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 1ock_1_B DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.004 0.000 1.302 2 I N 1.480 122.041 120.570 -0.015 0.000 2.471 2 I HA 0.175 4.344 4.170 -0.001 0.000 0.286 2 I C 0.547 176.650 176.117 -0.023 0.000 1.079 2 I CA 0.002 61.291 61.300 -0.018 0.000 1.398 2 I CB 1.303 39.291 38.000 -0.019 0.000 1.403 2 I HN 0.577 nan 8.210 nan 0.000 0.530 3 S N 5.924 121.607 115.700 -0.027 0.000 2.465 3 S HA 0.158 4.627 4.470 -0.001 0.000 0.279 3 S C 0.734 175.312 174.600 -0.037 0.000 1.201 3 S CA -0.770 57.406 58.200 -0.040 0.000 1.053 3 S CB 0.802 63.976 63.200 -0.042 0.000 0.953 3 S HN 0.565 nan 8.310 nan 0.000 0.488 4 L N 6.861 128.057 121.223 -0.045 0.000 2.056 4 L HA 0.143 4.482 4.340 -0.001 0.000 0.207 4 L C 2.370 179.218 176.870 -0.036 0.000 1.078 4 L CA 2.507 57.324 54.840 -0.039 0.000 0.749 4 L CB -1.346 40.686 42.059 -0.045 0.000 0.901 4 L HN 0.821 nan 8.230 nan 0.000 0.433 5 A N -0.520 122.269 122.820 -0.051 0.000 1.883 5 A HA -0.298 4.021 4.320 -0.001 0.000 0.217 5 A C 2.097 179.673 177.584 -0.014 0.000 1.186 5 A CA 1.950 53.965 52.037 -0.036 0.000 0.624 5 A CB -1.124 17.841 19.000 -0.060 0.000 0.822 5 A HN 0.607 nan 8.150 nan 0.000 0.444 6 D N -0.258 120.131 120.400 -0.018 0.000 2.097 6 D HA -0.139 4.501 4.640 -0.001 0.000 0.195 6 D C 1.844 178.142 176.300 -0.003 0.000 0.989 6 D CA 1.467 55.464 54.000 -0.006 0.000 0.827 6 D CB -0.233 40.562 40.800 -0.009 0.000 0.966 6 D HN 0.417 nan 8.370 nan 0.000 0.456 7 L N -0.101 121.117 121.223 -0.009 0.000 2.012 7 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 7 L C 2.785 179.654 176.870 -0.002 0.000 1.073 7 L CA 1.307 56.143 54.840 -0.006 0.000 0.748 7 L CB -0.589 41.463 42.059 -0.011 0.000 0.891 7 L HN 0.193 nan 8.230 nan 0.000 0.431 8 Q N -0.386 119.413 119.800 -0.002 0.000 2.061 8 Q HA -0.235 4.104 4.340 -0.001 0.000 0.204 8 Q C 2.421 178.426 176.000 0.009 0.000 0.984 8 Q CA 1.585 57.390 55.803 0.003 0.000 0.846 8 Q CB -0.123 28.617 28.738 0.003 0.000 0.902 8 Q HN 0.439 nan 8.270 nan 0.000 0.421 9 R N 0.220 120.727 120.500 0.012 0.000 2.073 9 R HA -0.079 4.260 4.340 -0.001 0.000 0.234 9 R C 2.275 178.583 176.300 0.014 0.000 1.134 9 R CA 1.190 57.300 56.100 0.017 0.000 0.952 9 R CB -0.138 30.174 30.300 0.022 0.000 0.850 9 R HN 0.177 nan 8.270 nan 0.000 0.433 10 R N 0.149 120.655 120.500 0.010 0.000 2.148 10 R HA -0.012 4.328 4.340 -0.001 0.000 0.227 10 R C 2.186 178.491 176.300 0.008 0.000 1.103 10 R CA 0.903 57.008 56.100 0.009 0.000 0.983 10 R CB -0.095 30.209 30.300 0.007 0.000 0.874 10 R HN 0.275 nan 8.270 nan 0.000 0.451 11 I N 0.192 120.766 120.570 0.007 0.000 2.406 11 I HA -0.174 3.995 4.170 -0.001 0.000 0.249 11 I C 2.334 178.456 176.117 0.009 0.000 1.122 11 I CA 0.882 62.186 61.300 0.007 0.000 1.431 11 I CB -0.045 37.959 38.000 0.006 0.000 1.087 11 I HN 0.057 nan 8.210 nan 0.000 0.424 12 E N 1.031 121.237 120.200 0.011 0.000 2.106 12 E HA -0.206 4.144 4.350 -0.001 0.000 0.192 12 E C 2.049 178.656 176.600 0.012 0.000 0.984 12 E CA 2.013 58.421 56.400 0.012 0.000 0.806 12 E CB -0.202 29.507 29.700 0.015 0.000 0.750 12 E HN 0.496 nan 8.360 nan 0.000 0.458 13 T N -3.909 110.652 114.554 0.012 0.000 3.088 13 T HA 0.204 4.553 4.350 -0.001 0.000 0.259 13 T C 1.575 176.281 174.700 0.010 0.000 1.122 13 T CA 0.733 62.840 62.100 0.011 0.000 1.095 13 T CB 0.072 68.947 68.868 0.012 0.000 0.930 13 T HN 0.334 nan 8.240 nan 0.000 0.508 14 G N 1.215 110.021 108.800 0.009 0.000 2.176 14 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.232 14 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.232 14 G C 0.569 175.473 174.900 0.007 0.000 0.986 14 G CA 0.543 45.648 45.100 0.008 0.000 0.643 14 G HN 0.610 nan 8.290 nan 0.000 0.522 15 E N -0.787 119.417 120.200 0.008 0.000 2.150 15 E HA 0.115 4.465 4.350 -0.001 0.000 0.193 15 E C 0.886 177.490 176.600 0.006 0.000 0.985 15 E CA 0.883 57.287 56.400 0.007 0.000 0.814 15 E CB 0.006 29.711 29.700 0.008 0.000 0.752 15 E HN 0.622 nan 8.360 nan 0.000 0.466 16 L N 1.129 122.356 121.223 0.007 0.000 2.381 16 L HA 0.295 4.634 4.340 -0.001 0.000 0.274 16 L C -0.655 176.219 176.870 0.007 0.000 0.988 16 L CA -0.639 54.205 54.840 0.006 0.000 0.824 16 L CB 1.856 43.918 42.059 0.005 0.000 1.263 16 L HN 0.052 nan 8.230 nan 0.000 0.410 17 S N 4.148 119.852 115.700 0.008 0.000 2.601 17 S HA 0.527 4.996 4.470 -0.001 0.000 0.271 17 S C -2.000 172.605 174.600 0.010 0.000 1.305 17 S CA -0.843 57.362 58.200 0.009 0.000 1.022 17 S CB 1.056 64.261 63.200 0.009 0.000 0.940 17 S HN 0.631 nan 8.310 nan 0.000 0.525 18 P HA -0.106 nan 4.420 nan 0.000 0.216 18 P C 1.164 178.473 177.300 0.016 0.000 1.153 18 P CA 1.163 64.269 63.100 0.011 0.000 0.858 18 P CB -0.033 31.673 31.700 0.011 0.000 0.789 19 N N -0.548 118.163 118.700 0.019 0.000 2.104 19 N HA -0.139 4.600 4.740 -0.001 0.000 0.190 19 N C 1.708 177.237 175.510 0.032 0.000 1.024 19 N CA 1.667 54.734 53.050 0.028 0.000 0.853 19 N CB -0.906 37.594 38.487 0.022 0.000 1.008 19 N HN 0.078 nan 8.380 nan 0.000 0.424 20 A N 1.030 123.864 122.820 0.022 0.000 1.930 20 A HA 0.077 4.396 4.320 -0.001 0.000 0.217 20 A C 2.397 179.993 177.584 0.019 0.000 1.175 20 A CA 1.752 53.802 52.037 0.021 0.000 0.627 20 A CB -0.713 18.295 19.000 0.014 0.000 0.815 20 A HN 0.315 nan 8.150 nan 0.000 0.443 21 A N -0.001 122.826 122.820 0.012 0.000 1.902 21 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 21 A C 1.999 179.580 177.584 -0.005 0.000 1.181 21 A CA 1.651 53.689 52.037 0.002 0.000 0.623 21 A CB -0.462 18.537 19.000 -0.002 0.000 0.818 21 A HN 0.395 nan 8.150 nan 0.000 0.443 22 I N -0.068 120.506 120.570 0.006 0.000 2.252 22 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 22 I C 2.922 179.067 176.117 0.047 0.000 1.102 22 I CA 1.321 62.615 61.300 -0.010 0.000 1.385 22 I CB -1.583 36.436 38.000 0.032 0.000 1.064 22 I HN 0.363 nan 8.210 nan 0.000 0.414 23 A N 0.006 122.891 122.820 0.109 0.000 1.933 23 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 23 A C 2.262 179.902 177.584 0.094 0.000 1.175 23 A CA 1.626 53.752 52.037 0.150 0.000 0.628 23 A CB -0.584 18.465 19.000 0.082 0.000 0.814 23 A HN 0.373 nan 8.150 nan 0.000 0.444 24 Q N -0.005 119.817 119.800 0.037 0.000 2.061 24 Q HA -0.129 4.211 4.340 -0.001 0.000 0.204 24 Q C 2.471 178.466 176.000 -0.009 0.000 0.984 24 Q CA 2.233 58.043 55.803 0.012 0.000 0.846 24 Q CB -0.305 28.431 28.738 -0.003 0.000 0.902 24 Q HN 0.655 nan 8.270 nan 0.000 0.421 25 S N -0.522 115.147 115.700 -0.053 0.000 2.356 25 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 25 S C 1.660 176.181 174.600 -0.131 0.000 1.032 25 S CA 1.067 59.198 58.200 -0.116 0.000 1.005 25 S CB -0.441 62.650 63.200 -0.181 0.000 0.867 25 S HN 0.460 nan 8.310 nan 0.000 0.449 26 H N 1.469 120.530 119.070 -0.014 0.000 2.352 26 H HA -0.035 4.520 4.556 -0.001 0.000 0.299 26 H C 2.490 177.817 175.328 -0.002 0.000 1.097 26 H CA 1.486 57.554 56.048 0.033 0.000 1.311 26 H CB -0.674 29.136 29.762 0.081 0.000 1.377 26 H HN 0.444 nan 8.280 nan 0.000 0.504 27 A N 0.995 123.883 122.820 0.113 0.000 1.898 27 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 27 A C 2.708 180.293 177.584 0.002 0.000 1.181 27 A CA 1.634 53.701 52.037 0.050 0.000 0.620 27 A CB -0.735 18.286 19.000 0.036 0.000 0.819 27 A HN 0.435 nan 8.150 nan 0.000 0.442 28 A N -0.141 122.665 122.820 -0.023 0.000 1.930 28 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 28 A C 2.095 179.637 177.584 -0.071 0.000 1.175 28 A CA 1.442 53.453 52.037 -0.043 0.000 0.627 28 A CB -0.554 18.419 19.000 -0.045 0.000 0.815 28 A HN 0.500 nan 8.150 nan 0.000 0.443 29 I N -0.960 119.528 120.570 -0.137 0.000 2.252 29 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 29 I C 2.484 178.514 176.117 -0.145 0.000 1.102 29 I CA 1.500 62.656 61.300 -0.240 0.000 1.385 29 I CB -0.275 37.316 38.000 -0.682 0.000 1.064 29 I HN 0.242 nan 8.210 nan 0.000 0.414 30 E N 1.056 121.215 120.200 -0.067 0.000 2.153 30 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 30 E C 2.133 178.725 176.600 -0.013 0.000 0.988 30 E CA 1.375 57.775 56.400 -0.001 0.000 0.811 30 E CB -0.172 29.552 29.700 0.041 0.000 0.746 30 E HN 0.458 nan 8.360 nan 0.000 0.466 31 A N 0.091 122.897 122.820 -0.023 0.000 1.968 31 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 31 A C 1.779 179.342 177.584 -0.034 0.000 1.169 31 A CA 1.217 53.240 52.037 -0.024 0.000 0.638 31 A CB 0.006 18.992 19.000 -0.024 0.000 0.812 31 A HN 0.052 nan 8.150 nan 0.000 0.446 32 R N -1.511 118.962 120.500 -0.045 0.000 2.487 32 R HA 0.114 4.453 4.340 -0.001 0.000 0.272 32 R C 1.394 177.651 176.300 -0.071 0.000 0.928 32 R CA 0.613 56.677 56.100 -0.059 0.000 1.077 32 R CB -0.106 30.156 30.300 -0.063 0.000 1.265 32 R HN 0.506 nan 8.270 nan 0.000 0.537 33 E N 2.425 122.599 120.200 -0.043 0.000 2.160 33 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 33 E C 1.195 177.760 176.600 -0.059 0.000 0.991 33 E CA 1.492 57.882 56.400 -0.015 0.000 0.810 33 E CB 0.076 29.788 29.700 0.020 0.000 0.742 33 E HN 0.146 nan 8.360 nan 0.000 0.466 34 K N -0.178 120.192 120.400 -0.049 0.000 2.504 34 K HA -0.090 4.229 4.320 -0.001 0.000 0.195 34 K C 1.456 177.934 176.600 -0.203 0.000 1.036 34 K CA 1.222 57.492 56.287 -0.028 0.000 0.984 34 K CB 0.072 32.586 32.500 0.023 0.000 0.788 34 K HN 0.417 nan 8.250 nan 0.000 0.488 35 E N -0.768 119.259 120.200 -0.290 0.000 2.434 35 E HA 0.011 4.360 4.350 -0.001 0.000 0.207 35 E C 1.468 177.783 176.600 -0.476 0.000 0.929 35 E CA 0.084 56.291 56.400 -0.321 0.000 1.001 35 E CB 0.313 29.925 29.700 -0.146 0.000 1.016 35 E HN -0.083 nan 8.360 nan 0.000 0.502 36 V N 0.457 120.109 119.914 -0.437 0.000 2.922 36 V HA 0.008 4.127 4.120 -0.001 0.000 0.242 36 V C 0.002 175.971 176.094 -0.208 0.000 1.094 36 V CA 0.890 63.026 62.300 -0.272 0.000 1.106 36 V CB -0.889 30.860 31.823 -0.123 0.000 0.799 36 V HN 0.389 nan 8.190 nan 0.000 0.474 37 H N -0.613 118.480 119.070 0.037 0.000 2.819 37 H HA -0.183 4.372 4.556 -0.001 0.000 0.315 37 H C 1.303 176.649 175.328 0.030 0.000 1.242 37 H CA 0.249 56.325 56.048 0.047 0.000 1.157 37 H CB -1.445 28.334 29.762 0.028 0.000 1.451 37 H HN 0.477 nan 8.280 nan 0.000 0.430 38 A N -0.385 122.500 122.820 0.108 0.000 2.072 38 A HA 0.216 4.535 4.320 -0.001 0.000 0.216 38 A C 0.454 177.927 177.584 -0.186 0.000 1.156 38 A CA 0.469 52.470 52.037 -0.060 0.000 0.701 38 A CB 0.330 19.243 19.000 -0.146 0.000 0.816 38 A HN 0.246 nan 8.150 nan 0.000 0.458 39 F N -1.690 118.263 119.950 0.004 0.000 2.450 39 F HA 0.413 4.939 4.527 -0.001 0.000 0.332 39 F C 1.187 177.008 175.800 0.035 0.000 1.093 39 F CA -0.427 57.580 58.000 0.012 0.000 1.003 39 F CB 1.897 40.908 39.000 0.017 0.000 1.151 39 F HN -0.167 nan 8.300 nan 0.000 0.474 40 V N 2.145 122.165 119.914 0.177 0.000 2.535 40 V HA 0.090 4.209 4.120 -0.001 0.000 0.246 40 V C 0.446 176.638 176.094 0.163 0.000 1.045 40 V CA 1.029 63.403 62.300 0.123 0.000 1.058 40 V CB -0.331 31.534 31.823 0.070 0.000 0.689 40 V HN 0.606 nan 8.190 nan 0.000 0.461 41 R N -0.585 120.057 120.500 0.237 0.000 2.508 41 R HA 0.364 4.703 4.340 -0.001 0.000 0.283 41 R C -0.967 175.501 176.300 0.279 0.000 1.120 41 R CA -0.425 55.798 56.100 0.206 0.000 0.958 41 R CB 1.497 31.876 30.300 0.133 0.000 1.215 41 R HN 0.437 nan 8.270 nan 0.000 0.427 42 H N 2.338 121.427 119.070 0.032 0.000 2.541 42 H HA 0.138 4.693 4.556 -0.001 0.000 0.316 42 H C -0.963 174.337 175.328 -0.046 0.000 1.043 42 H CA -0.680 55.286 56.048 -0.136 0.000 1.232 42 H CB 1.317 30.893 29.762 -0.311 0.000 1.406 42 H HN 0.482 nan 8.280 nan 0.000 0.469 43 D N 4.996 125.434 120.400 0.062 0.000 2.435 43 D HA 0.027 4.666 4.640 -0.001 0.000 0.230 43 D C 0.638 176.841 176.300 -0.161 0.000 1.215 43 D CA -0.179 53.793 54.000 -0.047 0.000 0.947 43 D CB 0.669 41.500 40.800 0.052 0.000 1.048 43 D HN 0.624 nan 8.370 nan 0.000 0.512 44 K N 0.692 120.803 120.400 -0.482 0.000 2.281 44 K HA -0.124 4.195 4.320 -0.001 0.000 0.203 44 K C 1.759 178.081 176.600 -0.463 0.000 1.046 44 K CA 1.224 57.149 56.287 -0.603 0.000 0.938 44 K CB 0.077 32.267 32.500 -0.518 0.000 0.737 44 K HN 0.352 nan 8.250 nan 0.000 0.458 45 S N 0.210 115.776 115.700 -0.224 0.000 2.558 45 S HA 0.201 4.670 4.470 -0.001 0.000 0.217 45 S C 0.846 175.426 174.600 -0.034 0.000 0.975 45 S CA -0.305 57.808 58.200 -0.146 0.000 0.912 45 S CB 0.014 63.157 63.200 -0.095 0.000 0.776 45 S HN 0.202 nan 8.310 nan 0.000 0.526 46 A N 2.255 125.121 122.820 0.077 0.000 2.567 46 A HA 0.345 4.665 4.320 -0.001 0.000 0.240 46 A C 0.536 178.239 177.584 0.198 0.000 1.053 46 A CA 0.005 52.134 52.037 0.154 0.000 0.755 46 A CB 0.020 19.140 19.000 0.200 0.000 0.978 46 A HN 0.634 nan 8.150 nan 0.000 0.507 47 R N 1.299 121.860 120.500 0.102 0.000 2.873 47 R HA 0.657 4.997 4.340 -0.001 0.000 0.264 47 R C 0.067 176.403 176.300 0.060 0.000 1.026 47 R CA -0.441 55.709 56.100 0.084 0.000 1.002 47 R CB 1.857 32.182 30.300 0.042 0.000 1.174 47 R HN 0.828 nan 8.270 nan 0.000 0.488 48 A N 1.323 124.172 122.820 0.049 0.000 2.351 48 A HA 0.198 4.517 4.320 -0.001 0.000 0.257 48 A C -0.230 177.367 177.584 0.022 0.000 1.087 48 A CA -0.274 51.781 52.037 0.030 0.000 0.798 48 A CB 0.502 19.518 19.000 0.026 0.000 1.033 48 A HN 0.600 nan 8.150 nan 0.000 0.488 49 Q N -0.187 119.622 119.800 0.016 0.000 2.212 49 Q HA 0.508 4.847 4.340 -0.001 0.000 0.238 49 Q C 0.744 176.751 176.000 0.011 0.000 0.955 49 Q CA -0.058 55.753 55.803 0.013 0.000 0.906 49 Q CB 1.625 30.370 28.738 0.011 0.000 1.215 49 Q HN 0.820 nan 8.270 nan 0.000 0.478 50 A N 0.608 123.434 122.820 0.010 0.000 2.238 50 A HA 0.108 4.427 4.320 -0.001 0.000 0.210 50 A C 0.356 177.945 177.584 0.008 0.000 1.179 50 A CA 0.511 52.553 52.037 0.009 0.000 0.827 50 A CB 0.264 19.269 19.000 0.008 0.000 0.856 50 A HN 0.596 nan 8.150 nan 0.000 0.488 51 S N -2.569 113.136 115.700 0.008 0.000 2.607 51 S HA 0.744 5.213 4.470 -0.001 0.000 0.273 51 S C -0.203 174.402 174.600 0.009 0.000 1.148 51 S CA -0.152 58.053 58.200 0.008 0.000 0.833 51 S CB 1.209 64.414 63.200 0.008 0.000 1.130 51 S HN 1.999 nan 8.310 nan 0.000 0.470 52 G N 1.398 110.204 108.800 0.009 0.000 2.617 52 G HA2 0.098 4.057 3.960 -0.001 0.000 0.686 52 G HA3 0.098 4.057 3.960 -0.001 0.000 0.686 52 G C -2.266 172.640 174.900 0.009 0.000 1.214 52 G CA -0.269 44.837 45.100 0.009 0.000 0.796 52 G HN 0.643 nan 8.290 nan 0.000 0.654 53 P HA -0.024 nan 4.420 nan 0.000 0.222 53 P C 1.430 178.732 177.300 0.005 0.000 1.147 53 P CA 0.990 64.095 63.100 0.009 0.000 0.790 53 P CB 0.178 31.886 31.700 0.012 0.000 0.780 54 L N -0.273 120.952 121.223 0.003 0.000 2.741 54 L HA 0.202 4.541 4.340 -0.001 0.000 0.237 54 L C 1.197 178.067 176.870 0.001 0.000 1.178 54 L CA -0.622 54.218 54.840 -0.001 0.000 0.973 54 L CB -0.333 41.723 42.059 -0.004 0.000 1.255 54 L HN -0.032 nan 8.230 nan 0.000 0.498 55 R N 0.183 120.685 120.500 0.004 0.000 2.522 55 R HA 0.303 4.642 4.340 -0.001 0.000 0.284 55 R C 0.868 177.170 176.300 0.003 0.000 1.032 55 R CA 0.625 56.728 56.100 0.005 0.000 1.049 55 R CB 0.087 30.392 30.300 0.007 0.000 0.956 55 R HN 0.176 nan 8.270 nan 0.000 0.422 56 G N 2.575 111.376 108.800 0.003 0.000 2.159 56 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.256 56 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.256 56 G C -0.055 174.840 174.900 -0.009 0.000 0.977 56 G CA 0.033 45.133 45.100 -0.000 0.000 0.652 56 G HN 0.557 nan 8.290 nan 0.000 0.531 57 I N 1.549 122.113 120.570 -0.009 0.000 2.307 57 I HA 0.635 4.804 4.170 -0.001 0.000 0.289 57 I C 0.832 176.939 176.117 -0.018 0.000 1.021 57 I CA -1.074 60.217 61.300 -0.015 0.000 1.224 57 I CB 0.677 38.670 38.000 -0.011 0.000 1.376 57 I HN 0.325 nan 8.210 nan 0.000 0.470 58 A N 7.166 129.967 122.820 -0.032 0.000 2.363 58 A HA 0.665 4.984 4.320 -0.001 0.000 0.270 58 A C -0.228 177.353 177.584 -0.005 0.000 1.121 58 A CA -0.312 51.701 52.037 -0.039 0.000 0.800 58 A CB 0.644 19.585 19.000 -0.098 0.000 1.052 58 A HN 0.473 nan 8.150 nan 0.000 0.493 59 V N 1.891 121.816 119.914 0.019 0.000 2.588 59 V HA 0.662 4.782 4.120 -0.001 0.000 0.304 59 V C 0.707 176.846 176.094 0.075 0.000 1.042 59 V CA -0.284 62.038 62.300 0.037 0.000 0.877 59 V CB 1.854 33.693 31.823 0.026 0.000 0.996 59 V HN 1.171 nan 8.190 nan 0.000 0.425 60 G N 4.323 113.162 108.800 0.066 0.000 2.367 60 G HA2 0.672 4.631 3.960 -0.001 0.000 0.314 60 G HA3 0.672 4.631 3.960 -0.001 0.000 0.314 60 G C -0.812 174.081 174.900 -0.012 0.000 1.130 60 G CA -0.410 44.720 45.100 0.050 0.000 0.864 60 G HN 0.442 nan 8.290 nan 0.000 0.486 61 I N 1.617 122.184 120.570 -0.004 0.000 2.418 61 I HA 0.272 4.442 4.170 -0.001 0.000 0.287 61 I C 0.439 176.535 176.117 -0.035 0.000 1.008 61 I CA -1.128 60.170 61.300 -0.003 0.000 1.104 61 I CB 1.567 39.586 38.000 0.031 0.000 1.264 61 I HN 0.531 nan 8.210 nan 0.000 0.438 62 K N 4.008 124.384 120.400 -0.039 0.000 2.511 62 K HA -0.119 4.200 4.320 -0.001 0.000 0.280 62 K C 0.439 177.027 176.600 -0.020 0.000 1.008 62 K CA 0.239 56.497 56.287 -0.049 0.000 1.050 62 K CB 0.522 33.014 32.500 -0.013 0.000 0.889 62 K HN 0.431 nan 8.250 nan 0.000 0.484 63 D N 4.131 124.513 120.400 -0.032 0.000 2.396 63 D HA -0.024 4.615 4.640 -0.001 0.000 0.255 63 D C 0.779 177.072 176.300 -0.012 0.000 1.224 63 D CA 0.382 54.376 54.000 -0.010 0.000 0.894 63 D CB -0.241 40.553 40.800 -0.011 0.000 0.939 63 D HN 0.581 nan 8.370 nan 0.000 0.506 64 I N -3.415 117.154 120.570 -0.002 0.000 4.154 64 I HA 0.304 4.473 4.170 -0.001 0.000 0.334 64 I C 0.076 176.215 176.117 0.036 0.000 1.371 64 I CA -0.276 61.025 61.300 0.001 0.000 1.110 64 I CB 0.327 38.338 38.000 0.018 0.000 1.085 64 I HN -0.230 nan 8.210 nan 0.000 0.398 65 I N 2.788 123.382 120.570 0.040 0.000 2.321 65 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 65 I C -0.479 175.670 176.117 0.054 0.000 0.998 65 I CA -0.583 60.748 61.300 0.051 0.000 1.227 65 I CB 0.850 38.877 38.000 0.045 0.000 1.368 65 I HN -0.004 nan 8.210 nan 0.000 0.466 66 D N 4.922 125.361 120.400 0.066 0.000 2.488 66 D HA 0.143 4.782 4.640 -0.001 0.000 0.238 66 D C 0.158 176.480 176.300 0.035 0.000 1.138 66 D CA 0.658 54.696 54.000 0.063 0.000 0.873 66 D CB 0.822 41.666 40.800 0.074 0.000 1.183 66 D HN 0.580 nan 8.370 nan 0.000 0.458 67 T N -2.131 112.433 114.554 0.016 0.000 2.912 67 T HA 0.645 4.994 4.350 -0.001 0.000 0.299 67 T C 0.576 175.259 174.700 -0.027 0.000 1.052 67 T CA -0.877 61.225 62.100 0.004 0.000 0.996 67 T CB 1.962 70.839 68.868 0.015 0.000 1.070 67 T HN 0.170 nan 8.240 nan 0.000 0.465 68 A N 1.986 124.789 122.820 -0.027 0.000 2.030 68 A HA 0.097 4.416 4.320 -0.001 0.000 0.215 68 A C 1.969 179.521 177.584 -0.053 0.000 1.164 68 A CA 0.720 52.727 52.037 -0.050 0.000 0.697 68 A CB -0.445 18.534 19.000 -0.035 0.000 0.827 68 A HN 0.881 nan 8.150 nan 0.000 0.457 69 N N -1.032 117.649 118.700 -0.031 0.000 2.325 69 N HA 0.157 4.896 4.740 -0.001 0.000 0.182 69 N C 0.153 175.650 175.510 -0.022 0.000 1.088 69 N CA 0.179 53.214 53.050 -0.026 0.000 0.879 69 N CB 0.084 38.565 38.487 -0.010 0.000 0.983 69 N HN 0.412 nan 8.380 nan 0.000 0.471 70 M N 0.146 119.736 119.600 -0.018 0.000 2.572 70 M HA 0.482 4.961 4.480 -0.001 0.000 0.299 70 M C -2.768 173.520 176.300 -0.019 0.000 1.205 70 M CA -2.049 53.249 55.300 -0.004 0.000 0.876 70 M CB 2.870 35.488 32.600 0.030 0.000 1.728 70 M HN -0.294 nan 8.290 nan 0.000 0.458 71 P HA 0.157 nan 4.420 nan 0.000 0.272 71 P C -0.960 176.361 177.300 0.035 0.000 1.240 71 P CA -0.153 62.941 63.100 -0.009 0.000 0.791 71 P CB 0.505 32.221 31.700 0.027 0.000 0.978 72 T N 1.122 115.724 114.554 0.080 0.000 3.009 72 T HA 0.186 4.535 4.350 -0.001 0.000 0.346 72 T C 0.295 175.134 174.700 0.230 0.000 1.092 72 T CA -0.307 61.871 62.100 0.132 0.000 1.080 72 T CB 0.202 69.159 68.868 0.148 0.000 1.037 72 T HN 0.336 nan 8.240 nan 0.000 0.487 73 E N 3.000 123.285 120.200 0.142 0.000 2.479 73 E HA 0.078 4.427 4.350 -0.001 0.000 0.193 73 E C 0.724 177.326 176.600 0.003 0.000 1.049 73 E CA -0.177 56.315 56.400 0.154 0.000 0.870 73 E CB 0.038 29.808 29.700 0.118 0.000 0.944 73 E HN 0.480 nan 8.360 nan 0.000 0.492 74 M N -1.008 118.527 119.600 -0.108 0.000 2.835 74 M HA -0.246 4.234 4.480 -0.001 0.000 0.177 74 M C 1.113 177.203 176.300 -0.349 0.000 0.640 74 M CA 1.362 56.482 55.300 -0.300 0.000 0.635 74 M CB -2.863 29.361 32.600 -0.626 0.000 2.307 74 M HN 0.459 nan 8.290 nan 0.000 0.400 75 G N 0.131 108.818 108.800 -0.187 0.000 2.168 75 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.257 75 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.257 75 G C 0.102 174.883 174.900 -0.198 0.000 0.997 75 G CA 1.029 46.035 45.100 -0.157 0.000 0.708 75 G HN 1.067 nan 8.290 nan 0.000 0.520 76 S N -1.263 114.297 115.700 -0.232 0.000 2.526 76 S HA 0.584 5.053 4.470 -0.001 0.000 0.293 76 S C 1.134 175.740 174.600 0.010 0.000 1.092 76 S CA 0.197 58.297 58.200 -0.167 0.000 0.980 76 S CB 1.379 64.317 63.200 -0.436 0.000 1.048 76 S HN 0.287 nan 8.310 nan 0.000 0.483 77 E N 2.829 123.052 120.200 0.038 0.000 2.204 77 E HA -0.084 4.265 4.350 -0.001 0.000 0.195 77 E C 1.367 177.998 176.600 0.051 0.000 0.990 77 E CA 1.084 57.513 56.400 0.048 0.000 0.821 77 E CB -0.179 29.544 29.700 0.039 0.000 0.750 77 E HN 0.699 nan 8.360 nan 0.000 0.477 78 I N -0.029 120.591 120.570 0.083 0.000 2.454 78 I HA -0.247 3.922 4.170 -0.001 0.000 0.254 78 I C 1.034 177.064 176.117 -0.145 0.000 1.156 78 I CA 1.163 62.449 61.300 -0.024 0.000 1.433 78 I CB -0.012 38.064 38.000 0.127 0.000 1.082 78 I HN 0.117 nan 8.210 nan 0.000 0.432 79 Y N 0.092 120.411 120.300 0.033 0.000 2.681 79 Y HA 0.280 4.829 4.550 -0.002 0.000 0.267 79 Y C 0.832 176.808 175.900 0.127 0.000 1.166 79 Y CA -0.855 57.286 58.100 0.067 0.000 1.209 79 Y CB -0.049 38.432 38.460 0.036 0.000 1.161 79 Y HN -0.058 nan 8.280 nan 0.000 0.534 80 R N 0.791 121.391 120.500 0.167 0.000 2.522 80 R HA 0.320 4.659 4.340 -0.001 0.000 0.284 80 R C 1.303 177.701 176.300 0.162 0.000 1.032 80 R CA 1.154 57.336 56.100 0.137 0.000 1.049 80 R CB -0.156 30.191 30.300 0.080 0.000 0.956 80 R HN 0.551 nan 8.270 nan 0.000 0.422 81 G N 3.562 112.455 108.800 0.156 0.000 2.184 81 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.264 81 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.264 81 G C -0.021 174.994 174.900 0.192 0.000 0.975 81 G CA 0.223 45.404 45.100 0.136 0.000 0.642 81 G HN 0.701 nan 8.290 nan 0.000 0.536 82 W N 1.223 122.573 121.300 0.083 0.000 2.308 82 W HA 0.575 5.234 4.660 -0.001 0.000 0.324 82 W C -0.018 176.551 176.519 0.082 0.000 1.387 82 W CA -0.083 57.326 57.345 0.105 0.000 1.250 82 W CB 0.864 30.468 29.460 0.240 0.000 1.257 82 W HN 0.176 nan 8.180 nan 0.000 0.554 83 Q N 8.224 127.487 119.800 -0.894 0.000 2.401 83 Q HA 0.379 4.718 4.340 -0.001 0.000 0.260 83 Q C -2.456 172.922 176.000 -1.038 0.000 1.034 83 Q CA -2.159 53.196 55.803 -0.746 0.000 0.737 83 Q CB 1.354 29.856 28.738 -0.394 0.000 1.227 83 Q HN 0.144 nan 8.270 nan 0.000 0.488 84 P HA 0.110 nan 4.420 nan 0.000 0.269 84 P C -0.104 177.041 177.300 -0.259 0.000 1.215 84 P CA -0.213 62.648 63.100 -0.399 0.000 0.780 84 P CB 0.935 32.584 31.700 -0.085 0.000 0.898 85 R N 1.586 121.999 120.500 -0.146 0.000 2.093 85 R HA 0.016 4.356 4.340 -0.001 0.000 0.224 85 R C 0.441 176.708 176.300 -0.054 0.000 1.101 85 R CA 1.382 57.426 56.100 -0.094 0.000 0.979 85 R CB -0.468 29.804 30.300 -0.046 0.000 0.877 85 R HN 0.613 nan 8.270 nan 0.000 0.441 86 S N -0.706 114.979 115.700 -0.026 0.000 2.638 86 S HA 0.456 4.925 4.470 -0.001 0.000 0.302 86 S C -0.991 173.608 174.600 -0.001 0.000 1.096 86 S CA -1.138 57.057 58.200 -0.010 0.000 0.953 86 S CB 1.865 65.068 63.200 0.006 0.000 1.107 86 S HN 0.056 nan 8.310 nan 0.000 0.503 87 D N 1.419 121.821 120.400 0.003 0.000 2.304 87 D HA 0.493 5.132 4.640 -0.001 0.000 0.250 87 D C 0.440 176.752 176.300 0.020 0.000 1.107 87 D CA 0.130 54.136 54.000 0.010 0.000 0.885 87 D CB 1.516 42.321 40.800 0.009 0.000 1.192 87 D HN 0.827 nan 8.370 nan 0.000 0.436 88 A N 4.008 126.845 122.820 0.027 0.000 2.466 88 A HA 0.202 4.521 4.320 -0.001 0.000 0.238 88 A C -1.345 176.254 177.584 0.025 0.000 1.074 88 A CA -0.789 51.268 52.037 0.032 0.000 0.774 88 A CB 0.126 19.150 19.000 0.040 0.000 1.015 88 A HN 0.342 nan 8.150 nan 0.000 0.498 89 P HA -0.189 nan 4.420 nan 0.000 0.217 89 P C 1.549 178.859 177.300 0.017 0.000 1.151 89 P CA 2.152 65.263 63.100 0.019 0.000 0.849 89 P CB -0.237 31.474 31.700 0.018 0.000 0.787 90 V N -3.791 116.135 119.914 0.019 0.000 2.515 90 V HA -0.152 3.967 4.120 -0.001 0.000 0.250 90 V C 2.081 178.184 176.094 0.015 0.000 1.058 90 V CA 1.622 63.931 62.300 0.015 0.000 1.064 90 V CB -1.696 30.138 31.823 0.019 0.000 0.675 90 V HN -0.051 nan 8.190 nan 0.000 0.461 91 V N -0.188 119.738 119.914 0.020 0.000 2.358 91 V HA -0.164 3.955 4.120 -0.001 0.000 0.246 91 V C 2.732 178.835 176.094 0.015 0.000 1.047 91 V CA 2.240 64.552 62.300 0.020 0.000 1.035 91 V CB -0.526 31.310 31.823 0.023 0.000 0.658 91 V HN 0.400 nan 8.190 nan 0.000 0.452 92 M N -1.152 118.456 119.600 0.014 0.000 2.229 92 M HA -0.093 4.386 4.480 -0.001 0.000 0.264 92 M C 2.143 178.449 176.300 0.010 0.000 1.063 92 M CA 1.683 56.990 55.300 0.012 0.000 1.114 92 M CB -0.944 31.662 32.600 0.011 0.000 1.387 92 M HN 0.330 nan 8.290 nan 0.000 0.420 93 M N -0.488 119.117 119.600 0.009 0.000 2.159 93 M HA -0.201 4.278 4.480 -0.001 0.000 0.263 93 M C 2.071 178.373 176.300 0.003 0.000 1.063 93 M CA 1.400 56.703 55.300 0.006 0.000 1.110 93 M CB -0.453 32.148 32.600 0.002 0.000 1.374 93 M HN 0.203 nan 8.290 nan 0.000 0.411 94 L N -0.321 120.904 121.223 0.003 0.000 2.072 94 L HA -0.162 4.177 4.340 -0.001 0.000 0.205 94 L C 2.481 179.354 176.870 0.006 0.000 1.079 94 L CA 1.154 55.995 54.840 0.002 0.000 0.752 94 L CB -0.538 41.525 42.059 0.005 0.000 0.906 94 L HN 0.223 nan 8.230 nan 0.000 0.436 95 K N 0.109 120.514 120.400 0.009 0.000 2.057 95 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 95 K C 2.180 178.785 176.600 0.009 0.000 1.050 95 K CA 1.150 57.443 56.287 0.010 0.000 0.935 95 K CB -0.147 32.360 32.500 0.011 0.000 0.715 95 K HN 0.255 nan 8.250 nan 0.000 0.439 96 R N 0.325 120.830 120.500 0.008 0.000 2.237 96 R HA -0.028 4.311 4.340 -0.001 0.000 0.219 96 R C 1.893 178.198 176.300 0.008 0.000 1.080 96 R CA 0.832 56.938 56.100 0.009 0.000 0.995 96 R CB -0.071 30.235 30.300 0.009 0.000 0.875 96 R HN 0.145 nan 8.270 nan 0.000 0.462 97 A N -0.201 122.623 122.820 0.007 0.000 2.251 97 A HA 0.244 4.563 4.320 -0.001 0.000 0.209 97 A C 1.362 178.949 177.584 0.006 0.000 1.187 97 A CA 0.747 52.788 52.037 0.006 0.000 0.823 97 A CB 0.186 19.188 19.000 0.002 0.000 0.846 97 A HN 0.404 nan 8.150 nan 0.000 0.486 98 G N -2.105 106.699 108.800 0.007 0.000 2.159 98 G HA2 0.135 4.094 3.960 -0.001 0.000 0.227 98 G HA3 0.135 4.094 3.960 -0.001 0.000 0.227 98 G C 0.454 175.358 174.900 0.007 0.000 0.986 98 G CA 0.196 45.301 45.100 0.007 0.000 0.651 98 G HN 1.465 nan 8.290 nan 0.000 0.523 99 A N -0.213 122.610 122.820 0.006 0.000 2.346 99 A HA 0.733 5.052 4.320 -0.001 0.000 0.252 99 A C 0.584 178.174 177.584 0.010 0.000 1.089 99 A CA 1.060 53.100 52.037 0.005 0.000 0.797 99 A CB 0.503 19.505 19.000 0.004 0.000 1.047 99 A HN 0.769 nan 8.150 nan 0.000 0.494 100 T N 2.336 116.895 114.554 0.009 0.000 2.770 100 T HA 0.410 4.760 4.350 -0.001 0.000 0.283 100 T C -0.148 174.565 174.700 0.022 0.000 0.988 100 T CA -0.215 61.894 62.100 0.015 0.000 0.957 100 T CB 0.511 69.384 68.868 0.009 0.000 0.930 100 T HN 0.366 nan 8.240 nan 0.000 0.443 101 I N 4.516 125.107 120.570 0.035 0.000 2.329 101 I HA 0.218 4.387 4.170 -0.001 0.000 0.295 101 I C 1.226 177.387 176.117 0.074 0.000 1.109 101 I CA -0.158 61.173 61.300 0.053 0.000 1.297 101 I CB 0.079 38.109 38.000 0.050 0.000 1.433 101 I HN 0.750 nan 8.210 nan 0.000 0.509 102 I N 4.565 125.184 120.570 0.082 0.000 3.251 102 I HA 0.178 4.347 4.170 -0.001 0.000 0.277 102 I C 0.889 177.121 176.117 0.191 0.000 1.268 102 I CA 0.380 61.736 61.300 0.093 0.000 1.449 102 I CB 0.413 38.388 38.000 -0.041 0.000 1.083 102 I HN 0.718 nan 8.210 nan 0.000 0.464 103 G N 0.269 109.226 108.800 0.261 0.000 2.316 103 G HA2 0.170 4.129 3.960 -0.001 0.000 0.296 103 G HA3 0.170 4.129 3.960 -0.001 0.000 0.296 103 G C -1.805 173.298 174.900 0.338 0.000 1.399 103 G CA -0.837 44.480 45.100 0.362 0.000 0.833 103 G HN -0.198 nan 8.290 nan 0.000 0.565 104 K N 1.448 122.019 120.400 0.285 0.000 2.213 104 K HA 0.605 4.924 4.320 -0.001 0.000 0.270 104 K C 0.463 177.066 176.600 0.005 0.000 1.002 104 K CA -0.463 55.892 56.287 0.114 0.000 0.868 104 K CB 1.347 33.899 32.500 0.086 0.000 1.093 104 K HN 0.862 nan 8.250 nan 0.000 0.454 105 T N -1.454 112.981 114.554 -0.198 0.000 2.922 105 T HA 0.256 4.605 4.350 -0.001 0.000 0.285 105 T C 0.547 175.127 174.700 -0.199 0.000 1.005 105 T CA -0.785 61.079 62.100 -0.392 0.000 1.061 105 T CB 0.634 69.188 68.868 -0.524 0.000 1.007 105 T HN 0.553 nan 8.240 nan 0.000 0.502 106 T N -0.088 114.357 114.554 -0.182 0.000 2.932 106 T HA 0.396 4.745 4.350 -0.001 0.000 0.312 106 T C 0.192 174.834 174.700 -0.097 0.000 1.071 106 T CA -0.537 61.503 62.100 -0.100 0.000 1.128 106 T CB 0.613 69.442 68.868 -0.066 0.000 0.984 106 T HN 0.929 nan 8.240 nan 0.000 0.549 107 T N 1.354 115.867 114.554 -0.069 0.000 2.903 107 T HA 0.592 4.941 4.350 -0.001 0.000 0.299 107 T C 0.130 174.798 174.700 -0.054 0.000 1.093 107 T CA -0.460 61.605 62.100 -0.059 0.000 1.002 107 T CB 1.396 70.230 68.868 -0.056 0.000 1.127 107 T HN 1.102 nan 8.240 nan 0.000 0.488 108 T N 1.664 116.196 114.554 -0.037 0.000 2.860 108 T HA 0.578 4.927 4.350 -0.001 0.000 0.299 108 T C 0.750 175.420 174.700 -0.050 0.000 1.045 108 T CA -0.409 61.675 62.100 -0.027 0.000 1.071 108 T CB 0.287 69.152 68.868 -0.005 0.000 0.985 108 T HN 0.975 nan 8.240 nan 0.000 0.537 109 A N 1.786 124.576 122.820 -0.049 0.000 2.553 109 A HA 0.381 4.700 4.320 -0.001 0.000 0.258 109 A C 0.538 178.125 177.584 0.004 0.000 1.069 109 A CA -0.416 51.542 52.037 -0.132 0.000 0.767 109 A CB -1.519 17.469 19.000 -0.021 0.000 0.997 109 A HN 1.065 nan 8.150 nan 0.000 0.512 110 F N 0.432 120.413 119.950 0.052 0.000 3.100 110 F HA -0.277 4.249 4.527 -0.001 0.000 0.283 110 F C 1.407 177.254 175.800 0.079 0.000 0.900 110 F CA 1.326 59.377 58.000 0.085 0.000 1.010 110 F CB -1.998 37.093 39.000 0.151 0.000 1.029 110 F HN 1.818 nan 8.300 nan 0.000 0.637 111 A N -1.207 121.665 122.820 0.086 0.000 2.872 111 A HA -0.168 4.151 4.320 -0.001 0.000 0.273 111 A C 1.045 178.556 177.584 -0.123 0.000 1.442 111 A CA 1.272 53.304 52.037 -0.009 0.000 0.801 111 A CB -1.684 17.316 19.000 0.000 0.000 1.031 111 A HN 0.855 nan 8.150 nan 0.000 0.582 112 S N -1.657 114.016 115.700 -0.045 0.000 2.638 112 S HA 0.596 5.065 4.470 -0.001 0.000 0.256 112 S C 1.547 176.130 174.600 -0.027 0.000 1.089 112 S CA 0.085 58.230 58.200 -0.093 0.000 1.020 112 S CB 0.496 63.729 63.200 0.054 0.000 1.252 112 S HN 0.537 nan 8.310 nan 0.000 0.542 113 R N 0.658 121.163 120.500 0.008 0.000 2.148 113 R HA 0.119 4.458 4.340 -0.001 0.000 0.223 113 R C -0.256 176.065 176.300 0.035 0.000 1.088 113 R CA 0.583 56.697 56.100 0.023 0.000 0.985 113 R CB -0.381 29.938 30.300 0.033 0.000 0.880 113 R HN 0.556 nan 8.270 nan 0.000 0.451 114 D N 3.200 123.625 120.400 0.042 0.000 2.389 114 D HA 0.055 4.694 4.640 -0.001 0.000 0.263 114 D C -2.226 174.090 176.300 0.027 0.000 1.255 114 D CA -0.744 53.279 54.000 0.038 0.000 0.914 114 D CB 0.856 41.684 40.800 0.047 0.000 1.116 114 D HN -0.027 nan 8.370 nan 0.000 0.502 115 P HA -0.038 nan 4.420 nan 0.000 0.267 115 P C 0.359 177.667 177.300 0.013 0.000 1.200 115 P CA -0.000 63.114 63.100 0.024 0.000 0.772 115 P CB 0.605 32.321 31.700 0.026 0.000 0.855 116 T N -1.321 113.239 114.554 0.011 0.000 2.852 116 T HA 0.533 4.882 4.350 -0.001 0.000 0.281 116 T C 1.034 175.739 174.700 0.009 0.000 0.993 116 T CA -0.237 61.864 62.100 0.002 0.000 0.933 116 T CB 0.665 69.530 68.868 -0.005 0.000 1.187 116 T HN 0.243 nan 8.240 nan 0.000 0.559 117 A N -0.035 122.788 122.820 0.004 0.000 2.251 117 A HA 0.333 4.652 4.320 -0.001 0.000 0.209 117 A C 1.187 178.815 177.584 0.073 0.000 1.187 117 A CA -0.259 51.781 52.037 0.005 0.000 0.823 117 A CB -0.909 18.053 19.000 -0.064 0.000 0.846 117 A HN 0.818 nan 8.150 nan 0.000 0.486 118 T N 1.171 115.768 114.554 0.071 0.000 2.940 118 T HA 0.420 4.769 4.350 -0.001 0.000 0.309 118 T C -0.100 174.651 174.700 0.084 0.000 1.056 118 T CA 0.602 62.757 62.100 0.092 0.000 1.137 118 T CB 0.422 69.305 68.868 0.026 0.000 0.976 118 T HN 0.252 nan 8.240 nan 0.000 0.547 119 L N 2.696 123.965 121.223 0.076 0.000 2.342 119 L HA 0.461 4.800 4.340 -0.001 0.000 0.271 119 L C 0.639 177.529 176.870 0.034 0.000 1.008 119 L CA -1.225 53.649 54.840 0.057 0.000 0.818 119 L CB 1.252 43.344 42.059 0.055 0.000 1.296 119 L HN 0.522 nan 8.230 nan 0.000 0.427 120 N N 2.474 121.211 118.700 0.062 0.000 2.447 120 N HA 0.046 4.785 4.740 -0.001 0.000 0.263 120 N C -1.925 173.600 175.510 0.025 0.000 1.226 120 N CA -1.068 52.027 53.050 0.075 0.000 0.906 120 N CB 1.613 40.174 38.487 0.122 0.000 1.060 120 N HN 0.315 nan 8.380 nan 0.000 0.468 121 P HA -0.099 nan 4.420 nan 0.000 0.219 121 P C 0.683 177.836 177.300 -0.244 0.000 1.146 121 P CA 1.265 64.262 63.100 -0.172 0.000 0.808 121 P CB 0.127 31.670 31.700 -0.262 0.000 0.779 122 H N -2.600 116.466 119.070 -0.007 0.000 2.512 122 H HA 0.147 4.702 4.556 -0.001 0.000 0.279 122 H C 0.539 175.858 175.328 -0.015 0.000 0.999 122 H CA 0.882 56.920 56.048 -0.017 0.000 1.283 122 H CB 0.176 29.921 29.762 -0.029 0.000 1.421 122 H HN 0.142 nan 8.280 nan 0.000 0.554 123 N N 0.440 119.199 118.700 0.098 0.000 2.812 123 N HA -0.062 4.677 4.740 -0.001 0.000 0.262 123 N C 0.552 176.135 175.510 0.122 0.000 1.241 123 N CA 0.227 53.337 53.050 0.101 0.000 0.854 123 N CB 0.905 39.455 38.487 0.105 0.000 1.506 123 N HN 0.083 nan 8.380 nan 0.000 0.576 124 T N -0.919 113.676 114.554 0.067 0.000 3.052 124 T HA -0.031 4.318 4.350 -0.001 0.000 0.270 124 T C 1.556 176.287 174.700 0.053 0.000 1.147 124 T CA 1.281 63.410 62.100 0.048 0.000 1.089 124 T CB -0.180 68.697 68.868 0.016 0.000 0.875 124 T HN 0.435 nan 8.240 nan 0.000 0.541 125 G N -0.208 108.635 108.800 0.072 0.000 2.985 125 G HA2 0.145 4.104 3.960 -0.001 0.000 0.209 125 G HA3 0.145 4.104 3.960 -0.001 0.000 0.209 125 G C 0.329 175.105 174.900 -0.206 0.000 1.165 125 G CA -0.303 44.775 45.100 -0.037 0.000 0.776 125 G HN 0.571 nan 8.290 nan 0.000 0.541 126 H N -0.576 118.487 119.070 -0.012 0.000 2.771 126 H HA 0.403 4.958 4.556 -0.001 0.000 0.367 126 H C -0.524 174.790 175.328 -0.023 0.000 1.172 126 H CA -0.618 55.410 56.048 -0.035 0.000 1.186 126 H CB 1.960 31.686 29.762 -0.061 0.000 1.790 126 H HN 0.089 nan 8.280 nan 0.000 0.556 127 S N 1.755 117.497 115.700 0.070 0.000 2.576 127 S HA 0.070 4.539 4.470 -0.001 0.000 0.276 127 S C -1.630 173.033 174.600 0.106 0.000 1.339 127 S CA -1.113 57.126 58.200 0.065 0.000 1.039 127 S CB 0.559 63.792 63.200 0.055 0.000 0.902 127 S HN 0.527 nan 8.310 nan 0.000 0.516 128 P HA 0.272 nan 4.420 nan 0.000 0.261 128 P C 0.708 178.173 177.300 0.274 0.000 1.268 128 P CA 0.465 63.664 63.100 0.164 0.000 0.833 128 P CB -0.445 31.298 31.700 0.073 0.000 1.231 129 G N -0.772 108.241 108.800 0.354 0.000 2.728 129 G HA2 0.221 4.180 3.960 -0.001 0.000 0.294 129 G HA3 0.221 4.180 3.960 -0.001 0.000 0.294 129 G C -0.400 174.589 174.900 0.148 0.000 1.342 129 G CA -0.650 44.676 45.100 0.377 0.000 0.866 129 G HN 0.576 nan 8.290 nan 0.000 0.534 130 G N -2.497 106.354 108.800 0.085 0.000 2.600 130 G HA2 0.759 4.718 3.960 -0.001 0.000 0.293 130 G HA3 0.759 4.718 3.960 -0.001 0.000 0.293 130 G C 0.784 175.701 174.900 0.030 0.000 1.408 130 G CA 0.837 45.963 45.100 0.044 0.000 0.782 130 G HN 2.066 nan 8.290 nan 0.000 0.482 131 S N -1.177 114.534 115.700 0.019 0.000 2.528 131 S HA 0.076 4.545 4.470 -0.001 0.000 0.219 131 S C 1.198 175.797 174.600 -0.002 0.000 0.985 131 S CA 0.817 59.019 58.200 0.003 0.000 0.914 131 S CB 0.193 63.381 63.200 -0.020 0.000 0.776 131 S HN 0.440 nan 8.310 nan 0.000 0.526 132 S N 2.688 118.401 115.700 0.023 0.000 3.456 132 S HA 0.264 4.733 4.470 -0.001 0.000 0.229 132 S C 1.145 175.658 174.600 -0.145 0.000 1.416 132 S CA -0.286 57.896 58.200 -0.030 0.000 1.197 132 S CB -0.358 62.906 63.200 0.106 0.000 1.201 132 S HN 0.497 nan 8.310 nan 0.000 0.479 133 S N 2.442 118.083 115.700 -0.097 0.000 2.359 133 S HA -0.145 4.324 4.470 -0.001 0.000 0.222 133 S C 2.335 176.828 174.600 -0.179 0.000 1.038 133 S CA 1.560 59.702 58.200 -0.096 0.000 1.051 133 S CB -0.761 62.413 63.200 -0.042 0.000 0.944 133 S HN 0.741 nan 8.310 nan 0.000 0.433 134 G N 0.750 109.423 108.800 -0.212 0.000 2.422 134 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.218 134 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.218 134 G C 1.556 176.199 174.900 -0.428 0.000 1.140 134 G CA 1.045 45.966 45.100 -0.299 0.000 0.775 134 G HN 0.505 nan 8.290 nan 0.000 0.545 135 S N 0.841 116.246 115.700 -0.492 0.000 2.368 135 S HA 0.033 4.502 4.470 -0.001 0.000 0.224 135 S C 2.789 176.906 174.600 -0.806 0.000 1.029 135 S CA 1.134 58.949 58.200 -0.641 0.000 0.988 135 S CB -0.296 62.478 63.200 -0.710 0.000 0.838 135 S HN 0.561 nan 8.310 nan 0.000 0.462 136 A N 1.481 123.751 122.820 -0.916 0.000 1.898 136 A HA 0.184 4.503 4.320 -0.001 0.000 0.216 136 A C 2.337 179.779 177.584 -0.237 0.000 1.181 136 A CA 1.611 53.293 52.037 -0.591 0.000 0.620 136 A CB -1.057 17.764 19.000 -0.297 0.000 0.819 136 A HN 0.499 nan 8.150 nan 0.000 0.442 137 A N -0.103 122.593 122.820 -0.206 0.000 1.898 137 A HA 0.186 4.505 4.320 -0.001 0.000 0.216 137 A C 2.498 180.007 177.584 -0.125 0.000 1.181 137 A CA 2.023 53.990 52.037 -0.118 0.000 0.620 137 A CB -0.998 17.944 19.000 -0.096 0.000 0.819 137 A HN 1.010 nan 8.150 nan 0.000 0.442 138 A N -0.536 122.173 122.820 -0.185 0.000 1.877 138 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 138 A C 2.240 179.783 177.584 -0.068 0.000 1.186 138 A CA 1.889 53.856 52.037 -0.117 0.000 0.620 138 A CB -0.975 17.888 19.000 -0.228 0.000 0.822 138 A HN 0.396 nan 8.150 nan 0.000 0.443 139 V N -0.105 119.753 119.914 -0.094 0.000 2.358 139 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 139 V C 2.805 178.890 176.094 -0.016 0.000 1.047 139 V CA 1.890 64.170 62.300 -0.033 0.000 1.035 139 V CB -1.414 30.413 31.823 0.005 0.000 0.658 139 V HN 0.621 nan 8.190 nan 0.000 0.452 140 G N -0.424 108.364 108.800 -0.020 0.000 2.448 140 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.219 140 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.219 140 G C 1.465 176.314 174.900 -0.086 0.000 1.127 140 G CA 0.879 45.979 45.100 0.000 0.000 0.766 140 G HN 0.632 nan 8.290 nan 0.000 0.552 141 A N -0.346 122.420 122.820 -0.091 0.000 2.251 141 A HA 0.488 4.807 4.320 -0.001 0.000 0.209 141 A C 1.911 179.454 177.584 -0.068 0.000 1.187 141 A CA 1.158 53.132 52.037 -0.106 0.000 0.823 141 A CB -0.404 18.544 19.000 -0.087 0.000 0.846 141 A HN 1.549 nan 8.150 nan 0.000 0.486 142 G N -0.966 107.807 108.800 -0.045 0.000 2.176 142 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.252 142 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.252 142 G C 0.724 175.608 174.900 -0.026 0.000 1.024 142 G CA 0.696 45.778 45.100 -0.031 0.000 0.755 142 G HN 0.384 nan 8.290 nan 0.000 0.507 143 M N -0.644 118.947 119.600 -0.015 0.000 2.248 143 M HA 0.304 4.783 4.480 -0.001 0.000 0.265 143 M C 1.480 177.775 176.300 -0.009 0.000 1.079 143 M CA 1.552 56.848 55.300 -0.007 0.000 1.150 143 M CB 0.081 32.718 32.600 0.062 0.000 1.366 143 M HN 0.581 nan 8.290 nan 0.000 0.433 144 I N -3.906 116.671 120.570 0.011 0.000 2.994 144 I HA 0.382 4.551 4.170 -0.001 0.000 0.306 144 I C -2.419 173.697 176.117 -0.001 0.000 1.195 144 I CA -2.117 59.187 61.300 0.006 0.000 1.001 144 I CB 1.936 39.967 38.000 0.052 0.000 1.244 144 I HN -0.216 nan 8.210 nan 0.000 0.437 145 P HA 0.149 nan 4.420 nan 0.000 0.235 145 P C -0.155 177.145 177.300 -0.001 0.000 1.177 145 P CA 0.602 63.697 63.100 -0.010 0.000 0.785 145 P CB 0.858 32.547 31.700 -0.018 0.000 0.885 146 L N -0.923 120.306 121.223 0.010 0.000 2.518 146 L HA 0.759 5.098 4.340 -0.001 0.000 0.257 146 L C -1.942 174.950 176.870 0.037 0.000 0.980 146 L CA -0.899 53.956 54.840 0.025 0.000 0.837 146 L CB 2.205 44.268 42.059 0.006 0.000 1.410 146 L HN -0.080 nan 8.230 nan 0.000 0.410 147 A N 3.720 126.588 122.820 0.079 0.000 2.574 147 A HA 0.777 5.096 4.320 -0.001 0.000 0.297 147 A C -2.055 175.635 177.584 0.177 0.000 1.062 147 A CA -0.526 51.552 52.037 0.068 0.000 0.686 147 A CB 1.362 20.335 19.000 -0.045 0.000 1.285 147 A HN 0.642 nan 8.150 nan 0.000 0.403 148 L N 1.366 122.660 121.223 0.118 0.000 2.331 148 L HA 0.803 5.143 4.340 -0.001 0.000 0.275 148 L C 0.766 177.749 176.870 0.188 0.000 1.022 148 L CA -0.374 54.556 54.840 0.149 0.000 0.812 148 L CB 2.019 44.122 42.059 0.073 0.000 1.257 148 L HN 0.991 nan 8.230 nan 0.000 0.435 149 G N 0.365 109.330 108.800 0.273 0.000 2.870 149 G HA2 0.729 4.688 3.960 -0.001 0.000 0.299 149 G HA3 0.729 4.688 3.960 -0.001 0.000 0.299 149 G C -1.154 173.852 174.900 0.178 0.000 1.324 149 G CA -0.197 45.072 45.100 0.280 0.000 0.808 149 G HN 0.546 nan 8.290 nan 0.000 0.535 150 T N -2.871 111.777 114.554 0.156 0.000 2.864 150 T HA 0.718 5.067 4.350 -0.001 0.000 0.299 150 T C -1.023 173.743 174.700 0.110 0.000 1.166 150 T CA -0.657 61.513 62.100 0.118 0.000 1.007 150 T CB 2.249 71.182 68.868 0.108 0.000 1.219 150 T HN 0.775 nan 8.240 nan 0.000 0.506 151 Q N 0.066 119.931 119.800 0.109 0.000 2.271 151 Q HA 0.598 4.937 4.340 -0.001 0.000 0.268 151 Q C -0.697 175.379 176.000 0.126 0.000 1.021 151 Q CA -0.656 55.208 55.803 0.101 0.000 0.802 151 Q CB 2.081 30.875 28.738 0.093 0.000 1.282 151 Q HN 0.842 nan 8.270 nan 0.000 0.431 152 T N 1.451 116.066 114.554 0.102 0.000 3.028 152 T HA 0.270 4.620 4.350 -0.001 0.000 0.250 152 T C 0.604 175.421 174.700 0.196 0.000 0.979 152 T CA 0.644 62.823 62.100 0.132 0.000 1.004 152 T CB 0.660 69.572 68.868 0.073 0.000 1.120 152 T HN 0.655 nan 8.240 nan 0.000 0.482 153 G N 0.635 109.498 108.800 0.105 0.000 2.531 153 G HA2 0.490 4.449 3.960 -0.001 0.000 0.210 153 G HA3 0.490 4.449 3.960 -0.001 0.000 0.210 153 G C 0.844 175.754 174.900 0.016 0.000 1.547 153 G CA 0.497 45.618 45.100 0.035 0.000 0.740 153 G HN 0.475 nan 8.290 nan 0.000 0.611 154 G N 0.061 108.875 108.800 0.023 0.000 4.908 154 G HA2 0.339 4.299 3.960 -0.001 0.000 0.267 154 G HA3 0.339 4.299 3.960 -0.001 0.000 0.267 154 G C 0.700 175.619 174.900 0.033 0.000 0.958 154 G CA 0.717 45.843 45.100 0.044 0.000 0.743 154 G HN 0.255 nan 8.290 nan 0.000 0.410 155 S N -0.082 115.644 115.700 0.042 0.000 2.595 155 S HA -0.001 4.469 4.470 -0.001 0.000 0.235 155 S C 1.952 176.634 174.600 0.138 0.000 0.974 155 S CA 0.697 58.935 58.200 0.063 0.000 0.942 155 S CB 0.306 63.535 63.200 0.048 0.000 0.766 155 S HN 0.267 nan 8.310 nan 0.000 0.536 156 V N 0.530 120.500 119.914 0.094 0.000 2.840 156 V HA 0.110 4.229 4.120 -0.001 0.000 0.234 156 V C 1.893 177.967 176.094 -0.033 0.000 1.159 156 V CA 0.301 62.626 62.300 0.043 0.000 1.194 156 V CB -0.143 31.592 31.823 -0.146 0.000 0.971 156 V HN 0.335 nan 8.190 nan 0.000 0.494 157 I N 0.652 121.198 120.570 -0.041 0.000 2.252 157 I HA -0.170 3.999 4.170 -0.001 0.000 0.245 157 I C 2.524 178.616 176.117 -0.042 0.000 1.102 157 I CA 1.689 62.964 61.300 -0.042 0.000 1.385 157 I CB -1.096 36.902 38.000 -0.003 0.000 1.064 157 I HN 0.310 nan 8.210 nan 0.000 0.414 158 R N 1.360 121.816 120.500 -0.073 0.000 2.062 158 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 158 R C -0.395 175.688 176.300 -0.363 0.000 1.136 158 R CA 1.754 57.693 56.100 -0.268 0.000 0.948 158 R CB -1.079 29.050 30.300 -0.285 0.000 0.845 158 R HN 0.224 nan 8.270 nan 0.000 0.430 159 P HA -0.112 nan 4.420 nan 0.000 0.218 159 P C 0.827 178.214 177.300 0.146 0.000 1.149 159 P CA 1.829 64.942 63.100 0.021 0.000 0.817 159 P CB -0.018 31.740 31.700 0.097 0.000 0.785 160 A N 0.840 123.804 122.820 0.239 0.000 1.877 160 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 160 A C 2.547 180.208 177.584 0.128 0.000 1.186 160 A CA 2.244 54.436 52.037 0.258 0.000 0.620 160 A CB -1.565 17.528 19.000 0.155 0.000 0.822 160 A HN 0.233 nan 8.150 nan 0.000 0.443 161 A N -1.223 121.626 122.820 0.048 0.000 1.877 161 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 161 A C 2.148 179.829 177.584 0.162 0.000 1.186 161 A CA 1.486 53.555 52.037 0.054 0.000 0.620 161 A CB -0.968 18.032 19.000 0.001 0.000 0.822 161 A HN 0.683 nan 8.150 nan 0.000 0.443 162 Y N -1.208 119.122 120.300 0.050 0.000 2.274 162 Y HA -0.268 4.282 4.550 -0.001 0.000 0.290 162 Y C 2.321 178.249 175.900 0.047 0.000 1.145 162 Y CA 0.703 58.825 58.100 0.036 0.000 1.203 162 Y CB -0.198 38.298 38.460 0.059 0.000 0.984 162 Y HN 0.380 nan 8.280 nan 0.000 0.533 163 C N -0.435 119.015 119.300 0.251 0.000 2.791 163 C HA 0.320 4.779 4.460 -0.001 0.000 0.270 163 C C 1.658 176.796 174.990 0.247 0.000 1.257 163 C CA 0.523 59.696 59.018 0.258 0.000 1.699 163 C CB -0.657 27.192 27.740 0.182 0.000 1.904 163 C HN 0.786 nan 8.230 nan 0.000 0.603 164 G N 2.455 111.318 108.800 0.105 0.000 2.221 164 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.265 164 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.265 164 G C 0.120 175.076 174.900 0.093 0.000 1.041 164 G CA 0.778 45.906 45.100 0.045 0.000 0.807 164 G HN 0.693 nan 8.290 nan 0.000 0.502 165 T N -2.720 111.901 114.554 0.112 0.000 2.950 165 T HA 0.878 5.227 4.350 -0.001 0.000 0.288 165 T C 0.451 175.189 174.700 0.064 0.000 1.035 165 T CA 0.362 62.524 62.100 0.103 0.000 1.028 165 T CB 2.235 71.201 68.868 0.165 0.000 1.109 165 T HN 1.724 nan 8.240 nan 0.000 0.514 166 A N 0.950 123.783 122.820 0.023 0.000 2.322 166 A HA 0.840 5.159 4.320 -0.001 0.000 0.269 166 A C 0.351 177.901 177.584 -0.057 0.000 1.094 166 A CA -0.244 51.773 52.037 -0.033 0.000 0.807 166 A CB -0.238 18.718 19.000 -0.072 0.000 1.047 166 A HN 1.873 nan 8.150 nan 0.000 0.487 167 A N 0.748 123.486 122.820 -0.137 0.000 2.599 167 A HA 0.644 4.963 4.320 -0.001 0.000 0.294 167 A C -1.152 176.279 177.584 -0.255 0.000 1.055 167 A CA -0.219 51.639 52.037 -0.298 0.000 0.683 167 A CB 0.692 19.375 19.000 -0.529 0.000 1.278 167 A HN 1.662 nan 8.150 nan 0.000 0.412 168 I N 0.964 121.362 120.570 -0.287 0.000 2.619 168 I HA 0.563 4.732 4.170 -0.001 0.000 0.292 168 I C -0.774 175.237 176.117 -0.177 0.000 1.100 168 I CA -0.587 60.602 61.300 -0.185 0.000 1.043 168 I CB 1.773 39.694 38.000 -0.130 0.000 1.239 168 I HN 0.658 nan 8.210 nan 0.000 0.420 169 K N 9.032 129.373 120.400 -0.098 0.000 2.414 169 K HA 0.525 4.844 4.320 -0.001 0.000 0.251 169 K C -2.769 173.836 176.600 0.008 0.000 1.037 169 K CA -1.652 54.614 56.287 -0.034 0.000 0.980 169 K CB 1.221 33.732 32.500 0.018 0.000 1.280 169 K HN 0.280 nan 8.250 nan 0.000 0.451 170 P HA -0.018 nan 4.420 nan 0.000 0.272 170 P C -0.531 176.791 177.300 0.037 0.000 1.248 170 P CA -0.174 62.933 63.100 0.012 0.000 0.799 170 P CB 0.464 32.164 31.700 0.001 0.000 0.997 171 S N -0.026 115.646 115.700 -0.047 0.000 2.558 171 S HA 0.014 4.484 4.470 -0.001 0.000 0.288 171 S C 0.166 174.822 174.600 0.095 0.000 1.318 171 S CA -0.137 57.968 58.200 -0.158 0.000 1.056 171 S CB -0.553 62.240 63.200 -0.679 0.000 0.853 171 S HN 0.285 nan 8.310 nan 0.000 0.505 172 F N 3.756 123.829 119.950 0.205 0.000 2.635 172 F HA 0.009 4.534 4.527 -0.002 0.000 0.379 172 F C 1.563 177.516 175.800 0.254 0.000 1.094 172 F CA 0.332 58.501 58.000 0.283 0.000 1.300 172 F CB -0.142 39.088 39.000 0.383 0.000 1.035 172 F HN 0.765 nan 8.300 nan 0.000 0.581 173 R N 2.750 122.966 120.500 -0.473 0.000 4.016 173 R HA -0.319 4.020 4.340 -0.001 0.000 0.385 173 R C 1.545 177.770 176.300 -0.125 0.000 1.158 173 R CA 1.286 57.131 56.100 -0.424 0.000 1.117 173 R CB -1.974 28.000 30.300 -0.544 0.000 1.635 173 R HN 0.850 nan 8.270 nan 0.000 0.560 174 M N 0.677 120.252 119.600 -0.042 0.000 2.132 174 M HA -0.042 4.437 4.480 -0.001 0.000 0.263 174 M C 0.429 176.728 176.300 -0.003 0.000 1.065 174 M CA 1.693 56.990 55.300 -0.005 0.000 1.122 174 M CB 0.282 32.890 32.600 0.013 0.000 1.365 174 M HN 0.150 nan 8.290 nan 0.000 0.411 175 L N 2.322 123.539 121.223 -0.009 0.000 2.307 175 L HA 0.387 4.726 4.340 -0.001 0.000 0.282 175 L C -2.030 174.832 176.870 -0.013 0.000 1.051 175 L CA -2.285 52.552 54.840 -0.005 0.000 0.804 175 L CB 0.714 42.772 42.059 -0.002 0.000 1.197 175 L HN 0.112 nan 8.230 nan 0.000 0.431 176 P HA 0.067 nan 4.420 nan 0.000 0.271 176 P C 0.126 177.435 177.300 0.014 0.000 1.218 176 P CA -0.270 62.827 63.100 -0.004 0.000 0.780 176 P CB 0.924 32.626 31.700 0.004 0.000 0.901 177 T N -2.184 112.383 114.554 0.022 0.000 3.145 177 T HA 0.162 4.511 4.350 -0.001 0.000 0.255 177 T C 0.664 175.399 174.700 0.058 0.000 1.039 177 T CA -0.346 61.787 62.100 0.055 0.000 0.928 177 T CB -0.509 68.411 68.868 0.086 0.000 1.029 177 T HN 0.083 nan 8.240 nan 0.000 0.554 178 V N 2.048 121.986 119.914 0.040 0.000 2.673 178 V HA 0.438 4.557 4.120 -0.001 0.000 0.303 178 V C 1.702 177.825 176.094 0.049 0.000 1.046 178 V CA 1.060 63.384 62.300 0.040 0.000 1.126 178 V CB -0.085 31.755 31.823 0.027 0.000 0.934 178 V HN 0.836 nan 8.190 nan 0.000 0.487 179 G N 3.589 112.424 108.800 0.057 0.000 2.153 179 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.252 179 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.252 179 G C -0.096 174.848 174.900 0.073 0.000 0.994 179 G CA 0.109 45.250 45.100 0.067 0.000 0.698 179 G HN 0.864 nan 8.290 nan 0.000 0.521 180 V N 0.443 120.403 119.914 0.077 0.000 2.378 180 V HA 0.481 4.600 4.120 -0.001 0.000 0.288 180 V C 0.610 176.764 176.094 0.099 0.000 1.016 180 V CA -1.268 61.083 62.300 0.085 0.000 0.840 180 V CB 1.659 33.536 31.823 0.089 0.000 0.994 180 V HN 0.373 nan 8.190 nan 0.000 0.431 181 K N 3.682 124.136 120.400 0.089 0.000 2.473 181 K HA -0.033 4.286 4.320 -0.001 0.000 0.277 181 K C -0.226 176.469 176.600 0.159 0.000 1.052 181 K CA 0.452 56.799 56.287 0.101 0.000 1.114 181 K CB -0.258 32.288 32.500 0.077 0.000 0.869 181 K HN 0.802 nan 8.250 nan 0.000 0.481 182 C N 5.927 125.328 119.300 0.168 0.000 2.527 182 C HA 0.347 4.806 4.460 -0.001 0.000 0.396 182 C C 0.936 176.068 174.990 0.236 0.000 1.289 182 C CA -0.546 58.605 59.018 0.221 0.000 2.047 182 C CB -0.591 27.293 27.740 0.240 0.000 2.568 182 C HN 0.960 nan 8.230 nan 0.000 0.573 183 Y N 2.885 123.259 120.300 0.123 0.000 2.576 183 Y HA 0.320 4.870 4.550 -0.001 0.000 0.282 183 Y C 1.170 177.074 175.900 0.006 0.000 1.139 183 Y CA 0.843 58.977 58.100 0.057 0.000 1.265 183 Y CB 0.107 38.599 38.460 0.054 0.000 1.376 183 Y HN 0.627 nan 8.280 nan 0.000 0.511 184 S N 0.204 116.018 115.700 0.191 0.000 2.776 184 S HA 0.163 4.633 4.470 -0.001 0.000 0.284 184 S C -0.233 174.411 174.600 0.073 0.000 1.160 184 S CA -0.615 57.553 58.200 -0.055 0.000 1.051 184 S CB -0.347 62.820 63.200 -0.055 0.000 1.037 184 S HN 0.462 nan 8.310 nan 0.000 0.485 185 W N 4.210 125.597 121.300 0.145 0.000 2.465 185 W HA 0.194 4.852 4.660 -0.003 0.000 0.268 185 W C 1.458 178.152 176.519 0.292 0.000 1.242 185 W CA 0.806 58.269 57.345 0.196 0.000 1.248 185 W CB -0.636 28.913 29.460 0.149 0.000 1.118 185 W HN 0.683 nan 8.180 nan 0.000 0.587 186 A N 0.441 123.239 122.820 -0.037 0.000 2.167 186 A HA 0.153 4.472 4.320 -0.001 0.000 0.214 186 A C 1.898 179.412 177.584 -0.116 0.000 1.151 186 A CA 1.235 53.286 52.037 0.024 0.000 0.735 186 A CB -0.380 18.519 19.000 -0.168 0.000 0.802 186 A HN 0.492 nan 8.150 nan 0.000 0.467 187 L N -1.705 119.525 121.223 0.011 0.000 2.694 187 L HA 0.162 4.502 4.340 -0.001 0.000 0.228 187 L C -0.445 176.584 176.870 0.265 0.000 1.048 187 L CA -0.393 54.441 54.840 -0.009 0.000 0.887 187 L CB -0.201 41.843 42.059 -0.025 0.000 1.265 187 L HN 0.000 nan 8.230 nan 0.000 0.492 188 D N 2.354 122.945 120.400 0.318 0.000 2.662 188 D HA 0.075 4.714 4.640 -0.001 0.000 0.233 188 D C -0.127 176.394 176.300 0.370 0.000 1.129 188 D CA 1.029 55.213 54.000 0.308 0.000 0.851 188 D CB 0.599 41.565 40.800 0.277 0.000 1.152 188 D HN 0.047 nan 8.370 nan 0.000 0.507 189 T N 1.300 116.020 114.554 0.277 0.000 2.921 189 T HA 0.322 4.671 4.350 -0.001 0.000 0.297 189 T C 0.037 174.824 174.700 0.145 0.000 1.013 189 T CA -0.744 61.503 62.100 0.245 0.000 0.990 189 T CB 1.656 70.706 68.868 0.303 0.000 1.023 189 T HN -0.012 nan 8.240 nan 0.000 0.447 190 V N 2.642 122.616 119.914 0.101 0.000 2.686 190 V HA 0.683 4.802 4.120 -0.001 0.000 0.295 190 V C 0.928 177.043 176.094 0.034 0.000 1.055 190 V CA 0.040 62.381 62.300 0.068 0.000 1.050 190 V CB 1.210 33.062 31.823 0.048 0.000 0.984 190 V HN 1.084 nan 8.190 nan 0.000 0.482 191 G N 3.613 112.422 108.800 0.016 0.000 2.730 191 G HA2 0.747 4.706 3.960 -0.001 0.000 0.289 191 G HA3 0.747 4.706 3.960 -0.001 0.000 0.289 191 G C -1.810 173.035 174.900 -0.092 0.000 1.341 191 G CA -0.702 44.354 45.100 -0.074 0.000 0.932 191 G HN 0.445 nan 8.290 nan 0.000 0.481 192 L N -0.693 120.404 121.223 -0.209 0.000 2.370 192 L HA 0.711 5.050 4.340 -0.001 0.000 0.266 192 L C -1.092 175.592 176.870 -0.310 0.000 1.002 192 L CA -0.555 54.206 54.840 -0.132 0.000 0.818 192 L CB 1.996 43.992 42.059 -0.104 0.000 1.325 192 L HN 0.415 nan 8.230 nan 0.000 0.418 193 F N 0.105 120.024 119.950 -0.052 0.000 2.532 193 F HA 0.869 5.395 4.527 -0.001 0.000 0.321 193 F C 0.672 176.438 175.800 -0.056 0.000 1.089 193 F CA -0.554 57.416 58.000 -0.049 0.000 0.926 193 F CB 2.320 41.293 39.000 -0.044 0.000 1.168 193 F HN 0.493 nan 8.300 nan 0.000 0.459 194 G N 0.051 108.915 108.800 0.107 0.000 2.606 194 G HA2 0.525 4.484 3.960 -0.001 0.000 0.300 194 G HA3 0.525 4.484 3.960 -0.001 0.000 0.300 194 G C -0.153 174.752 174.900 0.008 0.000 1.360 194 G CA -0.178 44.940 45.100 0.030 0.000 0.783 194 G HN 0.785 nan 8.290 nan 0.000 0.484 195 A N -0.580 122.224 122.820 -0.026 0.000 1.854 195 A HA 0.363 4.682 4.320 -0.001 0.000 0.214 195 A C 1.396 178.938 177.584 -0.070 0.000 1.192 195 A CA 1.109 53.125 52.037 -0.035 0.000 0.611 195 A CB -0.154 18.819 19.000 -0.045 0.000 0.832 195 A HN 0.578 nan 8.150 nan 0.000 0.442 196 R N -3.602 116.821 120.500 -0.129 0.000 2.888 196 R HA 0.586 4.925 4.340 -0.001 0.000 0.264 196 R C 1.002 177.150 176.300 -0.253 0.000 1.045 196 R CA -0.108 55.872 56.100 -0.200 0.000 0.962 196 R CB 1.290 31.420 30.300 -0.283 0.000 1.210 196 R HN 0.182 nan 8.270 nan 0.000 0.479 197 A N 0.733 123.374 122.820 -0.297 0.000 1.940 197 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 197 A C 1.899 179.270 177.584 -0.355 0.000 1.176 197 A CA 2.126 54.010 52.037 -0.255 0.000 0.631 197 A CB -0.540 18.369 19.000 -0.151 0.000 0.814 197 A HN 0.891 nan 8.150 nan 0.000 0.446 198 E N -0.102 119.672 120.200 -0.709 0.000 2.153 198 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 198 E C 1.095 177.501 176.600 -0.323 0.000 0.988 198 E CA 1.385 57.349 56.400 -0.725 0.000 0.811 198 E CB -0.173 28.832 29.700 -1.158 0.000 0.746 198 E HN 0.607 nan 8.360 nan 0.000 0.466 199 D N 0.637 120.874 120.400 -0.271 0.000 2.144 199 D HA -0.131 4.508 4.640 -0.001 0.000 0.200 199 D C 2.173 178.392 176.300 -0.135 0.000 0.978 199 D CA 0.837 54.741 54.000 -0.161 0.000 0.833 199 D CB -0.078 40.645 40.800 -0.129 0.000 0.961 199 D HN 0.328 nan 8.370 nan 0.000 0.470 200 L N 0.877 122.010 121.223 -0.150 0.000 2.093 200 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 200 L C 2.656 179.425 176.870 -0.167 0.000 1.085 200 L CA 0.923 55.675 54.840 -0.147 0.000 0.755 200 L CB -0.469 41.504 42.059 -0.142 0.000 0.904 200 L HN -0.044 nan 8.230 nan 0.000 0.435 201 A N -0.014 122.737 122.820 -0.115 0.000 1.873 201 A HA -0.162 4.157 4.320 -0.001 0.000 0.215 201 A C 2.430 179.972 177.584 -0.070 0.000 1.186 201 A CA 1.164 53.172 52.037 -0.047 0.000 0.616 201 A CB -0.400 18.660 19.000 0.100 0.000 0.823 201 A HN 0.223 nan 8.150 nan 0.000 0.442 202 R N -0.629 119.838 120.500 -0.055 0.000 2.105 202 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 202 R C 2.352 178.609 176.300 -0.072 0.000 1.135 202 R CA 1.352 57.430 56.100 -0.036 0.000 0.967 202 R CB -1.137 29.142 30.300 -0.035 0.000 0.861 202 R HN 0.556 nan 8.270 nan 0.000 0.442 203 G N 0.930 109.663 108.800 -0.111 0.000 2.404 203 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.215 203 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.215 203 G C 1.602 176.395 174.900 -0.178 0.000 1.174 203 G CA 0.227 45.256 45.100 -0.118 0.000 0.780 203 G HN 0.186 nan 8.290 nan 0.000 0.537 204 L N -0.243 120.784 121.223 -0.327 0.000 2.141 204 L HA 0.005 4.344 4.340 -0.001 0.000 0.209 204 L C 2.661 179.305 176.870 -0.377 0.000 1.094 204 L CA 0.285 54.793 54.840 -0.554 0.000 0.763 204 L CB -0.311 40.984 42.059 -1.273 0.000 0.908 204 L HN 0.227 nan 8.230 nan 0.000 0.437 205 L N 0.235 121.348 121.223 -0.184 0.000 2.046 205 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 205 L C 2.581 179.468 176.870 0.029 0.000 1.077 205 L CA 2.076 56.949 54.840 0.055 0.000 0.747 205 L CB -0.703 41.419 42.059 0.106 0.000 0.896 205 L HN 0.123 nan 8.230 nan 0.000 0.432 206 A N -0.938 121.873 122.820 -0.014 0.000 1.969 206 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 206 A C 2.238 179.817 177.584 -0.008 0.000 1.169 206 A CA 1.859 53.893 52.037 -0.004 0.000 0.635 206 A CB -0.471 18.521 19.000 -0.013 0.000 0.810 206 A HN 0.537 nan 8.150 nan 0.000 0.445 207 M N -0.559 119.020 119.600 -0.035 0.000 2.193 207 M HA -0.086 4.393 4.480 -0.001 0.000 0.265 207 M C 2.353 178.652 176.300 -0.002 0.000 1.071 207 M CA 1.934 57.217 55.300 -0.028 0.000 1.140 207 M CB -0.320 32.244 32.600 -0.059 0.000 1.369 207 M HN 0.654 nan 8.290 nan 0.000 0.423 208 T N -3.784 110.779 114.554 0.015 0.000 3.040 208 T HA 0.283 4.632 4.350 -0.001 0.000 0.252 208 T C 1.563 176.317 174.700 0.089 0.000 1.064 208 T CA 0.765 62.907 62.100 0.070 0.000 1.110 208 T CB 0.142 69.100 68.868 0.151 0.000 0.921 208 T HN 0.560 nan 8.240 nan 0.000 0.480 209 G N 2.093 110.950 108.800 0.096 0.000 2.168 209 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.263 209 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.263 209 G C 0.136 175.096 174.900 0.100 0.000 0.977 209 G CA 0.062 45.212 45.100 0.084 0.000 0.659 209 G HN 0.705 nan 8.290 nan 0.000 0.533 210 R N 0.731 121.328 120.500 0.161 0.000 2.347 210 R HA 0.412 4.751 4.340 -0.001 0.000 0.304 210 R C 1.981 178.320 176.300 0.065 0.000 1.072 210 R CA 0.369 56.530 56.100 0.102 0.000 0.980 210 R CB 0.834 31.190 30.300 0.093 0.000 0.986 210 R HN 0.438 nan 8.270 nan 0.000 0.448 211 S N 2.293 117.994 115.700 0.002 0.000 2.440 211 S HA -0.218 4.251 4.470 -0.001 0.000 0.238 211 S C 1.412 175.973 174.600 -0.064 0.000 1.010 211 S CA 1.431 59.625 58.200 -0.009 0.000 0.972 211 S CB -0.228 62.961 63.200 -0.017 0.000 0.774 211 S HN 0.794 nan 8.310 nan 0.000 0.501 212 E N 0.374 120.454 120.200 -0.200 0.000 2.333 212 E HA -0.101 4.248 4.350 -0.001 0.000 0.198 212 E C 0.890 177.274 176.600 -0.360 0.000 1.007 212 E CA 0.778 56.978 56.400 -0.333 0.000 0.845 212 E CB -0.604 28.786 29.700 -0.516 0.000 0.766 212 E HN 0.755 nan 8.360 nan 0.000 0.507 213 F N 1.097 121.059 119.950 0.020 0.000 2.664 213 F HA 0.211 4.737 4.527 -0.002 0.000 0.303 213 F C 0.944 176.770 175.800 0.043 0.000 1.092 213 F CA -0.538 57.480 58.000 0.030 0.000 1.305 213 F CB 1.062 40.072 39.000 0.017 0.000 1.054 213 F HN -0.124 nan 8.300 nan 0.000 0.565 214 S N -0.042 115.750 115.700 0.154 0.000 2.480 214 S HA 0.502 4.971 4.470 -0.001 0.000 0.286 214 S C 0.778 175.434 174.600 0.093 0.000 1.180 214 S CA 0.206 58.476 58.200 0.117 0.000 1.075 214 S CB 0.929 64.177 63.200 0.079 0.000 0.996 214 S HN 0.623 nan 8.310 nan 0.000 0.487 215 G N 4.311 113.174 108.800 0.106 0.000 2.160 215 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.251 215 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.251 215 G C 0.123 175.078 174.900 0.092 0.000 1.008 215 G CA 0.187 45.338 45.100 0.086 0.000 0.724 215 G HN 0.757 nan 8.290 nan 0.000 0.514 216 I N -0.082 120.584 120.570 0.160 0.000 2.692 216 I HA 0.304 4.473 4.170 -0.001 0.000 0.284 216 I C 0.788 176.967 176.117 0.104 0.000 1.159 216 I CA 0.075 61.481 61.300 0.176 0.000 1.423 216 I CB 0.997 39.175 38.000 0.296 0.000 1.380 216 I HN -0.062 nan 8.210 nan 0.000 0.580 217 V N 6.793 126.652 119.914 -0.092 0.000 2.962 217 V HA 0.360 4.480 4.120 -0.001 0.000 0.313 217 V C -2.303 173.500 176.094 -0.485 0.000 1.099 217 V CA -1.807 60.223 62.300 -0.449 0.000 0.971 217 V CB 2.128 33.788 31.823 -0.271 0.000 1.028 217 V HN 0.591 nan 8.190 nan 0.000 0.430 218 P HA 0.157 nan 4.420 nan 0.000 0.265 218 P C -0.473 176.738 177.300 -0.150 0.000 1.187 218 P CA 0.290 63.114 63.100 -0.461 0.000 0.766 218 P CB 0.345 31.712 31.700 -0.555 0.000 0.820 219 A N 3.661 126.468 122.820 -0.022 0.000 2.425 219 A HA 0.309 4.628 4.320 -0.001 0.000 0.242 219 A C 0.137 177.610 177.584 -0.184 0.000 1.077 219 A CA 0.133 52.123 52.037 -0.078 0.000 0.781 219 A CB 0.097 19.031 19.000 -0.111 0.000 1.020 219 A HN 0.340 nan 8.150 nan 0.000 0.494 220 K N 0.704 120.985 120.400 -0.198 0.000 2.292 220 K HA 0.565 4.884 4.320 -0.001 0.000 0.257 220 K C 0.102 176.533 176.600 -0.283 0.000 0.940 220 K CA 0.140 56.303 56.287 -0.206 0.000 0.811 220 K CB 1.387 33.829 32.500 -0.096 0.000 1.120 220 K HN 1.672 nan 8.250 nan 0.000 0.428 221 A N 2.836 125.449 122.820 -0.345 0.000 2.415 221 A HA -0.148 4.172 4.320 -0.001 0.000 0.292 221 A C -2.159 175.257 177.584 -0.279 0.000 1.452 221 A CA -0.243 51.636 52.037 -0.264 0.000 0.750 221 A CB -1.906 17.025 19.000 -0.115 0.000 1.099 221 A HN 0.418 nan 8.150 nan 0.000 0.391 222 P HA 0.286 nan 4.420 nan 0.000 0.268 222 P C 0.117 177.345 177.300 -0.121 0.000 1.205 222 P CA 0.055 63.003 63.100 -0.252 0.000 0.771 222 P CB 0.464 31.945 31.700 -0.365 0.000 0.858 223 R N 2.997 123.478 120.500 -0.032 0.000 2.205 223 R HA 0.400 4.739 4.340 -0.001 0.000 0.342 223 R C -0.166 176.137 176.300 0.005 0.000 1.058 223 R CA -0.249 55.844 56.100 -0.011 0.000 0.904 223 R CB -0.008 30.295 30.300 0.004 0.000 1.089 223 R HN 0.480 nan 8.270 nan 0.000 0.471 224 I N 1.378 121.944 120.570 -0.008 0.000 2.377 224 I HA 0.325 4.495 4.170 -0.001 0.000 0.293 224 I C 0.733 176.832 176.117 -0.030 0.000 0.987 224 I CA -0.665 60.629 61.300 -0.010 0.000 1.185 224 I CB 2.089 40.091 38.000 0.002 0.000 1.341 224 I HN 0.600 nan 8.210 nan 0.000 0.455 225 G N 5.858 114.625 108.800 -0.055 0.000 2.468 225 G HA2 0.492 4.451 3.960 -0.001 0.000 0.320 225 G HA3 0.492 4.451 3.960 -0.001 0.000 0.320 225 G C -0.538 174.314 174.900 -0.079 0.000 1.137 225 G CA -0.334 44.723 45.100 -0.072 0.000 0.984 225 G HN 0.352 nan 8.290 nan 0.000 0.462 226 V N 3.271 123.143 119.914 -0.071 0.000 2.470 226 V HA 0.267 4.386 4.120 -0.001 0.000 0.276 226 V C 0.511 176.554 176.094 -0.085 0.000 1.040 226 V CA -0.241 62.002 62.300 -0.096 0.000 1.008 226 V CB 1.025 32.789 31.823 -0.098 0.000 0.990 226 V HN 0.682 nan 8.190 nan 0.000 0.477 227 V N 3.706 123.563 119.914 -0.095 0.000 2.376 227 V HA 0.546 4.665 4.120 -0.001 0.000 0.287 227 V C 0.613 176.645 176.094 -0.103 0.000 1.015 227 V CA -0.707 61.576 62.300 -0.030 0.000 0.834 227 V CB 1.190 33.078 31.823 0.108 0.000 1.001 227 V HN 0.743 nan 8.190 nan 0.000 0.428 228 R N 1.866 122.295 120.500 -0.117 0.000 2.310 228 R HA 0.201 4.540 4.340 -0.001 0.000 0.202 228 R C 0.117 176.393 176.300 -0.041 0.000 0.933 228 R CA 0.077 56.104 56.100 -0.121 0.000 1.054 228 R CB -0.004 30.281 30.300 -0.024 0.000 0.985 228 R HN 0.938 nan 8.270 nan 0.000 0.489 229 Q N 0.388 120.051 119.800 -0.230 0.000 2.447 229 Q HA -0.221 4.118 4.340 -0.001 0.000 0.348 229 Q C -0.125 175.219 176.000 -1.093 0.000 1.421 229 Q CA 0.381 55.633 55.803 -0.920 0.000 0.978 229 Q CB -0.811 27.539 28.738 -0.646 0.000 1.191 229 Q HN 0.299 nan 8.270 nan 0.000 0.371 230 E N -0.046 119.728 120.200 -0.710 0.000 2.160 230 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 230 E C 1.238 177.508 176.600 -0.550 0.000 0.991 230 E CA 1.934 58.073 56.400 -0.434 0.000 0.810 230 E CB -0.314 29.276 29.700 -0.182 0.000 0.742 230 E HN 0.784 nan 8.360 nan 0.000 0.466 231 F N -0.813 118.812 119.950 -0.542 0.000 2.307 231 F HA -0.005 4.522 4.527 -0.000 0.000 0.301 231 F C 1.910 177.138 175.800 -0.953 0.000 1.076 231 F CA 0.734 58.315 58.000 -0.698 0.000 1.383 231 F CB -0.612 37.837 39.000 -0.920 0.000 1.055 231 F HN -0.011 nan 8.300 nan 0.000 0.526 232 A N 0.377 122.512 122.820 -1.141 0.000 2.275 232 A HA 0.553 4.872 4.320 -0.001 0.000 0.212 232 A C 1.386 178.755 177.584 -0.358 0.000 1.201 232 A CA 0.453 51.985 52.037 -0.842 0.000 0.843 232 A CB -1.156 17.242 19.000 -1.004 0.000 0.873 232 A HN 0.954 nan 8.150 nan 0.000 0.492 233 G N -1.521 107.128 108.800 -0.253 0.000 2.746 233 G HA2 0.353 4.312 3.960 -0.001 0.000 0.685 233 G HA3 0.353 4.312 3.960 -0.001 0.000 0.685 233 G C 0.104 175.008 174.900 0.008 0.000 1.350 233 G CA -0.422 44.630 45.100 -0.080 0.000 0.837 233 G HN 1.613 nan 8.290 nan 0.000 0.564 234 A N -0.499 122.323 122.820 0.003 0.000 2.425 234 A HA 0.701 5.020 4.320 -0.001 0.000 0.242 234 A C 0.987 178.549 177.584 -0.036 0.000 1.077 234 A CA 0.671 52.696 52.037 -0.020 0.000 0.781 234 A CB 1.175 20.158 19.000 -0.028 0.000 1.020 234 A HN 2.247 nan 8.150 nan 0.000 0.494 235 V N 1.035 120.810 119.914 -0.232 0.000 3.109 235 V HA 0.280 4.399 4.120 -0.001 0.000 0.317 235 V C 0.500 176.457 176.094 -0.228 0.000 1.074 235 V CA -0.595 61.474 62.300 -0.385 0.000 1.033 235 V CB 1.400 32.566 31.823 -1.095 0.000 1.111 235 V HN 1.041 nan 8.190 nan 0.000 0.458 236 E N 3.564 123.652 120.200 -0.186 0.000 2.390 236 E HA 0.175 4.524 4.350 -0.001 0.000 0.261 236 E C -1.786 174.745 176.600 -0.116 0.000 1.076 236 E CA -1.111 55.226 56.400 -0.105 0.000 0.905 236 E CB 0.757 30.420 29.700 -0.062 0.000 0.984 236 E HN 0.505 nan 8.360 nan 0.000 0.427 237 P HA -0.334 nan 4.420 nan 0.000 0.217 237 P C 0.933 178.202 177.300 -0.051 0.000 1.158 237 P CA 2.106 65.174 63.100 -0.054 0.000 0.887 237 P CB 0.098 31.776 31.700 -0.035 0.000 0.792 238 A N -0.536 122.253 122.820 -0.051 0.000 1.940 238 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 238 A C 2.320 179.881 177.584 -0.038 0.000 1.176 238 A CA 2.286 54.298 52.037 -0.043 0.000 0.631 238 A CB -1.586 17.387 19.000 -0.046 0.000 0.814 238 A HN 0.232 nan 8.150 nan 0.000 0.446 239 A N -0.404 122.372 122.820 -0.073 0.000 1.898 239 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 239 A C 1.980 179.590 177.584 0.042 0.000 1.181 239 A CA 2.032 54.029 52.037 -0.068 0.000 0.620 239 A CB -0.414 18.419 19.000 -0.278 0.000 0.819 239 A HN 0.547 nan 8.150 nan 0.000 0.442 240 E N 0.260 120.459 120.200 -0.001 0.000 2.072 240 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 240 E C 2.061 178.699 176.600 0.064 0.000 0.985 240 E CA 1.799 58.267 56.400 0.113 0.000 0.801 240 E CB -0.431 29.291 29.700 0.036 0.000 0.750 240 E HN 0.685 nan 8.360 nan 0.000 0.452 241 Q N -0.609 119.201 119.800 0.018 0.000 2.135 241 Q HA -0.096 4.243 4.340 -0.001 0.000 0.204 241 Q C 2.126 178.130 176.000 0.006 0.000 0.981 241 Q CA 1.404 57.210 55.803 0.004 0.000 0.856 241 Q CB -0.338 28.394 28.738 -0.010 0.000 0.902 241 Q HN 0.467 nan 8.270 nan 0.000 0.425 242 G N 0.559 109.368 108.800 0.015 0.000 2.394 242 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.215 242 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.215 242 G C 1.327 176.232 174.900 0.007 0.000 1.165 242 G CA 0.381 45.486 45.100 0.009 0.000 0.784 242 G HN 0.234 nan 8.290 nan 0.000 0.535 243 L N 0.458 121.701 121.223 0.033 0.000 2.017 243 L HA 0.005 4.344 4.340 -0.001 0.000 0.208 243 L C 2.847 179.698 176.870 -0.033 0.000 1.073 243 L CA 1.923 56.748 54.840 -0.025 0.000 0.745 243 L CB -0.695 41.323 42.059 -0.069 0.000 0.894 243 L HN 0.282 nan 8.230 nan 0.000 0.432 244 Q N -0.869 118.926 119.800 -0.008 0.000 2.135 244 Q HA -0.194 4.146 4.340 -0.001 0.000 0.204 244 Q C 2.211 178.200 176.000 -0.019 0.000 0.981 244 Q CA 1.685 57.480 55.803 -0.014 0.000 0.856 244 Q CB -0.320 28.416 28.738 -0.003 0.000 0.902 244 Q HN 0.702 nan 8.270 nan 0.000 0.425 245 A N 0.717 123.526 122.820 -0.018 0.000 1.930 245 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 245 A C 2.225 179.790 177.584 -0.032 0.000 1.175 245 A CA 1.449 53.472 52.037 -0.024 0.000 0.627 245 A CB -0.609 18.377 19.000 -0.024 0.000 0.815 245 A HN 0.403 nan 8.150 nan 0.000 0.443 246 A N 0.023 122.822 122.820 -0.035 0.000 1.898 246 A HA -0.034 4.285 4.320 -0.001 0.000 0.216 246 A C 2.110 179.673 177.584 -0.033 0.000 1.181 246 A CA 1.411 53.422 52.037 -0.043 0.000 0.620 246 A CB -0.560 18.412 19.000 -0.046 0.000 0.819 246 A HN 0.475 nan 8.150 nan 0.000 0.442 247 I N -0.429 120.122 120.570 -0.031 0.000 2.179 247 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 247 I C 2.582 178.695 176.117 -0.007 0.000 1.088 247 I CA 1.929 63.219 61.300 -0.018 0.000 1.357 247 I CB -0.255 37.728 38.000 -0.028 0.000 1.051 247 I HN 0.396 nan 8.210 nan 0.000 0.409 248 K N 1.353 121.744 120.400 -0.014 0.000 2.057 248 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 248 K C 2.173 178.765 176.600 -0.014 0.000 1.049 248 K CA 1.575 57.855 56.287 -0.011 0.000 0.931 248 K CB -0.102 32.390 32.500 -0.014 0.000 0.714 248 K HN 0.295 nan 8.250 nan 0.000 0.440 249 A N 0.913 123.714 122.820 -0.032 0.000 1.930 249 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 249 A C 2.287 179.832 177.584 -0.065 0.000 1.175 249 A CA 1.666 53.668 52.037 -0.058 0.000 0.627 249 A CB -0.653 18.294 19.000 -0.087 0.000 0.815 249 A HN 0.487 nan 8.150 nan 0.000 0.443 250 A N -0.104 122.701 122.820 -0.025 0.000 1.873 250 A HA -0.153 4.166 4.320 -0.001 0.000 0.215 250 A C 1.922 179.598 177.584 0.154 0.000 1.186 250 A CA 1.593 53.681 52.037 0.086 0.000 0.616 250 A CB -0.555 18.539 19.000 0.158 0.000 0.823 250 A HN 0.603 nan 8.150 nan 0.000 0.442 251 E N -0.853 119.395 120.200 0.080 0.000 2.085 251 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 251 E C 2.276 178.913 176.600 0.062 0.000 0.994 251 E CA 1.370 57.810 56.400 0.066 0.000 0.801 251 E CB -0.167 29.552 29.700 0.032 0.000 0.743 251 E HN 0.610 nan 8.360 nan 0.000 0.453 252 R N 0.632 121.154 120.500 0.038 0.000 2.148 252 R HA -0.056 4.283 4.340 -0.001 0.000 0.227 252 R C 1.806 178.133 176.300 0.046 0.000 1.103 252 R CA 1.162 57.278 56.100 0.027 0.000 0.983 252 R CB -0.045 30.256 30.300 0.002 0.000 0.874 252 R HN 0.092 nan 8.270 nan 0.000 0.451 253 A N -0.598 122.267 122.820 0.074 0.000 2.238 253 A HA 0.265 4.584 4.320 -0.001 0.000 0.208 253 A C 1.298 179.033 177.584 0.252 0.000 1.177 253 A CA 0.583 52.699 52.037 0.133 0.000 0.804 253 A CB -0.106 18.898 19.000 0.007 0.000 0.823 253 A HN 0.575 nan 8.150 nan 0.000 0.482 254 G N -2.280 106.625 108.800 0.175 0.000 2.179 254 G HA2 0.133 4.092 3.960 -0.001 0.000 0.220 254 G HA3 0.133 4.092 3.960 -0.001 0.000 0.220 254 G C 0.396 175.339 174.900 0.072 0.000 0.990 254 G CA 0.121 45.288 45.100 0.111 0.000 0.646 254 G HN 1.505 nan 8.290 nan 0.000 0.517 255 A N 0.359 123.263 122.820 0.140 0.000 2.322 255 A HA 0.745 5.064 4.320 -0.001 0.000 0.269 255 A C 0.855 178.457 177.584 0.029 0.000 1.094 255 A CA 0.795 52.852 52.037 0.033 0.000 0.807 255 A CB 0.563 19.639 19.000 0.126 0.000 1.047 255 A HN 1.819 nan 8.150 nan 0.000 0.487 256 S N 1.071 116.766 115.700 -0.007 0.000 2.420 256 S HA 0.556 5.025 4.470 -0.001 0.000 0.313 256 S C -0.484 174.116 174.600 -0.000 0.000 1.079 256 S CA -0.612 57.587 58.200 -0.002 0.000 1.104 256 S CB 0.589 63.782 63.200 -0.013 0.000 0.969 256 S HN 0.644 nan 8.310 nan 0.000 0.471 257 V N 4.472 124.389 119.914 0.005 0.000 2.513 257 V HA 0.638 4.757 4.120 -0.001 0.000 0.299 257 V C -0.213 175.874 176.094 -0.011 0.000 1.035 257 V CA -0.678 61.621 62.300 -0.002 0.000 0.889 257 V CB 1.202 33.028 31.823 0.004 0.000 0.988 257 V HN 1.015 nan 8.190 nan 0.000 0.440 258 Q N 3.265 123.053 119.800 -0.020 0.000 2.315 258 Q HA 0.825 5.165 4.340 -0.001 0.000 0.273 258 Q C -0.890 175.093 176.000 -0.028 0.000 1.053 258 Q CA -0.856 54.934 55.803 -0.021 0.000 0.817 258 Q CB 2.302 31.029 28.738 -0.018 0.000 1.326 258 Q HN 0.811 nan 8.270 nan 0.000 0.423 259 A N 3.822 126.627 122.820 -0.025 0.000 2.440 259 A HA 0.612 4.931 4.320 -0.001 0.000 0.251 259 A C -0.444 177.130 177.584 -0.017 0.000 1.089 259 A CA -0.203 51.819 52.037 -0.026 0.000 0.779 259 A CB 0.098 19.085 19.000 -0.020 0.000 1.022 259 A HN 0.705 nan 8.150 nan 0.000 0.492 260 I N 1.658 122.220 120.570 -0.013 0.000 2.686 260 I HA 0.269 4.438 4.170 -0.001 0.000 0.295 260 I C -1.026 175.114 176.117 0.039 0.000 1.114 260 I CA -0.783 60.519 61.300 0.002 0.000 1.038 260 I CB 2.396 40.385 38.000 -0.018 0.000 1.238 260 I HN 0.561 nan 8.210 nan 0.000 0.420 261 D N 6.090 126.525 120.400 0.059 0.000 2.177 261 D HA 0.468 5.107 4.640 -0.001 0.000 0.247 261 D C -0.330 176.057 176.300 0.146 0.000 1.063 261 D CA -0.298 53.774 54.000 0.121 0.000 0.867 261 D CB 2.245 43.106 40.800 0.102 0.000 1.168 261 D HN 0.231 nan 8.370 nan 0.000 0.445 262 L N 2.840 124.229 121.223 0.277 0.000 2.418 262 L HA 0.275 4.615 4.340 -0.001 0.000 0.265 262 L C -1.983 174.950 176.870 0.104 0.000 1.143 262 L CA -1.637 53.348 54.840 0.243 0.000 0.809 262 L CB 0.229 42.510 42.059 0.370 0.000 1.124 262 L HN 0.062 nan 8.230 nan 0.000 0.456 263 P HA -0.055 nan 4.420 nan 0.000 0.269 263 P C 0.267 177.391 177.300 -0.293 0.000 1.217 263 P CA -0.095 62.941 63.100 -0.106 0.000 0.783 263 P CB 0.601 32.274 31.700 -0.045 0.000 0.898 264 E N 2.536 122.535 120.200 -0.336 0.000 2.118 264 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 264 E C 1.828 178.296 176.600 -0.219 0.000 0.992 264 E CA 2.080 58.239 56.400 -0.402 0.000 0.804 264 E CB -1.009 28.559 29.700 -0.220 0.000 0.741 264 E HN 0.418 nan 8.360 nan 0.000 0.458 265 A N 0.044 122.785 122.820 -0.133 0.000 1.940 265 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 265 A C 2.503 180.041 177.584 -0.077 0.000 1.176 265 A CA 1.780 53.768 52.037 -0.082 0.000 0.631 265 A CB -0.759 18.206 19.000 -0.058 0.000 0.814 265 A HN 0.211 nan 8.150 nan 0.000 0.446 266 V N -0.375 119.495 119.914 -0.073 0.000 2.427 266 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 266 V C 2.236 178.228 176.094 -0.171 0.000 1.051 266 V CA 2.066 64.318 62.300 -0.080 0.000 1.048 266 V CB -1.223 30.592 31.823 -0.013 0.000 0.666 266 V HN 0.723 nan 8.190 nan 0.000 0.456 267 H N -0.421 118.417 119.070 -0.387 0.000 2.353 267 H HA -0.131 4.424 4.556 -0.001 0.000 0.300 267 H C 2.449 177.620 175.328 -0.262 0.000 1.090 267 H CA 1.258 56.949 56.048 -0.595 0.000 1.327 267 H CB 0.195 29.776 29.762 -0.303 0.000 1.383 267 H HN 0.388 nan 8.280 nan 0.000 0.508 268 E N 0.869 121.062 120.200 -0.011 0.000 2.110 268 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 268 E C 2.476 179.053 176.600 -0.037 0.000 0.988 268 E CA 0.806 57.202 56.400 -0.007 0.000 0.804 268 E CB -0.184 29.498 29.700 -0.030 0.000 0.745 268 E HN 0.448 nan 8.360 nan 0.000 0.458 269 A N 0.485 123.262 122.820 -0.071 0.000 1.902 269 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 269 A C 2.027 179.567 177.584 -0.073 0.000 1.181 269 A CA 1.437 53.424 52.037 -0.084 0.000 0.623 269 A CB -1.098 17.844 19.000 -0.097 0.000 0.818 269 A HN 0.466 nan 8.150 nan 0.000 0.443 270 W N 0.688 121.801 121.300 -0.313 0.000 2.358 270 W HA -0.184 4.474 4.660 -0.002 0.000 0.303 270 W C 2.338 178.767 176.519 -0.150 0.000 1.208 270 W CA 1.942 59.108 57.345 -0.299 0.000 1.274 270 W CB -0.166 28.959 29.460 -0.558 0.000 1.138 270 W HN 0.302 nan 8.180 nan 0.000 0.515 271 R N 0.780 121.258 120.500 -0.036 0.000 2.096 271 R HA -0.183 4.156 4.340 -0.001 0.000 0.235 271 R C 1.840 177.995 176.300 -0.242 0.000 1.127 271 R CA 2.279 58.266 56.100 -0.189 0.000 0.968 271 R CB -0.699 29.635 30.300 0.056 0.000 0.861 271 R HN 0.415 nan 8.270 nan 0.000 0.440 272 I N -1.685 118.792 120.570 -0.155 0.000 3.793 272 I HA 0.020 4.189 4.170 -0.001 0.000 0.315 272 I C 1.948 177.987 176.117 -0.130 0.000 1.275 272 I CA 0.473 61.694 61.300 -0.132 0.000 1.214 272 I CB -0.624 37.311 38.000 -0.109 0.000 1.018 272 I HN 0.116 nan 8.210 nan 0.000 0.439 273 H N 3.099 122.013 119.070 -0.259 0.000 2.319 273 H HA -0.077 4.478 4.556 -0.001 0.000 0.297 273 H C -0.746 174.480 175.328 -0.170 0.000 1.097 273 H CA 2.536 58.451 56.048 -0.222 0.000 1.285 273 H CB -1.212 28.380 29.762 -0.283 0.000 1.368 273 H HN 0.217 nan 8.280 nan 0.000 0.495 274 P HA -0.142 nan 4.420 nan 0.000 0.216 274 P C 1.917 179.179 177.300 -0.065 0.000 1.150 274 P CA 1.059 64.139 63.100 -0.034 0.000 0.837 274 P CB -0.015 31.646 31.700 -0.066 0.000 0.786 275 I N -1.027 119.501 120.570 -0.070 0.000 2.142 275 I HA -0.190 3.979 4.170 -0.001 0.000 0.240 275 I C 2.369 178.505 176.117 0.032 0.000 1.078 275 I CA 1.500 62.791 61.300 -0.014 0.000 1.343 275 I CB -1.413 36.568 38.000 -0.032 0.000 1.046 275 I HN -0.032 nan 8.210 nan 0.000 0.405 276 I N 0.340 120.886 120.570 -0.040 0.000 2.142 276 I HA -0.350 3.819 4.170 -0.001 0.000 0.240 276 I C 2.752 178.819 176.117 -0.084 0.000 1.078 276 I CA 1.445 62.751 61.300 0.009 0.000 1.343 276 I CB -0.454 37.455 38.000 -0.152 0.000 1.046 276 I HN 0.358 nan 8.210 nan 0.000 0.405 277 Q N 1.017 120.681 119.800 -0.226 0.000 2.002 277 Q HA -0.265 4.074 4.340 -0.001 0.000 0.204 277 Q C 1.729 177.667 176.000 -0.104 0.000 0.988 277 Q CA 2.243 57.938 55.803 -0.180 0.000 0.843 277 Q CB 0.013 28.637 28.738 -0.191 0.000 0.908 277 Q HN 0.444 nan 8.270 nan 0.000 0.420 278 D N -0.292 120.077 120.400 -0.052 0.000 2.178 278 D HA -0.126 4.513 4.640 -0.001 0.000 0.202 278 D C 1.552 177.799 176.300 -0.088 0.000 0.974 278 D CA 0.672 54.633 54.000 -0.066 0.000 0.841 278 D CB -0.314 40.489 40.800 0.005 0.000 0.953 278 D HN 0.272 nan 8.370 nan 0.000 0.478 279 F N 1.940 121.776 119.950 -0.190 0.000 2.113 279 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 279 F C 2.120 177.683 175.800 -0.395 0.000 1.103 279 F CA 1.324 59.161 58.000 -0.271 0.000 1.248 279 F CB 0.082 38.855 39.000 -0.379 0.000 0.999 279 F HN -0.143 nan 8.300 nan 0.000 0.475 280 E N 0.220 120.189 120.200 -0.386 0.000 2.106 280 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 280 E C 2.354 178.649 176.600 -0.508 0.000 0.984 280 E CA 0.845 56.858 56.400 -0.646 0.000 0.806 280 E CB -0.410 28.710 29.700 -0.968 0.000 0.750 280 E HN 0.498 nan 8.360 nan 0.000 0.458 281 A N 1.579 124.076 122.820 -0.537 0.000 1.940 281 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 281 A C 1.893 179.127 177.584 -0.583 0.000 1.176 281 A CA 1.352 52.953 52.037 -0.727 0.000 0.631 281 A CB -0.690 17.654 19.000 -1.092 0.000 0.814 281 A HN 0.271 nan 8.150 nan 0.000 0.446 282 H N -0.577 118.174 119.070 -0.531 0.000 2.421 282 H HA -0.043 4.512 4.556 -0.001 0.000 0.298 282 H C 2.158 177.256 175.328 -0.383 0.000 1.087 282 H CA 1.594 57.325 56.048 -0.528 0.000 1.330 282 H CB 0.122 29.515 29.762 -0.615 0.000 1.388 282 H HN 0.313 nan 8.280 nan 0.000 0.526 283 R N 0.311 120.672 120.500 -0.233 0.000 2.080 283 R HA 0.110 4.449 4.340 -0.001 0.000 0.222 283 R C 2.371 178.702 176.300 0.051 0.000 1.107 283 R CA 0.871 56.934 56.100 -0.062 0.000 0.980 283 R CB -0.913 29.428 30.300 0.068 0.000 0.879 283 R HN 0.231 nan 8.270 nan 0.000 0.439 284 A N 0.874 123.745 122.820 0.085 0.000 1.969 284 A HA 0.008 4.327 4.320 -0.001 0.000 0.218 284 A C 1.669 179.248 177.584 -0.008 0.000 1.169 284 A CA 0.929 53.033 52.037 0.111 0.000 0.635 284 A CB -0.212 18.871 19.000 0.138 0.000 0.810 284 A HN 0.197 nan 8.150 nan 0.000 0.445 285 L N -0.896 120.252 121.223 -0.124 0.000 3.062 285 L HA 0.279 4.618 4.340 -0.001 0.000 0.255 285 L C 2.031 178.883 176.870 -0.030 0.000 1.274 285 L CA 0.155 54.911 54.840 -0.139 0.000 1.047 285 L CB 0.163 42.016 42.059 -0.343 0.000 1.402 285 L HN 0.342 nan 8.230 nan 0.000 0.550 286 A N 0.412 123.254 122.820 0.036 0.000 1.883 286 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 286 A C 1.927 179.616 177.584 0.175 0.000 1.186 286 A CA 1.674 53.772 52.037 0.101 0.000 0.624 286 A CB -0.661 18.387 19.000 0.080 0.000 0.822 286 A HN 0.720 nan 8.150 nan 0.000 0.444 287 W N 1.000 122.317 121.300 0.028 0.000 2.335 287 W HA -0.190 4.469 4.660 -0.002 0.000 0.311 287 W C 1.859 178.424 176.519 0.076 0.000 1.213 287 W CA 2.177 59.547 57.345 0.043 0.000 1.274 287 W CB -0.247 29.234 29.460 0.035 0.000 1.148 287 W HN 0.415 nan 8.180 nan 0.000 0.498 288 E N -0.483 119.782 120.200 0.108 0.000 2.058 288 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 288 E C 1.972 178.500 176.600 -0.119 0.000 0.997 288 E CA 1.980 58.318 56.400 -0.104 0.000 0.801 288 E CB -1.048 28.608 29.700 -0.072 0.000 0.746 288 E HN 0.347 nan 8.360 nan 0.000 0.450 289 F N 0.607 120.457 119.950 -0.167 0.000 2.186 289 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 289 F C 2.134 177.902 175.800 -0.054 0.000 1.090 289 F CA 1.181 59.124 58.000 -0.095 0.000 1.307 289 F CB -0.021 38.947 39.000 -0.053 0.000 1.019 289 F HN -0.108 nan 8.300 nan 0.000 0.489 290 S N -0.448 115.224 115.700 -0.046 0.000 2.395 290 S HA -0.069 4.401 4.470 -0.001 0.000 0.225 290 S C 1.664 176.073 174.600 -0.319 0.000 1.027 290 S CA 1.108 59.216 58.200 -0.153 0.000 0.965 290 S CB -0.100 63.066 63.200 -0.056 0.000 0.812 290 S HN 0.393 nan 8.310 nan 0.000 0.482 291 E N 0.040 119.932 120.200 -0.514 0.000 2.447 291 E HA 0.131 4.480 4.350 -0.001 0.000 0.204 291 E C 0.022 176.000 176.600 -1.037 0.000 0.977 291 E CA 0.467 56.403 56.400 -0.775 0.000 0.950 291 E CB 0.248 29.318 29.700 -1.051 0.000 0.975 291 E HN 0.518 nan 8.360 nan 0.000 0.496 292 H N -0.305 118.493 119.070 -0.453 0.000 2.790 292 H HA 0.099 4.654 4.556 -0.002 0.000 0.232 292 H C 1.200 176.409 175.328 -0.198 0.000 1.313 292 H CA -0.203 55.660 56.048 -0.307 0.000 1.011 292 H CB 0.173 29.720 29.762 -0.359 0.000 2.105 292 H HN 0.188 nan 8.280 nan 0.000 0.580 293 H N 1.811 120.722 119.070 -0.264 0.000 2.289 293 H HA -0.136 4.419 4.556 -0.002 0.000 0.294 293 H C 0.424 175.668 175.328 -0.140 0.000 1.095 293 H CA 1.938 57.812 56.048 -0.289 0.000 1.256 293 H CB 0.375 29.852 29.762 -0.474 0.000 1.359 293 H HN 0.307 nan 8.280 nan 0.000 0.487 294 D N 0.328 120.773 120.400 0.075 0.000 2.371 294 D HA -0.057 4.582 4.640 -0.001 0.000 0.221 294 D C 1.690 177.997 176.300 0.013 0.000 0.986 294 D CA 0.503 54.541 54.000 0.063 0.000 0.899 294 D CB -0.212 40.633 40.800 0.076 0.000 0.902 294 D HN 0.616 nan 8.370 nan 0.000 0.530 295 E N -0.234 119.977 120.200 0.019 0.000 2.474 295 E HA 0.113 4.462 4.350 -0.001 0.000 0.194 295 E C 0.463 177.111 176.600 0.079 0.000 1.041 295 E CA -0.118 56.314 56.400 0.053 0.000 0.874 295 E CB 0.633 30.382 29.700 0.081 0.000 0.914 295 E HN 0.269 nan 8.360 nan 0.000 0.498 296 I N 1.917 122.511 120.570 0.040 0.000 2.496 296 I HA 0.070 4.239 4.170 -0.001 0.000 0.285 296 I C 0.592 176.759 176.117 0.083 0.000 1.080 296 I CA -0.705 60.659 61.300 0.107 0.000 1.404 296 I CB 0.833 38.837 38.000 0.006 0.000 1.403 296 I HN -0.006 nan 8.210 nan 0.000 0.539 297 A N 8.388 131.290 122.820 0.137 0.000 2.587 297 A HA 0.062 4.382 4.320 -0.001 0.000 0.233 297 A C -1.440 176.183 177.584 0.065 0.000 1.049 297 A CA -0.654 51.437 52.037 0.089 0.000 0.754 297 A CB -0.430 18.628 19.000 0.096 0.000 0.977 297 A HN 0.609 nan 8.150 nan 0.000 0.509 298 P HA -0.266 nan 4.420 nan 0.000 0.219 298 P C 1.591 178.918 177.300 0.046 0.000 1.161 298 P CA 2.283 65.406 63.100 0.039 0.000 0.909 298 P CB -0.099 31.623 31.700 0.036 0.000 0.793 299 M N -2.397 117.234 119.600 0.052 0.000 2.132 299 M HA -0.118 4.361 4.480 -0.001 0.000 0.263 299 M C 2.112 178.451 176.300 0.064 0.000 1.065 299 M CA 1.441 56.774 55.300 0.054 0.000 1.122 299 M CB -0.928 31.703 32.600 0.051 0.000 1.365 299 M HN -0.048 nan 8.290 nan 0.000 0.411 300 L N 0.460 121.732 121.223 0.082 0.000 2.093 300 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 300 L C 2.466 179.372 176.870 0.060 0.000 1.085 300 L CA 1.798 56.696 54.840 0.097 0.000 0.755 300 L CB -0.717 41.441 42.059 0.164 0.000 0.904 300 L HN 0.176 nan 8.230 nan 0.000 0.435 301 R N -0.542 119.983 120.500 0.043 0.000 2.091 301 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 301 R C 2.119 178.462 176.300 0.072 0.000 1.136 301 R CA 1.416 57.516 56.100 -0.000 0.000 0.959 301 R CB -0.328 29.924 30.300 -0.081 0.000 0.856 301 R HN 0.533 nan 8.270 nan 0.000 0.437 302 A N 0.413 123.275 122.820 0.070 0.000 1.873 302 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 302 A C 2.181 179.816 177.584 0.085 0.000 1.186 302 A CA 1.908 53.996 52.037 0.085 0.000 0.616 302 A CB -0.640 18.399 19.000 0.065 0.000 0.823 302 A HN 0.587 nan 8.150 nan 0.000 0.442 303 S N 0.166 115.904 115.700 0.064 0.000 2.382 303 S HA -0.094 4.375 4.470 -0.001 0.000 0.228 303 S C 1.892 176.510 174.600 0.029 0.000 1.027 303 S CA 1.455 59.685 58.200 0.049 0.000 0.991 303 S CB -0.744 62.487 63.200 0.050 0.000 0.823 303 S HN 0.427 nan 8.310 nan 0.000 0.469 304 L N 1.484 122.695 121.223 -0.020 0.000 2.027 304 L HA -0.090 4.249 4.340 -0.001 0.000 0.206 304 L C 2.485 179.439 176.870 0.140 0.000 1.074 304 L CA 1.546 56.279 54.840 -0.179 0.000 0.745 304 L CB -0.733 41.102 42.059 -0.374 0.000 0.898 304 L HN 0.220 nan 8.230 nan 0.000 0.433 305 D N 0.273 120.838 120.400 0.275 0.000 2.182 305 D HA -0.158 4.481 4.640 -0.001 0.000 0.201 305 D C 2.056 178.471 176.300 0.191 0.000 0.986 305 D CA 1.463 55.670 54.000 0.345 0.000 0.847 305 D CB 0.056 41.045 40.800 0.315 0.000 0.942 305 D HN 0.319 nan 8.370 nan 0.000 0.467 306 A N -0.147 122.754 122.820 0.134 0.000 2.208 306 A HA 0.016 4.335 4.320 -0.001 0.000 0.209 306 A C 1.715 179.340 177.584 0.069 0.000 1.161 306 A CA 1.369 53.458 52.037 0.086 0.000 0.782 306 A CB -0.134 18.906 19.000 0.067 0.000 0.816 306 A HN 0.280 nan 8.150 nan 0.000 0.477 307 T N -4.457 110.158 114.554 0.101 0.000 3.145 307 T HA 0.235 4.584 4.350 -0.001 0.000 0.281 307 T C 1.129 175.763 174.700 -0.110 0.000 1.003 307 T CA 0.537 62.676 62.100 0.065 0.000 0.901 307 T CB 0.070 69.006 68.868 0.113 0.000 1.112 307 T HN -0.067 nan 8.240 nan 0.000 0.535 308 V N 1.895 121.675 119.914 -0.223 0.000 2.469 308 V HA -0.054 4.065 4.120 -0.001 0.000 0.251 308 V C 2.823 178.712 176.094 -0.342 0.000 1.064 308 V CA 2.341 64.295 62.300 -0.576 0.000 1.066 308 V CB -1.062 30.619 31.823 -0.237 0.000 0.667 308 V HN 0.714 nan 8.190 nan 0.000 0.461 309 G N -0.613 108.098 108.800 -0.148 0.000 2.598 309 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.215 309 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.215 309 G C 0.681 175.569 174.900 -0.020 0.000 1.131 309 G CA -0.278 44.780 45.100 -0.070 0.000 0.785 309 G HN 0.461 nan 8.290 nan 0.000 0.539 310 L N 2.499 123.723 121.223 0.001 0.000 2.640 310 L HA 0.090 4.429 4.340 -0.001 0.000 0.280 310 L C 1.255 178.255 176.870 0.215 0.000 1.229 310 L CA -0.063 54.847 54.840 0.116 0.000 0.919 310 L CB 0.044 42.228 42.059 0.208 0.000 1.168 310 L HN 0.171 nan 8.230 nan 0.000 0.496 311 T N 0.324 114.951 114.554 0.122 0.000 2.918 311 T HA 0.320 4.669 4.350 -0.001 0.000 0.283 311 T C -1.857 172.820 174.700 -0.038 0.000 1.001 311 T CA -2.009 60.153 62.100 0.104 0.000 1.041 311 T CB 1.745 70.633 68.868 0.033 0.000 1.028 311 T HN 0.283 nan 8.240 nan 0.000 0.511 312 P HA -0.055 nan 4.420 nan 0.000 0.218 312 P C 1.499 178.726 177.300 -0.122 0.000 1.148 312 P CA 0.955 63.968 63.100 -0.146 0.000 0.822 312 P CB 0.126 31.866 31.700 0.068 0.000 0.784 313 K N 0.675 121.035 120.400 -0.067 0.000 2.002 313 K HA -0.195 4.124 4.320 -0.001 0.000 0.209 313 K C 2.109 178.651 176.600 -0.097 0.000 1.048 313 K CA 1.788 58.035 56.287 -0.066 0.000 0.930 313 K CB -0.245 32.233 32.500 -0.038 0.000 0.714 313 K HN 0.179 nan 8.250 nan 0.000 0.438 314 E N -0.610 119.537 120.200 -0.089 0.000 2.204 314 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 314 E C 2.019 178.541 176.600 -0.130 0.000 0.989 314 E CA 0.886 57.232 56.400 -0.089 0.000 0.824 314 E CB -0.558 29.110 29.700 -0.052 0.000 0.756 314 E HN 0.461 nan 8.360 nan 0.000 0.477 315 Y N 2.642 122.717 120.300 -0.375 0.000 2.163 315 Y HA -0.170 4.380 4.550 -0.001 0.000 0.288 315 Y C 1.637 177.333 175.900 -0.339 0.000 1.136 315 Y CA 2.058 59.855 58.100 -0.504 0.000 1.147 315 Y CB -0.244 37.498 38.460 -1.196 0.000 0.987 315 Y HN -0.068 nan 8.280 nan 0.000 0.509 316 D N 0.107 120.239 120.400 -0.446 0.000 2.117 316 D HA -0.182 4.457 4.640 -0.001 0.000 0.197 316 D C 2.017 178.127 176.300 -0.317 0.000 0.987 316 D CA 1.678 55.419 54.000 -0.432 0.000 0.829 316 D CB -0.323 40.350 40.800 -0.211 0.000 0.961 316 D HN 0.463 nan 8.370 nan 0.000 0.460 317 E N 1.151 121.218 120.200 -0.223 0.000 2.077 317 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 317 E C 1.891 178.382 176.600 -0.181 0.000 0.989 317 E CA 1.431 57.733 56.400 -0.164 0.000 0.800 317 E CB -0.354 29.277 29.700 -0.115 0.000 0.746 317 E HN 0.150 nan 8.360 nan 0.000 0.452 318 A N 0.833 123.525 122.820 -0.214 0.000 1.902 318 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 318 A C 2.251 179.693 177.584 -0.236 0.000 1.181 318 A CA 1.710 53.628 52.037 -0.199 0.000 0.623 318 A CB -0.503 18.388 19.000 -0.182 0.000 0.818 318 A HN 0.223 nan 8.150 nan 0.000 0.443 319 R N -1.095 119.196 120.500 -0.349 0.000 2.096 319 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 319 R C 2.525 178.700 176.300 -0.207 0.000 1.127 319 R CA 1.460 57.370 56.100 -0.317 0.000 0.968 319 R CB -0.317 29.719 30.300 -0.439 0.000 0.861 319 R HN 0.586 nan 8.270 nan 0.000 0.440 320 R N 1.085 121.473 120.500 -0.188 0.000 2.073 320 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 320 R C 2.198 178.433 176.300 -0.109 0.000 1.134 320 R CA 1.486 57.508 56.100 -0.130 0.000 0.952 320 R CB -0.245 29.986 30.300 -0.115 0.000 0.850 320 R HN 0.171 nan 8.270 nan 0.000 0.433 321 I N 0.074 120.575 120.570 -0.114 0.000 2.226 321 I HA -0.192 3.977 4.170 -0.001 0.000 0.245 321 I C 2.460 178.520 176.117 -0.094 0.000 1.100 321 I CA 1.441 62.685 61.300 -0.094 0.000 1.374 321 I CB -0.605 37.340 38.000 -0.092 0.000 1.057 321 I HN 0.426 nan 8.210 nan 0.000 0.413 322 G N 0.713 109.444 108.800 -0.115 0.000 2.421 322 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.216 322 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.216 322 G C 1.807 176.652 174.900 -0.093 0.000 1.171 322 G CA 0.428 45.462 45.100 -0.110 0.000 0.775 322 G HN 0.291 nan 8.290 nan 0.000 0.543 323 R N -0.184 120.260 120.500 -0.094 0.000 2.096 323 R HA -0.013 4.327 4.340 -0.001 0.000 0.235 323 R C 2.636 178.901 176.300 -0.058 0.000 1.127 323 R CA 1.204 57.259 56.100 -0.076 0.000 0.968 323 R CB -0.280 29.976 30.300 -0.074 0.000 0.861 323 R HN 0.318 nan 8.270 nan 0.000 0.440 324 R N 0.513 120.979 120.500 -0.057 0.000 2.092 324 R HA -0.086 4.253 4.340 -0.001 0.000 0.231 324 R C 2.240 178.520 176.300 -0.034 0.000 1.119 324 R CA 1.541 57.615 56.100 -0.043 0.000 0.970 324 R CB -0.429 29.843 30.300 -0.047 0.000 0.864 324 R HN 0.277 nan 8.270 nan 0.000 0.440 325 G N 0.593 109.367 108.800 -0.043 0.000 2.421 325 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.216 325 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.216 325 G C 1.372 176.273 174.900 0.001 0.000 1.171 325 G CA 0.705 45.786 45.100 -0.032 0.000 0.775 325 G HN 0.318 nan 8.290 nan 0.000 0.543 326 R N -0.070 120.425 120.500 -0.008 0.000 2.091 326 R HA 0.012 4.351 4.340 -0.001 0.000 0.238 326 R C 2.831 179.152 176.300 0.035 0.000 1.136 326 R CA 1.141 57.251 56.100 0.017 0.000 0.959 326 R CB -0.270 30.009 30.300 -0.036 0.000 0.856 326 R HN 0.270 nan 8.270 nan 0.000 0.437 327 R N 0.797 121.302 120.500 0.010 0.000 2.070 327 R HA -0.143 4.196 4.340 -0.001 0.000 0.233 327 R C 2.132 178.459 176.300 0.045 0.000 1.137 327 R CA 1.604 57.716 56.100 0.019 0.000 0.945 327 R CB -0.256 30.044 30.300 0.000 0.000 0.845 327 R HN 0.381 nan 8.270 nan 0.000 0.430 328 E N 0.619 120.839 120.200 0.034 0.000 2.204 328 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 328 E C 1.925 178.574 176.600 0.082 0.000 0.989 328 E CA 0.609 57.034 56.400 0.041 0.000 0.824 328 E CB -0.067 29.640 29.700 0.011 0.000 0.756 328 E HN 0.104 nan 8.360 nan 0.000 0.477 329 L N 0.567 121.861 121.223 0.118 0.000 2.141 329 L HA -0.006 4.333 4.340 -0.001 0.000 0.209 329 L C 2.143 179.196 176.870 0.306 0.000 1.094 329 L CA 1.906 56.871 54.840 0.209 0.000 0.763 329 L CB -0.693 41.528 42.059 0.270 0.000 0.908 329 L HN 0.045 nan 8.230 nan 0.000 0.437 330 G N -0.990 107.961 108.800 0.253 0.000 2.450 330 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 330 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 330 G C 1.409 176.457 174.900 0.247 0.000 1.130 330 G CA 0.783 46.051 45.100 0.279 0.000 0.760 330 G HN 0.558 nan 8.290 nan 0.000 0.557 331 E N 0.029 120.321 120.200 0.153 0.000 2.153 331 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 331 E C 2.646 179.299 176.600 0.087 0.000 0.988 331 E CA 0.779 57.240 56.400 0.102 0.000 0.811 331 E CB -0.077 29.659 29.700 0.060 0.000 0.746 331 E HN 0.356 nan 8.360 nan 0.000 0.466 332 V N 0.535 120.493 119.914 0.074 0.000 2.490 332 V HA -0.209 3.911 4.120 -0.001 0.000 0.250 332 V C 1.547 177.568 176.094 -0.122 0.000 1.061 332 V CA 1.450 63.717 62.300 -0.055 0.000 1.064 332 V CB -0.463 31.274 31.823 -0.144 0.000 0.670 332 V HN 0.211 nan 8.190 nan 0.000 0.461 333 F N 0.250 120.245 119.950 0.074 0.000 2.769 333 F HA 0.086 4.612 4.527 -0.002 0.000 0.304 333 F C 2.010 177.836 175.800 0.043 0.000 1.158 333 F CA 0.387 58.426 58.000 0.064 0.000 1.398 333 F CB -0.385 38.663 39.000 0.081 0.000 1.094 333 F HN 0.247 nan 8.300 nan 0.000 0.553 334 E N -0.440 119.849 120.200 0.148 0.000 2.230 334 E HA 0.011 4.360 4.350 -0.001 0.000 0.192 334 E C 2.218 178.853 176.600 0.058 0.000 0.987 334 E CA 0.707 57.164 56.400 0.096 0.000 0.841 334 E CB -0.034 29.706 29.700 0.068 0.000 0.783 334 E HN 0.394 nan 8.360 nan 0.000 0.481 335 G N 0.703 109.524 108.800 0.035 0.000 3.453 335 G HA2 0.295 4.255 3.960 -0.001 0.000 0.263 335 G HA3 0.295 4.255 3.960 -0.001 0.000 0.263 335 G C -0.093 174.810 174.900 0.005 0.000 1.060 335 G CA -0.074 45.034 45.100 0.013 0.000 0.793 335 G HN -0.044 nan 8.290 nan 0.000 0.532 336 V N -0.204 119.724 119.914 0.023 0.000 3.048 336 V HA 0.265 4.385 4.120 -0.001 0.000 0.303 336 V C -0.236 175.943 176.094 0.141 0.000 1.214 336 V CA -0.738 61.578 62.300 0.026 0.000 0.984 336 V CB 2.293 34.077 31.823 -0.065 0.000 1.054 336 V HN 0.042 nan 8.190 nan 0.000 0.430 337 D N 1.017 121.511 120.400 0.158 0.000 2.137 337 D HA 0.051 4.690 4.640 -0.001 0.000 0.202 337 D C 0.450 176.989 176.300 0.399 0.000 0.970 337 D CA 1.760 55.926 54.000 0.276 0.000 0.837 337 D CB 0.871 41.873 40.800 0.336 0.000 0.981 337 D HN 0.531 nan 8.370 nan 0.000 0.475 338 V N -2.208 117.860 119.914 0.257 0.000 3.188 338 V HA 0.527 4.646 4.120 -0.001 0.000 0.305 338 V C -1.006 175.136 176.094 0.081 0.000 1.232 338 V CA -1.140 61.306 62.300 0.243 0.000 1.043 338 V CB 2.418 34.282 31.823 0.069 0.000 1.068 338 V HN -0.151 nan 8.190 nan 0.000 0.439 339 L N 2.300 123.549 121.223 0.044 0.000 2.325 339 L HA 0.713 5.053 4.340 -0.001 0.000 0.278 339 L C -0.938 175.848 176.870 -0.140 0.000 1.023 339 L CA -0.720 54.054 54.840 -0.110 0.000 0.811 339 L CB 1.798 43.740 42.059 -0.195 0.000 1.249 339 L HN 0.652 nan 8.230 nan 0.000 0.431 340 L N 2.068 123.205 121.223 -0.143 0.000 2.356 340 L HA 0.753 5.092 4.340 -0.001 0.000 0.277 340 L C -0.333 176.411 176.870 -0.209 0.000 0.996 340 L CA 0.453 55.200 54.840 -0.155 0.000 0.822 340 L CB 1.930 43.924 42.059 -0.109 0.000 1.256 340 L HN 0.682 nan 8.230 nan 0.000 0.413 341 T N 2.243 116.654 114.554 -0.238 0.000 2.645 341 T HA 0.503 4.853 4.350 -0.001 0.000 0.300 341 T C -1.167 173.365 174.700 -0.280 0.000 1.210 341 T CA -0.400 61.515 62.100 -0.309 0.000 1.034 341 T CB 0.325 69.123 68.868 -0.118 0.000 1.537 341 T HN 0.305 nan 8.240 nan 0.000 0.492 342 Y N 0.856 121.111 120.300 -0.076 0.000 2.326 342 Y HA 0.359 4.908 4.550 -0.002 0.000 0.333 342 Y C 1.869 177.746 175.900 -0.039 0.000 1.240 342 Y CA -0.208 57.812 58.100 -0.133 0.000 1.365 342 Y CB 0.915 39.150 38.460 -0.375 0.000 1.289 342 Y HN 0.496 nan 8.280 nan 0.000 0.548 343 S N 0.570 116.345 115.700 0.125 0.000 2.492 343 S HA 0.445 4.914 4.470 -0.001 0.000 0.218 343 S C 0.266 174.919 174.600 0.088 0.000 1.016 343 S CA 0.390 58.640 58.200 0.084 0.000 0.916 343 S CB 0.246 63.462 63.200 0.026 0.000 0.791 343 S HN 0.730 nan 8.310 nan 0.000 0.513 344 A N 0.734 123.603 122.820 0.082 0.000 2.564 344 A HA 0.647 4.966 4.320 -0.001 0.000 0.291 344 A C -2.684 174.918 177.584 0.031 0.000 1.102 344 A CA -1.025 51.077 52.037 0.109 0.000 0.660 344 A CB -0.044 18.992 19.000 0.060 0.000 1.283 344 A HN -0.078 nan 8.150 nan 0.000 0.430 345 P HA 0.171 nan 4.420 nan 0.000 0.223 345 P C 0.821 178.090 177.300 -0.052 0.000 1.151 345 P CA 1.935 65.070 63.100 0.057 0.000 0.787 345 P CB 0.276 32.120 31.700 0.240 0.000 0.788 346 G N -2.298 106.537 108.800 0.057 0.000 2.392 346 G HA2 0.253 4.213 3.960 -0.001 0.000 0.260 346 G HA3 0.253 4.213 3.960 -0.001 0.000 0.260 346 G C -0.961 173.982 174.900 0.072 0.000 1.226 346 G CA -0.077 45.032 45.100 0.015 0.000 0.913 346 G HN 0.026 nan 8.290 nan 0.000 0.483 347 T N -0.487 114.049 114.554 -0.030 0.000 2.813 347 T HA 0.590 4.939 4.350 -0.001 0.000 0.297 347 T C 0.901 175.402 174.700 -0.331 0.000 1.036 347 T CA 0.642 62.670 62.100 -0.121 0.000 1.044 347 T CB 1.060 69.832 68.868 -0.159 0.000 0.993 347 T HN 1.948 nan 8.240 nan 0.000 0.535 348 A N 2.814 125.264 122.820 -0.616 0.000 2.546 348 A HA 0.423 4.742 4.320 -0.001 0.000 0.243 348 A C -2.071 175.316 177.584 -0.328 0.000 1.063 348 A CA -1.068 50.357 52.037 -1.020 0.000 0.757 348 A CB -1.027 17.568 19.000 -0.675 0.000 0.991 348 A HN 0.697 nan 8.150 nan 0.000 0.503 349 P HA 0.249 nan 4.420 nan 0.000 0.269 349 P C -0.053 177.264 177.300 0.028 0.000 1.215 349 P CA 0.268 63.347 63.100 -0.034 0.000 0.780 349 P CB 0.570 32.256 31.700 -0.023 0.000 0.898 350 A N 2.754 125.522 122.820 -0.086 0.000 2.425 350 A HA 0.076 4.396 4.320 -0.001 0.000 0.249 350 A C 1.411 178.873 177.584 -0.203 0.000 1.084 350 A CA -0.063 51.728 52.037 -0.410 0.000 0.781 350 A CB 0.060 18.855 19.000 -0.342 0.000 1.019 350 A HN 0.433 nan 8.150 nan 0.000 0.490 351 K N 1.836 122.115 120.400 -0.203 0.000 2.211 351 K HA -0.190 4.129 4.320 -0.001 0.000 0.204 351 K C 2.101 178.662 176.600 -0.065 0.000 1.047 351 K CA 1.544 57.778 56.287 -0.087 0.000 0.935 351 K CB -0.656 31.807 32.500 -0.063 0.000 0.728 351 K HN 0.814 nan 8.250 nan 0.000 0.452 352 A N 1.293 124.061 122.820 -0.087 0.000 1.978 352 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 352 A C 2.122 179.686 177.584 -0.034 0.000 1.170 352 A CA 1.115 53.119 52.037 -0.055 0.000 0.636 352 A CB -0.553 18.410 19.000 -0.062 0.000 0.810 352 A HN 0.230 nan 8.150 nan 0.000 0.448 353 L N -1.429 119.773 121.223 -0.035 0.000 2.551 353 L HA 0.063 4.402 4.340 -0.001 0.000 0.228 353 L C 1.577 178.448 176.870 0.002 0.000 1.153 353 L CA 0.335 55.168 54.840 -0.012 0.000 0.851 353 L CB -0.638 41.416 42.059 -0.007 0.000 0.959 353 L HN 0.550 nan 8.230 nan 0.000 0.451 354 A N 0.488 123.308 122.820 -0.000 0.000 2.687 354 A HA -0.204 4.115 4.320 -0.001 0.000 0.299 354 A C 0.542 178.141 177.584 0.026 0.000 1.497 354 A CA 0.961 53.005 52.037 0.012 0.000 0.751 354 A CB -1.712 17.295 19.000 0.012 0.000 1.048 354 A HN 0.415 nan 8.150 nan 0.000 0.464 355 S N -1.201 114.519 115.700 0.033 0.000 2.548 355 S HA 0.669 5.139 4.470 -0.001 0.000 0.276 355 S C 0.825 175.475 174.600 0.084 0.000 1.129 355 S CA 0.628 58.861 58.200 0.055 0.000 0.931 355 S CB 1.520 64.754 63.200 0.057 0.000 1.068 355 S HN 1.521 nan 8.310 nan 0.000 0.480 356 T N 0.747 115.365 114.554 0.106 0.000 3.144 356 T HA 0.546 4.895 4.350 -0.001 0.000 0.249 356 T C 1.031 175.893 174.700 0.270 0.000 1.089 356 T CA 0.412 62.609 62.100 0.163 0.000 0.989 356 T CB -0.687 68.248 68.868 0.113 0.000 0.992 356 T HN 1.821 nan 8.240 nan 0.000 0.540 357 G N 0.920 109.855 108.800 0.225 0.000 2.650 357 G HA2 0.020 3.979 3.960 -0.001 0.000 0.686 357 G HA3 0.020 3.979 3.960 -0.001 0.000 0.686 357 G C -1.308 173.694 174.900 0.171 0.000 1.205 357 G CA -0.657 44.613 45.100 0.283 0.000 0.781 357 G HN 0.394 nan 8.290 nan 0.000 0.648 358 D N 1.338 121.837 120.400 0.165 0.000 2.348 358 D HA 0.480 5.119 4.640 -0.001 0.000 0.253 358 D C -1.129 175.232 176.300 0.101 0.000 1.161 358 D CA -1.913 52.153 54.000 0.110 0.000 0.876 358 D CB 1.519 42.383 40.800 0.107 0.000 1.160 358 D HN 0.056 nan 8.370 nan 0.000 0.459 359 P HA 0.067 nan 4.420 nan 0.000 0.253 359 P C 0.953 178.271 177.300 0.030 0.000 1.260 359 P CA 0.115 63.235 63.100 0.034 0.000 0.800 359 P CB 0.032 31.723 31.700 -0.016 0.000 1.162 360 R N -0.811 119.693 120.500 0.006 0.000 2.170 360 R HA -0.176 4.163 4.340 -0.001 0.000 0.242 360 R C 0.794 177.089 176.300 -0.009 0.000 1.145 360 R CA 1.641 57.749 56.100 0.013 0.000 0.984 360 R CB -1.401 28.859 30.300 -0.067 0.000 0.869 360 R HN 0.235 nan 8.270 nan 0.000 0.455 361 Y N 0.331 120.769 120.300 0.229 0.000 2.457 361 Y HA 0.246 4.795 4.550 -0.001 0.000 0.263 361 Y C 1.400 177.508 175.900 0.346 0.000 1.164 361 Y CA -0.124 58.132 58.100 0.260 0.000 1.274 361 Y CB 0.317 38.906 38.460 0.216 0.000 1.097 361 Y HN 0.178 nan 8.280 nan 0.000 0.523 362 N N 0.004 118.908 118.700 0.340 0.000 2.516 362 N HA -0.015 4.724 4.740 -0.001 0.000 0.197 362 N C 1.946 177.575 175.510 0.199 0.000 1.064 362 N CA 0.336 53.586 53.050 0.333 0.000 0.866 362 N CB -0.164 38.434 38.487 0.185 0.000 1.255 362 N HN 0.381 nan 8.380 nan 0.000 0.447 363 R N 1.589 122.074 120.500 -0.025 0.000 2.103 363 R HA -0.106 4.233 4.340 -0.001 0.000 0.242 363 R C 2.059 178.206 176.300 -0.254 0.000 1.142 363 R CA 1.244 57.129 56.100 -0.360 0.000 0.960 363 R CB -0.853 28.909 30.300 -0.897 0.000 0.858 363 R HN 0.085 nan 8.270 nan 0.000 0.439 364 L N 0.771 121.885 121.223 -0.181 0.000 2.012 364 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 364 L C 1.936 178.619 176.870 -0.311 0.000 1.073 364 L CA 1.739 56.395 54.840 -0.307 0.000 0.748 364 L CB -0.628 41.102 42.059 -0.548 0.000 0.891 364 L HN 0.322 nan 8.230 nan 0.000 0.431 365 W N -0.751 120.647 121.300 0.164 0.000 2.392 365 W HA -0.106 4.554 4.660 -0.001 0.000 0.279 365 W C 2.335 178.926 176.519 0.121 0.000 1.225 365 W CA 0.995 58.431 57.345 0.150 0.000 1.233 365 W CB -1.058 28.492 29.460 0.151 0.000 1.122 365 W HN 0.064 nan 8.180 nan 0.000 0.561 366 T N 1.019 115.717 114.554 0.240 0.000 2.857 366 T HA -0.157 4.192 4.350 -0.001 0.000 0.266 366 T C 1.739 176.477 174.700 0.064 0.000 1.048 366 T CA 1.140 63.345 62.100 0.176 0.000 1.139 366 T CB -0.447 68.523 68.868 0.170 0.000 0.874 366 T HN -0.002 nan 8.240 nan 0.000 0.455 367 L N 0.803 122.064 121.223 0.063 0.000 2.072 367 L HA 0.134 4.473 4.340 -0.001 0.000 0.205 367 L C 2.087 178.917 176.870 -0.067 0.000 1.079 367 L CA 1.588 56.402 54.840 -0.045 0.000 0.752 367 L CB -0.663 41.402 42.059 0.011 0.000 0.906 367 L HN 0.107 nan 8.230 nan 0.000 0.436 368 M N -0.638 118.984 119.600 0.036 0.000 2.229 368 M HA 0.093 4.572 4.480 -0.001 0.000 0.264 368 M C 1.883 178.284 176.300 0.167 0.000 1.063 368 M CA 1.283 56.642 55.300 0.099 0.000 1.114 368 M CB -1.544 31.185 32.600 0.215 0.000 1.387 368 M HN 0.521 nan 8.290 nan 0.000 0.420 369 G N 0.342 109.280 108.800 0.230 0.000 2.195 369 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.246 369 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.246 369 G C 0.095 175.303 174.900 0.513 0.000 0.984 369 G CA 0.296 45.638 45.100 0.403 0.000 0.633 369 G HN 0.483 nan 8.290 nan 0.000 0.525 370 N N 2.485 121.448 118.700 0.438 0.000 2.374 370 N HA 0.417 5.156 4.740 -0.001 0.000 0.241 370 N C -2.111 173.494 175.510 0.158 0.000 1.262 370 N CA -0.162 53.060 53.050 0.287 0.000 0.880 370 N CB 0.604 39.265 38.487 0.290 0.000 1.105 370 N HN 0.258 nan 8.380 nan 0.000 0.438 371 P HA 0.165 nan 4.420 nan 0.000 0.281 371 P C -0.818 176.481 177.300 -0.001 0.000 1.252 371 P CA -0.222 62.882 63.100 0.007 0.000 0.778 371 P CB 0.460 32.140 31.700 -0.032 0.000 0.895 372 C N 3.521 122.819 119.300 -0.004 0.000 2.455 372 C HA 0.609 5.068 4.460 -0.001 0.000 0.320 372 C C 0.081 175.033 174.990 -0.063 0.000 1.226 372 C CA -0.460 58.529 59.018 -0.048 0.000 1.569 372 C CB 1.577 29.303 27.740 -0.024 0.000 2.200 372 C HN 0.352 nan 8.230 nan 0.000 0.491 373 V N 2.965 122.832 119.914 -0.077 0.000 2.588 373 V HA 0.421 4.540 4.120 -0.001 0.000 0.304 373 V C -0.352 175.697 176.094 -0.076 0.000 1.042 373 V CA -0.455 61.798 62.300 -0.078 0.000 0.877 373 V CB 1.961 33.750 31.823 -0.057 0.000 0.996 373 V HN 0.882 nan 8.190 nan 0.000 0.425 374 N N 3.066 121.718 118.700 -0.080 0.000 2.499 374 N HA 0.522 5.261 4.740 -0.001 0.000 0.281 374 N C -1.090 174.392 175.510 -0.047 0.000 1.098 374 N CA -0.180 52.835 53.050 -0.058 0.000 0.979 374 N CB 1.574 40.032 38.487 -0.049 0.000 1.121 374 N HN 0.428 nan 8.380 nan 0.000 0.466 375 V N 5.083 124.975 119.914 -0.036 0.000 2.407 375 V HA 0.426 4.545 4.120 -0.001 0.000 0.291 375 V C -2.218 173.859 176.094 -0.027 0.000 1.018 375 V CA -1.761 60.520 62.300 -0.032 0.000 0.842 375 V CB 1.488 33.293 31.823 -0.029 0.000 0.996 375 V HN 0.754 nan 8.190 nan 0.000 0.426 376 P HA 0.164 nan 4.420 nan 0.000 0.267 376 P C 0.411 177.692 177.300 -0.032 0.000 1.205 376 P CA 0.351 63.436 63.100 -0.024 0.000 0.765 376 P CB 1.270 32.957 31.700 -0.022 0.000 0.828 377 V N 3.588 123.482 119.914 -0.033 0.000 2.721 377 V HA 0.179 4.298 4.120 -0.001 0.000 0.236 377 V C 0.742 176.812 176.094 -0.040 0.000 1.116 377 V CA 1.079 63.357 62.300 -0.036 0.000 1.148 377 V CB -0.296 31.509 31.823 -0.030 0.000 0.886 377 V HN 0.414 nan 8.190 nan 0.000 0.490 378 L N -1.371 119.826 121.223 -0.043 0.000 2.816 378 L HA 0.695 5.035 4.340 -0.001 0.000 0.262 378 L C -1.613 175.217 176.870 -0.067 0.000 1.106 378 L CA -0.862 53.949 54.840 -0.049 0.000 0.973 378 L CB 1.458 43.493 42.059 -0.039 0.000 1.570 378 L HN 0.056 nan 8.230 nan 0.000 0.379 379 K N 0.144 120.502 120.400 -0.069 0.000 2.427 379 K HA 0.793 5.112 4.320 -0.001 0.000 0.252 379 K C -1.466 175.091 176.600 -0.071 0.000 0.931 379 K CA -0.675 55.558 56.287 -0.090 0.000 0.793 379 K CB 2.962 35.396 32.500 -0.109 0.000 1.211 379 K HN 0.416 nan 8.250 nan 0.000 0.426 380 V N 1.699 121.565 119.914 -0.080 0.000 2.444 380 V HA 0.452 4.572 4.120 -0.001 0.000 0.294 380 V C 0.808 176.853 176.094 -0.082 0.000 1.022 380 V CA -0.229 62.031 62.300 -0.067 0.000 0.850 380 V CB 1.222 33.008 31.823 -0.060 0.000 0.992 380 V HN 1.042 nan 8.190 nan 0.000 0.426 381 G N 3.654 112.417 108.800 -0.063 0.000 2.203 381 G HA2 0.010 3.969 3.960 -0.001 0.000 0.263 381 G HA3 0.010 3.969 3.960 -0.001 0.000 0.263 381 G C 1.179 176.033 174.900 -0.077 0.000 1.012 381 G CA 0.775 45.837 45.100 -0.063 0.000 0.749 381 G HN 2.315 nan 8.290 nan 0.000 0.512 382 G N -2.353 106.404 108.800 -0.071 0.000 2.179 382 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.260 382 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.260 382 G C 0.258 175.095 174.900 -0.106 0.000 0.977 382 G CA 0.539 45.602 45.100 -0.062 0.000 0.641 382 G HN 1.233 nan 8.290 nan 0.000 0.533 383 L N 1.068 122.196 121.223 -0.158 0.000 2.295 383 L HA 0.457 4.796 4.340 -0.001 0.000 0.285 383 L C -1.970 174.782 176.870 -0.196 0.000 1.035 383 L CA -1.866 52.849 54.840 -0.208 0.000 0.806 383 L CB 1.078 42.968 42.059 -0.282 0.000 1.214 383 L HN -0.136 nan 8.230 nan 0.000 0.426 384 P HA 0.190 nan 4.420 nan 0.000 0.269 384 P C -0.650 176.614 177.300 -0.060 0.000 1.209 384 P CA 0.077 63.063 63.100 -0.190 0.000 0.776 384 P CB 0.795 32.341 31.700 -0.257 0.000 0.876 385 I N 1.580 122.127 120.570 -0.040 0.000 2.619 385 I HA 0.545 4.714 4.170 -0.001 0.000 0.292 385 I C 0.533 176.652 176.117 0.003 0.000 1.100 385 I CA -0.169 61.134 61.300 0.005 0.000 1.043 385 I CB 1.778 39.772 38.000 -0.009 0.000 1.239 385 I HN 0.451 nan 8.210 nan 0.000 0.420 386 G N 4.469 113.283 108.800 0.024 0.000 2.818 386 G HA2 0.804 4.763 3.960 -0.001 0.000 0.286 386 G HA3 0.804 4.763 3.960 -0.001 0.000 0.286 386 G C -1.098 173.809 174.900 0.011 0.000 1.364 386 G CA -0.538 44.567 45.100 0.007 0.000 0.938 386 G HN 0.494 nan 8.290 nan 0.000 0.490 387 V N -2.621 117.285 119.914 -0.012 0.000 3.001 387 V HA 0.785 4.904 4.120 -0.001 0.000 0.314 387 V C -0.645 175.421 176.094 -0.047 0.000 1.099 387 V CA -1.062 61.220 62.300 -0.030 0.000 0.989 387 V CB 1.675 33.466 31.823 -0.054 0.000 1.040 387 V HN 0.834 nan 8.190 nan 0.000 0.434 388 Q N 1.450 121.206 119.800 -0.073 0.000 2.333 388 Q HA 0.673 5.012 4.340 -0.001 0.000 0.265 388 Q C -1.593 174.316 176.000 -0.151 0.000 0.989 388 Q CA -0.601 55.140 55.803 -0.104 0.000 0.842 388 Q CB 2.044 30.720 28.738 -0.105 0.000 1.262 388 Q HN 0.812 nan 8.270 nan 0.000 0.451 389 V N 6.334 126.174 119.914 -0.124 0.000 2.407 389 V HA 0.449 4.568 4.120 -0.001 0.000 0.278 389 V C -0.126 175.885 176.094 -0.137 0.000 1.037 389 V CA -0.387 61.845 62.300 -0.113 0.000 0.900 389 V CB 1.132 32.918 31.823 -0.061 0.000 0.983 389 V HN 0.708 nan 8.190 nan 0.000 0.459 390 I N 4.006 124.488 120.570 -0.147 0.000 2.498 390 I HA 0.800 4.969 4.170 -0.001 0.000 0.290 390 I C 0.225 176.391 176.117 0.081 0.000 1.032 390 I CA -0.436 60.793 61.300 -0.120 0.000 1.073 390 I CB 1.990 39.766 38.000 -0.373 0.000 1.251 390 I HN 0.685 nan 8.210 nan 0.000 0.426 391 A N 5.955 128.782 122.820 0.011 0.000 2.347 391 A HA 0.765 5.084 4.320 -0.001 0.000 0.301 391 A C -0.222 177.015 177.584 -0.578 0.000 1.163 391 A CA -0.816 51.173 52.037 -0.080 0.000 0.860 391 A CB 0.998 19.985 19.000 -0.022 0.000 1.367 391 A HN 0.708 nan 8.150 nan 0.000 0.461 392 R N -0.613 119.331 120.500 -0.925 0.000 2.734 392 R HA 0.141 4.480 4.340 -0.001 0.000 0.266 392 R C -0.472 175.649 176.300 -0.298 0.000 1.044 392 R CA -0.089 55.455 56.100 -0.927 0.000 1.128 392 R CB 0.159 30.130 30.300 -0.547 0.000 1.010 392 R HN 0.582 nan 8.270 nan 0.000 0.461 393 F N 1.230 121.042 119.950 -0.230 0.000 2.623 393 F HA 0.031 4.558 4.527 0.000 0.000 0.383 393 F C 1.403 177.173 175.800 -0.049 0.000 1.077 393 F CA 1.970 59.934 58.000 -0.060 0.000 1.268 393 F CB 0.310 39.315 39.000 0.009 0.000 1.053 393 F HN 0.843 nan 8.300 nan 0.000 0.571 394 G N 3.824 112.232 108.800 -0.653 0.000 2.179 394 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.260 394 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.260 394 G C 0.558 175.334 174.900 -0.207 0.000 0.977 394 G CA 0.362 45.218 45.100 -0.407 0.000 0.641 394 G HN 0.791 nan 8.290 nan 0.000 0.533 395 N N 1.026 119.626 118.700 -0.167 0.000 2.558 395 N HA 0.331 5.070 4.740 -0.001 0.000 0.281 395 N C 1.213 176.699 175.510 -0.039 0.000 1.219 395 N CA 0.461 53.456 53.050 -0.091 0.000 0.942 395 N CB -0.059 38.385 38.487 -0.072 0.000 1.241 395 N HN 0.360 nan 8.380 nan 0.000 0.511 396 D N 0.021 120.392 120.400 -0.048 0.000 2.133 396 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 396 D C 1.824 178.199 176.300 0.124 0.000 0.997 396 D CA 1.636 55.673 54.000 0.063 0.000 0.840 396 D CB -0.044 40.878 40.800 0.204 0.000 0.947 396 D HN 0.418 nan 8.370 nan 0.000 0.452 397 A N 0.245 123.094 122.820 0.049 0.000 1.892 397 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 397 A C 2.070 179.734 177.584 0.135 0.000 1.188 397 A CA 2.100 54.184 52.037 0.078 0.000 0.631 397 A CB -0.947 18.011 19.000 -0.070 0.000 0.822 397 A HN 0.365 nan 8.150 nan 0.000 0.447 398 H N -0.320 118.751 119.070 0.003 0.000 2.462 398 H HA 0.207 4.762 4.556 -0.001 0.000 0.292 398 H C 2.089 177.440 175.328 0.038 0.000 1.049 398 H CA 1.235 57.290 56.048 0.012 0.000 1.334 398 H CB -0.230 29.521 29.762 -0.017 0.000 1.404 398 H HN 0.391 nan 8.280 nan 0.000 0.544 399 A N 0.257 123.066 122.820 -0.019 0.000 1.898 399 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 399 A C 2.443 180.013 177.584 -0.022 0.000 1.181 399 A CA 1.242 53.240 52.037 -0.064 0.000 0.620 399 A CB -0.719 18.268 19.000 -0.021 0.000 0.819 399 A HN 0.448 nan 8.150 nan 0.000 0.442 400 L N -0.827 120.428 121.223 0.053 0.000 2.093 400 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 400 L C 3.088 180.066 176.870 0.181 0.000 1.085 400 L CA 0.922 55.825 54.840 0.105 0.000 0.755 400 L CB -0.506 41.645 42.059 0.153 0.000 0.904 400 L HN 0.439 nan 8.230 nan 0.000 0.435 401 A N -0.309 122.601 122.820 0.148 0.000 1.877 401 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 401 A C 2.359 180.012 177.584 0.115 0.000 1.186 401 A CA 2.371 54.505 52.037 0.161 0.000 0.620 401 A CB -0.901 18.167 19.000 0.113 0.000 0.822 401 A HN 0.372 nan 8.150 nan 0.000 0.443 402 T N 0.215 114.732 114.554 -0.061 0.000 2.821 402 T HA 0.061 4.410 4.350 -0.001 0.000 0.267 402 T C 2.212 177.016 174.700 0.173 0.000 1.046 402 T CA 1.346 63.438 62.100 -0.012 0.000 1.139 402 T CB -0.410 68.332 68.868 -0.210 0.000 0.871 402 T HN 0.582 nan 8.240 nan 0.000 0.454 403 A N 1.188 124.074 122.820 0.110 0.000 1.902 403 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 403 A C 2.104 179.802 177.584 0.191 0.000 1.181 403 A CA 1.302 53.402 52.037 0.105 0.000 0.623 403 A CB -1.000 18.026 19.000 0.043 0.000 0.818 403 A HN 0.636 nan 8.150 nan 0.000 0.443 404 W N 0.125 121.445 121.300 0.034 0.000 2.358 404 W HA -0.203 4.456 4.660 -0.002 0.000 0.303 404 W C 1.941 178.493 176.519 0.054 0.000 1.208 404 W CA 1.395 58.762 57.345 0.036 0.000 1.274 404 W CB -1.058 28.431 29.460 0.049 0.000 1.138 404 W HN 0.456 nan 8.180 nan 0.000 0.515 405 F N 0.787 120.852 119.950 0.192 0.000 2.134 405 F HA -0.213 4.314 4.527 -0.001 0.000 0.299 405 F C 2.331 178.171 175.800 0.067 0.000 1.097 405 F CA 2.210 60.246 58.000 0.060 0.000 1.264 405 F CB -1.008 37.991 39.000 -0.001 0.000 1.001 405 F HN -0.144 nan 8.300 nan 0.000 0.479 406 L N 0.297 121.457 121.223 -0.106 0.000 2.046 406 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 406 L C 2.356 179.118 176.870 -0.181 0.000 1.077 406 L CA 1.786 56.480 54.840 -0.244 0.000 0.747 406 L CB -0.527 41.519 42.059 -0.022 0.000 0.896 406 L HN 0.228 nan 8.230 nan 0.000 0.432 407 E N -0.186 119.990 120.200 -0.041 0.000 2.058 407 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 407 E C 1.735 178.315 176.600 -0.034 0.000 0.997 407 E CA 1.593 57.982 56.400 -0.018 0.000 0.801 407 E CB -0.148 29.569 29.700 0.029 0.000 0.746 407 E HN 0.557 nan 8.360 nan 0.000 0.450 408 D N 0.466 120.861 120.400 -0.008 0.000 2.144 408 D HA -0.118 4.522 4.640 -0.001 0.000 0.199 408 D C 1.887 178.105 176.300 -0.138 0.000 0.984 408 D CA 1.237 55.219 54.000 -0.031 0.000 0.834 408 D CB -0.263 40.540 40.800 0.005 0.000 0.955 408 D HN 0.170 nan 8.370 nan 0.000 0.465 409 A N 0.603 123.240 122.820 -0.305 0.000 1.933 409 A HA -0.088 4.231 4.320 -0.001 0.000 0.218 409 A C 2.328 179.802 177.584 -0.183 0.000 1.175 409 A CA 0.778 52.617 52.037 -0.328 0.000 0.628 409 A CB -0.650 17.985 19.000 -0.607 0.000 0.814 409 A HN 0.207 nan 8.150 nan 0.000 0.444 410 L N -1.229 119.902 121.223 -0.152 0.000 2.313 410 L HA -0.064 4.275 4.340 -0.001 0.000 0.214 410 L C 2.767 179.599 176.870 -0.064 0.000 1.119 410 L CA 0.763 55.546 54.840 -0.094 0.000 0.809 410 L CB -0.258 41.754 42.059 -0.079 0.000 0.933 410 L HN 0.441 nan 8.230 nan 0.000 0.449 411 A N -1.271 121.515 122.820 -0.058 0.000 2.132 411 A HA 0.063 4.382 4.320 -0.001 0.000 0.213 411 A C 0.564 178.129 177.584 -0.032 0.000 1.154 411 A CA 0.150 52.167 52.037 -0.034 0.000 0.753 411 A CB 0.130 19.120 19.000 -0.017 0.000 0.826 411 A HN 0.236 nan 8.150 nan 0.000 0.469 412 K N 0.000 120.371 120.400 -0.048 0.000 2.780 412 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 412 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 412 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543