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 1och_1_A 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 QTGGXVIRPA 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 AKS 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 -0.014 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 I N 1.156 121.717 120.570 -0.016 0.000 2.365 2 I HA 0.319 4.511 4.170 0.036 0.000 0.291 2 I C 0.330 176.432 176.117 -0.024 0.000 1.004 2 I CA -0.381 60.908 61.300 -0.018 0.000 1.311 2 I CB 1.677 39.666 38.000 -0.018 0.000 1.401 2 I HN 0.587 nan 8.210 nan 0.000 0.491 3 S N 6.134 121.816 115.700 -0.029 0.000 2.452 3 S HA 0.246 4.738 4.470 0.036 0.000 0.284 3 S C 0.872 175.447 174.600 -0.040 0.000 1.171 3 S CA -0.672 57.502 58.200 -0.044 0.000 1.064 3 S CB 0.785 63.955 63.200 -0.050 0.000 0.967 3 S HN 0.675 nan 8.310 nan 0.000 0.484 4 L N 5.967 127.162 121.223 -0.048 0.000 1.994 4 L HA -0.001 4.361 4.340 0.036 0.000 0.208 4 L C 2.519 179.365 176.870 -0.039 0.000 1.071 4 L CA 2.123 56.938 54.840 -0.040 0.000 0.745 4 L CB -0.828 41.203 42.059 -0.047 0.000 0.892 4 L HN 0.853 nan 8.230 nan 0.000 0.431 5 A N -0.394 122.392 122.820 -0.057 0.000 1.908 5 A HA -0.319 4.023 4.320 0.036 0.000 0.218 5 A C 1.929 179.500 177.584 -0.023 0.000 1.181 5 A CA 2.083 54.093 52.037 -0.045 0.000 0.627 5 A CB -0.920 18.032 19.000 -0.080 0.000 0.818 5 A HN 0.648 nan 8.150 nan 0.000 0.445 6 D N 0.047 120.430 120.400 -0.027 0.000 2.087 6 D HA -0.157 4.505 4.640 0.036 0.000 0.192 6 D C 1.877 178.173 176.300 -0.006 0.000 0.993 6 D CA 1.628 55.620 54.000 -0.012 0.000 0.828 6 D CB -0.332 40.458 40.800 -0.016 0.000 0.968 6 D HN 0.412 nan 8.370 nan 0.000 0.448 7 L N 0.005 121.221 121.223 -0.010 0.000 2.013 7 L HA -0.237 4.124 4.340 0.036 0.000 0.212 7 L C 2.833 179.702 176.870 -0.001 0.000 1.073 7 L CA 1.455 56.291 54.840 -0.006 0.000 0.753 7 L CB -0.681 41.372 42.059 -0.009 0.000 0.890 7 L HN 0.208 nan 8.230 nan 0.000 0.432 8 Q N -0.240 119.559 119.800 -0.002 0.000 2.045 8 Q HA -0.264 4.098 4.340 0.036 0.000 0.206 8 Q C 2.434 178.440 176.000 0.010 0.000 0.991 8 Q CA 1.843 57.649 55.803 0.004 0.000 0.851 8 Q CB -0.185 28.555 28.738 0.004 0.000 0.911 8 Q HN 0.452 nan 8.270 nan 0.000 0.418 9 R N 0.135 120.642 120.500 0.012 0.000 2.083 9 R HA -0.120 4.242 4.340 0.036 0.000 0.237 9 R C 2.351 178.659 176.300 0.015 0.000 1.137 9 R CA 1.348 57.459 56.100 0.018 0.000 0.951 9 R CB -0.184 30.130 30.300 0.023 0.000 0.851 9 R HN 0.210 nan 8.270 nan 0.000 0.434 10 R N 0.164 120.671 120.500 0.011 0.000 2.092 10 R HA -0.051 4.311 4.340 0.036 0.000 0.231 10 R C 2.285 178.591 176.300 0.009 0.000 1.119 10 R CA 1.141 57.247 56.100 0.010 0.000 0.970 10 R CB -0.215 30.089 30.300 0.007 0.000 0.864 10 R HN 0.268 nan 8.270 nan 0.000 0.440 11 I N 0.350 120.925 120.570 0.009 0.000 2.286 11 I HA -0.194 3.998 4.170 0.036 0.000 0.245 11 I C 2.381 178.505 176.117 0.010 0.000 1.104 11 I CA 0.982 62.288 61.300 0.009 0.000 1.397 11 I CB -0.141 37.864 38.000 0.008 0.000 1.072 11 I HN 0.087 nan 8.210 nan 0.000 0.417 12 E N 1.077 121.284 120.200 0.012 0.000 2.153 12 E HA -0.217 4.155 4.350 0.036 0.000 0.194 12 E C 1.953 178.560 176.600 0.013 0.000 0.988 12 E CA 1.999 58.407 56.400 0.013 0.000 0.811 12 E CB -0.161 29.549 29.700 0.016 0.000 0.746 12 E HN 0.517 nan 8.360 nan 0.000 0.466 13 T N -4.100 110.462 114.554 0.012 0.000 3.081 13 T HA 0.281 4.653 4.350 0.036 0.000 0.250 13 T C 1.562 176.268 174.700 0.010 0.000 1.100 13 T CA 0.486 62.593 62.100 0.012 0.000 1.038 13 T CB 0.185 69.060 68.868 0.013 0.000 0.962 13 T HN 0.322 nan 8.240 nan 0.000 0.516 14 G N 1.595 110.401 108.800 0.010 0.000 2.179 14 G HA2 -0.344 3.638 3.960 0.036 0.000 0.260 14 G HA3 -0.344 3.638 3.960 0.036 0.000 0.260 14 G C 0.597 175.502 174.900 0.008 0.000 0.977 14 G CA 0.587 45.692 45.100 0.008 0.000 0.641 14 G HN 0.620 nan 8.290 nan 0.000 0.533 15 E N -0.910 119.295 120.200 0.008 0.000 2.204 15 E HA 0.135 4.507 4.350 0.036 0.000 0.195 15 E C 0.904 177.508 176.600 0.007 0.000 0.990 15 E CA 0.940 57.345 56.400 0.008 0.000 0.821 15 E CB -0.006 29.699 29.700 0.009 0.000 0.750 15 E HN 0.621 nan 8.360 nan 0.000 0.477 16 L N 0.346 121.574 121.223 0.008 0.000 2.422 16 L HA 0.316 4.678 4.340 0.036 0.000 0.264 16 L C -1.003 175.872 176.870 0.008 0.000 0.984 16 L CA -0.683 54.161 54.840 0.007 0.000 0.819 16 L CB 2.124 44.187 42.059 0.006 0.000 1.330 16 L HN -0.012 nan 8.230 nan 0.000 0.410 17 S N 3.442 119.147 115.700 0.009 0.000 2.508 17 S HA 0.601 5.093 4.470 0.036 0.000 0.284 17 S C -2.140 172.467 174.600 0.012 0.000 1.192 17 S CA -1.085 57.120 58.200 0.010 0.000 1.070 17 S CB 1.442 64.648 63.200 0.010 0.000 1.004 17 S HN 0.616 nan 8.310 nan 0.000 0.493 18 P HA -0.143 nan 4.420 nan 0.000 0.216 18 P C 1.218 178.530 177.300 0.021 0.000 1.153 18 P CA 1.255 64.364 63.100 0.014 0.000 0.858 18 P CB -0.012 31.696 31.700 0.014 0.000 0.789 19 N N -0.703 118.010 118.700 0.022 0.000 2.166 19 N HA -0.138 4.624 4.740 0.036 0.000 0.186 19 N C 1.682 177.213 175.510 0.034 0.000 1.019 19 N CA 1.565 54.633 53.050 0.029 0.000 0.856 19 N CB -0.588 37.911 38.487 0.021 0.000 0.993 19 N HN 0.102 nan 8.380 nan 0.000 0.426 20 A N 1.313 124.148 122.820 0.024 0.000 1.898 20 A HA 0.070 4.412 4.320 0.036 0.000 0.216 20 A C 2.444 180.043 177.584 0.025 0.000 1.181 20 A CA 1.670 53.720 52.037 0.023 0.000 0.620 20 A CB -0.725 18.284 19.000 0.015 0.000 0.819 20 A HN 0.307 nan 8.150 nan 0.000 0.442 21 A N 0.103 122.934 122.820 0.018 0.000 1.883 21 A HA -0.110 4.232 4.320 0.036 0.000 0.217 21 A C 2.014 179.605 177.584 0.012 0.000 1.186 21 A CA 1.758 53.802 52.037 0.011 0.000 0.624 21 A CB -0.516 18.488 19.000 0.005 0.000 0.822 21 A HN 0.409 nan 8.150 nan 0.000 0.444 22 I N -0.125 120.462 120.570 0.028 0.000 2.252 22 I HA -0.204 3.987 4.170 0.036 0.000 0.245 22 I C 2.937 179.123 176.117 0.114 0.000 1.102 22 I CA 1.371 62.693 61.300 0.038 0.000 1.385 22 I CB -1.640 36.408 38.000 0.079 0.000 1.064 22 I HN 0.366 nan 8.210 nan 0.000 0.414 23 A N 0.211 123.110 122.820 0.133 0.000 1.978 23 A HA -0.246 4.096 4.320 0.036 0.000 0.220 23 A C 2.263 179.911 177.584 0.106 0.000 1.170 23 A CA 1.493 53.619 52.037 0.149 0.000 0.636 23 A CB -0.605 18.439 19.000 0.073 0.000 0.810 23 A HN 0.500 nan 8.150 nan 0.000 0.448 24 Q N -0.532 119.299 119.800 0.052 0.000 2.084 24 Q HA -0.111 4.251 4.340 0.036 0.000 0.202 24 Q C 2.476 178.479 176.000 0.006 0.000 0.978 24 Q CA 1.741 57.558 55.803 0.024 0.000 0.844 24 Q CB -0.165 28.578 28.738 0.008 0.000 0.898 24 Q HN 0.656 nan 8.270 nan 0.000 0.426 25 S N -0.308 115.374 115.700 -0.030 0.000 2.355 25 S HA -0.148 4.344 4.470 0.036 0.000 0.222 25 S C 1.676 176.208 174.600 -0.113 0.000 1.031 25 S CA 0.801 58.943 58.200 -0.097 0.000 0.993 25 S CB -0.300 62.802 63.200 -0.164 0.000 0.859 25 S HN 0.427 nan 8.310 nan 0.000 0.453 26 H N 1.361 120.423 119.070 -0.013 0.000 2.353 26 H HA -0.051 4.527 4.556 0.037 0.000 0.298 26 H C 2.442 177.781 175.328 0.018 0.000 1.103 26 H CA 1.467 57.538 56.048 0.037 0.000 1.293 26 H CB -0.598 29.205 29.762 0.068 0.000 1.372 26 H HN 0.430 nan 8.280 nan 0.000 0.501 27 A N 1.045 123.938 122.820 0.121 0.000 1.873 27 A HA -0.070 4.272 4.320 0.036 0.000 0.215 27 A C 2.742 180.337 177.584 0.019 0.000 1.186 27 A CA 1.780 53.853 52.037 0.060 0.000 0.616 27 A CB -0.895 18.129 19.000 0.040 0.000 0.823 27 A HN 0.433 nan 8.150 nan 0.000 0.442 28 A N -0.066 122.751 122.820 -0.006 0.000 1.908 28 A HA -0.114 4.228 4.320 0.036 0.000 0.218 28 A C 2.137 179.695 177.584 -0.044 0.000 1.181 28 A CA 1.604 53.626 52.037 -0.026 0.000 0.627 28 A CB -0.646 18.334 19.000 -0.033 0.000 0.818 28 A HN 0.515 nan 8.150 nan 0.000 0.445 29 I N -0.565 119.950 120.570 -0.091 0.000 2.142 29 I HA -0.219 3.973 4.170 0.036 0.000 0.240 29 I C 2.486 178.561 176.117 -0.071 0.000 1.078 29 I CA 1.361 62.563 61.300 -0.163 0.000 1.343 29 I CB -0.432 37.250 38.000 -0.531 0.000 1.046 29 I HN 0.284 nan 8.210 nan 0.000 0.405 30 E N 0.936 121.136 120.200 0.000 0.000 2.160 30 E HA -0.214 4.158 4.350 0.036 0.000 0.195 30 E C 2.244 178.848 176.600 0.006 0.000 0.991 30 E CA 1.422 57.843 56.400 0.034 0.000 0.810 30 E CB -0.249 29.486 29.700 0.059 0.000 0.742 30 E HN 0.514 nan 8.360 nan 0.000 0.466 31 A N 0.648 123.464 122.820 -0.005 0.000 2.067 31 A HA -0.101 4.241 4.320 0.036 0.000 0.219 31 A C 1.815 179.383 177.584 -0.026 0.000 1.158 31 A CA 1.083 53.112 52.037 -0.013 0.000 0.661 31 A CB -0.015 18.977 19.000 -0.014 0.000 0.801 31 A HN 0.101 nan 8.150 nan 0.000 0.452 32 R N -2.046 118.433 120.500 -0.035 0.000 2.539 32 R HA 0.124 4.485 4.340 0.036 0.000 0.342 32 R C 0.909 177.160 176.300 -0.082 0.000 0.941 32 R CA -0.207 55.860 56.100 -0.055 0.000 1.146 32 R CB 0.147 30.413 30.300 -0.057 0.000 1.541 32 R HN 0.224 nan 8.270 nan 0.000 0.525 33 E N 2.121 122.289 120.200 -0.052 0.000 2.085 33 E HA -0.153 4.219 4.350 0.036 0.000 0.194 33 E C 1.176 177.667 176.600 -0.181 0.000 0.994 33 E CA 1.356 57.724 56.400 -0.052 0.000 0.801 33 E CB 0.199 29.918 29.700 0.031 0.000 0.743 33 E HN 0.247 nan 8.360 nan 0.000 0.453 34 K N 0.340 120.670 120.400 -0.116 0.000 2.360 34 K HA -0.142 4.199 4.320 0.036 0.000 0.201 34 K C 2.011 178.432 176.600 -0.299 0.000 1.046 34 K CA 0.891 57.115 56.287 -0.105 0.000 0.945 34 K CB 0.083 32.582 32.500 -0.001 0.000 0.750 34 K HN 0.191 nan 8.250 nan 0.000 0.464 35 E N 0.329 120.333 120.200 -0.327 0.000 2.201 35 E HA -0.050 4.322 4.350 0.036 0.000 0.193 35 E C 1.543 177.915 176.600 -0.380 0.000 0.957 35 E CA 0.375 56.612 56.400 -0.271 0.000 0.858 35 E CB 0.575 30.199 29.700 -0.127 0.000 0.816 35 E HN 0.010 nan 8.360 nan 0.000 0.475 36 V N 0.001 119.678 119.914 -0.394 0.000 2.922 36 V HA 0.022 4.164 4.120 0.036 0.000 0.242 36 V C -0.099 175.904 176.094 -0.152 0.000 1.094 36 V CA 0.933 63.103 62.300 -0.217 0.000 1.106 36 V CB -0.561 31.201 31.823 -0.101 0.000 0.799 36 V HN 0.409 nan 8.190 nan 0.000 0.474 37 H N -0.340 118.757 119.070 0.044 0.000 2.748 37 H HA -0.176 4.402 4.556 0.036 0.000 0.322 37 H C 1.214 176.559 175.328 0.029 0.000 1.208 37 H CA 0.399 56.479 56.048 0.053 0.000 1.151 37 H CB -1.482 28.300 29.762 0.033 0.000 1.505 37 H HN 0.483 nan 8.280 nan 0.000 0.429 38 A N -0.416 122.456 122.820 0.086 0.000 2.178 38 A HA 0.289 4.630 4.320 0.036 0.000 0.211 38 A C 0.285 177.719 177.584 -0.250 0.000 1.157 38 A CA 0.315 52.294 52.037 -0.096 0.000 0.780 38 A CB 0.369 19.250 19.000 -0.198 0.000 0.828 38 A HN 0.255 nan 8.150 nan 0.000 0.476 39 F N -1.737 118.212 119.950 -0.002 0.000 2.458 39 F HA 0.395 4.944 4.527 0.037 0.000 0.336 39 F C 1.166 176.986 175.800 0.033 0.000 1.114 39 F CA -0.490 57.512 58.000 0.002 0.000 0.987 39 F CB 2.006 41.003 39.000 -0.004 0.000 1.130 39 F HN -0.162 nan 8.300 nan 0.000 0.458 40 V N 2.322 122.347 119.914 0.185 0.000 2.488 40 V HA -0.038 4.104 4.120 0.036 0.000 0.246 40 V C 0.505 176.698 176.094 0.165 0.000 1.046 40 V CA 1.286 63.665 62.300 0.131 0.000 1.053 40 V CB -0.544 31.327 31.823 0.080 0.000 0.679 40 V HN 0.745 nan 8.190 nan 0.000 0.458 41 R N -0.284 120.351 120.500 0.225 0.000 2.604 41 R HA 0.453 4.815 4.340 0.036 0.000 0.270 41 R C -1.138 175.310 176.300 0.246 0.000 1.052 41 R CA -0.664 55.550 56.100 0.190 0.000 0.902 41 R CB 1.203 31.578 30.300 0.124 0.000 1.233 41 R HN 0.373 nan 8.270 nan 0.000 0.455 42 H N 1.788 120.860 119.070 0.004 0.000 2.646 42 H HA 0.162 4.740 4.556 0.037 0.000 0.328 42 H C -1.190 174.107 175.328 -0.052 0.000 0.998 42 H CA -0.728 55.235 56.048 -0.143 0.000 1.225 42 H CB 1.843 31.424 29.762 -0.302 0.000 1.457 42 H HN 0.666 nan 8.280 nan 0.000 0.505 43 D N 5.326 125.821 120.400 0.158 0.000 2.453 43 D HA 0.023 4.685 4.640 0.036 0.000 0.223 43 D C 0.725 177.028 176.300 0.005 0.000 1.183 43 D CA -0.184 53.839 54.000 0.038 0.000 0.933 43 D CB 0.725 41.577 40.800 0.085 0.000 1.038 43 D HN 0.591 nan 8.370 nan 0.000 0.513 44 K N 1.010 121.217 120.400 -0.322 0.000 2.280 44 K HA -0.092 4.250 4.320 0.036 0.000 0.202 44 K C 1.558 177.953 176.600 -0.340 0.000 1.047 44 K CA 0.786 56.816 56.287 -0.428 0.000 0.942 44 K CB 0.088 32.299 32.500 -0.482 0.000 0.739 44 K HN 0.390 nan 8.250 nan 0.000 0.457 45 S N 0.181 115.789 115.700 -0.154 0.000 2.593 45 S HA 0.148 4.640 4.470 0.036 0.000 0.217 45 S C 0.848 175.439 174.600 -0.016 0.000 0.966 45 S CA -0.232 57.902 58.200 -0.111 0.000 0.914 45 S CB 0.010 63.167 63.200 -0.073 0.000 0.776 45 S HN 0.191 nan 8.310 nan 0.000 0.523 46 A N 2.206 125.087 122.820 0.102 0.000 2.548 46 A HA 0.422 4.764 4.320 0.036 0.000 0.247 46 A C 0.505 178.212 177.584 0.206 0.000 1.067 46 A CA -0.125 52.012 52.037 0.166 0.000 0.757 46 A CB 0.057 19.180 19.000 0.205 0.000 0.996 46 A HN 0.635 nan 8.150 nan 0.000 0.504 47 R N 1.421 121.985 120.500 0.107 0.000 2.892 47 R HA 0.664 5.026 4.340 0.036 0.000 0.265 47 R C 0.018 176.356 176.300 0.063 0.000 1.025 47 R CA -0.516 55.636 56.100 0.086 0.000 0.982 47 R CB 1.881 32.206 30.300 0.041 0.000 1.185 47 R HN 0.825 nan 8.270 nan 0.000 0.484 48 A N 1.344 124.195 122.820 0.052 0.000 2.425 48 A HA 0.134 4.476 4.320 0.036 0.000 0.242 48 A C -0.124 177.475 177.584 0.025 0.000 1.077 48 A CA -0.098 51.960 52.037 0.034 0.000 0.781 48 A CB 0.369 19.387 19.000 0.029 0.000 1.020 48 A HN 0.595 nan 8.150 nan 0.000 0.494 49 Q N -0.196 119.616 119.800 0.020 0.000 2.212 49 Q HA 0.467 4.829 4.340 0.036 0.000 0.238 49 Q C 1.162 177.170 176.000 0.014 0.000 0.955 49 Q CA -0.041 55.772 55.803 0.016 0.000 0.906 49 Q CB 1.410 30.157 28.738 0.015 0.000 1.215 49 Q HN 0.835 nan 8.270 nan 0.000 0.478 50 A N 0.753 123.580 122.820 0.012 0.000 1.970 50 A HA -0.021 4.321 4.320 0.036 0.000 0.216 50 A C 0.771 178.361 177.584 0.010 0.000 1.170 50 A CA 1.331 53.374 52.037 0.010 0.000 0.645 50 A CB 0.087 19.092 19.000 0.009 0.000 0.816 50 A HN 0.650 nan 8.150 nan 0.000 0.447 51 S N -3.261 112.445 115.700 0.010 0.000 2.651 51 S HA 0.697 5.188 4.470 0.036 0.000 0.279 51 S C -0.217 174.389 174.600 0.011 0.000 1.148 51 S CA -0.008 58.198 58.200 0.010 0.000 0.837 51 S CB 1.219 64.425 63.200 0.010 0.000 1.138 51 S HN 2.079 nan 8.310 nan 0.000 0.478 52 G N 1.128 109.935 108.800 0.011 0.000 2.576 52 G HA2 0.113 4.095 3.960 0.036 0.000 0.686 52 G HA3 0.113 4.095 3.960 0.036 0.000 0.686 52 G C -2.353 172.554 174.900 0.012 0.000 1.242 52 G CA -0.255 44.852 45.100 0.012 0.000 0.819 52 G HN 0.630 nan 8.290 nan 0.000 0.655 53 P HA -0.017 nan 4.420 nan 0.000 0.222 53 P C 1.454 178.759 177.300 0.008 0.000 1.147 53 P CA 0.954 64.061 63.100 0.012 0.000 0.790 53 P CB 0.179 31.889 31.700 0.016 0.000 0.780 54 L N -0.291 120.936 121.223 0.007 0.000 2.741 54 L HA 0.197 4.559 4.340 0.036 0.000 0.237 54 L C 1.223 178.096 176.870 0.005 0.000 1.178 54 L CA -0.584 54.258 54.840 0.003 0.000 0.973 54 L CB -0.369 41.691 42.059 0.002 0.000 1.255 54 L HN -0.028 nan 8.230 nan 0.000 0.498 55 R N 0.181 120.686 120.500 0.008 0.000 2.489 55 R HA 0.346 4.708 4.340 0.036 0.000 0.287 55 R C 0.856 177.161 176.300 0.008 0.000 1.053 55 R CA 0.599 56.704 56.100 0.009 0.000 1.036 55 R CB 0.179 30.485 30.300 0.011 0.000 0.966 55 R HN 0.162 nan 8.270 nan 0.000 0.432 56 G N 2.538 111.344 108.800 0.009 0.000 2.176 56 G HA2 -0.202 3.780 3.960 0.036 0.000 0.253 56 G HA3 -0.202 3.780 3.960 0.036 0.000 0.253 56 G C -0.050 174.850 174.900 -0.000 0.000 0.979 56 G CA -0.003 45.102 45.100 0.008 0.000 0.641 56 G HN 0.552 nan 8.290 nan 0.000 0.530 57 I N 1.692 122.260 120.570 -0.002 0.000 2.307 57 I HA 0.628 4.820 4.170 0.036 0.000 0.289 57 I C 0.850 176.960 176.117 -0.012 0.000 1.021 57 I CA -1.049 60.245 61.300 -0.009 0.000 1.224 57 I CB 0.635 38.631 38.000 -0.007 0.000 1.376 57 I HN 0.330 nan 8.210 nan 0.000 0.470 58 A N 7.246 130.050 122.820 -0.027 0.000 2.366 58 A HA 0.622 4.964 4.320 0.036 0.000 0.272 58 A C -0.167 177.411 177.584 -0.010 0.000 1.135 58 A CA -0.283 51.731 52.037 -0.039 0.000 0.804 58 A CB 0.514 19.455 19.000 -0.098 0.000 1.064 58 A HN 0.474 nan 8.150 nan 0.000 0.499 59 V N 2.135 122.055 119.914 0.010 0.000 2.588 59 V HA 0.662 4.804 4.120 0.036 0.000 0.304 59 V C 0.740 176.871 176.094 0.061 0.000 1.042 59 V CA -0.292 62.026 62.300 0.029 0.000 0.877 59 V CB 1.801 33.638 31.823 0.024 0.000 0.996 59 V HN 1.144 nan 8.190 nan 0.000 0.425 60 G N 4.456 113.288 108.800 0.053 0.000 2.348 60 G HA2 0.661 4.643 3.960 0.036 0.000 0.312 60 G HA3 0.661 4.643 3.960 0.036 0.000 0.312 60 G C -0.756 174.136 174.900 -0.013 0.000 1.126 60 G CA -0.412 44.714 45.100 0.042 0.000 0.865 60 G HN 0.452 nan 8.290 nan 0.000 0.474 61 I N 1.690 122.260 120.570 0.000 0.000 2.389 61 I HA 0.269 4.461 4.170 0.036 0.000 0.288 61 I C 0.483 176.580 176.117 -0.033 0.000 0.999 61 I CA -1.139 60.160 61.300 -0.001 0.000 1.129 61 I CB 1.519 39.538 38.000 0.031 0.000 1.288 61 I HN 0.529 nan 8.210 nan 0.000 0.444 62 K N 3.952 124.328 120.400 -0.041 0.000 2.511 62 K HA -0.134 4.208 4.320 0.036 0.000 0.280 62 K C 0.498 177.088 176.600 -0.017 0.000 1.008 62 K CA 0.275 56.532 56.287 -0.051 0.000 1.050 62 K CB 0.486 32.977 32.500 -0.016 0.000 0.889 62 K HN 0.440 nan 8.250 nan 0.000 0.484 63 D N 4.150 124.534 120.400 -0.027 0.000 2.396 63 D HA -0.032 4.629 4.640 0.036 0.000 0.255 63 D C 0.798 177.097 176.300 -0.002 0.000 1.224 63 D CA 0.421 54.419 54.000 -0.004 0.000 0.894 63 D CB -0.222 40.575 40.800 -0.006 0.000 0.939 63 D HN 0.581 nan 8.370 nan 0.000 0.506 64 I N -3.530 117.045 120.570 0.009 0.000 4.154 64 I HA 0.293 4.485 4.170 0.036 0.000 0.334 64 I C 0.157 176.302 176.117 0.046 0.000 1.371 64 I CA -0.293 61.016 61.300 0.015 0.000 1.110 64 I CB 0.321 38.343 38.000 0.036 0.000 1.085 64 I HN -0.227 nan 8.210 nan 0.000 0.398 65 I N 3.034 123.633 120.570 0.048 0.000 2.315 65 I HA 0.240 4.432 4.170 0.036 0.000 0.291 65 I C -0.454 175.698 176.117 0.059 0.000 1.006 65 I CA -0.462 60.872 61.300 0.056 0.000 1.265 65 I CB 0.684 38.714 38.000 0.050 0.000 1.387 65 I HN 0.004 nan 8.210 nan 0.000 0.475 66 D N 5.000 125.441 120.400 0.069 0.000 2.493 66 D HA 0.135 4.796 4.640 0.036 0.000 0.240 66 D C 0.152 176.474 176.300 0.036 0.000 1.142 66 D CA 0.581 54.621 54.000 0.065 0.000 0.872 66 D CB 0.832 41.678 40.800 0.076 0.000 1.173 66 D HN 0.564 nan 8.370 nan 0.000 0.467 67 T N -1.799 112.765 114.554 0.017 0.000 2.886 67 T HA 0.635 5.007 4.350 0.036 0.000 0.292 67 T C 0.683 175.367 174.700 -0.028 0.000 1.012 67 T CA -0.918 61.185 62.100 0.004 0.000 0.982 67 T CB 1.981 70.858 68.868 0.016 0.000 1.018 67 T HN 0.164 nan 8.240 nan 0.000 0.451 68 A N 2.315 125.119 122.820 -0.027 0.000 2.021 68 A HA 0.063 4.405 4.320 0.036 0.000 0.216 68 A C 1.971 179.524 177.584 -0.052 0.000 1.163 68 A CA 0.785 52.792 52.037 -0.050 0.000 0.676 68 A CB -0.457 18.523 19.000 -0.034 0.000 0.818 68 A HN 0.891 nan 8.150 nan 0.000 0.453 69 N N -1.070 117.612 118.700 -0.029 0.000 2.254 69 N HA 0.168 4.930 4.740 0.036 0.000 0.190 69 N C 0.033 175.532 175.510 -0.018 0.000 1.107 69 N CA 0.138 53.174 53.050 -0.023 0.000 0.869 69 N CB 0.123 38.606 38.487 -0.007 0.000 0.983 69 N HN 0.418 nan 8.380 nan 0.000 0.487 70 M N 0.089 119.679 119.600 -0.017 0.000 2.501 70 M HA 0.457 4.958 4.480 0.036 0.000 0.293 70 M C -2.829 173.461 176.300 -0.017 0.000 1.192 70 M CA -1.944 53.355 55.300 -0.002 0.000 0.886 70 M CB 2.980 35.599 32.600 0.031 0.000 1.710 70 M HN -0.315 nan 8.290 nan 0.000 0.457 71 P HA 0.100 nan 4.420 nan 0.000 0.271 71 P C -0.862 176.462 177.300 0.040 0.000 1.233 71 P CA 0.002 63.100 63.100 -0.003 0.000 0.789 71 P CB 0.476 32.199 31.700 0.037 0.000 0.951 72 T N 1.221 115.828 114.554 0.089 0.000 3.068 72 T HA 0.171 4.543 4.350 0.036 0.000 0.364 72 T C 0.283 175.125 174.700 0.237 0.000 1.161 72 T CA -0.308 61.876 62.100 0.140 0.000 1.155 72 T CB 0.143 69.104 68.868 0.155 0.000 1.060 72 T HN 0.335 nan 8.240 nan 0.000 0.513 73 E N 3.044 123.333 120.200 0.148 0.000 2.465 73 E HA 0.073 4.445 4.350 0.036 0.000 0.191 73 E C 0.759 177.359 176.600 0.002 0.000 1.053 73 E CA -0.176 56.318 56.400 0.155 0.000 0.869 73 E CB 0.004 29.777 29.700 0.123 0.000 0.977 73 E HN 0.482 nan 8.360 nan 0.000 0.483 74 M N -0.959 118.580 119.600 -0.101 0.000 2.797 74 M HA -0.248 4.254 4.480 0.036 0.000 0.171 74 M C 1.099 177.194 176.300 -0.342 0.000 0.647 74 M CA 1.372 56.505 55.300 -0.279 0.000 0.598 74 M CB -2.872 29.384 32.600 -0.573 0.000 2.180 74 M HN 0.467 nan 8.290 nan 0.000 0.429 75 G N 0.289 108.976 108.800 -0.187 0.000 2.179 75 G HA2 -0.246 3.736 3.960 0.036 0.000 0.257 75 G HA3 -0.246 3.736 3.960 0.036 0.000 0.257 75 G C 0.086 174.851 174.900 -0.226 0.000 1.010 75 G CA 1.020 46.021 45.100 -0.165 0.000 0.736 75 G HN 1.096 nan 8.290 nan 0.000 0.513 76 S N -1.350 114.195 115.700 -0.257 0.000 2.536 76 S HA 0.586 5.078 4.470 0.036 0.000 0.287 76 S C 1.099 175.699 174.600 0.000 0.000 1.101 76 S CA 0.195 58.271 58.200 -0.206 0.000 0.950 76 S CB 1.405 64.286 63.200 -0.532 0.000 1.056 76 S HN 0.283 nan 8.310 nan 0.000 0.481 77 E N 2.941 123.159 120.200 0.030 0.000 2.204 77 E HA -0.073 4.299 4.350 0.036 0.000 0.195 77 E C 1.373 178.009 176.600 0.060 0.000 0.990 77 E CA 1.091 57.520 56.400 0.049 0.000 0.821 77 E CB -0.171 29.551 29.700 0.038 0.000 0.750 77 E HN 0.706 nan 8.360 nan 0.000 0.477 78 I N 0.018 120.642 120.570 0.090 0.000 2.423 78 I HA -0.251 3.941 4.170 0.036 0.000 0.254 78 I C 0.989 177.033 176.117 -0.120 0.000 1.151 78 I CA 1.174 62.468 61.300 -0.009 0.000 1.421 78 I CB -0.007 38.068 38.000 0.125 0.000 1.079 78 I HN 0.135 nan 8.210 nan 0.000 0.431 79 Y N 0.243 120.569 120.300 0.043 0.000 2.681 79 Y HA 0.275 4.847 4.550 0.037 0.000 0.267 79 Y C 0.947 176.929 175.900 0.138 0.000 1.166 79 Y CA -0.643 57.505 58.100 0.080 0.000 1.209 79 Y CB -0.137 38.358 38.460 0.060 0.000 1.161 79 Y HN -0.020 nan 8.280 nan 0.000 0.534 80 R N 0.672 121.280 120.500 0.181 0.000 2.502 80 R HA 0.195 4.556 4.340 0.036 0.000 0.292 80 R C 1.283 177.686 176.300 0.171 0.000 0.998 80 R CA 1.397 57.584 56.100 0.146 0.000 1.056 80 R CB -0.112 30.241 30.300 0.088 0.000 0.939 80 R HN 0.671 nan 8.270 nan 0.000 0.411 81 G N 4.227 113.125 108.800 0.162 0.000 2.184 81 G HA2 -0.298 3.684 3.960 0.036 0.000 0.264 81 G HA3 -0.298 3.684 3.960 0.036 0.000 0.264 81 G C 0.101 175.115 174.900 0.190 0.000 0.975 81 G CA 0.244 45.428 45.100 0.140 0.000 0.642 81 G HN 0.816 nan 8.290 nan 0.000 0.536 82 W N 1.470 122.824 121.300 0.090 0.000 2.347 82 W HA 0.502 5.183 4.660 0.036 0.000 0.333 82 W C 0.027 176.598 176.519 0.086 0.000 1.383 82 W CA 0.321 57.732 57.345 0.110 0.000 1.283 82 W CB 0.641 30.245 29.460 0.239 0.000 1.253 82 W HN 0.213 nan 8.180 nan 0.000 0.563 83 Q N 8.284 127.576 119.800 -0.848 0.000 2.363 83 Q HA 0.394 4.755 4.340 0.036 0.000 0.265 83 Q C -2.464 172.913 176.000 -1.039 0.000 1.032 83 Q CA -2.198 53.163 55.803 -0.737 0.000 0.746 83 Q CB 1.397 29.909 28.738 -0.377 0.000 1.237 83 Q HN 0.144 nan 8.270 nan 0.000 0.475 84 P HA 0.145 nan 4.420 nan 0.000 0.269 84 P C -0.167 176.973 177.300 -0.266 0.000 1.209 84 P CA -0.239 62.605 63.100 -0.427 0.000 0.776 84 P CB 0.963 32.591 31.700 -0.120 0.000 0.876 85 R N 1.742 122.144 120.500 -0.162 0.000 2.115 85 R HA 0.006 4.368 4.340 0.036 0.000 0.226 85 R C 0.444 176.709 176.300 -0.058 0.000 1.100 85 R CA 1.327 57.366 56.100 -0.101 0.000 0.980 85 R CB -0.259 30.010 30.300 -0.052 0.000 0.875 85 R HN 0.625 nan 8.270 nan 0.000 0.445 86 S N -1.018 114.662 115.700 -0.033 0.000 2.671 86 S HA 0.457 4.949 4.470 0.036 0.000 0.299 86 S C -1.123 173.475 174.600 -0.003 0.000 1.116 86 S CA -1.178 57.014 58.200 -0.012 0.000 0.912 86 S CB 1.881 65.083 63.200 0.004 0.000 1.130 86 S HN 0.029 nan 8.310 nan 0.000 0.501 87 D N 1.261 121.664 120.400 0.003 0.000 2.256 87 D HA 0.531 5.193 4.640 0.036 0.000 0.250 87 D C 0.375 176.688 176.300 0.022 0.000 1.093 87 D CA 0.020 54.027 54.000 0.012 0.000 0.882 87 D CB 1.621 42.428 40.800 0.012 0.000 1.185 87 D HN 0.827 nan 8.370 nan 0.000 0.437 88 A N 3.675 126.513 122.820 0.030 0.000 2.466 88 A HA 0.201 4.542 4.320 0.036 0.000 0.238 88 A C -1.365 176.237 177.584 0.029 0.000 1.074 88 A CA -0.749 51.309 52.037 0.036 0.000 0.774 88 A CB 0.103 19.130 19.000 0.044 0.000 1.015 88 A HN 0.338 nan 8.150 nan 0.000 0.498 89 P HA -0.183 nan 4.420 nan 0.000 0.216 89 P C 1.538 178.852 177.300 0.023 0.000 1.150 89 P CA 2.116 65.230 63.100 0.023 0.000 0.843 89 P CB -0.218 31.495 31.700 0.022 0.000 0.787 90 V N -3.833 116.097 119.914 0.026 0.000 2.626 90 V HA -0.148 3.994 4.120 0.036 0.000 0.252 90 V C 2.058 178.166 176.094 0.023 0.000 1.067 90 V CA 1.609 63.923 62.300 0.024 0.000 1.081 90 V CB -1.671 30.169 31.823 0.029 0.000 0.686 90 V HN -0.051 nan 8.190 nan 0.000 0.468 91 V N -0.193 119.737 119.914 0.026 0.000 2.453 91 V HA -0.155 3.987 4.120 0.036 0.000 0.247 91 V C 2.729 178.835 176.094 0.020 0.000 1.048 91 V CA 2.185 64.500 62.300 0.025 0.000 1.049 91 V CB -0.497 31.342 31.823 0.026 0.000 0.672 91 V HN 0.395 nan 8.190 nan 0.000 0.457 92 M N -1.088 118.523 119.600 0.019 0.000 2.175 92 M HA -0.120 4.382 4.480 0.036 0.000 0.264 92 M C 2.176 178.485 176.300 0.016 0.000 1.063 92 M CA 1.750 57.060 55.300 0.016 0.000 1.119 92 M CB -0.974 31.636 32.600 0.016 0.000 1.377 92 M HN 0.325 nan 8.290 nan 0.000 0.415 93 M N -0.415 119.195 119.600 0.016 0.000 2.108 93 M HA -0.224 4.278 4.480 0.036 0.000 0.261 93 M C 2.124 178.432 176.300 0.013 0.000 1.066 93 M CA 1.487 56.797 55.300 0.015 0.000 1.107 93 M CB -0.536 32.073 32.600 0.015 0.000 1.356 93 M HN 0.212 nan 8.290 nan 0.000 0.406 94 L N -0.228 121.002 121.223 0.012 0.000 2.044 94 L HA -0.179 4.182 4.340 0.036 0.000 0.205 94 L C 2.500 179.377 176.870 0.012 0.000 1.075 94 L CA 1.244 56.090 54.840 0.010 0.000 0.747 94 L CB -0.610 41.457 42.059 0.013 0.000 0.903 94 L HN 0.239 nan 8.230 nan 0.000 0.435 95 K N 0.088 120.497 120.400 0.014 0.000 2.097 95 K HA -0.154 4.188 4.320 0.036 0.000 0.206 95 K C 2.197 178.804 176.600 0.013 0.000 1.049 95 K CA 1.189 57.484 56.287 0.014 0.000 0.933 95 K CB -0.192 32.316 32.500 0.015 0.000 0.717 95 K HN 0.280 nan 8.250 nan 0.000 0.442 96 R N 0.390 120.897 120.500 0.013 0.000 2.148 96 R HA -0.034 4.328 4.340 0.036 0.000 0.227 96 R C 2.011 178.319 176.300 0.013 0.000 1.103 96 R CA 0.969 57.077 56.100 0.013 0.000 0.983 96 R CB -0.128 30.180 30.300 0.014 0.000 0.874 96 R HN 0.153 nan 8.270 nan 0.000 0.451 97 A N -0.184 122.644 122.820 0.013 0.000 2.251 97 A HA 0.227 4.569 4.320 0.036 0.000 0.209 97 A C 1.370 178.961 177.584 0.011 0.000 1.187 97 A CA 0.796 52.840 52.037 0.012 0.000 0.823 97 A CB 0.116 19.122 19.000 0.010 0.000 0.846 97 A HN 0.428 nan 8.150 nan 0.000 0.486 98 G N -2.119 106.688 108.800 0.011 0.000 2.176 98 G HA2 0.122 4.104 3.960 0.036 0.000 0.232 98 G HA3 0.122 4.104 3.960 0.036 0.000 0.232 98 G C 0.472 175.379 174.900 0.011 0.000 0.986 98 G CA 0.212 45.319 45.100 0.011 0.000 0.643 98 G HN 1.492 nan 8.290 nan 0.000 0.522 99 A N -0.150 122.676 122.820 0.011 0.000 2.346 99 A HA 0.688 5.030 4.320 0.036 0.000 0.252 99 A C 0.627 178.219 177.584 0.014 0.000 1.089 99 A CA 1.167 53.210 52.037 0.010 0.000 0.797 99 A CB 0.424 19.429 19.000 0.008 0.000 1.047 99 A HN 0.784 nan 8.150 nan 0.000 0.494 100 T N 2.629 117.191 114.554 0.013 0.000 2.756 100 T HA 0.386 4.758 4.350 0.036 0.000 0.290 100 T C -0.058 174.655 174.700 0.021 0.000 0.985 100 T CA -0.201 61.910 62.100 0.019 0.000 0.955 100 T CB 0.380 69.258 68.868 0.016 0.000 0.930 100 T HN 0.367 nan 8.240 nan 0.000 0.451 101 I N 4.704 125.294 120.570 0.033 0.000 2.311 101 I HA 0.188 4.379 4.170 0.036 0.000 0.297 101 I C 1.309 177.462 176.117 0.060 0.000 1.131 101 I CA -0.113 61.214 61.300 0.045 0.000 1.289 101 I CB -0.130 37.897 38.000 0.045 0.000 1.446 101 I HN 0.749 nan 8.210 nan 0.000 0.524 102 I N 4.535 125.138 120.570 0.054 0.000 3.059 102 I HA 0.133 4.325 4.170 0.036 0.000 0.270 102 I C 0.934 177.122 176.117 0.117 0.000 1.238 102 I CA 0.476 61.802 61.300 0.043 0.000 1.478 102 I CB 0.403 38.340 38.000 -0.105 0.000 1.097 102 I HN 0.701 nan 8.210 nan 0.000 0.455 103 G N 0.202 109.119 108.800 0.195 0.000 2.313 103 G HA2 0.174 4.156 3.960 0.036 0.000 0.296 103 G HA3 0.174 4.156 3.960 0.036 0.000 0.296 103 G C -1.807 173.272 174.900 0.298 0.000 1.356 103 G CA -0.833 44.438 45.100 0.285 0.000 0.833 103 G HN -0.179 nan 8.290 nan 0.000 0.552 104 K N 1.495 122.059 120.400 0.273 0.000 2.213 104 K HA 0.588 4.930 4.320 0.036 0.000 0.270 104 K C 0.370 176.994 176.600 0.040 0.000 1.002 104 K CA -0.473 55.889 56.287 0.124 0.000 0.868 104 K CB 1.344 33.899 32.500 0.091 0.000 1.093 104 K HN 0.864 nan 8.250 nan 0.000 0.454 105 T N -1.352 113.102 114.554 -0.167 0.000 2.909 105 T HA 0.216 4.588 4.350 0.036 0.000 0.289 105 T C 0.592 175.173 174.700 -0.198 0.000 1.005 105 T CA -0.764 61.107 62.100 -0.381 0.000 1.084 105 T CB 0.578 69.130 68.868 -0.527 0.000 0.975 105 T HN 0.564 nan 8.240 nan 0.000 0.509 106 T N 0.134 114.578 114.554 -0.183 0.000 2.946 106 T HA 0.358 4.730 4.350 0.036 0.000 0.311 106 T C 0.216 174.857 174.700 -0.098 0.000 1.063 106 T CA -0.468 61.572 62.100 -0.099 0.000 1.139 106 T CB 0.461 69.288 68.868 -0.068 0.000 0.994 106 T HN 0.967 nan 8.240 nan 0.000 0.547 107 T N 1.520 116.034 114.554 -0.067 0.000 2.909 107 T HA 0.582 4.953 4.350 0.036 0.000 0.299 107 T C 0.211 174.882 174.700 -0.049 0.000 1.073 107 T CA -0.376 61.690 62.100 -0.056 0.000 0.999 107 T CB 1.374 70.213 68.868 -0.048 0.000 1.098 107 T HN 1.123 nan 8.240 nan 0.000 0.477 108 T N 1.822 116.359 114.554 -0.027 0.000 2.802 108 T HA 0.545 4.917 4.350 0.036 0.000 0.305 108 T C 0.799 175.474 174.700 -0.041 0.000 1.053 108 T CA -0.349 61.742 62.100 -0.016 0.000 1.058 108 T CB 0.144 69.020 68.868 0.014 0.000 0.988 108 T HN 1.013 nan 8.240 nan 0.000 0.539 109 A N 1.645 124.435 122.820 -0.050 0.000 2.537 109 A HA 0.397 4.739 4.320 0.036 0.000 0.260 109 A C 0.529 178.105 177.584 -0.014 0.000 1.082 109 A CA -0.461 51.476 52.037 -0.166 0.000 0.765 109 A CB -1.511 17.450 19.000 -0.066 0.000 1.019 109 A HN 1.064 nan 8.150 nan 0.000 0.507 110 F N 0.437 120.432 119.950 0.075 0.000 3.100 110 F HA -0.268 4.281 4.527 0.036 0.000 0.283 110 F C 1.383 177.294 175.800 0.185 0.000 0.900 110 F CA 1.293 59.360 58.000 0.112 0.000 1.010 110 F CB -2.029 37.047 39.000 0.128 0.000 1.029 110 F HN 1.793 nan 8.300 nan 0.000 0.637 111 A N -1.119 121.806 122.820 0.175 0.000 2.822 111 A HA -0.148 4.194 4.320 0.036 0.000 0.287 111 A C 0.985 178.582 177.584 0.021 0.000 1.479 111 A CA 1.241 53.334 52.037 0.093 0.000 0.779 111 A CB -1.645 17.413 19.000 0.097 0.000 1.022 111 A HN 0.805 nan 8.150 nan 0.000 0.532 112 S N -1.678 114.081 115.700 0.098 0.000 2.638 112 S HA 0.597 5.089 4.470 0.036 0.000 0.256 112 S C 1.527 176.145 174.600 0.031 0.000 1.089 112 S CA -0.025 58.203 58.200 0.046 0.000 1.020 112 S CB 0.513 63.862 63.200 0.248 0.000 1.252 112 S HN 0.529 nan 8.310 nan 0.000 0.542 113 R N 0.722 121.253 120.500 0.052 0.000 2.236 113 R HA 0.126 4.488 4.340 0.036 0.000 0.208 113 R C -0.390 175.940 176.300 0.050 0.000 1.036 113 R CA 0.442 56.569 56.100 0.045 0.000 1.001 113 R CB -0.310 30.019 30.300 0.047 0.000 0.896 113 R HN 0.554 nan 8.270 nan 0.000 0.464 114 D N 3.101 123.536 120.400 0.059 0.000 2.363 114 D HA 0.079 4.741 4.640 0.036 0.000 0.263 114 D C -2.272 174.047 176.300 0.032 0.000 1.258 114 D CA -0.943 53.085 54.000 0.047 0.000 0.907 114 D CB 0.993 41.825 40.800 0.053 0.000 1.107 114 D HN -0.050 nan 8.370 nan 0.000 0.495 115 P HA -0.052 nan 4.420 nan 0.000 0.265 115 P C 0.395 177.703 177.300 0.013 0.000 1.187 115 P CA 0.109 63.224 63.100 0.025 0.000 0.766 115 P CB 0.618 32.334 31.700 0.025 0.000 0.820 116 T N -0.747 113.812 114.554 0.010 0.000 2.867 116 T HA 0.533 4.905 4.350 0.036 0.000 0.286 116 T C 1.128 175.829 174.700 0.001 0.000 1.022 116 T CA -0.131 61.968 62.100 -0.001 0.000 0.933 116 T CB 0.622 69.486 68.868 -0.006 0.000 1.280 116 T HN 0.222 nan 8.240 nan 0.000 0.566 117 A N -0.097 122.718 122.820 -0.008 0.000 2.178 117 A HA 0.306 4.648 4.320 0.036 0.000 0.211 117 A C 1.281 178.888 177.584 0.037 0.000 1.157 117 A CA -0.076 51.947 52.037 -0.024 0.000 0.780 117 A CB -1.016 17.924 19.000 -0.099 0.000 0.828 117 A HN 0.835 nan 8.150 nan 0.000 0.476 118 T N 1.174 115.764 114.554 0.060 0.000 2.946 118 T HA 0.368 4.740 4.350 0.036 0.000 0.311 118 T C -0.072 174.685 174.700 0.095 0.000 1.063 118 T CA 0.694 62.851 62.100 0.096 0.000 1.139 118 T CB 0.302 69.188 68.868 0.030 0.000 0.994 118 T HN 0.251 nan 8.240 nan 0.000 0.547 119 L N 2.430 123.718 121.223 0.109 0.000 2.323 119 L HA 0.474 4.835 4.340 0.036 0.000 0.265 119 L C 0.628 177.537 176.870 0.065 0.000 1.012 119 L CA -1.243 53.651 54.840 0.091 0.000 0.820 119 L CB 1.277 43.401 42.059 0.107 0.000 1.334 119 L HN 0.517 nan 8.230 nan 0.000 0.427 120 N N 1.804 120.556 118.700 0.087 0.000 2.468 120 N HA 0.082 4.844 4.740 0.036 0.000 0.265 120 N C -1.974 173.569 175.510 0.055 0.000 1.199 120 N CA -1.163 51.945 53.050 0.097 0.000 0.928 120 N CB 1.753 40.322 38.487 0.135 0.000 1.059 120 N HN 0.298 nan 8.380 nan 0.000 0.467 121 P HA -0.096 nan 4.420 nan 0.000 0.218 121 P C 0.739 177.934 177.300 -0.174 0.000 1.149 121 P CA 1.268 64.298 63.100 -0.116 0.000 0.817 121 P CB 0.138 31.718 31.700 -0.199 0.000 0.785 122 H N -2.614 116.451 119.070 -0.008 0.000 2.502 122 H HA 0.130 4.708 4.556 0.037 0.000 0.283 122 H C 0.528 175.836 175.328 -0.032 0.000 1.015 122 H CA 0.896 56.929 56.048 -0.024 0.000 1.298 122 H CB 0.151 29.890 29.762 -0.038 0.000 1.411 122 H HN 0.136 nan 8.280 nan 0.000 0.556 123 N N -0.052 118.701 118.700 0.088 0.000 2.812 123 N HA -0.026 4.736 4.740 0.036 0.000 0.262 123 N C 0.133 175.715 175.510 0.121 0.000 1.241 123 N CA 0.003 53.099 53.050 0.077 0.000 0.854 123 N CB 1.068 39.562 38.487 0.012 0.000 1.506 123 N HN -0.179 nan 8.380 nan 0.000 0.576 124 T N 0.821 115.425 114.554 0.084 0.000 2.918 124 T HA -0.071 4.301 4.350 0.036 0.000 0.271 124 T C 1.449 176.204 174.700 0.090 0.000 1.104 124 T CA 1.677 63.823 62.100 0.076 0.000 1.114 124 T CB -0.016 68.882 68.868 0.049 0.000 0.855 124 T HN 0.598 nan 8.240 nan 0.000 0.518 125 G N -0.272 108.603 108.800 0.126 0.000 3.042 125 G HA2 0.087 4.069 3.960 0.036 0.000 0.212 125 G HA3 0.087 4.069 3.960 0.036 0.000 0.212 125 G C 0.251 175.112 174.900 -0.066 0.000 1.166 125 G CA -0.221 44.910 45.100 0.051 0.000 0.767 125 G HN 0.468 nan 8.290 nan 0.000 0.546 126 H N -0.472 118.597 119.070 -0.002 0.000 2.731 126 H HA 0.402 4.979 4.556 0.037 0.000 0.368 126 H C -0.592 174.731 175.328 -0.008 0.000 1.168 126 H CA -0.597 55.437 56.048 -0.023 0.000 1.181 126 H CB 2.112 31.844 29.762 -0.049 0.000 1.743 126 H HN 0.107 nan 8.280 nan 0.000 0.547 127 S N 1.888 117.633 115.700 0.075 0.000 2.580 127 S HA 0.084 4.576 4.470 0.036 0.000 0.274 127 S C -1.633 173.040 174.600 0.122 0.000 1.329 127 S CA -1.186 57.060 58.200 0.077 0.000 1.036 127 S CB 0.685 63.924 63.200 0.066 0.000 0.919 127 S HN 0.535 nan 8.310 nan 0.000 0.515 128 P HA 0.265 nan 4.420 nan 0.000 0.255 128 P C 0.719 178.191 177.300 0.287 0.000 1.248 128 P CA 0.509 63.718 63.100 0.182 0.000 0.807 128 P CB -0.486 31.268 31.700 0.091 0.000 1.150 129 G N -0.862 108.150 108.800 0.353 0.000 2.728 129 G HA2 0.224 4.206 3.960 0.036 0.000 0.294 129 G HA3 0.224 4.206 3.960 0.036 0.000 0.294 129 G C -0.418 174.563 174.900 0.135 0.000 1.342 129 G CA -0.669 44.641 45.100 0.351 0.000 0.866 129 G HN 0.565 nan 8.290 nan 0.000 0.534 130 G N -2.340 106.503 108.800 0.073 0.000 2.645 130 G HA2 0.776 4.758 3.960 0.036 0.000 0.292 130 G HA3 0.776 4.758 3.960 0.036 0.000 0.292 130 G C 0.849 175.764 174.900 0.024 0.000 1.415 130 G CA 0.829 45.953 45.100 0.039 0.000 0.785 130 G HN 2.066 nan 8.290 nan 0.000 0.483 131 S N -1.187 114.524 115.700 0.018 0.000 2.527 131 S HA 0.059 4.551 4.470 0.036 0.000 0.222 131 S C 1.245 175.846 174.600 0.001 0.000 0.985 131 S CA 0.855 59.061 58.200 0.010 0.000 0.921 131 S CB 0.160 63.360 63.200 0.001 0.000 0.772 131 S HN 0.402 nan 8.310 nan 0.000 0.529 132 S N 2.675 118.386 115.700 0.019 0.000 3.456 132 S HA 0.246 4.738 4.470 0.036 0.000 0.229 132 S C 1.183 175.683 174.600 -0.167 0.000 1.416 132 S CA -0.222 57.947 58.200 -0.050 0.000 1.197 132 S CB -0.446 62.796 63.200 0.070 0.000 1.201 132 S HN 0.516 nan 8.310 nan 0.000 0.479 133 S N 2.302 117.940 115.700 -0.104 0.000 2.359 133 S HA -0.150 4.341 4.470 0.036 0.000 0.223 133 S C 2.332 176.823 174.600 -0.183 0.000 1.039 133 S CA 1.550 59.691 58.200 -0.098 0.000 1.042 133 S CB -0.711 62.464 63.200 -0.042 0.000 0.915 133 S HN 0.743 nan 8.310 nan 0.000 0.439 134 G N 0.888 109.554 108.800 -0.223 0.000 2.408 134 G HA2 -0.140 3.842 3.960 0.036 0.000 0.217 134 G HA3 -0.140 3.842 3.960 0.036 0.000 0.217 134 G C 1.564 176.197 174.900 -0.445 0.000 1.150 134 G CA 1.066 45.977 45.100 -0.315 0.000 0.776 134 G HN 0.519 nan 8.290 nan 0.000 0.542 135 S N 1.011 116.399 115.700 -0.519 0.000 2.355 135 S HA 0.016 4.508 4.470 0.036 0.000 0.222 135 S C 2.794 176.920 174.600 -0.790 0.000 1.031 135 S CA 1.173 58.966 58.200 -0.679 0.000 0.993 135 S CB -0.354 62.343 63.200 -0.837 0.000 0.859 135 S HN 0.565 nan 8.310 nan 0.000 0.453 136 A N 1.598 123.881 122.820 -0.895 0.000 1.898 136 A HA 0.172 4.514 4.320 0.036 0.000 0.216 136 A C 2.349 179.819 177.584 -0.191 0.000 1.181 136 A CA 1.647 53.392 52.037 -0.487 0.000 0.620 136 A CB -1.119 17.758 19.000 -0.206 0.000 0.819 136 A HN 0.497 nan 8.150 nan 0.000 0.442 137 A N 0.016 122.725 122.820 -0.185 0.000 1.858 137 A HA 0.146 4.488 4.320 0.036 0.000 0.216 137 A C 2.553 180.066 177.584 -0.118 0.000 1.190 137 A CA 2.283 54.258 52.037 -0.104 0.000 0.617 137 A CB -1.216 17.729 19.000 -0.092 0.000 0.827 137 A HN 1.108 nan 8.150 nan 0.000 0.443 138 A N -0.688 122.018 122.820 -0.190 0.000 1.908 138 A HA -0.065 4.277 4.320 0.036 0.000 0.218 138 A C 2.245 179.785 177.584 -0.073 0.000 1.181 138 A CA 2.036 53.993 52.037 -0.133 0.000 0.627 138 A CB -0.991 17.838 19.000 -0.284 0.000 0.818 138 A HN 0.442 nan 8.150 nan 0.000 0.445 139 V N -0.344 119.514 119.914 -0.094 0.000 2.453 139 V HA -0.120 4.022 4.120 0.036 0.000 0.247 139 V C 2.753 178.842 176.094 -0.009 0.000 1.048 139 V CA 1.795 64.077 62.300 -0.030 0.000 1.049 139 V CB -1.231 30.599 31.823 0.012 0.000 0.672 139 V HN 0.626 nan 8.190 nan 0.000 0.457 140 G N -0.405 108.389 108.800 -0.010 0.000 2.443 140 G HA2 -0.099 3.883 3.960 0.036 0.000 0.219 140 G HA3 -0.099 3.883 3.960 0.036 0.000 0.219 140 G C 1.420 176.271 174.900 -0.082 0.000 1.131 140 G CA 0.775 45.880 45.100 0.008 0.000 0.775 140 G HN 0.612 nan 8.290 nan 0.000 0.547 141 A N -0.055 122.716 122.820 -0.083 0.000 2.278 141 A HA 0.487 4.829 4.320 0.036 0.000 0.212 141 A C 1.906 179.452 177.584 -0.064 0.000 1.213 141 A CA 1.068 53.047 52.037 -0.097 0.000 0.840 141 A CB -0.580 18.374 19.000 -0.076 0.000 0.866 141 A HN 1.491 nan 8.150 nan 0.000 0.489 142 G N -0.752 108.021 108.800 -0.045 0.000 2.225 142 G HA2 -0.344 3.637 3.960 0.036 0.000 0.267 142 G HA3 -0.344 3.637 3.960 0.036 0.000 0.267 142 G C 0.750 175.636 174.900 -0.024 0.000 1.024 142 G CA 0.847 45.929 45.100 -0.031 0.000 0.784 142 G HN 0.436 nan 8.290 nan 0.000 0.507 143 M N -0.755 118.837 119.600 -0.012 0.000 2.287 143 M HA 0.276 4.778 4.480 0.036 0.000 0.266 143 M C 1.450 177.745 176.300 -0.008 0.000 1.079 143 M CA 1.546 56.846 55.300 -0.001 0.000 1.146 143 M CB 0.062 32.705 32.600 0.073 0.000 1.374 143 M HN 0.577 nan 8.290 nan 0.000 0.435 144 I N -4.038 116.537 120.570 0.008 0.000 2.894 144 I HA 0.373 4.564 4.170 0.036 0.000 0.302 144 I C -2.423 173.692 176.117 -0.004 0.000 1.188 144 I CA -2.102 59.199 61.300 0.001 0.000 1.014 144 I CB 1.892 39.917 38.000 0.041 0.000 1.242 144 I HN -0.227 nan 8.210 nan 0.000 0.430 145 P HA 0.160 nan 4.420 nan 0.000 0.240 145 P C -0.215 177.084 177.300 -0.001 0.000 1.190 145 P CA 0.525 63.619 63.100 -0.010 0.000 0.781 145 P CB 0.828 32.517 31.700 -0.017 0.000 0.931 146 L N -0.770 120.458 121.223 0.009 0.000 2.506 146 L HA 0.756 5.118 4.340 0.036 0.000 0.257 146 L C -1.998 174.893 176.870 0.035 0.000 0.964 146 L CA -0.913 53.942 54.840 0.025 0.000 0.836 146 L CB 2.177 44.241 42.059 0.008 0.000 1.384 146 L HN -0.093 nan 8.230 nan 0.000 0.410 147 A N 3.928 126.795 122.820 0.078 0.000 2.574 147 A HA 0.778 5.120 4.320 0.036 0.000 0.297 147 A C -2.016 175.669 177.584 0.170 0.000 1.062 147 A CA -0.523 51.549 52.037 0.059 0.000 0.686 147 A CB 1.363 20.323 19.000 -0.066 0.000 1.285 147 A HN 0.651 nan 8.150 nan 0.000 0.403 148 L N 1.492 122.779 121.223 0.107 0.000 2.334 148 L HA 0.803 5.165 4.340 0.036 0.000 0.275 148 L C 0.791 177.766 176.870 0.175 0.000 1.036 148 L CA -0.333 54.596 54.840 0.148 0.000 0.807 148 L CB 1.968 44.073 42.059 0.077 0.000 1.231 148 L HN 0.989 nan 8.230 nan 0.000 0.438 149 G N 0.417 109.381 108.800 0.273 0.000 2.870 149 G HA2 0.730 4.712 3.960 0.036 0.000 0.299 149 G HA3 0.730 4.712 3.960 0.036 0.000 0.299 149 G C -1.176 173.839 174.900 0.192 0.000 1.324 149 G CA -0.164 45.103 45.100 0.278 0.000 0.808 149 G HN 0.557 nan 8.290 nan 0.000 0.535 150 T N -2.886 111.771 114.554 0.172 0.000 2.868 150 T HA 0.707 5.079 4.350 0.036 0.000 0.306 150 T C -1.113 173.658 174.700 0.119 0.000 1.224 150 T CA -0.648 61.530 62.100 0.130 0.000 1.012 150 T CB 2.240 71.179 68.868 0.118 0.000 1.221 150 T HN 0.748 nan 8.240 nan 0.000 0.499 151 Q N 0.150 120.017 119.800 0.111 0.000 2.285 151 Q HA 0.600 4.962 4.340 0.036 0.000 0.269 151 Q C -0.530 175.534 176.000 0.107 0.000 1.030 151 Q CA -0.637 55.223 55.803 0.095 0.000 0.788 151 Q CB 2.077 30.869 28.738 0.091 0.000 1.266 151 Q HN 0.850 nan 8.270 nan 0.000 0.438 152 T N 1.458 116.050 114.554 0.063 0.000 3.098 152 T HA 0.248 4.620 4.350 0.036 0.000 0.246 152 T C 0.724 175.503 174.700 0.133 0.000 0.983 152 T CA 0.707 62.847 62.100 0.067 0.000 1.094 152 T CB 0.404 69.237 68.868 -0.059 0.000 1.035 152 T HN 0.665 nan 8.240 nan 0.000 0.456 153 G N 0.596 109.420 108.800 0.041 0.000 2.687 153 G HA2 0.588 4.570 3.960 0.036 0.000 0.222 153 G HA3 0.588 4.570 3.960 0.036 0.000 0.222 153 G C 0.432 175.318 174.900 -0.023 0.000 1.445 153 G CA 0.503 45.585 45.100 -0.031 0.000 0.836 153 G HN 0.675 nan 8.290 nan 0.000 0.598 157 I N 1.391 121.934 120.570 -0.045 0.000 2.163 157 I HA -0.207 3.985 4.170 0.036 0.000 0.243 157 I C 2.465 178.555 176.117 -0.045 0.000 1.085 157 I CA 2.439 63.712 61.300 -0.046 0.000 1.347 157 I CB -1.071 36.930 38.000 0.002 0.000 1.044 157 I HN 0.409 nan 8.210 nan 0.000 0.408 158 R N 1.351 121.805 120.500 -0.077 0.000 2.070 158 R HA -0.123 4.239 4.340 0.036 0.000 0.232 158 R C -0.428 175.656 176.300 -0.360 0.000 1.138 158 R CA 1.973 57.913 56.100 -0.267 0.000 0.936 158 R CB -1.150 28.971 30.300 -0.298 0.000 0.839 158 R HN 0.234 nan 8.270 nan 0.000 0.429 159 P HA -0.102 nan 4.420 nan 0.000 0.220 159 P C 0.791 178.186 177.300 0.158 0.000 1.148 159 P CA 1.797 64.912 63.100 0.025 0.000 0.803 159 P CB -0.018 31.742 31.700 0.099 0.000 0.782 160 A N 0.848 123.806 122.820 0.230 0.000 1.877 160 A HA -0.052 4.290 4.320 0.036 0.000 0.216 160 A C 2.533 180.194 177.584 0.129 0.000 1.186 160 A CA 2.190 54.374 52.037 0.244 0.000 0.620 160 A CB -1.544 17.526 19.000 0.116 0.000 0.822 160 A HN 0.228 nan 8.150 nan 0.000 0.443 161 A N -1.239 121.616 122.820 0.057 0.000 1.877 161 A HA -0.135 4.207 4.320 0.036 0.000 0.216 161 A C 2.153 179.840 177.584 0.172 0.000 1.186 161 A CA 1.459 53.536 52.037 0.067 0.000 0.620 161 A CB -0.969 18.046 19.000 0.025 0.000 0.822 161 A HN 0.677 nan 8.150 nan 0.000 0.443 162 Y N -1.125 119.201 120.300 0.045 0.000 2.207 162 Y HA -0.284 4.288 4.550 0.037 0.000 0.287 162 Y C 2.344 178.261 175.900 0.028 0.000 1.156 162 Y CA 0.785 58.903 58.100 0.030 0.000 1.182 162 Y CB -0.210 38.286 38.460 0.061 0.000 0.979 162 Y HN 0.374 nan 8.280 nan 0.000 0.521 163 C N -0.322 119.127 119.300 0.248 0.000 2.791 163 C HA 0.300 4.782 4.460 0.036 0.000 0.270 163 C C 1.653 176.792 174.990 0.248 0.000 1.257 163 C CA 0.543 59.716 59.018 0.258 0.000 1.699 163 C CB -0.751 27.110 27.740 0.202 0.000 1.904 163 C HN 0.792 nan 8.230 nan 0.000 0.603 164 G N 2.488 111.344 108.800 0.093 0.000 2.249 164 G HA2 -0.216 3.766 3.960 0.036 0.000 0.273 164 G HA3 -0.216 3.766 3.960 0.036 0.000 0.273 164 G C 0.135 175.102 174.900 0.111 0.000 1.036 164 G CA 0.804 45.934 45.100 0.049 0.000 0.824 164 G HN 0.689 nan 8.290 nan 0.000 0.504 165 T N -2.831 111.797 114.554 0.123 0.000 2.950 165 T HA 0.881 5.253 4.350 0.036 0.000 0.288 165 T C 0.456 175.193 174.700 0.062 0.000 1.035 165 T CA 0.329 62.494 62.100 0.109 0.000 1.028 165 T CB 2.270 71.242 68.868 0.173 0.000 1.109 165 T HN 1.694 nan 8.240 nan 0.000 0.514 166 A N 0.837 123.669 122.820 0.021 0.000 2.304 166 A HA 0.879 5.221 4.320 0.036 0.000 0.271 166 A C 0.329 177.869 177.584 -0.073 0.000 1.091 166 A CA -0.260 51.755 52.037 -0.036 0.000 0.812 166 A CB -0.122 18.838 19.000 -0.067 0.000 1.056 166 A HN 1.911 nan 8.150 nan 0.000 0.489 167 A N 0.271 122.999 122.820 -0.153 0.000 2.597 167 A HA 0.640 4.981 4.320 0.036 0.000 0.292 167 A C -1.210 176.219 177.584 -0.258 0.000 1.057 167 A CA -0.156 51.691 52.037 -0.317 0.000 0.674 167 A CB 0.584 19.234 19.000 -0.584 0.000 1.278 167 A HN 1.775 nan 8.150 nan 0.000 0.416 168 I N 0.488 120.886 120.570 -0.286 0.000 2.656 168 I HA 0.561 4.753 4.170 0.036 0.000 0.292 168 I C -0.906 175.111 176.117 -0.166 0.000 1.144 168 I CA -0.548 60.642 61.300 -0.183 0.000 1.038 168 I CB 1.814 39.732 38.000 -0.136 0.000 1.244 168 I HN 0.672 nan 8.210 nan 0.000 0.420 169 K N 8.877 129.224 120.400 -0.089 0.000 2.347 169 K HA 0.539 4.880 4.320 0.036 0.000 0.262 169 K C -2.670 173.941 176.600 0.019 0.000 1.052 169 K CA -1.747 54.525 56.287 -0.024 0.000 0.946 169 K CB 1.235 33.753 32.500 0.030 0.000 1.220 169 K HN 0.285 nan 8.250 nan 0.000 0.450 170 P HA -0.015 nan 4.420 nan 0.000 0.272 170 P C -0.620 176.720 177.300 0.067 0.000 1.248 170 P CA -0.244 62.874 63.100 0.031 0.000 0.799 170 P CB 0.495 32.209 31.700 0.023 0.000 0.997 171 S N -0.154 115.546 115.700 -0.000 0.000 2.558 171 S HA 0.040 4.532 4.470 0.036 0.000 0.288 171 S C 0.146 174.855 174.600 0.182 0.000 1.318 171 S CA -0.165 58.007 58.200 -0.046 0.000 1.056 171 S CB -0.525 62.330 63.200 -0.576 0.000 0.853 171 S HN 0.283 nan 8.310 nan 0.000 0.505 172 F N 3.436 123.553 119.950 0.278 0.000 2.635 172 F HA 0.011 4.558 4.527 0.034 0.000 0.379 172 F C 1.495 177.451 175.800 0.260 0.000 1.094 172 F CA 0.335 58.508 58.000 0.289 0.000 1.300 172 F CB -0.160 39.044 39.000 0.341 0.000 1.035 172 F HN 0.773 nan 8.300 nan 0.000 0.581 173 R N 2.609 122.838 120.500 -0.451 0.000 3.994 173 R HA -0.304 4.058 4.340 0.036 0.000 0.403 173 R C 1.554 177.789 176.300 -0.109 0.000 1.126 173 R CA 1.222 57.082 56.100 -0.399 0.000 1.143 173 R CB -1.856 28.157 30.300 -0.479 0.000 1.695 173 R HN 0.805 nan 8.270 nan 0.000 0.555 174 M N 0.643 120.227 119.600 -0.027 0.000 2.099 174 M HA -0.050 4.452 4.480 0.036 0.000 0.262 174 M C 0.425 176.731 176.300 0.009 0.000 1.067 174 M CA 1.710 57.013 55.300 0.006 0.000 1.124 174 M CB 0.242 32.857 32.600 0.026 0.000 1.353 174 M HN 0.166 nan 8.290 nan 0.000 0.410 175 L N 2.292 123.518 121.223 0.006 0.000 2.289 175 L HA 0.350 4.712 4.340 0.036 0.000 0.285 175 L C -1.999 174.868 176.870 -0.004 0.000 1.049 175 L CA -2.140 52.706 54.840 0.010 0.000 0.804 175 L CB 0.876 42.945 42.059 0.016 0.000 1.195 175 L HN 0.114 nan 8.230 nan 0.000 0.428 176 P HA 0.038 nan 4.420 nan 0.000 0.268 176 P C 0.212 177.523 177.300 0.018 0.000 1.205 176 P CA -0.211 62.889 63.100 -0.001 0.000 0.771 176 P CB 0.860 32.564 31.700 0.008 0.000 0.858 177 T N -1.944 112.624 114.554 0.024 0.000 3.145 177 T HA 0.149 4.521 4.350 0.036 0.000 0.255 177 T C 0.686 175.423 174.700 0.060 0.000 1.039 177 T CA -0.351 61.783 62.100 0.058 0.000 0.928 177 T CB -0.471 68.450 68.868 0.089 0.000 1.029 177 T HN 0.088 nan 8.240 nan 0.000 0.554 178 V N 2.133 122.072 119.914 0.042 0.000 2.599 178 V HA 0.429 4.571 4.120 0.036 0.000 0.300 178 V C 1.671 177.795 176.094 0.051 0.000 1.034 178 V CA 1.185 63.510 62.300 0.041 0.000 1.115 178 V CB -0.066 31.774 31.823 0.029 0.000 0.934 178 V HN 0.857 nan 8.190 nan 0.000 0.485 179 G N 3.723 112.558 108.800 0.059 0.000 2.143 179 G HA2 -0.188 3.794 3.960 0.036 0.000 0.248 179 G HA3 -0.188 3.794 3.960 0.036 0.000 0.248 179 G C -0.122 174.824 174.900 0.076 0.000 0.991 179 G CA 0.088 45.230 45.100 0.070 0.000 0.689 179 G HN 0.862 nan 8.290 nan 0.000 0.522 180 V N 0.376 120.338 119.914 0.080 0.000 2.407 180 V HA 0.485 4.627 4.120 0.036 0.000 0.291 180 V C 0.595 176.750 176.094 0.101 0.000 1.018 180 V CA -1.309 61.044 62.300 0.089 0.000 0.842 180 V CB 1.679 33.559 31.823 0.094 0.000 0.996 180 V HN 0.357 nan 8.190 nan 0.000 0.426 181 K N 3.696 124.151 120.400 0.093 0.000 2.440 181 K HA -0.022 4.320 4.320 0.036 0.000 0.275 181 K C -0.196 176.496 176.600 0.153 0.000 1.082 181 K CA 0.416 56.763 56.287 0.101 0.000 1.135 181 K CB -0.295 32.257 32.500 0.086 0.000 0.864 181 K HN 0.813 nan 8.250 nan 0.000 0.479 182 C N 5.975 125.368 119.300 0.154 0.000 2.527 182 C HA 0.319 4.801 4.460 0.036 0.000 0.396 182 C C 0.966 176.079 174.990 0.205 0.000 1.289 182 C CA -0.536 58.605 59.018 0.206 0.000 2.047 182 C CB -0.577 27.301 27.740 0.229 0.000 2.568 182 C HN 0.948 nan 8.230 nan 0.000 0.573 183 Y N 2.919 123.288 120.300 0.116 0.000 2.569 183 Y HA 0.322 4.894 4.550 0.037 0.000 0.278 183 Y C 1.198 177.102 175.900 0.007 0.000 1.130 183 Y CA 1.006 59.139 58.100 0.054 0.000 1.280 183 Y CB 0.010 38.503 38.460 0.055 0.000 1.379 183 Y HN 0.633 nan 8.280 nan 0.000 0.508 184 S N 0.222 116.076 115.700 0.256 0.000 2.776 184 S HA 0.177 4.669 4.470 0.036 0.000 0.284 184 S C -0.212 174.436 174.600 0.080 0.000 1.160 184 S CA -0.586 57.612 58.200 -0.003 0.000 1.051 184 S CB -0.359 62.823 63.200 -0.029 0.000 1.037 184 S HN 0.447 nan 8.310 nan 0.000 0.485 185 W N 4.249 125.646 121.300 0.160 0.000 2.525 185 W HA 0.213 4.894 4.660 0.036 0.000 0.259 185 W C 1.336 178.037 176.519 0.302 0.000 1.253 185 W CA 0.726 58.194 57.345 0.206 0.000 1.262 185 W CB -0.549 29.006 29.460 0.158 0.000 1.122 185 W HN 0.678 nan 8.180 nan 0.000 0.607 186 A N 0.315 123.103 122.820 -0.053 0.000 2.169 186 A HA 0.213 4.555 4.320 0.036 0.000 0.212 186 A C 1.871 179.329 177.584 -0.210 0.000 1.153 186 A CA 1.016 53.042 52.037 -0.017 0.000 0.756 186 A CB -0.312 18.563 19.000 -0.209 0.000 0.813 186 A HN 0.459 nan 8.150 nan 0.000 0.471 187 L N -1.595 119.601 121.223 -0.046 0.000 2.600 187 L HA 0.175 4.536 4.340 0.036 0.000 0.213 187 L C -0.405 176.602 176.870 0.228 0.000 1.045 187 L CA -0.363 54.444 54.840 -0.054 0.000 0.863 187 L CB -0.282 41.735 42.059 -0.071 0.000 1.189 187 L HN -0.012 nan 8.230 nan 0.000 0.484 188 D N 2.227 122.800 120.400 0.288 0.000 2.662 188 D HA 0.066 4.728 4.640 0.036 0.000 0.233 188 D C -0.194 176.324 176.300 0.364 0.000 1.129 188 D CA 1.049 55.225 54.000 0.293 0.000 0.851 188 D CB 0.468 41.434 40.800 0.276 0.000 1.152 188 D HN 0.052 nan 8.370 nan 0.000 0.507 189 T N 1.428 116.146 114.554 0.274 0.000 2.971 189 T HA 0.332 4.704 4.350 0.036 0.000 0.304 189 T C -0.002 174.789 174.700 0.152 0.000 1.038 189 T CA -0.748 61.502 62.100 0.248 0.000 1.007 189 T CB 1.569 70.626 68.868 0.314 0.000 1.055 189 T HN -0.019 nan 8.240 nan 0.000 0.451 190 V N 2.452 122.432 119.914 0.109 0.000 2.775 190 V HA 0.700 4.842 4.120 0.036 0.000 0.299 190 V C 0.943 177.066 176.094 0.049 0.000 1.062 190 V CA -0.012 62.336 62.300 0.080 0.000 1.063 190 V CB 1.217 33.076 31.823 0.059 0.000 0.994 190 V HN 1.088 nan 8.190 nan 0.000 0.483 191 G N 3.166 111.988 108.800 0.036 0.000 2.680 191 G HA2 0.727 4.709 3.960 0.036 0.000 0.290 191 G HA3 0.727 4.709 3.960 0.036 0.000 0.290 191 G C -1.887 172.978 174.900 -0.058 0.000 1.355 191 G CA -0.708 44.361 45.100 -0.052 0.000 0.903 191 G HN 0.444 nan 8.290 nan 0.000 0.474 192 L N -0.463 120.651 121.223 -0.181 0.000 2.354 192 L HA 0.696 5.058 4.340 0.036 0.000 0.269 192 L C -1.118 175.590 176.870 -0.271 0.000 1.005 192 L CA -0.527 54.252 54.840 -0.103 0.000 0.819 192 L CB 1.956 43.959 42.059 -0.095 0.000 1.311 192 L HN 0.402 nan 8.230 nan 0.000 0.423 193 F N 0.507 120.427 119.950 -0.050 0.000 2.495 193 F HA 0.842 5.392 4.527 0.039 0.000 0.327 193 F C 0.715 176.482 175.800 -0.055 0.000 1.103 193 F CA -0.569 57.403 58.000 -0.047 0.000 0.949 193 F CB 2.126 41.101 39.000 -0.043 0.000 1.142 193 F HN 0.480 nan 8.300 nan 0.000 0.457 194 G N 0.237 109.089 108.800 0.087 0.000 2.749 194 G HA2 0.553 4.535 3.960 0.036 0.000 0.300 194 G HA3 0.553 4.535 3.960 0.036 0.000 0.300 194 G C -0.170 174.735 174.900 0.007 0.000 1.352 194 G CA -0.198 44.915 45.100 0.022 0.000 0.789 194 G HN 0.745 nan 8.290 nan 0.000 0.509 195 A N -0.854 121.949 122.820 -0.027 0.000 1.903 195 A HA 0.447 4.789 4.320 0.036 0.000 0.213 195 A C 1.336 178.881 177.584 -0.065 0.000 1.185 195 A CA 0.894 52.912 52.037 -0.031 0.000 0.628 195 A CB -0.015 18.963 19.000 -0.037 0.000 0.830 195 A HN 0.523 nan 8.150 nan 0.000 0.446 196 R N -3.396 117.033 120.500 -0.119 0.000 2.855 196 R HA 0.579 4.941 4.340 0.036 0.000 0.266 196 R C 0.950 177.110 176.300 -0.234 0.000 1.034 196 R CA -0.091 55.899 56.100 -0.183 0.000 0.944 196 R CB 1.309 31.456 30.300 -0.254 0.000 1.219 196 R HN 0.132 nan 8.270 nan 0.000 0.474 197 A N 0.806 123.464 122.820 -0.269 0.000 1.917 197 A HA -0.247 4.095 4.320 0.036 0.000 0.219 197 A C 1.889 179.269 177.584 -0.341 0.000 1.182 197 A CA 2.178 54.074 52.037 -0.235 0.000 0.633 197 A CB -0.562 18.360 19.000 -0.129 0.000 0.819 197 A HN 0.897 nan 8.150 nan 0.000 0.448 198 E N -0.198 119.589 120.200 -0.689 0.000 2.160 198 E HA -0.252 4.119 4.350 0.036 0.000 0.195 198 E C 1.135 177.532 176.600 -0.338 0.000 0.991 198 E CA 1.441 57.401 56.400 -0.732 0.000 0.810 198 E CB -0.191 28.794 29.700 -1.192 0.000 0.742 198 E HN 0.607 nan 8.360 nan 0.000 0.466 199 D N 0.570 120.804 120.400 -0.278 0.000 2.144 199 D HA -0.141 4.521 4.640 0.036 0.000 0.200 199 D C 2.173 178.386 176.300 -0.144 0.000 0.978 199 D CA 0.842 54.740 54.000 -0.169 0.000 0.833 199 D CB -0.114 40.605 40.800 -0.134 0.000 0.961 199 D HN 0.326 nan 8.370 nan 0.000 0.470 200 L N 0.885 122.011 121.223 -0.161 0.000 2.056 200 L HA -0.114 4.248 4.340 0.036 0.000 0.207 200 L C 2.683 179.432 176.870 -0.201 0.000 1.078 200 L CA 1.025 55.766 54.840 -0.165 0.000 0.749 200 L CB -0.526 41.436 42.059 -0.162 0.000 0.901 200 L HN -0.041 nan 8.230 nan 0.000 0.433 201 A N 0.133 122.858 122.820 -0.159 0.000 1.883 201 A HA -0.186 4.156 4.320 0.036 0.000 0.217 201 A C 2.375 179.900 177.584 -0.098 0.000 1.186 201 A CA 1.369 53.339 52.037 -0.113 0.000 0.624 201 A CB -0.402 18.629 19.000 0.053 0.000 0.822 201 A HN 0.254 nan 8.150 nan 0.000 0.444 202 R N -0.475 119.985 120.500 -0.067 0.000 2.120 202 R HA -0.088 4.273 4.340 0.036 0.000 0.234 202 R C 2.287 178.550 176.300 -0.063 0.000 1.123 202 R CA 1.229 57.308 56.100 -0.035 0.000 0.975 202 R CB -1.486 28.795 30.300 -0.031 0.000 0.866 202 R HN 0.545 nan 8.270 nan 0.000 0.446 203 G N 0.925 109.662 108.800 -0.106 0.000 2.402 203 G HA2 -0.171 3.811 3.960 0.036 0.000 0.216 203 G HA3 -0.171 3.811 3.960 0.036 0.000 0.216 203 G C 1.591 176.405 174.900 -0.145 0.000 1.162 203 G CA 0.159 45.197 45.100 -0.104 0.000 0.777 203 G HN 0.194 nan 8.290 nan 0.000 0.539 204 L N -0.212 120.841 121.223 -0.283 0.000 2.141 204 L HA 0.031 4.393 4.340 0.036 0.000 0.209 204 L C 2.634 179.384 176.870 -0.200 0.000 1.094 204 L CA 0.218 54.801 54.840 -0.428 0.000 0.763 204 L CB -0.293 41.085 42.059 -1.135 0.000 0.908 204 L HN 0.225 nan 8.230 nan 0.000 0.437 205 L N 0.261 121.438 121.223 -0.077 0.000 2.017 205 L HA -0.133 4.229 4.340 0.036 0.000 0.208 205 L C 2.615 179.526 176.870 0.068 0.000 1.073 205 L CA 2.104 57.014 54.840 0.117 0.000 0.745 205 L CB -0.712 41.421 42.059 0.123 0.000 0.894 205 L HN 0.123 nan 8.230 nan 0.000 0.432 206 A N -0.772 122.059 122.820 0.019 0.000 1.930 206 A HA -0.194 4.148 4.320 0.036 0.000 0.217 206 A C 2.265 179.859 177.584 0.016 0.000 1.175 206 A CA 2.050 54.098 52.037 0.017 0.000 0.627 206 A CB -0.543 18.458 19.000 0.003 0.000 0.815 206 A HN 0.554 nan 8.150 nan 0.000 0.443 207 M N -0.564 119.036 119.600 -0.000 0.000 2.200 207 M HA -0.090 4.412 4.480 0.036 0.000 0.265 207 M C 2.220 178.538 176.300 0.029 0.000 1.066 207 M CA 1.915 57.217 55.300 0.004 0.000 1.127 207 M CB -0.252 32.336 32.600 -0.020 0.000 1.379 207 M HN 0.679 nan 8.290 nan 0.000 0.420 208 T N -4.412 110.178 114.554 0.059 0.000 2.990 208 T HA 0.324 4.696 4.350 0.036 0.000 0.249 208 T C 1.481 176.238 174.700 0.094 0.000 1.039 208 T CA 0.631 62.787 62.100 0.093 0.000 1.036 208 T CB 0.356 69.324 68.868 0.167 0.000 0.994 208 T HN 0.528 nan 8.240 nan 0.000 0.489 209 G N 2.376 111.237 108.800 0.101 0.000 2.153 209 G HA2 -0.287 3.695 3.960 0.036 0.000 0.252 209 G HA3 -0.287 3.695 3.960 0.036 0.000 0.252 209 G C 0.071 175.019 174.900 0.080 0.000 0.994 209 G CA 0.034 45.181 45.100 0.079 0.000 0.698 209 G HN 0.713 nan 8.290 nan 0.000 0.521 210 R N 0.721 121.296 120.500 0.126 0.000 2.316 210 R HA 0.398 4.760 4.340 0.036 0.000 0.314 210 R C 1.986 178.283 176.300 -0.005 0.000 1.069 210 R CA 0.361 56.484 56.100 0.039 0.000 0.959 210 R CB 0.786 31.087 30.300 0.002 0.000 0.987 210 R HN 0.449 nan 8.270 nan 0.000 0.446 211 S N 2.685 118.360 115.700 -0.042 0.000 2.402 211 S HA -0.217 4.274 4.470 0.036 0.000 0.233 211 S C 1.484 176.029 174.600 -0.092 0.000 1.030 211 S CA 1.348 59.524 58.200 -0.040 0.000 1.003 211 S CB -0.118 63.057 63.200 -0.041 0.000 0.813 211 S HN 0.721 nan 8.310 nan 0.000 0.477 212 E N 1.294 121.353 120.200 -0.234 0.000 2.209 212 E HA -0.160 4.212 4.350 0.036 0.000 0.196 212 E C 1.156 177.576 176.600 -0.301 0.000 0.993 212 E CA 0.928 57.121 56.400 -0.346 0.000 0.819 212 E CB -0.828 28.529 29.700 -0.571 0.000 0.745 212 E HN 0.799 nan 8.360 nan 0.000 0.477 213 F N 1.196 121.154 119.950 0.013 0.000 2.693 213 F HA 0.168 4.717 4.527 0.037 0.000 0.303 213 F C 1.120 176.943 175.800 0.038 0.000 1.097 213 F CA -0.433 57.583 58.000 0.027 0.000 1.330 213 F CB 0.654 39.663 39.000 0.016 0.000 1.067 213 F HN -0.168 nan 8.300 nan 0.000 0.565 214 S N 0.040 115.832 115.700 0.153 0.000 2.442 214 S HA 0.505 4.997 4.470 0.036 0.000 0.297 214 S C 0.756 175.410 174.600 0.090 0.000 1.131 214 S CA 0.177 58.445 58.200 0.113 0.000 1.092 214 S CB 0.997 64.239 63.200 0.070 0.000 0.998 214 S HN 0.612 nan 8.310 nan 0.000 0.478 215 G N 4.387 113.249 108.800 0.104 0.000 2.160 215 G HA2 -0.216 3.766 3.960 0.036 0.000 0.251 215 G HA3 -0.216 3.766 3.960 0.036 0.000 0.251 215 G C 0.135 175.089 174.900 0.091 0.000 1.008 215 G CA 0.224 45.375 45.100 0.085 0.000 0.724 215 G HN 0.771 nan 8.290 nan 0.000 0.514 216 I N -0.324 120.345 120.570 0.164 0.000 2.692 216 I HA 0.345 4.537 4.170 0.036 0.000 0.284 216 I C 0.778 176.964 176.117 0.115 0.000 1.159 216 I CA 0.194 61.602 61.300 0.181 0.000 1.423 216 I CB 1.217 39.403 38.000 0.311 0.000 1.380 216 I HN 0.037 nan 8.210 nan 0.000 0.580 217 V N 7.754 127.603 119.914 -0.108 0.000 3.078 217 V HA 0.502 4.643 4.120 0.036 0.000 0.311 217 V C -2.383 173.383 176.094 -0.547 0.000 1.138 217 V CA -2.160 59.838 62.300 -0.503 0.000 1.007 217 V CB 2.569 34.208 31.823 -0.307 0.000 1.045 217 V HN 0.507 nan 8.190 nan 0.000 0.432 218 P HA 0.201 nan 4.420 nan 0.000 0.264 218 P C -0.605 176.611 177.300 -0.140 0.000 1.183 218 P CA 0.428 63.235 63.100 -0.488 0.000 0.763 218 P CB 0.379 31.738 31.700 -0.568 0.000 0.807 219 A N 3.763 126.600 122.820 0.029 0.000 2.406 219 A HA 0.270 4.612 4.320 0.036 0.000 0.243 219 A C 0.223 177.747 177.584 -0.100 0.000 1.082 219 A CA 0.229 52.250 52.037 -0.027 0.000 0.786 219 A CB 0.106 19.117 19.000 0.018 0.000 1.029 219 A HN 0.347 nan 8.150 nan 0.000 0.495 220 K N 0.478 120.789 120.400 -0.148 0.000 2.292 220 K HA 0.543 4.885 4.320 0.036 0.000 0.257 220 K C 0.125 176.589 176.600 -0.227 0.000 0.940 220 K CA 0.259 56.459 56.287 -0.144 0.000 0.811 220 K CB 1.499 33.953 32.500 -0.077 0.000 1.120 220 K HN 1.639 nan 8.250 nan 0.000 0.428 221 A N 3.134 125.796 122.820 -0.264 0.000 2.415 221 A HA -0.147 4.195 4.320 0.036 0.000 0.292 221 A C -2.195 175.226 177.584 -0.271 0.000 1.452 221 A CA -0.226 51.675 52.037 -0.227 0.000 0.750 221 A CB -1.853 17.088 19.000 -0.099 0.000 1.099 221 A HN 0.388 nan 8.150 nan 0.000 0.391 222 P HA 0.254 nan 4.420 nan 0.000 0.268 222 P C 0.124 177.319 177.300 -0.174 0.000 1.205 222 P CA 0.130 63.045 63.100 -0.309 0.000 0.771 222 P CB 0.450 31.865 31.700 -0.475 0.000 0.858 223 R N 3.108 123.555 120.500 -0.088 0.000 2.204 223 R HA 0.413 4.775 4.340 0.036 0.000 0.341 223 R C -0.192 176.074 176.300 -0.057 0.000 1.035 223 R CA -0.336 55.732 56.100 -0.053 0.000 0.887 223 R CB 0.116 30.406 30.300 -0.017 0.000 1.114 223 R HN 0.484 nan 8.270 nan 0.000 0.473 224 I N 1.318 121.853 120.570 -0.058 0.000 2.377 224 I HA 0.339 4.531 4.170 0.036 0.000 0.293 224 I C 0.743 176.821 176.117 -0.065 0.000 0.987 224 I CA -0.692 60.572 61.300 -0.060 0.000 1.185 224 I CB 2.058 40.034 38.000 -0.040 0.000 1.341 224 I HN 0.578 nan 8.210 nan 0.000 0.455 225 G N 5.713 114.457 108.800 -0.092 0.000 2.437 225 G HA2 0.533 4.514 3.960 0.036 0.000 0.315 225 G HA3 0.533 4.514 3.960 0.036 0.000 0.315 225 G C -0.656 174.178 174.900 -0.110 0.000 1.210 225 G CA -0.331 44.707 45.100 -0.103 0.000 0.943 225 G HN 0.346 nan 8.290 nan 0.000 0.471 226 V N 3.115 122.974 119.914 -0.092 0.000 2.461 226 V HA 0.438 4.580 4.120 0.036 0.000 0.275 226 V C 0.429 176.466 176.094 -0.095 0.000 1.047 226 V CA -0.485 61.749 62.300 -0.110 0.000 0.955 226 V CB 1.064 32.823 31.823 -0.107 0.000 0.988 226 V HN 0.730 nan 8.190 nan 0.000 0.471 227 V N 3.215 123.065 119.914 -0.107 0.000 2.531 227 V HA 0.588 4.730 4.120 0.036 0.000 0.301 227 V C 0.414 176.442 176.094 -0.110 0.000 1.034 227 V CA -0.772 61.502 62.300 -0.043 0.000 0.865 227 V CB 1.571 33.446 31.823 0.087 0.000 0.995 227 V HN 0.741 nan 8.190 nan 0.000 0.424 228 R N 1.549 121.991 120.500 -0.097 0.000 2.334 228 R HA 0.259 4.621 4.340 0.036 0.000 0.216 228 R C 0.011 176.310 176.300 -0.002 0.000 0.905 228 R CA -0.037 56.023 56.100 -0.065 0.000 1.064 228 R CB 0.084 30.396 30.300 0.020 0.000 1.046 228 R HN 0.943 nan 8.270 nan 0.000 0.508 229 Q N 0.678 120.342 119.800 -0.226 0.000 2.447 229 Q HA -0.220 4.141 4.340 0.036 0.000 0.348 229 Q C -0.147 175.242 176.000 -1.019 0.000 1.421 229 Q CA 0.412 55.656 55.803 -0.932 0.000 0.978 229 Q CB -0.723 27.657 28.738 -0.597 0.000 1.191 229 Q HN 0.328 nan 8.270 nan 0.000 0.371 230 E N 0.025 119.790 120.200 -0.724 0.000 2.118 230 E HA -0.203 4.169 4.350 0.036 0.000 0.195 230 E C 1.260 177.513 176.600 -0.580 0.000 0.992 230 E CA 2.016 58.152 56.400 -0.440 0.000 0.804 230 E CB -0.376 29.202 29.700 -0.204 0.000 0.741 230 E HN 0.801 nan 8.360 nan 0.000 0.458 231 F N -0.508 119.096 119.950 -0.576 0.000 2.408 231 F HA 0.089 4.636 4.527 0.033 0.000 0.300 231 F C 1.913 177.009 175.800 -1.173 0.000 1.090 231 F CA 0.611 58.153 58.000 -0.764 0.000 1.427 231 F CB -0.517 37.934 39.000 -0.914 0.000 1.070 231 F HN -0.011 nan 8.300 nan 0.000 0.549 232 A N 0.425 122.453 122.820 -1.319 0.000 2.251 232 A HA 0.544 4.886 4.320 0.036 0.000 0.209 232 A C 1.500 178.730 177.584 -0.590 0.000 1.187 232 A CA 0.556 51.901 52.037 -1.153 0.000 0.823 232 A CB -1.229 17.080 19.000 -1.151 0.000 0.846 232 A HN 0.946 nan 8.150 nan 0.000 0.486 233 G N -1.468 107.098 108.800 -0.390 0.000 2.627 233 G HA2 0.332 4.314 3.960 0.036 0.000 0.214 233 G HA3 0.332 4.314 3.960 0.036 0.000 0.214 233 G C 0.081 174.947 174.900 -0.057 0.000 1.331 233 G CA -0.353 44.650 45.100 -0.163 0.000 0.891 233 G HN 1.613 nan 8.290 nan 0.000 0.539 234 A N -0.722 122.091 122.820 -0.012 0.000 2.354 234 A HA 0.674 5.016 4.320 0.036 0.000 0.281 234 A C 0.660 178.260 177.584 0.027 0.000 1.174 234 A CA 0.565 52.602 52.037 -0.000 0.000 0.828 234 A CB 1.026 20.019 19.000 -0.010 0.000 1.099 234 A HN 2.149 nan 8.150 nan 0.000 0.516 235 V N 2.891 122.763 119.914 -0.071 0.000 2.904 235 V HA 0.208 4.350 4.120 0.036 0.000 0.305 235 V C 0.492 176.463 176.094 -0.205 0.000 1.067 235 V CA -0.417 61.721 62.300 -0.271 0.000 1.044 235 V CB 1.258 32.555 31.823 -0.876 0.000 1.050 235 V HN 1.010 nan 8.190 nan 0.000 0.475 236 E N 5.517 125.596 120.200 -0.201 0.000 2.343 236 E HA 0.225 4.597 4.350 0.036 0.000 0.269 236 E C -1.774 174.748 176.600 -0.130 0.000 1.047 236 E CA -1.354 54.975 56.400 -0.118 0.000 0.874 236 E CB 1.040 30.697 29.700 -0.071 0.000 1.033 236 E HN 0.518 nan 8.360 nan 0.000 0.409 237 P HA -0.330 nan 4.420 nan 0.000 0.217 237 P C 1.030 178.300 177.300 -0.051 0.000 1.162 237 P CA 2.068 65.135 63.100 -0.056 0.000 0.901 237 P CB 0.101 31.780 31.700 -0.036 0.000 0.793 238 A N -0.347 122.444 122.820 -0.049 0.000 1.917 238 A HA -0.241 4.101 4.320 0.036 0.000 0.219 238 A C 2.348 179.914 177.584 -0.031 0.000 1.182 238 A CA 2.625 54.640 52.037 -0.038 0.000 0.633 238 A CB -1.698 17.278 19.000 -0.040 0.000 0.819 238 A HN 0.233 nan 8.150 nan 0.000 0.448 239 A N -0.437 122.341 122.820 -0.069 0.000 1.877 239 A HA -0.175 4.167 4.320 0.036 0.000 0.216 239 A C 1.998 179.629 177.584 0.079 0.000 1.186 239 A CA 2.233 54.237 52.037 -0.056 0.000 0.620 239 A CB -0.534 18.280 19.000 -0.310 0.000 0.822 239 A HN 0.579 nan 8.150 nan 0.000 0.443 240 E N 0.093 120.313 120.200 0.034 0.000 2.110 240 E HA -0.202 4.169 4.350 0.036 0.000 0.193 240 E C 2.082 178.728 176.600 0.077 0.000 0.988 240 E CA 1.777 58.271 56.400 0.158 0.000 0.804 240 E CB -0.378 29.363 29.700 0.069 0.000 0.745 240 E HN 0.719 nan 8.360 nan 0.000 0.458 241 Q N -0.607 119.210 119.800 0.028 0.000 2.096 241 Q HA -0.101 4.261 4.340 0.036 0.000 0.204 241 Q C 2.218 178.225 176.000 0.012 0.000 0.982 241 Q CA 1.418 57.227 55.803 0.011 0.000 0.850 241 Q CB -0.402 28.333 28.738 -0.005 0.000 0.901 241 Q HN 0.466 nan 8.270 nan 0.000 0.422 242 G N 0.849 109.661 108.800 0.021 0.000 2.418 242 G HA2 -0.246 3.736 3.960 0.036 0.000 0.217 242 G HA3 -0.246 3.736 3.960 0.036 0.000 0.217 242 G C 1.359 176.262 174.900 0.005 0.000 1.158 242 G CA 0.575 45.682 45.100 0.012 0.000 0.771 242 G HN 0.236 nan 8.290 nan 0.000 0.545 243 L N 0.312 121.547 121.223 0.020 0.000 2.046 243 L HA 0.001 4.363 4.340 0.036 0.000 0.208 243 L C 2.834 179.678 176.870 -0.042 0.000 1.077 243 L CA 1.930 56.742 54.840 -0.047 0.000 0.747 243 L CB -0.577 41.405 42.059 -0.128 0.000 0.896 243 L HN 0.287 nan 8.230 nan 0.000 0.432 244 Q N -1.065 118.727 119.800 -0.015 0.000 2.119 244 Q HA -0.139 4.223 4.340 0.036 0.000 0.201 244 Q C 2.231 178.221 176.000 -0.016 0.000 0.972 244 Q CA 1.399 57.193 55.803 -0.016 0.000 0.847 244 Q CB -0.248 28.488 28.738 -0.004 0.000 0.903 244 Q HN 0.694 nan 8.270 nan 0.000 0.433 245 A N 0.862 123.673 122.820 -0.014 0.000 1.902 245 A HA -0.131 4.210 4.320 0.036 0.000 0.217 245 A C 2.236 179.807 177.584 -0.022 0.000 1.181 245 A CA 1.574 53.600 52.037 -0.017 0.000 0.623 245 A CB -0.685 18.305 19.000 -0.017 0.000 0.818 245 A HN 0.410 nan 8.150 nan 0.000 0.443 246 A N -0.033 122.772 122.820 -0.025 0.000 1.898 246 A HA -0.047 4.295 4.320 0.036 0.000 0.216 246 A C 2.116 179.691 177.584 -0.014 0.000 1.181 246 A CA 1.456 53.478 52.037 -0.026 0.000 0.620 246 A CB -0.587 18.394 19.000 -0.032 0.000 0.819 246 A HN 0.489 nan 8.150 nan 0.000 0.442 247 I N -0.500 120.059 120.570 -0.019 0.000 2.179 247 I HA -0.277 3.915 4.170 0.036 0.000 0.242 247 I C 2.556 178.676 176.117 0.004 0.000 1.088 247 I CA 1.911 63.206 61.300 -0.008 0.000 1.357 247 I CB -0.278 37.708 38.000 -0.023 0.000 1.051 247 I HN 0.374 nan 8.210 nan 0.000 0.409 248 K N 1.310 121.707 120.400 -0.005 0.000 2.032 248 K HA -0.226 4.115 4.320 0.036 0.000 0.209 248 K C 2.229 178.828 176.600 -0.002 0.000 1.048 248 K CA 1.712 57.998 56.287 -0.003 0.000 0.927 248 K CB -0.173 32.322 32.500 -0.008 0.000 0.712 248 K HN 0.298 nan 8.250 nan 0.000 0.441 249 A N 0.982 123.792 122.820 -0.016 0.000 1.883 249 A HA -0.140 4.202 4.320 0.036 0.000 0.217 249 A C 2.337 179.902 177.584 -0.032 0.000 1.186 249 A CA 2.050 54.064 52.037 -0.038 0.000 0.624 249 A CB -0.895 18.065 19.000 -0.065 0.000 0.822 249 A HN 0.516 nan 8.150 nan 0.000 0.444 250 A N -0.433 122.398 122.820 0.018 0.000 1.902 250 A HA -0.165 4.177 4.320 0.036 0.000 0.217 250 A C 1.934 179.631 177.584 0.189 0.000 1.181 250 A CA 1.666 53.796 52.037 0.156 0.000 0.623 250 A CB -0.521 18.622 19.000 0.240 0.000 0.818 250 A HN 0.643 nan 8.150 nan 0.000 0.443 251 E N -0.606 119.651 120.200 0.095 0.000 2.051 251 E HA -0.183 4.188 4.350 0.036 0.000 0.192 251 E C 2.254 178.895 176.600 0.069 0.000 0.991 251 E CA 0.980 57.423 56.400 0.073 0.000 0.799 251 E CB -0.128 29.594 29.700 0.036 0.000 0.748 251 E HN 0.329 nan 8.360 nan 0.000 0.449 252 R N 0.247 120.774 120.500 0.045 0.000 2.120 252 R HA -0.048 4.314 4.340 0.036 0.000 0.234 252 R C 1.903 178.231 176.300 0.048 0.000 1.123 252 R CA 1.078 57.197 56.100 0.031 0.000 0.975 252 R CB -0.674 29.629 30.300 0.006 0.000 0.866 252 R HN 0.124 nan 8.270 nan 0.000 0.446 253 A N -0.230 122.635 122.820 0.076 0.000 2.238 253 A HA 0.313 4.654 4.320 0.036 0.000 0.208 253 A C 1.352 179.087 177.584 0.252 0.000 1.177 253 A CA 0.940 53.049 52.037 0.121 0.000 0.804 253 A CB -0.051 18.930 19.000 -0.032 0.000 0.823 253 A HN 0.422 nan 8.150 nan 0.000 0.482 254 G N -2.382 106.530 108.800 0.187 0.000 2.184 254 G HA2 0.153 4.135 3.960 0.036 0.000 0.206 254 G HA3 0.153 4.135 3.960 0.036 0.000 0.206 254 G C 0.396 175.343 174.900 0.079 0.000 0.995 254 G CA 0.100 45.273 45.100 0.123 0.000 0.651 254 G HN 1.474 nan 8.290 nan 0.000 0.511 255 A N 0.387 123.291 122.820 0.140 0.000 2.351 255 A HA 0.733 5.075 4.320 0.036 0.000 0.257 255 A C 0.903 178.494 177.584 0.012 0.000 1.087 255 A CA 0.870 52.914 52.037 0.012 0.000 0.798 255 A CB 0.524 19.580 19.000 0.092 0.000 1.033 255 A HN 1.881 nan 8.150 nan 0.000 0.488 256 S N 1.016 116.700 115.700 -0.027 0.000 2.422 256 S HA 0.566 5.058 4.470 0.036 0.000 0.308 256 S C -0.613 173.977 174.600 -0.017 0.000 1.097 256 S CA -0.595 57.595 58.200 -0.016 0.000 1.099 256 S CB 0.740 63.926 63.200 -0.024 0.000 0.976 256 S HN 0.698 nan 8.310 nan 0.000 0.471 257 V N 4.966 124.876 119.914 -0.008 0.000 2.448 257 V HA 0.581 4.723 4.120 0.036 0.000 0.295 257 V C -0.251 175.831 176.094 -0.020 0.000 1.025 257 V CA -0.618 61.673 62.300 -0.015 0.000 0.859 257 V CB 1.205 33.025 31.823 -0.005 0.000 0.988 257 V HN 1.019 nan 8.190 nan 0.000 0.431 258 Q N 3.815 123.597 119.800 -0.030 0.000 2.359 258 Q HA 0.875 5.237 4.340 0.036 0.000 0.274 258 Q C -0.872 175.106 176.000 -0.037 0.000 1.074 258 Q CA -0.869 54.916 55.803 -0.028 0.000 0.810 258 Q CB 2.537 31.259 28.738 -0.026 0.000 1.342 258 Q HN 0.745 nan 8.270 nan 0.000 0.427 259 A N 3.598 126.400 122.820 -0.030 0.000 2.327 259 A HA 0.743 5.084 4.320 0.036 0.000 0.283 259 A C -0.125 177.446 177.584 -0.022 0.000 1.127 259 A CA -0.697 51.321 52.037 -0.031 0.000 0.810 259 A CB 0.203 19.189 19.000 -0.024 0.000 1.066 259 A HN 0.783 nan 8.150 nan 0.000 0.492 260 I N -0.935 119.623 120.570 -0.019 0.000 2.722 260 I HA 0.499 4.691 4.170 0.036 0.000 0.295 260 I C -1.609 174.528 176.117 0.033 0.000 1.161 260 I CA -0.944 60.355 61.300 -0.002 0.000 1.032 260 I CB 2.467 40.454 38.000 -0.021 0.000 1.244 260 I HN 0.354 nan 8.210 nan 0.000 0.421 261 D N 6.005 126.439 120.400 0.058 0.000 2.198 261 D HA 0.491 5.153 4.640 0.036 0.000 0.245 261 D C -0.194 176.204 176.300 0.163 0.000 1.079 261 D CA -0.209 53.864 54.000 0.122 0.000 0.854 261 D CB 2.740 43.607 40.800 0.113 0.000 1.148 261 D HN 0.445 nan 8.370 nan 0.000 0.456 262 L N 3.049 124.452 121.223 0.302 0.000 2.417 262 L HA 0.217 4.579 4.340 0.036 0.000 0.268 262 L C -1.984 174.999 176.870 0.188 0.000 1.158 262 L CA -1.541 53.478 54.840 0.299 0.000 0.819 262 L CB 0.141 42.463 42.059 0.438 0.000 1.112 262 L HN 0.062 nan 8.230 nan 0.000 0.458 263 P HA -0.057 nan 4.420 nan 0.000 0.268 263 P C 0.262 177.369 177.300 -0.322 0.000 1.208 263 P CA -0.094 62.938 63.100 -0.113 0.000 0.777 263 P CB 0.602 32.273 31.700 -0.048 0.000 0.875 264 E N 2.911 122.879 120.200 -0.385 0.000 2.118 264 E HA -0.236 4.136 4.350 0.036 0.000 0.195 264 E C 1.811 178.280 176.600 -0.219 0.000 0.992 264 E CA 2.095 58.239 56.400 -0.426 0.000 0.804 264 E CB -0.975 28.584 29.700 -0.235 0.000 0.741 264 E HN 0.429 nan 8.360 nan 0.000 0.458 265 A N -0.085 122.650 122.820 -0.142 0.000 1.978 265 A HA -0.139 4.203 4.320 0.036 0.000 0.220 265 A C 2.472 180.000 177.584 -0.093 0.000 1.170 265 A CA 1.665 53.647 52.037 -0.092 0.000 0.636 265 A CB -0.589 18.372 19.000 -0.065 0.000 0.810 265 A HN 0.215 nan 8.150 nan 0.000 0.448 266 V N -0.606 119.251 119.914 -0.096 0.000 2.407 266 V HA -0.219 3.923 4.120 0.036 0.000 0.245 266 V C 2.212 178.139 176.094 -0.277 0.000 1.041 266 V CA 1.852 64.073 62.300 -0.132 0.000 1.040 266 V CB -1.123 30.667 31.823 -0.055 0.000 0.671 266 V HN 0.714 nan 8.190 nan 0.000 0.455 267 H N -0.350 118.423 119.070 -0.495 0.000 2.352 267 H HA -0.153 4.424 4.556 0.035 0.000 0.299 267 H C 2.448 177.600 175.328 -0.295 0.000 1.097 267 H CA 1.385 57.016 56.048 -0.696 0.000 1.311 267 H CB 0.203 29.785 29.762 -0.299 0.000 1.377 267 H HN 0.380 nan 8.280 nan 0.000 0.504 268 E N 0.862 121.045 120.200 -0.029 0.000 2.077 268 E HA -0.126 4.246 4.350 0.036 0.000 0.193 268 E C 2.529 179.105 176.600 -0.040 0.000 0.989 268 E CA 0.835 57.229 56.400 -0.011 0.000 0.800 268 E CB -0.260 29.419 29.700 -0.034 0.000 0.746 268 E HN 0.438 nan 8.360 nan 0.000 0.452 269 A N 0.604 123.373 122.820 -0.086 0.000 1.908 269 A HA -0.205 4.137 4.320 0.036 0.000 0.218 269 A C 2.034 179.565 177.584 -0.090 0.000 1.181 269 A CA 1.632 53.608 52.037 -0.101 0.000 0.627 269 A CB -1.173 17.754 19.000 -0.122 0.000 0.818 269 A HN 0.486 nan 8.150 nan 0.000 0.445 270 W N 0.564 121.678 121.300 -0.310 0.000 2.358 270 W HA -0.193 4.488 4.660 0.036 0.000 0.303 270 W C 2.382 178.823 176.519 -0.129 0.000 1.208 270 W CA 2.014 59.195 57.345 -0.274 0.000 1.274 270 W CB -0.181 29.010 29.460 -0.448 0.000 1.138 270 W HN 0.309 nan 8.180 nan 0.000 0.515 271 R N 0.803 121.308 120.500 0.007 0.000 2.081 271 R HA -0.185 4.177 4.340 0.036 0.000 0.235 271 R C 1.923 178.078 176.300 -0.243 0.000 1.131 271 R CA 2.306 58.309 56.100 -0.161 0.000 0.960 271 R CB -0.766 29.592 30.300 0.098 0.000 0.856 271 R HN 0.419 nan 8.270 nan 0.000 0.436 272 I N -1.419 119.058 120.570 -0.155 0.000 3.684 272 I HA -0.004 4.188 4.170 0.036 0.000 0.304 272 I C 1.983 178.015 176.117 -0.142 0.000 1.278 272 I CA 0.630 61.849 61.300 -0.135 0.000 1.272 272 I CB -0.595 37.339 38.000 -0.110 0.000 1.029 272 I HN 0.133 nan 8.210 nan 0.000 0.458 273 H N 2.937 121.836 119.070 -0.285 0.000 2.319 273 H HA -0.060 4.518 4.556 0.036 0.000 0.297 273 H C -0.702 174.509 175.328 -0.195 0.000 1.097 273 H CA 2.401 58.297 56.048 -0.254 0.000 1.285 273 H CB -1.183 28.381 29.762 -0.331 0.000 1.368 273 H HN 0.221 nan 8.280 nan 0.000 0.495 274 P HA -0.144 nan 4.420 nan 0.000 0.216 274 P C 1.906 179.173 177.300 -0.056 0.000 1.150 274 P CA 1.079 64.162 63.100 -0.028 0.000 0.837 274 P CB -0.015 31.644 31.700 -0.069 0.000 0.786 275 I N -1.003 119.528 120.570 -0.065 0.000 2.142 275 I HA -0.198 3.994 4.170 0.036 0.000 0.240 275 I C 2.370 178.510 176.117 0.037 0.000 1.078 275 I CA 1.576 62.870 61.300 -0.009 0.000 1.343 275 I CB -1.493 36.490 38.000 -0.028 0.000 1.046 275 I HN -0.030 nan 8.210 nan 0.000 0.405 276 I N 0.340 120.888 120.570 -0.037 0.000 2.179 276 I HA -0.340 3.851 4.170 0.036 0.000 0.242 276 I C 2.769 178.838 176.117 -0.081 0.000 1.088 276 I CA 1.415 62.722 61.300 0.011 0.000 1.357 276 I CB -0.476 37.427 38.000 -0.162 0.000 1.051 276 I HN 0.367 nan 8.210 nan 0.000 0.409 277 Q N 0.998 120.669 119.800 -0.215 0.000 2.002 277 Q HA -0.265 4.097 4.340 0.036 0.000 0.204 277 Q C 1.712 177.688 176.000 -0.040 0.000 0.988 277 Q CA 2.249 57.960 55.803 -0.153 0.000 0.843 277 Q CB 0.015 28.654 28.738 -0.165 0.000 0.908 277 Q HN 0.452 nan 8.270 nan 0.000 0.420 278 D N -0.312 120.082 120.400 -0.009 0.000 2.183 278 D HA -0.114 4.548 4.640 0.036 0.000 0.203 278 D C 1.544 177.822 176.300 -0.037 0.000 0.969 278 D CA 0.645 54.634 54.000 -0.018 0.000 0.842 278 D CB -0.343 40.475 40.800 0.030 0.000 0.957 278 D HN 0.270 nan 8.370 nan 0.000 0.484 279 F N 1.850 121.710 119.950 -0.149 0.000 2.146 279 F HA -0.092 4.457 4.527 0.036 0.000 0.298 279 F C 2.091 177.686 175.800 -0.342 0.000 1.096 279 F CA 1.331 59.195 58.000 -0.227 0.000 1.275 279 F CB 0.092 38.888 39.000 -0.340 0.000 1.008 279 F HN -0.140 nan 8.300 nan 0.000 0.480 280 E N 0.117 120.105 120.200 -0.353 0.000 2.106 280 E HA -0.148 4.224 4.350 0.036 0.000 0.192 280 E C 2.348 178.697 176.600 -0.418 0.000 0.984 280 E CA 0.787 56.820 56.400 -0.612 0.000 0.806 280 E CB -0.352 28.734 29.700 -1.023 0.000 0.750 280 E HN 0.495 nan 8.360 nan 0.000 0.458 281 A N 1.318 123.897 122.820 -0.401 0.000 1.940 281 A HA -0.222 4.120 4.320 0.036 0.000 0.219 281 A C 1.846 179.125 177.584 -0.508 0.000 1.176 281 A CA 1.340 53.052 52.037 -0.541 0.000 0.631 281 A CB -0.656 17.880 19.000 -0.774 0.000 0.814 281 A HN 0.277 nan 8.150 nan 0.000 0.446 282 H N -0.750 118.044 119.070 -0.460 0.000 2.421 282 H HA -0.042 4.536 4.556 0.036 0.000 0.298 282 H C 2.383 177.500 175.328 -0.352 0.000 1.087 282 H CA 1.811 57.567 56.048 -0.487 0.000 1.330 282 H CB 0.099 29.515 29.762 -0.577 0.000 1.388 282 H HN 0.361 nan 8.280 nan 0.000 0.526 283 R N 0.400 120.788 120.500 -0.187 0.000 2.062 283 R HA 0.075 4.437 4.340 0.036 0.000 0.226 283 R C 2.543 178.869 176.300 0.043 0.000 1.125 283 R CA 1.119 57.193 56.100 -0.043 0.000 0.966 283 R CB -0.655 29.713 30.300 0.114 0.000 0.861 283 R HN 0.221 nan 8.270 nan 0.000 0.433 284 A N 0.193 123.075 122.820 0.103 0.000 1.972 284 A HA -0.050 4.292 4.320 0.036 0.000 0.219 284 A C 1.437 179.005 177.584 -0.028 0.000 1.169 284 A CA 1.167 53.263 52.037 0.099 0.000 0.635 284 A CB -0.280 18.802 19.000 0.136 0.000 0.810 284 A HN 0.231 nan 8.150 nan 0.000 0.446 285 L N -1.065 120.078 121.223 -0.134 0.000 3.017 285 L HA 0.269 4.630 4.340 0.036 0.000 0.255 285 L C 2.090 178.945 176.870 -0.025 0.000 1.247 285 L CA 0.170 54.917 54.840 -0.155 0.000 1.038 285 L CB 0.107 41.948 42.059 -0.363 0.000 1.380 285 L HN 0.351 nan 8.230 nan 0.000 0.548 286 A N 0.478 123.319 122.820 0.035 0.000 1.883 286 A HA -0.258 4.084 4.320 0.036 0.000 0.217 286 A C 1.920 179.612 177.584 0.181 0.000 1.186 286 A CA 1.822 53.921 52.037 0.103 0.000 0.624 286 A CB -0.709 18.338 19.000 0.077 0.000 0.822 286 A HN 0.709 nan 8.150 nan 0.000 0.444 287 W N 0.937 122.249 121.300 0.020 0.000 2.335 287 W HA -0.199 4.483 4.660 0.036 0.000 0.311 287 W C 1.909 178.473 176.519 0.075 0.000 1.213 287 W CA 2.234 59.601 57.345 0.037 0.000 1.274 287 W CB -0.250 29.222 29.460 0.020 0.000 1.148 287 W HN 0.421 nan 8.180 nan 0.000 0.498 288 E N -0.548 119.732 120.200 0.134 0.000 2.051 288 E HA -0.229 4.142 4.350 0.036 0.000 0.192 288 E C 1.962 178.511 176.600 -0.086 0.000 0.991 288 E CA 1.906 58.258 56.400 -0.080 0.000 0.799 288 E CB -1.048 28.603 29.700 -0.082 0.000 0.748 288 E HN 0.352 nan 8.360 nan 0.000 0.449 289 F N 0.564 120.433 119.950 -0.135 0.000 2.186 289 F HA -0.137 4.413 4.527 0.037 0.000 0.299 289 F C 2.090 177.878 175.800 -0.021 0.000 1.090 289 F CA 1.166 59.135 58.000 -0.052 0.000 1.307 289 F CB 0.048 39.040 39.000 -0.014 0.000 1.019 289 F HN -0.105 nan 8.300 nan 0.000 0.489 290 S N -0.437 115.260 115.700 -0.005 0.000 2.406 290 S HA -0.055 4.437 4.470 0.036 0.000 0.224 290 S C 1.652 176.075 174.600 -0.296 0.000 1.030 290 S CA 1.008 59.135 58.200 -0.122 0.000 0.958 290 S CB -0.091 63.091 63.200 -0.031 0.000 0.811 290 S HN 0.405 nan 8.310 nan 0.000 0.489 291 E N 0.218 120.131 120.200 -0.479 0.000 2.389 291 E HA 0.119 4.491 4.350 0.036 0.000 0.199 291 E C 0.048 176.025 176.600 -1.038 0.000 0.978 291 E CA 0.522 56.470 56.400 -0.754 0.000 0.912 291 E CB 0.178 29.258 29.700 -1.034 0.000 0.907 291 E HN 0.544 nan 8.360 nan 0.000 0.494 292 H N -0.314 118.494 119.070 -0.437 0.000 2.767 292 H HA 0.109 4.687 4.556 0.036 0.000 0.235 292 H C 1.167 176.377 175.328 -0.196 0.000 1.256 292 H CA -0.204 55.663 56.048 -0.302 0.000 0.957 292 H CB 0.184 29.733 29.762 -0.357 0.000 2.117 292 H HN 0.198 nan 8.280 nan 0.000 0.602 293 H N 1.902 120.812 119.070 -0.266 0.000 2.265 293 H HA -0.144 4.434 4.556 0.036 0.000 0.293 293 H C 0.423 175.658 175.328 -0.155 0.000 1.089 293 H CA 2.069 57.934 56.048 -0.304 0.000 1.244 293 H CB 0.375 29.847 29.762 -0.483 0.000 1.355 293 H HN 0.316 nan 8.280 nan 0.000 0.485 294 D N 0.298 120.700 120.400 0.002 0.000 2.378 294 D HA -0.072 4.590 4.640 0.036 0.000 0.222 294 D C 1.641 177.930 176.300 -0.018 0.000 0.980 294 D CA 0.625 54.626 54.000 0.001 0.000 0.907 294 D CB -0.251 40.570 40.800 0.035 0.000 0.899 294 D HN 0.636 nan 8.370 nan 0.000 0.527 295 E N -0.282 119.916 120.200 -0.003 0.000 2.474 295 E HA 0.130 4.502 4.350 0.036 0.000 0.194 295 E C 0.487 177.130 176.600 0.072 0.000 1.041 295 E CA -0.152 56.274 56.400 0.043 0.000 0.874 295 E CB 0.725 30.472 29.700 0.079 0.000 0.914 295 E HN 0.267 nan 8.360 nan 0.000 0.498 296 I N 2.092 122.681 120.570 0.031 0.000 2.496 296 I HA 0.064 4.255 4.170 0.036 0.000 0.285 296 I C 0.594 176.753 176.117 0.071 0.000 1.080 296 I CA -0.672 60.691 61.300 0.105 0.000 1.404 296 I CB 0.775 38.777 38.000 0.004 0.000 1.403 296 I HN 0.001 nan 8.210 nan 0.000 0.539 297 A N 8.474 131.370 122.820 0.127 0.000 2.587 297 A HA 0.085 4.427 4.320 0.036 0.000 0.233 297 A C -1.420 176.199 177.584 0.058 0.000 1.049 297 A CA -0.707 51.378 52.037 0.079 0.000 0.754 297 A CB -0.391 18.660 19.000 0.084 0.000 0.977 297 A HN 0.603 nan 8.150 nan 0.000 0.509 298 P HA -0.286 nan 4.420 nan 0.000 0.219 298 P C 1.609 178.936 177.300 0.044 0.000 1.159 298 P CA 2.406 65.525 63.100 0.032 0.000 0.944 298 P CB -0.120 31.598 31.700 0.030 0.000 0.792 299 M N -2.560 117.072 119.600 0.053 0.000 2.132 299 M HA -0.122 4.380 4.480 0.036 0.000 0.263 299 M C 2.145 178.490 176.300 0.076 0.000 1.065 299 M CA 1.448 56.784 55.300 0.060 0.000 1.122 299 M CB -0.924 31.710 32.600 0.058 0.000 1.365 299 M HN -0.037 nan 8.290 nan 0.000 0.411 300 L N 0.516 121.797 121.223 0.096 0.000 2.056 300 L HA -0.108 4.254 4.340 0.036 0.000 0.207 300 L C 2.483 179.399 176.870 0.078 0.000 1.078 300 L CA 1.814 56.726 54.840 0.120 0.000 0.749 300 L CB -0.705 41.467 42.059 0.188 0.000 0.901 300 L HN 0.168 nan 8.230 nan 0.000 0.433 301 R N -0.579 119.953 120.500 0.054 0.000 2.096 301 R HA -0.150 4.212 4.340 0.036 0.000 0.235 301 R C 2.139 178.487 176.300 0.080 0.000 1.127 301 R CA 1.395 57.501 56.100 0.010 0.000 0.968 301 R CB -0.328 29.914 30.300 -0.096 0.000 0.861 301 R HN 0.525 nan 8.270 nan 0.000 0.440 302 A N 0.298 123.163 122.820 0.074 0.000 1.873 302 A HA -0.163 4.179 4.320 0.036 0.000 0.215 302 A C 2.162 179.803 177.584 0.096 0.000 1.186 302 A CA 1.823 53.915 52.037 0.091 0.000 0.616 302 A CB -0.678 18.363 19.000 0.069 0.000 0.823 302 A HN 0.582 nan 8.150 nan 0.000 0.442 303 S N 0.183 115.929 115.700 0.076 0.000 2.382 303 S HA -0.105 4.386 4.470 0.036 0.000 0.228 303 S C 1.876 176.504 174.600 0.046 0.000 1.027 303 S CA 1.488 59.726 58.200 0.063 0.000 0.991 303 S CB -0.741 62.499 63.200 0.065 0.000 0.823 303 S HN 0.418 nan 8.310 nan 0.000 0.469 304 L N 1.500 122.728 121.223 0.007 0.000 2.056 304 L HA -0.089 4.273 4.340 0.036 0.000 0.207 304 L C 2.497 179.479 176.870 0.187 0.000 1.078 304 L CA 1.507 56.266 54.840 -0.135 0.000 0.749 304 L CB -0.683 41.214 42.059 -0.270 0.000 0.901 304 L HN 0.213 nan 8.230 nan 0.000 0.433 305 D N 0.255 120.839 120.400 0.307 0.000 2.149 305 D HA -0.164 4.498 4.640 0.036 0.000 0.198 305 D C 2.140 178.558 176.300 0.197 0.000 0.990 305 D CA 1.535 55.746 54.000 0.351 0.000 0.839 305 D CB 0.005 40.993 40.800 0.314 0.000 0.948 305 D HN 0.318 nan 8.370 nan 0.000 0.460 306 A N -0.000 122.906 122.820 0.143 0.000 2.167 306 A HA -0.031 4.310 4.320 0.036 0.000 0.214 306 A C 1.845 179.477 177.584 0.081 0.000 1.151 306 A CA 1.622 53.716 52.037 0.094 0.000 0.735 306 A CB -0.272 18.773 19.000 0.074 0.000 0.802 306 A HN 0.313 nan 8.150 nan 0.000 0.467 307 T N -2.966 111.661 114.554 0.121 0.000 3.132 307 T HA 0.217 4.589 4.350 0.036 0.000 0.274 307 T C 1.247 175.917 174.700 -0.050 0.000 1.011 307 T CA 0.546 62.707 62.100 0.101 0.000 0.899 307 T CB -0.359 68.596 68.868 0.145 0.000 1.089 307 T HN 0.562 nan 8.240 nan 0.000 0.543 308 V N -0.664 119.137 119.914 -0.188 0.000 2.720 308 V HA 0.179 4.321 4.120 0.036 0.000 0.256 308 V C 2.321 178.227 176.094 -0.314 0.000 1.082 308 V CA 1.728 63.687 62.300 -0.568 0.000 1.101 308 V CB -1.359 30.294 31.823 -0.283 0.000 0.693 308 V HN 0.493 nan 8.190 nan 0.000 0.479 309 G N -0.026 108.695 108.800 -0.131 0.000 2.813 309 G HA2 0.190 4.172 3.960 0.036 0.000 0.209 309 G HA3 0.190 4.172 3.960 0.036 0.000 0.209 309 G C 0.636 175.532 174.900 -0.007 0.000 1.150 309 G CA -0.363 44.702 45.100 -0.058 0.000 0.785 309 G HN 0.519 nan 8.290 nan 0.000 0.535 310 L N 2.421 123.657 121.223 0.021 0.000 2.540 310 L HA 0.161 4.523 4.340 0.036 0.000 0.276 310 L C 1.148 178.153 176.870 0.225 0.000 1.212 310 L CA -0.037 54.881 54.840 0.131 0.000 0.893 310 L CB 0.377 42.574 42.059 0.231 0.000 1.138 310 L HN 0.158 nan 8.230 nan 0.000 0.491 311 T N -0.090 114.530 114.554 0.111 0.000 2.943 311 T HA 0.366 4.738 4.350 0.036 0.000 0.284 311 T C -1.970 172.649 174.700 -0.136 0.000 1.015 311 T CA -2.064 60.084 62.100 0.081 0.000 1.042 311 T CB 1.909 70.790 68.868 0.022 0.000 1.055 311 T HN 0.271 nan 8.240 nan 0.000 0.500 312 P HA -0.049 nan 4.420 nan 0.000 0.218 312 P C 1.497 178.710 177.300 -0.144 0.000 1.148 312 P CA 0.922 63.886 63.100 -0.226 0.000 0.822 312 P CB 0.131 31.862 31.700 0.051 0.000 0.784 313 K N 0.698 121.049 120.400 -0.082 0.000 2.002 313 K HA -0.209 4.133 4.320 0.036 0.000 0.209 313 K C 2.114 178.656 176.600 -0.097 0.000 1.048 313 K CA 1.906 58.152 56.287 -0.069 0.000 0.930 313 K CB -0.265 32.211 32.500 -0.040 0.000 0.714 313 K HN 0.195 nan 8.250 nan 0.000 0.438 314 E N -0.688 119.453 120.200 -0.097 0.000 2.208 314 E HA -0.230 4.141 4.350 0.036 0.000 0.193 314 E C 1.989 178.513 176.600 -0.126 0.000 0.988 314 E CA 0.788 57.132 56.400 -0.093 0.000 0.828 314 E CB -0.499 29.165 29.700 -0.060 0.000 0.763 314 E HN 0.464 nan 8.360 nan 0.000 0.478 315 Y N 2.561 122.628 120.300 -0.390 0.000 2.163 315 Y HA -0.157 4.415 4.550 0.037 0.000 0.288 315 Y C 1.599 177.309 175.900 -0.317 0.000 1.136 315 Y CA 1.975 59.777 58.100 -0.498 0.000 1.147 315 Y CB -0.215 37.557 38.460 -1.148 0.000 0.987 315 Y HN -0.072 nan 8.280 nan 0.000 0.509 316 D N 0.112 120.293 120.400 -0.365 0.000 2.117 316 D HA -0.172 4.490 4.640 0.036 0.000 0.197 316 D C 2.027 178.162 176.300 -0.275 0.000 0.987 316 D CA 1.635 55.416 54.000 -0.365 0.000 0.829 316 D CB -0.283 40.406 40.800 -0.186 0.000 0.961 316 D HN 0.428 nan 8.370 nan 0.000 0.460 317 E N 0.971 121.054 120.200 -0.195 0.000 2.110 317 E HA -0.085 4.287 4.350 0.036 0.000 0.193 317 E C 1.862 178.365 176.600 -0.162 0.000 0.988 317 E CA 1.344 57.656 56.400 -0.146 0.000 0.804 317 E CB -0.341 29.296 29.700 -0.104 0.000 0.745 317 E HN 0.156 nan 8.360 nan 0.000 0.458 318 A N 0.738 123.445 122.820 -0.190 0.000 1.902 318 A HA -0.163 4.179 4.320 0.036 0.000 0.217 318 A C 2.220 179.673 177.584 -0.218 0.000 1.181 318 A CA 1.609 53.538 52.037 -0.179 0.000 0.623 318 A CB -0.448 18.456 19.000 -0.160 0.000 0.818 318 A HN 0.210 nan 8.150 nan 0.000 0.443 319 R N -0.639 119.671 120.500 -0.316 0.000 2.115 319 R HA -0.072 4.290 4.340 0.036 0.000 0.230 319 R C 2.392 178.570 176.300 -0.203 0.000 1.111 319 R CA 1.297 57.216 56.100 -0.301 0.000 0.976 319 R CB -0.258 29.785 30.300 -0.428 0.000 0.870 319 R HN 0.534 nan 8.270 nan 0.000 0.445 320 R N 0.532 120.924 120.500 -0.180 0.000 2.073 320 R HA -0.071 4.290 4.340 0.036 0.000 0.234 320 R C 2.303 178.538 176.300 -0.109 0.000 1.134 320 R CA 1.352 57.376 56.100 -0.127 0.000 0.952 320 R CB -0.437 29.797 30.300 -0.109 0.000 0.850 320 R HN 0.197 nan 8.270 nan 0.000 0.433 321 I N 0.526 121.029 120.570 -0.113 0.000 2.208 321 I HA -0.207 3.984 4.170 0.036 0.000 0.245 321 I C 2.590 178.647 176.117 -0.100 0.000 1.097 321 I CA 1.508 62.750 61.300 -0.096 0.000 1.363 321 I CB -0.773 37.171 38.000 -0.094 0.000 1.051 321 I HN 0.345 nan 8.210 nan 0.000 0.413 322 G N 0.744 109.471 108.800 -0.122 0.000 2.446 322 G HA2 -0.246 3.736 3.960 0.036 0.000 0.217 322 G HA3 -0.246 3.736 3.960 0.036 0.000 0.217 322 G C 1.808 176.647 174.900 -0.101 0.000 1.168 322 G CA 0.569 45.597 45.100 -0.121 0.000 0.771 322 G HN 0.294 nan 8.290 nan 0.000 0.551 323 R N -0.083 120.357 120.500 -0.100 0.000 2.073 323 R HA -0.001 4.361 4.340 0.036 0.000 0.234 323 R C 2.853 179.117 176.300 -0.061 0.000 1.134 323 R CA 1.259 57.311 56.100 -0.080 0.000 0.952 323 R CB -0.291 29.963 30.300 -0.077 0.000 0.850 323 R HN 0.272 nan 8.270 nan 0.000 0.433 324 R N -0.318 120.145 120.500 -0.061 0.000 2.091 324 R HA -0.109 4.253 4.340 0.036 0.000 0.238 324 R C 2.421 178.697 176.300 -0.040 0.000 1.136 324 R CA 1.408 57.479 56.100 -0.048 0.000 0.959 324 R CB -0.567 29.702 30.300 -0.052 0.000 0.856 324 R HN 0.362 nan 8.270 nan 0.000 0.437 325 G N 0.976 109.745 108.800 -0.052 0.000 2.446 325 G HA2 -0.272 3.709 3.960 0.036 0.000 0.217 325 G HA3 -0.272 3.709 3.960 0.036 0.000 0.217 325 G C 1.380 176.274 174.900 -0.010 0.000 1.168 325 G CA 0.533 45.606 45.100 -0.045 0.000 0.771 325 G HN 0.257 nan 8.290 nan 0.000 0.551 326 R N -0.165 120.325 120.500 -0.016 0.000 2.073 326 R HA -0.028 4.334 4.340 0.036 0.000 0.234 326 R C 2.657 178.978 176.300 0.034 0.000 1.134 326 R CA 1.272 57.380 56.100 0.012 0.000 0.952 326 R CB -0.356 29.920 30.300 -0.039 0.000 0.850 326 R HN 0.308 nan 8.270 nan 0.000 0.433 327 R N 1.458 121.963 120.500 0.008 0.000 2.083 327 R HA -0.170 4.192 4.340 0.036 0.000 0.237 327 R C 1.683 178.007 176.300 0.041 0.000 1.137 327 R CA 1.828 57.939 56.100 0.018 0.000 0.951 327 R CB -0.007 30.292 30.300 -0.001 0.000 0.851 327 R HN 0.292 nan 8.270 nan 0.000 0.434 328 E N 0.048 120.267 120.200 0.032 0.000 2.358 328 E HA -0.140 4.232 4.350 0.036 0.000 0.195 328 E C 1.770 178.416 176.600 0.076 0.000 1.010 328 E CA 0.432 56.855 56.400 0.038 0.000 0.856 328 E CB 0.062 29.766 29.700 0.007 0.000 0.795 328 E HN 0.235 nan 8.360 nan 0.000 0.504 329 L N 0.485 121.777 121.223 0.115 0.000 2.109 329 L HA 0.047 4.408 4.340 0.036 0.000 0.207 329 L C 2.119 179.162 176.870 0.288 0.000 1.086 329 L CA 1.777 56.737 54.840 0.200 0.000 0.760 329 L CB -0.706 41.517 42.059 0.273 0.000 0.910 329 L HN 0.041 nan 8.230 nan 0.000 0.437 330 G N -0.751 108.198 108.800 0.249 0.000 2.442 330 G HA2 -0.274 3.708 3.960 0.036 0.000 0.219 330 G HA3 -0.274 3.708 3.960 0.036 0.000 0.219 330 G C 1.388 176.432 174.900 0.240 0.000 1.141 330 G CA 0.906 46.170 45.100 0.273 0.000 0.763 330 G HN 0.569 nan 8.290 nan 0.000 0.554 331 E N 0.044 120.332 120.200 0.147 0.000 2.153 331 E HA -0.080 4.292 4.350 0.036 0.000 0.194 331 E C 2.647 179.297 176.600 0.085 0.000 0.988 331 E CA 0.819 57.279 56.400 0.100 0.000 0.811 331 E CB -0.138 29.598 29.700 0.059 0.000 0.746 331 E HN 0.332 nan 8.360 nan 0.000 0.466 332 V N 0.701 120.653 119.914 0.063 0.000 2.392 332 V HA -0.224 3.917 4.120 0.036 0.000 0.249 332 V C 1.575 177.598 176.094 -0.119 0.000 1.059 332 V CA 1.516 63.782 62.300 -0.057 0.000 1.051 332 V CB -0.492 31.246 31.823 -0.142 0.000 0.658 332 V HN 0.224 nan 8.190 nan 0.000 0.455 333 F N 0.221 120.206 119.950 0.059 0.000 2.754 333 F HA 0.058 4.590 4.527 0.007 0.000 0.303 333 F C 2.024 177.847 175.800 0.038 0.000 1.196 333 F CA 0.413 58.441 58.000 0.046 0.000 1.416 333 F CB -0.387 38.648 39.000 0.058 0.000 1.092 333 F HN 0.260 nan 8.300 nan 0.000 0.541 334 E N -0.434 119.855 120.200 0.147 0.000 2.170 334 E HA -0.023 4.349 4.350 0.036 0.000 0.191 334 E C 2.357 178.999 176.600 0.069 0.000 0.981 334 E CA 0.801 57.263 56.400 0.103 0.000 0.830 334 E CB -0.091 29.652 29.700 0.071 0.000 0.775 334 E HN 0.449 nan 8.360 nan 0.000 0.470 335 G N 1.131 109.956 108.800 0.040 0.000 3.044 335 G HA2 0.158 4.140 3.960 0.036 0.000 0.223 335 G HA3 0.158 4.140 3.960 0.036 0.000 0.223 335 G C 0.379 175.287 174.900 0.013 0.000 1.123 335 G CA 0.175 45.286 45.100 0.019 0.000 0.765 335 G HN 0.118 nan 8.290 nan 0.000 0.546 336 V N -3.432 116.495 119.914 0.022 0.000 3.007 336 V HA 0.547 4.688 4.120 0.036 0.000 0.311 336 V C -0.093 176.073 176.094 0.120 0.000 1.120 336 V CA -0.856 61.454 62.300 0.016 0.000 0.980 336 V CB 2.176 33.956 31.823 -0.072 0.000 1.033 336 V HN -0.069 nan 8.190 nan 0.000 0.429 337 D N 1.311 121.760 120.400 0.081 0.000 2.183 337 D HA 0.114 4.776 4.640 0.036 0.000 0.205 337 D C 0.782 177.114 176.300 0.054 0.000 0.962 337 D CA 2.073 56.121 54.000 0.080 0.000 0.849 337 D CB 1.076 41.885 40.800 0.015 0.000 0.978 337 D HN 0.817 nan 8.370 nan 0.000 0.488 338 V N -2.391 117.543 119.914 0.033 0.000 3.206 338 V HA 0.550 4.692 4.120 0.036 0.000 0.305 338 V C -1.162 174.927 176.094 -0.007 0.000 1.257 338 V CA -1.136 61.213 62.300 0.081 0.000 1.057 338 V CB 2.474 34.241 31.823 -0.094 0.000 1.075 338 V HN -0.155 nan 8.190 nan 0.000 0.443 339 L N 1.937 123.136 121.223 -0.041 0.000 2.334 339 L HA 0.739 5.101 4.340 0.036 0.000 0.273 339 L C -1.071 175.689 176.870 -0.183 0.000 1.013 339 L CA -0.770 53.963 54.840 -0.177 0.000 0.816 339 L CB 1.889 43.778 42.059 -0.283 0.000 1.278 339 L HN 0.671 nan 8.230 nan 0.000 0.431 340 L N 1.630 122.746 121.223 -0.179 0.000 2.385 340 L HA 0.784 5.146 4.340 0.036 0.000 0.273 340 L C -0.412 176.320 176.870 -0.230 0.000 0.990 340 L CA 0.413 55.146 54.840 -0.179 0.000 0.821 340 L CB 2.010 43.993 42.059 -0.127 0.000 1.279 340 L HN 0.678 nan 8.230 nan 0.000 0.412 341 T N 2.111 116.512 114.554 -0.255 0.000 2.648 341 T HA 0.500 4.871 4.350 0.036 0.000 0.304 341 T C -1.229 173.289 174.700 -0.303 0.000 1.312 341 T CA -0.417 61.480 62.100 -0.338 0.000 1.023 341 T CB 0.329 69.109 68.868 -0.147 0.000 1.612 341 T HN 0.306 nan 8.240 nan 0.000 0.487 342 Y N 0.918 121.161 120.300 -0.095 0.000 2.379 342 Y HA 0.339 4.914 4.550 0.041 0.000 0.337 342 Y C 1.891 177.764 175.900 -0.046 0.000 1.238 342 Y CA -0.137 57.873 58.100 -0.149 0.000 1.405 342 Y CB 0.714 38.931 38.460 -0.405 0.000 1.310 342 Y HN 0.489 nan 8.280 nan 0.000 0.569 343 S N 0.508 116.280 115.700 0.120 0.000 2.503 343 S HA 0.462 4.954 4.470 0.036 0.000 0.215 343 S C 0.324 174.979 174.600 0.092 0.000 1.003 343 S CA 0.364 58.616 58.200 0.087 0.000 0.910 343 S CB 0.224 63.442 63.200 0.031 0.000 0.790 343 S HN 0.742 nan 8.310 nan 0.000 0.514 344 A N 0.813 123.691 122.820 0.096 0.000 2.581 344 A HA 0.660 5.002 4.320 0.036 0.000 0.290 344 A C -2.649 174.973 177.584 0.062 0.000 1.119 344 A CA -1.053 51.056 52.037 0.120 0.000 0.670 344 A CB -0.048 19.006 19.000 0.090 0.000 1.280 344 A HN -0.074 nan 8.150 nan 0.000 0.425 345 P HA 0.177 nan 4.420 nan 0.000 0.219 345 P C 0.832 178.102 177.300 -0.050 0.000 1.150 345 P CA 1.944 65.094 63.100 0.083 0.000 0.814 345 P CB 0.270 32.114 31.700 0.239 0.000 0.787 346 G N -2.387 106.453 108.800 0.067 0.000 2.393 346 G HA2 0.300 4.282 3.960 0.036 0.000 0.264 346 G HA3 0.300 4.282 3.960 0.036 0.000 0.264 346 G C -0.991 173.947 174.900 0.064 0.000 1.221 346 G CA -0.053 45.057 45.100 0.018 0.000 0.912 346 G HN 0.045 nan 8.290 nan 0.000 0.483 347 T N -0.561 113.975 114.554 -0.030 0.000 2.856 347 T HA 0.548 4.920 4.350 0.036 0.000 0.306 347 T C 0.916 175.428 174.700 -0.313 0.000 1.062 347 T CA 0.683 62.714 62.100 -0.114 0.000 1.083 347 T CB 0.934 69.726 68.868 -0.127 0.000 0.984 347 T HN 1.956 nan 8.240 nan 0.000 0.542 348 A N 3.194 125.677 122.820 -0.562 0.000 2.540 348 A HA 0.432 4.774 4.320 0.036 0.000 0.239 348 A C -2.120 175.297 177.584 -0.278 0.000 1.061 348 A CA -1.085 50.384 52.037 -0.947 0.000 0.758 348 A CB -0.933 17.702 19.000 -0.607 0.000 0.991 348 A HN 0.721 nan 8.150 nan 0.000 0.502 349 P HA 0.319 nan 4.420 nan 0.000 0.271 349 P C -0.142 177.104 177.300 -0.090 0.000 1.218 349 P CA 0.088 63.147 63.100 -0.069 0.000 0.780 349 P CB 0.775 32.446 31.700 -0.049 0.000 0.901 350 A N 3.082 125.748 122.820 -0.256 0.000 2.498 350 A HA 0.029 4.371 4.320 0.036 0.000 0.239 350 A C 1.474 178.911 177.584 -0.244 0.000 1.068 350 A CA 0.082 51.790 52.037 -0.548 0.000 0.766 350 A CB 0.006 18.734 19.000 -0.452 0.000 1.003 350 A HN 0.453 nan 8.150 nan 0.000 0.497 351 K N 2.017 122.294 120.400 -0.205 0.000 2.160 351 K HA -0.217 4.125 4.320 0.036 0.000 0.206 351 K C 2.099 178.657 176.600 -0.069 0.000 1.047 351 K CA 1.626 57.861 56.287 -0.087 0.000 0.930 351 K CB -0.641 31.827 32.500 -0.053 0.000 0.720 351 K HN 0.833 nan 8.250 nan 0.000 0.450 352 A N 1.152 123.917 122.820 -0.091 0.000 2.076 352 A HA -0.107 4.235 4.320 0.036 0.000 0.220 352 A C 2.090 179.648 177.584 -0.043 0.000 1.160 352 A CA 1.027 53.028 52.037 -0.060 0.000 0.653 352 A CB -0.502 18.458 19.000 -0.066 0.000 0.801 352 A HN 0.220 nan 8.150 nan 0.000 0.455 353 L N -1.484 119.709 121.223 -0.049 0.000 2.552 353 L HA 0.097 4.459 4.340 0.036 0.000 0.227 353 L C 1.564 178.430 176.870 -0.007 0.000 1.146 353 L CA 0.334 55.159 54.840 -0.025 0.000 0.858 353 L CB -0.548 41.495 42.059 -0.026 0.000 0.969 353 L HN 0.534 nan 8.230 nan 0.000 0.451 354 A N 0.492 123.308 122.820 -0.008 0.000 2.687 354 A HA -0.208 4.134 4.320 0.036 0.000 0.299 354 A C 0.530 178.127 177.584 0.022 0.000 1.497 354 A CA 0.967 53.008 52.037 0.007 0.000 0.751 354 A CB -1.721 17.284 19.000 0.008 0.000 1.048 354 A HN 0.397 nan 8.150 nan 0.000 0.464 355 S N -1.086 114.631 115.700 0.029 0.000 2.575 355 S HA 0.638 5.130 4.470 0.036 0.000 0.278 355 S C 0.813 175.464 174.600 0.084 0.000 1.139 355 S CA 0.603 58.835 58.200 0.053 0.000 0.954 355 S CB 1.451 64.683 63.200 0.053 0.000 1.054 355 S HN 1.536 nan 8.310 nan 0.000 0.483 356 T N 1.005 115.622 114.554 0.105 0.000 3.169 356 T HA 0.529 4.901 4.350 0.036 0.000 0.250 356 T C 1.031 175.888 174.700 0.262 0.000 1.111 356 T CA 0.430 62.626 62.100 0.160 0.000 1.010 356 T CB -0.823 68.110 68.868 0.109 0.000 0.984 356 T HN 1.794 nan 8.240 nan 0.000 0.537 357 G N 0.845 109.783 108.800 0.230 0.000 2.675 357 G HA2 0.000 3.982 3.960 0.036 0.000 0.686 357 G HA3 0.000 3.982 3.960 0.036 0.000 0.686 357 G C -1.274 173.724 174.900 0.163 0.000 1.215 357 G CA -0.616 44.657 45.100 0.288 0.000 0.777 357 G HN 0.438 nan 8.290 nan 0.000 0.638 358 D N 1.339 121.833 120.400 0.157 0.000 2.277 358 D HA 0.529 5.191 4.640 0.036 0.000 0.249 358 D C -1.137 175.216 176.300 0.089 0.000 1.134 358 D CA -2.071 51.989 54.000 0.100 0.000 0.863 358 D CB 1.520 42.379 40.800 0.097 0.000 1.143 358 D HN 0.082 nan 8.370 nan 0.000 0.458 359 P HA 0.089 nan 4.420 nan 0.000 0.255 359 P C 0.868 178.181 177.300 0.021 0.000 1.357 359 P CA 0.025 63.137 63.100 0.019 0.000 0.839 359 P CB -0.078 31.598 31.700 -0.040 0.000 1.356 360 R N -0.794 119.715 120.500 0.015 0.000 2.159 360 R HA -0.158 4.204 4.340 0.036 0.000 0.237 360 R C 0.738 177.037 176.300 -0.001 0.000 1.131 360 R CA 1.535 57.654 56.100 0.032 0.000 0.982 360 R CB -1.342 28.921 30.300 -0.062 0.000 0.868 360 R HN 0.227 nan 8.270 nan 0.000 0.453 361 Y N 0.415 120.844 120.300 0.215 0.000 2.457 361 Y HA 0.252 4.823 4.550 0.035 0.000 0.263 361 Y C 1.390 177.490 175.900 0.333 0.000 1.164 361 Y CA -0.180 58.071 58.100 0.251 0.000 1.274 361 Y CB 0.275 38.866 38.460 0.218 0.000 1.097 361 Y HN 0.162 nan 8.280 nan 0.000 0.523 362 N N 0.089 118.985 118.700 0.326 0.000 2.606 362 N HA -0.021 4.741 4.740 0.036 0.000 0.208 362 N C 1.954 177.566 175.510 0.169 0.000 1.046 362 N CA 0.467 53.702 53.050 0.308 0.000 0.891 362 N CB -0.282 38.303 38.487 0.164 0.000 1.344 362 N HN 0.352 nan 8.380 nan 0.000 0.437 363 R N 1.577 122.038 120.500 -0.064 0.000 2.133 363 R HA -0.133 4.229 4.340 0.036 0.000 0.247 363 R C 2.033 178.153 176.300 -0.301 0.000 1.151 363 R CA 1.338 57.190 56.100 -0.413 0.000 0.971 363 R CB -0.830 28.892 30.300 -0.963 0.000 0.866 363 R HN 0.126 nan 8.270 nan 0.000 0.447 364 L N 0.655 121.744 121.223 -0.224 0.000 2.012 364 L HA -0.093 4.269 4.340 0.036 0.000 0.210 364 L C 1.896 178.547 176.870 -0.365 0.000 1.073 364 L CA 1.631 56.264 54.840 -0.345 0.000 0.748 364 L CB -0.640 41.090 42.059 -0.549 0.000 0.891 364 L HN 0.310 nan 8.230 nan 0.000 0.431 365 W N -0.629 120.765 121.300 0.157 0.000 2.425 365 W HA -0.078 4.606 4.660 0.040 0.000 0.277 365 W C 2.352 178.940 176.519 0.116 0.000 1.231 365 W CA 1.002 58.433 57.345 0.144 0.000 1.248 365 W CB -1.113 28.435 29.460 0.147 0.000 1.117 365 W HN 0.050 nan 8.180 nan 0.000 0.568 366 T N 1.208 115.901 114.554 0.230 0.000 2.821 366 T HA -0.179 4.192 4.350 0.036 0.000 0.267 366 T C 1.748 176.482 174.700 0.057 0.000 1.046 366 T CA 1.250 63.452 62.100 0.169 0.000 1.139 366 T CB -0.453 68.512 68.868 0.162 0.000 0.871 366 T HN 0.006 nan 8.240 nan 0.000 0.454 367 L N 0.664 121.918 121.223 0.052 0.000 2.072 367 L HA 0.122 4.484 4.340 0.036 0.000 0.205 367 L C 2.113 178.932 176.870 -0.084 0.000 1.079 367 L CA 1.556 56.357 54.840 -0.065 0.000 0.752 367 L CB -0.616 41.431 42.059 -0.020 0.000 0.906 367 L HN 0.107 nan 8.230 nan 0.000 0.436 368 M N -0.657 118.955 119.600 0.019 0.000 2.175 368 M HA 0.088 4.590 4.480 0.036 0.000 0.264 368 M C 1.907 178.287 176.300 0.132 0.000 1.063 368 M CA 1.341 56.689 55.300 0.080 0.000 1.119 368 M CB -1.576 31.152 32.600 0.212 0.000 1.377 368 M HN 0.513 nan 8.290 nan 0.000 0.415 369 G N 0.166 109.096 108.800 0.215 0.000 2.213 369 G HA2 -0.235 3.747 3.960 0.036 0.000 0.236 369 G HA3 -0.235 3.747 3.960 0.036 0.000 0.236 369 G C 0.094 175.309 174.900 0.526 0.000 0.991 369 G CA 0.261 45.587 45.100 0.377 0.000 0.629 369 G HN 0.484 nan 8.290 nan 0.000 0.517 370 N N 2.595 121.567 118.700 0.452 0.000 2.374 370 N HA 0.414 5.176 4.740 0.036 0.000 0.241 370 N C -2.091 173.529 175.510 0.183 0.000 1.262 370 N CA -0.144 53.093 53.050 0.311 0.000 0.880 370 N CB 0.556 39.217 38.487 0.290 0.000 1.105 370 N HN 0.269 nan 8.380 nan 0.000 0.438 371 P HA 0.145 nan 4.420 nan 0.000 0.276 371 P C -0.780 176.528 177.300 0.013 0.000 1.235 371 P CA -0.190 62.927 63.100 0.028 0.000 0.772 371 P CB 0.477 32.170 31.700 -0.012 0.000 0.871 372 C N 3.332 122.639 119.300 0.011 0.000 2.455 372 C HA 0.625 5.107 4.460 0.036 0.000 0.320 372 C C 0.047 175.005 174.990 -0.053 0.000 1.226 372 C CA -0.434 58.563 59.018 -0.034 0.000 1.569 372 C CB 1.614 29.354 27.740 -0.000 0.000 2.200 372 C HN 0.355 nan 8.230 nan 0.000 0.491 373 V N 3.418 123.291 119.914 -0.067 0.000 2.638 373 V HA 0.464 4.606 4.120 0.036 0.000 0.306 373 V C -0.324 175.729 176.094 -0.068 0.000 1.052 373 V CA -0.542 61.717 62.300 -0.070 0.000 0.885 373 V CB 1.818 33.615 31.823 -0.043 0.000 0.999 373 V HN 0.894 nan 8.190 nan 0.000 0.424 374 N N 2.895 121.549 118.700 -0.076 0.000 2.455 374 N HA 0.463 5.225 4.740 0.036 0.000 0.280 374 N C -1.396 174.090 175.510 -0.040 0.000 1.055 374 N CA -0.205 52.813 53.050 -0.054 0.000 0.961 374 N CB 1.907 40.363 38.487 -0.051 0.000 1.121 374 N HN 0.432 nan 8.380 nan 0.000 0.476 375 V N 5.390 125.288 119.914 -0.027 0.000 2.326 375 V HA 0.328 4.470 4.120 0.036 0.000 0.281 375 V C -2.185 173.899 176.094 -0.016 0.000 1.015 375 V CA -1.763 60.525 62.300 -0.019 0.000 0.823 375 V CB 1.393 33.210 31.823 -0.010 0.000 1.009 375 V HN 0.679 nan 8.190 nan 0.000 0.436 376 P HA 0.086 nan 4.420 nan 0.000 0.264 376 P C 0.411 177.699 177.300 -0.020 0.000 1.193 376 P CA 0.517 63.609 63.100 -0.014 0.000 0.763 376 P CB 1.141 32.836 31.700 -0.009 0.000 0.810 377 V N 3.139 123.040 119.914 -0.022 0.000 2.950 377 V HA 0.203 4.344 4.120 0.036 0.000 0.231 377 V C 0.601 176.678 176.094 -0.028 0.000 1.205 377 V CA 1.064 63.349 62.300 -0.024 0.000 1.239 377 V CB -0.368 31.443 31.823 -0.020 0.000 1.050 377 V HN 0.444 nan 8.190 nan 0.000 0.498 378 L N -2.144 119.059 121.223 -0.033 0.000 2.828 378 L HA 0.705 5.067 4.340 0.036 0.000 0.264 378 L C -1.255 175.581 176.870 -0.057 0.000 1.106 378 L CA -1.059 53.758 54.840 -0.038 0.000 0.955 378 L CB 1.522 43.563 42.059 -0.030 0.000 1.558 378 L HN -0.093 nan 8.230 nan 0.000 0.386 379 K N 0.025 120.390 120.400 -0.058 0.000 2.427 379 K HA 0.822 5.164 4.320 0.036 0.000 0.252 379 K C -1.686 174.876 176.600 -0.063 0.000 0.931 379 K CA -0.816 55.422 56.287 -0.080 0.000 0.793 379 K CB 2.812 35.258 32.500 -0.091 0.000 1.211 379 K HN 0.431 nan 8.250 nan 0.000 0.426 380 V N 1.694 121.565 119.914 -0.072 0.000 2.409 380 V HA 0.425 4.566 4.120 0.036 0.000 0.291 380 V C 0.896 176.947 176.094 -0.073 0.000 1.020 380 V CA -0.265 62.000 62.300 -0.059 0.000 0.848 380 V CB 1.079 32.871 31.823 -0.052 0.000 0.990 380 V HN 1.062 nan 8.190 nan 0.000 0.430 381 G N 3.685 112.451 108.800 -0.057 0.000 2.225 381 G HA2 0.007 3.989 3.960 0.036 0.000 0.267 381 G HA3 0.007 3.989 3.960 0.036 0.000 0.267 381 G C 1.187 176.040 174.900 -0.079 0.000 1.024 381 G CA 0.812 45.877 45.100 -0.059 0.000 0.784 381 G HN 2.276 nan 8.290 nan 0.000 0.507 382 G N -2.377 106.380 108.800 -0.072 0.000 2.199 382 G HA2 -0.168 3.814 3.960 0.036 0.000 0.254 382 G HA3 -0.168 3.814 3.960 0.036 0.000 0.254 382 G C 0.280 175.113 174.900 -0.112 0.000 0.982 382 G CA 0.506 45.567 45.100 -0.065 0.000 0.632 382 G HN 1.226 nan 8.290 nan 0.000 0.529 383 L N 1.414 122.536 121.223 -0.168 0.000 2.275 383 L HA 0.453 4.814 4.340 0.036 0.000 0.288 383 L C -1.951 174.796 176.870 -0.204 0.000 1.046 383 L CA -1.900 52.806 54.840 -0.224 0.000 0.805 383 L CB 0.875 42.762 42.059 -0.287 0.000 1.193 383 L HN -0.119 nan 8.230 nan 0.000 0.426 384 P HA 0.186 nan 4.420 nan 0.000 0.268 384 P C -0.615 176.638 177.300 -0.078 0.000 1.208 384 P CA 0.107 63.075 63.100 -0.220 0.000 0.777 384 P CB 0.799 32.295 31.700 -0.338 0.000 0.875 385 I N 1.487 122.029 120.570 -0.047 0.000 2.607 385 I HA 0.518 4.710 4.170 0.036 0.000 0.290 385 I C 0.476 176.595 176.117 0.004 0.000 1.129 385 I CA -0.154 61.148 61.300 0.003 0.000 1.042 385 I CB 1.772 39.768 38.000 -0.006 0.000 1.242 385 I HN 0.446 nan 8.210 nan 0.000 0.421 386 G N 4.530 113.345 108.800 0.026 0.000 2.818 386 G HA2 0.792 4.774 3.960 0.036 0.000 0.286 386 G HA3 0.792 4.774 3.960 0.036 0.000 0.286 386 G C -1.028 173.880 174.900 0.013 0.000 1.364 386 G CA -0.544 44.562 45.100 0.011 0.000 0.938 386 G HN 0.482 nan 8.290 nan 0.000 0.490 387 V N -2.467 117.441 119.914 -0.010 0.000 2.960 387 V HA 0.783 4.924 4.120 0.036 0.000 0.315 387 V C -0.533 175.533 176.094 -0.046 0.000 1.087 387 V CA -1.059 61.221 62.300 -0.033 0.000 0.982 387 V CB 1.697 33.485 31.823 -0.058 0.000 1.039 387 V HN 0.821 nan 8.190 nan 0.000 0.437 388 Q N 1.653 121.408 119.800 -0.075 0.000 2.347 388 Q HA 0.634 4.996 4.340 0.036 0.000 0.262 388 Q C -1.559 174.352 176.000 -0.148 0.000 0.980 388 Q CA -0.573 55.170 55.803 -0.098 0.000 0.867 388 Q CB 1.958 30.641 28.738 -0.092 0.000 1.242 388 Q HN 0.809 nan 8.270 nan 0.000 0.453 389 V N 6.490 126.335 119.914 -0.115 0.000 2.432 389 V HA 0.414 4.555 4.120 0.036 0.000 0.275 389 V C -0.090 175.921 176.094 -0.139 0.000 1.043 389 V CA -0.270 61.965 62.300 -0.109 0.000 0.925 389 V CB 1.081 32.877 31.823 -0.046 0.000 0.985 389 V HN 0.705 nan 8.190 nan 0.000 0.466 390 I N 4.220 124.692 120.570 -0.163 0.000 2.498 390 I HA 0.775 4.967 4.170 0.036 0.000 0.290 390 I C 0.197 176.332 176.117 0.030 0.000 1.032 390 I CA -0.426 60.790 61.300 -0.140 0.000 1.073 390 I CB 1.944 39.714 38.000 -0.384 0.000 1.251 390 I HN 0.666 nan 8.210 nan 0.000 0.426 391 A N 5.850 128.644 122.820 -0.042 0.000 2.312 391 A HA 0.703 5.045 4.320 0.036 0.000 0.310 391 A C -0.214 177.005 177.584 -0.609 0.000 1.139 391 A CA -0.753 51.168 52.037 -0.193 0.000 0.886 391 A CB 1.167 20.066 19.000 -0.168 0.000 1.350 391 A HN 0.774 nan 8.150 nan 0.000 0.479 392 R N -0.267 119.638 120.500 -0.992 0.000 2.679 392 R HA 0.146 4.508 4.340 0.036 0.000 0.268 392 R C -0.631 175.490 176.300 -0.297 0.000 1.044 392 R CA -0.231 55.308 56.100 -0.935 0.000 1.105 392 R CB 0.072 29.995 30.300 -0.629 0.000 0.989 392 R HN 0.606 nan 8.270 nan 0.000 0.447 393 F N 3.246 123.067 119.950 -0.215 0.000 2.623 393 F HA 0.096 4.642 4.527 0.033 0.000 0.383 393 F C 1.284 177.059 175.800 -0.042 0.000 1.077 393 F CA 2.071 60.040 58.000 -0.053 0.000 1.268 393 F CB 0.456 39.466 39.000 0.016 0.000 1.053 393 F HN 0.857 nan 8.300 nan 0.000 0.571 394 G N 4.025 112.356 108.800 -0.780 0.000 2.176 394 G HA2 -0.315 3.667 3.960 0.036 0.000 0.253 394 G HA3 -0.315 3.667 3.960 0.036 0.000 0.253 394 G C 0.304 175.058 174.900 -0.243 0.000 0.979 394 G CA 0.175 44.975 45.100 -0.501 0.000 0.641 394 G HN 0.697 nan 8.290 nan 0.000 0.530 395 N N 0.886 119.473 118.700 -0.189 0.000 2.806 395 N HA 0.268 5.029 4.740 0.036 0.000 0.315 395 N C 0.204 175.690 175.510 -0.039 0.000 1.738 395 N CA 0.157 53.148 53.050 -0.098 0.000 0.993 395 N CB 0.565 39.012 38.487 -0.067 0.000 1.324 395 N HN 0.268 nan 8.380 nan 0.000 0.493 396 D N 1.222 121.612 120.400 -0.017 0.000 2.144 396 D HA -0.117 4.545 4.640 0.036 0.000 0.199 396 D C 2.045 178.468 176.300 0.205 0.000 0.984 396 D CA 0.911 54.980 54.000 0.116 0.000 0.834 396 D CB 0.203 41.168 40.800 0.276 0.000 0.955 396 D HN 0.356 nan 8.370 nan 0.000 0.465 397 A N 0.206 123.118 122.820 0.152 0.000 1.865 397 A HA -0.294 4.048 4.320 0.036 0.000 0.217 397 A C 2.032 179.734 177.584 0.197 0.000 1.191 397 A CA 1.919 54.059 52.037 0.172 0.000 0.623 397 A CB -1.134 17.855 19.000 -0.017 0.000 0.826 397 A HN 0.470 nan 8.150 nan 0.000 0.444 398 H N -0.964 118.120 119.070 0.023 0.000 2.457 398 H HA 0.029 4.582 4.556 -0.004 0.000 0.294 398 H C 2.250 177.604 175.328 0.042 0.000 1.064 398 H CA 0.707 56.766 56.048 0.019 0.000 1.330 398 H CB 0.040 29.792 29.762 -0.018 0.000 1.395 398 H HN 0.507 nan 8.280 nan 0.000 0.541 399 A N 0.632 123.515 122.820 0.104 0.000 1.898 399 A HA -0.094 4.247 4.320 0.036 0.000 0.216 399 A C 2.391 180.029 177.584 0.091 0.000 1.181 399 A CA 0.893 52.946 52.037 0.027 0.000 0.620 399 A CB -0.573 18.431 19.000 0.007 0.000 0.819 399 A HN 0.399 nan 8.150 nan 0.000 0.442 400 L N -0.871 120.440 121.223 0.147 0.000 2.109 400 L HA -0.124 4.238 4.340 0.036 0.000 0.207 400 L C 3.058 180.096 176.870 0.280 0.000 1.086 400 L CA 0.895 55.839 54.840 0.174 0.000 0.760 400 L CB -0.462 41.707 42.059 0.182 0.000 0.910 400 L HN 0.424 nan 8.230 nan 0.000 0.437 401 A N -0.443 122.555 122.820 0.296 0.000 1.902 401 A HA -0.178 4.164 4.320 0.036 0.000 0.217 401 A C 2.352 180.121 177.584 0.309 0.000 1.181 401 A CA 2.267 54.493 52.037 0.316 0.000 0.623 401 A CB -0.806 18.333 19.000 0.233 0.000 0.818 401 A HN 0.364 nan 8.150 nan 0.000 0.443 402 T N 0.080 114.782 114.554 0.246 0.000 2.857 402 T HA 0.098 4.470 4.350 0.036 0.000 0.266 402 T C 2.211 177.078 174.700 0.280 0.000 1.048 402 T CA 1.209 63.434 62.100 0.209 0.000 1.139 402 T CB -0.342 68.539 68.868 0.022 0.000 0.874 402 T HN 0.567 nan 8.240 nan 0.000 0.455 403 A N 1.146 124.091 122.820 0.209 0.000 1.902 403 A HA -0.119 4.223 4.320 0.036 0.000 0.217 403 A C 2.098 179.827 177.584 0.242 0.000 1.181 403 A CA 1.212 53.348 52.037 0.166 0.000 0.623 403 A CB -0.926 18.128 19.000 0.091 0.000 0.818 403 A HN 0.628 nan 8.150 nan 0.000 0.443 404 W N 0.166 121.519 121.300 0.088 0.000 2.354 404 W HA -0.209 4.474 4.660 0.038 0.000 0.315 404 W C 1.997 178.564 176.519 0.080 0.000 1.206 404 W CA 1.420 58.808 57.345 0.072 0.000 1.290 404 W CB -1.224 28.287 29.460 0.085 0.000 1.152 404 W HN 0.457 nan 8.180 nan 0.000 0.489 405 F N 1.028 121.123 119.950 0.240 0.000 2.120 405 F HA -0.268 4.299 4.527 0.067 0.000 0.300 405 F C 2.357 178.216 175.800 0.098 0.000 1.095 405 F CA 2.459 60.514 58.000 0.092 0.000 1.249 405 F CB -1.006 38.020 39.000 0.043 0.000 0.995 405 F HN -0.107 nan 8.300 nan 0.000 0.480 406 L N 0.256 121.482 121.223 0.005 0.000 2.093 406 L HA -0.191 4.171 4.340 0.036 0.000 0.208 406 L C 2.339 179.131 176.870 -0.129 0.000 1.085 406 L CA 1.770 56.528 54.840 -0.136 0.000 0.755 406 L CB -0.522 41.583 42.059 0.076 0.000 0.904 406 L HN 0.244 nan 8.230 nan 0.000 0.435 407 E N -0.234 119.962 120.200 -0.006 0.000 2.051 407 E HA -0.243 4.129 4.350 0.036 0.000 0.192 407 E C 1.690 178.276 176.600 -0.024 0.000 0.991 407 E CA 1.479 57.880 56.400 0.001 0.000 0.799 407 E CB -0.132 29.593 29.700 0.041 0.000 0.748 407 E HN 0.547 nan 8.360 nan 0.000 0.449 408 D N 0.517 120.913 120.400 -0.007 0.000 2.178 408 D HA -0.101 4.561 4.640 0.036 0.000 0.202 408 D C 1.851 178.058 176.300 -0.155 0.000 0.974 408 D CA 1.124 55.100 54.000 -0.040 0.000 0.841 408 D CB -0.196 40.599 40.800 -0.007 0.000 0.953 408 D HN 0.164 nan 8.370 nan 0.000 0.478 409 A N 0.743 123.371 122.820 -0.320 0.000 1.873 409 A HA -0.097 4.245 4.320 0.036 0.000 0.215 409 A C 2.357 179.839 177.584 -0.171 0.000 1.186 409 A CA 0.794 52.630 52.037 -0.336 0.000 0.616 409 A CB -0.770 17.895 19.000 -0.558 0.000 0.823 409 A HN 0.195 nan 8.150 nan 0.000 0.442 410 L N -0.687 120.454 121.223 -0.136 0.000 2.131 410 L HA -0.164 4.198 4.340 0.036 0.000 0.210 410 L C 2.812 179.649 176.870 -0.056 0.000 1.092 410 L CA 0.871 55.664 54.840 -0.078 0.000 0.759 410 L CB -0.432 41.592 42.059 -0.060 0.000 0.903 410 L HN 0.431 nan 8.230 nan 0.000 0.435 411 A N -1.053 121.736 122.820 -0.052 0.000 2.248 411 A HA -0.095 4.247 4.320 0.036 0.000 0.210 411 A C 0.673 178.238 177.584 -0.031 0.000 1.174 411 A CA 0.334 52.353 52.037 -0.031 0.000 0.750 411 A CB -0.125 18.866 19.000 -0.016 0.000 0.780 411 A HN 0.337 nan 8.150 nan 0.000 0.478 412 K N -1.911 118.461 120.400 -0.046 0.000 3.335 412 K HA -0.135 4.207 4.320 0.036 0.000 0.271 412 K C 0.028 176.607 176.600 -0.034 0.000 1.105 412 K CA 1.089 57.353 56.287 -0.039 0.000 0.799 412 K CB -2.514 29.971 32.500 -0.025 0.000 1.309 412 K HN 1.451 nan 8.250 nan 0.000 0.469 413 S N 0.000 115.672 115.700 -0.047 0.000 2.498 413 S HA 0.000 4.492 4.470 0.036 0.000 0.327 413 S CA 0.000 nan 58.200 nan 0.000 1.107 413 S CB 0.000 nan 63.200 nan 0.000 0.593 413 S HN 0.000 nan 8.310 nan 0.000 0.517