.881 32.269 30.300 0.148 0.000 1.215 217 R HN 0.557 nan 8.270 nan 0.000 0.449 218 T N 3.432 118.029 114.554 0.072 0.000 2.728 218 T HA 0.252 4.599 4.350 -0.004 0.000 0.296 218 T C -0.299 174.398 174.700 -0.005 0.000 0.940 218 T CA -0.352 61.773 62.100 0.041 0.000 1.013 218 T CB 1.120 70.025 68.868 0.061 0.000 0.912 218 T HN 0.214 nan 8.240 nan 0.000 0.484 219 V N 4.866 124.722 119.914 -0.095 0.000 2.333 219 V HA 0.335 4.453 4.120 -0.004 0.000 0.274 219 V C 1.251 177.266 176.094 -0.132 0.000 1.028 219 V CA -0.458 61.732 62.300 -0.183 0.000 0.851 219 V CB 0.767 32.264 31.823 -0.544 0.000 1.000 219 V HN 1.136 nan 8.190 nan 0.000 0.456 220 T N 0.443 114.966 114.554 -0.052 0.000 2.975 220 T HA 0.014 4.362 4.350 -0.004 0.000 0.261 220 T C 1.510 176.214 174.700 0.008 0.000 0.984 220 T CA 0.672 62.764 62.100 -0.013 0.000 0.911 220 T CB 0.654 69.532 68.868 0.018 0.000 1.127 220 T HN 0.262 nan 8.240 nan 0.000 0.514 221 V N 3.659 123.584 119.914 0.017 0.000 2.469 221 V HA -0.124 3.994 4.120 -0.004 0.000 0.251 221 V C 2.577 178.706 176.094 0.059 0.000 1.064 221 V CA 2.631 64.961 62.300 0.049 0.000 1.066 221 V CB -0.768 31.102 31.823 0.078 0.000 0.667 221 V HN 0.847 nan 8.190 nan 0.000 0.461 222 T N -3.348 111.234 114.554 0.048 0.000 3.107 222 T HA 0.090 4.437 4.350 -0.004 0.000 0.249 222 T C 0.858 175.603 174.700 0.076 0.000 1.096 222 T CA 0.218 62.364 62.100 0.078 0.000 1.012 222 T CB -0.362 68.569 68.868 0.104 0.000 0.977 222 T HN 0.604 nan 8.240 nan 0.000 0.527 223 K N 1.146 121.578 120.400 0.052 0.000 3.278 223 K HA -0.239 4.078 4.320 -0.004 0.000 0.270 223 K C -0.341 176.319 176.600 0.101 0.000 0.955 223 K CA 0.644 56.964 56.287 0.055 0.000 0.723 223 K CB -2.183 30.340 32.500 0.040 0.000 1.382 223 K HN 0.859 nan 8.250 nan 0.000 0.461 224 H N 0.085 119.130 119.070 -0.043 0.000 2.877 224 H HA 0.142 4.695 4.556 -0.004 0.000 0.347 224 H C -1.491 173.803 175.328 -0.058 0.000 1.042 224 H CA -0.986 55.036 56.048 -0.043 0.000 1.276 224 H CB 1.397 31.120 29.762 -0.064 0.000 1.681 224 H HN 0.173 nan 8.280 nan 0.000 0.521 225 D N 5.901 126.415 120.400 0.191 0.000 2.456 225 D HA 0.081 4.719 4.640 -0.004 0.000 0.219 225 D C 0.582 176.911 176.300 0.049 0.000 1.126 225 D CA -0.363 53.702 54.000 0.107 0.000 0.890 225 D CB 0.732 41.651 40.800 0.199 0.000 1.025 225 D HN 0.650 nan 8.370 nan 0.000 0.511 226 M N 3.365 122.814 119.600 -0.252 0.000 2.752 226 M HA 0.049 4.526 4.480 -0.004 0.000 0.214 226 M C 0.383 176.819 176.300 0.227 0.000 1.123 226 M CA -0.125 54.983 55.300 -0.320 0.000 1.017 226 M CB -0.264 31.882 32.600 -0.757 0.000 1.785 226 M HN 0.280 nan 8.290 nan 0.000 0.499 227 F N -0.175 119.862 119.950 0.145 0.000 2.429 227 F HA 0.120 4.644 4.527 -0.005 0.000 0.348 227 F C 0.873 176.697 175.800 0.041 0.000 1.109 227 F CA -0.462 57.606 58.000 0.113 0.000 1.232 227 F CB 0.458 39.512 39.000 0.091 0.000 1.157 227 F HN 0.202 nan 8.300 nan 0.000 0.564 228 C N 4.950 123.630 119.300 -1.033 0.000 4.209 228 C HA -0.120 4.337 4.460 -0.004 0.000 0.305 228 C C -2.311 172.487 174.990 -0.320 0.000 1.339 228 C CA -0.017 58.454 59.018 -0.912 0.000 2.062 228 C CB -2.875 24.106 27.740 -1.266 0.000 1.307 228 C HN 0.734 nan 8.230 nan 0.000 0.706 229 P HA 0.616 nan 4.420 nan 0.000 0.293 229 P C -0.124 177.183 177.300 0.011 0.000 1.305 229 P CA 0.166 63.279 63.100 0.021 0.000 0.874 229 P CB 1.122 32.927 31.700 0.174 0.000 1.288 230 G N -0.060 108.779 108.800 0.065 0.000 2.348 230 G HA2 0.653 4.610 3.960 -0.004 0.000 0.312 230 G HA3 0.653 4.610 3.960 -0.004 0.000 0.312 230 G C -0.674 174.310 174.900 0.139 0.000 1.126 230 G CA -0.713 44.426 45.100 0.065 0.000 0.865 230 G HN 0.365 nan 8.290 nan 0.000 0.474 231 I N 0.858 121.507 120.570 0.133 0.000 2.533 231 I HA 0.501 4.668 4.170 -0.004 0.000 0.290 231 I C -0.403 175.806 176.117 0.153 0.000 1.056 231 I CA -0.596 60.817 61.300 0.188 0.000 1.057 231 I CB 2.454 40.582 38.000 0.215 0.000 1.240 231 I HN 0.343 nan 8.210 nan 0.000 0.423 232 S N 5.933 121.736 115.700 0.172 0.000 2.533 232 S HA 0.456 4.923 4.470 -0.004 0.000 0.271 232 S C -0.784 173.911 174.600 0.158 0.000 1.143 232 S CA -0.656 57.637 58.200 0.155 0.000 0.891 232 S CB 2.301 65.602 63.200 0.167 0.000 1.105 232 S HN 0.663 nan 8.310 nan 0.000 0.468 233 M N 4.030 123.718 119.600 0.147 0.000 2.077 233 M HA 0.282 4.759 4.480 -0.004 0.000 0.348 233 M C -0.622 175.768 176.300 0.149 0.000 1.252 233 M CA -0.476 54.916 55.300 0.152 0.000 1.096 233 M CB -0.006 32.687 32.600 0.156 0.000 1.568 233 M HN 0.788 nan 8.290 nan 0.000 0.456 234 D N 3.554 124.044 120.400 0.150 0.000 2.414 234 D HA 0.226 4.864 4.640 -0.004 0.000 0.251 234 D C 1.173 177.535 176.300 0.103 0.000 1.252 234 D CA -0.271 53.814 54.000 0.142 0.000 0.999 234 D CB 0.319 41.226 40.800 0.179 0.000 1.093 234 D HN 0.650 nan 8.370 nan 0.000 0.515 235 G N -0.838 108.008 108.800 0.076 0.000 2.471 235 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.219 235 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.219 235 G C 1.015 175.912 174.900 -0.004 0.000 1.125 235 G CA 0.163 45.287 45.100 0.040 0.000 0.775 235 G HN 0.453 nan 8.290 nan 0.000 0.548 236 N N 0.298 119.004 118.700 0.010 0.000 2.383 236 N HA 0.219 4.957 4.740 -0.004 0.000 0.192 236 N C 1.517 177.027 175.510 0.001 0.000 1.141 236 N CA 0.762 53.809 53.050 -0.006 0.000 0.851 236 N CB 0.202 38.693 38.487 0.006 0.000 0.976 236 N HN 0.328 nan 8.380 nan 0.000 0.465 237 G N 0.183 108.994 108.800 0.018 0.000 2.147 237 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.244 237 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.244 237 G C -0.264 174.745 174.900 0.182 0.000 1.005 237 G CA -0.132 45.045 45.100 0.128 0.000 0.713 237 G HN 0.397 nan 8.290 nan 0.000 0.515 238 Q N -0.440 119.422 119.800 0.103 0.000 2.342 238 Q HA 0.595 4.932 4.340 -0.004 0.000 0.267 238 Q C 0.139 176.191 176.000 0.087 0.000 1.038 238 Q CA -1.125 54.706 55.803 0.048 0.000 0.832 238 Q CB 1.838 30.593 28.738 0.029 0.000 1.323 238 Q HN 0.223 nan 8.270 nan 0.000 0.448 239 I N 2.839 123.451 120.570 0.070 0.000 2.379 239 I HA 0.100 4.268 4.170 -0.004 0.000 0.290 239 I C -0.090 176.098 176.117 0.117 0.000 1.063 239 I CA -0.268 61.105 61.300 0.122 0.000 1.351 239 I CB 0.481 38.574 38.000 0.155 0.000 1.410 239 I HN 0.344 nan 8.210 nan 0.000 0.505 240 V N 8.032 128.022 119.914 0.128 0.000 2.372 240 V HA 0.177 4.295 4.120 -0.004 0.000 0.261 240 V C 0.372 176.576 176.094 0.185 0.000 1.055 240 V CA -0.494 61.863 62.300 0.096 0.000 0.930 240 V CB 1.267 33.098 31.823 0.013 0.000 1.031 240 V HN 0.419 nan 8.190 nan 0.000 0.479 241 V N 5.178 125.226 119.914 0.224 0.000 2.328 241 V HA 0.463 4.580 4.120 -0.004 0.000 0.278 241 V C 0.429 176.702 176.094 0.298 0.000 1.021 241 V CA -0.368 62.090 62.300 0.264 0.000 0.838 241 V CB 1.679 33.631 31.823 0.214 0.000 0.999 241 V HN 0.974 nan 8.190 nan 0.000 0.447 242 T N 1.693 116.399 114.554 0.254 0.000 2.823 242 T HA 0.769 5.116 4.350 -0.004 0.000 0.279 242 T C 0.623 175.425 174.700 0.170 0.000 0.998 242 T CA 0.177 62.387 62.100 0.183 0.000 0.994 242 T CB 1.571 70.464 68.868 0.043 0.000 0.960 242 T HN 1.511 nan 8.240 nan 0.000 0.448 243 G N 2.249 111.116 108.800 0.112 0.000 2.582 243 G HA2 0.228 4.185 3.960 -0.004 0.000 0.288 243 G HA3 0.228 4.185 3.960 -0.004 0.000 0.288 243 G C 0.583 175.680 174.900 0.328 0.000 1.247 243 G CA 0.720 45.893 45.100 0.121 0.000 0.972 243 G HN 2.569 nan 8.290 nan 0.000 0.557 244 G N -1.337 107.601 108.800 0.230 0.000 2.578 244 G HA2 -0.091 3.867 3.960 -0.004 0.000 0.232 244 G HA3 -0.091 3.867 3.960 -0.004 0.000 0.232 244 G C 0.860 176.032 174.900 0.454 0.000 1.176 244 G CA 0.767 46.042 45.100 0.291 0.000 0.968 244 G HN 1.685 nan 8.290 nan 0.000 0.583 245 N N 1.640 120.653 118.700 0.522 0.000 2.149 245 N HA -0.009 4.728 4.740 -0.004 0.000 0.188 245 N C 0.419 176.091 175.510 0.270 0.000 1.019 245 N CA 1.680 55.017 53.050 0.478 0.000 0.857 245 N CB -0.087 38.685 38.487 0.474 0.000 0.997 245 N HN 0.495 nan 8.380 nan 0.000 0.426 246 D N -0.152 120.408 120.400 0.266 0.000 2.505 246 D HA 0.260 4.897 4.640 -0.004 0.000 0.242 246 D C 0.573 176.905 176.300 0.053 0.000 1.136 246 D CA -0.166 53.915 54.000 0.135 0.000 0.954 246 D CB 0.995 41.879 40.800 0.140 0.000 1.002 246 D HN 0.061 nan 8.370 nan 0.000 0.512 247 A N 2.439 125.289 122.820 0.049 0.000 1.997 247 A HA -0.239 4.078 4.320 -0.004 0.000 0.221 247 A C 1.954 179.488 177.584 -0.084 0.000 1.172 247 A CA 1.484 53.525 52.037 0.006 0.000 0.645 247 A CB -0.008 18.995 19.000 0.006 0.000 0.813 247 A HN 0.294 nan 8.150 nan 0.000 0.454 248 K N -0.934 119.398 120.400 -0.115 0.000 2.361 248 K HA 0.048 4.366 4.320 -0.004 0.000 0.194 248 K C -0.082 176.383 176.600 -0.225 0.000 1.032 248 K CA -0.021 56.172 56.287 -0.157 0.000 1.048 248 K CB 0.204 32.645 32.500 -0.098 0.000 0.842 248 K HN 0.226 nan 8.250 nan 0.000 0.526 249 K N 0.948 121.152 120.400 -0.328 0.000 2.126 249 K HA 0.166 4.483 4.320 -0.004 0.000 0.257 249 K C -0.230 176.107 176.600 -0.439 0.000 1.007 249 K CA 0.066 56.083 56.287 -0.450 0.000 0.928 249 K CB 1.486 33.577 32.500 -0.681 0.000 1.013 249 K HN -0.180 nan 8.250 nan 0.000 0.473 250 T N 0.634 115.092 114.554 -0.160 0.000 2.881 250 T HA 0.339 4.686 4.350 -0.004 0.000 0.290 250 T C -0.694 174.120 174.700 0.190 0.000 1.000 250 T CA -0.634 61.517 62.100 0.084 0.000 0.978 250 T CB 1.311 70.308 68.868 0.215 0.000 0.997 250 T HN 0.348 nan 8.240 nan 0.000 0.443 251 S N 2.635 118.527 115.700 0.320 0.000 2.500 251 S HA 0.660 5.127 4.470 -0.004 0.000 0.301 251 S C -0.747 174.048 174.600 0.325 0.000 1.092 251 S CA -0.789 57.621 58.200 0.350 0.000 1.030 251 S CB 0.825 64.237 63.200 0.353 0.000 1.031 251 S HN 0.487 nan 8.310 nan 0.000 0.483 252 L N 3.327 124.725 121.223 0.291 0.000 2.305 252 L HA 0.483 4.820 4.340 -0.004 0.000 0.284 252 L C -1.164 175.712 176.870 0.010 0.000 1.013 252 L CA -0.833 54.092 54.840 0.141 0.000 0.819 252 L CB 0.898 43.009 42.059 0.086 0.000 1.227 252 L HN 0.664 nan 8.230 nan 0.000 0.417 253 Y N 2.516 122.592 120.300 -0.373 0.000 2.335 253 Y HA 0.325 4.871 4.550 -0.006 0.000 0.339 253 Y C -0.497 175.155 175.900 -0.412 0.000 0.987 253 Y CA -0.776 56.829 58.100 -0.824 0.000 1.140 253 Y CB 1.377 38.979 38.460 -1.429 0.000 1.173 253 Y HN 0.551 nan 8.280 nan 0.000 0.486 254 D N 3.404 123.151 120.400 -1.088 0.000 2.329 254 D HA 0.179 4.817 4.640 -0.004 0.000 0.232 254 D C 0.675 176.354 176.300 -1.034 0.000 1.088 254 D CA 0.014 53.573 54.000 -0.735 0.000 0.835 254 D CB 1.684 42.248 40.800 -0.392 0.000 1.078 254 D HN 0.576 nan 8.370 nan 0.000 0.495 255 S N 2.134 117.426 115.700 -0.679 0.000 2.368 255 S HA -0.164 4.303 4.470 -0.004 0.000 0.224 255 S C 1.944 176.371 174.600 -0.288 0.000 1.029 255 S CA 1.646 59.579 58.200 -0.445 0.000 0.988 255 S CB -0.188 62.818 63.200 -0.324 0.000 0.838 255 S HN 0.612 nan 8.310 nan 0.000 0.462 256 S N 1.097 116.671 115.700 -0.210 0.000 2.399 256 S HA -0.078 4.389 4.470 -0.004 0.000 0.231 256 S C 1.833 176.362 174.600 -0.118 0.000 1.022 256 S CA 1.406 59.533 58.200 -0.122 0.000 0.983 256 S CB -0.579 62.592 63.200 -0.049 0.000 0.803 256 S HN 0.676 nan 8.310 nan 0.000 0.480 257 S N 0.086 115.687 115.700 -0.164 0.000 2.523 257 S HA 0.210 4.678 4.470 -0.004 0.000 0.217 257 S C 0.277 174.801 174.600 -0.126 0.000 0.996 257 S CA 0.375 58.501 58.200 -0.123 0.000 0.921 257 S CB -0.319 62.816 63.200 -0.108 0.000 0.829 257 S HN 0.352 nan 8.310 nan 0.000 0.495 258 D N 1.804 122.082 120.400 -0.203 0.000 2.689 258 D HA -0.157 4.481 4.640 -0.004 0.000 0.237 258 D C -0.187 176.091 176.300 -0.036 0.000 1.148 258 D CA 1.020 54.964 54.000 -0.094 0.000 0.656 258 D CB -1.436 39.387 40.800 0.039 0.000 1.050 258 D HN 0.726 nan 8.370 nan 0.000 0.426 259 S N -1.331 114.228 115.700 -0.234 0.000 2.618 259 S HA 0.775 5.243 4.470 -0.004 0.000 0.277 259 S C -0.813 173.693 174.600 -0.157 0.000 1.138 259 S CA -1.123 57.045 58.200 -0.054 0.000 0.844 259 S CB 1.109 64.304 63.200 -0.009 0.000 1.127 259 S HN 0.203 nan 8.310 nan 0.000 0.474 260 W N 1.655 122.986 121.300 0.052 0.000 2.429 260 W HA 0.674 5.332 4.660 -0.004 0.000 0.314 260 W C -0.243 176.292 176.519 0.027 0.000 1.062 260 W CA -0.746 56.634 57.345 0.058 0.000 1.211 260 W CB 1.287 30.789 29.460 0.070 0.000 1.305 260 W HN 0.767 nan 8.180 nan 0.000 0.476 261 I N 1.672 122.378 120.570 0.227 0.000 2.530 261 I HA 0.659 4.826 4.170 -0.004 0.000 0.297 261 I C -2.595 173.624 176.117 0.171 0.000 1.011 261 I CA -3.167 58.225 61.300 0.154 0.000 1.107 261 I CB 1.675 39.722 38.000 0.080 0.000 1.285 261 I HN 0.051 nan 8.210 nan 0.000 0.436 262 P HA 0.191 nan 4.420 nan 0.000 0.268 262 P C -0.053 177.328 177.300 0.135 0.000 1.204 262 P CA 0.163 63.343 63.100 0.134 0.000 0.768 262 P CB 0.777 32.539 31.700 0.104 0.000 0.842 263 G N 3.372 112.258 108.800 0.143 0.000 2.537 263 G HA2 0.622 4.580 3.960 -0.004 0.000 0.323 263 G HA3 0.622 4.580 3.960 -0.004 0.000 0.323 263 G C -2.712 172.296 174.900 0.179 0.000 1.207 263 G CA -1.610 43.584 45.100 0.157 0.000 0.976 263 G HN 0.300 nan 8.290 nan 0.000 0.487 264 P HA 0.223 nan 4.420 nan 0.000 0.277 264 P C -0.892 176.588 177.300 0.299 0.000 1.240 264 P CA -0.427 62.836 63.100 0.273 0.000 0.798 264 P CB 1.254 33.155 31.700 0.336 0.000 0.979 265 D N 1.511 122.008 120.400 0.161 0.000 2.423 265 D HA 0.117 4.754 4.640 -0.004 0.000 0.238 265 D C 0.818 177.096 176.300 -0.035 0.000 1.142 265 D CA 0.453 54.472 54.000 0.031 0.000 0.884 265 D CB 0.200 40.998 40.800 -0.002 0.000 1.199 265 D HN 0.269 nan 8.370 nan 0.000 0.438 266 M N 1.775 121.162 119.600 -0.355 0.000 2.226 266 M HA -0.010 4.467 4.480 -0.004 0.000 0.324 266 M C 1.490 177.633 176.300 -0.262 0.000 1.112 266 M CA -0.323 54.560 55.300 -0.695 0.000 1.176 266 M CB 0.714 32.790 32.600 -0.873 0.000 1.430 266 M HN 0.244 nan 8.290 nan 0.000 0.462 267 Q N 0.734 120.434 119.800 -0.166 0.000 2.119 267 Q HA 0.040 4.378 4.340 -0.004 0.000 0.201 267 Q C -0.022 175.954 176.000 -0.040 0.000 0.972 267 Q CA 1.013 56.800 55.803 -0.027 0.000 0.847 267 Q CB -0.048 28.720 28.738 0.050 0.000 0.903 267 Q HN 0.528 nan 8.270 nan 0.000 0.433 268 V N 0.671 120.527 119.914 -0.098 0.000 2.540 268 V HA 0.531 4.649 4.120 -0.004 0.000 0.302 268 V C -0.424 175.601 176.094 -0.114 0.000 1.035 268 V CA -1.141 61.138 62.300 -0.035 0.000 0.873 268 V CB 1.587 33.405 31.823 -0.008 0.000 0.992 268 V HN 0.115 nan 8.190 nan 0.000 0.428 269 A N 5.811 128.608 122.820 -0.037 0.000 2.451 269 A HA 0.676 4.993 4.320 -0.004 0.000 0.266 269 A C 0.265 177.778 177.584 -0.118 0.000 1.119 269 A CA -0.019 51.976 52.037 -0.071 0.000 0.786 269 A CB 0.013 19.012 19.000 -0.002 0.000 1.061 269 A HN 0.891 nan 8.150 nan 0.000 0.503 270 R N 1.080 121.500 120.500 -0.134 0.000 2.867 270 R HA 0.771 5.108 4.340 -0.004 0.000 0.268 270 R C -0.217 176.063 176.300 -0.033 0.000 1.014 270 R CA -0.474 55.547 56.100 -0.133 0.000 0.946 270 R CB 2.586 32.777 30.300 -0.183 0.000 1.208 270 R HN 0.887 nan 8.270 nan 0.000 0.477 271 G N 0.371 109.170 108.800 -0.003 0.000 2.760 271 G HA2 0.432 4.389 3.960 -0.004 0.000 0.296 271 G HA3 0.432 4.389 3.960 -0.004 0.000 0.296 271 G C -1.182 173.760 174.900 0.071 0.000 1.427 271 G CA -0.321 44.852 45.100 0.122 0.000 1.109 271 G HN 0.559 nan 8.290 nan 0.000 0.553 272 Y N -0.414 119.737 120.300 -0.248 0.000 4.729 272 Y HA -0.213 4.335 4.550 -0.004 0.000 0.239 272 Y C 1.437 177.174 175.900 -0.271 0.000 1.043 272 Y CA 0.421 58.305 58.100 -0.360 0.000 2.045 272 Y CB -2.028 36.125 38.460 -0.511 0.000 1.599 272 Y HN 0.872 nan 8.280 nan 0.000 0.655 273 Q N 0.217 119.990 119.800 -0.045 0.000 2.317 273 Q HA 0.604 4.941 4.340 -0.004 0.000 0.229 273 Q C -0.075 175.904 176.000 -0.035 0.000 0.984 273 Q CA -0.163 55.590 55.803 -0.083 0.000 0.911 273 Q CB 1.802 30.465 28.738 -0.124 0.000 1.217 273 Q HN 0.265 nan 8.270 nan 0.000 0.501 274 S N 0.871 116.546 115.700 -0.042 0.000 2.472 274 S HA 0.530 4.997 4.470 -0.004 0.000 0.303 274 S C -0.743 173.849 174.600 -0.014 0.000 1.099 274 S CA -0.603 57.592 58.200 -0.008 0.000 1.077 274 S CB 1.300 64.501 63.200 0.003 0.000 1.031 274 S HN 0.724 nan 8.310 nan 0.000 0.487 275 S N 1.380 117.101 115.700 0.036 0.000 2.568 275 S HA 0.917 5.384 4.470 -0.004 0.000 0.302 275 S C -0.739 173.936 174.600 0.125 0.000 1.082 275 S CA -0.911 57.345 58.200 0.092 0.000 1.009 275 S CB 1.775 65.064 63.200 0.149 0.000 1.069 275 S HN 0.919 nan 8.310 nan 0.000 0.500 276 A N 1.691 124.633 122.820 0.204 0.000 2.422 276 A HA 0.724 5.041 4.320 -0.004 0.000 0.302 276 A C -0.105 177.626 177.584 0.244 0.000 1.041 276 A CA -0.798 51.360 52.037 0.202 0.000 0.708 276 A CB 1.168 20.295 19.000 0.211 0.000 1.257 276 A HN 0.786 nan 8.150 nan 0.000 0.414 277 T N 3.370 118.046 114.554 0.204 0.000 2.901 277 T HA 0.419 4.766 4.350 -0.004 0.000 0.301 277 T C 0.538 175.369 174.700 0.217 0.000 1.012 277 T CA 0.521 62.742 62.100 0.201 0.000 1.135 277 T CB 0.122 69.095 68.868 0.174 0.000 0.936 277 T HN 0.582 nan 8.240 nan 0.000 0.539 278 M N 1.414 121.134 119.600 0.199 0.000 2.527 278 M HA 0.260 4.737 4.480 -0.004 0.000 0.283 278 M C 2.016 178.410 176.300 0.156 0.000 1.188 278 M CA -0.677 54.734 55.300 0.185 0.000 0.941 278 M CB 0.871 33.569 32.600 0.162 0.000 1.498 278 M HN 0.718 nan 8.290 nan 0.000 0.510 279 S N -0.337 115.441 115.700 0.132 0.000 2.419 279 S HA -0.158 4.309 4.470 -0.004 0.000 0.233 279 S C 0.920 175.560 174.600 0.068 0.000 1.016 279 S CA 1.585 59.839 58.200 0.090 0.000 0.974 279 S CB -0.677 62.551 63.200 0.046 0.000 0.786 279 S HN 0.826 nan 8.310 nan 0.000 0.492 280 D N -0.092 120.347 120.400 0.064 0.000 2.340 280 D HA 0.321 4.958 4.640 -0.004 0.000 0.217 280 D C 1.371 177.693 176.300 0.037 0.000 1.081 280 D CA 0.469 54.492 54.000 0.040 0.000 0.842 280 D CB -0.460 40.357 40.800 0.028 0.000 0.934 280 D HN 0.564 nan 8.370 nan 0.000 0.511 281 G N 0.223 109.062 108.800 0.065 0.000 2.199 281 G HA2 -0.316 3.641 3.960 -0.004 0.000 0.254 281 G HA3 -0.316 3.641 3.960 -0.004 0.000 0.254 281 G C 0.470 175.405 174.900 0.058 0.000 0.982 281 G CA -0.046 45.092 45.100 0.064 0.000 0.632 281 G HN 0.442 nan 8.290 nan 0.000 0.529 282 R N -0.586 119.944 120.500 0.050 0.000 2.649 282 R HA 0.575 4.912 4.340 -0.004 0.000 0.270 282 R C -0.169 176.206 176.300 0.126 0.000 1.105 282 R CA -0.150 55.971 56.100 0.035 0.000 1.193 282 R CB 1.008 31.316 30.300 0.013 0.000 1.120 282 R HN 0.107 nan 8.270 nan 0.000 0.561 283 V N 2.162 122.160 119.914 0.141 0.000 2.487 283 V HA 0.282 4.399 4.120 -0.004 0.000 0.298 283 V C -0.884 175.393 176.094 0.305 0.000 1.028 283 V CA -0.642 61.791 62.300 0.221 0.000 0.860 283 V CB 1.322 33.272 31.823 0.212 0.000 0.991 283 V HN 0.491 nan 8.190 nan 0.000 0.427 284 F N 3.808 123.875 119.950 0.196 0.000 2.443 284 F HA 0.774 5.298 4.527 -0.005 0.000 0.335 284 F C 0.122 176.045 175.800 0.206 0.000 1.104 284 F CA 0.177 58.304 58.000 0.212 0.000 1.013 284 F CB 1.932 41.024 39.000 0.153 0.000 1.136 284 F HN 0.509 nan 8.300 nan 0.000 0.470 285 T N 6.892 121.109 114.554 -0.561 0.000 2.900 285 T HA 0.708 5.056 4.350 -0.004 0.000 0.303 285 T C -1.715 172.464 174.700 -0.870 0.000 1.142 285 T CA -0.549 61.249 62.100 -0.502 0.000 1.007 285 T CB 1.169 69.948 68.868 -0.149 0.000 1.156 285 T HN 0.728 nan 8.240 nan 0.000 0.490 286 I N 1.615 121.840 120.570 -0.575 0.000 2.908 286 I HA 0.608 4.775 4.170 -0.004 0.000 0.300 286 I C 0.345 176.287 176.117 -0.291 0.000 1.385 286 I CA 0.537 61.552 61.300 -0.474 0.000 1.004 286 I CB 1.658 39.326 38.000 -0.553 0.000 1.309 286 I HN 1.053 nan 8.210 nan 0.000 0.449 287 G N 3.605 112.263 108.800 -0.237 0.000 2.562 287 G HA2 0.264 4.221 3.960 -0.004 0.000 0.250 287 G HA3 0.264 4.221 3.960 -0.004 0.000 0.250 287 G C 0.506 175.277 174.900 -0.214 0.000 1.269 287 G CA -0.066 44.913 45.100 -0.201 0.000 0.919 287 G HN 2.401 nan 8.290 nan 0.000 0.574 288 G N -3.080 105.604 108.800 -0.193 0.000 2.871 288 G HA2 0.214 4.171 3.960 -0.004 0.000 0.262 288 G HA3 0.214 4.171 3.960 -0.004 0.000 0.262 288 G C 0.428 175.209 174.900 -0.199 0.000 1.126 288 G CA 0.709 45.706 45.100 -0.172 0.000 1.130 288 G HN 1.854 nan 8.290 nan 0.000 0.549 289 S N -0.714 114.860 115.700 -0.210 0.000 2.614 289 S HA 0.162 4.629 4.470 -0.004 0.000 0.230 289 S C 1.432 175.941 174.600 -0.153 0.000 0.952 289 S CA 0.492 58.570 58.200 -0.204 0.000 0.949 289 S CB -0.101 62.998 63.200 -0.168 0.000 0.786 289 S HN 0.706 nan 8.310 nan 0.000 0.478 290 W N 3.395 124.427 121.300 -0.447 0.000 2.409 290 W HA 0.036 4.694 4.660 -0.003 0.000 0.299 290 W C 0.807 177.221 176.519 -0.176 0.000 1.203 290 W CA 1.173 58.173 57.345 -0.574 0.000 1.298 290 W CB 0.019 28.821 29.460 -1.097 0.000 1.127 290 W HN 0.278 nan 8.180 nan 0.000 0.528 291 S N -2.123 113.532 115.700 -0.075 0.000 2.627 291 S HA 0.619 5.087 4.470 -0.004 0.000 0.283 291 S C 0.409 174.965 174.600 -0.074 0.000 1.127 291 S CA -0.287 57.828 58.200 -0.140 0.000 0.863 291 S CB 1.397 64.586 63.200 -0.018 0.000 1.121 291 S HN 0.908 nan 8.310 nan 0.000 0.479 292 G N -0.379 108.388 108.800 -0.055 0.000 2.176 292 G HA2 0.356 4.314 3.960 -0.004 0.000 0.253 292 G HA3 0.356 4.314 3.960 -0.004 0.000 0.253 292 G C 1.103 176.048 174.900 0.075 0.000 0.979 292 G CA 0.268 45.366 45.100 -0.004 0.000 0.641 292 G HN 2.638 nan 8.290 nan 0.000 0.530 293 G N -2.690 106.127 108.800 0.028 0.000 2.459 293 G HA2 0.375 4.333 3.960 -0.004 0.000 0.685 293 G HA3 0.375 4.333 3.960 -0.004 0.000 0.685 293 G C -0.711 174.174 174.900 -0.025 0.000 1.303 293 G CA -0.002 45.185 45.100 0.145 0.000 0.907 293 G HN 1.468 nan 8.290 nan 0.000 0.632 294 V N 2.116 122.092 119.914 0.104 0.000 2.266 294 V HA 0.744 4.861 4.120 -0.004 0.000 0.271 294 V C -0.003 176.182 176.094 0.152 0.000 1.032 294 V CA 0.145 62.458 62.300 0.021 0.000 0.806 294 V CB -0.642 31.214 31.823 0.055 0.000 1.052 294 V HN 1.262 nan 8.190 nan 0.000 0.449 295 F N 0.317 120.262 119.950 -0.010 0.000 2.745 295 F HA 0.628 5.153 4.527 -0.004 0.000 0.316 295 F C -0.196 175.597 175.800 -0.011 0.000 1.155 295 F CA -1.532 56.462 58.000 -0.010 0.000 0.937 295 F CB 1.195 40.186 39.000 -0.015 0.000 1.361 295 F HN 0.092 nan 8.300 nan 0.000 0.472 296 E N 1.695 122.021 120.200 0.209 0.000 2.159 296 E HA 0.115 4.462 4.350 -0.004 0.000 0.272 296 E C -1.009 175.641 176.600 0.083 0.000 1.138 296 E CA -0.037 56.417 56.400 0.091 0.000 0.915 296 E CB 0.454 30.220 29.700 0.110 0.000 1.028 296 E HN 0.397 nan 8.360 nan 0.000 0.423 297 K N 3.615 123.952 120.400 -0.106 0.000 2.300 297 K HA 0.201 4.518 4.320 -0.004 0.000 0.264 297 K C -0.350 176.203 176.600 -0.078 0.000 1.083 297 K CA -0.291 55.917 56.287 -0.132 0.000 0.958 297 K CB 0.616 32.924 32.500 -0.319 0.000 1.318 297 K HN 0.388 nan 8.250 nan 0.000 0.448 298 N N 0.257 118.958 118.700 0.001 0.000 2.327 298 N HA 0.126 4.864 4.740 -0.004 0.000 0.257 298 N C 0.581 176.063 175.510 -0.046 0.000 1.281 298 N CA -0.469 52.595 53.050 0.022 0.000 0.942 298 N CB 0.405 38.951 38.487 0.098 0.000 1.199 298 N HN 0.477 nan 8.380 nan 0.000 0.532 299 G N -0.681 108.113 108.800 -0.010 0.000 2.614 299 G HA2 0.288 4.246 3.960 -0.004 0.000 0.239 299 G HA3 0.288 4.246 3.960 -0.004 0.000 0.239 299 G C -0.653 174.228 174.900 -0.032 0.000 1.240 299 G CA -0.126 44.882 45.100 -0.154 0.000 0.842 299 G HN 0.716 nan 8.290 nan 0.000 0.584 300 E N -1.562 118.570 120.200 -0.113 0.000 2.392 300 E HA 0.529 4.877 4.350 -0.004 0.000 0.279 300 E C -1.913 174.910 176.600 0.370 0.000 0.964 300 E CA -1.057 55.447 56.400 0.174 0.000 0.777 300 E CB 2.230 32.029 29.700 0.166 0.000 1.249 300 E HN 0.525 nan 8.360 nan 0.000 0.449 301 V N 2.693 122.883 119.914 0.461 0.000 2.604 301 V HA 0.449 4.566 4.120 -0.004 0.000 0.305 301 V C -1.787 174.351 176.094 0.072 0.000 1.043 301 V CA -0.629 61.878 62.300 0.346 0.000 0.888 301 V CB 1.506 33.507 31.823 0.296 0.000 0.995 301 V HN 0.741 nan 8.190 nan 0.000 0.429 302 Y N 4.985 124.957 120.300 -0.546 0.000 2.326 302 Y HA 0.638 5.185 4.550 -0.005 0.000 0.337 302 Y C 0.282 175.924 175.900 -0.429 0.000 1.023 302 Y CA -0.096 57.405 58.100 -0.998 0.000 1.143 302 Y CB 1.745 39.230 38.460 -1.624 0.000 1.183 302 Y HN 0.653 nan 8.280 nan 0.000 0.485 303 S N 8.150 123.308 115.700 -0.903 0.000 2.448 303 S HA 0.388 4.855 4.470 -0.004 0.000 0.320 303 S C -2.049 171.948 174.600 -1.005 0.000 1.071 303 S CA -1.754 56.041 58.200 -0.675 0.000 1.113 303 S CB 1.093 64.087 63.200 -0.343 0.000 0.972 303 S HN 0.636 nan 8.310 nan 0.000 0.465 304 P HA -0.093 nan 4.420 nan 0.000 0.218 304 P C 1.545 178.685 177.300 -0.266 0.000 1.149 304 P CA 0.931 63.734 63.100 -0.494 0.000 0.817 304 P CB 0.080 31.669 31.700 -0.184 0.000 0.785 305 S N -0.718 114.851 115.700 -0.218 0.000 2.371 305 S HA -0.109 4.359 4.470 -0.004 0.000 0.224 305 S C 2.029 176.559 174.600 -0.117 0.000 1.029 305 S CA 1.529 59.652 58.200 -0.129 0.000 0.978 305 S CB -1.478 61.663 63.200 -0.099 0.000 0.833 305 S HN 0.233 nan 8.310 nan 0.000 0.466 306 S N 0.873 116.481 115.700 -0.155 0.000 2.524 306 S HA 0.267 4.735 4.470 -0.004 0.000 0.216 306 S C 0.449 174.989 174.600 -0.099 0.000 0.987 306 S CA -0.112 58.024 58.200 -0.106 0.000 0.909 306 S CB -0.648 62.497 63.200 -0.092 0.000 0.781 306 S HN 0.522 nan 8.310 nan 0.000 0.521 307 K N 1.840 122.131 120.400 -0.182 0.000 3.150 307 K HA -0.132 4.186 4.320 -0.004 0.000 0.267 307 K C -0.330 176.277 176.600 0.012 0.000 1.028 307 K CA 0.888 57.127 56.287 -0.079 0.000 0.753 307 K CB -2.603 29.927 32.500 0.049 0.000 1.288 307 K HN 0.794 nan 8.250 nan 0.000 0.473 308 T N -3.432 111.056 114.554 -0.109 0.000 2.906 308 T HA 0.661 5.009 4.350 -0.004 0.000 0.295 308 T C -0.870 173.844 174.700 0.023 0.000 1.075 308 T CA -0.922 61.199 62.100 0.035 0.000 1.005 308 T CB 1.392 70.277 68.868 0.028 0.000 1.136 308 T HN 0.312 nan 8.240 nan 0.000 0.498 309 W N 0.931 122.333 121.300 0.169 0.000 2.529 309 W HA 0.582 5.239 4.660 -0.005 0.000 0.321 309 W C -0.422 176.161 176.519 0.107 0.000 1.047 309 W CA -0.447 57.002 57.345 0.174 0.000 1.216 309 W CB 2.422 31.974 29.460 0.153 0.000 1.357 309 W HN 0.719 nan 8.180 nan 0.000 0.489 310 T N 2.222 116.994 114.554 0.364 0.000 2.841 310 T HA 0.219 4.567 4.350 -0.004 0.000 0.285 310 T C -0.319 174.530 174.700 0.248 0.000 0.991 310 T CA -0.671 61.574 62.100 0.241 0.000 0.966 310 T CB 1.610 70.574 68.868 0.160 0.000 0.962 310 T HN 0.254 nan 8.240 nan 0.000 0.438 311 S N 2.636 118.450 115.700 0.189 0.000 2.549 311 S HA 0.346 4.814 4.470 -0.004 0.000 0.283 311 S C -0.075 174.626 174.600 0.168 0.000 1.320 311 S CA -0.498 57.798 58.200 0.160 0.000 1.058 311 S CB -0.192 63.078 63.200 0.118 0.000 0.882 311 S HN 0.553 nan 8.310 nan 0.000 0.498 312 L N 7.744 129.077 121.223 0.184 0.000 2.502 312 L HA 0.340 4.678 4.340 -0.004 0.000 0.247 312 L C -1.516 175.471 176.870 0.194 0.000 1.180 312 L CA -1.515 53.455 54.840 0.216 0.000 0.956 312 L CB 1.413 43.663 42.059 0.319 0.000 1.282 312 L HN 0.561 nan 8.230 nan 0.000 0.470 313 P HA -0.109 nan 4.420 nan 0.000 0.225 313 P C 0.507 177.897 177.300 0.150 0.000 1.148 313 P CA 1.074 64.255 63.100 0.136 0.000 0.779 313 P CB 0.339 32.104 31.700 0.107 0.000 0.780 314 N N -0.063 118.737 118.700 0.167 0.000 2.336 314 N HA 0.087 4.824 4.740 -0.004 0.000 0.189 314 N C 0.661 176.310 175.510 0.233 0.000 1.113 314 N CA 0.142 53.294 53.050 0.170 0.000 0.858 314 N CB -0.014 38.556 38.487 0.138 0.000 0.970 314 N HN 0.093 nan 8.380 nan 0.000 0.471 315 A N 1.594 124.597 122.820 0.305 0.000 3.015 315 A HA 0.150 4.468 4.320 -0.004 0.000 0.293 315 A C 0.204 178.057 177.584 0.448 0.000 1.572 315 A CA -0.450 51.872 52.037 0.475 0.000 1.274 315 A CB -0.082 19.278 19.000 0.600 0.000 1.156 315 A HN -0.159 nan 8.150 nan 0.000 0.562 316 K N 0.980 121.600 120.400 0.367 0.000 2.451 316 K HA 0.022 4.339 4.320 -0.004 0.000 0.280 316 K C 1.135 177.934 176.600 0.331 0.000 1.020 316 K CA -0.058 56.394 56.287 0.274 0.000 1.008 316 K CB 1.538 34.147 32.500 0.181 0.000 0.917 316 K HN 0.301 nan 8.250 nan 0.000 0.478 317 V N 3.647 123.674 119.914 0.188 0.000 2.871 317 V HA -0.174 3.943 4.120 -0.004 0.000 0.256 317 V C 2.099 178.260 176.094 0.111 0.000 1.082 317 V CA 1.271 63.648 62.300 0.128 0.000 1.105 317 V CB -0.382 31.451 31.823 0.016 0.000 0.713 317 V HN 0.745 nan 8.190 nan 0.000 0.473 318 N N 1.311 120.069 118.700 0.097 0.000 2.060 318 N HA -0.140 4.597 4.740 -0.004 0.000 0.195 318 N C -0.499 175.041 175.510 0.049 0.000 1.028 318 N CA 2.309 55.396 53.050 0.063 0.000 0.861 318 N CB -0.998 37.524 38.487 0.058 0.000 1.029 318 N HN 0.448 nan 8.380 nan 0.000 0.428 319 P HA -0.074 nan 4.420 nan 0.000 0.237 319 P C 1.243 178.543 177.300 0.000 0.000 1.178 319 P CA 0.932 64.044 63.100 0.019 0.000 0.766 319 P CB -0.243 31.455 31.700 -0.003 0.000 0.876 320 M N -2.914 116.711 119.600 0.042 0.000 2.371 320 M HA 0.236 4.714 4.480 -0.004 0.000 0.246 320 M C 0.330 176.595 176.300 -0.058 0.000 1.103 320 M CA 0.155 55.451 55.300 -0.007 0.000 1.010 320 M CB -0.294 32.349 32.600 0.072 0.000 1.457 320 M HN -0.315 nan 8.290 nan 0.000 0.486 321 L N 3.087 124.289 121.223 -0.035 0.000 2.455 321 L HA 0.222 4.560 4.340 -0.004 0.000 0.272 321 L C 0.924 177.756 176.870 -0.063 0.000 1.174 321 L CA -0.336 54.476 54.840 -0.047 0.000 0.869 321 L CB 0.574 42.620 42.059 -0.022 0.000 1.130 321 L HN 0.402 nan 8.230 nan 0.000 0.474 322 T N -0.244 114.268 114.554 -0.071 0.000 2.788 322 T HA 0.407 4.755 4.350 -0.004 0.000 0.280 322 T C 0.637 175.316 174.700 -0.035 0.000 0.984 322 T CA -0.359 61.699 62.100 -0.070 0.000 0.972 322 T CB 1.381 70.206 68.868 -0.072 0.000 1.039 322 T HN 0.647 nan 8.240 nan 0.000 0.530 323 A N 0.542 123.345 122.820 -0.028 0.000 2.797 323 A HA 0.230 4.547 4.320 -0.004 0.000 0.287 323 A C 0.611 178.198 177.584 0.004 0.000 1.369 323 A CA -0.527 51.503 52.037 -0.011 0.000 0.968 323 A CB -0.940 18.053 19.000 -0.013 0.000 1.069 323 A HN 0.899 nan 8.150 nan 0.000 0.571 324 D N 0.760 121.168 120.400 0.014 0.000 2.493 324 D HA -0.014 4.623 4.640 -0.004 0.000 0.240 324 D C 0.797 177.123 176.300 0.044 0.000 1.142 324 D CA 0.473 54.497 54.000 0.040 0.000 0.872 324 D CB 0.729 41.568 40.800 0.065 0.000 1.173 324 D HN 0.351 nan 8.370 nan 0.000 0.467 325 K N 2.240 122.669 120.400 0.048 0.000 2.209 325 K HA -0.168 4.150 4.320 -0.004 0.000 0.204 325 K C 1.604 178.235 176.600 0.052 0.000 1.048 325 K CA 1.010 57.323 56.287 0.043 0.000 0.940 325 K CB 0.151 32.675 32.500 0.041 0.000 0.729 325 K HN 0.531 nan 8.250 nan 0.000 0.451 326 Q N -0.041 119.806 119.800 0.077 0.000 2.403 326 Q HA 0.077 4.414 4.340 -0.004 0.000 0.203 326 Q C 0.751 176.806 176.000 0.093 0.000 0.932 326 Q CA 0.235 56.094 55.803 0.093 0.000 0.945 326 Q CB 0.561 29.392 28.738 0.155 0.000 1.045 326 Q HN 0.404 nan 8.270 nan 0.000 0.511 327 G N 1.150 109.992 108.800 0.070 0.000 2.553 327 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.242 327 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.242 327 G C 0.215 175.151 174.900 0.061 0.000 1.277 327 G CA -0.145 44.989 45.100 0.056 0.000 0.910 327 G HN 0.222 nan 8.290 nan 0.000 0.576 328 L N -0.348 120.905 121.223 0.050 0.000 2.187 328 L HA 0.019 4.357 4.340 -0.004 0.000 0.213 328 L C 2.479 179.370 176.870 0.034 0.000 1.100 328 L CA 2.913 57.770 54.840 0.028 0.000 0.765 328 L CB -1.033 41.039 42.059 0.021 0.000 0.904 328 L HN 0.725 nan 8.230 nan 0.000 0.437 329 Y N 0.037 120.298 120.300 -0.064 0.000 2.193 329 Y HA -0.258 4.290 4.550 -0.004 0.000 0.285 329 Y C 2.256 178.108 175.900 -0.080 0.000 1.166 329 Y CA 1.849 59.896 58.100 -0.088 0.000 1.181 329 Y CB 0.020 38.428 38.460 -0.087 0.000 0.976 329 Y HN 0.147 nan 8.280 nan 0.000 0.520 330 R N -1.037 119.414 120.500 -0.081 0.000 2.221 330 R HA 0.090 4.428 4.340 -0.004 0.000 0.195 330 R C 2.466 178.749 176.300 -0.028 0.000 0.956 330 R CA 0.963 56.992 56.100 -0.119 0.000 1.064 330 R CB -1.109 29.205 30.300 0.023 0.000 1.049 330 R HN 0.434 nan 8.270 nan 0.000 0.534 331 S N 2.119 117.811 115.700 -0.013 0.000 2.440 331 S HA -0.151 4.317 4.470 -0.004 0.000 0.238 331 S C 1.131 175.693 174.600 -0.063 0.000 1.010 331 S CA 1.671 59.857 58.200 -0.025 0.000 0.972 331 S CB -0.245 62.946 63.200 -0.014 0.000 0.774 331 S HN 0.350 nan 8.310 nan 0.000 0.501 332 D N 0.218 120.564 120.400 -0.090 0.000 2.363 332 D HA 0.126 4.763 4.640 -0.004 0.000 0.214 332 D C -0.086 176.126 176.300 -0.147 0.000 1.093 332 D CA -0.457 53.474 54.000 -0.114 0.000 0.837 332 D CB -1.043 39.684 40.800 -0.121 0.000 0.948 332 D HN 0.501 nan 8.370 nan 0.000 0.507 333 N N 0.953 119.554 118.700 -0.164 0.000 2.513 333 N HA 0.022 4.759 4.740 -0.004 0.000 0.274 333 N C -0.394 174.984 175.510 -0.221 0.000 1.189 333 N CA -0.517 52.360 53.050 -0.289 0.000 0.975 333 N CB 0.272 38.528 38.487 -0.385 0.000 1.157 333 N HN 0.099 nan 8.380 nan 0.000 0.465 334 H N -1.377 117.690 119.070 -0.004 0.000 2.445 334 H HA -0.188 4.365 4.556 -0.004 0.000 0.322 334 H C -0.095 175.239 175.328 0.010 0.000 1.053 334 H CA 0.186 56.228 56.048 -0.009 0.000 1.109 334 H CB -1.957 27.817 29.762 0.021 0.000 1.546 334 H HN 0.606 nan 8.280 nan 0.000 0.397 335 A N 0.298 123.136 122.820 0.030 0.000 2.498 335 A HA 0.149 4.466 4.320 -0.004 0.000 0.239 335 A C 0.333 177.977 177.584 0.101 0.000 1.068 335 A CA -0.247 51.767 52.037 -0.038 0.000 0.766 335 A CB 0.221 19.173 19.000 -0.080 0.000 1.003 335 A HN 0.417 nan 8.150 nan 0.000 0.497 336 W N 3.631 124.860 121.300 -0.118 0.000 1.836 336 W HA 0.383 5.041 4.660 -0.003 0.000 0.449 336 W C -0.469 175.897 176.519 -0.254 0.000 0.787 336 W CA -0.682 56.557 57.345 -0.176 0.000 1.729 336 W CB -1.038 28.400 29.460 -0.037 0.000 1.802 336 W HN 0.351 nan 8.180 nan 0.000 0.257 337 L N 2.501 123.627 121.223 -0.163 0.000 2.326 337 L HA 0.513 4.850 4.340 -0.004 0.000 0.278 337 L C -0.481 176.135 176.870 -0.424 0.000 1.092 337 L CA -0.462 54.295 54.840 -0.138 0.000 0.810 337 L CB 0.509 42.576 42.059 0.013 0.000 1.153 337 L HN -0.069 nan 8.230 nan 0.000 0.439 338 F N 0.282 120.362 119.950 0.217 0.000 2.562 338 F HA 0.417 4.941 4.527 -0.005 0.000 0.319 338 F C 0.769 176.757 175.800 0.313 0.000 1.154 338 F CA -0.720 57.426 58.000 0.244 0.000 0.931 338 F CB 1.778 40.908 39.000 0.218 0.000 1.198 338 F HN 0.446 nan 8.300 nan 0.000 0.444 339 G N 2.849 111.925 108.800 0.460 0.000 2.398 339 G HA2 0.172 4.130 3.960 -0.004 0.000 0.246 339 G HA3 0.172 4.130 3.960 -0.004 0.000 0.246 339 G C -0.916 174.343 174.900 0.598 0.000 1.289 339 G CA -0.145 45.211 45.100 0.426 0.000 0.869 339 G HN 0.732 nan 8.290 nan 0.000 0.543 340 W N 1.527 122.982 121.300 0.260 0.000 3.429 340 W HA 0.429 5.086 4.660 -0.005 0.000 0.355 340 W C -0.274 176.345 176.519 0.167 0.000 1.131 340 W CA -0.914 56.579 57.345 0.247 0.000 1.031 340 W CB 1.195 30.880 29.460 0.375 0.000 1.534 340 W HN 0.348 nan 8.180 nan 0.000 0.605 341 K N 2.040 122.210 120.400 -0.384 0.000 2.485 341 K HA -0.038 4.280 4.320 -0.004 0.000 0.277 341 K C -0.005 176.563 176.600 -0.054 0.000 0.990 341 K CA 0.720 56.817 56.287 -0.316 0.000 0.994 341 K CB 0.141 32.359 32.500 -0.470 0.000 0.906 341 K HN 0.307 nan 8.250 nan 0.000 0.488 342 K N 0.797 121.170 120.400 -0.044 0.000 3.077 342 K HA -0.270 4.047 4.320 -0.004 0.000 0.264 342 K C 0.626 177.268 176.600 0.070 0.000 1.008 342 K CA 0.434 56.729 56.287 0.014 0.000 0.740 342 K CB -1.973 30.536 32.500 0.014 0.000 1.273 342 K HN 1.155 nan 8.250 nan 0.000 0.477 343 G N -0.515 108.331 108.800 0.076 0.000 2.184 343 G HA2 -0.394 3.564 3.960 -0.004 0.000 0.264 343 G HA3 -0.394 3.564 3.960 -0.004 0.000 0.264 343 G C 0.188 175.152 174.900 0.106 0.000 0.975 343 G CA 0.553 45.712 45.100 0.098 0.000 0.642 343 G HN 0.938 nan 8.290 nan 0.000 0.536 344 S N -1.177 114.607 115.700 0.140 0.000 2.614 344 S HA 0.727 5.195 4.470 -0.004 0.000 0.265 344 S C -0.064 174.664 174.600 0.215 0.000 1.303 344 S CA -0.039 58.239 58.200 0.129 0.000 1.000 344 S CB 2.549 65.845 63.200 0.160 0.000 0.935 344 S HN 1.133 nan 8.310 nan 0.000 0.551 345 V N 2.209 122.223 119.914 0.167 0.000 2.623 345 V HA 0.449 4.566 4.120 -0.004 0.000 0.304 345 V C -0.991 175.297 176.094 0.323 0.000 1.054 345 V CA -0.709 61.723 62.300 0.220 0.000 0.882 345 V CB 1.341 33.128 31.823 -0.060 0.000 1.002 345 V HN 0.892 nan 8.190 nan 0.000 0.424 346 F N 4.213 124.269 119.950 0.176 0.000 2.394 346 F HA 0.501 5.025 4.527 -0.005 0.000 0.340 346 F C 0.261 176.085 175.800 0.041 0.000 1.105 346 F CA 0.004 57.919 58.000 -0.142 0.000 1.124 346 F CB 1.290 40.031 39.000 -0.431 0.000 1.145 346 F HN 0.514 nan 8.300 nan 0.000 0.505 347 Q N 5.759 125.088 119.800 -0.785 0.000 2.394 347 Q HA 0.432 4.769 4.340 -0.004 0.000 0.259 347 Q C -0.395 175.089 176.000 -0.860 0.000 1.021 347 Q CA -0.259 55.269 55.803 -0.459 0.000 0.805 347 Q CB 1.655 30.331 28.738 -0.103 0.000 1.226 347 Q HN 0.947 nan 8.270 nan 0.000 0.476 348 A N 2.849 125.460 122.820 -0.349 0.000 2.169 348 A HA 0.451 4.769 4.320 -0.004 0.000 0.212 348 A C 0.829 178.370 177.584 -0.073 0.000 1.153 348 A CA 1.132 53.148 52.037 -0.036 0.000 0.756 348 A CB 0.167 19.533 19.000 0.610 0.000 0.813 348 A HN 0.867 nan 8.150 nan 0.000 0.471 349 G N -1.760 106.780 108.800 -0.433 0.000 2.367 349 G HA2 0.253 4.211 3.960 -0.004 0.000 0.272 349 G HA3 0.253 4.211 3.960 -0.004 0.000 0.272 349 G C -2.529 171.606 174.900 -1.275 0.000 1.271 349 G CA 0.144 44.596 45.100 -1.080 0.000 0.893 349 G HN -0.166 nan 8.290 nan 0.000 0.485 350 P HA 0.020 nan 4.420 nan 0.000 0.225 350 P C 1.177 178.032 177.300 -0.743 0.000 1.148 350 P CA 1.452 63.720 63.100 -1.388 0.000 0.779 350 P CB -0.215 31.109 31.700 -0.627 0.000 0.780 351 S N -1.040 114.347 115.700 -0.523 0.000 2.573 351 S HA 0.067 4.535 4.470 -0.004 0.000 0.277 351 S C 1.382 175.803 174.600 -0.298 0.000 1.346 351 S CA -0.096 57.916 58.200 -0.312 0.000 1.034 351 S CB 0.006 63.072 63.200 -0.223 0.000 0.879 351 S HN -0.016 nan 8.310 nan 0.000 0.528 352 T N 1.988 116.428 114.554 -0.191 0.000 2.699 352 T HA -0.030 4.318 4.350 -0.004 0.000 0.268 352 T C 1.020 175.632 174.700 -0.146 0.000 1.036 352 T CA 1.551 63.564 62.100 -0.146 0.000 1.147 352 T CB -0.683 68.131 68.868 -0.089 0.000 0.862 352 T HN 0.988 nan 8.240 nan 0.000 0.446 353 A N 1.918 124.655 122.820 -0.139 0.000 2.409 353 A HA 0.555 4.872 4.320 -0.004 0.000 0.267 353 A C 0.148 177.618 177.584 -0.191 0.000 1.127 353 A CA -0.180 51.780 52.037 -0.129 0.000 0.795 353 A CB -0.164 18.778 19.000 -0.097 0.000 1.061 353 A HN 0.417 nan 8.150 nan 0.000 0.502 354 M N 2.948 122.427 119.600 -0.202 0.000 2.409 354 M HA 0.375 4.853 4.480 -0.004 0.000 0.329 354 M C -0.227 175.851 176.300 -0.370 0.000 1.180 354 M CA -0.279 54.813 55.300 -0.348 0.000 1.053 354 M CB 1.261 33.681 32.600 -0.300 0.000 1.586 354 M HN 0.721 nan 8.290 nan 0.000 0.461 355 N N 0.755 119.115 118.700 -0.567 0.000 2.416 355 N HA 0.422 5.159 4.740 -0.004 0.000 0.276 355 N C -2.088 173.045 175.510 -0.628 0.000 1.261 355 N CA -0.529 52.232 53.050 -0.482 0.000 0.790 355 N CB 1.920 40.144 38.487 -0.437 0.000 1.554 355 N HN 0.599 nan 8.380 nan 0.000 0.481 356 W N 0.859 121.963 121.300 -0.325 0.000 2.433 356 W HA 0.429 5.086 4.660 -0.005 0.000 0.315 356 W C -0.544 175.572 176.519 -0.672 0.000 1.087 356 W CA -0.480 56.663 57.345 -0.337 0.000 1.205 356 W CB 0.765 30.057 29.460 -0.280 0.000 1.288 356 W HN 0.358 nan 8.180 nan 0.000 0.504 357 Y N 2.515 122.713 120.300 -0.169 0.000 2.352 357 Y HA 0.382 4.929 4.550 -0.004 0.000 0.339 357 Y C -0.580 175.049 175.900 -0.451 0.000 0.992 357 Y CA -1.098 56.844 58.100 -0.262 0.000 1.100 357 Y CB 1.031 39.298 38.460 -0.321 0.000 1.192 357 Y HN 0.249 nan 8.280 nan 0.000 0.458 358 Y N 0.134 120.506 120.300 0.121 0.000 2.409 358 Y HA 0.329 4.877 4.550 -0.004 0.000 0.339 358 Y C 1.028 176.968 175.900 0.066 0.000 1.033 358 Y CA -0.896 57.248 58.100 0.074 0.000 1.094 358 Y CB 1.915 40.419 38.460 0.073 0.000 1.210 358 Y HN 0.635 nan 8.280 nan 0.000 0.456 359 T N -3.366 111.307 114.554 0.199 0.000 3.054 359 T HA 0.118 4.465 4.350 -0.004 0.000 0.255 359 T C 0.314 175.119 174.700 0.175 0.000 1.035 359 T CA -0.177 62.030 62.100 0.178 0.000 0.941 359 T CB -0.342 68.606 68.868 0.133 0.000 1.026 359 T HN 0.490 nan 8.240 nan 0.000 0.533 360 S N 0.820 116.618 115.700 0.164 0.000 2.565 360 S HA 0.596 5.063 4.470 -0.004 0.000 0.276 360 S C 1.305 175.971 174.600 0.110 0.000 1.326 360 S CA -0.079 58.189 58.200 0.113 0.000 1.045 360 S CB 0.437 63.685 63.200 0.080 0.000 0.918 360 S HN 1.173 nan 8.310 nan 0.000 0.505 361 G N 2.490 111.343 108.800 0.089 0.000 2.583 361 G HA2 -0.294 3.663 3.960 -0.004 0.000 0.292 361 G HA3 -0.294 3.663 3.960 -0.004 0.000 0.292 361 G C 0.665 175.633 174.900 0.112 0.000 1.203 361 G CA 0.196 45.347 45.100 0.085 0.000 0.987 361 G HN 1.311 nan 8.290 nan 0.000 0.554 362 S N 2.095 117.863 115.700 0.112 0.000 2.660 362 S HA 0.487 4.955 4.470 -0.004 0.000 0.227 362 S C 1.030 175.734 174.600 0.173 0.000 0.948 362 S CA 1.453 59.733 58.200 0.132 0.000 0.948 362 S CB -0.552 62.713 63.200 0.108 0.000 0.779 362 S HN 2.392 nan 8.310 nan 0.000 0.487 363 G N 1.256 110.172 108.800 0.193 0.000 2.758 363 G HA2 0.010 3.967 3.960 -0.004 0.000 0.686 363 G HA3 0.010 3.967 3.960 -0.004 0.000 0.686 363 G C -1.229 173.819 174.900 0.246 0.000 1.389 363 G CA -0.468 44.786 45.100 0.256 0.000 0.845 363 G HN 0.348 nan 8.290 nan 0.000 0.572 364 D N -2.080 118.514 120.400 0.324 0.000 2.639 364 D HA 0.698 5.336 4.640 -0.004 0.000 0.271 364 D C -1.214 175.301 176.300 0.359 0.000 1.254 364 D CA 0.501 54.683 54.000 0.303 0.000 0.810 364 D CB 2.104 43.031 40.800 0.212 0.000 1.351 364 D HN 1.266 nan 8.370 nan 0.000 0.427 365 V N 1.073 121.127 119.914 0.233 0.000 2.808 365 V HA 0.666 4.784 4.120 -0.004 0.000 0.308 365 V C -1.660 174.497 176.094 0.104 0.000 1.099 365 V CA -0.486 61.815 62.300 0.002 0.000 0.920 365 V CB 1.884 33.590 31.823 -0.195 0.000 1.014 365 V HN 0.578 nan 8.190 nan 0.000 0.425 366 K N 3.735 124.208 120.400 0.121 0.000 2.468 366 K HA 0.599 4.917 4.320 -0.004 0.000 0.252 366 K C -0.571 176.109 176.600 0.133 0.000 0.932 366 K CA -0.495 55.910 56.287 0.198 0.000 0.794 366 K CB 2.181 34.907 32.500 0.376 0.000 1.241 366 K HN 0.719 nan 8.250 nan 0.000 0.428 367 S N 1.624 117.379 115.700 0.092 0.000 2.537 367 S HA 0.106 4.573 4.470 -0.004 0.000 0.286 367 S C 0.540 175.223 174.600 0.137 0.000 1.299 367 S CA -0.114 58.118 58.200 0.053 0.000 1.067 367 S CB 1.156 64.380 63.200 0.040 0.000 0.864 367 S HN 0.665 nan 8.310 nan 0.000 0.494 368 A N 2.789 125.644 122.820 0.058 0.000 2.503 368 A HA 0.634 4.951 4.320 -0.004 0.000 0.263 368 A C 1.014 178.650 177.584 0.087 0.000 1.258 368 A CA 0.226 52.339 52.037 0.126 0.000 0.936 368 A CB -0.801 18.171 19.000 -0.047 0.000 1.070 368 A HN 1.506 nan 8.150 nan 0.000 0.522 369 G N -0.007 108.820 108.800 0.045 0.000 2.728 369 G HA2 -0.148 3.809 3.960 -0.004 0.000 0.294 369 G HA3 -0.148 3.809 3.960 -0.004 0.000 0.294 369 G C -0.569 174.325 174.900 -0.009 0.000 1.342 369 G CA -0.478 44.640 45.100 0.030 0.000 0.866 369 G HN 0.474 nan 8.290 nan 0.000 0.534 370 K N -0.068 120.327 120.400 -0.010 0.000 2.143 370 K HA 0.436 4.754 4.320 -0.004 0.000 0.272 370 K C 0.723 177.297 176.600 -0.044 0.000 1.001 370 K CA -0.760 55.505 56.287 -0.037 0.000 0.915 370 K CB 1.569 34.052 32.500 -0.027 0.000 1.047 370 K HN 0.601 nan 8.250 nan 0.000 0.458 371 R N 3.346 123.792 120.500 -0.090 0.000 2.351 371 R HA -0.024 4.313 4.340 -0.004 0.000 0.318 371 R C -0.367 175.815 176.300 -0.195 0.000 1.055 371 R CA 0.503 56.509 56.100 -0.157 0.000 0.968 371 R CB 0.263 30.445 30.300 -0.196 0.000 0.974 371 R HN 0.763 nan 8.270 nan 0.000 0.439 372 Q N 1.811 121.532 119.800 -0.131 0.000 2.814 372 Q HA 0.545 4.883 4.340 -0.004 0.000 0.322 372 Q C -1.543 174.587 176.000 0.216 0.000 0.861 372 Q CA -1.045 54.775 55.803 0.029 0.000 0.773 372 Q CB 1.669 30.433 28.738 0.044 0.000 1.423 372 Q HN 0.626 nan 8.270 nan 0.000 0.495 373 S N -0.899 114.947 115.700 0.244 0.000 2.694 373 S HA 0.279 4.746 4.470 -0.004 0.000 0.273 373 S C -0.354 174.318 174.600 0.120 0.000 1.180 373 S CA -0.074 58.268 58.200 0.238 0.000 0.864 373 S CB 0.048 63.477 63.200 0.381 0.000 1.198 373 S HN 0.850 nan 8.310 nan 0.000 0.499 374 N N 0.522 119.266 118.700 0.073 0.000 2.512 374 N HA 0.005 4.742 4.740 -0.004 0.000 0.183 374 N C 1.131 176.622 175.510 -0.032 0.000 1.073 374 N CA 0.534 53.594 53.050 0.017 0.000 0.911 374 N CB -0.480 38.011 38.487 0.008 0.000 0.964 374 N HN 0.557 nan 8.380 nan 0.000 0.447 375 R N -0.527 119.931 120.500 -0.071 0.000 2.297 375 R HA 0.285 4.622 4.340 -0.004 0.000 0.197 375 R C 0.465 176.727 176.300 -0.063 0.000 0.943 375 R CA 0.500 56.509 56.100 -0.153 0.000 1.038 375 R CB 0.103 30.154 30.300 -0.415 0.000 0.957 375 R HN 0.361 nan 8.270 nan 0.000 0.484 376 G N -0.092 108.716 108.800 0.013 0.000 2.353 376 G HA2 -0.157 3.800 3.960 -0.004 0.000 0.615 376 G HA3 -0.157 3.800 3.960 -0.004 0.000 0.615 376 G C -1.073 173.875 174.900 0.080 0.000 1.280 376 G CA -1.017 44.104 45.100 0.034 0.000 1.000 376 G HN -0.073 nan 8.290 nan 0.000 0.516 377 V N 1.332 121.278 119.914 0.053 0.000 2.508 377 V HA 0.505 4.623 4.120 -0.004 0.000 0.281 377 V C 1.337 177.467 176.094 0.060 0.000 1.041 377 V CA 0.405 62.730 62.300 0.042 0.000 1.016 377 V CB 0.787 32.619 31.823 0.015 0.000 0.984 377 V HN 1.857 nan 8.190 nan 0.000 0.478 378 A N 8.480 131.326 122.820 0.044 0.000 2.454 378 A HA 0.557 4.875 4.320 -0.004 0.000 0.260 378 A C -2.166 175.434 177.584 0.026 0.000 1.106 378 A CA -0.959 51.122 52.037 0.073 0.000 0.780 378 A CB -0.139 18.827 19.000 -0.058 0.000 1.044 378 A HN 0.687 nan 8.150 nan 0.000 0.498 379 P HA 0.178 nan 4.420 nan 0.000 0.277 379 P C -0.671 176.621 177.300 -0.014 0.000 1.271 379 P CA -0.593 62.514 63.100 0.011 0.000 0.795 379 P CB 0.439 32.153 31.700 0.023 0.000 1.101 380 D N -0.017 120.357 120.400 -0.043 0.000 2.488 380 D HA 0.205 4.842 4.640 -0.004 0.000 0.238 380 D C 0.079 176.350 176.300 -0.048 0.000 1.138 380 D CA 0.772 54.722 54.000 -0.083 0.000 0.873 380 D CB 0.100 40.856 40.800 -0.073 0.000 1.183 380 D HN 0.263 nan 8.370 nan 0.000 0.458 381 A N 3.114 125.893 122.820 -0.068 0.000 3.204 381 A HA 0.227 4.545 4.320 -0.004 0.000 0.327 381 A C 0.066 177.706 177.584 0.095 0.000 0.998 381 A CA -0.696 51.379 52.037 0.063 0.000 0.891 381 A CB 0.065 19.219 19.000 0.258 0.000 1.061 381 A HN 0.419 nan 8.150 nan 0.000 0.478 382 M N 1.280 120.876 119.600 -0.007 0.000 2.252 382 M HA 0.224 4.701 4.480 -0.004 0.000 0.348 382 M C 0.910 177.188 176.300 -0.036 0.000 1.334 382 M CA 1.530 56.824 55.300 -0.010 0.000 1.071 382 M CB -0.642 31.936 32.600 -0.035 0.000 1.763 382 M HN 0.833 nan 8.290 nan 0.000 0.452 383 S N 1.743 117.473 115.700 0.050 0.000 3.228 383 S HA -0.127 4.340 4.470 -0.004 0.000 0.282 383 S C 0.443 175.024 174.600 -0.031 0.000 1.286 383 S CA 0.647 58.835 58.200 -0.019 0.000 1.066 383 S CB -2.377 60.741 63.200 -0.137 0.000 1.277 383 S HN 1.245 nan 8.310 nan 0.000 0.661 384 G N 0.952 109.847 108.800 0.158 0.000 2.503 384 G HA2 0.517 4.474 3.960 -0.004 0.000 0.257 384 G HA3 0.517 4.474 3.960 -0.004 0.000 0.257 384 G C -0.224 174.355 174.900 -0.535 0.000 1.214 384 G CA -0.447 44.670 45.100 0.029 0.000 0.839 384 G HN 0.482 nan 8.290 nan 0.000 0.559 385 N N -0.495 117.606 118.700 -0.997 0.000 2.489 385 N HA 0.587 5.324 4.740 -0.004 0.000 0.284 385 N C -0.466 174.121 175.510 -1.538 0.000 1.158 385 N CA -0.510 51.803 53.050 -1.229 0.000 0.965 385 N CB 1.812 39.608 38.487 -1.152 0.000 1.195 385 N HN 0.634 nan 8.380 nan 0.000 0.506 386 A N 1.155 123.370 122.820 -1.008 0.000 2.381 386 A HA 0.565 4.882 4.320 -0.004 0.000 0.299 386 A C -1.155 176.456 177.584 0.044 0.000 1.049 386 A CA -0.495 51.235 52.037 -0.511 0.000 0.715 386 A CB 1.085 19.909 19.000 -0.295 0.000 1.222 386 A HN 0.371 nan 8.150 nan 0.000 0.428 387 V N 3.258 123.271 119.914 0.166 0.000 2.577 387 V HA 0.429 4.547 4.120 -0.004 0.000 0.303 387 V C -0.075 176.136 176.094 0.196 0.000 1.042 387 V CA -0.300 62.170 62.300 0.283 0.000 0.872 387 V CB 1.882 33.898 31.823 0.322 0.000 0.998 387 V HN 0.977 nan 8.190 nan 0.000 0.423 388 M N 5.684 125.370 119.600 0.143 0.000 2.435 388 M HA 0.259 4.736 4.480 -0.004 0.000 0.344 388 M C 0.596 176.930 176.300 0.056 0.000 1.329 388 M CA -0.451 54.789 55.300 -0.099 0.000 1.320 388 M CB 0.092 32.597 32.600 -0.157 0.000 1.309 388 M HN 0.874 nan 8.290 nan 0.000 0.451 389 Y N 0.796 121.125 120.300 0.050 0.000 2.519 389 Y HA 0.267 4.814 4.550 -0.005 0.000 0.287 389 Y C 0.120 176.069 175.900 0.082 0.000 1.128 389 Y CA -0.024 58.126 58.100 0.084 0.000 1.282 389 Y CB 0.168 38.687 38.460 0.099 0.000 1.027 389 Y HN 0.461 nan 8.280 nan 0.000 0.551 390 D N 0.608 120.808 120.400 -0.335 0.000 2.330 390 D HA 0.353 4.991 4.640 -0.004 0.000 0.249 390 D C 0.564 176.802 176.300 -0.104 0.000 1.306 390 D CA 0.028 53.934 54.000 -0.156 0.000 0.956 390 D CB 1.403 42.093 40.800 -0.183 0.000 1.261 390 D HN 0.234 nan 8.370 nan 0.000 0.544 391 A N 2.354 125.211 122.820 0.063 0.000 2.015 391 A HA -0.043 4.274 4.320 -0.004 0.000 0.219 391 A C 2.027 179.758 177.584 0.246 0.000 1.163 391 A CA 1.026 53.187 52.037 0.205 0.000 0.646 391 A CB -0.008 19.184 19.000 0.320 0.000 0.806 391 A HN 0.429 nan 8.150 nan 0.000 0.448 392 V N 0.048 120.041 119.914 0.131 0.000 2.427 392 V HA -0.137 3.981 4.120 -0.004 0.000 0.248 392 V C 1.952 178.115 176.094 0.115 0.000 1.051 392 V CA 1.832 64.192 62.300 0.100 0.000 1.048 392 V CB -0.379 31.473 31.823 0.049 0.000 0.666 392 V HN 0.379 nan 8.190 nan 0.000 0.456 393 K N -0.090 120.351 120.400 0.069 0.000 2.374 393 K HA 0.271 4.589 4.320 -0.004 0.000 0.196 393 K C 1.366 177.973 176.600 0.012 0.000 1.023 393 K CA 0.672 56.983 56.287 0.040 0.000 1.103 393 K CB 0.207 32.706 32.500 -0.002 0.000 0.848 393 K HN 0.504 nan 8.250 nan 0.000 0.528 394 G N 2.739 111.570 108.800 0.051 0.000 2.249 394 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.273 394 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.273 394 G C -0.260 174.411 174.900 -0.382 0.000 1.036 394 G CA 0.201 45.195 45.100 -0.176 0.000 0.824 394 G HN 0.102 nan 8.290 nan 0.000 0.504 395 K N 0.063 120.225 120.400 -0.396 0.000 2.276 395 K HA 0.549 4.866 4.320 -0.004 0.000 0.285 395 K C 0.448 176.661 176.600 -0.645 0.000 1.062 395 K CA -0.239 55.719 56.287 -0.549 0.000 0.918 395 K CB 1.290 33.309 32.500 -0.800 0.000 1.055 395 K HN 0.373 nan 8.250 nan 0.000 0.477 396 I N 3.745 124.074 120.570 -0.401 0.000 2.436 396 I HA 0.224 4.391 4.170 -0.004 0.000 0.289 396 I C -0.661 175.476 176.117 0.033 0.000 1.010 396 I CA -1.178 59.954 61.300 -0.280 0.000 1.098 396 I CB 1.707 39.437 38.000 -0.450 0.000 1.266 396 I HN 0.261 nan 8.210 nan 0.000 0.434 397 L N 7.218 128.572 121.223 0.218 0.000 2.272 397 L HA 0.597 4.934 4.340 -0.004 0.000 0.289 397 L C 0.101 177.055 176.870 0.141 0.000 1.032 397 L CA 0.277 55.245 54.840 0.213 0.000 0.810 397 L CB 1.416 43.588 42.059 0.189 0.000 1.205 397 L HN 0.718 nan 8.230 nan 0.000 0.422 398 T N 1.998 116.593 114.554 0.068 0.000 2.856 398 T HA 0.842 5.190 4.350 -0.004 0.000 0.283 398 T C -0.638 174.043 174.700 -0.033 0.000 1.008 398 T CA -0.543 61.431 62.100 -0.211 0.000 0.997 398 T CB 1.278 70.084 68.868 -0.104 0.000 0.992 398 T HN 0.507 nan 8.240 nan 0.000 0.454 399 F N -1.079 118.757 119.950 -0.191 0.000 2.688 399 F HA 0.767 5.291 4.527 -0.005 0.000 0.308 399 F C 0.388 176.194 175.800 0.009 0.000 1.117 399 F CA -0.372 57.572 58.000 -0.093 0.000 0.976 399 F CB 0.740 39.684 39.000 -0.094 0.000 1.291 399 F HN 1.198 nan 8.300 nan 0.000 0.439 400 G N 0.637 109.501 108.800 0.106 0.000 2.562 400 G HA2 0.445 4.402 3.960 -0.004 0.000 0.250 400 G HA3 0.445 4.402 3.960 -0.004 0.000 0.250 400 G C 0.402 175.353 174.900 0.085 0.000 1.269 400 G CA 0.574 45.678 45.100 0.006 0.000 0.919 400 G HN 3.233 nan 8.290 nan 0.000 0.574 401 G N -2.554 106.289 108.800 0.072 0.000 2.757 401 G HA2 0.481 4.438 3.960 -0.004 0.000 0.638 401 G HA3 0.481 4.438 3.960 -0.004 0.000 0.638 401 G C 0.049 174.915 174.900 -0.056 0.000 1.344 401 G CA 0.817 45.933 45.100 0.026 0.000 0.855 401 G HN 2.918 nan 8.290 nan 0.000 0.537 402 S N -0.644 115.000 115.700 -0.094 0.000 2.595 402 S HA 0.813 5.280 4.470 -0.004 0.000 0.281 402 S C -1.867 172.699 174.600 -0.056 0.000 1.117 402 S CA -0.748 57.395 58.200 -0.095 0.000 0.873 402 S CB 2.832 65.931 63.200 -0.169 0.000 1.108 402 S HN 0.435 nan 8.310 nan 0.000 0.477 403 P HA 0.016 nan 4.420 nan 0.000 0.216 403 P C -0.356 176.940 177.300 -0.007 0.000 1.150 403 P CA 1.404 64.492 63.100 -0.020 0.000 0.837 403 P CB 0.016 31.708 31.700 -0.012 0.000 0.786 404 D N -3.335 117.066 120.400 0.001 0.000 2.350 404 D HA 0.094 4.732 4.640 -0.004 0.000 0.238 404 D C 0.541 176.882 176.300 0.068 0.000 0.989 404 D CA -0.687 53.344 54.000 0.052 0.000 0.921 404 D CB 0.898 41.734 40.800 0.060 0.000 1.297 404 D HN -0.070 nan 8.370 nan 0.000 0.490 405 Y N 0.790 121.108 120.300 0.031 0.000 2.165 405 Y HA -0.220 4.327 4.550 -0.004 0.000 0.286 405 Y C 1.102 177.046 175.900 0.073 0.000 1.155 405 Y CA 1.725 59.870 58.100 0.075 0.000 1.164 405 Y CB 0.437 38.962 38.460 0.108 0.000 0.978 405 Y HN 0.414 nan 8.280 nan 0.000 0.513 406 Q N -1.839 118.122 119.800 0.269 0.000 2.495 406 Q HA 0.285 4.623 4.340 -0.004 0.000 0.287 406 Q C -1.014 175.039 176.000 0.088 0.000 1.078 406 Q CA -0.488 55.418 55.803 0.173 0.000 0.793 406 Q CB 1.977 30.834 28.738 0.199 0.000 1.459 406 Q HN 0.117 nan 8.270 nan 0.000 0.422 407 D N -0.197 120.237 120.400 0.056 0.000 2.723 407 D HA -0.147 4.490 4.640 -0.004 0.000 0.236 407 D C -1.141 175.165 176.300 0.010 0.000 1.138 407 D CA 1.641 55.661 54.000 0.033 0.000 0.676 407 D CB -1.201 39.626 40.800 0.045 0.000 1.069 407 D HN 0.504 nan 8.370 nan 0.000 0.430 408 S N -0.487 115.202 115.700 -0.018 0.000 2.540 408 S HA 0.339 4.806 4.470 -0.004 0.000 0.275 408 S C -1.218 173.340 174.600 -0.071 0.000 1.123 408 S CA -0.835 57.343 58.200 -0.036 0.000 0.907 408 S CB 1.612 64.791 63.200 -0.035 0.000 1.081 408 S HN -0.026 nan 8.310 nan 0.000 0.476 409 D N 2.942 123.308 120.400 -0.058 0.000 2.351 409 D HA 0.461 5.098 4.640 -0.004 0.000 0.251 409 D C 0.483 176.732 176.300 -0.086 0.000 1.137 409 D CA 0.191 54.151 54.000 -0.067 0.000 0.879 409 D CB 1.452 42.225 40.800 -0.045 0.000 1.181 409 D HN 0.671 nan 8.370 nan 0.000 0.448 410 A N 2.298 125.050 122.820 -0.113 0.000 2.346 410 A HA 0.538 4.856 4.320 -0.004 0.000 0.252 410 A C 0.699 178.234 177.584 -0.082 0.000 1.089 410 A CA -0.288 51.675 52.037 -0.124 0.000 0.797 410 A CB 0.411 19.310 19.000 -0.168 0.000 1.047 410 A HN 0.600 nan 8.150 nan 0.000 0.494 411 T N -3.212 111.300 114.554 -0.069 0.000 2.910 411 T HA 0.566 4.914 4.350 -0.004 0.000 0.287 411 T C 0.551 175.211 174.700 -0.066 0.000 1.050 411 T CA 0.223 62.298 62.100 -0.042 0.000 1.011 411 T CB 1.175 70.048 68.868 0.008 0.000 1.195 411 T HN 1.024 nan 8.240 nan 0.000 0.540 412 T N -1.960 112.561 114.554 -0.055 0.000 3.105 412 T HA 0.255 4.603 4.350 -0.004 0.000 0.253 412 T C 0.449 175.100 174.700 -0.083 0.000 1.047 412 T CA -0.472 61.561 62.100 -0.112 0.000 0.944 412 T CB -0.935 67.853 68.868 -0.134 0.000 1.016 412 T HN 0.657 nan 8.240 nan 0.000 0.544 413 N N 1.938 120.651 118.700 0.022 0.000 2.412 413 N HA 0.377 5.114 4.740 -0.004 0.000 0.258 413 N C -0.537 174.855 175.510 -0.197 0.000 1.236 413 N CA -0.006 53.069 53.050 0.042 0.000 0.882 413 N CB 0.321 38.938 38.487 0.216 0.000 1.066 413 N HN 0.567 nan 8.380 nan 0.000 0.465 414 A N 2.891 125.258 122.820 -0.756 0.000 2.488 414 A HA 0.567 4.885 4.320 -0.004 0.000 0.298 414 A C -1.545 175.407 177.584 -1.054 0.000 1.044 414 A CA -0.644 51.035 52.037 -0.597 0.000 0.693 414 A CB 1.103 19.856 19.000 -0.412 0.000 1.272 414 A HN 0.787 nan 8.150 nan 0.000 0.402 415 H N -0.110 118.794 119.070 -0.278 0.000 2.865 415 H HA 0.696 5.249 4.556 -0.004 0.000 0.372 415 H C -0.989 174.293 175.328 -0.077 0.000 1.173 415 H CA -0.518 55.431 56.048 -0.166 0.000 1.147 415 H CB 1.759 31.508 29.762 -0.020 0.000 1.805 415 H HN 0.549 nan 8.280 nan 0.000 0.553 416 I N 2.744 123.372 120.570 0.096 0.000 2.382 416 I HA 0.309 4.476 4.170 -0.004 0.000 0.286 416 I C -0.613 175.557 176.117 0.089 0.000 1.002 416 I CA -0.279 61.080 61.300 0.097 0.000 1.135 416 I CB 1.019 39.092 38.000 0.121 0.000 1.288 416 I HN 0.271 nan 8.210 nan 0.000 0.448 417 I N 5.474 126.061 120.570 0.029 0.000 2.377 417 I HA 0.315 4.482 4.170 -0.004 0.000 0.293 417 I C -0.168 175.854 176.117 -0.159 0.000 0.987 417 I CA -0.279 60.994 61.300 -0.044 0.000 1.185 417 I CB 1.798 39.775 38.000 -0.038 0.000 1.341 417 I HN 0.465 nan 8.210 nan 0.000 0.455 418 T N 7.182 121.645 114.554 -0.152 0.000 2.821 418 T HA 0.455 4.802 4.350 -0.004 0.000 0.307 418 T C 0.003 174.560 174.700 -0.239 0.000 1.034 418 T CA -0.508 61.486 62.100 -0.178 0.000 0.953 418 T CB 0.401 69.228 68.868 -0.070 0.000 0.968 418 T HN 0.271 nan 8.240 nan 0.000 0.462 419 L N 2.871 123.853 121.223 -0.402 0.000 2.380 419 L HA 0.532 4.869 4.340 -0.004 0.000 0.273 419 L C 1.234 178.062 176.870 -0.070 0.000 1.138 419 L CA -0.223 54.355 54.840 -0.437 0.000 0.832 419 L CB 0.554 41.999 42.059 -1.023 0.000 1.124 419 L HN 0.741 nan 8.230 nan 0.000 0.454 420 G N 2.355 111.207 108.800 0.087 0.000 3.194 420 G HA2 0.288 4.245 3.960 -0.004 0.000 0.160 420 G HA3 0.288 4.245 3.960 -0.004 0.000 0.160 420 G C -0.397 174.680 174.900 0.295 0.000 1.267 420 G CA -0.357 44.848 45.100 0.176 0.000 0.962 420 G HN 0.463 nan 8.290 nan 0.000 0.612 421 E N 1.010 121.296 120.200 0.143 0.000 2.349 421 E HA 0.305 4.653 4.350 -0.004 0.000 0.265 421 E C -2.260 174.178 176.600 -0.269 0.000 1.064 421 E CA -1.732 54.693 56.400 0.042 0.000 0.886 421 E CB 1.062 30.753 29.700 -0.016 0.000 1.036 421 E HN 0.008 nan 8.360 nan 0.000 0.413 422 P HA 0.047 nan 4.420 nan 0.000 0.264 422 P C 0.573 177.372 177.300 -0.835 0.000 1.193 422 P CA 0.980 63.357 63.100 -1.206 0.000 0.763 422 P CB 0.440 31.865 31.700 -0.460 0.000 0.810 423 G N 1.553 109.576 108.800 -1.294 0.000 2.194 423 G HA2 -0.183 3.774 3.960 -0.004 0.000 0.236 423 G HA3 -0.183 3.774 3.960 -0.004 0.000 0.236 423 G C 0.196 175.051 174.900 -0.075 0.000 0.987 423 G CA 0.199 45.095 45.100 -0.339 0.000 0.635 423 G HN 0.784 nan 8.290 nan 0.000 0.520 424 T N -0.999 113.532 114.554 -0.039 0.000 2.859 424 T HA 0.690 5.037 4.350 -0.004 0.000 0.281 424 T C 0.170 175.121 174.700 0.418 0.000 1.005 424 T CA 0.208 62.412 62.100 0.173 0.000 1.025 424 T CB 2.019 70.947 68.868 0.100 0.000 0.977 424 T HN 0.401 nan 8.240 nan 0.000 0.458 425 S N 4.921 120.793 115.700 0.287 0.000 2.455 425 S HA 0.307 4.775 4.470 -0.004 0.000 0.278 425 S C -1.680 173.026 174.600 0.176 0.000 1.216 425 S CA -0.837 57.515 58.200 0.253 0.000 1.055 425 S CB -0.140 63.156 63.200 0.161 0.000 0.939 425 S HN 0.693 nan 8.310 nan 0.000 0.494 426 P HA 0.109 nan 4.420 nan 0.000 0.272 426 P C -0.443 176.874 177.300 0.029 0.000 1.223 426 P CA -0.510 62.605 63.100 0.026 0.000 0.784 426 P CB 0.446 32.052 31.700 -0.157 0.000 0.923 427 N N 0.397 119.106 118.700 0.015 0.000 2.520 427 N HA 0.211 4.948 4.740 -0.004 0.000 0.273 427 N C -0.799 174.732 175.510 0.035 0.000 1.155 427 N CA 0.164 53.234 53.050 0.034 0.000 0.967 427 N CB 0.379 38.887 38.487 0.034 0.000 1.092 427 N HN 0.362 nan 8.380 nan 0.000 0.457 428 T N 2.914 117.509 114.554 0.067 0.000 2.928 428 T HA 0.568 4.916 4.350 -0.004 0.000 0.296 428 T C -0.999 173.798 174.700 0.160 0.000 1.000 428 T CA -0.583 61.579 62.100 0.103 0.000 0.989 428 T CB 0.067 68.983 68.868 0.081 0.000 1.005 428 T HN 0.357 nan 8.240 nan 0.000 0.442 429 V N 2.696 122.728 119.914 0.198 0.000 3.141 429 V HA 0.805 4.923 4.120 -0.004 0.000 0.312 429 V C -0.601 175.654 176.094 0.269 0.000 1.157 429 V CA -1.332 61.102 62.300 0.223 0.000 1.041 429 V CB 1.469 33.383 31.823 0.152 0.000 1.071 429 V HN 0.791 nan 8.190 nan 0.000 0.441 430 F N 1.531 121.505 119.950 0.040 0.000 2.418 430 F HA 0.700 5.225 4.527 -0.004 0.000 0.341 430 F C 0.814 176.575 175.800 -0.066 0.000 1.120 430 F CA 0.214 58.132 58.000 -0.136 0.000 1.232 430 F CB 1.144 40.063 39.000 -0.134 0.000 1.175 430 F HN 0.883 nan 8.300 nan 0.000 0.569 431 A N 4.532 127.106 122.820 -0.410 0.000 2.294 431 A HA 0.511 4.829 4.320 -0.004 0.000 0.316 431 A C 0.616 178.254 177.584 0.090 0.000 1.359 431 A CA 0.507 52.438 52.037 -0.177 0.000 0.956 431 A CB 0.163 18.928 19.000 -0.391 0.000 1.155 431 A HN 1.105 nan 8.150 nan 0.000 0.544 432 S N 1.961 117.785 115.700 0.208 0.000 4.114 432 S HA -0.335 4.132 4.470 -0.004 0.000 0.618 432 S C 1.060 175.817 174.600 0.262 0.000 1.937 432 S CA 1.978 60.318 58.200 0.232 0.000 4.228 432 S CB -1.074 62.314 63.200 0.314 0.000 0.216 432 S HN 1.342 nan 8.310 nan 0.000 0.528 433 N N 1.906 120.721 118.700 0.191 0.000 2.282 433 N HA 0.426 5.164 4.740 -0.004 0.000 0.240 433 N C 0.169 175.755 175.510 0.127 0.000 1.182 433 N CA 1.729 54.860 53.050 0.135 0.000 0.874 433 N CB 0.546 39.007 38.487 -0.044 0.000 1.126 433 N HN 1.310 nan 8.380 nan 0.000 0.516 434 G N 0.123 108.960 108.800 0.062 0.000 2.725 434 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.220 434 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.220 434 G C -0.653 173.734 174.900 -0.855 0.000 1.357 434 G CA -0.428 44.483 45.100 -0.316 0.000 0.866 434 G HN 0.219 nan 8.290 nan 0.000 0.548 435 L N -0.192 120.516 121.223 -0.858 0.000 2.452 435 L HA 0.282 4.620 4.340 -0.004 0.000 0.267 435 L C 1.653 178.170 176.870 -0.587 0.000 1.188 435 L CA -0.480 53.821 54.840 -0.898 0.000 0.821 435 L CB 0.386 42.128 42.059 -0.528 0.000 1.102 435 L HN 0.639 nan 8.230 nan 0.000 0.470 436 Y N 0.967 120.947 120.300 -0.532 0.000 2.242 436 Y HA -0.046 4.501 4.550 -0.004 0.000 0.291 436 Y C 0.454 175.870 175.900 -0.808 0.000 1.137 436 Y CA 1.283 59.014 58.100 -0.614 0.000 1.181 436 Y CB 0.101 38.176 38.460 -0.642 0.000 0.989 436 Y HN 0.245 nan 8.280 nan 0.000 0.527 437 F N -1.025 118.895 119.950 -0.050 0.000 2.540 437 F HA 0.606 5.130 4.527 -0.005 0.000 0.317 437 F C 0.071 175.768 175.800 -0.173 0.000 1.104 437 F CA -1.916 56.024 58.000 -0.099 0.000 0.913 437 F CB 0.961 39.903 39.000 -0.098 0.000 1.170 437 F HN -0.298 nan 8.300 nan 0.000 0.450 438 A N 4.270 127.102 122.820 0.021 0.000 2.451 438 A HA 0.664 4.981 4.320 -0.004 0.000 0.266 438 A C -0.088 177.425 177.584 -0.118 0.000 1.119 438 A CA -0.385 51.606 52.037 -0.076 0.000 0.786 438 A CB -0.054 18.909 19.000 -0.062 0.000 1.061 438 A HN 0.854 nan 8.150 nan 0.000 0.503 439 R N 1.076 121.435 120.500 -0.235 0.000 2.651 439 R HA 0.762 5.099 4.340 -0.004 0.000 0.278 439 R C -0.948 175.144 176.300 -0.345 0.000 1.010 439 R CA -0.569 55.341 56.100 -0.317 0.000 0.896 439 R CB 1.659 31.726 30.300 -0.389 0.000 1.211 439 R HN 0.469 nan 8.270 nan 0.000 0.456 440 T N 1.473 115.899 114.554 -0.213 0.000 2.906 440 T HA 0.539 4.886 4.350 -0.004 0.000 0.295 440 T C -0.538 174.065 174.700 -0.162 0.000 1.061 440 T CA -0.263 61.696 62.100 -0.235 0.000 1.000 440 T CB 0.494 68.987 68.868 -0.625 0.000 1.103 440 T HN 0.563 nan 8.240 nan 0.000 0.486 441 F N 1.550 121.543 119.950 0.070 0.000 2.794 441 F HA -0.166 4.358 4.527 -0.005 0.000 0.335 441 F C 0.754 176.520 175.800 -0.057 0.000 0.653 441 F CA 0.730 58.698 58.000 -0.054 0.000 1.266 441 F CB -2.914 36.058 39.000 -0.047 0.000 1.666 441 F HN 0.829 nan 8.300 nan 0.000 0.314 442 H N 0.185 119.257 119.070 0.003 0.000 2.603 442 H HA 0.685 5.238 4.556 -0.005 0.000 0.370 442 H C 0.562 175.873 175.328 -0.028 0.000 1.225 442 H CA 0.399 56.429 56.048 -0.030 0.000 1.410 442 H CB 0.813 30.558 29.762 -0.028 0.000 1.495 442 H HN 0.221 nan 8.280 nan 0.000 0.602 443 T N -1.203 113.324 114.554 -0.046 0.000 2.916 443 T HA 0.628 4.976 4.350 -0.004 0.000 0.292 443 T C -0.460 174.253 174.700 0.022 0.000 1.055 443 T CA -0.745 61.305 62.100 -0.083 0.000 1.009 443 T CB 1.628 70.468 68.868 -0.047 0.000 1.118 443 T HN 0.912 nan 8.240 nan 0.000 0.497 444 S N -0.340 115.395 115.700 0.059 0.000 2.570 444 S HA 0.829 5.296 4.470 -0.004 0.000 0.270 444 S C -0.834 173.877 174.600 0.185 0.000 1.149 444 S CA -0.610 57.688 58.200 0.164 0.000 0.837 444 S CB 1.300 64.723 63.200 0.371 0.000 1.124 444 S HN 1.891 nan 8.310 nan 0.000 0.465 445 V N -1.494 118.566 119.914 0.244 0.000 2.971 445 V HA 0.887 5.004 4.120 -0.004 0.000 0.309 445 V C -0.386 175.845 176.094 0.227 0.000 1.130 445 V CA -0.929 61.506 62.300 0.226 0.000 0.964 445 V CB 1.250 33.210 31.823 0.229 0.000 1.029 445 V HN 1.128 nan 8.190 nan 0.000 0.427 446 V N 5.144 125.172 119.914 0.190 0.000 2.498 446 V HA 0.531 4.649 4.120 -0.004 0.000 0.279 446 V C -0.019 176.147 176.094 0.121 0.000 1.048 446 V CA -0.166 62.241 62.300 0.177 0.000 0.967 446 V CB 0.885 32.827 31.823 0.199 0.000 0.988 446 V HN 0.818 nan 8.190 nan 0.000 0.473 447 L N 7.808 129.095 121.223 0.106 0.000 2.416 447 L HA 0.431 4.768 4.340 -0.004 0.000 0.262 447 L C -1.343 175.466 176.870 -0.101 0.000 1.093 447 L CA -1.807 53.058 54.840 0.042 0.000 0.801 447 L CB 0.890 43.067 42.059 0.196 0.000 1.191 447 L HN 0.397 nan 8.230 nan 0.000 0.459 448 P HA -0.223 nan 4.420 nan 0.000 0.218 448 P C 0.583 177.731 177.300 -0.254 0.000 1.154 448 P CA 1.477 64.272 63.100 -0.508 0.000 0.872 448 P CB -0.008 31.102 31.700 -0.985 0.000 0.790 449 D N -2.536 117.731 120.400 -0.222 0.000 2.363 449 D HA 0.072 4.710 4.640 -0.004 0.000 0.226 449 D C 1.402 177.683 176.300 -0.032 0.000 1.020 449 D CA 0.797 54.726 54.000 -0.118 0.000 0.892 449 D CB -0.922 39.817 40.800 -0.101 0.000 0.900 449 D HN 0.285 nan 8.370 nan 0.000 0.531 450 G N -0.032 108.775 108.800 0.012 0.000 2.194 450 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.236 450 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.236 450 G C 0.404 175.324 174.900 0.034 0.000 0.987 450 G CA 0.300 45.450 45.100 0.083 0.000 0.635 450 G HN 0.849 nan 8.290 nan 0.000 0.520 451 S N 0.008 115.713 115.700 0.007 0.000 2.592 451 S HA 0.650 5.117 4.470 -0.004 0.000 0.271 451 S C 0.012 174.648 174.600 0.059 0.000 1.326 451 S CA 0.657 58.845 58.200 -0.020 0.000 1.024 451 S CB 1.889 65.094 63.200 0.008 0.000 0.921 451 S HN 0.579 nan 8.310 nan 0.000 0.527 452 T N 3.353 117.937 114.554 0.050 0.000 2.770 452 T HA 0.401 4.749 4.350 -0.004 0.000 0.283 452 T C -0.910 173.867 174.700 0.128 0.000 0.988 452 T CA -0.295 61.870 62.100 0.109 0.000 0.957 452 T CB 0.244 69.157 68.868 0.075 0.000 0.930 452 T HN 0.566 nan 8.240 nan 0.000 0.443 453 F N 5.118 125.083 119.950 0.025 0.000 2.411 453 F HA 0.624 5.152 4.527 0.002 0.000 0.350 453 F C -0.715 175.091 175.800 0.010 0.000 1.114 453 F CA -1.422 56.572 58.000 -0.010 0.000 1.135 453 F CB 0.234 39.223 39.000 -0.019 0.000 1.120 453 F HN 0.422 nan 8.300 nan 0.000 0.495 454 I N 5.753 125.939 120.570 -0.640 0.000 2.436 454 I HA 0.400 4.567 4.170 -0.004 0.000 0.289 454 I C -0.208 175.528 176.117 -0.635 0.000 1.010 454 I CA -0.443 60.597 61.300 -0.434 0.000 1.098 454 I CB 1.994 39.814 38.000 -0.301 0.000 1.266 454 I HN 0.562 nan 8.210 nan 0.000 0.434 455 T N 3.513 117.827 114.554 -0.400 0.000 2.894 455 T HA 0.732 5.079 4.350 -0.004 0.000 0.309 455 T C -0.067 174.578 174.700 -0.093 0.000 1.208 455 T CA 0.576 62.500 62.100 -0.293 0.000 1.016 455 T CB 1.569 70.276 68.868 -0.268 0.000 1.192 455 T HN 1.151 nan 8.240 nan 0.000 0.491 456 G N 1.455 110.180 108.800 -0.125 0.000 2.598 456 G HA2 0.372 4.330 3.960 -0.004 0.000 0.244 456 G HA3 0.372 4.330 3.960 -0.004 0.000 0.244 456 G C 0.664 175.499 174.900 -0.109 0.000 1.302 456 G CA 0.340 45.355 45.100 -0.142 0.000 0.903 456 G HN 2.504 nan 8.290 nan 0.000 0.575 457 G N -1.841 106.917 108.800 -0.070 0.000 2.757 457 G HA2 0.514 4.471 3.960 -0.004 0.000 0.638 457 G HA3 0.514 4.471 3.960 -0.004 0.000 0.638 457 G C -0.306 174.519 174.900 -0.124 0.000 1.344 457 G CA 0.956 46.043 45.100 -0.020 0.000 0.855 457 G HN 2.423 nan 8.290 nan 0.000 0.537 458 Q N -1.485 118.252 119.800 -0.104 0.000 2.495 458 Q HA 0.748 5.086 4.340 -0.004 0.000 0.287 458 Q C 1.005 176.918 176.000 -0.145 0.000 1.078 458 Q CA -0.622 55.100 55.803 -0.135 0.000 0.793 458 Q CB 1.800 30.495 28.738 -0.071 0.000 1.459 458 Q HN 0.801 nan 8.270 nan 0.000 0.422 459 R N 0.457 120.883 120.500 -0.123 0.000 2.119 459 R HA 0.065 4.402 4.340 -0.004 0.000 0.222 459 R C 0.212 176.449 176.300 -0.105 0.000 1.088 459 R CA 0.942 56.983 56.100 -0.100 0.000 0.984 459 R CB 0.452 30.715 30.300 -0.061 0.000 0.884 459 R HN 0.608 nan 8.270 nan 0.000 0.447 460 R N -0.094 120.348 120.500 -0.096 0.000 2.476 460 R HA 0.296 4.633 4.340 -0.004 0.000 0.305 460 R C -1.105 175.141 176.300 -0.090 0.000 0.965 460 R CA -0.477 55.571 56.100 -0.088 0.000 0.867 460 R CB 1.729 32.000 30.300 -0.047 0.000 1.176 460 R HN 0.284 nan 8.270 nan 0.000 0.447 461 G N 5.725 114.432 108.800 -0.155 0.000 2.469 461 G HA2 0.245 4.203 3.960 -0.004 0.000 0.293 461 G HA3 0.245 4.203 3.960 -0.004 0.000 0.293 461 G C -0.115 174.841 174.900 0.092 0.000 0.982 461 G CA -0.127 44.890 45.100 -0.138 0.000 1.401 461 G HN 0.567 nan 8.290 nan 0.000 0.453 462 I N 4.362 125.030 120.570 0.164 0.000 2.537 462 I HA 0.194 4.362 4.170 -0.004 0.000 0.276 462 I C -2.358 173.778 176.117 0.032 0.000 1.063 462 I CA -2.046 59.309 61.300 0.092 0.000 1.144 462 I CB 2.575 40.611 38.000 0.059 0.000 1.252 462 I HN 0.222 nan 8.210 nan 0.000 0.480 463 P HA 0.071 nan 4.420 nan 0.000 0.264 463 P C -0.199 176.907 177.300 -0.323 0.000 1.183 463 P CA 0.381 63.102 63.100 -0.631 0.000 0.763 463 P CB 0.095 31.167 31.700 -1.046 0.000 0.807 464 F N -0.798 119.191 119.950 0.064 0.000 2.914 464 F HA -0.222 4.302 4.527 -0.005 0.000 0.304 464 F C 0.554 176.387 175.800 0.055 0.000 0.712 464 F CA 0.864 58.916 58.000 0.088 0.000 1.211 464 F CB -2.159 36.916 39.000 0.124 0.000 1.515 464 F HN 0.353 nan 8.300 nan 0.000 0.350 465 E N 0.460 120.750 120.200 0.150 0.000 2.224 465 E HA 0.343 4.691 4.350 -0.004 0.000 0.265 465 E C -0.287 176.355 176.600 0.069 0.000 0.878 465 E CA -0.557 55.906 56.400 0.104 0.000 0.759 465 E CB 0.978 30.730 29.700 0.086 0.000 1.164 465 E HN 0.012 nan 8.360 nan 0.000 0.414 466 D N 2.419 122.854 120.400 0.058 0.000 2.519 466 D HA 0.031 4.668 4.640 -0.004 0.000 0.238 466 D C -0.121 176.171 176.300 -0.012 0.000 1.192 466 D CA 0.225 54.244 54.000 0.031 0.000 0.835 466 D CB -0.036 40.805 40.800 0.069 0.000 0.975 466 D HN 0.300 nan 8.370 nan 0.000 0.490 467 S N -0.562 115.134 115.700 -0.006 0.000 2.601 467 S HA 0.236 4.703 4.470 -0.004 0.000 0.271 467 S C 0.894 175.458 174.600 -0.061 0.000 1.305 467 S CA -0.213 57.974 58.200 -0.022 0.000 1.022 467 S CB 1.103 64.303 63.200 -0.000 0.000 0.940 467 S HN 0.314 nan 8.310 nan 0.000 0.525 468 T N -1.947 112.565 114.554 -0.069 0.000 3.708 468 T HA -0.127 4.220 4.350 -0.004 0.000 0.375 468 T C -1.748 172.840 174.700 -0.187 0.000 0.763 468 T CA 0.410 62.450 62.100 -0.099 0.000 1.915 468 T CB -2.421 66.406 68.868 -0.068 0.000 1.783 468 T HN 0.697 nan 8.240 nan 0.000 0.734 469 P HA 0.499 nan 4.420 nan 0.000 0.274 469 P C -0.135 176.767 177.300 -0.663 0.000 1.231 469 P CA -0.499 62.285 63.100 -0.526 0.000 0.790 469 P CB 1.272 32.507 31.700 -0.775 0.000 0.951 470 V N 3.770 123.307 119.914 -0.629 0.000 2.328 470 V HA 0.160 4.277 4.120 -0.004 0.000 0.278 470 V C 0.770 176.485 176.094 -0.631 0.000 1.021 470 V CA -0.008 61.925 62.300 -0.611 0.000 0.838 470 V CB 0.176 31.732 31.823 -0.446 0.000 0.999 470 V HN 0.417 nan 8.190 nan 0.000 0.447 471 F N 1.316 121.030 119.950 -0.393 0.000 2.698 471 F HA 0.118 4.642 4.527 -0.005 0.000 0.295 471 F C 1.514 177.126 175.800 -0.313 0.000 1.124 471 F CA 0.217 58.014 58.000 -0.338 0.000 1.426 471 F CB 0.138 38.968 39.000 -0.283 0.000 1.120 471 F HN 0.356 nan 8.300 nan 0.000 0.583 472 T N 3.558 117.972 114.554 -0.234 0.000 2.727 472 T HA 0.300 4.647 4.350 -0.004 0.000 0.298 472 T C -2.424 172.216 174.700 -0.100 0.000 0.942 472 T CA -1.423 60.589 62.100 -0.146 0.000 0.997 472 T CB 1.252 70.014 68.868 -0.176 0.000 0.917 472 T HN -0.227 nan 8.240 nan 0.000 0.487 473 P HA 0.448 nan 4.420 nan 0.000 0.276 473 P C -0.398 176.880 177.300 -0.037 0.000 1.252 473 P CA -0.679 62.359 63.100 -0.103 0.000 0.802 473 P CB 0.975 32.599 31.700 -0.128 0.000 1.035 474 E N 0.084 120.221 120.200 -0.106 0.000 2.343 474 E HA 0.593 4.940 4.350 -0.004 0.000 0.270 474 E C -0.823 175.822 176.600 0.075 0.000 0.895 474 E CA -0.668 55.775 56.400 0.072 0.000 0.767 474 E CB 1.932 31.730 29.700 0.162 0.000 1.248 474 E HN 0.293 nan 8.360 nan 0.000 0.440 475 I N 2.464 123.171 120.570 0.229 0.000 2.436 475 I HA 0.229 4.396 4.170 -0.004 0.000 0.289 475 I C -1.295 174.925 176.117 0.171 0.000 1.010 475 I CA -0.918 60.507 61.300 0.207 0.000 1.098 475 I CB 1.178 39.314 38.000 0.227 0.000 1.266 475 I HN 0.522 nan 8.210 nan 0.000 0.434 476 Y N 7.242 127.436 120.300 -0.178 0.000 2.327 476 Y HA 0.494 5.041 4.550 -0.005 0.000 0.336 476 Y C -0.708 174.993 175.900 -0.331 0.000 1.035 476 Y CA -0.536 57.227 58.100 -0.562 0.000 1.165 476 Y CB 1.221 39.127 38.460 -0.923 0.000 1.181 476 Y HN 0.210 nan 8.280 nan 0.000 0.494 477 V N 10.229 129.617 119.914 -0.876 0.000 2.293 477 V HA 0.221 4.339 4.120 -0.004 0.000 0.275 477 V C -1.595 173.923 176.094 -0.961 0.000 1.021 477 V CA -1.505 60.430 62.300 -0.609 0.000 0.815 477 V CB 1.283 33.010 31.823 -0.159 0.000 1.025 477 V HN 0.764 nan 8.190 nan 0.000 0.448 478 P HA -0.218 nan 4.420 nan 0.000 0.216 478 P C 1.315 178.466 177.300 -0.248 0.000 1.153 478 P CA 1.270 64.043 63.100 -0.544 0.000 0.858 478 P CB 0.674 32.213 31.700 -0.268 0.000 0.789 479 E N -0.252 119.846 120.200 -0.170 0.000 2.204 479 E HA -0.187 4.161 4.350 -0.004 0.000 0.195 479 E C 1.890 178.440 176.600 -0.085 0.000 0.990 479 E CA 0.897 57.248 56.400 -0.082 0.000 0.821 479 E CB -0.027 29.640 29.700 -0.056 0.000 0.750 479 E HN 0.368 nan 8.360 nan 0.000 0.477 480 Q N -0.403 119.313 119.800 -0.140 0.000 2.317 480 Q HA -0.000 4.337 4.340 -0.004 0.000 0.220 480 Q C -0.316 175.598 176.000 -0.144 0.000 0.873 480 Q CA 0.299 56.042 55.803 -0.099 0.000 0.936 480 Q CB 0.770 29.491 28.738 -0.029 0.000 1.105 480 Q HN 0.122 nan 8.270 nan 0.000 0.520 481 D N 1.240 121.483 120.400 -0.260 0.000 2.735 481 D HA -0.136 4.501 4.640 -0.004 0.000 0.235 481 D C -1.341 174.859 176.300 -0.167 0.000 1.175 481 D CA 1.017 54.901 54.000 -0.193 0.000 0.683 481 D CB -0.823 39.983 40.800 0.011 0.000 1.008 481 D HN 0.113 nan 8.370 nan 0.000 0.416 482 T N 0.887 115.204 114.554 -0.396 0.000 2.933 482 T HA 0.549 4.897 4.350 -0.004 0.000 0.305 482 T C -0.361 174.073 174.700 -0.444 0.000 1.092 482 T CA -0.617 61.282 62.100 -0.335 0.000 1.008 482 T CB 0.771 69.391 68.868 -0.413 0.000 1.102 482 T HN 0.036 nan 8.240 nan 0.000 0.469 483 F N 1.779 121.605 119.950 -0.207 0.000 2.422 483 F HA 0.640 5.165 4.527 -0.004 0.000 0.333 483 F C -0.469 175.289 175.800 -0.070 0.000 1.095 483 F CA -0.565 57.426 58.000 -0.015 0.000 1.038 483 F CB 1.110 40.144 39.000 0.055 0.000 1.156 483 F HN 0.483 nan 8.300 nan 0.000 0.483 484 Y N 1.580 122.094 120.300 0.357 0.000 2.373 484 Y HA 0.355 4.903 4.550 -0.002 0.000 0.336 484 Y C -0.228 175.724 175.900 0.087 0.000 0.979 484 Y CA -1.311 56.910 58.100 0.203 0.000 1.080 484 Y CB 1.632 40.149 38.460 0.095 0.000 1.190 484 Y HN 0.370 nan 8.280 nan 0.000 0.446 485 K N 3.383 123.788 120.400 0.008 0.000 2.350 485 K HA 0.221 4.538 4.320 -0.004 0.000 0.279 485 K C -0.281 176.373 176.600 0.089 0.000 1.027 485 K CA -0.520 55.727 56.287 -0.066 0.000 0.969 485 K CB 0.641 32.977 32.500 -0.274 0.000 0.954 485 K HN 0.565 nan 8.250 nan 0.000 0.474 486 Q N 1.169 121.048 119.800 0.132 0.000 2.385 486 Q HA 0.253 4.590 4.340 -0.004 0.000 0.262 486 Q C -0.228 175.906 176.000 0.224 0.000 1.050 486 Q CA -0.908 55.019 55.803 0.207 0.000 0.903 486 Q CB 0.638 29.539 28.738 0.271 0.000 1.325 486 Q HN 0.460 nan 8.270 nan 0.000 0.485 487 N N 2.780 121.664 118.700 0.306 0.000 2.454 487 N HA 0.122 4.859 4.740 -0.004 0.000 0.260 487 N C -2.192 173.569 175.510 0.418 0.000 1.218 487 N CA -0.559 52.675 53.050 0.306 0.000 0.904 487 N CB 0.139 38.804 38.487 0.297 0.000 1.065 487 N HN 0.246 nan 8.380 nan 0.000 0.462 488 P HA 0.058 nan 4.420 nan 0.000 0.274 488 P C -0.409 176.863 177.300 -0.046 0.000 1.237 488 P CA -0.397 62.766 63.100 0.105 0.000 0.793 488 P CB 0.913 32.616 31.700 0.006 0.000 0.977 489 N N 0.083 118.569 118.700 -0.356 0.000 2.671 489 N HA 0.195 4.933 4.740 -0.004 0.000 0.303 489 N C 0.135 175.396 175.510 -0.416 0.000 1.277 489 N CA -0.673 51.993 53.050 -0.639 0.000 0.933 489 N CB 0.577 38.186 38.487 -1.463 0.000 1.190 489 N HN 0.225 nan 8.380 nan 0.000 0.600 490 S N -1.069 114.403 115.700 -0.380 0.000 2.578 490 S HA 0.379 4.846 4.470 -0.004 0.000 0.228 490 S C 0.504 174.977 174.600 -0.213 0.000 1.022 490 S CA -0.388 57.563 58.200 -0.415 0.000 0.967 490 S CB 0.078 63.114 63.200 -0.274 0.000 0.914 490 S HN 0.486 nan 8.310 nan 0.000 0.515 491 I N 2.217 122.707 120.570 -0.134 0.000 2.377 491 I HA 0.315 4.482 4.170 -0.004 0.000 0.293 491 I C -0.407 175.652 176.117 -0.097 0.000 0.987 491 I CA -0.839 60.400 61.300 -0.102 0.000 1.185 491 I CB 1.654 39.535 38.000 -0.198 0.000 1.341 491 I HN -0.168 nan 8.210 nan 0.000 0.455 492 V N 7.129 126.973 119.914 -0.117 0.000 2.572 492 V HA 0.179 4.296 4.120 -0.004 0.000 0.291 492 V C 0.407 176.244 176.094 -0.428 0.000 1.039 492 V CA -0.248 61.898 62.300 -0.258 0.000 1.055 492 V CB 0.266 32.005 31.823 -0.139 0.000 0.969 492 V HN 0.604 nan 8.190 nan 0.000 0.482 493 R N 4.489 124.797 120.500 -0.319 0.000 2.443 493 R HA 0.416 4.754 4.340 -0.004 0.000 0.287 493 R C -0.217 175.994 176.300 -0.148 0.000 1.425 493 R CA -0.160 55.788 56.100 -0.253 0.000 1.300 493 R CB 1.146 31.319 30.300 -0.212 0.000 1.129 493 R HN 0.670 nan 8.270 nan 0.000 0.577 494 V N -0.962 118.892 119.914 -0.100 0.000 6.636 494 V HA 0.451 4.568 4.120 -0.004 0.000 0.271 494 V C 0.371 176.429 176.094 -0.061 0.000 1.655 494 V CA -0.797 61.505 62.300 0.004 0.000 0.583 494 V CB -0.342 31.511 31.823 0.050 0.000 1.526 494 V HN 0.367 nan 8.190 nan 0.000 0.370 495 Y N 1.912 121.958 120.300 -0.423 0.000 2.810 495 Y HA 0.166 4.714 4.550 -0.004 0.000 0.332 495 Y C 0.989 176.554 175.900 -0.558 0.000 1.243 495 Y CA 1.195 58.744 58.100 -0.918 0.000 1.537 495 Y CB -1.302 36.330 38.460 -1.379 0.000 1.265 495 Y HN 0.807 nan 8.280 nan 0.000 0.572 496 H N 1.065 119.519 119.070 -1.027 0.000 2.999 496 H HA -0.158 4.395 4.556 -0.005 0.000 0.262 496 H C 0.064 175.100 175.328 -0.487 0.000 1.240 496 H CA 0.234 55.761 56.048 -0.868 0.000 1.115 496 H CB -1.427 27.940 29.762 -0.659 0.000 1.274 496 H HN 0.555 nan 8.280 nan 0.000 0.358 497 S N 0.549 116.079 115.700 -0.283 0.000 2.654 497 S HA 0.747 5.214 4.470 -0.004 0.000 0.283 497 S C 0.183 174.673 174.600 -0.183 0.000 1.180 497 S CA -0.435 57.651 58.200 -0.190 0.000 1.021 497 S CB 2.474 65.586 63.200 -0.147 0.000 1.018 497 S HN 0.420 nan 8.310 nan 0.000 0.532 498 I N -2.066 118.434 120.570 -0.117 0.000 2.969 498 I HA 0.869 5.036 4.170 -0.004 0.000 0.307 498 I C -0.713 175.422 176.117 0.029 0.000 1.149 498 I CA -0.790 60.470 61.300 -0.067 0.000 1.008 498 I CB 2.151 40.114 38.000 -0.063 0.000 1.232 498 I HN 0.547 nan 8.210 nan 0.000 0.435 499 S N 3.588 119.334 115.700 0.076 0.000 2.546 499 S HA 0.839 5.307 4.470 -0.004 0.000 0.272 499 S C -1.019 173.693 174.600 0.187 0.000 1.140 499 S CA -0.564 57.740 58.200 0.173 0.000 0.920 499 S CB 1.421 64.736 63.200 0.192 0.000 1.083 499 S HN 0.583 nan 8.310 nan 0.000 0.476 500 L N 2.532 123.913 121.223 0.263 0.000 2.434 500 L HA 0.577 4.914 4.340 -0.004 0.000 0.260 500 L C -1.230 175.782 176.870 0.236 0.000 0.983 500 L CA -0.962 54.012 54.840 0.222 0.000 0.820 500 L CB 1.855 44.035 42.059 0.202 0.000 1.361 500 L HN 0.483 nan 8.230 nan 0.000 0.410 501 L N 3.035 124.368 121.223 0.184 0.000 2.290 501 L HA 0.449 4.786 4.340 -0.004 0.000 0.284 501 L C -0.642 176.335 176.870 0.178 0.000 1.078 501 L CA 0.334 55.274 54.840 0.167 0.000 0.815 501 L CB 0.747 42.881 42.059 0.125 0.000 1.162 501 L HN 0.389 nan 8.230 nan 0.000 0.435 502 L N 6.980 128.323 121.223 0.199 0.000 2.399 502 L HA 0.371 4.708 4.340 -0.004 0.000 0.266 502 L C -1.338 175.659 176.870 0.212 0.000 1.114 502 L CA -1.624 53.337 54.840 0.201 0.000 0.804 502 L CB 0.762 42.957 42.059 0.227 0.000 1.146 502 L HN 0.513 nan 8.230 nan 0.000 0.451 503 P HA -0.160 nan 4.420 nan 0.000 0.221 503 P C 0.390 177.790 177.300 0.166 0.000 1.145 503 P CA 0.962 64.135 63.100 0.121 0.000 0.795 503 P CB 0.021 31.774 31.700 0.089 0.000 0.775 504 D N -2.268 118.233 120.400 0.170 0.000 2.349 504 D HA 0.107 4.744 4.640 -0.004 0.000 0.224 504 D C 1.384 177.811 176.300 0.212 0.000 1.029 504 D CA 0.511 54.607 54.000 0.160 0.000 0.879 504 D CB -0.992 39.860 40.800 0.087 0.000 0.906 504 D HN 0.169 nan 8.370 nan 0.000 0.528 505 G N -0.133 108.835 108.800 0.279 0.000 2.176 505 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.253 505 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.253 505 G C 0.335 175.303 174.900 0.113 0.000 0.979 505 G CA -0.007 45.172 45.100 0.132 0.000 0.641 505 G HN 0.475 nan 8.290 nan 0.000 0.530 506 R N -0.826 119.726 120.500 0.086 0.000 2.607 506 R HA 0.680 5.017 4.340 -0.004 0.000 0.261 506 R C -0.097 176.237 176.300 0.057 0.000 1.051 506 R CA -0.622 55.480 56.100 0.003 0.000 1.110 506 R CB 1.575 31.886 30.300 0.017 0.000 1.158 506 R HN 0.086 nan 8.270 nan 0.000 0.543 507 V N 1.758 121.671 119.914 -0.001 0.000 2.513 507 V HA 0.308 4.425 4.120 -0.004 0.000 0.299 507 V C -0.849 175.371 176.094 0.211 0.000 1.035 507 V CA -0.625 61.730 62.300 0.091 0.000 0.889 507 V CB 1.386 33.177 31.823 -0.052 0.000 0.988 507 V HN 0.512 nan 8.190 nan 0.000 0.440 508 F N 5.206 125.235 119.950 0.133 0.000 2.361 508 F HA 0.473 4.995 4.527 -0.007 0.000 0.364 508 F C 0.147 176.041 175.800 0.157 0.000 1.117 508 F CA -0.166 57.914 58.000 0.134 0.000 1.071 508 F CB 0.647 39.741 39.000 0.156 0.000 1.188 508 F HN 0.585 nan 8.300 nan 0.000 0.464 509 N N 4.590 123.233 118.700 -0.096 0.000 2.399 509 N HA 0.671 5.409 4.740 -0.004 0.000 0.280 509 N C -0.799 174.564 175.510 -0.246 0.000 1.008 509 N CA -0.262 52.794 53.050 0.010 0.000 0.894 509 N CB 1.670 40.360 38.487 0.339 0.000 1.273 509 N HN 0.861 nan 8.380 nan 0.000 0.486 510 G N 0.958 109.630 108.800 -0.212 0.000 2.749 510 G HA2 0.706 4.664 3.960 -0.004 0.000 0.300 510 G HA3 0.706 4.664 3.960 -0.004 0.000 0.300 510 G C -0.178 174.641 174.900 -0.136 0.000 1.352 510 G CA -0.059 44.903 45.100 -0.229 0.000 0.789 510 G HN 0.875 nan 8.290 nan 0.000 0.509 511 G N -1.603 107.134 108.800 -0.106 0.000 2.632 511 G HA2 0.532 4.490 3.960 -0.004 0.000 0.224 511 G HA3 0.532 4.490 3.960 -0.004 0.000 0.224 511 G C 0.768 175.625 174.900 -0.071 0.000 1.341 511 G CA 1.024 46.070 45.100 -0.090 0.000 0.880 511 G HN 2.995 nan 8.290 nan 0.000 0.566 512 G N -2.152 106.615 108.800 -0.056 0.000 3.233 512 G HA2 0.577 4.535 3.960 -0.004 0.000 0.686 512 G HA3 0.577 4.535 3.960 -0.004 0.000 0.686 512 G C 0.905 175.878 174.900 0.121 0.000 1.153 512 G CA 0.610 45.718 45.100 0.014 0.000 0.853 512 G HN 3.190 nan 8.290 nan 0.000 0.582 513 G N 0.658 109.553 108.800 0.160 0.000 2.785 513 G HA2 0.389 4.347 3.960 -0.004 0.000 0.218 513 G HA3 0.389 4.347 3.960 -0.004 0.000 0.218 513 G C 0.375 175.532 174.900 0.429 0.000 1.251 513 G CA 0.555 45.810 45.100 0.257 0.000 1.129 513 G HN 2.563 nan 8.290 nan 0.000 0.573 514 L N -0.666 120.631 121.223 0.124 0.000 3.386 514 L HA -0.161 4.177 4.340 -0.004 0.000 0.686 514 L C 1.083 178.004 176.870 0.085 0.000 1.220 514 L CA 1.510 56.375 54.840 0.041 0.000 1.165 514 L CB -1.134 40.882 42.059 -0.073 0.000 1.730 514 L HN 1.893 nan 8.230 nan 0.000 0.889 515 C N -0.507 118.709 119.300 -0.141 0.000 3.772 515 C HA 0.830 5.287 4.460 -0.004 0.000 0.293 515 C C 1.717 176.539 174.990 -0.280 0.000 1.659 515 C CA -0.122 58.662 59.018 -0.391 0.000 1.810 515 C CB -0.385 26.953 27.740 -0.669 0.000 3.059 515 C HN 1.861 nan 8.230 nan 0.000 0.617 516 G N 3.135 111.821 108.800 -0.189 0.000 2.669 516 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.250 516 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.250 516 G C 0.183 175.023 174.900 -0.101 0.000 1.247 516 G CA 0.858 45.867 45.100 -0.152 0.000 0.958 516 G HN 0.614 nan 8.290 nan 0.000 0.559 517 D N 1.530 121.874 120.400 -0.094 0.000 2.358 517 D HA 0.184 4.822 4.640 -0.004 0.000 0.241 517 D C 1.585 177.854 176.300 -0.053 0.000 1.094 517 D CA 0.820 54.782 54.000 -0.062 0.000 0.907 517 D CB -1.479 39.287 40.800 -0.057 0.000 0.893 517 D HN 1.037 nan 8.370 nan 0.000 0.528 518 C N -0.395 118.865 119.300 -0.068 0.000 2.656 518 C HA 0.527 4.985 4.460 -0.004 0.000 0.391 518 C C 1.945 176.911 174.990 -0.040 0.000 1.300 518 C CA -0.055 58.932 59.018 -0.052 0.000 2.302 518 C CB 0.456 28.158 27.740 -0.062 0.000 2.655 518 C HN 0.381 nan 8.230 nan 0.000 0.656 519 T N -2.743 111.786 114.554 -0.041 0.000 3.107 519 T HA 0.047 4.395 4.350 -0.004 0.000 0.249 519 T C 0.943 175.569 174.700 -0.123 0.000 1.096 519 T CA 0.793 62.850 62.100 -0.070 0.000 1.012 519 T CB -0.813 68.015 68.868 -0.067 0.000 0.977 519 T HN 1.007 nan 8.240 nan 0.000 0.527 520 T N -0.510 113.987 114.554 -0.094 0.000 3.186 520 T HA 0.248 4.595 4.350 -0.004 0.000 0.257 520 T C 0.250 174.816 174.700 -0.225 0.000 1.029 520 T CA -0.752 61.268 62.100 -0.133 0.000 0.916 520 T CB -0.369 68.521 68.868 0.036 0.000 1.041 520 T HN 0.114 nan 8.240 nan 0.000 0.562 521 N N 3.046 121.605 118.700 -0.236 0.000 2.430 521 N HA 0.116 4.854 4.740 -0.004 0.000 0.265 521 N C -0.707 174.569 175.510 -0.391 0.000 1.100 521 N CA -0.067 52.807 53.050 -0.292 0.000 0.961 521 N CB 0.378 38.681 38.487 -0.308 0.000 1.075 521 N HN 0.448 nan 8.380 nan 0.000 0.478 522 H N 2.845 121.808 119.070 -0.179 0.000 2.690 522 H HA 0.158 4.712 4.556 -0.004 0.000 0.280 522 H C 0.029 175.297 175.328 -0.101 0.000 1.138 522 H CA -0.331 55.674 56.048 -0.073 0.000 1.241 522 H CB 0.127 29.849 29.762 -0.067 0.000 1.394 522 H HN 0.430 nan 8.280 nan 0.000 0.489 523 F N 3.028 123.043 119.950 0.108 0.000 2.859 523 F HA 0.038 4.562 4.527 -0.006 0.000 0.315 523 F C 0.345 176.235 175.800 0.150 0.000 1.207 523 F CA -0.233 57.840 58.000 0.121 0.000 1.370 523 F CB -0.251 38.835 39.000 0.143 0.000 1.314 523 F HN 0.531 nan 8.300 nan 0.000 0.555 524 D N -0.574 119.956 120.400 0.217 0.000 2.692 524 D HA 0.753 5.391 4.640 -0.004 0.000 0.303 524 D C -1.255 175.018 176.300 -0.045 0.000 1.278 524 D CA -1.024 53.048 54.000 0.120 0.000 0.852 524 D CB 1.243 42.138 40.800 0.159 0.000 1.375 524 D HN -0.002 nan 8.370 nan 0.000 0.453 525 A N -0.698 122.019 122.820 -0.171 0.000 2.606 525 A HA 0.722 5.039 4.320 -0.004 0.000 0.293 525 A C -1.517 175.858 177.584 -0.349 0.000 1.082 525 A CA -0.755 51.023 52.037 -0.433 0.000 0.685 525 A CB 1.810 20.215 19.000 -0.992 0.000 1.284 525 A HN 0.464 nan 8.150 nan 0.000 0.408 526 Q N 0.364 119.991 119.800 -0.289 0.000 2.423 526 Q HA 0.561 4.898 4.340 -0.004 0.000 0.278 526 Q C -1.285 174.745 176.000 0.051 0.000 1.097 526 Q CA -0.947 54.849 55.803 -0.012 0.000 0.809 526 Q CB 2.354 31.234 28.738 0.236 0.000 1.391 526 Q HN 0.614 nan 8.270 nan 0.000 0.428 527 I N 1.772 122.416 120.570 0.124 0.000 2.359 527 I HA 0.334 4.501 4.170 -0.004 0.000 0.294 527 I C -0.640 175.495 176.117 0.030 0.000 0.987 527 I CA -0.398 60.957 61.300 0.093 0.000 1.225 527 I CB 0.560 38.615 38.000 0.092 0.000 1.366 527 I HN 0.544 nan 8.210 nan 0.000 0.466 528 F N 5.274 124.978 119.950 -0.410 0.000 2.444 528 F HA 0.472 4.999 4.527 0.001 0.000 0.342 528 F C -0.048 175.419 175.800 -0.556 0.000 1.121 528 F CA -0.280 57.197 58.000 -0.872 0.000 0.997 528 F CB 1.391 39.439 39.000 -1.587 0.000 1.130 528 F HN 0.356 nan 8.300 nan 0.000 0.454 529 T N 8.201 122.106 114.554 -1.083 0.000 2.770 529 T HA 0.363 4.710 4.350 -0.004 0.000 0.297 529 T C -2.589 171.390 174.700 -1.201 0.000 0.997 529 T CA -1.287 60.329 62.100 -0.806 0.000 0.949 529 T CB 1.100 69.731 68.868 -0.395 0.000 0.941 529 T HN 0.321 nan 8.240 nan 0.000 0.457 530 P HA 0.192 nan 4.420 nan 0.000 0.272 530 P C 0.884 177.804 177.300 -0.633 0.000 1.240 530 P CA -0.453 62.046 63.100 -1.002 0.000 0.791 530 P CB 0.628 31.550 31.700 -1.297 0.000 0.978 531 N N 1.061 119.539 118.700 -0.371 0.000 2.272 531 N HA -0.233 4.504 4.740 -0.004 0.000 0.185 531 N C 1.386 176.865 175.510 -0.051 0.000 1.014 531 N CA 1.440 54.438 53.050 -0.086 0.000 0.870 531 N CB -0.728 37.714 38.487 -0.075 0.000 0.975 531 N HN 0.470 nan 8.380 nan 0.000 0.433 532 Y N -1.061 119.179 120.300 -0.100 0.000 2.574 532 Y HA 0.129 4.673 4.550 -0.009 0.000 0.294 532 Y C 1.320 177.122 175.900 -0.163 0.000 1.142 532 Y CA 0.336 58.364 58.100 -0.121 0.000 1.314 532 Y CB -0.817 37.562 38.460 -0.134 0.000 0.991 532 Y HN 0.079 nan 8.280 nan 0.000 0.555 533 L N -0.918 120.301 121.223 -0.007 0.000 2.607 533 L HA 0.183 4.521 4.340 -0.004 0.000 0.228 533 L C -0.613 175.988 176.870 -0.448 0.000 1.123 533 L CA -0.102 54.600 54.840 -0.229 0.000 0.890 533 L CB -0.078 41.756 42.059 -0.375 0.000 1.103 533 L HN 0.089 nan 8.230 nan 0.000 0.468 534 Y N -0.582 119.685 120.300 -0.054 0.000 2.468 534 Y HA 0.327 4.880 4.550 0.005 0.000 0.342 534 Y C 0.551 176.428 175.900 -0.037 0.000 1.021 534 Y CA -1.003 57.062 58.100 -0.059 0.000 1.079 534 Y CB 0.979 39.384 38.460 -0.091 0.000 1.226 534 Y HN -0.103 nan 8.280 nan 0.000 0.460 535 N N -0.241 118.550 118.700 0.151 0.000 2.405 535 N HA 0.037 4.774 4.740 -0.004 0.000 0.269 535 N C 0.966 176.513 175.510 0.062 0.000 1.249 535 N CA 0.512 53.608 53.050 0.076 0.000 0.974 535 N CB 1.373 39.893 38.487 0.054 0.000 1.204 535 N HN 0.720 nan 8.380 nan 0.000 0.565 536 S N 0.172 115.891 115.700 0.032 0.000 2.547 536 S HA -0.000 4.467 4.470 -0.004 0.000 0.235 536 S C 0.763 175.369 174.600 0.009 0.000 0.980 536 S CA 0.571 58.780 58.200 0.015 0.000 0.941 536 S CB -0.134 63.070 63.200 0.008 0.000 0.763 536 S HN 0.489 nan 8.310 nan 0.000 0.532 537 N N 1.262 119.973 118.700 0.018 0.000 2.373 537 N HA 0.206 4.944 4.740 -0.004 0.000 0.181 537 N C 1.285 176.797 175.510 0.004 0.000 1.082 537 N CA 0.804 53.861 53.050 0.012 0.000 0.885 537 N CB 0.325 38.824 38.487 0.019 0.000 0.977 537 N HN 0.653 nan 8.380 nan 0.000 0.462 538 G N 0.532 109.337 108.800 0.009 0.000 2.141 538 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.231 538 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.231 538 G C -0.134 174.789 174.900 0.038 0.000 0.984 538 G CA -0.317 44.755 45.100 -0.046 0.000 0.660 538 G HN 0.262 nan 8.290 nan 0.000 0.525 539 N N -0.298 118.482 118.700 0.134 0.000 2.459 539 N HA 0.558 5.296 4.740 -0.004 0.000 0.288 539 N C 0.507 176.163 175.510 0.243 0.000 1.186 539 N CA -0.691 52.465 53.050 0.176 0.000 0.917 539 N CB 0.990 39.529 38.487 0.086 0.000 1.219 539 N HN 0.158 nan 8.380 nan 0.000 0.525 540 L N 1.528 122.836 121.223 0.143 0.000 2.562 540 L HA 0.113 4.450 4.340 -0.004 0.000 0.271 540 L C 1.036 177.889 176.870 -0.027 0.000 1.167 540 L CA -0.235 54.582 54.840 -0.039 0.000 0.917 540 L CB -0.066 41.951 42.059 -0.070 0.000 1.187 540 L HN 0.502 nan 8.230 nan 0.000 0.482 541 A N 3.396 126.182 122.820 -0.056 0.000 2.406 541 A HA 0.309 4.626 4.320 -0.004 0.000 0.243 541 A C 0.446 178.011 177.584 -0.032 0.000 1.082 541 A CA -0.331 51.691 52.037 -0.026 0.000 0.786 541 A CB 0.133 19.120 19.000 -0.021 0.000 1.029 541 A HN 0.663 nan 8.150 nan 0.000 0.495 542 T N 2.721 117.265 114.554 -0.015 0.000 2.799 542 T HA 0.275 4.623 4.350 -0.004 0.000 0.296 542 T C 0.334 175.023 174.700 -0.017 0.000 0.947 542 T CA 0.361 62.453 62.100 -0.013 0.000 1.141 542 T CB -0.097 68.769 68.868 -0.004 0.000 0.891 542 T HN 0.565 nan 8.240 nan 0.000 0.533 543 R N 4.325 124.814 120.500 -0.018 0.000 2.368 543 R HA 0.365 4.703 4.340 -0.004 0.000 0.302 543 R C -2.268 174.027 176.300 -0.008 0.000 1.002 543 R CA -1.941 54.149 56.100 -0.018 0.000 0.929 543 R CB 0.648 30.938 30.300 -0.016 0.000 1.073 543 R HN 0.441 nan 8.270 nan 0.000 0.464 544 P HA 0.073 nan 4.420 nan 0.000 0.271 544 P C -1.106 176.197 177.300 0.006 0.000 1.218 544 P CA -0.115 62.985 63.100 -0.000 0.000 0.780 544 P CB 0.883 32.578 31.700 -0.009 0.000 0.901 545 K N 2.126 122.535 120.400 0.014 0.000 2.221 545 K HA 0.515 4.832 4.320 -0.004 0.000 0.258 545 K C -0.094 176.521 176.600 0.025 0.000 0.944 545 K CA -0.828 55.467 56.287 0.014 0.000 0.823 545 K CB 1.652 34.160 32.500 0.012 0.000 1.113 545 K HN 0.398 nan 8.250 nan 0.000 0.431 546 I N 3.313 123.895 120.570 0.021 0.000 2.294 546 I HA -0.023 4.144 4.170 -0.004 0.000 0.295 546 I C 1.534 177.669 176.117 0.030 0.000 1.098 546 I CA -0.119 61.203 61.300 0.036 0.000 1.277 546 I CB 0.805 38.822 38.000 0.029 0.000 1.434 546 I HN 0.835 nan 8.210 nan 0.000 0.498 547 T N 3.017 117.593 114.554 0.037 0.000 2.985 547 T HA 0.031 4.378 4.350 -0.004 0.000 0.266 547 T C 0.900 175.613 174.700 0.023 0.000 1.076 547 T CA 0.459 62.575 62.100 0.027 0.000 1.135 547 T CB 0.249 69.133 68.868 0.027 0.000 0.890 547 T HN 0.564 nan 8.240 nan 0.000 0.480 548 R N 0.542 121.061 120.500 0.031 0.000 2.629 548 R HA 0.470 4.808 4.340 -0.004 0.000 0.266 548 R C -1.716 174.602 176.300 0.030 0.000 1.051 548 R CA -0.408 55.706 56.100 0.023 0.000 0.895 548 R CB 1.919 32.227 30.300 0.014 0.000 1.246 548 R HN 0.336 nan 8.270 nan 0.000 0.459 549 T N -0.797 113.769 114.554 0.019 0.000 2.893 549 T HA 0.231 4.578 4.350 -0.004 0.000 0.293 549 T C 0.890 175.585 174.700 -0.009 0.000 1.027 549 T CA -0.354 61.755 62.100 0.014 0.000 0.988 549 T CB 1.769 70.653 68.868 0.026 0.000 1.043 549 T HN 0.584 nan 8.240 nan 0.000 0.461 550 S N 1.261 116.940 115.700 -0.034 0.000 2.406 550 S HA 0.175 4.642 4.470 -0.004 0.000 0.228 550 S C 0.932 175.508 174.600 -0.039 0.000 1.020 550 S CA 0.826 58.999 58.200 -0.045 0.000 0.965 550 S CB -0.325 62.831 63.200 -0.073 0.000 0.798 550 S HN 1.146 nan 8.310 nan 0.000 0.488 551 T N -0.767 113.764 114.554 -0.038 0.000 2.840 551 T HA 0.369 4.716 4.350 -0.004 0.000 0.317 551 T C -0.842 173.856 174.700 -0.003 0.000 1.401 551 T CA -0.632 61.453 62.100 -0.024 0.000 1.028 551 T CB 1.774 70.618 68.868 -0.039 0.000 1.317 551 T HN 0.139 nan 8.240 nan 0.000 0.495 552 Q N 0.711 120.520 119.800 0.015 0.000 2.378 552 Q HA 0.309 4.647 4.340 -0.004 0.000 0.216 552 Q C 0.152 176.182 176.000 0.049 0.000 0.892 552 Q CA -0.062 55.769 55.803 0.045 0.000 0.931 552 Q CB 0.895 29.666 28.738 0.055 0.000 1.086 552 Q HN 0.429 nan 8.270 nan 0.000 0.528 553 S N 0.457 116.168 115.700 0.018 0.000 2.519 553 S HA 0.568 5.035 4.470 -0.004 0.000 0.309 553 S C -1.337 173.251 174.600 -0.019 0.000 1.100 553 S CA -0.546 57.655 58.200 0.003 0.000 1.059 553 S CB 1.571 64.767 63.200 -0.006 0.000 1.008 553 S HN 0.066 nan 8.310 nan 0.000 0.478 554 V N 5.276 125.174 119.914 -0.027 0.000 3.049 554 V HA 0.611 4.728 4.120 -0.004 0.000 0.309 554 V C -1.165 174.898 176.094 -0.051 0.000 1.148 554 V CA -0.821 61.450 62.300 -0.047 0.000 0.990 554 V CB 2.294 34.080 31.823 -0.062 0.000 1.039 554 V HN 0.934 nan 8.190 nan 0.000 0.430 555 K N 2.601 122.969 120.400 -0.054 0.000 2.087 555 K HA 0.601 4.919 4.320 -0.004 0.000 0.255 555 K C -0.569 175.994 176.600 -0.062 0.000 0.988 555 K CA -0.587 55.670 56.287 -0.051 0.000 0.915 555 K CB 1.811 34.284 32.500 -0.044 0.000 1.043 555 K HN 0.722 nan 8.250 nan 0.000 0.457 556 V N -0.478 119.401 119.914 -0.060 0.000 2.599 556 V HA 0.273 4.391 4.120 -0.004 0.000 0.300 556 V C 1.024 177.081 176.094 -0.060 0.000 1.034 556 V CA 0.657 62.916 62.300 -0.069 0.000 1.115 556 V CB -0.133 31.654 31.823 -0.061 0.000 0.934 556 V HN 1.078 nan 8.190 nan 0.000 0.485 557 G N 2.538 111.301 108.800 -0.062 0.000 2.213 557 G HA2 -0.090 3.867 3.960 -0.004 0.000 0.236 557 G HA3 -0.090 3.867 3.960 -0.004 0.000 0.236 557 G C 0.624 175.492 174.900 -0.053 0.000 0.991 557 G CA 0.026 45.095 45.100 -0.051 0.000 0.629 557 G HN 1.775 nan 8.290 nan 0.000 0.517 558 G N -0.323 108.439 108.800 -0.064 0.000 2.507 558 G HA2 0.592 4.550 3.960 -0.004 0.000 0.271 558 G HA3 0.592 4.550 3.960 -0.004 0.000 0.271 558 G C 0.010 174.845 174.900 -0.108 0.000 1.189 558 G CA -0.481 44.572 45.100 -0.078 0.000 0.859 558 G HN 0.445 nan 8.290 nan 0.000 0.542 559 R N -0.527 119.892 120.500 -0.135 0.000 2.598 559 R HA 0.582 4.919 4.340 -0.004 0.000 0.279 559 R C -0.590 175.526 176.300 -0.306 0.000 0.984 559 R CA -0.551 55.420 56.100 -0.215 0.000 0.999 559 R CB 1.631 31.835 30.300 -0.161 0.000 1.114 559 R HN 0.376 nan 8.270 nan 0.000 0.493 560 I N 0.839 121.074 120.570 -0.558 0.000 2.533 560 I HA 0.259 4.426 4.170 -0.004 0.000 0.290 560 I C -0.544 175.246 176.117 -0.546 0.000 1.056 560 I CA -0.585 60.369 61.300 -0.577 0.000 1.057 560 I CB 2.606 40.146 38.000 -0.767 0.000 1.240 560 I HN 0.460 nan 8.210 nan 0.000 0.423 561 T N 6.785 121.180 114.554 -0.265 0.000 2.779 561 T HA 0.674 5.022 4.350 -0.004 0.000 0.280 561 T C -0.300 174.370 174.700 -0.050 0.000 0.987 561 T CA -0.391 61.628 62.100 -0.136 0.000 0.966 561 T CB 1.126 69.940 68.868 -0.090 0.000 0.933 561 T HN 0.472 nan 8.240 nan 0.000 0.442 562 I N -0.565 120.033 120.570 0.046 0.000 2.846 562 I HA 0.875 5.042 4.170 -0.004 0.000 0.307 562 I C -0.522 175.669 176.117 0.124 0.000 1.053 562 I CA -0.876 60.487 61.300 0.105 0.000 1.050 562 I CB 2.425 40.541 38.000 0.193 0.000 1.239 562 I HN 0.363 nan 8.210 nan 0.000 0.439 563 S N 1.666 117.427 115.700 0.100 0.000 2.500 563 S HA 0.732 5.200 4.470 -0.004 0.000 0.301 563 S C -0.241 174.428 174.600 0.114 0.000 1.092 563 S CA -0.619 57.633 58.200 0.088 0.000 1.030 563 S CB 1.931 65.151 63.200 0.034 0.000 1.031 563 S HN 0.898 nan 8.310 nan 0.000 0.483 564 T N -1.587 113.055 114.554 0.146 0.000 2.926 564 T HA 0.490 4.838 4.350 -0.004 0.000 0.289 564 T C 0.171 174.924 174.700 0.089 0.000 1.054 564 T CA -0.770 61.406 62.100 0.127 0.000 1.015 564 T CB 1.269 70.240 68.868 0.172 0.000 1.167 564 T HN 0.501 nan 8.240 nan 0.000 0.526 565 D N -0.402 120.037 120.400 0.065 0.000 2.350 565 D HA 0.127 4.764 4.640 -0.004 0.000 0.213 565 D C 0.613 176.942 176.300 0.048 0.000 1.031 565 D CA 0.001 54.028 54.000 0.045 0.000 0.861 565 D CB -0.115 40.703 40.800 0.029 0.000 0.926 565 D HN 0.673 nan 8.370 nan 0.000 0.520 566 S N -1.004 114.737 115.700 0.068 0.000 2.625 566 S HA 0.466 4.933 4.470 -0.004 0.000 0.271 566 S C -0.508 174.159 174.600 0.110 0.000 1.161 566 S CA -0.706 57.534 58.200 0.067 0.000 0.820 566 S CB 1.180 64.403 63.200 0.039 0.000 1.137 566 S HN 0.183 nan 8.310 nan 0.000 0.470 567 S N 1.164 116.928 115.700 0.108 0.000 2.549 567 S HA 0.449 4.916 4.470 -0.004 0.000 0.286 567 S C -0.083 174.551 174.600 0.056 0.000 1.314 567 S CA -0.481 57.812 58.200 0.155 0.000 1.062 567 S CB -0.465 62.805 63.200 0.117 0.000 0.865 567 S HN 0.604 nan 8.310 nan 0.000 0.498 568 I N 2.957 123.504 120.570 -0.038 0.000 2.441 568 I HA 0.313 4.480 4.170 -0.004 0.000 0.295 568 I C 0.849 176.824 176.117 -0.237 0.000 0.994 568 I CA -0.452 60.686 61.300 -0.271 0.000 1.144 568 I CB 1.432 39.064 38.000 -0.614 0.000 1.314 568 I HN 0.822 nan 8.210 nan 0.000 0.445 569 S N 4.256 119.861 115.700 -0.159 0.000 2.452 569 S HA 0.237 4.704 4.470 -0.004 0.000 0.225 569 S C 0.590 175.117 174.600 -0.122 0.000 1.057 569 S CA 0.432 58.570 58.200 -0.104 0.000 0.949 569 S CB 0.599 63.760 63.200 -0.065 0.000 0.836 569 S HN 0.533 nan 8.310 nan 0.000 0.518 570 K N 0.100 120.416 120.400 -0.139 0.000 2.443 570 K HA 0.794 5.111 4.320 -0.004 0.000 0.251 570 K C -1.429 175.077 176.600 -0.156 0.000 0.972 570 K CA -0.664 55.546 56.287 -0.129 0.000 0.833 570 K CB 2.373 34.815 32.500 -0.096 0.000 1.317 570 K HN 0.207 nan 8.250 nan 0.000 0.441 571 A N 0.637 123.365 122.820 -0.153 0.000 2.572 571 A HA 0.724 5.042 4.320 -0.004 0.000 0.295 571 A C -1.271 176.215 177.584 -0.162 0.000 1.072 571 A CA -0.649 51.283 52.037 -0.176 0.000 0.691 571 A CB 1.673 20.515 19.000 -0.262 0.000 1.291 571 A HN 0.674 nan 8.150 nan 0.000 0.404 572 S N 0.225 115.857 115.700 -0.112 0.000 2.579 572 S HA 0.777 5.245 4.470 -0.004 0.000 0.272 572 S C -1.620 172.991 174.600 0.017 0.000 1.141 572 S CA -0.636 57.535 58.200 -0.047 0.000 0.843 572 S CB 1.463 64.674 63.200 0.020 0.000 1.122 572 S HN 1.085 nan 8.310 nan 0.000 0.468 573 L N 2.286 123.552 121.223 0.072 0.000 2.319 573 L HA 0.623 4.960 4.340 -0.004 0.000 0.281 573 L C -1.173 175.994 176.870 0.494 0.000 1.005 573 L CA -0.738 54.233 54.840 0.219 0.000 0.828 573 L CB 1.289 43.366 42.059 0.031 0.000 1.227 573 L HN 0.728 nan 8.230 nan 0.000 0.415 574 I N 4.362 125.209 120.570 0.462 0.000 2.389 574 I HA 0.391 4.559 4.170 -0.004 0.000 0.288 574 I C 0.336 176.480 176.117 0.045 0.000 0.999 574 I CA -0.679 60.792 61.300 0.286 0.000 1.129 574 I CB 1.523 39.657 38.000 0.224 0.000 1.288 574 I HN 0.576 nan 8.210 nan 0.000 0.444 575 R N 4.722 124.973 120.500 -0.414 0.000 2.442 575 R HA 0.178 4.515 4.340 -0.004 0.000 0.291 575 R C -0.856 175.273 176.300 -0.285 0.000 1.069 575 R CA -0.240 55.349 56.100 -0.851 0.000 1.022 575 R CB 0.489 29.957 30.300 -1.386 0.000 0.976 575 R HN 0.340 nan 8.270 nan 0.000 0.443 576 Y N 1.435 121.628 120.300 -0.177 0.000 2.712 576 Y HA 0.071 4.616 4.550 -0.009 0.000 0.333 576 Y C 1.295 177.175 175.900 -0.032 0.000 1.225 576 Y CA 1.264 59.342 58.100 -0.037 0.000 1.499 576 Y CB 0.756 39.218 38.460 0.003 0.000 1.288 576 Y HN 0.699 nan 8.280 nan 0.000 0.575 577 G N 1.077 109.981 108.800 0.174 0.000 2.488 577 G HA2 0.606 4.563 3.960 -0.004 0.000 0.318 577 G HA3 0.606 4.563 3.960 -0.004 0.000 0.318 577 G C -0.893 174.073 174.900 0.110 0.000 1.188 577 G CA -0.595 44.573 45.100 0.112 0.000 0.944 577 G HN 0.630 nan 8.290 nan 0.000 0.495 578 T N -3.065 111.533 114.554 0.073 0.000 2.916 578 T HA 0.781 5.128 4.350 -0.004 0.000 0.305 578 T C -0.645 174.055 174.700 0.001 0.000 1.119 578 T CA -0.371 61.762 62.100 0.055 0.000 1.008 578 T CB 1.985 70.911 68.868 0.096 0.000 1.129 578 T HN 1.736 nan 8.240 nan 0.000 0.480 579 A N 1.265 124.046 122.820 -0.065 0.000 2.547 579 A HA 0.903 5.221 4.320 -0.004 0.000 0.297 579 A C -0.427 177.033 177.584 -0.206 0.000 1.056 579 A CA -0.800 51.172 52.037 -0.110 0.000 0.688 579 A CB 1.933 20.891 19.000 -0.070 0.000 1.282 579 A HN 1.282 nan 8.150 nan 0.000 0.400 580 T N 0.320 114.753 114.554 -0.201 0.000 3.225 580 T HA 0.488 4.835 4.350 -0.004 0.000 0.356 580 T C -0.694 173.876 174.700 -0.216 0.000 1.460 580 T CA -0.089 61.872 62.100 -0.231 0.000 1.126 580 T CB 0.251 69.003 68.868 -0.193 0.000 1.321 580 T HN 1.527 nan 8.240 nan 0.000 0.478 581 H N 2.256 121.026 119.070 -0.501 0.000 2.690 581 H HA -0.226 4.327 4.556 -0.004 0.000 0.309 581 H C 1.327 176.303 175.328 -0.587 0.000 1.138 581 H CA 2.678 58.334 56.048 -0.653 0.000 1.142 581 H CB -1.950 27.191 29.762 -1.035 0.000 1.410 581 H HN 1.372 nan 8.280 nan 0.000 0.409 582 T N -6.387 107.979 114.554 -0.313 0.000 5.979 582 T HA -0.255 4.092 4.350 -0.004 0.000 0.273 582 T C 0.283 174.825 174.700 -0.262 0.000 2.195 582 T CA 0.699 62.627 62.100 -0.286 0.000 3.693 582 T CB -2.143 66.545 68.868 -0.300 0.000 0.944 582 T HN 0.472 nan 8.240 nan 0.000 1.117 583 V N 2.327 122.101 119.914 -0.234 0.000 2.465 583 V HA 0.732 4.849 4.120 -0.004 0.000 0.279 583 V C 0.370 176.386 176.094 -0.129 0.000 1.045 583 V CA -0.319 61.881 62.300 -0.166 0.000 0.938 583 V CB 1.527 33.277 31.823 -0.122 0.000 0.986 583 V HN 0.605 nan 8.190 nan 0.000 0.467 584 N N 2.635 121.264 118.700 -0.118 0.000 2.653 584 N HA 0.130 4.867 4.740 -0.004 0.000 0.261 584 N C 0.524 175.984 175.510 -0.084 0.000 1.216 584 N CA 0.170 53.181 53.050 -0.065 0.000 0.784 584 N CB 1.917 40.387 38.487 -0.027 0.000 1.327 584 N HN 0.744 nan 8.380 nan 0.000 0.539 585 T N -1.770 112.734 114.554 -0.083 0.000 3.081 585 T HA 0.132 4.480 4.350 -0.004 0.000 0.250 585 T C 0.707 175.405 174.700 -0.003 0.000 1.100 585 T CA 0.499 62.524 62.100 -0.125 0.000 1.038 585 T CB 0.378 69.184 68.868 -0.103 0.000 0.962 585 T HN 0.161 nan 8.240 nan 0.000 0.516 586 D N 1.854 122.270 120.400 0.027 0.000 2.216 586 D HA 0.008 4.645 4.640 -0.004 0.000 0.208 586 D C 1.287 177.588 176.300 0.002 0.000 0.960 586 D CA 0.434 54.456 54.000 0.038 0.000 0.861 586 D CB 0.007 40.839 40.800 0.054 0.000 0.985 586 D HN 0.733 nan 8.370 nan 0.000 0.493 587 Q N 1.528 121.346 119.800 0.030 0.000 2.373 587 Q HA 0.285 4.623 4.340 -0.004 0.000 0.255 587 Q C -0.182 175.870 176.000 0.087 0.000 0.980 587 Q CA -0.203 55.614 55.803 0.023 0.000 0.882 587 Q CB 0.964 29.744 28.738 0.070 0.000 1.249 587 Q HN 0.061 nan 8.270 nan 0.000 0.438 588 R N 0.266 120.792 120.500 0.043 0.000 2.825 588 R HA 0.452 4.789 4.340 -0.004 0.000 0.274 588 R C -1.838 174.564 176.300 0.170 0.000 1.026 588 R CA -1.078 55.109 56.100 0.144 0.000 0.867 588 R CB 1.113 31.542 30.300 0.215 0.000 1.268 588 R HN 0.798 nan 8.270 nan 0.000 0.491 589 R N 2.007 122.652 120.500 0.242 0.000 2.686 589 R HA 0.593 4.930 4.340 -0.004 0.000 0.286 589 R C -1.193 175.275 176.300 0.280 0.000 0.969 589 R CA -0.743 55.524 56.100 0.279 0.000 0.898 589 R CB 1.714 32.136 30.300 0.203 0.000 1.183 589 R HN 0.704 nan 8.270 nan 0.000 0.456 590 I N 5.606 126.345 120.570 0.281 0.000 2.410 590 I HA 0.354 4.521 4.170 -0.004 0.000 0.286 590 I C -2.277 173.871 176.117 0.051 0.000 1.009 590 I CA -2.592 58.793 61.300 0.141 0.000 1.111 590 I CB 2.422 40.449 38.000 0.046 0.000 1.262 590 I HN 0.432 nan 8.210 nan 0.000 0.443 591 P HA 0.295 nan 4.420 nan 0.000 0.281 591 P C -0.949 176.320 177.300 -0.052 0.000 1.252 591 P CA -0.228 62.867 63.100 -0.008 0.000 0.778 591 P CB 0.652 32.361 31.700 0.015 0.000 0.895 592 L N 2.921 124.075 121.223 -0.115 0.000 2.289 592 L HA 0.391 4.728 4.340 -0.004 0.000 0.285 592 L C 0.713 177.543 176.870 -0.067 0.000 1.049 592 L CA -0.513 54.238 54.840 -0.149 0.000 0.804 592 L CB 0.986 42.799 42.059 -0.410 0.000 1.195 592 L HN 0.347 nan 8.230 nan 0.000 0.428 593 T N 1.818 116.372 114.554 0.000 0.000 2.723 593 T HA 0.516 4.863 4.350 -0.004 0.000 0.297 593 T C -0.151 174.599 174.700 0.083 0.000 0.925 593 T CA -0.641 61.479 62.100 0.033 0.000 1.030 593 T CB 0.056 68.947 68.868 0.038 0.000 0.905 593 T HN 0.277 nan 8.240 nan 0.000 0.502 594 L N 3.260 124.529 121.223 0.076 0.000 2.334 594 L HA 0.461 4.798 4.340 -0.004 0.000 0.277 594 L C 0.662 177.625 176.870 0.154 0.000 1.075 594 L CA -0.683 54.243 54.840 0.143 0.000 0.804 594 L CB 1.246 43.366 42.059 0.103 0.000 1.174 594 L HN 0.634 nan 8.230 nan 0.000 0.438 595 T N 1.640 116.306 114.554 0.185 0.000 2.770 595 T HA 0.189 4.536 4.350 -0.004 0.000 0.283 595 T C -0.177 174.621 174.700 0.163 0.000 0.988 595 T CA -0.484 61.695 62.100 0.132 0.000 0.957 595 T CB 0.782 69.697 68.868 0.079 0.000 0.930 595 T HN 0.356 nan 8.240 nan 0.000 0.443 596 N N 2.660 121.435 118.700 0.126 0.000 2.415 596 N HA 0.156 4.894 4.740 -0.004 0.000 0.246 596 N C 0.621 176.081 175.510 -0.083 0.000 1.078 596 N CA -0.184 52.880 53.050 0.023 0.000 0.942 596 N CB 0.247 38.780 38.487 0.077 0.000 1.140 596 N HN 0.540 nan 8.380 nan 0.000 0.501 597 N N 1.879 120.476 118.700 -0.172 0.000 2.467 597 N HA 0.131 4.869 4.740 -0.004 0.000 0.184 597 N C 0.480 175.899 175.510 -0.152 0.000 1.106 597 N CA 0.217 53.187 53.050 -0.132 0.000 0.892 597 N CB 0.165 38.579 38.487 -0.122 0.000 0.969 597 N HN 0.679 nan 8.380 nan 0.000 0.454 598 G N -0.304 108.361 108.800 -0.224 0.000 2.712 598 G HA2 0.110 4.067 3.960 -0.004 0.000 0.686 598 G HA3 0.110 4.067 3.960 -0.004 0.000 0.686 598 G C 0.449 175.238 174.900 -0.184 0.000 1.321 598 G CA -0.582 44.412 45.100 -0.175 0.000 0.813 598 G HN 0.524 nan 8.290 nan 0.000 0.599 599 G N -0.141 108.579 108.800 -0.133 0.000 2.221 599 G HA2 -0.073 3.884 3.960 -0.004 0.000 0.265 599 G HA3 -0.073 3.884 3.960 -0.004 0.000 0.265 599 G C 0.588 175.418 174.900 -0.116 0.000 1.041 599 G CA 1.121 46.163 45.100 -0.097 0.000 0.807 599 G HN 2.391 nan 8.290 nan 0.000 0.502 600 N N -1.808 116.783 118.700 -0.180 0.000 2.754 600 N HA -0.193 4.544 4.740 -0.004 0.000 0.248 600 N C 0.111 175.477 175.510 -0.241 0.000 1.093 600 N CA 0.848 53.805 53.050 -0.154 0.000 0.699 600 N CB -0.886 37.632 38.487 0.051 0.000 1.016 600 N HN 0.802 nan 8.380 nan 0.000 0.552 601 S N 0.268 115.678 115.700 -0.484 0.000 2.478 601 S HA 0.661 5.128 4.470 -0.004 0.000 0.312 601 S C -1.114 173.162 174.600 -0.540 0.000 1.094 601 S CA -0.492 57.520 58.200 -0.313 0.000 1.081 601 S CB 0.674 63.768 63.200 -0.177 0.000 1.007 601 S HN 0.265 nan 8.310 nan 0.000 0.475 602 Y N 1.514 121.836 120.300 0.036 0.000 2.545 602 Y HA 0.632 5.178 4.550 -0.006 0.000 0.348 602 Y C 0.412 176.347 175.900 0.059 0.000 1.002 602 Y CA -0.829 57.307 58.100 0.060 0.000 1.039 602 Y CB 2.329 40.847 38.460 0.097 0.000 1.271 602 Y HN 0.522 nan 8.280 nan 0.000 0.467 603 S N 2.218 118.047 115.700 0.215 0.000 2.568 603 S HA 0.827 5.294 4.470 -0.004 0.000 0.293 603 S C -1.502 173.211 174.600 0.188 0.000 1.089 603 S CA -0.776 57.470 58.200 0.076 0.000 0.945 603 S CB 1.416 64.610 63.200 -0.010 0.000 1.077 603 S HN 0.522 nan 8.310 nan 0.000 0.485 604 F N -0.338 119.628 119.950 0.027 0.000 2.686 604 F HA 0.659 5.182 4.527 -0.007 0.000 0.311 604 F C -1.009 174.779 175.800 -0.018 0.000 1.128 604 F CA -0.993 57.010 58.000 0.005 0.000 0.946 604 F CB 1.355 40.355 39.000 -0.001 0.000 1.336 604 F HN 0.459 nan 8.300 nan 0.000 0.457 605 Q N 1.992 121.921 119.800 0.215 0.000 2.312 605 Q HA 0.628 4.965 4.340 -0.004 0.000 0.263 605 Q C -1.488 174.607 176.000 0.158 0.000 0.995 605 Q CA -1.028 54.826 55.803 0.086 0.000 0.853 605 Q CB 2.486 31.244 28.738 0.033 0.000 1.300 605 Q HN 0.785 nan 8.270 nan 0.000 0.448 606 V N 5.949 125.907 119.914 0.074 0.000 2.555 606 V HA 0.185 4.302 4.120 -0.004 0.000 0.286 606 V C -2.097 173.967 176.094 -0.049 0.000 1.044 606 V CA -1.359 60.941 62.300 0.001 0.000 1.026 606 V CB 0.902 32.681 31.823 -0.073 0.000 0.981 606 V HN 0.792 nan 8.190 nan 0.000 0.480 607 P HA -0.022 nan 4.420 nan 0.000 0.263 607 P C 0.868 178.122 177.300 -0.077 0.000 1.175 607 P CA 0.426 63.484 63.100 -0.070 0.000 0.761 607 P CB 0.495 32.146 31.700 -0.081 0.000 0.794 608 S N 1.077 116.739 115.700 -0.064 0.000 2.423 608 S HA -0.115 4.352 4.470 -0.004 0.000 0.231 608 S C 0.805 175.360 174.600 -0.075 0.000 1.014 608 S CA 0.786 58.948 58.200 -0.063 0.000 0.965 608 S CB -0.430 62.739 63.200 -0.052 0.000 0.785 608 S HN 0.440 nan 8.310 nan 0.000 0.495 609 D N 2.100 122.442 120.400 -0.097 0.000 2.316 609 D HA 0.249 4.886 4.640 -0.004 0.000 0.245 609 D C 0.965 177.197 176.300 -0.113 0.000 1.171 609 D CA 0.193 54.117 54.000 -0.126 0.000 0.856 609 D CB 1.644 42.328 40.800 -0.193 0.000 1.090 609 D HN 0.369 nan 8.370 nan 0.000 0.476 610 S N 1.788 117.442 115.700 -0.077 0.000 2.603 610 S HA -0.012 4.455 4.470 -0.004 0.000 0.229 610 S C 1.733 176.331 174.600 -0.003 0.000 0.972 610 S CA 0.422 58.608 58.200 -0.022 0.000 0.935 610 S CB 0.185 63.386 63.200 0.001 0.000 0.769 610 S HN 0.479 nan 8.310 nan 0.000 0.536 611 G N 0.845 109.579 108.800 -0.109 0.000 2.551 611 G HA2 0.101 4.059 3.960 -0.004 0.000 0.216 611 G HA3 0.101 4.059 3.960 -0.004 0.000 0.216 611 G C 1.179 175.974 174.900 -0.176 0.000 1.137 611 G CA 0.653 45.660 45.100 -0.155 0.000 0.798 611 G HN 0.472 nan 8.290 nan 0.000 0.536 612 V N 0.814 120.602 119.914 -0.209 0.000 2.403 612 V HA 0.311 4.428 4.120 -0.004 0.000 0.239 612 V C 1.991 178.184 176.094 0.166 0.000 1.041 612 V CA 1.221 63.482 62.300 -0.064 0.000 1.051 612 V CB -0.239 31.501 31.823 -0.138 0.000 0.704 612 V HN 0.308 nan 8.190 nan 0.000 0.472 613 A N 1.284 124.141 122.820 0.063 0.000 3.004 613 A HA 0.433 4.751 4.320 -0.004 0.000 0.286 613 A C 0.126 177.873 177.584 0.272 0.000 1.632 613 A CA -0.177 51.891 52.037 0.052 0.000 1.339 613 A CB -0.981 17.895 19.000 -0.208 0.000 1.136 613 A HN 0.471 nan 8.150 nan 0.000 0.577 614 L N 2.246 123.800 121.223 0.552 0.000 2.559 614 L HA 0.064 4.402 4.340 -0.004 0.000 0.274 614 L C -2.018 175.148 176.870 0.494 0.000 1.205 614 L CA -1.196 53.906 54.840 0.438 0.000 0.907 614 L CB 0.498 42.785 42.059 0.380 0.000 1.153 614 L HN 0.356 nan 8.230 nan 0.000 0.490 615 P HA 0.173 nan 4.420 nan 0.000 0.265 615 P C 0.213 177.660 177.300 0.245 0.000 1.193 615 P CA 0.284 63.524 63.100 0.234 0.000 0.765 615 P CB 0.947 32.717 31.700 0.116 0.000 0.823 616 G N 1.603 110.541 108.800 0.230 0.000 2.332 616 G HA2 0.089 4.046 3.960 -0.004 0.000 0.265 616 G HA3 0.089 4.046 3.960 -0.004 0.000 0.265 616 G C -1.898 173.105 174.900 0.171 0.000 1.329 616 G CA -0.727 44.444 45.100 0.119 0.000 0.949 616 G HN 0.262 nan 8.290 nan 0.000 0.476 617 Y N -0.283 120.152 120.300 0.225 0.000 2.320 617 Y HA 0.681 5.230 4.550 -0.003 0.000 0.334 617 Y C -0.209 175.948 175.900 0.429 0.000 1.055 617 Y CA -0.088 58.202 58.100 0.317 0.000 1.143 617 Y CB 1.475 39.992 38.460 0.096 0.000 1.193 617 Y HN 0.563 nan 8.280 nan 0.000 0.477 618 W N 2.909 124.499 121.300 0.484 0.000 2.882 618 W HA 0.672 5.327 4.660 -0.007 0.000 0.345 618 W C -0.968 175.638 176.519 0.146 0.000 1.125 618 W CA -1.098 56.412 57.345 0.276 0.000 1.167 618 W CB 1.344 30.904 29.460 0.166 0.000 1.431 618 W HN 0.230 nan 8.180 nan 0.000 0.543 619 M N 3.122 122.784 119.600 0.102 0.000 2.180 619 M HA 0.330 4.807 4.480 -0.004 0.000 0.350 619 M C -0.851 175.391 176.300 -0.097 0.000 1.125 619 M CA -1.066 54.127 55.300 -0.179 0.000 1.031 619 M CB 1.009 33.357 32.600 -0.420 0.000 1.623 619 M HN 0.196 nan 8.290 nan 0.000 0.451 620 L N 4.942 126.050 121.223 -0.192 0.000 2.264 620 L HA 0.599 4.936 4.340 -0.004 0.000 0.289 620 L C -1.807 174.868 176.870 -0.326 0.000 1.044 620 L CA 0.279 55.038 54.840 -0.136 0.000 0.807 620 L CB 0.279 42.331 42.059 -0.011 0.000 1.192 620 L HN 0.433 nan 8.230 nan 0.000 0.425 621 F N 4.757 124.658 119.950 -0.081 0.000 2.520 621 F HA 0.649 5.169 4.527 -0.010 0.000 0.322 621 F C -0.119 175.596 175.800 -0.142 0.000 1.103 621 F CA -0.722 57.213 58.000 -0.108 0.000 0.926 621 F CB 2.202 41.122 39.000 -0.133 0.000 1.154 621 F HN 0.388 nan 8.300 nan 0.000 0.453 622 V N 1.279 121.232 119.914 0.066 0.000 2.555 622 V HA 0.788 4.906 4.120 -0.004 0.000 0.302 622 V C -0.660 175.399 176.094 -0.060 0.000 1.038 622 V CA -0.860 61.413 62.300 -0.045 0.000 0.887 622 V CB 1.701 33.479 31.823 -0.075 0.000 0.991 622 V HN 0.669 nan 8.190 nan 0.000 0.434 623 M N 5.032 124.565 119.600 -0.111 0.000 2.383 623 M HA 0.530 5.008 4.480 -0.004 0.000 0.325 623 M C -0.034 176.199 176.300 -0.111 0.000 1.092 623 M CA -0.375 54.852 55.300 -0.122 0.000 0.961 623 M CB 1.589 34.099 32.600 -0.149 0.000 1.672 623 M HN 1.018 nan 8.290 nan 0.000 0.438 624 N N 0.275 118.924 118.700 -0.085 0.000 2.374 624 N HA 0.284 5.021 4.740 -0.004 0.000 0.284 624 N C 0.709 176.187 175.510 -0.053 0.000 1.280 624 N CA -0.048 52.965 53.050 -0.061 0.000 0.963 624 N CB -0.273 38.193 38.487 -0.036 0.000 1.141 624 N HN 0.630 nan 8.380 nan 0.000 0.565 625 S N -2.149 113.532 115.700 -0.032 0.000 2.399 625 S HA -0.112 4.355 4.470 -0.004 0.000 0.231 625 S C 1.724 176.309 174.600 -0.025 0.000 1.022 625 S CA 0.845 59.031 58.200 -0.024 0.000 0.983 625 S CB -1.048 62.146 63.200 -0.009 0.000 0.803 625 S HN 0.787 nan 8.310 nan 0.000 0.480 626 A N 0.788 123.593 122.820 -0.023 0.000 2.208 626 A HA 0.532 4.850 4.320 -0.004 0.000 0.209 626 A C 1.845 179.414 177.584 -0.025 0.000 1.161 626 A CA 0.730 52.755 52.037 -0.019 0.000 0.782 626 A CB -1.078 17.916 19.000 -0.011 0.000 0.816 626 A HN 1.563 nan 8.150 nan 0.000 0.477 627 G N -1.699 107.074 108.800 -0.045 0.000 2.157 627 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.239 627 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.239 627 G C 0.131 174.974 174.900 -0.095 0.000 0.982 627 G CA 0.046 45.106 45.100 -0.065 0.000 0.650 627 G HN 0.810 nan 8.290 nan 0.000 0.527 628 V N 3.146 123.015 119.914 -0.076 0.000 2.470 628 V HA 0.431 4.548 4.120 -0.004 0.000 0.276 628 V C -0.970 175.039 176.094 -0.140 0.000 1.040 628 V CA -0.881 61.366 62.300 -0.087 0.000 1.008 628 V CB 1.181 32.978 31.823 -0.044 0.000 0.990 628 V HN 0.303 nan 8.190 nan 0.000 0.477 629 P HA 0.304 nan 4.420 nan 0.000 0.282 629 P C -0.307 176.976 177.300 -0.028 0.000 1.259 629 P CA -0.401 62.592 63.100 -0.178 0.000 0.826 629 P CB 1.541 32.995 31.700 -0.410 0.000 1.064 630 S N 0.456 116.194 115.700 0.064 0.000 2.661 630 S HA 0.387 4.854 4.470 -0.004 0.000 0.265 630 S C 0.762 175.450 174.600 0.147 0.000 1.225 630 S CA -0.661 57.579 58.200 0.067 0.000 0.986 630 S CB -0.090 63.130 63.200 0.033 0.000 1.008 630 S HN 0.455 nan 8.310 nan 0.000 0.565 631 V N -1.545 118.402 119.914 0.055 0.000 2.953 631 V HA 0.762 4.880 4.120 -0.004 0.000 0.304 631 V C 0.593 176.576 176.094 -0.185 0.000 1.073 631 V CA -0.783 61.536 62.300 0.032 0.000 1.064 631 V CB -0.273 31.551 31.823 0.003 0.000 1.047 631 V HN 1.215 nan 8.190 nan 0.000 0.478 632 A N 2.576 125.147 122.820 -0.414 0.000 2.371 632 A HA 0.596 4.913 4.320 -0.004 0.000 0.257 632 A C 0.478 177.879 177.584 -0.306 0.000 1.089 632 A CA -0.163 51.438 52.037 -0.728 0.000 0.794 632 A CB 0.088 18.520 19.000 -0.948 0.000 1.029 632 A HN 1.024 nan 8.150 nan 0.000 0.488 633 S N 0.925 116.475 115.700 -0.250 0.000 2.433 633 S HA 0.411 4.878 4.470 -0.004 0.000 0.310 633 S C 0.004 174.602 174.600 -0.003 0.000 1.097 633 S CA -0.354 57.802 58.200 -0.073 0.000 1.103 633 S CB 1.079 64.263 63.200 -0.027 0.000 0.992 633 S HN 0.725 nan 8.310 nan 0.000 0.469 634 T N 4.940 119.546 114.554 0.087 0.000 2.752 634 T HA 0.289 4.636 4.350 -0.004 0.000 0.295 634 T C -0.050 174.790 174.700 0.233 0.000 0.923 634 T CA -0.109 62.127 62.100 0.227 0.000 1.112 634 T CB -0.181 68.822 68.868 0.225 0.000 0.884 634 T HN 0.320 nan 8.240 nan 0.000 0.525 635 I N 3.450 124.202 120.570 0.303 0.000 2.433 635 I HA 0.406 4.573 4.170 -0.004 0.000 0.292 635 I C 0.380 176.685 176.117 0.313 0.000 1.001 635 I CA -0.843 60.609 61.300 0.254 0.000 1.119 635 I CB 1.695 39.824 38.000 0.215 0.000 1.289 635 I HN 0.505 nan 8.210 nan 0.000 0.438 636 R N 5.222 125.832 120.500 0.184 0.000 2.229 636 R HA 0.604 4.942 4.340 -0.004 0.000 0.328 636 R C -1.388 174.936 176.300 0.039 0.000 1.009 636 R CA -0.404 55.736 56.100 0.066 0.000 0.864 636 R CB 1.223 31.465 30.300 -0.097 0.000 1.085 636 R HN 0.437 nan 8.270 nan 0.000 0.453 637 V N 4.943 124.906 119.914 0.083 0.000 2.370 637 V HA 0.318 4.435 4.120 -0.004 0.000 0.279 637 V C 0.438 176.543 176.094 0.018 0.000 1.029 637 V CA -0.434 61.874 62.300 0.014 0.000 0.870 637 V CB 1.414 33.181 31.823 -0.093 0.000 0.984 637 V HN 1.010 nan 8.190 nan 0.000 0.451 638 T N 2.149 116.693 114.554 -0.018 0.000 2.841 638 T HA 0.649 4.996 4.350 -0.004 0.000 0.276 638 T C -0.325 174.366 174.700 -0.015 0.000 1.003 638 T CA -0.828 61.261 62.100 -0.018 0.000 0.995 638 T CB 1.668 70.515 68.868 -0.035 0.000 1.260 638 T HN 0.502 nan 8.240 nan 0.000 0.581 639 Q N 0.000 119.791 119.800 -0.014 0.000 2.315 639 Q HA 0.000 4.337 4.340 -0.004 0.000 0.214 639 Q CA 0.000 55.793 55.803 -0.016 0.000 1.022 639 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481