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 2hxy_1_A DATA FIRST_RESID 38 DATA SEQUENCE PTFDTMGLRE DLLRGIYAYG FEKPSAIQQR AIKQIIKGRD VIAQSQSGTG DATA SEQUENCE KTATFSISVL QCLDIQVRET QALILAPTRE LAVQIQKGLL ALGDYMNVQC DATA SEQUENCE HACIGGTNVG EDIRKLDYGQ HVVAGTPGRV FDMIRRRSLR TRAIKMLVLD DATA SEQUENCE EADEMLNKGF KEQIYDVYRY LPPATQVVLI SATLPHEILE MTNKFMTDPI DATA SEQUENCE RILVKRDELT LEGIKQFFVA VEREEWKFDT LCDLYDTLTI TQAVIFCNTK DATA SEQUENCE RKVDWLTEKM REANFTVSSM HGDMPQKERE SIMKEFRSGA SRVLISTDVW DATA SEQUENCE ARGLDVPQVS LIINYDLPNN RELYIHRIGR SGRYGRKGVA INFVKNDDIR DATA SEQUENCE ILRDIEQYYS TQIDEMPMNV ADLILE 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.225 177.300 -0.124 0.000 1.155 38 P CA 0.000 63.059 63.100 -0.069 0.000 0.800 38 P CB 0.000 31.656 31.700 -0.073 0.000 0.726 39 T N -2.270 112.218 114.554 -0.110 0.000 2.742 39 T HA 0.622 4.971 4.350 -0.000 0.000 0.282 39 T C 0.440 175.042 174.700 -0.164 0.000 1.025 39 T CA -0.577 61.426 62.100 -0.161 0.000 1.020 39 T CB 0.811 69.697 68.868 0.029 0.000 1.317 39 T HN -0.057 nan 8.240 nan 0.000 0.538 40 F N 0.717 120.708 119.950 0.069 0.000 2.615 40 F HA 0.154 4.681 4.527 -0.000 0.000 0.297 40 F C 2.162 178.009 175.800 0.078 0.000 1.124 40 F CA 0.116 58.140 58.000 0.040 0.000 1.451 40 F CB -0.500 38.468 39.000 -0.054 0.000 1.103 40 F HN 0.546 nan 8.300 nan 0.000 0.569 41 D N -0.216 120.355 120.400 0.285 0.000 2.104 41 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 41 D C 2.231 178.613 176.300 0.137 0.000 0.994 41 D CA 2.200 56.328 54.000 0.213 0.000 0.830 41 D CB -0.726 40.184 40.800 0.183 0.000 0.959 41 D HN 0.306 nan 8.370 nan 0.000 0.452 42 T N -1.584 113.032 114.554 0.103 0.000 3.215 42 T HA 0.051 4.400 4.350 -0.000 0.000 0.254 42 T C 1.594 176.338 174.700 0.073 0.000 1.149 42 T CA 0.110 62.253 62.100 0.071 0.000 1.042 42 T CB -0.306 68.590 68.868 0.047 0.000 0.966 42 T HN 0.060 nan 8.240 nan 0.000 0.534 43 M N 0.622 120.282 119.600 0.101 0.000 2.428 43 M HA 0.312 4.791 4.480 -0.000 0.000 0.239 43 M C 1.546 177.894 176.300 0.079 0.000 1.121 43 M CA 0.265 55.622 55.300 0.096 0.000 1.019 43 M CB 0.064 32.749 32.600 0.141 0.000 1.485 43 M HN 0.459 nan 8.290 nan 0.000 0.484 44 G N 2.768 111.614 108.800 0.076 0.000 2.338 44 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.296 44 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.296 44 G C -0.226 174.704 174.900 0.050 0.000 1.040 44 G CA 0.002 45.137 45.100 0.057 0.000 1.004 44 G HN 0.435 nan 8.290 nan 0.000 0.509 45 L N -0.105 121.154 121.223 0.059 0.000 2.357 45 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 45 L C 1.615 178.501 176.870 0.027 0.000 1.080 45 L CA -1.326 53.534 54.840 0.033 0.000 0.803 45 L CB 0.778 42.851 42.059 0.023 0.000 1.174 45 L HN 0.479 nan 8.230 nan 0.000 0.443 46 R N 1.036 121.541 120.500 0.008 0.000 2.756 46 R HA 0.018 4.357 4.340 -0.000 0.000 0.264 46 R C 0.300 176.611 176.300 0.019 0.000 1.026 46 R CA -0.338 55.767 56.100 0.009 0.000 1.121 46 R CB 0.641 30.937 30.300 -0.006 0.000 0.999 46 R HN 0.650 nan 8.270 nan 0.000 0.449 47 E N 1.290 121.505 120.200 0.024 0.000 2.012 47 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 47 E C 1.392 178.017 176.600 0.041 0.000 1.007 47 E CA 1.925 58.346 56.400 0.035 0.000 0.816 47 E CB -0.154 29.559 29.700 0.021 0.000 0.762 47 E HN 0.815 nan 8.360 nan 0.000 0.451 48 D N 0.902 121.323 120.400 0.035 0.000 2.322 48 D HA -0.203 4.436 4.640 -0.000 0.000 0.210 48 D C 1.943 178.302 176.300 0.099 0.000 0.983 48 D CA 0.803 54.845 54.000 0.070 0.000 0.902 48 D CB -0.168 40.669 40.800 0.062 0.000 0.905 48 D HN 0.169 nan 8.370 nan 0.000 0.483 49 L N -0.341 120.904 121.223 0.037 0.000 2.200 49 L HA 0.128 4.468 4.340 -0.000 0.000 0.200 49 L C 2.098 178.958 176.870 -0.016 0.000 1.072 49 L CA 0.629 55.462 54.840 -0.012 0.000 0.787 49 L CB -0.854 41.166 42.059 -0.066 0.000 0.957 49 L HN -0.036 nan 8.230 nan 0.000 0.459 50 L N 0.286 121.512 121.223 0.005 0.000 2.129 50 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 50 L C 2.758 179.727 176.870 0.166 0.000 1.087 50 L CA 1.832 56.690 54.840 0.030 0.000 0.757 50 L CB -0.758 41.375 42.059 0.124 0.000 0.896 50 L HN 0.392 nan 8.230 nan 0.000 0.434 51 R N -1.001 119.608 120.500 0.182 0.000 2.062 51 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 51 R C 2.206 178.713 176.300 0.345 0.000 1.136 51 R CA 1.378 57.624 56.100 0.242 0.000 0.948 51 R CB -0.809 29.551 30.300 0.099 0.000 0.845 51 R HN 0.490 nan 8.270 nan 0.000 0.430 52 G N 1.405 110.401 108.800 0.328 0.000 2.440 52 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 52 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 52 G C 1.524 176.467 174.900 0.070 0.000 1.154 52 G CA 1.016 46.209 45.100 0.155 0.000 0.767 52 G HN 0.282 nan 8.290 nan 0.000 0.552 53 I N -0.637 119.906 120.570 -0.044 0.000 2.099 53 I HA -0.244 3.925 4.170 -0.000 0.000 0.239 53 I C 2.510 178.633 176.117 0.010 0.000 1.066 53 I CA 1.382 62.580 61.300 -0.171 0.000 1.324 53 I CB -0.375 37.301 38.000 -0.541 0.000 1.037 53 I HN 0.129 nan 8.210 nan 0.000 0.401 54 Y N 0.702 121.070 120.300 0.113 0.000 2.224 54 Y HA -0.171 4.379 4.550 -0.000 0.000 0.289 54 Y C 2.599 178.591 175.900 0.154 0.000 1.146 54 Y CA 1.224 59.413 58.100 0.148 0.000 1.182 54 Y CB -0.748 37.784 38.460 0.121 0.000 0.983 54 Y HN 0.140 nan 8.280 nan 0.000 0.524 55 A N -1.136 121.882 122.820 0.329 0.000 1.969 55 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 55 A C 1.967 179.684 177.584 0.223 0.000 1.169 55 A CA 1.296 53.495 52.037 0.270 0.000 0.635 55 A CB -1.219 17.990 19.000 0.349 0.000 0.810 55 A HN 0.568 nan 8.150 nan 0.000 0.445 56 Y N 0.176 120.518 120.300 0.071 0.000 2.497 56 Y HA 0.165 4.715 4.550 -0.000 0.000 0.292 56 Y C 1.718 177.669 175.900 0.085 0.000 1.137 56 Y CA 1.025 59.144 58.100 0.033 0.000 1.285 56 Y CB -0.177 38.269 38.460 -0.024 0.000 0.991 56 Y HN 0.481 nan 8.280 nan 0.000 0.556 57 G N -1.034 107.851 108.800 0.141 0.000 2.213 57 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.226 57 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.226 57 G C 0.190 175.167 174.900 0.128 0.000 0.992 57 G CA -0.069 45.072 45.100 0.069 0.000 0.632 57 G HN 0.293 nan 8.290 nan 0.000 0.511 58 F N 2.930 122.917 119.950 0.062 0.000 2.516 58 F HA 0.433 4.960 4.527 -0.000 0.000 0.351 58 F C 1.463 177.348 175.800 0.142 0.000 1.208 58 F CA 0.552 58.620 58.000 0.114 0.000 1.073 58 F CB 0.390 39.485 39.000 0.158 0.000 1.203 58 F HN 0.273 nan 8.300 nan 0.000 0.602 59 E N 2.959 123.185 120.200 0.043 0.000 2.340 59 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 59 E C 0.205 176.888 176.600 0.137 0.000 0.996 59 E CA 0.274 56.794 56.400 0.199 0.000 0.869 59 E CB 0.479 30.309 29.700 0.218 0.000 0.835 59 E HN 0.377 nan 8.360 nan 0.000 0.493 60 K N 1.439 121.771 120.400 -0.113 0.000 2.565 60 K HA 0.234 4.554 4.320 -0.000 0.000 0.251 60 K C -2.870 173.494 176.600 -0.393 0.000 0.956 60 K CA -1.904 54.236 56.287 -0.245 0.000 0.809 60 K CB 2.150 34.557 32.500 -0.155 0.000 1.267 60 K HN -0.180 nan 8.250 nan 0.000 0.438 61 P HA 0.075 nan 4.420 nan 0.000 0.282 61 P C -0.279 176.935 177.300 -0.143 0.000 1.249 61 P CA -0.363 62.581 63.100 -0.259 0.000 0.806 61 P CB 1.697 33.041 31.700 -0.594 0.000 0.984 62 S N 1.212 116.909 115.700 -0.005 0.000 2.598 62 S HA 0.210 4.680 4.470 -0.000 0.000 0.256 62 S C 1.659 176.247 174.600 -0.020 0.000 1.350 62 S CA 0.293 58.489 58.200 -0.006 0.000 0.984 62 S CB -0.078 63.150 63.200 0.047 0.000 0.930 62 S HN 0.520 nan 8.310 nan 0.000 0.577 63 A N 1.715 124.529 122.820 -0.010 0.000 1.872 63 A HA 0.022 4.341 4.320 -0.000 0.000 0.214 63 A C 2.111 179.702 177.584 0.011 0.000 1.187 63 A CA 1.606 53.639 52.037 -0.007 0.000 0.614 63 A CB -1.030 17.969 19.000 -0.002 0.000 0.826 63 A HN 1.035 nan 8.150 nan 0.000 0.442 64 I N -1.074 119.510 120.570 0.023 0.000 2.233 64 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 64 I C 2.087 178.232 176.117 0.046 0.000 1.093 64 I CA 2.113 63.434 61.300 0.034 0.000 1.380 64 I CB -0.902 37.120 38.000 0.037 0.000 1.067 64 I HN 0.370 nan 8.210 nan 0.000 0.413 65 Q N 0.485 120.321 119.800 0.060 0.000 2.152 65 Q HA -0.314 4.026 4.340 -0.000 0.000 0.206 65 Q C 2.364 178.413 176.000 0.081 0.000 0.985 65 Q CA 2.181 58.037 55.803 0.088 0.000 0.863 65 Q CB -0.447 28.375 28.738 0.139 0.000 0.904 65 Q HN 0.757 nan 8.270 nan 0.000 0.422 66 Q N 0.971 120.799 119.800 0.046 0.000 2.061 66 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 66 Q C 2.148 178.178 176.000 0.050 0.000 0.984 66 Q CA 1.470 57.294 55.803 0.035 0.000 0.846 66 Q CB 0.000 28.731 28.738 -0.012 0.000 0.902 66 Q HN 0.234 nan 8.270 nan 0.000 0.421 67 R N -0.319 120.207 120.500 0.043 0.000 2.082 67 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 67 R C 2.219 178.549 176.300 0.050 0.000 1.136 67 R CA 1.519 57.646 56.100 0.045 0.000 0.935 67 R CB -0.525 29.799 30.300 0.040 0.000 0.842 67 R HN 0.354 nan 8.270 nan 0.000 0.430 68 A N 1.249 124.101 122.820 0.053 0.000 1.869 68 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 68 A C 2.208 179.829 177.584 0.060 0.000 1.203 68 A CA 2.073 54.143 52.037 0.055 0.000 0.638 68 A CB -0.844 18.195 19.000 0.066 0.000 0.831 68 A HN 0.424 nan 8.150 nan 0.000 0.450 69 I N -1.032 119.583 120.570 0.075 0.000 2.076 69 I HA -0.296 3.873 4.170 -0.000 0.000 0.237 69 I C 2.568 178.724 176.117 0.064 0.000 1.059 69 I CA 2.049 63.395 61.300 0.077 0.000 1.317 69 I CB -0.396 37.673 38.000 0.115 0.000 1.037 69 I HN 0.307 nan 8.210 nan 0.000 0.398 70 K N 0.735 121.175 120.400 0.066 0.000 2.077 70 K HA -0.263 4.057 4.320 -0.000 0.000 0.213 70 K C 2.180 178.809 176.600 0.048 0.000 1.051 70 K CA 1.770 58.091 56.287 0.057 0.000 0.929 70 K CB -0.227 32.305 32.500 0.053 0.000 0.715 70 K HN 0.231 nan 8.250 nan 0.000 0.451 71 Q N -0.141 119.687 119.800 0.047 0.000 2.123 71 Q HA -0.022 4.318 4.340 -0.000 0.000 0.199 71 Q C 2.289 178.309 176.000 0.034 0.000 0.966 71 Q CA 1.431 57.259 55.803 0.042 0.000 0.845 71 Q CB -0.104 28.657 28.738 0.040 0.000 0.907 71 Q HN 0.457 nan 8.270 nan 0.000 0.439 72 I N 0.296 120.885 120.570 0.031 0.000 2.286 72 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 72 I C 2.188 178.318 176.117 0.020 0.000 1.115 72 I CA 0.867 62.180 61.300 0.022 0.000 1.392 72 I CB -0.303 37.713 38.000 0.027 0.000 1.065 72 I HN 0.121 nan 8.210 nan 0.000 0.418 73 I N 0.701 121.287 120.570 0.026 0.000 2.226 73 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 73 I C 2.436 178.567 176.117 0.023 0.000 1.100 73 I CA 1.152 62.465 61.300 0.022 0.000 1.374 73 I CB -0.421 37.595 38.000 0.027 0.000 1.057 73 I HN 0.147 nan 8.210 nan 0.000 0.413 74 K N 0.645 121.063 120.400 0.030 0.000 2.218 74 K HA -0.145 4.174 4.320 -0.000 0.000 0.205 74 K C 1.582 178.200 176.600 0.030 0.000 1.046 74 K CA 1.357 57.664 56.287 0.033 0.000 0.933 74 K CB -0.480 32.045 32.500 0.042 0.000 0.728 74 K HN 0.605 nan 8.250 nan 0.000 0.454 75 G N 0.489 109.304 108.800 0.024 0.000 2.231 75 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.206 75 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.206 75 G C -0.006 174.905 174.900 0.019 0.000 0.996 75 G CA -0.391 44.720 45.100 0.019 0.000 0.645 75 G HN 0.085 nan 8.290 nan 0.000 0.498 76 R N 1.362 121.878 120.500 0.026 0.000 2.698 76 R HA 0.238 4.578 4.340 -0.000 0.000 0.266 76 R C -0.319 175.984 176.300 0.004 0.000 1.026 76 R CA 0.015 56.130 56.100 0.025 0.000 1.102 76 R CB 0.040 30.361 30.300 0.036 0.000 0.978 76 R HN 0.277 nan 8.270 nan 0.000 0.436 77 D N 0.967 121.365 120.400 -0.003 0.000 2.350 77 D HA 0.190 4.830 4.640 -0.000 0.000 0.249 77 D C -0.295 175.986 176.300 -0.031 0.000 1.119 77 D CA 0.007 53.990 54.000 -0.029 0.000 0.886 77 D CB 1.028 41.808 40.800 -0.032 0.000 1.195 77 D HN 0.008 nan 8.370 nan 0.000 0.437 78 V N 3.228 123.112 119.914 -0.050 0.000 2.769 78 V HA 0.443 4.562 4.120 -0.000 0.000 0.312 78 V C 0.166 176.219 176.094 -0.070 0.000 1.061 78 V CA -0.792 61.481 62.300 -0.045 0.000 0.931 78 V CB 2.108 33.913 31.823 -0.029 0.000 1.010 78 V HN 0.383 nan 8.190 nan 0.000 0.433 79 I N 3.594 124.124 120.570 -0.067 0.000 2.502 79 I HA 0.569 4.739 4.170 -0.000 0.000 0.276 79 I C 0.171 176.245 176.117 -0.071 0.000 1.057 79 I CA -0.362 60.883 61.300 -0.091 0.000 1.163 79 I CB 1.353 39.276 38.000 -0.128 0.000 1.288 79 I HN 0.680 nan 8.210 nan 0.000 0.479 80 A N 5.633 128.420 122.820 -0.055 0.000 2.276 80 A HA 0.470 4.789 4.320 -0.000 0.000 0.316 80 A C -0.257 177.312 177.584 -0.025 0.000 1.229 80 A CA -0.432 51.591 52.037 -0.024 0.000 0.851 80 A CB 0.948 19.952 19.000 0.007 0.000 1.165 80 A HN 0.703 nan 8.150 nan 0.000 0.513 81 Q N 2.162 121.952 119.800 -0.015 0.000 2.295 81 Q HA 0.366 4.706 4.340 -0.000 0.000 0.259 81 Q C 0.351 176.360 176.000 0.015 0.000 0.976 81 Q CA -0.143 55.654 55.803 -0.009 0.000 0.923 81 Q CB 0.664 29.400 28.738 -0.004 0.000 1.185 81 Q HN 0.849 nan 8.270 nan 0.000 0.410 82 S N 3.786 119.497 115.700 0.018 0.000 2.576 82 S HA 0.099 4.569 4.470 -0.000 0.000 0.276 82 S C -0.691 173.930 174.600 0.035 0.000 1.339 82 S CA -0.305 57.917 58.200 0.036 0.000 1.039 82 S CB 0.967 64.189 63.200 0.037 0.000 0.902 82 S HN 0.752 nan 8.310 nan 0.000 0.516 83 Q N 2.788 122.615 119.800 0.044 0.000 2.305 83 Q HA 0.351 4.691 4.340 -0.000 0.000 0.271 83 Q C -1.050 174.976 176.000 0.043 0.000 1.046 83 Q CA -0.507 55.320 55.803 0.040 0.000 0.798 83 Q CB 1.752 30.513 28.738 0.038 0.000 1.286 83 Q HN 0.721 nan 8.270 nan 0.000 0.435 84 S N 1.997 117.720 115.700 0.037 0.000 2.887 84 S HA 0.338 4.808 4.470 -0.000 0.000 0.337 84 S C -0.013 174.611 174.600 0.040 0.000 1.209 84 S CA 0.910 59.133 58.200 0.037 0.000 1.186 84 S CB -0.341 62.877 63.200 0.030 0.000 0.925 84 S HN 0.728 nan 8.310 nan 0.000 0.522 85 G N 2.861 111.691 108.800 0.050 0.000 2.588 85 G HA2 0.420 4.380 3.960 -0.000 0.000 0.281 85 G HA3 0.420 4.380 3.960 -0.000 0.000 0.281 85 G C -1.099 173.845 174.900 0.074 0.000 1.223 85 G CA -0.604 44.529 45.100 0.055 0.000 0.871 85 G HN 0.420 nan 8.290 nan 0.000 0.492 86 T N 0.982 115.595 114.554 0.097 0.000 2.780 86 T HA 0.484 4.834 4.350 -0.000 0.000 0.294 86 T C 1.021 175.884 174.700 0.272 0.000 0.949 86 T CA 1.116 63.308 62.100 0.153 0.000 1.074 86 T CB 0.744 69.675 68.868 0.105 0.000 0.910 86 T HN 2.010 nan 8.240 nan 0.000 0.501 87 G N 3.069 112.022 108.800 0.255 0.000 2.266 87 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.269 87 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.269 87 G C 0.847 175.783 174.900 0.061 0.000 0.863 87 G CA 0.370 45.581 45.100 0.185 0.000 1.268 87 G HN 0.656 nan 8.290 nan 0.000 0.426 88 K N -0.283 120.152 120.400 0.058 0.000 2.555 88 K HA 0.104 4.423 4.320 -0.000 0.000 0.193 88 K C 2.340 178.929 176.600 -0.017 0.000 1.032 88 K CA 1.533 57.852 56.287 0.054 0.000 1.004 88 K CB -0.045 32.507 32.500 0.087 0.000 0.804 88 K HN 0.411 nan 8.250 nan 0.000 0.496 89 T N -0.593 113.868 114.554 -0.154 0.000 2.755 89 T HA 0.069 4.418 4.350 -0.000 0.000 0.251 89 T C 1.677 175.859 174.700 -0.863 0.000 1.044 89 T CA 1.053 62.876 62.100 -0.462 0.000 1.154 89 T CB -0.352 68.356 68.868 -0.267 0.000 0.866 89 T HN 0.273 nan 8.240 nan 0.000 0.416 90 A N 1.457 123.930 122.820 -0.578 0.000 1.884 90 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 90 A C 2.460 179.662 177.584 -0.636 0.000 1.197 90 A CA 2.672 54.297 52.037 -0.686 0.000 0.637 90 A CB -1.635 16.890 19.000 -0.792 0.000 0.827 90 A HN 0.502 nan 8.150 nan 0.000 0.450 91 T N 0.181 114.460 114.554 -0.459 0.000 2.594 91 T HA -0.286 4.064 4.350 -0.000 0.000 0.266 91 T C 1.539 176.158 174.700 -0.136 0.000 1.070 91 T CA 2.404 64.380 62.100 -0.205 0.000 1.166 91 T CB -0.655 68.205 68.868 -0.013 0.000 0.862 91 T HN 0.829 nan 8.240 nan 0.000 0.436 92 F N 1.236 121.124 119.950 -0.104 0.000 2.335 92 F HA 0.265 4.792 4.527 -0.000 0.000 0.296 92 F C 2.371 178.098 175.800 -0.122 0.000 1.091 92 F CA 0.413 58.358 58.000 -0.093 0.000 1.399 92 F CB -1.065 37.889 39.000 -0.078 0.000 1.067 92 F HN -0.017 nan 8.300 nan 0.000 0.520 93 S N 1.879 117.189 115.700 -0.650 0.000 2.359 93 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 93 S C 2.137 176.579 174.600 -0.263 0.000 1.035 93 S CA 1.791 59.739 58.200 -0.421 0.000 1.018 93 S CB -0.683 62.141 63.200 -0.627 0.000 0.876 93 S HN 0.462 nan 8.310 nan 0.000 0.448 94 I N 1.452 121.825 120.570 -0.328 0.000 2.194 94 I HA -0.226 3.943 4.170 -0.000 0.000 0.246 94 I C 2.461 178.493 176.117 -0.142 0.000 1.093 94 I CA 0.995 62.131 61.300 -0.274 0.000 1.355 94 I CB -0.544 37.267 38.000 -0.315 0.000 1.046 94 I HN 0.235 nan 8.210 nan 0.000 0.413 95 S N 0.486 116.144 115.700 -0.071 0.000 2.344 95 S HA -0.162 4.308 4.470 -0.000 0.000 0.217 95 S C 2.118 176.713 174.600 -0.008 0.000 1.033 95 S CA 1.438 59.634 58.200 -0.007 0.000 1.017 95 S CB -0.497 62.733 63.200 0.050 0.000 0.941 95 S HN 0.207 nan 8.310 nan 0.000 0.430 96 V N 2.540 122.468 119.914 0.024 0.000 2.231 96 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 96 V C 2.294 178.367 176.094 -0.035 0.000 1.058 96 V CA 1.961 64.270 62.300 0.014 0.000 1.022 96 V CB -0.897 30.961 31.823 0.059 0.000 0.640 96 V HN 0.402 nan 8.190 nan 0.000 0.445 97 L N -0.569 120.611 121.223 -0.071 0.000 1.997 97 L HA -0.319 4.021 4.340 -0.000 0.000 0.216 97 L C 2.717 179.534 176.870 -0.088 0.000 1.074 97 L CA 2.303 57.084 54.840 -0.100 0.000 0.763 97 L CB -0.733 41.242 42.059 -0.140 0.000 0.890 97 L HN 0.423 nan 8.230 nan 0.000 0.434 98 Q N 0.235 119.989 119.800 -0.077 0.000 2.062 98 Q HA -0.216 4.124 4.340 -0.000 0.000 0.209 98 Q C 1.258 177.232 176.000 -0.044 0.000 0.996 98 Q CA 1.847 57.617 55.803 -0.056 0.000 0.859 98 Q CB -0.519 28.195 28.738 -0.040 0.000 0.920 98 Q HN 0.568 nan 8.270 nan 0.000 0.415 99 C N 2.012 121.290 119.300 -0.036 0.000 3.025 99 C HA 0.443 4.902 4.460 -0.000 0.000 0.547 99 C C -0.149 174.818 174.990 -0.038 0.000 1.058 99 C CA -0.706 58.295 59.018 -0.027 0.000 1.164 99 C CB -2.203 25.528 27.740 -0.015 0.000 1.405 99 C HN 0.367 nan 8.230 nan 0.000 0.610 100 L N 0.630 121.819 121.223 -0.057 0.000 2.359 100 L HA 0.538 4.878 4.340 -0.000 0.000 0.256 100 L C -0.657 176.166 176.870 -0.079 0.000 1.026 100 L CA -0.312 54.480 54.840 -0.079 0.000 0.828 100 L CB 1.997 43.969 42.059 -0.145 0.000 1.406 100 L HN 0.060 nan 8.230 nan 0.000 0.413 101 D N 1.434 121.789 120.400 -0.075 0.000 2.434 101 D HA 0.233 4.872 4.640 -0.000 0.000 0.275 101 D C 1.119 177.382 176.300 -0.062 0.000 1.172 101 D CA -0.408 53.564 54.000 -0.047 0.000 0.916 101 D CB 0.794 41.591 40.800 -0.005 0.000 1.041 101 D HN 0.266 nan 8.370 nan 0.000 0.501 102 I N 1.517 122.003 120.570 -0.140 0.000 2.074 102 I HA -0.347 3.823 4.170 -0.000 0.000 0.238 102 I C 2.104 178.265 176.117 0.072 0.000 1.037 102 I CA 1.382 62.582 61.300 -0.167 0.000 1.301 102 I CB -1.293 36.637 38.000 -0.118 0.000 1.016 102 I HN 0.461 nan 8.210 nan 0.000 0.400 103 Q N 0.541 120.364 119.800 0.038 0.000 2.458 103 Q HA -0.114 4.226 4.340 -0.000 0.000 0.215 103 Q C 0.682 176.722 176.000 0.067 0.000 0.989 103 Q CA 0.701 56.535 55.803 0.051 0.000 0.895 103 Q CB -0.871 27.882 28.738 0.025 0.000 0.934 103 Q HN 0.435 nan 8.270 nan 0.000 0.475 104 V N 2.513 122.484 119.914 0.096 0.000 2.239 104 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 104 V C 0.229 176.383 176.094 0.099 0.000 1.056 104 V CA -0.418 61.926 62.300 0.074 0.000 0.830 104 V CB 0.579 32.433 31.823 0.051 0.000 1.090 104 V HN 0.094 nan 8.190 nan 0.000 0.459 105 R N 3.703 124.204 120.500 0.002 0.000 2.459 105 R HA 0.343 4.683 4.340 -0.000 0.000 0.301 105 R C 0.028 176.205 176.300 -0.206 0.000 1.286 105 R CA 0.210 56.165 56.100 -0.242 0.000 1.046 105 R CB 0.225 30.338 30.300 -0.311 0.000 1.071 105 R HN 0.765 nan 8.270 nan 0.000 0.512 106 E N 0.966 121.072 120.200 -0.156 0.000 2.400 106 E HA 0.064 4.414 4.350 -0.000 0.000 0.285 106 E C -1.209 175.372 176.600 -0.033 0.000 1.005 106 E CA -0.520 55.825 56.400 -0.090 0.000 0.816 106 E CB 1.484 31.161 29.700 -0.039 0.000 1.220 106 E HN 0.199 nan 8.360 nan 0.000 0.426 107 T N 3.680 118.215 114.554 -0.032 0.000 2.704 107 T HA -0.043 4.307 4.350 -0.000 0.000 0.271 107 T C 0.657 175.371 174.700 0.022 0.000 1.000 107 T CA 0.877 62.979 62.100 0.004 0.000 1.216 107 T CB 0.263 69.132 68.868 0.002 0.000 0.961 107 T HN 0.404 nan 8.240 nan 0.000 0.515 108 Q N 1.330 121.155 119.800 0.042 0.000 2.378 108 Q HA 0.372 4.712 4.340 -0.000 0.000 0.229 108 Q C 0.613 176.621 176.000 0.014 0.000 0.882 108 Q CA -0.011 55.810 55.803 0.030 0.000 0.936 108 Q CB 0.813 29.575 28.738 0.040 0.000 1.092 108 Q HN 0.704 nan 8.270 nan 0.000 0.535 109 A N 1.219 124.048 122.820 0.016 0.000 2.422 109 A HA 0.621 4.940 4.320 -0.000 0.000 0.302 109 A C -1.801 175.783 177.584 -0.001 0.000 1.041 109 A CA -0.546 51.492 52.037 0.001 0.000 0.708 109 A CB 1.458 20.459 19.000 0.002 0.000 1.257 109 A HN 0.129 nan 8.150 nan 0.000 0.414 110 L N 3.111 124.322 121.223 -0.019 0.000 2.356 110 L HA 0.755 5.094 4.340 -0.000 0.000 0.277 110 L C -1.244 175.593 176.870 -0.055 0.000 0.996 110 L CA -0.336 54.491 54.840 -0.022 0.000 0.822 110 L CB 1.101 43.154 42.059 -0.011 0.000 1.256 110 L HN 0.601 nan 8.230 nan 0.000 0.413 111 I N 5.958 126.496 120.570 -0.054 0.000 2.404 111 I HA 0.420 4.589 4.170 -0.000 0.000 0.293 111 I C -0.780 175.279 176.117 -0.096 0.000 0.992 111 I CA -0.620 60.621 61.300 -0.099 0.000 1.149 111 I CB 1.621 39.587 38.000 -0.057 0.000 1.315 111 I HN 0.440 nan 8.210 nan 0.000 0.446 112 L N 5.744 126.885 121.223 -0.136 0.000 2.329 112 L HA 0.875 5.214 4.340 -0.000 0.000 0.279 112 L C -0.123 176.646 176.870 -0.169 0.000 1.014 112 L CA -0.588 54.171 54.840 -0.134 0.000 0.814 112 L CB 1.781 43.763 42.059 -0.129 0.000 1.257 112 L HN 0.670 nan 8.230 nan 0.000 0.424 113 A N 3.660 126.374 122.820 -0.178 0.000 2.469 113 A HA 0.784 5.104 4.320 -0.000 0.000 0.299 113 A C -2.267 175.148 177.584 -0.283 0.000 1.098 113 A CA -1.259 50.669 52.037 -0.182 0.000 0.737 113 A CB 1.690 20.628 19.000 -0.104 0.000 1.312 113 A HN 0.544 nan 8.150 nan 0.000 0.414 114 P HA 0.010 nan 4.420 nan 0.000 0.229 114 P C 0.410 177.591 177.300 -0.199 0.000 1.160 114 P CA 1.471 64.375 63.100 -0.326 0.000 0.777 114 P CB 0.055 31.656 31.700 -0.166 0.000 0.814 115 T N -4.592 109.893 114.554 -0.115 0.000 2.916 115 T HA 0.440 4.790 4.350 -0.000 0.000 0.305 115 T C 0.935 175.617 174.700 -0.029 0.000 1.119 115 T CA -0.926 61.151 62.100 -0.037 0.000 1.008 115 T CB 2.243 71.108 68.868 -0.005 0.000 1.129 115 T HN -0.212 nan 8.240 nan 0.000 0.480 116 R N 0.741 121.240 120.500 -0.001 0.000 2.097 116 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 116 R C 2.010 178.302 176.300 -0.012 0.000 1.135 116 R CA 2.080 58.177 56.100 -0.005 0.000 0.934 116 R CB -0.514 29.794 30.300 0.014 0.000 0.846 116 R HN 0.698 nan 8.270 nan 0.000 0.431 117 E N 0.812 121.011 120.200 -0.002 0.000 2.068 117 E HA -0.241 4.109 4.350 -0.000 0.000 0.207 117 E C 1.817 178.414 176.600 -0.007 0.000 1.032 117 E CA 1.326 57.725 56.400 -0.001 0.000 0.839 117 E CB -0.498 29.206 29.700 0.007 0.000 0.758 117 E HN 0.118 nan 8.360 nan 0.000 0.457 118 L N 0.368 121.586 121.223 -0.008 0.000 2.079 118 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 118 L C 2.039 178.902 176.870 -0.013 0.000 1.081 118 L CA 2.150 56.986 54.840 -0.007 0.000 0.752 118 L CB -1.035 41.018 42.059 -0.009 0.000 0.896 118 L HN 0.145 nan 8.230 nan 0.000 0.433 119 A N -1.087 121.715 122.820 -0.030 0.000 1.892 119 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 119 A C 2.268 179.827 177.584 -0.043 0.000 1.188 119 A CA 2.309 54.321 52.037 -0.042 0.000 0.631 119 A CB -1.168 17.796 19.000 -0.060 0.000 0.822 119 A HN 0.322 nan 8.150 nan 0.000 0.447 120 V N -0.006 119.882 119.914 -0.043 0.000 2.261 120 V HA -0.353 3.767 4.120 -0.000 0.000 0.246 120 V C 2.626 178.703 176.094 -0.028 0.000 1.047 120 V CA 2.262 64.536 62.300 -0.044 0.000 1.015 120 V CB -1.168 30.636 31.823 -0.030 0.000 0.642 120 V HN 0.659 nan 8.190 nan 0.000 0.446 121 Q N -0.251 119.540 119.800 -0.015 0.000 2.047 121 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 121 Q C 2.281 178.267 176.000 -0.023 0.000 1.005 121 Q CA 2.450 58.248 55.803 -0.008 0.000 0.866 121 Q CB -0.492 28.247 28.738 0.003 0.000 0.938 121 Q HN 0.576 nan 8.270 nan 0.000 0.414 122 I N 0.626 121.188 120.570 -0.013 0.000 2.185 122 I HA -0.382 3.788 4.170 -0.000 0.000 0.246 122 I C 2.762 178.851 176.117 -0.048 0.000 1.088 122 I CA 1.715 63.006 61.300 -0.014 0.000 1.347 122 I CB -0.513 37.522 38.000 0.058 0.000 1.041 122 I HN 0.418 nan 8.210 nan 0.000 0.415 123 Q N 1.661 121.436 119.800 -0.041 0.000 1.965 123 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 123 Q C 2.224 178.190 176.000 -0.056 0.000 0.981 123 Q CA 1.514 57.289 55.803 -0.048 0.000 0.834 123 Q CB -0.040 28.668 28.738 -0.050 0.000 0.900 123 Q HN 0.370 nan 8.270 nan 0.000 0.426 124 K N -0.303 120.073 120.400 -0.041 0.000 2.173 124 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 124 K C 1.973 178.537 176.600 -0.061 0.000 1.046 124 K CA 1.245 57.513 56.287 -0.032 0.000 0.929 124 K CB -0.351 32.145 32.500 -0.008 0.000 0.720 124 K HN 0.465 nan 8.250 nan 0.000 0.453 125 G N 1.070 109.814 108.800 -0.094 0.000 2.394 125 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.214 125 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.214 125 G C 1.474 176.191 174.900 -0.306 0.000 1.176 125 G CA 0.196 45.177 45.100 -0.198 0.000 0.786 125 G HN 0.092 nan 8.290 nan 0.000 0.533 126 L N -0.060 121.025 121.223 -0.230 0.000 2.013 126 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 126 L C 2.960 179.712 176.870 -0.198 0.000 1.073 126 L CA 0.862 55.569 54.840 -0.221 0.000 0.753 126 L CB -0.292 41.689 42.059 -0.129 0.000 0.890 126 L HN 0.212 nan 8.230 nan 0.000 0.432 127 L N -0.891 120.248 121.223 -0.141 0.000 2.046 127 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 127 L C 2.759 179.536 176.870 -0.155 0.000 1.077 127 L CA 1.243 56.015 54.840 -0.114 0.000 0.747 127 L CB -0.658 41.362 42.059 -0.065 0.000 0.896 127 L HN 0.239 nan 8.230 nan 0.000 0.432 128 A N -0.389 122.331 122.820 -0.167 0.000 2.015 128 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 128 A C 2.216 179.645 177.584 -0.260 0.000 1.163 128 A CA 1.283 53.225 52.037 -0.159 0.000 0.646 128 A CB -0.520 18.452 19.000 -0.046 0.000 0.806 128 A HN 0.373 nan 8.150 nan 0.000 0.448 129 L N -1.401 119.592 121.223 -0.382 0.000 2.209 129 L HA 0.052 4.391 4.340 -0.000 0.000 0.207 129 L C 2.213 178.923 176.870 -0.266 0.000 1.094 129 L CA 0.927 55.525 54.840 -0.402 0.000 0.790 129 L CB -0.077 41.669 42.059 -0.522 0.000 0.932 129 L HN 0.460 nan 8.230 nan 0.000 0.447 130 G N -2.059 106.604 108.800 -0.230 0.000 3.502 130 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.267 130 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.267 130 G C 0.780 175.576 174.900 -0.174 0.000 1.090 130 G CA -0.175 44.826 45.100 -0.166 0.000 0.795 130 G HN 0.101 nan 8.290 nan 0.000 0.535 131 D N 0.791 121.019 120.400 -0.287 0.000 2.220 131 D HA -0.200 4.439 4.640 -0.000 0.000 0.198 131 D C 1.002 177.127 176.300 -0.291 0.000 1.001 131 D CA 1.015 54.806 54.000 -0.348 0.000 0.875 131 D CB 0.062 40.532 40.800 -0.551 0.000 0.921 131 D HN 0.407 nan 8.370 nan 0.000 0.454 132 Y N -0.974 119.314 120.300 -0.019 0.000 2.470 132 Y HA 0.306 4.856 4.550 -0.000 0.000 0.284 132 Y C 1.520 177.406 175.900 -0.023 0.000 1.188 132 Y CA 0.089 58.181 58.100 -0.012 0.000 1.269 132 Y CB -0.242 38.216 38.460 -0.004 0.000 1.094 132 Y HN 0.015 nan 8.280 nan 0.000 0.518 133 M N -0.958 118.675 119.600 0.056 0.000 2.313 133 M HA 0.144 4.623 4.480 -0.000 0.000 0.273 133 M C 0.282 176.580 176.300 -0.003 0.000 1.049 133 M CA -0.084 55.222 55.300 0.010 0.000 1.004 133 M CB 0.207 32.780 32.600 -0.046 0.000 1.461 133 M HN 0.126 nan 8.290 nan 0.000 0.514 134 N N 1.835 120.544 118.700 0.015 0.000 2.686 134 N HA -0.153 4.586 4.740 -0.000 0.000 0.261 134 N C -1.001 174.525 175.510 0.027 0.000 1.001 134 N CA 0.253 53.319 53.050 0.027 0.000 0.764 134 N CB -0.511 38.003 38.487 0.045 0.000 0.898 134 N HN 0.300 nan 8.380 nan 0.000 0.544 135 V N 1.019 120.936 119.914 0.006 0.000 2.532 135 V HA 0.530 4.649 4.120 -0.000 0.000 0.295 135 V C -0.373 175.782 176.094 0.101 0.000 1.041 135 V CA -0.558 61.765 62.300 0.038 0.000 0.926 135 V CB 1.716 33.505 31.823 -0.058 0.000 0.992 135 V HN 0.330 nan 8.190 nan 0.000 0.457 136 Q N 5.094 125.036 119.800 0.236 0.000 2.314 136 Q HA 0.483 4.823 4.340 -0.000 0.000 0.259 136 Q C -0.711 175.326 176.000 0.062 0.000 0.951 136 Q CA -0.106 55.724 55.803 0.044 0.000 0.909 136 Q CB 1.308 29.928 28.738 -0.197 0.000 1.236 136 Q HN 0.834 nan 8.270 nan 0.000 0.444 137 C N 3.214 122.544 119.300 0.050 0.000 2.608 137 C HA 0.672 5.132 4.460 -0.000 0.000 0.325 137 C C -1.293 173.763 174.990 0.110 0.000 1.147 137 C CA -0.344 58.711 59.018 0.062 0.000 1.359 137 C CB 1.105 28.861 27.740 0.027 0.000 1.912 137 C HN 1.010 nan 8.230 nan 0.000 0.466 138 H N 2.908 121.975 119.070 -0.005 0.000 2.821 138 H HA 0.779 5.334 4.556 -0.000 0.000 0.373 138 H C -0.551 174.778 175.328 0.002 0.000 1.165 138 H CA 0.431 56.479 56.048 0.000 0.000 1.154 138 H CB 2.030 31.793 29.762 0.002 0.000 1.765 138 H HN 1.007 nan 8.280 nan 0.000 0.549 139 A N 2.813 125.159 122.820 -0.791 0.000 2.318 139 A HA 0.541 4.860 4.320 -0.000 0.000 0.324 139 A C -0.665 176.473 177.584 -0.743 0.000 1.170 139 A CA -0.554 51.160 52.037 -0.539 0.000 0.810 139 A CB 0.168 18.992 19.000 -0.294 0.000 1.198 139 A HN 0.760 nan 8.150 nan 0.000 0.484 140 C N 1.729 120.850 119.300 -0.299 0.000 2.365 140 C HA 0.888 5.348 4.460 -0.000 0.000 0.351 140 C C 0.337 175.302 174.990 -0.042 0.000 1.240 140 C CA 0.009 58.967 59.018 -0.099 0.000 2.062 140 C CB -0.782 26.971 27.740 0.022 0.000 2.387 140 C HN 0.875 nan 8.230 nan 0.000 0.537 141 I N 0.312 120.891 120.570 0.014 0.000 1.568 141 I HA 0.416 4.586 4.170 -0.000 0.000 0.312 141 I C 0.401 176.540 176.117 0.037 0.000 3.174 141 I CA 0.796 62.112 61.300 0.026 0.000 1.046 141 I CB 0.193 38.202 38.000 0.015 0.000 2.548 141 I HN 0.926 nan 8.210 nan 0.000 0.694 142 G N 1.377 110.199 108.800 0.035 0.000 2.483 142 G HA2 0.411 4.370 3.960 -0.000 0.000 0.196 142 G HA3 0.411 4.370 3.960 -0.000 0.000 0.196 142 G C 1.070 175.989 174.900 0.031 0.000 2.335 142 G CA 1.019 46.139 45.100 0.034 0.000 1.576 142 G HN 2.301 nan 8.290 nan 0.000 0.499 143 G N -1.433 107.386 108.800 0.031 0.000 2.475 143 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.209 143 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.209 143 G C 1.351 176.263 174.900 0.019 0.000 1.127 143 G CA 1.405 46.519 45.100 0.023 0.000 0.681 143 G HN 1.686 nan 8.290 nan 0.000 0.517 144 T N 1.090 115.656 114.554 0.020 0.000 3.085 144 T HA 0.089 4.439 4.350 -0.000 0.000 0.263 144 T C 1.630 176.341 174.700 0.019 0.000 1.127 144 T CA 1.331 63.440 62.100 0.016 0.000 1.103 144 T CB -0.109 68.768 68.868 0.016 0.000 0.921 144 T HN 0.469 nan 8.240 nan 0.000 0.510 145 N N 1.082 119.798 118.700 0.027 0.000 2.197 145 N HA -0.017 4.723 4.740 -0.000 0.000 0.201 145 N C 1.969 177.501 175.510 0.037 0.000 1.148 145 N CA 0.416 53.487 53.050 0.035 0.000 0.883 145 N CB 0.503 39.022 38.487 0.054 0.000 1.012 145 N HN 0.309 nan 8.380 nan 0.000 0.507 146 V N -0.725 119.207 119.914 0.030 0.000 2.418 146 V HA -0.184 3.936 4.120 -0.000 0.000 0.258 146 V C 2.208 178.310 176.094 0.012 0.000 1.088 146 V CA 2.278 64.593 62.300 0.025 0.000 1.091 146 V CB -1.585 30.245 31.823 0.012 0.000 0.669 146 V HN 0.192 nan 8.190 nan 0.000 0.461 147 G N -0.220 108.583 108.800 0.005 0.000 2.394 147 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.214 147 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.214 147 G C 1.446 176.337 174.900 -0.015 0.000 1.176 147 G CA 0.819 45.914 45.100 -0.007 0.000 0.786 147 G HN 0.584 nan 8.290 nan 0.000 0.533 148 E N 0.868 121.063 120.200 -0.009 0.000 2.106 148 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 148 E C 1.942 178.508 176.600 -0.057 0.000 0.984 148 E CA 1.034 57.417 56.400 -0.027 0.000 0.806 148 E CB -0.283 29.415 29.700 -0.002 0.000 0.750 148 E HN 0.247 nan 8.360 nan 0.000 0.458 149 D N -0.014 120.389 120.400 0.005 0.000 2.108 149 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 149 D C 1.948 178.227 176.300 -0.035 0.000 0.995 149 D CA 1.635 55.663 54.000 0.047 0.000 0.834 149 D CB -0.259 40.605 40.800 0.107 0.000 0.967 149 D HN 0.285 nan 8.370 nan 0.000 0.446 150 I N 0.359 120.918 120.570 -0.018 0.000 2.286 150 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 150 I C 2.575 178.665 176.117 -0.044 0.000 1.115 150 I CA 0.645 61.929 61.300 -0.027 0.000 1.392 150 I CB -0.319 37.668 38.000 -0.021 0.000 1.065 150 I HN 0.008 nan 8.210 nan 0.000 0.418 151 R N 1.963 122.431 120.500 -0.054 0.000 2.094 151 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 151 R C 2.219 178.485 176.300 -0.057 0.000 1.137 151 R CA 1.885 57.953 56.100 -0.055 0.000 0.943 151 R CB -0.107 30.157 30.300 -0.060 0.000 0.850 151 R HN 0.299 nan 8.270 nan 0.000 0.433 152 K N 0.337 120.665 120.400 -0.120 0.000 2.062 152 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 152 K C 2.221 178.777 176.600 -0.074 0.000 1.051 152 K CA 1.240 57.455 56.287 -0.120 0.000 0.941 152 K CB -0.164 32.114 32.500 -0.369 0.000 0.719 152 K HN 0.217 nan 8.250 nan 0.000 0.440 153 L N 1.468 122.637 121.223 -0.090 0.000 2.137 153 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 153 L C 1.719 178.574 176.870 -0.025 0.000 1.085 153 L CA 1.169 55.987 54.840 -0.036 0.000 0.760 153 L CB -0.443 41.609 42.059 -0.011 0.000 0.893 153 L HN 0.265 nan 8.230 nan 0.000 0.434 154 D N -1.351 119.045 120.400 -0.007 0.000 2.213 154 D HA -0.180 4.460 4.640 -0.000 0.000 0.205 154 D C 1.885 178.222 176.300 0.062 0.000 0.961 154 D CA 0.729 54.736 54.000 0.012 0.000 0.853 154 D CB -0.073 40.731 40.800 0.007 0.000 0.967 154 D HN 0.298 nan 8.370 nan 0.000 0.496 155 Y N 1.818 122.069 120.300 -0.082 0.000 2.483 155 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 155 Y C 0.815 176.654 175.900 -0.100 0.000 1.143 155 Y CA 0.986 59.037 58.100 -0.082 0.000 1.289 155 Y CB -0.272 38.137 38.460 -0.086 0.000 0.983 155 Y HN 0.029 nan 8.280 nan 0.000 0.556 156 G N 2.172 110.897 108.800 -0.125 0.000 2.860 156 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.547 156 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.547 156 G C -1.109 173.570 174.900 -0.367 0.000 1.103 156 G CA -0.479 44.470 45.100 -0.252 0.000 1.126 156 G HN 0.204 nan 8.290 nan 0.000 0.490 157 Q N 1.192 120.864 119.800 -0.212 0.000 2.349 157 Q HA 0.338 4.678 4.340 -0.000 0.000 0.254 157 Q C 1.393 177.327 176.000 -0.111 0.000 0.980 157 Q CA -0.440 55.270 55.803 -0.156 0.000 0.924 157 Q CB 0.628 29.354 28.738 -0.020 0.000 1.209 157 Q HN 0.817 nan 8.270 nan 0.000 0.445 158 H N 0.286 119.312 119.070 -0.074 0.000 2.426 158 H HA -0.046 4.510 4.556 -0.000 0.000 0.298 158 H C 0.226 175.533 175.328 -0.035 0.000 1.107 158 H CA 0.808 56.822 56.048 -0.057 0.000 1.298 158 H CB 0.627 30.351 29.762 -0.064 0.000 1.377 158 H HN 0.180 nan 8.280 nan 0.000 0.519 159 V N 0.585 120.558 119.914 0.098 0.000 2.851 159 V HA 0.295 4.415 4.120 -0.000 0.000 0.307 159 V C -0.820 175.300 176.094 0.043 0.000 1.129 159 V CA -0.847 61.485 62.300 0.054 0.000 0.932 159 V CB 2.687 34.534 31.823 0.040 0.000 1.024 159 V HN -0.157 nan 8.190 nan 0.000 0.426 160 V N 2.605 122.537 119.914 0.029 0.000 2.823 160 V HA 0.975 5.095 4.120 -0.000 0.000 0.312 160 V C 0.031 176.122 176.094 -0.004 0.000 1.072 160 V CA -0.341 61.973 62.300 0.024 0.000 0.937 160 V CB 2.019 33.865 31.823 0.039 0.000 1.013 160 V HN 1.126 nan 8.190 nan 0.000 0.430 161 A N 2.222 125.022 122.820 -0.033 0.000 2.454 161 A HA 1.069 5.388 4.320 -0.000 0.000 0.302 161 A C -0.169 177.376 177.584 -0.065 0.000 1.079 161 A CA -0.074 51.936 52.037 -0.045 0.000 0.731 161 A CB 2.167 21.144 19.000 -0.039 0.000 1.299 161 A HN 1.759 nan 8.150 nan 0.000 0.413 162 G N -0.433 108.333 108.800 -0.057 0.000 2.338 162 G HA2 0.596 4.556 3.960 -0.000 0.000 0.295 162 G HA3 0.596 4.556 3.960 -0.000 0.000 0.295 162 G C -0.395 174.472 174.900 -0.055 0.000 1.461 162 G CA 0.158 45.228 45.100 -0.049 0.000 0.817 162 G HN 1.600 nan 8.290 nan 0.000 0.556 163 T N -0.513 114.017 114.554 -0.040 0.000 2.900 163 T HA 0.422 4.771 4.350 -0.000 0.000 0.307 163 T C -1.384 173.318 174.700 0.003 0.000 1.065 163 T CA -0.619 61.422 62.100 -0.099 0.000 1.105 163 T CB 1.623 70.499 68.868 0.013 0.000 0.979 163 T HN 0.150 nan 8.240 nan 0.000 0.544 164 P HA -0.058 nan 4.420 nan 0.000 0.216 164 P C 1.780 179.274 177.300 0.324 0.000 1.150 164 P CA 1.422 64.616 63.100 0.157 0.000 0.843 164 P CB -0.393 31.436 31.700 0.215 0.000 0.787 165 G N 0.079 109.162 108.800 0.472 0.000 2.524 165 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 165 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 165 G C 1.747 176.803 174.900 0.261 0.000 1.239 165 G CA 1.208 46.523 45.100 0.358 0.000 0.798 165 G HN 0.158 nan 8.290 nan 0.000 0.557 166 R N 0.028 120.645 120.500 0.195 0.000 2.096 166 R HA -0.102 4.238 4.340 -0.000 0.000 0.240 166 R C 2.633 179.000 176.300 0.111 0.000 1.139 166 R CA 1.942 58.114 56.100 0.120 0.000 0.952 166 R CB -0.918 29.434 30.300 0.087 0.000 0.854 166 R HN 0.232 nan 8.270 nan 0.000 0.436 167 V N 0.600 120.590 119.914 0.127 0.000 2.332 167 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 167 V C 2.107 178.306 176.094 0.175 0.000 1.055 167 V CA 1.944 64.314 62.300 0.116 0.000 1.038 167 V CB -0.837 31.042 31.823 0.094 0.000 0.651 167 V HN 0.336 nan 8.190 nan 0.000 0.450 168 F N 1.679 121.656 119.950 0.044 0.000 2.134 168 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 168 F C 2.128 177.911 175.800 -0.028 0.000 1.097 168 F CA 1.824 59.840 58.000 0.027 0.000 1.264 168 F CB -0.690 38.358 39.000 0.081 0.000 1.001 168 F HN 0.251 nan 8.300 nan 0.000 0.479 169 D N 0.121 120.472 120.400 -0.081 0.000 2.087 169 D HA -0.213 4.427 4.640 -0.000 0.000 0.192 169 D C 2.201 178.386 176.300 -0.192 0.000 0.993 169 D CA 1.768 55.634 54.000 -0.223 0.000 0.828 169 D CB -0.186 40.565 40.800 -0.081 0.000 0.968 169 D HN 0.109 nan 8.370 nan 0.000 0.448 170 M N 0.024 119.576 119.600 -0.080 0.000 2.337 170 M HA -0.118 4.361 4.480 -0.000 0.000 0.261 170 M C 2.210 178.449 176.300 -0.103 0.000 1.067 170 M CA 0.836 56.098 55.300 -0.065 0.000 1.074 170 M CB -0.819 31.778 32.600 -0.005 0.000 1.395 170 M HN 0.249 nan 8.290 nan 0.000 0.431 171 I N -0.927 119.560 120.570 -0.138 0.000 2.400 171 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 171 I C 2.602 178.495 176.117 -0.374 0.000 1.109 171 I CA 0.665 61.849 61.300 -0.195 0.000 1.425 171 I CB -0.410 37.517 38.000 -0.121 0.000 1.094 171 I HN 0.257 nan 8.210 nan 0.000 0.425 172 R N 1.936 122.131 120.500 -0.508 0.000 2.073 172 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 172 R C 2.043 178.164 176.300 -0.298 0.000 1.134 172 R CA 1.414 57.196 56.100 -0.531 0.000 0.952 172 R CB -0.261 29.620 30.300 -0.697 0.000 0.850 172 R HN 0.171 nan 8.270 nan 0.000 0.433 173 R N 0.353 120.714 120.500 -0.233 0.000 2.366 173 R HA 0.039 4.379 4.340 -0.000 0.000 0.201 173 R C 0.042 176.275 176.300 -0.111 0.000 1.057 173 R CA 0.478 56.492 56.100 -0.144 0.000 1.086 173 R CB -0.071 30.163 30.300 -0.111 0.000 0.914 173 R HN 0.200 nan 8.270 nan 0.000 0.476 174 R N -1.689 118.733 120.500 -0.129 0.000 3.946 174 R HA -0.193 4.147 4.340 -0.000 0.000 0.329 174 R C 0.836 177.099 176.300 -0.062 0.000 1.209 174 R CA 1.094 57.142 56.100 -0.087 0.000 0.909 174 R CB -2.437 27.826 30.300 -0.061 0.000 1.355 174 R HN 0.136 nan 8.270 nan 0.000 0.539 175 S N -0.867 114.794 115.700 -0.065 0.000 2.421 175 S HA 0.112 4.582 4.470 -0.000 0.000 0.224 175 S C 0.612 175.194 174.600 -0.031 0.000 1.035 175 S CA 0.360 58.535 58.200 -0.042 0.000 0.953 175 S CB 0.166 63.343 63.200 -0.038 0.000 0.810 175 S HN 0.246 nan 8.310 nan 0.000 0.497 176 L N 3.639 124.841 121.223 -0.034 0.000 2.265 176 L HA 0.407 4.747 4.340 -0.000 0.000 0.288 176 L C -0.514 176.347 176.870 -0.015 0.000 1.058 176 L CA -0.380 54.450 54.840 -0.016 0.000 0.809 176 L CB 0.453 42.509 42.059 -0.004 0.000 1.179 176 L HN -0.131 nan 8.230 nan 0.000 0.429 177 R N 3.605 124.100 120.500 -0.008 0.000 2.308 177 R HA 0.167 4.507 4.340 -0.000 0.000 0.325 177 R C 1.296 177.601 176.300 0.009 0.000 1.161 177 R CA 0.513 56.612 56.100 -0.002 0.000 1.022 177 R CB 0.121 30.416 30.300 -0.008 0.000 1.091 177 R HN 0.872 nan 8.270 nan 0.000 0.497 178 T N -0.286 114.281 114.554 0.022 0.000 2.812 178 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 178 T C 1.814 176.524 174.700 0.018 0.000 1.042 178 T CA 0.730 62.848 62.100 0.030 0.000 1.140 178 T CB 0.041 68.947 68.868 0.063 0.000 0.870 178 T HN 0.581 nan 8.240 nan 0.000 0.445 179 R N 1.748 122.260 120.500 0.019 0.000 2.327 179 R HA -0.303 4.037 4.340 -0.000 0.000 0.239 179 R C 2.075 178.378 176.300 0.005 0.000 1.085 179 R CA 2.519 58.626 56.100 0.011 0.000 0.890 179 R CB -1.174 29.132 30.300 0.009 0.000 0.983 179 R HN 0.564 nan 8.270 nan 0.000 0.419 180 A N 0.054 122.877 122.820 0.005 0.000 2.337 180 A HA 0.283 4.603 4.320 -0.000 0.000 0.227 180 A C 0.627 178.214 177.584 0.005 0.000 1.259 180 A CA -0.353 51.687 52.037 0.005 0.000 0.870 180 A CB 0.002 19.006 19.000 0.007 0.000 0.927 180 A HN 0.305 nan 8.150 nan 0.000 0.497 181 I N 0.900 121.472 120.570 0.002 0.000 2.556 181 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 181 I C 1.212 177.324 176.117 -0.008 0.000 1.114 181 I CA 0.184 61.483 61.300 -0.001 0.000 1.418 181 I CB 1.141 39.140 38.000 -0.002 0.000 1.394 181 I HN 0.450 nan 8.210 nan 0.000 0.552 182 K N 6.501 126.896 120.400 -0.008 0.000 2.501 182 K HA 0.401 4.721 4.320 -0.000 0.000 0.204 182 K C -0.229 176.362 176.600 -0.016 0.000 1.067 182 K CA -0.371 55.910 56.287 -0.010 0.000 1.060 182 K CB 0.903 33.400 32.500 -0.005 0.000 0.873 182 K HN 0.586 nan 8.250 nan 0.000 0.540 183 M N 1.813 121.399 119.600 -0.022 0.000 2.307 183 M HA 0.297 4.777 4.480 -0.000 0.000 0.279 183 M C -2.429 173.838 176.300 -0.054 0.000 1.080 183 M CA -0.957 54.321 55.300 -0.037 0.000 0.964 183 M CB 2.090 34.671 32.600 -0.031 0.000 1.825 183 M HN 0.192 nan 8.290 nan 0.000 0.489 184 L N 6.263 127.437 121.223 -0.082 0.000 2.313 184 L HA 0.836 5.176 4.340 -0.000 0.000 0.283 184 L C -1.863 174.903 176.870 -0.174 0.000 1.013 184 L CA -0.374 54.399 54.840 -0.112 0.000 0.816 184 L CB 1.949 43.943 42.059 -0.109 0.000 1.236 184 L HN 0.553 nan 8.230 nan 0.000 0.419 185 V N 6.701 126.494 119.914 -0.202 0.000 2.409 185 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 185 V C -0.096 175.809 176.094 -0.315 0.000 1.020 185 V CA -0.448 61.669 62.300 -0.306 0.000 0.848 185 V CB 1.604 33.172 31.823 -0.426 0.000 0.990 185 V HN 0.628 nan 8.190 nan 0.000 0.430 186 L N 4.495 125.532 121.223 -0.310 0.000 2.360 186 L HA 0.436 4.775 4.340 -0.000 0.000 0.265 186 L C 0.289 176.998 176.870 -0.268 0.000 1.066 186 L CA -0.242 54.443 54.840 -0.258 0.000 0.929 186 L CB 0.625 42.556 42.059 -0.213 0.000 1.306 186 L HN 0.610 nan 8.230 nan 0.000 0.434 187 D N 3.304 123.522 120.400 -0.303 0.000 2.372 187 D HA -0.035 4.605 4.640 -0.000 0.000 0.243 187 D C 0.414 176.631 176.300 -0.138 0.000 1.121 187 D CA 0.180 54.031 54.000 -0.248 0.000 0.898 187 D CB 0.891 41.565 40.800 -0.209 0.000 1.202 187 D HN 0.538 nan 8.370 nan 0.000 0.428 188 E N 0.914 121.066 120.200 -0.081 0.000 2.202 188 E HA -0.310 4.040 4.350 -0.000 0.000 0.214 188 E C 0.925 177.482 176.600 -0.072 0.000 1.303 188 E CA 0.271 56.639 56.400 -0.054 0.000 0.714 188 E CB -1.040 28.638 29.700 -0.037 0.000 1.130 188 E HN 0.531 nan 8.360 nan 0.000 0.356 189 A N 1.672 124.441 122.820 -0.085 0.000 1.865 189 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 189 A C 1.953 179.514 177.584 -0.038 0.000 1.191 189 A CA 2.030 54.021 52.037 -0.077 0.000 0.623 189 A CB -0.317 18.633 19.000 -0.083 0.000 0.826 189 A HN 0.626 nan 8.150 nan 0.000 0.444 190 D N -0.223 120.162 120.400 -0.026 0.000 2.149 190 D HA -0.261 4.378 4.640 -0.000 0.000 0.194 190 D C 1.580 177.887 176.300 0.013 0.000 1.001 190 D CA 1.906 55.906 54.000 0.000 0.000 0.849 190 D CB -0.594 40.209 40.800 0.004 0.000 0.939 190 D HN 0.472 nan 8.370 nan 0.000 0.449 191 E N 0.125 120.325 120.200 0.000 0.000 2.047 191 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 191 E C 2.463 179.077 176.600 0.023 0.000 0.987 191 E CA 0.771 57.178 56.400 0.012 0.000 0.799 191 E CB -0.270 29.428 29.700 -0.004 0.000 0.752 191 E HN 0.262 nan 8.360 nan 0.000 0.449 192 M N -0.048 119.534 119.600 -0.030 0.000 2.146 192 M HA -0.249 4.231 4.480 -0.000 0.000 0.256 192 M C 2.153 178.542 176.300 0.148 0.000 1.075 192 M CA 1.421 56.692 55.300 -0.048 0.000 1.082 192 M CB -0.766 31.762 32.600 -0.121 0.000 1.355 192 M HN 0.197 nan 8.290 nan 0.000 0.402 193 L N -0.573 120.712 121.223 0.104 0.000 2.095 193 L HA -0.157 4.183 4.340 -0.000 0.000 0.204 193 L C 1.914 178.858 176.870 0.123 0.000 1.080 193 L CA 0.972 55.887 54.840 0.125 0.000 0.759 193 L CB -0.887 41.220 42.059 0.081 0.000 0.914 193 L HN 0.284 nan 8.230 nan 0.000 0.439 194 N N 0.451 119.210 118.700 0.098 0.000 2.348 194 N HA -0.151 4.588 4.740 -0.000 0.000 0.185 194 N C 1.212 176.787 175.510 0.108 0.000 1.019 194 N CA 1.093 54.194 53.050 0.084 0.000 0.880 194 N CB -0.077 38.450 38.487 0.066 0.000 0.965 194 N HN 0.271 nan 8.380 nan 0.000 0.437 195 K N -0.114 120.395 120.400 0.182 0.000 2.410 195 K HA 0.189 4.509 4.320 -0.000 0.000 0.200 195 K C 0.201 176.916 176.600 0.191 0.000 1.023 195 K CA -0.012 56.421 56.287 0.242 0.000 1.149 195 K CB 0.315 33.074 32.500 0.432 0.000 0.859 195 K HN 0.139 nan 8.250 nan 0.000 0.514 196 G N 1.657 110.546 108.800 0.149 0.000 2.370 196 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.293 196 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.293 196 G C -0.005 174.875 174.900 -0.033 0.000 0.992 196 G CA -0.034 45.097 45.100 0.051 0.000 1.247 196 G HN 0.350 nan 8.290 nan 0.000 0.505 197 F N -0.153 119.819 119.950 0.037 0.000 2.661 197 F HA 0.277 4.804 4.527 -0.000 0.000 0.306 197 F C 2.153 177.984 175.800 0.053 0.000 1.094 197 F CA 0.212 58.236 58.000 0.040 0.000 1.254 197 F CB 0.350 39.367 39.000 0.027 0.000 1.040 197 F HN 0.378 nan 8.300 nan 0.000 0.562 198 K N 0.851 121.378 120.400 0.211 0.000 2.005 198 K HA -0.302 4.018 4.320 -0.000 0.000 0.229 198 K C 1.888 178.667 176.600 0.300 0.000 1.050 198 K CA 2.429 58.849 56.287 0.222 0.000 0.994 198 K CB -0.069 32.546 32.500 0.191 0.000 0.736 198 K HN 0.084 nan 8.250 nan 0.000 0.448 199 E N 0.563 120.888 120.200 0.209 0.000 2.049 199 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 199 E C 2.203 178.875 176.600 0.121 0.000 1.007 199 E CA 1.703 58.206 56.400 0.171 0.000 0.809 199 E CB -0.465 29.271 29.700 0.059 0.000 0.749 199 E HN 0.417 nan 8.360 nan 0.000 0.450 200 Q N 0.351 120.199 119.800 0.080 0.000 2.096 200 Q HA -0.172 4.168 4.340 -0.000 0.000 0.208 200 Q C 2.294 178.288 176.000 -0.009 0.000 0.993 200 Q CA 1.382 57.188 55.803 0.005 0.000 0.862 200 Q CB -0.307 28.538 28.738 0.180 0.000 0.915 200 Q HN 0.301 nan 8.270 nan 0.000 0.416 201 I N -0.526 120.098 120.570 0.090 0.000 2.076 201 I HA -0.319 3.850 4.170 -0.000 0.000 0.237 201 I C 1.985 178.141 176.117 0.066 0.000 1.059 201 I CA 1.797 63.122 61.300 0.042 0.000 1.317 201 I CB -1.397 36.590 38.000 -0.022 0.000 1.037 201 I HN 0.257 nan 8.210 nan 0.000 0.398 202 Y N 1.604 121.958 120.300 0.090 0.000 2.102 202 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 202 Y C 2.598 178.532 175.900 0.058 0.000 1.178 202 Y CA 1.994 60.150 58.100 0.094 0.000 1.146 202 Y CB -0.582 37.866 38.460 -0.020 0.000 0.968 202 Y HN 0.277 nan 8.280 nan 0.000 0.504 203 D N -0.534 119.891 120.400 0.041 0.000 2.104 203 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 203 D C 2.287 178.543 176.300 -0.074 0.000 0.994 203 D CA 1.755 55.640 54.000 -0.192 0.000 0.830 203 D CB -0.610 39.725 40.800 -0.774 0.000 0.959 203 D HN 0.193 nan 8.370 nan 0.000 0.452 204 V N 0.537 120.414 119.914 -0.061 0.000 2.490 204 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 204 V C 2.184 178.382 176.094 0.173 0.000 1.061 204 V CA 1.257 63.639 62.300 0.136 0.000 1.064 204 V CB -0.783 31.104 31.823 0.106 0.000 0.670 204 V HN 0.151 nan 8.190 nan 0.000 0.461 205 Y N 1.591 121.938 120.300 0.077 0.000 2.145 205 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 205 Y C 2.739 178.680 175.900 0.070 0.000 1.145 205 Y CA 1.629 59.777 58.100 0.080 0.000 1.148 205 Y CB -0.346 38.265 38.460 0.253 0.000 0.981 205 Y HN 0.101 nan 8.280 nan 0.000 0.507 206 R N -1.187 119.302 120.500 -0.018 0.000 2.113 206 R HA -0.265 4.074 4.340 -0.000 0.000 0.244 206 R C 2.049 178.169 176.300 -0.300 0.000 1.142 206 R CA 2.213 58.193 56.100 -0.201 0.000 0.953 206 R CB -1.052 29.113 30.300 -0.224 0.000 0.860 206 R HN 0.416 nan 8.270 nan 0.000 0.438 207 Y N 0.954 121.245 120.300 -0.016 0.000 2.421 207 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 207 Y C 1.064 176.928 175.900 -0.061 0.000 1.136 207 Y CA 0.314 58.416 58.100 0.004 0.000 1.255 207 Y CB -0.210 38.305 38.460 0.092 0.000 0.991 207 Y HN -0.033 nan 8.280 nan 0.000 0.552 208 L N 1.895 123.092 121.223 -0.043 0.000 2.452 208 L HA 0.149 4.489 4.340 -0.000 0.000 0.267 208 L C -1.799 174.960 176.870 -0.185 0.000 1.188 208 L CA -2.177 52.593 54.840 -0.117 0.000 0.821 208 L CB -0.038 41.914 42.059 -0.179 0.000 1.102 208 L HN -0.123 nan 8.230 nan 0.000 0.470 209 P HA 0.019 nan 4.420 nan 0.000 0.270 209 P C -2.142 175.079 177.300 -0.131 0.000 1.221 209 P CA -0.897 62.146 63.100 -0.095 0.000 0.788 209 P CB -0.136 31.533 31.700 -0.051 0.000 0.904 210 P HA -0.119 nan 4.420 nan 0.000 0.208 210 P C 0.155 177.442 177.300 -0.022 0.000 1.189 210 P CA 1.630 64.696 63.100 -0.057 0.000 0.931 210 P CB -0.388 31.294 31.700 -0.030 0.000 0.783 211 A N 0.057 122.874 122.820 -0.005 0.000 2.539 211 A HA 0.377 4.697 4.320 -0.000 0.000 0.306 211 A C -0.068 177.524 177.584 0.013 0.000 1.392 211 A CA 0.421 52.470 52.037 0.020 0.000 1.060 211 A CB -0.759 18.251 19.000 0.016 0.000 1.134 211 A HN 0.050 nan 8.150 nan 0.000 0.542 212 T N 2.380 116.957 114.554 0.037 0.000 2.829 212 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 212 T C -0.057 174.664 174.700 0.034 0.000 0.999 212 T CA -0.338 61.775 62.100 0.022 0.000 0.983 212 T CB 1.302 70.165 68.868 -0.007 0.000 0.968 212 T HN 0.766 nan 8.240 nan 0.000 0.446 213 Q N 2.671 122.471 119.800 -0.001 0.000 2.297 213 Q HA 0.405 4.745 4.340 -0.000 0.000 0.267 213 Q C -1.273 174.690 176.000 -0.060 0.000 1.006 213 Q CA -0.195 55.595 55.803 -0.022 0.000 0.896 213 Q CB 0.415 29.141 28.738 -0.020 0.000 1.186 213 Q HN 0.438 nan 8.270 nan 0.000 0.392 214 V N 5.095 124.948 119.914 -0.101 0.000 2.443 214 V HA 0.296 4.416 4.120 -0.000 0.000 0.293 214 V C -0.568 175.419 176.094 -0.178 0.000 1.021 214 V CA -0.863 61.323 62.300 -0.189 0.000 0.848 214 V CB 1.674 33.291 31.823 -0.344 0.000 0.998 214 V HN 0.596 nan 8.190 nan 0.000 0.424 215 V N 6.477 126.283 119.914 -0.180 0.000 2.333 215 V HA 0.412 4.532 4.120 -0.000 0.000 0.274 215 V C -0.111 175.857 176.094 -0.210 0.000 1.028 215 V CA -0.323 61.878 62.300 -0.166 0.000 0.851 215 V CB 1.528 33.257 31.823 -0.158 0.000 1.000 215 V HN 0.745 nan 8.190 nan 0.000 0.456 216 L N 6.599 127.716 121.223 -0.177 0.000 2.282 216 L HA 0.607 4.947 4.340 -0.000 0.000 0.288 216 L C -0.846 175.932 176.870 -0.152 0.000 1.033 216 L CA -0.394 54.338 54.840 -0.180 0.000 0.807 216 L CB 0.958 42.930 42.059 -0.146 0.000 1.209 216 L HN 0.392 nan 8.230 nan 0.000 0.423 217 I N 4.193 124.660 120.570 -0.171 0.000 2.377 217 I HA 0.519 4.688 4.170 -0.000 0.000 0.293 217 I C -0.065 176.002 176.117 -0.083 0.000 0.987 217 I CA -0.208 61.024 61.300 -0.114 0.000 1.185 217 I CB 1.396 39.322 38.000 -0.123 0.000 1.341 217 I HN 0.663 nan 8.210 nan 0.000 0.455 218 S N 3.522 119.192 115.700 -0.050 0.000 2.570 218 S HA 0.546 5.016 4.470 -0.000 0.000 0.286 218 S C 0.478 175.067 174.600 -0.018 0.000 1.143 218 S CA 0.071 58.248 58.200 -0.038 0.000 0.921 218 S CB 1.367 64.537 63.200 -0.052 0.000 1.108 218 S HN 0.741 nan 8.310 nan 0.000 0.456 219 A N 3.142 125.960 122.820 -0.003 0.000 1.908 219 A HA 0.195 4.515 4.320 -0.000 0.000 0.218 219 A C 1.321 178.909 177.584 0.007 0.000 1.181 219 A CA 2.090 54.133 52.037 0.008 0.000 0.627 219 A CB -1.046 17.963 19.000 0.016 0.000 0.818 219 A HN 1.473 nan 8.150 nan 0.000 0.445 220 T N -3.654 110.902 114.554 0.003 0.000 2.930 220 T HA 0.679 5.029 4.350 -0.000 0.000 0.290 220 T C -0.692 174.003 174.700 -0.009 0.000 1.052 220 T CA -0.749 61.356 62.100 0.008 0.000 1.017 220 T CB 1.559 70.441 68.868 0.022 0.000 1.137 220 T HN 0.140 nan 8.240 nan 0.000 0.511 221 L N 1.748 122.967 121.223 -0.008 0.000 2.490 221 L HA 0.397 4.737 4.340 -0.000 0.000 0.256 221 L C -2.583 174.276 176.870 -0.019 0.000 1.089 221 L CA -1.775 53.040 54.840 -0.042 0.000 0.916 221 L CB 1.445 43.431 42.059 -0.122 0.000 1.188 221 L HN 0.493 nan 8.230 nan 0.000 0.476 222 P HA 0.125 nan 4.420 nan 0.000 0.272 222 P C 0.129 177.491 177.300 0.103 0.000 1.240 222 P CA -0.347 62.817 63.100 0.107 0.000 0.791 222 P CB 0.472 32.258 31.700 0.144 0.000 0.978 223 H N -0.520 118.579 119.070 0.047 0.000 2.568 223 H HA -0.039 4.516 4.556 -0.000 0.000 0.275 223 H C 1.193 176.539 175.328 0.030 0.000 1.028 223 H CA 0.789 56.865 56.048 0.047 0.000 1.173 223 H CB -0.484 29.301 29.762 0.038 0.000 1.335 223 H HN 0.574 nan 8.280 nan 0.000 0.614 224 E N 0.094 120.386 120.200 0.154 0.000 2.508 224 E HA 0.033 4.383 4.350 -0.000 0.000 0.217 224 E C 1.237 177.870 176.600 0.054 0.000 0.896 224 E CA 0.043 56.497 56.400 0.090 0.000 1.118 224 E CB 0.370 30.119 29.700 0.082 0.000 1.133 224 E HN 0.245 nan 8.360 nan 0.000 0.526 225 I N 1.270 121.862 120.570 0.036 0.000 2.617 225 I HA -0.085 4.085 4.170 -0.000 0.000 0.256 225 I C 2.115 178.216 176.117 -0.025 0.000 1.167 225 I CA 0.656 61.954 61.300 -0.003 0.000 1.469 225 I CB -0.263 37.722 38.000 -0.026 0.000 1.098 225 I HN 0.273 nan 8.210 nan 0.000 0.436 226 L N 0.209 121.422 121.223 -0.016 0.000 2.072 226 L HA -0.140 4.200 4.340 -0.000 0.000 0.205 226 L C 2.485 179.347 176.870 -0.013 0.000 1.079 226 L CA 0.896 55.720 54.840 -0.027 0.000 0.752 226 L CB -0.471 41.595 42.059 0.012 0.000 0.906 226 L HN 0.072 nan 8.230 nan 0.000 0.436 227 E N 0.009 120.214 120.200 0.008 0.000 2.267 227 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 227 E C 2.006 178.580 176.600 -0.044 0.000 0.998 227 E CA 1.353 57.752 56.400 -0.001 0.000 0.830 227 E CB -0.065 29.649 29.700 0.025 0.000 0.751 227 E HN 0.396 nan 8.360 nan 0.000 0.491 228 M N -0.766 118.793 119.600 -0.069 0.000 2.429 228 M HA -0.096 4.383 4.480 -0.000 0.000 0.265 228 M C 1.974 178.169 176.300 -0.175 0.000 1.120 228 M CA 1.544 56.699 55.300 -0.242 0.000 1.173 228 M CB -0.167 32.316 32.600 -0.195 0.000 1.343 228 M HN 0.150 nan 8.290 nan 0.000 0.464 229 T N 0.608 115.161 114.554 -0.000 0.000 2.595 229 T HA -0.201 4.148 4.350 -0.000 0.000 0.264 229 T C 1.290 176.022 174.700 0.053 0.000 1.058 229 T CA 2.068 64.208 62.100 0.068 0.000 1.166 229 T CB -1.535 67.320 68.868 -0.022 0.000 0.863 229 T HN 0.606 nan 8.240 nan 0.000 0.415 230 N N 1.371 120.066 118.700 -0.010 0.000 2.520 230 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 230 N C 1.524 177.013 175.510 -0.035 0.000 1.068 230 N CA 0.877 53.921 53.050 -0.009 0.000 0.911 230 N CB -0.362 38.119 38.487 -0.009 0.000 0.961 230 N HN 0.485 nan 8.380 nan 0.000 0.446 231 K N 0.023 120.348 120.400 -0.125 0.000 2.366 231 K HA 0.073 4.393 4.320 -0.000 0.000 0.198 231 K C -0.246 176.229 176.600 -0.209 0.000 1.044 231 K CA 0.666 56.819 56.287 -0.222 0.000 0.973 231 K CB 0.003 32.294 32.500 -0.349 0.000 0.767 231 K HN 0.532 nan 8.250 nan 0.000 0.475 232 F N -1.763 118.043 119.950 -0.241 0.000 2.514 232 F HA 0.414 4.941 4.527 -0.000 0.000 0.374 232 F C -1.001 174.629 175.800 -0.283 0.000 1.532 232 F CA -1.174 56.587 58.000 -0.398 0.000 1.082 232 F CB 0.252 38.537 39.000 -1.192 0.000 1.610 232 F HN -0.253 nan 8.300 nan 0.000 0.531 233 M N 3.156 122.817 119.600 0.103 0.000 2.265 233 M HA 0.244 4.724 4.480 -0.000 0.000 0.251 233 M C -0.956 175.361 176.300 0.029 0.000 1.005 233 M CA -0.206 55.111 55.300 0.029 0.000 0.998 233 M CB 2.281 34.891 32.600 0.017 0.000 2.070 233 M HN 0.359 nan 8.290 nan 0.000 0.476 234 T N -0.290 114.281 114.554 0.027 0.000 2.806 234 T HA 0.351 4.701 4.350 -0.000 0.000 0.290 234 T C 0.105 174.818 174.700 0.021 0.000 0.966 234 T CA -0.393 61.721 62.100 0.023 0.000 1.060 234 T CB 1.168 70.049 68.868 0.022 0.000 0.927 234 T HN 0.759 nan 8.240 nan 0.000 0.485 235 D N 3.411 123.822 120.400 0.019 0.000 3.060 235 D HA -0.115 4.525 4.640 -0.000 0.000 0.209 235 D C -2.184 174.123 176.300 0.013 0.000 1.232 235 D CA 0.115 54.127 54.000 0.019 0.000 0.841 235 D CB -0.100 40.727 40.800 0.045 0.000 0.863 235 D HN 0.527 nan 8.370 nan 0.000 0.389 236 P HA 0.281 nan 4.420 nan 0.000 0.279 236 P C -0.067 177.227 177.300 -0.010 0.000 1.252 236 P CA -0.875 62.219 63.100 -0.010 0.000 0.811 236 P CB 0.912 32.597 31.700 -0.026 0.000 1.035 237 I N 2.483 123.047 120.570 -0.008 0.000 2.342 237 I HA 0.271 4.440 4.170 -0.000 0.000 0.291 237 I C 1.100 177.209 176.117 -0.015 0.000 1.010 237 I CA -0.461 60.839 61.300 -0.002 0.000 1.308 237 I CB 0.475 38.482 38.000 0.011 0.000 1.400 237 I HN 0.306 nan 8.210 nan 0.000 0.488 238 R N 6.647 127.142 120.500 -0.010 0.000 2.346 238 R HA 0.615 4.955 4.340 -0.000 0.000 0.311 238 R C -0.659 175.642 176.300 0.001 0.000 0.983 238 R CA -0.543 55.543 56.100 -0.022 0.000 0.880 238 R CB 1.735 32.026 30.300 -0.015 0.000 1.100 238 R HN 0.483 nan 8.270 nan 0.000 0.453 239 I N 6.177 126.743 120.570 -0.006 0.000 2.464 239 I HA 0.231 4.401 4.170 -0.000 0.000 0.277 239 I C -0.339 175.787 176.117 0.014 0.000 1.040 239 I CA -0.323 60.985 61.300 0.013 0.000 1.153 239 I CB 0.654 38.664 38.000 0.016 0.000 1.274 239 I HN 0.350 nan 8.210 nan 0.000 0.469 240 L N 4.582 125.826 121.223 0.034 0.000 2.492 240 L HA 0.555 4.895 4.340 -0.000 0.000 0.263 240 L C 1.031 177.928 176.870 0.045 0.000 1.062 240 L CA -0.756 54.112 54.840 0.046 0.000 0.817 240 L CB 0.973 43.090 42.059 0.098 0.000 1.441 240 L HN 0.177 nan 8.230 nan 0.000 0.493 241 V N -1.376 118.567 119.914 0.048 0.000 2.672 241 V HA 0.091 4.211 4.120 -0.000 0.000 0.242 241 V C 0.749 176.867 176.094 0.039 0.000 1.059 241 V CA 0.809 63.133 62.300 0.040 0.000 1.081 241 V CB -0.100 31.745 31.823 0.036 0.000 0.752 241 V HN 0.547 nan 8.190 nan 0.000 0.472 242 K N 1.338 121.766 120.400 0.047 0.000 2.118 242 K HA 0.353 4.673 4.320 -0.000 0.000 0.267 242 K C 0.086 176.707 176.600 0.034 0.000 0.991 242 K CA -0.643 55.665 56.287 0.035 0.000 0.916 242 K CB 1.425 33.943 32.500 0.029 0.000 1.041 242 K HN 0.125 nan 8.250 nan 0.000 0.455 243 R N 2.315 122.827 120.500 0.020 0.000 2.480 243 R HA -0.086 4.254 4.340 -0.000 0.000 0.303 243 R C -0.797 175.505 176.300 0.004 0.000 0.985 243 R CA 0.324 56.434 56.100 0.016 0.000 1.051 243 R CB 0.127 30.433 30.300 0.011 0.000 0.935 243 R HN 0.545 nan 8.270 nan 0.000 0.410 244 D N 3.765 124.172 120.400 0.011 0.000 2.217 244 D HA 0.157 4.796 4.640 -0.000 0.000 0.243 244 D C -1.095 175.196 176.300 -0.015 0.000 1.054 244 D CA -0.461 53.529 54.000 -0.017 0.000 0.838 244 D CB 1.092 41.899 40.800 0.011 0.000 1.162 244 D HN 0.611 nan 8.370 nan 0.000 0.472 245 E N 2.595 122.775 120.200 -0.033 0.000 2.288 245 E HA 0.421 4.771 4.350 -0.000 0.000 0.268 245 E C -0.729 175.854 176.600 -0.028 0.000 0.885 245 E CA -1.176 55.213 56.400 -0.019 0.000 0.767 245 E CB 1.352 31.049 29.700 -0.004 0.000 1.220 245 E HN 0.185 nan 8.360 nan 0.000 0.427 246 L N 2.198 123.408 121.223 -0.023 0.000 2.543 246 L HA 0.179 4.519 4.340 -0.000 0.000 0.285 246 L C 0.302 177.162 176.870 -0.016 0.000 1.236 246 L CA 1.228 56.048 54.840 -0.033 0.000 0.871 246 L CB 0.273 42.311 42.059 -0.035 0.000 1.121 246 L HN 0.904 nan 8.230 nan 0.000 0.501 247 T N 0.533 115.069 114.554 -0.030 0.000 3.291 247 T HA 0.421 4.771 4.350 -0.000 0.000 0.344 247 T C -0.001 174.677 174.700 -0.037 0.000 1.293 247 T CA -0.885 61.207 62.100 -0.014 0.000 1.108 247 T CB 0.629 69.491 68.868 -0.011 0.000 1.231 247 T HN 0.236 nan 8.240 nan 0.000 0.474 248 L N -0.110 121.090 121.223 -0.039 0.000 2.672 248 L HA 0.457 4.797 4.340 -0.000 0.000 0.236 248 L C 0.905 177.753 176.870 -0.035 0.000 1.186 248 L CA -0.300 54.506 54.840 -0.057 0.000 0.977 248 L CB -1.371 40.638 42.059 -0.084 0.000 1.203 248 L HN 0.746 nan 8.230 nan 0.000 0.448 249 E N 1.610 121.796 120.200 -0.024 0.000 2.414 249 E HA 0.282 4.632 4.350 -0.000 0.000 0.263 249 E C 1.232 177.816 176.600 -0.028 0.000 1.000 249 E CA 1.052 57.441 56.400 -0.019 0.000 0.914 249 E CB 0.587 30.277 29.700 -0.016 0.000 0.948 249 E HN 0.518 nan 8.360 nan 0.000 0.444 250 G N 3.997 112.782 108.800 -0.025 0.000 2.213 250 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.236 250 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.236 250 G C 0.373 175.248 174.900 -0.042 0.000 0.991 250 G CA 0.099 45.182 45.100 -0.027 0.000 0.629 250 G HN 0.524 nan 8.290 nan 0.000 0.517 251 I N 1.812 122.349 120.570 -0.055 0.000 2.331 251 I HA 0.298 4.467 4.170 -0.000 0.000 0.292 251 I C 0.034 176.075 176.117 -0.125 0.000 0.998 251 I CA -0.843 60.406 61.300 -0.084 0.000 1.267 251 I CB 1.330 39.276 38.000 -0.089 0.000 1.386 251 I HN -0.137 nan 8.210 nan 0.000 0.476 252 K N 7.139 127.425 120.400 -0.189 0.000 2.316 252 K HA 0.291 4.610 4.320 -0.000 0.000 0.289 252 K C -0.523 175.736 176.600 -0.567 0.000 1.070 252 K CA -0.198 55.858 56.287 -0.384 0.000 0.928 252 K CB 0.834 33.098 32.500 -0.395 0.000 1.039 252 K HN 0.568 nan 8.250 nan 0.000 0.480 253 Q N 2.926 122.406 119.800 -0.534 0.000 2.316 253 Q HA 0.561 4.901 4.340 -0.000 0.000 0.264 253 Q C -0.660 175.145 176.000 -0.324 0.000 0.987 253 Q CA -0.442 55.171 55.803 -0.318 0.000 0.852 253 Q CB 1.430 30.172 28.738 0.007 0.000 1.287 253 Q HN 0.405 nan 8.270 nan 0.000 0.448 254 F N 1.273 121.337 119.950 0.189 0.000 2.675 254 F HA 0.696 5.223 4.527 -0.000 0.000 0.324 254 F C -0.695 175.277 175.800 0.287 0.000 1.106 254 F CA -1.362 56.736 58.000 0.164 0.000 0.970 254 F CB 1.614 40.641 39.000 0.046 0.000 1.385 254 F HN 0.519 nan 8.300 nan 0.000 0.489 255 F N -0.752 119.421 119.950 0.371 0.000 2.591 255 F HA 0.819 5.346 4.527 -0.000 0.000 0.309 255 F C -1.982 173.949 175.800 0.219 0.000 1.098 255 F CA -1.340 56.831 58.000 0.284 0.000 0.937 255 F CB 1.024 40.151 39.000 0.211 0.000 1.250 255 F HN 0.129 nan 8.300 nan 0.000 0.447 256 V N 3.068 123.136 119.914 0.258 0.000 2.357 256 V HA 0.631 4.751 4.120 -0.000 0.000 0.284 256 V C 0.427 176.611 176.094 0.150 0.000 1.018 256 V CA -0.735 61.596 62.300 0.051 0.000 0.841 256 V CB 1.071 32.880 31.823 -0.023 0.000 0.991 256 V HN 1.103 nan 8.190 nan 0.000 0.437 257 A N 5.853 128.765 122.820 0.153 0.000 2.981 257 A HA 0.440 4.759 4.320 -0.000 0.000 0.280 257 A C 0.570 178.220 177.584 0.110 0.000 1.797 257 A CA -0.013 52.158 52.037 0.222 0.000 1.456 257 A CB -0.610 18.538 19.000 0.246 0.000 1.057 257 A HN 1.122 nan 8.150 nan 0.000 0.602 258 V N 0.147 120.106 119.914 0.074 0.000 3.751 258 V HA 0.332 4.452 4.120 -0.000 0.000 0.279 258 V C 0.799 176.984 176.094 0.153 0.000 1.010 258 V CA 0.521 62.865 62.300 0.074 0.000 1.015 258 V CB 0.492 32.316 31.823 0.001 0.000 1.240 258 V HN 0.757 nan 8.190 nan 0.000 0.438 259 E N -0.095 120.245 120.200 0.232 0.000 2.444 259 E HA 0.233 4.583 4.350 -0.000 0.000 0.203 259 E C 0.553 177.162 176.600 0.015 0.000 0.847 259 E CA -0.142 56.346 56.400 0.146 0.000 1.142 259 E CB 0.514 30.351 29.700 0.228 0.000 1.125 259 E HN 0.795 nan 8.360 nan 0.000 0.521 260 R N 0.798 121.268 120.500 -0.050 0.000 2.867 260 R HA 0.309 4.649 4.340 -0.000 0.000 0.268 260 R C 0.375 176.653 176.300 -0.037 0.000 1.014 260 R CA -0.487 55.533 56.100 -0.132 0.000 0.946 260 R CB 1.139 31.243 30.300 -0.326 0.000 1.208 260 R HN -0.234 nan 8.270 nan 0.000 0.477 261 E N 1.341 121.520 120.200 -0.035 0.000 2.097 261 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 261 E C 1.163 177.854 176.600 0.153 0.000 1.000 261 E CA 1.889 58.312 56.400 0.037 0.000 0.804 261 E CB 0.060 29.750 29.700 -0.015 0.000 0.740 261 E HN 0.597 nan 8.360 nan 0.000 0.454 262 E N -0.699 119.558 120.200 0.096 0.000 2.338 262 E HA -0.140 4.209 4.350 -0.000 0.000 0.197 262 E C 1.408 178.301 176.600 0.487 0.000 1.007 262 E CA 0.473 57.026 56.400 0.255 0.000 0.849 262 E CB -0.167 29.626 29.700 0.156 0.000 0.774 262 E HN 0.333 nan 8.360 nan 0.000 0.506 263 W N 0.733 122.113 121.300 0.133 0.000 2.863 263 W HA 0.191 4.851 4.660 -0.000 0.000 0.258 263 W C 1.488 178.062 176.519 0.092 0.000 1.298 263 W CA -0.166 57.235 57.345 0.094 0.000 1.451 263 W CB -0.161 29.319 29.460 0.033 0.000 1.107 263 W HN 0.051 nan 8.180 nan 0.000 0.641 264 K N -0.156 120.458 120.400 0.358 0.000 1.991 264 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 264 K C 1.958 178.840 176.600 0.470 0.000 1.049 264 K CA 1.806 58.270 56.287 0.295 0.000 0.932 264 K CB -0.946 31.720 32.500 0.276 0.000 0.717 264 K HN -0.081 nan 8.250 nan 0.000 0.441 265 F N 3.235 123.447 119.950 0.437 0.000 2.032 265 F HA -0.363 4.164 4.527 -0.000 0.000 0.297 265 F C 1.814 177.710 175.800 0.160 0.000 1.125 265 F CA 1.884 60.065 58.000 0.302 0.000 1.202 265 F CB -0.789 38.368 39.000 0.261 0.000 0.958 265 F HN 0.139 nan 8.300 nan 0.000 0.491 266 D N -0.378 119.941 120.400 -0.134 0.000 2.133 266 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 266 D C 2.184 178.373 176.300 -0.186 0.000 1.001 266 D CA 2.487 56.302 54.000 -0.308 0.000 0.844 266 D CB -0.733 39.957 40.800 -0.184 0.000 0.944 266 D HN 0.358 nan 8.370 nan 0.000 0.447 267 T N 1.377 115.872 114.554 -0.097 0.000 2.803 267 T HA -0.164 4.185 4.350 -0.000 0.000 0.269 267 T C 1.818 176.507 174.700 -0.017 0.000 1.052 267 T CA 0.491 62.509 62.100 -0.135 0.000 1.136 267 T CB -0.214 68.460 68.868 -0.322 0.000 0.864 267 T HN 0.034 nan 8.240 nan 0.000 0.467 268 L N 0.890 122.195 121.223 0.137 0.000 2.007 268 L HA 0.030 4.369 4.340 -0.000 0.000 0.205 268 L C 2.534 179.467 176.870 0.106 0.000 1.073 268 L CA 1.427 56.454 54.840 0.312 0.000 0.744 268 L CB -1.320 40.983 42.059 0.406 0.000 0.898 268 L HN 0.289 nan 8.230 nan 0.000 0.435 269 C N 0.338 119.573 119.300 -0.110 0.000 2.367 269 C HA -0.231 4.229 4.460 -0.000 0.000 0.276 269 C C 2.415 177.432 174.990 0.045 0.000 1.195 269 C CA 1.035 59.975 59.018 -0.130 0.000 1.756 269 C CB -1.268 26.294 27.740 -0.297 0.000 2.046 269 C HN 0.601 nan 8.230 nan 0.000 0.453 270 D N 0.198 120.589 120.400 -0.016 0.000 2.191 270 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 270 D C 1.791 178.126 176.300 0.058 0.000 1.003 270 D CA 1.427 55.431 54.000 0.008 0.000 0.867 270 D CB -0.411 40.364 40.800 -0.042 0.000 0.926 270 D HN 0.371 nan 8.370 nan 0.000 0.450 271 L N -0.423 120.857 121.223 0.095 0.000 2.131 271 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 271 L C 2.181 179.138 176.870 0.145 0.000 1.087 271 L CA 1.052 55.966 54.840 0.123 0.000 0.767 271 L CB -0.732 41.439 42.059 0.186 0.000 0.917 271 L HN -0.004 nan 8.230 nan 0.000 0.441 272 Y N 0.604 120.936 120.300 0.054 0.000 2.139 272 Y HA -0.338 4.212 4.550 -0.000 0.000 0.282 272 Y C 2.215 178.176 175.900 0.101 0.000 1.179 272 Y CA 2.250 60.386 58.100 0.060 0.000 1.161 272 Y CB -0.274 38.189 38.460 0.005 0.000 0.970 272 Y HN 0.314 nan 8.280 nan 0.000 0.511 273 D N -1.221 119.287 120.400 0.179 0.000 2.263 273 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 273 D C 1.704 177.976 176.300 -0.046 0.000 0.971 273 D CA 1.710 55.750 54.000 0.067 0.000 0.867 273 D CB -0.084 40.799 40.800 0.139 0.000 0.929 273 D HN 0.392 nan 8.370 nan 0.000 0.492 274 T N 0.687 115.223 114.554 -0.029 0.000 3.065 274 T HA 0.095 4.445 4.350 -0.000 0.000 0.252 274 T C 1.815 176.480 174.700 -0.059 0.000 1.099 274 T CA -0.208 61.873 62.100 -0.032 0.000 1.063 274 T CB 0.520 69.388 68.868 -0.000 0.000 0.948 274 T HN 0.152 nan 8.240 nan 0.000 0.506 275 L N 1.636 122.792 121.223 -0.112 0.000 1.993 275 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 275 L C 2.509 179.269 176.870 -0.182 0.000 1.074 275 L CA 1.679 56.441 54.840 -0.130 0.000 0.746 275 L CB -0.999 40.966 42.059 -0.156 0.000 0.896 275 L HN 0.238 nan 8.230 nan 0.000 0.435 276 T N -0.796 113.545 114.554 -0.354 0.000 2.946 276 T HA -0.255 4.095 4.350 -0.000 0.000 0.270 276 T C 1.731 176.347 174.700 -0.140 0.000 1.129 276 T CA 1.398 63.338 62.100 -0.267 0.000 1.103 276 T CB -0.943 67.736 68.868 -0.314 0.000 0.839 276 T HN 0.343 nan 8.240 nan 0.000 0.544 277 I N 1.679 122.180 120.570 -0.114 0.000 2.229 277 I HA -0.163 4.006 4.170 -0.000 0.000 0.250 277 I C 1.410 177.493 176.117 -0.058 0.000 1.096 277 I CA 1.523 62.783 61.300 -0.066 0.000 1.358 277 I CB -0.223 37.750 38.000 -0.045 0.000 1.047 277 I HN 0.503 nan 8.210 nan 0.000 0.422 278 T N -2.595 111.922 114.554 -0.062 0.000 2.804 278 T HA 0.407 4.757 4.350 -0.000 0.000 0.290 278 T C -0.349 174.314 174.700 -0.062 0.000 1.099 278 T CA -0.802 61.265 62.100 -0.054 0.000 1.011 278 T CB 1.047 69.898 68.868 -0.028 0.000 1.291 278 T HN 0.153 nan 8.240 nan 0.000 0.523 279 Q N 0.029 119.789 119.800 -0.067 0.000 2.370 279 Q HA 0.679 5.019 4.340 -0.000 0.000 0.186 279 Q C -0.508 175.528 176.000 0.060 0.000 1.093 279 Q CA -0.755 55.019 55.803 -0.048 0.000 1.142 279 Q CB 0.670 29.273 28.738 -0.226 0.000 1.175 279 Q HN 0.900 nan 8.270 nan 0.000 0.625 280 A N -0.331 122.600 122.820 0.186 0.000 2.590 280 A HA 0.503 4.823 4.320 -0.000 0.000 0.296 280 A C -1.658 176.017 177.584 0.152 0.000 1.050 280 A CA -0.590 51.532 52.037 0.141 0.000 0.697 280 A CB 1.253 20.300 19.000 0.078 0.000 1.277 280 A HN 0.307 nan 8.150 nan 0.000 0.411 281 V N 2.393 122.306 119.914 -0.002 0.000 2.448 281 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 281 V C -0.512 175.434 176.094 -0.247 0.000 1.025 281 V CA -0.213 61.951 62.300 -0.227 0.000 0.859 281 V CB 1.408 32.976 31.823 -0.425 0.000 0.988 281 V HN 0.679 nan 8.190 nan 0.000 0.431 282 I N 5.217 125.628 120.570 -0.264 0.000 2.362 282 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 282 I C -0.275 175.712 176.117 -0.216 0.000 0.994 282 I CA -0.088 61.107 61.300 -0.174 0.000 1.158 282 I CB 1.338 39.271 38.000 -0.111 0.000 1.315 282 I HN 0.419 nan 8.210 nan 0.000 0.451 283 F N 4.187 124.153 119.950 0.027 0.000 2.291 283 F HA 0.587 5.114 4.527 -0.000 0.000 0.305 283 F C 0.620 176.487 175.800 0.112 0.000 1.171 283 F CA 0.133 58.174 58.000 0.069 0.000 1.090 283 F CB 0.991 40.032 39.000 0.067 0.000 1.436 283 F HN 0.376 nan 8.300 nan 0.000 0.509 284 C N -0.015 119.522 119.300 0.395 0.000 3.253 284 C HA 0.152 4.611 4.460 -0.000 0.000 0.342 284 C C 0.361 175.493 174.990 0.237 0.000 1.306 284 C CA -1.166 58.036 59.018 0.306 0.000 1.207 284 C CB 1.448 29.337 27.740 0.248 0.000 1.479 284 C HN 0.827 nan 8.230 nan 0.000 0.469 285 N N -0.150 118.661 118.700 0.185 0.000 2.388 285 N HA 0.114 4.854 4.740 -0.000 0.000 0.176 285 N C 0.143 175.708 175.510 0.091 0.000 1.062 285 N CA 0.710 53.831 53.050 0.118 0.000 0.895 285 N CB 0.406 38.945 38.487 0.087 0.000 1.018 285 N HN 0.892 nan 8.380 nan 0.000 0.456 286 T N -3.413 111.202 114.554 0.102 0.000 2.906 286 T HA 0.337 4.687 4.350 -0.000 0.000 0.295 286 T C 0.677 175.414 174.700 0.063 0.000 1.061 286 T CA -0.925 61.213 62.100 0.063 0.000 1.000 286 T CB 2.792 71.686 68.868 0.044 0.000 1.103 286 T HN -0.130 nan 8.240 nan 0.000 0.486 287 K N 1.244 121.645 120.400 0.002 0.000 1.977 287 K HA -0.223 4.097 4.320 -0.000 0.000 0.218 287 K C 2.397 179.010 176.600 0.021 0.000 1.051 287 K CA 1.952 58.207 56.287 -0.053 0.000 0.953 287 K CB -0.319 32.042 32.500 -0.231 0.000 0.727 287 K HN 0.745 nan 8.250 nan 0.000 0.445 288 R N 0.669 121.176 120.500 0.011 0.000 2.185 288 R HA -0.209 4.130 4.340 -0.000 0.000 0.247 288 R C 2.048 178.426 176.300 0.130 0.000 1.159 288 R CA 2.133 58.266 56.100 0.054 0.000 0.988 288 R CB -0.350 29.962 30.300 0.019 0.000 0.871 288 R HN 0.185 nan 8.270 nan 0.000 0.458 289 K N 0.585 121.067 120.400 0.137 0.000 2.305 289 K HA 0.032 4.352 4.320 -0.000 0.000 0.199 289 K C 1.698 178.437 176.600 0.232 0.000 1.047 289 K CA 0.542 56.963 56.287 0.224 0.000 0.976 289 K CB 0.398 33.029 32.500 0.219 0.000 0.765 289 K HN 0.095 nan 8.250 nan 0.000 0.474 290 V N 1.154 121.166 119.914 0.163 0.000 2.300 290 V HA -0.184 3.936 4.120 -0.000 0.000 0.241 290 V C 1.507 177.654 176.094 0.089 0.000 1.034 290 V CA 1.692 64.056 62.300 0.106 0.000 1.021 290 V CB -0.406 31.491 31.823 0.124 0.000 0.662 290 V HN 0.286 nan 8.190 nan 0.000 0.458 291 D N -0.719 119.762 120.400 0.135 0.000 2.154 291 D HA -0.272 4.368 4.640 -0.000 0.000 0.190 291 D C 1.632 177.989 176.300 0.095 0.000 1.003 291 D CA 1.950 56.017 54.000 0.112 0.000 0.849 291 D CB -0.377 40.502 40.800 0.131 0.000 0.942 291 D HN 0.593 nan 8.370 nan 0.000 0.446 292 W N 1.188 122.475 121.300 -0.022 0.000 2.329 292 W HA -0.204 4.456 4.660 -0.000 0.000 0.324 292 W C 2.262 178.714 176.519 -0.111 0.000 1.222 292 W CA 1.266 58.580 57.345 -0.052 0.000 1.270 292 W CB -0.933 28.509 29.460 -0.031 0.000 1.167 292 W HN 0.033 nan 8.180 nan 0.000 0.467 293 L N 0.848 121.985 121.223 -0.143 0.000 2.043 293 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 293 L C 2.315 178.917 176.870 -0.447 0.000 1.075 293 L CA 2.920 57.478 54.840 -0.469 0.000 0.752 293 L CB -1.437 40.429 42.059 -0.323 0.000 0.891 293 L HN 0.043 nan 8.230 nan 0.000 0.432 294 T N -0.760 113.644 114.554 -0.250 0.000 2.569 294 T HA -0.273 4.077 4.350 -0.000 0.000 0.263 294 T C 1.691 176.259 174.700 -0.220 0.000 1.074 294 T CA 1.645 63.633 62.100 -0.186 0.000 1.176 294 T CB -0.351 68.461 68.868 -0.094 0.000 0.863 294 T HN 0.513 nan 8.240 nan 0.000 0.410 295 E N 0.689 120.766 120.200 -0.205 0.000 2.065 295 E HA -0.297 4.053 4.350 -0.000 0.000 0.201 295 E C 2.162 178.580 176.600 -0.303 0.000 1.016 295 E CA 1.666 57.949 56.400 -0.195 0.000 0.818 295 E CB -0.105 29.511 29.700 -0.141 0.000 0.749 295 E HN 0.149 nan 8.360 nan 0.000 0.453 296 K N -0.176 119.871 120.400 -0.589 0.000 2.280 296 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 296 K C 1.873 178.147 176.600 -0.543 0.000 1.047 296 K CA 1.205 57.023 56.287 -0.782 0.000 0.942 296 K CB 0.008 31.543 32.500 -1.608 0.000 0.739 296 K HN 0.234 nan 8.250 nan 0.000 0.457 297 M N -1.259 118.118 119.600 -0.372 0.000 2.486 297 M HA 0.042 4.522 4.480 -0.000 0.000 0.264 297 M C 1.688 178.083 176.300 0.158 0.000 1.125 297 M CA 0.784 56.025 55.300 -0.098 0.000 1.144 297 M CB 0.242 32.683 32.600 -0.264 0.000 1.353 297 M HN -0.004 nan 8.290 nan 0.000 0.466 298 R N 0.622 121.123 120.500 0.001 0.000 2.153 298 R HA -0.096 4.244 4.340 -0.000 0.000 0.218 298 R C 1.698 178.003 176.300 0.009 0.000 1.072 298 R CA 1.137 57.251 56.100 0.023 0.000 0.990 298 R CB -0.081 30.208 30.300 -0.017 0.000 0.889 298 R HN 0.492 nan 8.270 nan 0.000 0.452 299 E N 0.076 120.267 120.200 -0.016 0.000 2.511 299 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 299 E C 0.759 177.372 176.600 0.022 0.000 1.066 299 E CA 0.696 57.090 56.400 -0.010 0.000 0.871 299 E CB 0.373 30.055 29.700 -0.030 0.000 0.863 299 E HN 0.195 nan 8.360 nan 0.000 0.520 300 A N 1.900 124.766 122.820 0.076 0.000 2.564 300 A HA 0.132 4.452 4.320 -0.000 0.000 0.279 300 A C 0.183 177.639 177.584 -0.214 0.000 1.232 300 A CA -0.065 52.026 52.037 0.089 0.000 0.950 300 A CB -0.479 18.784 19.000 0.439 0.000 1.138 300 A HN 0.412 nan 8.150 nan 0.000 0.526 301 N N -0.670 117.934 118.700 -0.161 0.000 2.525 301 N HA -0.177 4.563 4.740 -0.000 0.000 0.283 301 N C -1.659 173.540 175.510 -0.518 0.000 1.259 301 N CA 0.373 53.262 53.050 -0.267 0.000 0.689 301 N CB -0.677 37.640 38.487 -0.283 0.000 0.899 301 N HN 0.221 nan 8.380 nan 0.000 0.541 302 F N 1.264 121.174 119.950 -0.066 0.000 2.689 302 F HA 0.182 4.709 4.527 -0.000 0.000 0.332 302 F C 0.554 176.340 175.800 -0.024 0.000 1.209 302 F CA -0.538 57.395 58.000 -0.111 0.000 1.028 302 F CB 1.730 40.533 39.000 -0.328 0.000 1.291 302 F HN 0.055 nan 8.300 nan 0.000 0.500 303 T N 4.552 119.254 114.554 0.246 0.000 2.761 303 T HA 0.502 4.851 4.350 -0.000 0.000 0.287 303 T C -0.725 174.088 174.700 0.188 0.000 0.931 303 T CA -0.044 62.162 62.100 0.177 0.000 1.164 303 T CB -0.644 68.317 68.868 0.155 0.000 0.876 303 T HN 0.582 nan 8.240 nan 0.000 0.534 304 V N 2.630 122.614 119.914 0.116 0.000 2.733 304 V HA 0.764 4.883 4.120 -0.000 0.000 0.306 304 V C -0.205 175.922 176.094 0.055 0.000 1.084 304 V CA -0.972 61.382 62.300 0.089 0.000 0.905 304 V CB 1.928 33.768 31.823 0.028 0.000 1.010 304 V HN 0.689 nan 8.190 nan 0.000 0.424 305 S N 2.610 118.350 115.700 0.068 0.000 2.608 305 S HA 0.922 5.392 4.470 -0.000 0.000 0.291 305 S C -0.036 174.555 174.600 -0.014 0.000 1.146 305 S CA -0.172 58.052 58.200 0.041 0.000 1.043 305 S CB 1.600 64.858 63.200 0.098 0.000 1.037 305 S HN 1.619 nan 8.310 nan 0.000 0.520 306 S N 1.462 117.130 115.700 -0.054 0.000 2.603 306 S HA 0.696 5.165 4.470 -0.000 0.000 0.274 306 S C -0.836 173.663 174.600 -0.168 0.000 1.168 306 S CA -1.020 57.123 58.200 -0.095 0.000 0.963 306 S CB 0.730 63.885 63.200 -0.074 0.000 1.078 306 S HN 0.751 nan 8.310 nan 0.000 0.477 307 M N 1.336 120.818 119.600 -0.196 0.000 2.501 307 M HA 0.905 5.385 4.480 -0.000 0.000 0.293 307 M C -0.917 175.239 176.300 -0.240 0.000 1.192 307 M CA -0.576 54.541 55.300 -0.306 0.000 0.886 307 M CB 1.831 34.277 32.600 -0.255 0.000 1.710 307 M HN 0.921 nan 8.290 nan 0.000 0.457 308 H N 0.169 119.180 119.070 -0.097 0.000 3.476 308 H HA 0.783 5.339 4.556 -0.000 0.000 0.317 308 H C 0.684 175.954 175.328 -0.097 0.000 1.674 308 H CA -0.528 55.470 56.048 -0.083 0.000 1.247 308 H CB 0.238 29.977 29.762 -0.037 0.000 1.740 308 H HN 0.704 nan 8.280 nan 0.000 0.667 309 G N -0.908 108.005 108.800 0.188 0.000 2.430 309 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 309 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 309 G C 0.173 175.131 174.900 0.097 0.000 1.146 309 G CA 0.493 45.635 45.100 0.071 0.000 0.793 309 G HN 0.648 nan 8.290 nan 0.000 0.537 310 D N 0.905 121.405 120.400 0.166 0.000 2.396 310 D HA 0.117 4.757 4.640 -0.000 0.000 0.255 310 D C 0.767 177.156 176.300 0.148 0.000 1.224 310 D CA 0.488 54.550 54.000 0.105 0.000 0.894 310 D CB 0.038 40.839 40.800 0.000 0.000 0.939 310 D HN 0.323 nan 8.370 nan 0.000 0.506 311 M N 0.658 120.325 119.600 0.110 0.000 2.716 311 M HA 0.342 4.822 4.480 -0.000 0.000 0.307 311 M C -2.400 173.895 176.300 -0.008 0.000 1.223 311 M CA -2.137 53.179 55.300 0.026 0.000 0.871 311 M CB 2.453 35.019 32.600 -0.057 0.000 1.739 311 M HN -0.322 nan 8.290 nan 0.000 0.475 312 P HA 0.011 nan 4.420 nan 0.000 0.271 312 P C -0.459 176.826 177.300 -0.024 0.000 1.226 312 P CA 0.102 63.193 63.100 -0.015 0.000 0.765 312 P CB 0.847 32.541 31.700 -0.009 0.000 0.835 313 Q N 2.886 122.676 119.800 -0.018 0.000 2.585 313 Q HA -0.169 4.171 4.340 -0.000 0.000 0.219 313 Q C 1.482 177.477 176.000 -0.008 0.000 0.984 313 Q CA 1.588 57.382 55.803 -0.016 0.000 0.915 313 Q CB -0.329 28.407 28.738 -0.005 0.000 0.967 313 Q HN 0.492 nan 8.270 nan 0.000 0.530 314 K N -1.373 119.022 120.400 -0.008 0.000 2.502 314 K HA 0.056 4.376 4.320 -0.000 0.000 0.211 314 K C 1.277 177.874 176.600 -0.005 0.000 1.259 314 K CA 0.403 56.689 56.287 -0.001 0.000 0.983 314 K CB 0.358 32.861 32.500 0.004 0.000 1.054 314 K HN 0.244 nan 8.250 nan 0.000 0.572 315 E N 0.655 120.846 120.200 -0.016 0.000 2.251 315 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 315 E C 1.462 178.041 176.600 -0.035 0.000 0.964 315 E CA 0.016 56.403 56.400 -0.021 0.000 0.868 315 E CB 0.349 30.033 29.700 -0.026 0.000 0.828 315 E HN 0.117 nan 8.360 nan 0.000 0.481 316 R N 1.263 121.731 120.500 -0.053 0.000 2.082 316 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 316 R C 2.432 178.705 176.300 -0.045 0.000 1.136 316 R CA 1.937 57.986 56.100 -0.084 0.000 0.935 316 R CB -0.745 29.484 30.300 -0.118 0.000 0.842 316 R HN 0.420 nan 8.270 nan 0.000 0.430 317 E N 0.690 120.880 120.200 -0.017 0.000 2.409 317 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 317 E C 1.741 178.364 176.600 0.038 0.000 1.024 317 E CA 1.187 57.604 56.400 0.029 0.000 0.861 317 E CB -0.059 29.663 29.700 0.037 0.000 0.788 317 E HN 0.111 nan 8.360 nan 0.000 0.521 318 S N 0.241 115.953 115.700 0.019 0.000 2.406 318 S HA -0.046 4.423 4.470 -0.000 0.000 0.228 318 S C 1.882 176.503 174.600 0.036 0.000 1.020 318 S CA 0.562 58.777 58.200 0.024 0.000 0.965 318 S CB -0.078 63.128 63.200 0.010 0.000 0.798 318 S HN 0.284 nan 8.310 nan 0.000 0.488 319 I N 1.867 122.453 120.570 0.027 0.000 2.202 319 I HA -0.087 4.082 4.170 -0.000 0.000 0.242 319 I C 2.442 178.624 176.117 0.109 0.000 1.091 319 I CA 1.094 62.421 61.300 0.045 0.000 1.368 319 I CB -1.461 36.541 38.000 0.003 0.000 1.058 319 I HN 0.349 nan 8.210 nan 0.000 0.410 320 M N 1.156 120.824 119.600 0.114 0.000 2.088 320 M HA -0.247 4.233 4.480 -0.000 0.000 0.256 320 M C 2.212 178.633 176.300 0.201 0.000 1.071 320 M CA 1.747 57.164 55.300 0.195 0.000 1.097 320 M CB -1.295 31.412 32.600 0.180 0.000 1.315 320 M HN 0.269 nan 8.290 nan 0.000 0.406 321 K N 0.092 120.568 120.400 0.126 0.000 2.032 321 K HA -0.249 4.071 4.320 -0.000 0.000 0.218 321 K C 1.889 178.544 176.600 0.092 0.000 1.054 321 K CA 2.172 58.515 56.287 0.094 0.000 0.941 321 K CB -0.508 32.029 32.500 0.061 0.000 0.720 321 K HN 0.494 nan 8.250 nan 0.000 0.449 322 E N 0.194 120.450 120.200 0.092 0.000 2.021 322 E HA -0.235 4.115 4.350 -0.000 0.000 0.200 322 E C 1.935 178.580 176.600 0.075 0.000 1.015 322 E CA 1.720 58.164 56.400 0.073 0.000 0.824 322 E CB -0.347 29.400 29.700 0.079 0.000 0.762 322 E HN 0.269 nan 8.360 nan 0.000 0.454 323 F N 2.015 121.981 119.950 0.025 0.000 2.065 323 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 323 F C 2.279 178.092 175.800 0.022 0.000 1.112 323 F CA 1.915 59.930 58.000 0.026 0.000 1.212 323 F CB -0.002 39.019 39.000 0.036 0.000 0.975 323 F HN -0.140 nan 8.300 nan 0.000 0.476 324 R N -0.450 120.161 120.500 0.185 0.000 2.189 324 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 324 R C 2.429 178.691 176.300 -0.063 0.000 1.092 324 R CA 1.087 57.228 56.100 0.068 0.000 0.989 324 R CB -0.960 29.437 30.300 0.161 0.000 0.876 324 R HN 0.321 nan 8.270 nan 0.000 0.457 325 S N 0.152 115.826 115.700 -0.044 0.000 2.368 325 S HA -0.056 4.413 4.470 -0.000 0.000 0.225 325 S C 1.508 176.053 174.600 -0.091 0.000 1.030 325 S CA 1.597 59.770 58.200 -0.044 0.000 0.999 325 S CB -0.234 62.959 63.200 -0.013 0.000 0.844 325 S HN 0.678 nan 8.310 nan 0.000 0.459 326 G N -0.755 107.948 108.800 -0.162 0.000 2.159 326 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.170 326 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.170 326 G C 0.614 175.447 174.900 -0.111 0.000 1.007 326 G CA 0.198 45.200 45.100 -0.163 0.000 0.672 326 G HN 0.970 nan 8.290 nan 0.000 0.507 327 A N -0.263 122.502 122.820 -0.091 0.000 2.178 327 A HA 0.657 4.977 4.320 -0.000 0.000 0.211 327 A C 1.279 178.849 177.584 -0.024 0.000 1.157 327 A CA 1.693 53.707 52.037 -0.039 0.000 0.780 327 A CB 0.003 18.996 19.000 -0.011 0.000 0.828 327 A HN 1.839 nan 8.150 nan 0.000 0.476 328 S N -1.582 114.083 115.700 -0.058 0.000 2.649 328 S HA 0.509 4.979 4.470 -0.000 0.000 0.274 328 S C 0.176 174.735 174.600 -0.069 0.000 1.176 328 S CA -0.848 57.354 58.200 0.004 0.000 0.988 328 S CB 1.389 64.650 63.200 0.102 0.000 1.071 328 S HN 0.199 nan 8.310 nan 0.000 0.478 329 R N 1.150 121.648 120.500 -0.004 0.000 2.093 329 R HA 0.174 4.513 4.340 -0.000 0.000 0.224 329 R C 0.071 176.438 176.300 0.111 0.000 1.101 329 R CA 0.754 56.844 56.100 -0.016 0.000 0.979 329 R CB -0.156 30.145 30.300 0.002 0.000 0.877 329 R HN 0.575 nan 8.270 nan 0.000 0.441 330 V N 2.361 122.405 119.914 0.217 0.000 2.443 330 V HA 0.243 4.363 4.120 -0.000 0.000 0.293 330 V C -0.975 175.260 176.094 0.236 0.000 1.021 330 V CA -0.973 61.482 62.300 0.258 0.000 0.848 330 V CB 1.808 33.815 31.823 0.307 0.000 0.998 330 V HN 0.002 nan 8.190 nan 0.000 0.424 331 L N 7.271 128.618 121.223 0.207 0.000 2.313 331 L HA 0.690 5.030 4.340 -0.000 0.000 0.283 331 L C -0.730 176.067 176.870 -0.122 0.000 1.013 331 L CA 0.157 55.003 54.840 0.010 0.000 0.816 331 L CB 1.327 43.224 42.059 -0.270 0.000 1.236 331 L HN 0.554 nan 8.230 nan 0.000 0.419 332 I N 5.203 125.707 120.570 -0.109 0.000 2.330 332 I HA 0.550 4.720 4.170 -0.000 0.000 0.289 332 I C -0.117 175.927 176.117 -0.121 0.000 1.001 332 I CA -0.023 61.197 61.300 -0.133 0.000 1.193 332 I CB 1.428 39.359 38.000 -0.114 0.000 1.345 332 I HN 0.872 nan 8.210 nan 0.000 0.461 333 S N 3.373 118.990 115.700 -0.138 0.000 2.671 333 S HA 0.677 5.147 4.470 -0.000 0.000 0.277 333 S C -0.302 174.368 174.600 0.117 0.000 1.165 333 S CA -0.627 57.545 58.200 -0.046 0.000 0.822 333 S CB 1.925 65.067 63.200 -0.097 0.000 1.150 333 S HN 0.570 nan 8.310 nan 0.000 0.479 334 T N -1.158 113.492 114.554 0.160 0.000 2.897 334 T HA 0.461 4.811 4.350 -0.000 0.000 0.278 334 T C -0.550 174.356 174.700 0.345 0.000 0.981 334 T CA -0.554 61.692 62.100 0.244 0.000 0.973 334 T CB 0.705 69.661 68.868 0.147 0.000 1.092 334 T HN 0.614 nan 8.240 nan 0.000 0.543 335 D N 0.864 121.444 120.400 0.301 0.000 2.374 335 D HA 0.145 4.785 4.640 -0.000 0.000 0.240 335 D C 0.579 176.985 176.300 0.178 0.000 1.229 335 D CA -0.116 54.078 54.000 0.323 0.000 0.895 335 D CB 0.993 41.843 40.800 0.082 0.000 1.046 335 D HN 0.391 nan 8.370 nan 0.000 0.498 336 V N 5.678 125.647 119.914 0.092 0.000 2.922 336 V HA 0.111 4.231 4.120 -0.000 0.000 0.242 336 V C 0.537 176.593 176.094 -0.062 0.000 1.094 336 V CA -0.201 62.024 62.300 -0.125 0.000 1.106 336 V CB 0.059 31.637 31.823 -0.409 0.000 0.799 336 V HN 0.506 nan 8.190 nan 0.000 0.474 337 W N 0.337 121.725 121.300 0.146 0.000 2.347 337 W HA 0.211 4.871 4.660 -0.000 0.000 0.333 337 W C 1.305 177.937 176.519 0.188 0.000 1.383 337 W CA 0.448 57.877 57.345 0.140 0.000 1.283 337 W CB 0.196 29.733 29.460 0.128 0.000 1.253 337 W HN 0.339 nan 8.180 nan 0.000 0.563 338 A N 4.938 127.948 122.820 0.317 0.000 1.843 338 A HA -0.033 4.286 4.320 -0.000 0.000 0.213 338 A C 1.399 179.158 177.584 0.292 0.000 1.202 338 A CA 0.645 52.827 52.037 0.241 0.000 0.607 338 A CB -0.271 18.814 19.000 0.141 0.000 0.847 338 A HN 0.581 nan 8.150 nan 0.000 0.445 339 R N -1.235 119.400 120.500 0.225 0.000 2.801 339 R HA 0.262 4.601 4.340 -0.000 0.000 0.273 339 R C 1.565 177.900 176.300 0.058 0.000 1.080 339 R CA 0.254 56.439 56.100 0.142 0.000 1.197 339 R CB 0.114 30.467 30.300 0.088 0.000 1.109 339 R HN 0.363 nan 8.270 nan 0.000 0.535 340 G N 0.766 109.532 108.800 -0.055 0.000 2.456 340 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.213 340 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.213 340 G C 1.123 175.826 174.900 -0.329 0.000 1.215 340 G CA 0.205 45.108 45.100 -0.328 0.000 0.805 340 G HN 0.318 nan 8.290 nan 0.000 0.537 341 L N 1.377 122.499 121.223 -0.168 0.000 2.187 341 L HA 0.002 4.342 4.340 -0.000 0.000 0.213 341 L C 1.581 178.345 176.870 -0.176 0.000 1.100 341 L CA 0.963 55.714 54.840 -0.148 0.000 0.765 341 L CB -0.465 41.551 42.059 -0.070 0.000 0.904 341 L HN 0.123 nan 8.230 nan 0.000 0.437 342 D N 0.750 121.065 120.400 -0.143 0.000 2.413 342 D HA 0.003 4.643 4.640 -0.000 0.000 0.262 342 D C 0.071 176.069 176.300 -0.504 0.000 1.254 342 D CA 0.320 54.234 54.000 -0.143 0.000 0.942 342 D CB -0.096 40.744 40.800 0.066 0.000 0.937 342 D HN 0.223 nan 8.370 nan 0.000 0.508 343 V N -1.651 117.894 119.914 -0.614 0.000 2.547 343 V HA 0.461 4.580 4.120 -0.000 0.000 0.299 343 V C -2.475 173.225 176.094 -0.658 0.000 1.040 343 V CA -2.292 59.379 62.300 -1.050 0.000 0.913 343 V CB 1.490 32.886 31.823 -0.712 0.000 0.992 343 V HN -0.187 nan 8.190 nan 0.000 0.449 344 P HA -0.012 nan 4.420 nan 0.000 0.259 344 P C 0.058 177.258 177.300 -0.166 0.000 1.163 344 P CA 0.491 63.420 63.100 -0.284 0.000 0.760 344 P CB 0.266 31.814 31.700 -0.254 0.000 0.762 345 Q N 1.237 120.992 119.800 -0.075 0.000 2.307 345 Q HA 0.088 4.428 4.340 -0.000 0.000 0.216 345 Q C 0.883 176.881 176.000 -0.004 0.000 0.931 345 Q CA -0.276 55.497 55.803 -0.049 0.000 0.953 345 Q CB -0.321 28.398 28.738 -0.031 0.000 1.006 345 Q HN 0.328 nan 8.270 nan 0.000 0.472 346 V N 1.532 121.466 119.914 0.034 0.000 3.209 346 V HA -0.141 3.979 4.120 -0.000 0.000 0.305 346 V C 1.326 177.436 176.094 0.026 0.000 1.127 346 V CA 1.270 63.617 62.300 0.077 0.000 1.235 346 V CB 1.344 33.274 31.823 0.177 0.000 0.987 346 V HN 0.570 nan 8.190 nan 0.000 0.499 347 S N 4.447 120.162 115.700 0.025 0.000 2.528 347 S HA 0.213 4.682 4.470 -0.000 0.000 0.219 347 S C 0.014 174.622 174.600 0.014 0.000 0.985 347 S CA 0.098 58.303 58.200 0.009 0.000 0.914 347 S CB 0.040 63.243 63.200 0.006 0.000 0.776 347 S HN 0.750 nan 8.310 nan 0.000 0.526 348 L N 1.785 123.025 121.223 0.027 0.000 2.438 348 L HA 0.613 4.953 4.340 -0.000 0.000 0.270 348 L C -1.742 175.147 176.870 0.033 0.000 0.972 348 L CA -0.878 53.982 54.840 0.033 0.000 0.831 348 L CB 1.715 43.800 42.059 0.043 0.000 1.273 348 L HN 0.059 nan 8.230 nan 0.000 0.405 349 I N 6.354 126.942 120.570 0.030 0.000 2.436 349 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 349 I C -0.411 175.737 176.117 0.052 0.000 1.010 349 I CA -0.410 60.917 61.300 0.044 0.000 1.098 349 I CB 1.902 39.943 38.000 0.070 0.000 1.266 349 I HN 0.544 nan 8.210 nan 0.000 0.434 350 I N 5.830 126.422 120.570 0.036 0.000 2.359 350 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 350 I C 0.114 176.239 176.117 0.013 0.000 1.018 350 I CA -0.531 60.751 61.300 -0.030 0.000 1.173 350 I CB 0.910 38.833 38.000 -0.128 0.000 1.326 350 I HN 0.396 nan 8.210 nan 0.000 0.462 351 N N 5.661 124.385 118.700 0.039 0.000 2.402 351 N HA -0.039 4.701 4.740 -0.000 0.000 0.259 351 N C 0.606 176.122 175.510 0.009 0.000 1.167 351 N CA 0.107 53.225 53.050 0.112 0.000 0.949 351 N CB 0.630 39.189 38.487 0.120 0.000 1.212 351 N HN 0.540 nan 8.380 nan 0.000 0.493 352 Y N 1.623 121.867 120.300 -0.092 0.000 2.439 352 Y HA -0.035 4.515 4.550 -0.000 0.000 0.292 352 Y C -0.381 175.590 175.900 0.117 0.000 1.130 352 Y CA 0.806 58.829 58.100 -0.129 0.000 1.254 352 Y CB 0.488 38.954 38.460 0.010 0.000 1.000 352 Y HN 0.324 nan 8.280 nan 0.000 0.554 353 D N -0.081 120.415 120.400 0.160 0.000 2.896 353 D HA 0.278 4.918 4.640 -0.000 0.000 0.241 353 D C -0.976 175.397 176.300 0.123 0.000 1.188 353 D CA -0.385 53.680 54.000 0.108 0.000 0.879 353 D CB 1.861 42.744 40.800 0.139 0.000 1.553 353 D HN -0.061 nan 8.370 nan 0.000 0.515 354 L N 3.076 124.366 121.223 0.112 0.000 2.439 354 L HA 0.289 4.629 4.340 -0.000 0.000 0.269 354 L C -1.820 175.104 176.870 0.091 0.000 1.179 354 L CA -1.178 53.739 54.840 0.128 0.000 0.828 354 L CB 0.564 42.683 42.059 0.101 0.000 1.106 354 L HN 0.129 nan 8.230 nan 0.000 0.467 355 P HA 0.085 nan 4.420 nan 0.000 0.282 355 P C -0.881 176.431 177.300 0.022 0.000 1.249 355 P CA -0.532 62.596 63.100 0.047 0.000 0.806 355 P CB 0.942 32.666 31.700 0.040 0.000 0.984 356 N N 3.254 121.952 118.700 -0.003 0.000 3.209 356 N HA 0.058 4.798 4.740 -0.000 0.000 0.309 356 N C -0.318 175.164 175.510 -0.046 0.000 1.384 356 N CA 0.172 53.208 53.050 -0.023 0.000 1.173 356 N CB -0.517 37.959 38.487 -0.019 0.000 1.460 356 N HN 0.555 nan 8.380 nan 0.000 0.534 357 N N 0.004 118.666 118.700 -0.062 0.000 4.647 357 N HA -0.098 4.641 4.740 -0.000 0.000 0.168 357 N C -0.638 174.793 175.510 -0.131 0.000 1.199 357 N CA -0.542 52.446 53.050 -0.103 0.000 0.960 357 N CB 0.300 38.740 38.487 -0.079 0.000 1.638 357 N HN 0.055 nan 8.380 nan 0.000 0.911 358 R N 1.702 122.047 120.500 -0.259 0.000 4.432 358 R HA -0.006 4.333 4.340 -0.000 0.000 0.165 358 R C -0.488 175.500 176.300 -0.520 0.000 1.929 358 R CA 0.636 56.502 56.100 -0.390 0.000 1.469 358 R CB -0.619 29.265 30.300 -0.695 0.000 1.368 358 R HN 0.702 nan 8.270 nan 0.000 0.811 359 E N 0.914 121.070 120.200 -0.073 0.000 2.713 359 E HA 0.027 4.377 4.350 -0.000 0.000 0.199 359 E C 0.056 176.779 176.600 0.205 0.000 0.940 359 E CA 0.036 56.508 56.400 0.120 0.000 1.310 359 E CB 0.150 29.881 29.700 0.052 0.000 1.129 359 E HN 0.421 nan 8.360 nan 0.000 0.557 360 L N -1.706 119.609 121.223 0.154 0.000 3.217 360 L HA 0.471 4.810 4.340 -0.000 0.000 0.288 360 L C 1.325 178.244 176.870 0.080 0.000 1.202 360 L CA -0.138 54.751 54.840 0.081 0.000 1.027 360 L CB -1.083 40.896 42.059 -0.133 0.000 1.427 360 L HN 0.049 nan 8.230 nan 0.000 0.600 361 Y N 0.101 120.422 120.300 0.035 0.000 2.314 361 Y HA 0.012 4.562 4.550 -0.000 0.000 0.293 361 Y C 2.235 178.049 175.900 -0.143 0.000 1.129 361 Y CA 1.628 59.702 58.100 -0.043 0.000 1.201 361 Y CB 0.240 38.721 38.460 0.035 0.000 0.999 361 Y HN 0.228 nan 8.280 nan 0.000 0.541 362 I N 0.140 120.674 120.570 -0.061 0.000 2.480 362 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 362 I C 2.424 178.478 176.117 -0.106 0.000 1.124 362 I CA 1.569 62.720 61.300 -0.248 0.000 1.444 362 I CB -0.977 36.890 38.000 -0.222 0.000 1.098 362 I HN 0.453 nan 8.210 nan 0.000 0.428 363 H N 1.652 120.668 119.070 -0.090 0.000 2.387 363 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 363 H C 2.186 177.409 175.328 -0.175 0.000 1.099 363 H CA 1.973 57.971 56.048 -0.083 0.000 1.315 363 H CB 0.088 29.829 29.762 -0.035 0.000 1.380 363 H HN 0.271 nan 8.280 nan 0.000 0.513 364 R N 0.183 120.625 120.500 -0.096 0.000 2.052 364 R HA 0.011 4.350 4.340 -0.000 0.000 0.226 364 R C 2.866 179.017 176.300 -0.248 0.000 1.145 364 R CA 1.614 57.534 56.100 -0.300 0.000 0.952 364 R CB -0.119 29.801 30.300 -0.634 0.000 0.847 364 R HN 0.518 nan 8.270 nan 0.000 0.431 365 I N -1.945 118.420 120.570 -0.342 0.000 3.030 365 I HA 0.269 4.439 4.170 -0.000 0.000 0.270 365 I C 0.954 176.941 176.117 -0.216 0.000 1.211 365 I CA 0.087 61.223 61.300 -0.274 0.000 1.479 365 I CB -0.346 37.424 38.000 -0.385 0.000 1.105 365 I HN -0.013 nan 8.210 nan 0.000 0.447 366 G N 2.671 111.338 108.800 -0.223 0.000 2.559 366 G HA2 0.238 4.198 3.960 -0.000 0.000 0.235 366 G HA3 0.238 4.198 3.960 -0.000 0.000 0.235 366 G C 0.152 174.976 174.900 -0.128 0.000 1.266 366 G CA -0.372 44.633 45.100 -0.158 0.000 0.847 366 G HN 0.667 nan 8.290 nan 0.000 0.583 367 R N -0.692 119.750 120.500 -0.096 0.000 2.893 367 R HA 0.667 5.006 4.340 -0.000 0.000 0.223 367 R C 1.283 177.543 176.300 -0.066 0.000 1.433 367 R CA -0.116 55.937 56.100 -0.078 0.000 1.063 367 R CB 0.488 30.751 30.300 -0.062 0.000 1.758 367 R HN 0.416 nan 8.270 nan 0.000 0.524 368 S N -1.572 114.098 115.700 -0.050 0.000 2.501 368 S HA 0.159 4.629 4.470 -0.000 0.000 0.220 368 S C 1.187 175.737 174.600 -0.083 0.000 0.997 368 S CA 0.713 58.886 58.200 -0.045 0.000 0.919 368 S CB -0.858 62.345 63.200 0.005 0.000 0.778 368 S HN 0.981 nan 8.310 nan 0.000 0.523 369 G N 2.033 110.786 108.800 -0.079 0.000 2.687 369 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.303 369 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.303 369 G C 0.919 175.719 174.900 -0.166 0.000 1.209 369 G CA 0.502 45.540 45.100 -0.104 0.000 0.968 369 G HN 0.511 nan 8.290 nan 0.000 0.549 370 R N -0.459 119.863 120.500 -0.297 0.000 2.174 370 R HA -0.142 4.198 4.340 -0.000 0.000 0.253 370 R C 1.550 177.506 176.300 -0.575 0.000 1.165 370 R CA 2.579 58.359 56.100 -0.534 0.000 0.984 370 R CB -0.304 29.486 30.300 -0.849 0.000 0.873 370 R HN 0.655 nan 8.270 nan 0.000 0.456 371 Y N -1.980 118.297 120.300 -0.038 0.000 2.738 371 Y HA 0.401 4.951 4.550 -0.000 0.000 0.249 371 Y C 0.536 176.416 175.900 -0.034 0.000 1.153 371 Y CA -0.330 57.748 58.100 -0.037 0.000 1.165 371 Y CB 0.680 39.117 38.460 -0.037 0.000 1.235 371 Y HN -0.012 nan 8.280 nan 0.000 0.559 372 G N 0.599 109.430 108.800 0.051 0.000 2.437 372 G HA2 0.565 4.525 3.960 -0.000 0.000 0.319 372 G HA3 0.565 4.525 3.960 -0.000 0.000 0.319 372 G C -0.431 174.476 174.900 0.012 0.000 1.158 372 G CA -0.896 44.218 45.100 0.023 0.000 0.899 372 G HN 0.091 nan 8.290 nan 0.000 0.502 373 R N 0.741 121.242 120.500 0.003 0.000 2.357 373 R HA 0.221 4.561 4.340 -0.000 0.000 0.296 373 R C 0.417 176.709 176.300 -0.014 0.000 1.052 373 R CA -0.421 55.678 56.100 -0.002 0.000 0.988 373 R CB 1.342 31.641 30.300 -0.002 0.000 1.025 373 R HN 0.490 nan 8.270 nan 0.000 0.469 374 K N 0.560 120.952 120.400 -0.012 0.000 2.159 374 K HA 0.256 4.575 4.320 -0.000 0.000 0.242 374 K C 0.611 177.198 176.600 -0.022 0.000 1.043 374 K CA 0.160 56.436 56.287 -0.019 0.000 0.856 374 K CB 0.429 32.922 32.500 -0.013 0.000 1.072 374 K HN 0.790 nan 8.250 nan 0.000 0.514 375 G N -1.258 107.523 108.800 -0.030 0.000 2.364 375 G HA2 0.419 4.379 3.960 -0.000 0.000 0.286 375 G HA3 0.419 4.379 3.960 -0.000 0.000 0.286 375 G C -1.764 173.109 174.900 -0.044 0.000 1.241 375 G CA -0.723 44.359 45.100 -0.029 0.000 0.887 375 G HN 0.392 nan 8.290 nan 0.000 0.484 376 V N -0.562 119.330 119.914 -0.036 0.000 3.049 376 V HA 0.902 5.022 4.120 -0.000 0.000 0.309 376 V C -0.335 175.738 176.094 -0.034 0.000 1.148 376 V CA -0.216 62.054 62.300 -0.049 0.000 0.990 376 V CB 1.726 33.559 31.823 0.017 0.000 1.039 376 V HN 2.108 nan 8.190 nan 0.000 0.430 377 A N 3.233 126.024 122.820 -0.049 0.000 2.466 377 A HA 0.847 5.167 4.320 -0.000 0.000 0.284 377 A C -1.464 176.169 177.584 0.083 0.000 1.049 377 A CA -0.263 51.775 52.037 0.002 0.000 0.760 377 A CB 0.975 19.942 19.000 -0.054 0.000 1.274 377 A HN 0.661 nan 8.150 nan 0.000 0.412 378 I N 2.736 123.402 120.570 0.159 0.000 2.353 378 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 378 I C -0.201 176.068 176.117 0.254 0.000 0.992 378 I CA -0.099 61.370 61.300 0.282 0.000 1.268 378 I CB 1.473 39.664 38.000 0.317 0.000 1.387 378 I HN 0.586 nan 8.210 nan 0.000 0.478 379 N N 5.664 124.592 118.700 0.380 0.000 2.405 379 N HA 0.366 5.106 4.740 -0.000 0.000 0.299 379 N C -1.183 174.685 175.510 0.597 0.000 1.075 379 N CA -0.448 52.834 53.050 0.386 0.000 0.884 379 N CB 1.634 40.368 38.487 0.412 0.000 1.194 379 N HN 0.237 nan 8.380 nan 0.000 0.491 380 F N 1.694 121.772 119.950 0.212 0.000 2.329 380 F HA 0.176 4.703 4.527 -0.000 0.000 0.362 380 F C 0.423 176.294 175.800 0.118 0.000 1.113 380 F CA -1.340 56.753 58.000 0.156 0.000 1.212 380 F CB 0.080 39.122 39.000 0.069 0.000 1.509 380 F HN 0.049 nan 8.300 nan 0.000 0.546 381 V N 2.285 122.395 119.914 0.326 0.000 2.350 381 V HA 0.549 4.669 4.120 -0.000 0.000 0.276 381 V C -0.097 176.077 176.094 0.132 0.000 1.028 381 V CA -0.905 61.504 62.300 0.182 0.000 0.860 381 V CB 0.773 32.658 31.823 0.104 0.000 0.990 381 V HN 0.605 nan 8.190 nan 0.000 0.453 382 K N 3.443 123.892 120.400 0.082 0.000 2.098 382 K HA 0.509 4.829 4.320 -0.000 0.000 0.244 382 K C 0.539 177.157 176.600 0.031 0.000 1.014 382 K CA -0.699 55.621 56.287 0.055 0.000 0.917 382 K CB 0.468 32.983 32.500 0.026 0.000 1.072 382 K HN 0.404 nan 8.250 nan 0.000 0.477 383 N N 1.435 120.149 118.700 0.023 0.000 2.096 383 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 383 N C 0.763 176.268 175.510 -0.008 0.000 1.017 383 N CA 1.724 54.779 53.050 0.009 0.000 0.870 383 N CB -0.538 37.950 38.487 0.003 0.000 1.024 383 N HN 0.604 nan 8.380 nan 0.000 0.434 384 D N 0.351 120.744 120.400 -0.013 0.000 2.350 384 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 384 D C 0.210 176.499 176.300 -0.018 0.000 0.968 384 D CA 0.807 54.796 54.000 -0.019 0.000 0.894 384 D CB 0.009 40.795 40.800 -0.023 0.000 0.909 384 D HN 0.374 nan 8.370 nan 0.000 0.520 385 D N -0.036 120.356 120.400 -0.013 0.000 2.474 385 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 385 D C 1.962 178.238 176.300 -0.039 0.000 1.120 385 D CA -0.295 53.695 54.000 -0.017 0.000 0.836 385 D CB 0.384 41.187 40.800 0.005 0.000 1.019 385 D HN 0.124 nan 8.370 nan 0.000 0.507 386 I N 1.542 122.087 120.570 -0.043 0.000 2.399 386 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 386 I C 2.078 178.135 176.117 -0.101 0.000 1.146 386 I CA 1.477 62.724 61.300 -0.089 0.000 1.412 386 I CB -0.061 37.902 38.000 -0.061 0.000 1.076 386 I HN -0.150 nan 8.210 nan 0.000 0.432 387 R N 0.954 121.414 120.500 -0.067 0.000 2.056 387 R HA -0.046 4.294 4.340 -0.000 0.000 0.227 387 R C 2.330 178.586 176.300 -0.073 0.000 1.149 387 R CA 2.110 58.172 56.100 -0.064 0.000 0.937 387 R CB -0.491 29.781 30.300 -0.046 0.000 0.835 387 R HN 0.459 nan 8.270 nan 0.000 0.430 388 I N 1.582 122.114 120.570 -0.063 0.000 2.381 388 I HA -0.295 3.874 4.170 -0.000 0.000 0.255 388 I C 2.322 178.383 176.117 -0.092 0.000 1.140 388 I CA 0.773 62.033 61.300 -0.068 0.000 1.404 388 I CB -0.490 37.482 38.000 -0.047 0.000 1.075 388 I HN 0.298 nan 8.210 nan 0.000 0.433 389 L N 0.952 122.112 121.223 -0.106 0.000 2.017 389 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 389 L C 2.700 179.478 176.870 -0.154 0.000 1.073 389 L CA 1.779 56.529 54.840 -0.151 0.000 0.745 389 L CB -0.571 41.359 42.059 -0.216 0.000 0.894 389 L HN 0.051 nan 8.230 nan 0.000 0.432 390 R N 0.324 120.746 120.500 -0.131 0.000 2.083 390 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 390 R C 1.995 178.252 176.300 -0.071 0.000 1.137 390 R CA 1.636 57.678 56.100 -0.096 0.000 0.951 390 R CB -1.353 28.902 30.300 -0.076 0.000 0.851 390 R HN 0.504 nan 8.270 nan 0.000 0.434 391 D N 0.562 120.918 120.400 -0.073 0.000 2.149 391 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 391 D C 2.029 178.291 176.300 -0.063 0.000 0.990 391 D CA 1.012 54.975 54.000 -0.063 0.000 0.839 391 D CB -0.149 40.603 40.800 -0.081 0.000 0.948 391 D HN 0.271 nan 8.370 nan 0.000 0.460 392 I N 0.699 121.207 120.570 -0.104 0.000 2.286 392 I HA -0.186 3.983 4.170 -0.000 0.000 0.245 392 I C 2.498 178.630 176.117 0.024 0.000 1.104 392 I CA 0.812 62.054 61.300 -0.097 0.000 1.397 392 I CB -0.230 37.566 38.000 -0.339 0.000 1.072 392 I HN -0.058 nan 8.210 nan 0.000 0.417 393 E N 0.583 120.759 120.200 -0.041 0.000 2.085 393 E HA -0.251 4.098 4.350 -0.000 0.000 0.194 393 E C 2.271 178.903 176.600 0.054 0.000 0.994 393 E CA 1.185 57.594 56.400 0.015 0.000 0.801 393 E CB 0.165 29.854 29.700 -0.019 0.000 0.743 393 E HN 0.368 nan 8.360 nan 0.000 0.453 394 Q N -0.729 119.086 119.800 0.025 0.000 2.167 394 Q HA -0.169 4.170 4.340 -0.000 0.000 0.202 394 Q C 1.855 177.867 176.000 0.020 0.000 0.970 394 Q CA 1.019 56.833 55.803 0.019 0.000 0.855 394 Q CB -0.347 28.394 28.738 0.005 0.000 0.911 394 Q HN 0.439 nan 8.270 nan 0.000 0.438 395 Y N 0.250 120.453 120.300 -0.161 0.000 2.089 395 Y HA -0.257 4.292 4.550 -0.000 0.000 0.282 395 Y C 1.418 177.106 175.900 -0.354 0.000 1.139 395 Y CA 1.662 59.566 58.100 -0.326 0.000 1.123 395 Y CB -0.353 37.772 38.460 -0.558 0.000 0.980 395 Y HN 0.065 nan 8.280 nan 0.000 0.493 396 Y N -0.035 120.340 120.300 0.124 0.000 2.529 396 Y HA 0.169 4.719 4.550 -0.000 0.000 0.290 396 Y C 1.246 177.145 175.900 -0.003 0.000 1.177 396 Y CA 0.479 58.603 58.100 0.040 0.000 1.305 396 Y CB -0.378 38.161 38.460 0.130 0.000 1.047 396 Y HN -0.086 nan 8.280 nan 0.000 0.522 397 S N 0.678 116.424 115.700 0.077 0.000 3.550 397 S HA -0.208 4.262 4.470 -0.000 0.000 0.372 397 S C 0.332 174.982 174.600 0.083 0.000 0.966 397 S CA 1.147 59.375 58.200 0.047 0.000 1.229 397 S CB -1.190 62.012 63.200 0.004 0.000 0.917 397 S HN 0.623 nan 8.310 nan 0.000 0.496 398 T N -0.122 114.501 114.554 0.115 0.000 2.858 398 T HA 0.652 5.002 4.350 -0.000 0.000 0.285 398 T C -1.087 173.663 174.700 0.084 0.000 1.052 398 T CA -0.576 61.585 62.100 0.101 0.000 1.009 398 T CB 1.759 70.701 68.868 0.124 0.000 1.241 398 T HN 0.383 nan 8.240 nan 0.000 0.542 399 Q N 1.427 121.275 119.800 0.080 0.000 2.340 399 Q HA 0.634 4.974 4.340 -0.000 0.000 0.268 399 Q C -1.482 174.590 176.000 0.121 0.000 1.031 399 Q CA -0.634 55.226 55.803 0.094 0.000 0.804 399 Q CB 1.134 29.927 28.738 0.092 0.000 1.286 399 Q HN 0.630 nan 8.270 nan 0.000 0.448 400 I N 4.085 124.756 120.570 0.168 0.000 2.420 400 I HA 0.301 4.471 4.170 -0.000 0.000 0.282 400 I C -0.516 175.886 176.117 0.476 0.000 1.019 400 I CA -0.721 60.740 61.300 0.269 0.000 1.130 400 I CB 1.294 39.437 38.000 0.238 0.000 1.262 400 I HN 0.551 nan 8.210 nan 0.000 0.454 401 D N 5.187 125.871 120.400 0.474 0.000 2.423 401 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 401 D C -0.125 176.225 176.300 0.083 0.000 1.174 401 D CA -0.297 53.962 54.000 0.431 0.000 1.008 401 D CB 1.460 42.482 40.800 0.370 0.000 1.101 401 D HN 0.479 nan 8.370 nan 0.000 0.516 402 E N 0.318 120.292 120.200 -0.377 0.000 2.313 402 E HA 0.146 4.496 4.350 -0.000 0.000 0.272 402 E C -0.083 176.182 176.600 -0.557 0.000 1.038 402 E CA -0.525 55.316 56.400 -0.932 0.000 0.863 402 E CB 0.935 30.214 29.700 -0.701 0.000 1.060 402 E HN 0.263 nan 8.360 nan 0.000 0.402 403 M N 4.541 123.822 119.600 -0.531 0.000 2.284 403 M HA 0.064 4.544 4.480 -0.000 0.000 0.351 403 M C -2.051 173.988 176.300 -0.435 0.000 1.443 403 M CA -0.915 54.058 55.300 -0.545 0.000 1.031 403 M CB 0.093 32.526 32.600 -0.279 0.000 1.893 403 M HN 0.265 nan 8.290 nan 0.000 0.456 404 P HA 0.260 nan 4.420 nan 0.000 0.282 404 P C 0.579 177.756 177.300 -0.205 0.000 1.259 404 P CA -0.641 62.285 63.100 -0.291 0.000 0.826 404 P CB 0.650 32.182 31.700 -0.281 0.000 1.064 405 M N -1.002 118.517 119.600 -0.135 0.000 2.144 405 M HA -0.116 4.364 4.480 -0.000 0.000 0.260 405 M C 0.263 176.511 176.300 -0.086 0.000 1.067 405 M CA 1.421 56.663 55.300 -0.095 0.000 1.095 405 M CB -1.869 30.690 32.600 -0.069 0.000 1.365 405 M HN 0.313 nan 8.290 nan 0.000 0.406 406 N N 2.768 121.413 118.700 -0.091 0.000 2.309 406 N HA 0.009 4.749 4.740 -0.000 0.000 0.293 406 N C 1.282 176.757 175.510 -0.058 0.000 1.327 406 N CA 0.254 53.264 53.050 -0.066 0.000 1.054 406 N CB 0.495 38.946 38.487 -0.060 0.000 1.474 406 N HN 0.372 nan 8.380 nan 0.000 0.486 407 V N -0.549 119.346 119.914 -0.032 0.000 3.650 407 V HA 0.214 4.334 4.120 -0.000 0.000 0.271 407 V C 1.741 177.841 176.094 0.011 0.000 1.281 407 V CA 0.670 62.967 62.300 -0.005 0.000 1.120 407 V CB -0.122 31.701 31.823 -0.001 0.000 0.856 407 V HN 0.397 nan 8.190 nan 0.000 0.443 408 A N 0.140 122.961 122.820 0.002 0.000 2.255 408 A HA -0.006 4.314 4.320 -0.000 0.000 0.206 408 A C 1.531 179.126 177.584 0.019 0.000 1.193 408 A CA 1.216 53.256 52.037 0.006 0.000 0.794 408 A CB -0.598 18.402 19.000 -0.001 0.000 0.794 408 A HN 0.599 nan 8.150 nan 0.000 0.481 409 D N -0.937 119.483 120.400 0.034 0.000 2.349 409 D HA 0.072 4.711 4.640 -0.000 0.000 0.214 409 D C 1.062 177.405 176.300 0.072 0.000 1.063 409 D CA 0.111 54.147 54.000 0.060 0.000 0.847 409 D CB 0.379 41.234 40.800 0.093 0.000 0.933 409 D HN 0.481 nan 8.370 nan 0.000 0.513 410 L N 0.859 122.116 121.223 0.057 0.000 2.653 410 L HA 0.214 4.553 4.340 -0.000 0.000 0.232 410 L C 1.723 178.611 176.870 0.029 0.000 1.169 410 L CA 0.025 54.897 54.840 0.053 0.000 0.951 410 L CB -0.007 42.082 42.059 0.050 0.000 1.181 410 L HN -0.112 nan 8.230 nan 0.000 0.460 411 I N 0.280 120.864 120.570 0.025 0.000 2.226 411 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 411 I C 0.821 176.944 176.117 0.010 0.000 1.100 411 I CA 0.291 61.599 61.300 0.013 0.000 1.374 411 I CB -0.160 37.847 38.000 0.012 0.000 1.057 411 I HN 0.290 nan 8.210 nan 0.000 0.413 412 L N 1.939 123.171 121.223 0.015 0.000 2.706 412 L HA -0.037 4.303 4.340 -0.000 0.000 0.282 412 L C 0.554 177.426 176.870 0.004 0.000 1.219 412 L CA -0.285 54.561 54.840 0.010 0.000 0.935 412 L CB -1.180 40.887 42.059 0.013 0.000 1.204 412 L HN 0.268 nan 8.230 nan 0.000 0.491 413 E N 0.000 120.200 120.200 -0.001 0.000 2.725 413 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 413 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 413 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 413 E HN 0.000 nan 8.360 nan 0.000 0.440