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 1g3j_1_A DATA FIRST_RESID 134 DATA SEQUENCE HAVVNLINYQ DDAELATRAI PELTKLLNDE DQVVVNKAAV MVHQLSKKEA DATA SEQUENCE SRHAIMRSPQ MVSAIVRTMQ NTNDVETARC TAGTLHNLSH HREGLLAIFK DATA SEQUENCE SGGIPALVKM LGSPVDSVLF YAITTLHNLL LHQEGAKMAV RLAGGLQKMV DATA SEQUENCE ALLNKTNVKF LAITTDCLQI LAYGNQESKL IILASGGPQA LVNIMRTYTY DATA SEQUENCE EKLLWTTSRV LKVLSVCSSN KPAIVEAGGM QALGLHLTDP SQRLVQNCLW DATA SEQUENCE TLRNLSDAAT KQEGMEGLLG TLVQLLGSDD INVVTCAAGI LSNLTCNNYK DATA SEQUENCE NKMMVCQVGG IEALVRTVLR AGDREDITEP AICALRHLTS RHQEAEMAQN DATA SEQUENCE AVRLHYGLPV VVKLLHPPSH WPLIKATVGL IRNLALCPAN HAPLREQGAI DATA SEQUENCE PRLVQLLVRA HQDTQRRXXX XXXXXXFVEG VRMEEIVEGC TGALHILARD DATA SEQUENCE VHNRIVIRGL NTIPLFVQLL YSPIENIQRV AAGVLCELAQ DKEAAEAIEA DATA SEQUENCE EGATAPLTEL LHSRNEGVAT YAAAVLFRMS E 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 134 H HA 0.000 nan 4.556 nan 0.000 0.296 134 H C 0.000 175.326 175.328 -0.003 0.000 0.993 134 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 134 H CB 0.000 29.759 29.762 -0.005 0.000 1.292 135 A N 1.010 123.827 122.820 -0.005 0.000 1.968 135 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 135 A C 2.510 180.093 177.584 -0.001 0.000 1.169 135 A CA 2.167 54.200 52.037 -0.007 0.000 0.638 135 A CB -0.694 18.300 19.000 -0.010 0.000 0.812 135 A HN 0.718 nan 8.150 nan 0.000 0.446 136 V N 0.444 120.360 119.914 0.003 0.000 2.270 136 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 136 V C 2.746 178.848 176.094 0.015 0.000 1.043 136 V CA 2.054 64.359 62.300 0.008 0.000 1.014 136 V CB -1.277 30.549 31.823 0.006 0.000 0.645 136 V HN 0.566 nan 8.190 nan 0.000 0.447 137 V N -0.665 119.256 119.914 0.011 0.000 2.407 137 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 137 V C 1.894 178.003 176.094 0.025 0.000 1.055 137 V CA 2.570 64.879 62.300 0.014 0.000 1.049 137 V CB -1.456 30.371 31.823 0.006 0.000 0.662 137 V HN 0.597 nan 8.190 nan 0.000 0.455 138 N N 0.511 119.224 118.700 0.022 0.000 2.120 138 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 138 N C 1.776 177.325 175.510 0.066 0.000 1.024 138 N CA 1.439 54.509 53.050 0.033 0.000 0.852 138 N CB -0.239 38.253 38.487 0.007 0.000 1.003 138 N HN 0.472 nan 8.380 nan 0.000 0.424 139 L N 1.227 122.481 121.223 0.051 0.000 2.044 139 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 139 L C 1.829 178.772 176.870 0.122 0.000 1.075 139 L CA 1.346 56.237 54.840 0.084 0.000 0.747 139 L CB -0.476 41.609 42.059 0.044 0.000 0.903 139 L HN 0.138 nan 8.230 nan 0.000 0.435 140 I N 0.329 120.942 120.570 0.072 0.000 2.208 140 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 140 I C 2.177 178.327 176.117 0.055 0.000 1.097 140 I CA 1.203 62.536 61.300 0.054 0.000 1.363 140 I CB -1.544 36.474 38.000 0.030 0.000 1.051 140 I HN 0.412 nan 8.210 nan 0.000 0.413 141 N N 0.220 118.958 118.700 0.063 0.000 2.142 141 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 141 N C 1.936 177.492 175.510 0.076 0.000 1.023 141 N CA 1.060 54.142 53.050 0.053 0.000 0.852 141 N CB -0.612 37.903 38.487 0.046 0.000 0.998 141 N HN 0.436 nan 8.380 nan 0.000 0.424 142 Y N 1.925 122.228 120.300 0.004 0.000 2.165 142 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 142 Y C 2.359 178.264 175.900 0.007 0.000 1.155 142 Y CA 1.730 59.835 58.100 0.008 0.000 1.164 142 Y CB -0.053 38.410 38.460 0.006 0.000 0.978 142 Y HN 0.123 nan 8.280 nan 0.000 0.513 143 Q N -0.150 119.639 119.800 -0.018 0.000 2.046 143 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 143 Q C 1.789 177.724 176.000 -0.109 0.000 0.975 143 Q CA 1.571 57.318 55.803 -0.094 0.000 0.836 143 Q CB -0.163 28.588 28.738 0.021 0.000 0.896 143 Q HN 0.507 nan 8.270 nan 0.000 0.428 144 D N 0.690 121.058 120.400 -0.053 0.000 2.144 144 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 144 D C 1.375 177.636 176.300 -0.064 0.000 0.984 144 D CA 1.248 55.221 54.000 -0.045 0.000 0.834 144 D CB -0.278 40.510 40.800 -0.020 0.000 0.955 144 D HN 0.235 nan 8.370 nan 0.000 0.465 145 D N 0.139 120.489 120.400 -0.083 0.000 2.144 145 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 145 D C 1.921 178.149 176.300 -0.120 0.000 0.978 145 D CA 1.354 55.306 54.000 -0.079 0.000 0.833 145 D CB 0.054 40.818 40.800 -0.059 0.000 0.961 145 D HN 0.095 nan 8.370 nan 0.000 0.470 146 A N 0.159 122.855 122.820 -0.207 0.000 1.897 146 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 146 A C 2.287 179.804 177.584 -0.112 0.000 1.181 146 A CA 2.207 54.125 52.037 -0.198 0.000 0.620 146 A CB -1.288 17.535 19.000 -0.296 0.000 0.821 146 A HN 0.344 nan 8.150 nan 0.000 0.443 147 E N 0.126 120.271 120.200 -0.093 0.000 2.110 147 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 147 E C 1.935 178.510 176.600 -0.042 0.000 0.988 147 E CA 1.393 57.759 56.400 -0.056 0.000 0.804 147 E CB -0.820 28.853 29.700 -0.044 0.000 0.745 147 E HN 0.635 nan 8.360 nan 0.000 0.458 148 L N -0.355 120.843 121.223 -0.042 0.000 2.023 148 L HA 0.021 4.360 4.340 -0.000 0.000 0.205 148 L C 3.135 179.991 176.870 -0.024 0.000 1.073 148 L CA 1.115 55.940 54.840 -0.026 0.000 0.745 148 L CB -0.333 41.715 42.059 -0.019 0.000 0.900 148 L HN 0.419 nan 8.230 nan 0.000 0.435 149 A N -0.298 122.502 122.820 -0.032 0.000 2.070 149 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 149 A C 2.306 179.874 177.584 -0.027 0.000 1.159 149 A CA 2.108 54.129 52.037 -0.027 0.000 0.656 149 A CB -0.710 18.269 19.000 -0.034 0.000 0.800 149 A HN 0.562 nan 8.150 nan 0.000 0.453 150 T N -5.032 109.502 114.554 -0.033 0.000 3.034 150 T HA 0.359 4.709 4.350 -0.000 0.000 0.248 150 T C 1.820 176.508 174.700 -0.020 0.000 1.040 150 T CA 1.221 63.305 62.100 -0.027 0.000 1.107 150 T CB 0.091 68.939 68.868 -0.033 0.000 0.932 150 T HN 0.502 nan 8.240 nan 0.000 0.474 151 R N 1.040 121.528 120.500 -0.020 0.000 2.196 151 R HA 0.814 5.154 4.340 -0.000 0.000 0.186 151 R C 2.761 179.055 176.300 -0.011 0.000 1.163 151 R CA 1.000 57.092 56.100 -0.014 0.000 1.146 151 R CB -1.141 29.150 30.300 -0.015 0.000 1.113 151 R HN 0.441 nan 8.270 nan 0.000 0.513 152 A N 1.488 124.301 122.820 -0.011 0.000 1.859 152 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 152 A C 2.268 179.850 177.584 -0.004 0.000 1.198 152 A CA 1.874 53.907 52.037 -0.007 0.000 0.629 152 A CB -0.451 18.544 19.000 -0.008 0.000 0.830 152 A HN 0.428 nan 8.150 nan 0.000 0.446 153 I N 0.673 121.241 120.570 -0.004 0.000 2.127 153 I HA -0.158 4.012 4.170 -0.000 0.000 0.241 153 I C -0.299 175.817 176.117 -0.001 0.000 1.075 153 I CA 1.604 62.903 61.300 -0.000 0.000 1.334 153 I CB -2.502 35.498 38.000 0.000 0.000 1.040 153 I HN 0.279 nan 8.210 nan 0.000 0.405 154 P HA -0.173 nan 4.420 nan 0.000 0.220 154 P C 1.461 178.760 177.300 -0.003 0.000 1.148 154 P CA 1.490 64.588 63.100 -0.003 0.000 0.803 154 P CB 0.169 31.865 31.700 -0.006 0.000 0.782 155 E N 0.584 120.783 120.200 -0.003 0.000 2.046 155 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 155 E C 2.196 178.796 176.600 0.000 0.000 0.982 155 E CA 0.893 57.292 56.400 -0.002 0.000 0.800 155 E CB -1.214 28.485 29.700 -0.002 0.000 0.756 155 E HN 0.119 nan 8.360 nan 0.000 0.449 156 L N 0.202 121.426 121.223 0.002 0.000 2.131 156 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 156 L C 2.375 179.247 176.870 0.004 0.000 1.092 156 L CA 1.555 56.398 54.840 0.004 0.000 0.759 156 L CB -0.516 41.547 42.059 0.007 0.000 0.903 156 L HN 0.210 nan 8.230 nan 0.000 0.435 157 T N -0.379 114.177 114.554 0.003 0.000 2.746 157 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 157 T C 2.354 177.054 174.700 0.000 0.000 1.039 157 T CA 1.924 64.025 62.100 0.002 0.000 1.142 157 T CB -0.234 68.635 68.868 0.001 0.000 0.866 157 T HN 0.467 nan 8.240 nan 0.000 0.444 158 K N 1.238 121.638 120.400 -0.000 0.000 2.097 158 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 158 K C 2.222 178.822 176.600 -0.000 0.000 1.049 158 K CA 1.177 57.463 56.287 -0.001 0.000 0.933 158 K CB -1.255 31.244 32.500 -0.001 0.000 0.717 158 K HN 0.443 nan 8.250 nan 0.000 0.442 159 L N 0.041 121.264 121.223 0.001 0.000 2.156 159 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 159 L C 2.658 179.528 176.870 0.001 0.000 1.095 159 L CA 0.680 55.521 54.840 0.001 0.000 0.770 159 L CB -0.294 41.766 42.059 0.003 0.000 0.914 159 L HN 0.256 nan 8.230 nan 0.000 0.439 160 L N -0.204 121.020 121.223 0.002 0.000 2.201 160 L HA -0.158 4.181 4.340 -0.000 0.000 0.212 160 L C 1.453 178.322 176.870 -0.001 0.000 1.105 160 L CA 0.875 55.716 54.840 0.001 0.000 0.775 160 L CB -0.398 41.661 42.059 0.001 0.000 0.913 160 L HN 0.343 nan 8.230 nan 0.000 0.440 161 N N 0.022 118.722 118.700 -0.001 0.000 2.398 161 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 161 N C 0.333 175.842 175.510 -0.002 0.000 1.122 161 N CA 0.577 53.626 53.050 -0.002 0.000 0.866 161 N CB -0.395 38.090 38.487 -0.003 0.000 0.970 161 N HN 0.374 nan 8.380 nan 0.000 0.462 162 D N 0.249 120.648 120.400 -0.001 0.000 2.400 162 D HA 0.331 4.971 4.640 -0.000 0.000 0.238 162 D C 1.293 177.592 176.300 -0.002 0.000 1.157 162 D CA 0.547 54.546 54.000 -0.001 0.000 0.889 162 D CB 0.102 40.902 40.800 -0.001 0.000 1.199 162 D HN 0.375 nan 8.370 nan 0.000 0.436 163 E N -0.009 120.190 120.200 -0.002 0.000 2.112 163 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 163 E C 1.037 177.636 176.600 -0.002 0.000 0.979 163 E CA 0.897 57.296 56.400 -0.002 0.000 0.814 163 E CB -0.158 29.541 29.700 -0.002 0.000 0.762 163 E HN 0.689 nan 8.360 nan 0.000 0.460 164 D N 0.462 120.862 120.400 -0.002 0.000 2.346 164 D HA 0.004 4.644 4.640 -0.000 0.000 0.260 164 D C 0.878 177.177 176.300 -0.001 0.000 1.252 164 D CA -0.167 53.833 54.000 -0.001 0.000 0.895 164 D CB 1.109 41.908 40.800 -0.001 0.000 1.097 164 D HN 0.108 nan 8.370 nan 0.000 0.489 165 Q N 2.821 122.620 119.800 -0.002 0.000 2.226 165 Q HA -0.069 4.270 4.340 -0.000 0.000 0.204 165 Q C 1.931 177.930 176.000 -0.001 0.000 0.975 165 Q CA 0.691 56.493 55.803 -0.002 0.000 0.866 165 Q CB -0.042 28.694 28.738 -0.003 0.000 0.915 165 Q HN 0.460 nan 8.270 nan 0.000 0.440 166 V N 0.137 120.050 119.914 -0.001 0.000 2.667 166 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 166 V C 2.349 178.444 176.094 0.002 0.000 1.065 166 V CA 0.967 63.267 62.300 0.001 0.000 1.083 166 V CB -0.383 31.440 31.823 0.001 0.000 0.692 166 V HN 0.082 nan 8.190 nan 0.000 0.468 167 V N -0.121 119.794 119.914 0.002 0.000 2.323 167 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 167 V C 2.647 178.743 176.094 0.003 0.000 1.041 167 V CA 2.032 64.334 62.300 0.002 0.000 1.025 167 V CB -0.597 31.227 31.823 0.002 0.000 0.656 167 V HN 0.448 nan 8.190 nan 0.000 0.451 168 V N 0.887 120.801 119.914 0.002 0.000 2.287 168 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 168 V C 2.362 178.458 176.094 0.002 0.000 1.053 168 V CA 3.684 65.985 62.300 0.001 0.000 1.027 168 V CB -1.678 30.144 31.823 -0.001 0.000 0.646 168 V HN 0.605 nan 8.190 nan 0.000 0.447 169 N N 0.538 119.239 118.700 0.002 0.000 2.043 169 N HA -0.238 4.501 4.740 -0.000 0.000 0.193 169 N C 2.289 177.805 175.510 0.009 0.000 1.037 169 N CA 3.793 56.845 53.050 0.003 0.000 0.851 169 N CB -0.819 37.669 38.487 0.001 0.000 1.027 169 N HN 0.923 nan 8.380 nan 0.000 0.422 170 K N 0.203 120.609 120.400 0.010 0.000 2.147 170 K HA 0.430 4.750 4.320 -0.000 0.000 0.205 170 K C 2.649 179.259 176.600 0.017 0.000 1.049 170 K CA 1.651 57.946 56.287 0.014 0.000 0.936 170 K CB -1.156 31.350 32.500 0.011 0.000 0.722 170 K HN 0.887 nan 8.250 nan 0.000 0.446 171 A N 0.892 123.720 122.820 0.013 0.000 1.929 171 A HA 0.339 4.659 4.320 -0.000 0.000 0.216 171 A C 2.781 180.378 177.584 0.022 0.000 1.176 171 A CA 1.739 53.785 52.037 0.015 0.000 0.628 171 A CB -0.714 18.292 19.000 0.009 0.000 0.816 171 A HN 0.857 nan 8.150 nan 0.000 0.444 172 A N -0.459 122.372 122.820 0.019 0.000 1.972 172 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 172 A C 2.197 179.812 177.584 0.052 0.000 1.169 172 A CA 1.767 53.818 52.037 0.022 0.000 0.635 172 A CB -0.801 18.201 19.000 0.003 0.000 0.810 172 A HN 0.356 nan 8.150 nan 0.000 0.446 173 V N -0.184 119.762 119.914 0.053 0.000 2.307 173 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 173 V C 2.631 178.778 176.094 0.088 0.000 1.045 173 V CA 2.202 64.554 62.300 0.087 0.000 1.024 173 V CB -0.682 31.177 31.823 0.061 0.000 0.651 173 V HN 0.576 nan 8.190 nan 0.000 0.449 174 M N -0.561 119.070 119.600 0.051 0.000 2.108 174 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 174 M C 2.226 178.547 176.300 0.036 0.000 1.066 174 M CA 1.666 56.986 55.300 0.033 0.000 1.107 174 M CB -0.513 32.099 32.600 0.020 0.000 1.356 174 M HN 0.254 nan 8.290 nan 0.000 0.406 175 V N -0.556 119.386 119.914 0.047 0.000 2.343 175 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 175 V C 2.291 178.430 176.094 0.076 0.000 1.051 175 V CA 2.305 64.633 62.300 0.048 0.000 1.036 175 V CB -1.073 30.776 31.823 0.043 0.000 0.654 175 V HN 0.479 nan 8.190 nan 0.000 0.451 176 H N 0.240 119.304 119.070 -0.010 0.000 2.321 176 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 176 H C 2.351 177.678 175.328 -0.000 0.000 1.087 176 H CA 1.823 57.861 56.048 -0.016 0.000 1.319 176 H CB -0.120 29.630 29.762 -0.019 0.000 1.379 176 H HN 0.294 nan 8.280 nan 0.000 0.501 177 Q N 0.251 119.988 119.800 -0.104 0.000 2.096 177 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 177 Q C 2.734 178.670 176.000 -0.107 0.000 0.982 177 Q CA 1.319 57.033 55.803 -0.148 0.000 0.850 177 Q CB -0.381 28.326 28.738 -0.052 0.000 0.901 177 Q HN 0.519 nan 8.270 nan 0.000 0.422 178 L N 0.834 122.026 121.223 -0.052 0.000 2.093 178 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 178 L C 2.531 179.381 176.870 -0.033 0.000 1.085 178 L CA 1.412 56.234 54.840 -0.031 0.000 0.755 178 L CB -0.653 41.401 42.059 -0.008 0.000 0.904 178 L HN 0.246 nan 8.230 nan 0.000 0.435 179 S N -0.381 115.299 115.700 -0.033 0.000 2.442 179 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 179 S C 1.810 176.394 174.600 -0.028 0.000 1.007 179 S CA 0.795 58.988 58.200 -0.012 0.000 0.965 179 S CB -0.291 62.928 63.200 0.031 0.000 0.773 179 S HN 0.406 nan 8.310 nan 0.000 0.504 180 K N 1.340 121.688 120.400 -0.087 0.000 2.148 180 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 180 K C 1.091 177.677 176.600 -0.024 0.000 1.050 180 K CA 1.345 57.593 56.287 -0.065 0.000 0.942 180 K CB -0.417 32.014 32.500 -0.115 0.000 0.724 180 K HN 0.566 nan 8.250 nan 0.000 0.446 181 K N 2.263 122.646 120.400 -0.029 0.000 2.284 181 K HA 0.035 4.355 4.320 -0.000 0.000 0.287 181 K C 0.592 177.179 176.600 -0.022 0.000 1.081 181 K CA -0.129 56.145 56.287 -0.022 0.000 0.910 181 K CB 0.567 33.053 32.500 -0.024 0.000 1.088 181 K HN 0.248 nan 8.250 nan 0.000 0.478 182 E N 2.083 122.269 120.200 -0.023 0.000 2.097 182 E HA -0.241 4.108 4.350 -0.000 0.000 0.196 182 E C 2.002 178.546 176.600 -0.094 0.000 1.000 182 E CA 1.720 58.094 56.400 -0.042 0.000 0.804 182 E CB -0.012 29.662 29.700 -0.042 0.000 0.740 182 E HN 0.800 nan 8.360 nan 0.000 0.454 183 A N 0.085 122.858 122.820 -0.078 0.000 2.067 183 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 183 A C 2.185 179.731 177.584 -0.063 0.000 1.158 183 A CA 1.511 53.496 52.037 -0.087 0.000 0.661 183 A CB -0.135 18.837 19.000 -0.048 0.000 0.801 183 A HN 0.250 nan 8.150 nan 0.000 0.452 184 S N -0.769 114.907 115.700 -0.040 0.000 2.501 184 S HA 0.013 4.483 4.470 -0.000 0.000 0.220 184 S C 1.828 176.431 174.600 0.004 0.000 0.997 184 S CA 0.326 58.517 58.200 -0.014 0.000 0.919 184 S CB -0.106 63.087 63.200 -0.013 0.000 0.778 184 S HN 0.621 nan 8.310 nan 0.000 0.523 185 R N 1.068 121.563 120.500 -0.009 0.000 2.091 185 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 185 R C 1.995 178.361 176.300 0.110 0.000 1.136 185 R CA 1.599 57.718 56.100 0.030 0.000 0.959 185 R CB -0.480 29.832 30.300 0.019 0.000 0.856 185 R HN 0.586 nan 8.270 nan 0.000 0.437 186 H N -0.261 118.810 119.070 0.001 0.000 2.352 186 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 186 H C 2.197 177.523 175.328 -0.003 0.000 1.097 186 H CA 0.769 56.815 56.048 -0.003 0.000 1.311 186 H CB 0.020 29.777 29.762 -0.010 0.000 1.377 186 H HN 0.344 nan 8.280 nan 0.000 0.504 187 A N 0.910 123.804 122.820 0.123 0.000 1.940 187 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 187 A C 2.382 179.990 177.584 0.040 0.000 1.176 187 A CA 1.400 53.469 52.037 0.053 0.000 0.631 187 A CB -0.577 18.438 19.000 0.026 0.000 0.814 187 A HN 0.327 nan 8.150 nan 0.000 0.446 188 I N -0.143 120.456 120.570 0.048 0.000 2.233 188 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 188 I C 2.811 178.952 176.117 0.040 0.000 1.093 188 I CA 1.759 63.082 61.300 0.038 0.000 1.380 188 I CB -0.431 37.592 38.000 0.037 0.000 1.067 188 I HN 0.548 nan 8.210 nan 0.000 0.413 189 M N 0.232 119.867 119.600 0.058 0.000 2.319 189 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 189 M C 1.859 178.175 176.300 0.027 0.000 1.068 189 M CA 1.589 56.919 55.300 0.051 0.000 1.118 189 M CB -0.558 32.088 32.600 0.078 0.000 1.395 189 M HN -0.009 nan 8.290 nan 0.000 0.435 190 R N 0.930 121.439 120.500 0.015 0.000 2.328 190 R HA 0.156 4.496 4.340 -0.000 0.000 0.200 190 R C 0.296 176.594 176.300 -0.002 0.000 0.983 190 R CA 0.161 56.255 56.100 -0.010 0.000 1.062 190 R CB 0.003 30.283 30.300 -0.033 0.000 0.956 190 R HN 0.332 nan 8.270 nan 0.000 0.479 191 S N 1.182 116.886 115.700 0.007 0.000 2.577 191 S HA 0.251 4.721 4.470 -0.000 0.000 0.294 191 S C -1.695 172.908 174.600 0.006 0.000 1.161 191 S CA -1.978 56.225 58.200 0.004 0.000 1.143 191 S CB 1.034 64.237 63.200 0.005 0.000 0.991 191 S HN -0.038 nan 8.310 nan 0.000 0.475 192 P HA -0.169 nan 4.420 nan 0.000 0.216 192 P C 0.995 178.296 177.300 0.001 0.000 1.150 192 P CA 1.191 64.293 63.100 0.004 0.000 0.843 192 P CB 0.273 31.974 31.700 0.002 0.000 0.787 193 Q N -1.020 118.781 119.800 0.000 0.000 2.084 193 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 193 Q C 2.287 178.288 176.000 0.001 0.000 0.978 193 Q CA 1.509 57.312 55.803 -0.001 0.000 0.844 193 Q CB -1.071 27.666 28.738 -0.002 0.000 0.898 193 Q HN 0.183 nan 8.270 nan 0.000 0.426 194 M N -0.468 119.134 119.600 0.003 0.000 2.077 194 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 194 M C 1.766 178.070 176.300 0.007 0.000 1.070 194 M CA 1.449 56.752 55.300 0.006 0.000 1.125 194 M CB -0.564 32.041 32.600 0.009 0.000 1.339 194 M HN 0.040 nan 8.290 nan 0.000 0.409 195 V N -0.243 119.677 119.914 0.010 0.000 2.282 195 V HA -0.288 3.831 4.120 -0.000 0.000 0.249 195 V C 2.369 178.466 176.094 0.004 0.000 1.057 195 V CA 2.225 64.531 62.300 0.011 0.000 1.032 195 V CB -1.543 30.289 31.823 0.016 0.000 0.645 195 V HN 0.561 nan 8.190 nan 0.000 0.447 196 S N 0.069 115.768 115.700 -0.000 0.000 2.383 196 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 196 S C 2.174 176.771 174.600 -0.006 0.000 1.030 196 S CA 1.432 59.628 58.200 -0.007 0.000 1.002 196 S CB -0.484 62.710 63.200 -0.010 0.000 0.829 196 S HN 0.677 nan 8.310 nan 0.000 0.467 197 A N 1.197 124.015 122.820 -0.003 0.000 1.929 197 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 197 A C 2.029 179.612 177.584 -0.003 0.000 1.176 197 A CA 0.883 52.918 52.037 -0.003 0.000 0.628 197 A CB -0.556 18.444 19.000 -0.001 0.000 0.816 197 A HN 0.479 nan 8.150 nan 0.000 0.444 198 I N -0.521 120.049 120.570 -0.001 0.000 2.163 198 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 198 I C 2.374 178.488 176.117 -0.005 0.000 1.081 198 I CA 1.163 62.462 61.300 -0.002 0.000 1.353 198 I CB -0.412 37.590 38.000 0.002 0.000 1.054 198 I HN 0.147 nan 8.210 nan 0.000 0.407 199 V N 1.133 121.045 119.914 -0.003 0.000 2.255 199 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 199 V C 3.179 179.269 176.094 -0.006 0.000 1.051 199 V CA 2.728 65.026 62.300 -0.003 0.000 1.018 199 V CB -1.313 30.507 31.823 -0.005 0.000 0.641 199 V HN 0.526 nan 8.190 nan 0.000 0.445 200 R N -0.158 120.338 120.500 -0.008 0.000 2.091 200 R HA -0.235 4.105 4.340 -0.000 0.000 0.238 200 R C 2.241 178.536 176.300 -0.008 0.000 1.136 200 R CA 2.422 58.516 56.100 -0.009 0.000 0.959 200 R CB -1.978 28.316 30.300 -0.009 0.000 0.856 200 R HN 0.625 nan 8.270 nan 0.000 0.437 201 T N 0.478 115.028 114.554 -0.007 0.000 2.708 201 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 201 T C 2.069 176.763 174.700 -0.010 0.000 1.037 201 T CA 1.625 63.720 62.100 -0.008 0.000 1.146 201 T CB -0.292 68.571 68.868 -0.008 0.000 0.865 201 T HN 0.507 nan 8.240 nan 0.000 0.435 202 M N 0.907 120.501 119.600 -0.011 0.000 2.080 202 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 202 M C 2.501 178.797 176.300 -0.006 0.000 1.068 202 M CA 1.721 57.014 55.300 -0.011 0.000 1.109 202 M CB -0.236 32.358 32.600 -0.010 0.000 1.342 202 M HN 0.196 nan 8.290 nan 0.000 0.405 203 Q N -0.081 119.716 119.800 -0.004 0.000 2.291 203 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 203 Q C 0.755 176.753 176.000 -0.004 0.000 0.970 203 Q CA 1.652 57.453 55.803 -0.002 0.000 0.876 203 Q CB -0.013 28.724 28.738 -0.002 0.000 0.935 203 Q HN 0.726 nan 8.270 nan 0.000 0.455 204 N N -0.970 117.726 118.700 -0.006 0.000 2.294 204 N HA 0.012 4.752 4.740 -0.000 0.000 0.186 204 N C 0.102 175.608 175.510 -0.007 0.000 1.107 204 N CA -0.051 52.995 53.050 -0.006 0.000 0.884 204 N CB 0.648 39.131 38.487 -0.006 0.000 1.030 204 N HN -0.018 nan 8.380 nan 0.000 0.482 205 T N 0.165 114.714 114.554 -0.008 0.000 2.855 205 T HA 0.052 4.402 4.350 -0.000 0.000 0.314 205 T C 0.555 175.249 174.700 -0.010 0.000 1.077 205 T CA 0.536 62.630 62.100 -0.010 0.000 1.095 205 T CB 0.408 69.269 68.868 -0.012 0.000 0.987 205 T HN 0.096 nan 8.240 nan 0.000 0.546 206 N N 1.369 120.062 118.700 -0.010 0.000 2.170 206 N HA 0.209 4.949 4.740 -0.000 0.000 0.222 206 N C -1.261 174.241 175.510 -0.013 0.000 1.218 206 N CA -0.287 52.756 53.050 -0.011 0.000 0.889 206 N CB 0.590 39.072 38.487 -0.009 0.000 1.083 206 N HN 0.485 nan 8.380 nan 0.000 0.520 207 D N 0.570 120.962 120.400 -0.013 0.000 2.329 207 D HA 0.068 4.708 4.640 -0.000 0.000 0.232 207 D C 1.587 177.876 176.300 -0.018 0.000 1.088 207 D CA -0.486 53.505 54.000 -0.014 0.000 0.835 207 D CB 1.479 42.272 40.800 -0.011 0.000 1.078 207 D HN -0.040 nan 8.370 nan 0.000 0.495 208 V N 2.648 122.549 119.914 -0.022 0.000 2.282 208 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 208 V C 1.950 178.028 176.094 -0.026 0.000 1.057 208 V CA 1.763 64.047 62.300 -0.028 0.000 1.032 208 V CB -0.722 31.081 31.823 -0.034 0.000 0.645 208 V HN 0.449 nan 8.190 nan 0.000 0.447 209 E N 1.071 121.259 120.200 -0.020 0.000 2.153 209 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 209 E C 2.159 178.744 176.600 -0.026 0.000 0.988 209 E CA 2.085 58.475 56.400 -0.016 0.000 0.811 209 E CB -0.796 28.901 29.700 -0.005 0.000 0.746 209 E HN 0.742 nan 8.360 nan 0.000 0.466 210 T N -0.141 114.399 114.554 -0.023 0.000 2.812 210 T HA -0.046 4.304 4.350 -0.000 0.000 0.264 210 T C 1.803 176.479 174.700 -0.041 0.000 1.042 210 T CA 1.289 63.372 62.100 -0.028 0.000 1.140 210 T CB -0.403 68.454 68.868 -0.018 0.000 0.870 210 T HN 0.317 nan 8.240 nan 0.000 0.445 211 A N 1.701 124.502 122.820 -0.033 0.000 1.933 211 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 211 A C 2.293 179.855 177.584 -0.036 0.000 1.175 211 A CA 1.702 53.721 52.037 -0.029 0.000 0.628 211 A CB -0.555 18.433 19.000 -0.020 0.000 0.814 211 A HN 0.407 nan 8.150 nan 0.000 0.444 212 R N -0.704 119.775 120.500 -0.035 0.000 2.066 212 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 212 R C 2.205 178.397 176.300 -0.180 0.000 1.131 212 R CA 1.983 58.075 56.100 -0.012 0.000 0.955 212 R CB -0.682 29.623 30.300 0.008 0.000 0.851 212 R HN 0.553 nan 8.270 nan 0.000 0.432 213 C N 0.221 119.374 119.300 -0.244 0.000 2.432 213 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 213 C C 2.906 177.659 174.990 -0.395 0.000 1.249 213 C CA 1.511 60.243 59.018 -0.477 0.000 1.725 213 C CB -1.028 26.602 27.740 -0.183 0.000 2.028 213 C HN 0.731 nan 8.230 nan 0.000 0.477 214 T N 0.324 114.766 114.554 -0.188 0.000 2.821 214 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 214 T C 1.925 176.545 174.700 -0.134 0.000 1.046 214 T CA 1.579 63.610 62.100 -0.114 0.000 1.139 214 T CB -0.480 68.353 68.868 -0.057 0.000 0.871 214 T HN 0.521 nan 8.240 nan 0.000 0.454 215 A N 1.843 124.571 122.820 -0.154 0.000 1.898 215 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 215 A C 2.729 180.094 177.584 -0.365 0.000 1.181 215 A CA 1.445 53.408 52.037 -0.123 0.000 0.620 215 A CB -1.534 17.477 19.000 0.017 0.000 0.819 215 A HN 0.590 nan 8.150 nan 0.000 0.442 216 G N -1.063 107.261 108.800 -0.794 0.000 2.432 216 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.219 216 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.219 216 G C 1.536 176.241 174.900 -0.326 0.000 1.135 216 G CA 1.647 46.002 45.100 -1.243 0.000 0.767 216 G HN 0.429 nan 8.290 nan 0.000 0.550 217 T N 1.362 115.829 114.554 -0.145 0.000 2.737 217 T HA -0.009 4.341 4.350 -0.000 0.000 0.265 217 T C 2.422 177.119 174.700 -0.005 0.000 1.038 217 T CA 0.803 62.928 62.100 0.041 0.000 1.144 217 T CB -0.224 68.672 68.868 0.046 0.000 0.866 217 T HN 0.148 nan 8.240 nan 0.000 0.434 218 L N 0.354 121.560 121.223 -0.028 0.000 2.079 218 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 218 L C 2.649 179.519 176.870 -0.000 0.000 1.081 218 L CA 1.476 56.315 54.840 -0.002 0.000 0.752 218 L CB -0.717 41.351 42.059 0.015 0.000 0.896 218 L HN 0.483 nan 8.230 nan 0.000 0.433 219 H N 0.847 119.861 119.070 -0.093 0.000 2.321 219 H HA -0.156 4.399 4.556 -0.000 0.000 0.300 219 H C 1.820 177.046 175.328 -0.171 0.000 1.087 219 H CA 2.001 58.002 56.048 -0.078 0.000 1.319 219 H CB 0.069 29.841 29.762 0.017 0.000 1.379 219 H HN 0.453 nan 8.280 nan 0.000 0.501 220 N N 0.198 118.807 118.700 -0.152 0.000 2.364 220 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 220 N C 1.637 177.069 175.510 -0.130 0.000 1.022 220 N CA 0.612 53.593 53.050 -0.114 0.000 0.883 220 N CB 0.115 38.632 38.487 0.050 0.000 0.965 220 N HN 0.339 nan 8.380 nan 0.000 0.438 221 L N -0.065 121.089 121.223 -0.116 0.000 2.567 221 L HA 0.099 4.439 4.340 -0.000 0.000 0.225 221 L C 1.487 178.310 176.870 -0.078 0.000 1.119 221 L CA 0.141 54.958 54.840 -0.039 0.000 0.871 221 L CB 0.060 42.124 42.059 0.010 0.000 1.036 221 L HN 0.139 nan 8.230 nan 0.000 0.459 222 S N -2.891 112.658 115.700 -0.252 0.000 2.660 222 S HA 0.021 4.491 4.470 -0.000 0.000 0.227 222 S C 1.020 175.466 174.600 -0.256 0.000 0.948 222 S CA -0.238 57.839 58.200 -0.205 0.000 0.948 222 S CB -0.581 62.531 63.200 -0.147 0.000 0.779 222 S HN 0.482 nan 8.310 nan 0.000 0.487 223 H N -0.008 119.017 119.070 -0.076 0.000 2.551 223 H HA 0.315 4.871 4.556 -0.000 0.000 0.266 223 H C 0.058 175.031 175.328 -0.591 0.000 0.964 223 H CA 0.492 56.382 56.048 -0.262 0.000 1.180 223 H CB 0.242 29.854 29.762 -0.250 0.000 1.408 223 H HN 0.554 nan 8.280 nan 0.000 0.563 224 H N -3.114 115.998 119.070 0.070 0.000 2.977 224 H HA 0.427 4.983 4.556 -0.000 0.000 0.350 224 H C 1.328 176.663 175.328 0.012 0.000 1.238 224 H CA -0.065 55.998 56.048 0.026 0.000 1.124 224 H CB 0.994 30.789 29.762 0.056 0.000 1.866 224 H HN 0.024 nan 8.280 nan 0.000 0.550 225 R N 0.906 121.474 120.500 0.113 0.000 2.113 225 R HA -0.207 4.133 4.340 -0.000 0.000 0.244 225 R C 2.075 178.415 176.300 0.066 0.000 1.142 225 R CA 2.877 59.011 56.100 0.057 0.000 0.953 225 R CB -2.120 28.200 30.300 0.033 0.000 0.860 225 R HN 0.828 nan 8.270 nan 0.000 0.438 226 E N 0.013 120.263 120.200 0.084 0.000 2.038 226 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 226 E C 2.734 179.378 176.600 0.073 0.000 1.000 226 E CA 1.686 58.120 56.400 0.056 0.000 0.803 226 E CB -1.532 28.183 29.700 0.026 0.000 0.750 226 E HN 0.792 nan 8.360 nan 0.000 0.448 227 G N 0.364 109.228 108.800 0.107 0.000 2.421 227 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 227 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 227 G C 1.904 176.849 174.900 0.075 0.000 1.171 227 G CA 1.081 46.236 45.100 0.091 0.000 0.775 227 G HN 0.441 nan 8.290 nan 0.000 0.543 228 L N -0.318 120.947 121.223 0.071 0.000 2.043 228 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 228 L C 2.721 179.653 176.870 0.103 0.000 1.075 228 L CA 0.752 55.635 54.840 0.072 0.000 0.752 228 L CB -0.443 41.649 42.059 0.054 0.000 0.891 228 L HN 0.242 nan 8.230 nan 0.000 0.432 229 L N -0.030 121.245 121.223 0.087 0.000 2.093 229 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 229 L C 2.576 179.544 176.870 0.163 0.000 1.085 229 L CA 1.931 56.844 54.840 0.123 0.000 0.755 229 L CB -0.702 41.401 42.059 0.073 0.000 0.904 229 L HN 0.141 nan 8.230 nan 0.000 0.435 230 A N -0.166 122.718 122.820 0.106 0.000 1.873 230 A HA -0.157 4.162 4.320 -0.000 0.000 0.215 230 A C 2.246 179.883 177.584 0.088 0.000 1.186 230 A CA 2.001 54.087 52.037 0.082 0.000 0.616 230 A CB -0.822 18.213 19.000 0.058 0.000 0.823 230 A HN 0.492 nan 8.150 nan 0.000 0.442 231 I N -1.871 118.759 120.570 0.101 0.000 2.226 231 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 231 I C 2.389 178.579 176.117 0.122 0.000 1.100 231 I CA 1.633 62.989 61.300 0.093 0.000 1.374 231 I CB -0.390 37.666 38.000 0.092 0.000 1.057 231 I HN 0.464 nan 8.210 nan 0.000 0.413 232 F N 2.166 122.125 119.950 0.015 0.000 2.075 232 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 232 F C 2.480 178.286 175.800 0.011 0.000 1.113 232 F CA 1.595 59.603 58.000 0.014 0.000 1.218 232 F CB -0.048 38.961 39.000 0.015 0.000 0.984 232 F HN -0.192 nan 8.300 nan 0.000 0.472 233 K N -0.147 120.277 120.400 0.040 0.000 2.211 233 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 233 K C 2.133 178.676 176.600 -0.096 0.000 1.050 233 K CA 1.129 57.375 56.287 -0.069 0.000 0.945 233 K CB -0.853 31.677 32.500 0.049 0.000 0.732 233 K HN 0.237 nan 8.250 nan 0.000 0.451 234 S N -0.096 115.574 115.700 -0.050 0.000 2.650 234 S HA 0.082 4.552 4.470 -0.000 0.000 0.219 234 S C 0.905 175.464 174.600 -0.068 0.000 0.960 234 S CA 0.760 58.934 58.200 -0.043 0.000 0.925 234 S CB -0.394 62.801 63.200 -0.009 0.000 0.775 234 S HN 0.505 nan 8.310 nan 0.000 0.525 235 G N 0.155 108.878 108.800 -0.129 0.000 2.198 235 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 235 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 235 G C 0.788 175.647 174.900 -0.069 0.000 1.042 235 G CA 0.262 45.283 45.100 -0.131 0.000 0.791 235 G HN 0.742 nan 8.290 nan 0.000 0.502 236 G N -0.141 108.636 108.800 -0.038 0.000 2.443 236 G HA2 0.044 4.004 3.960 -0.000 0.000 0.219 236 G HA3 0.044 4.004 3.960 -0.000 0.000 0.219 236 G C 1.782 176.697 174.900 0.026 0.000 1.131 236 G CA 1.142 46.247 45.100 0.008 0.000 0.775 236 G HN 0.611 nan 8.290 nan 0.000 0.547 237 I N 1.429 122.016 120.570 0.029 0.000 2.099 237 I HA -0.139 4.031 4.170 -0.000 0.000 0.239 237 I C -0.138 175.999 176.117 0.033 0.000 1.066 237 I CA 1.287 62.621 61.300 0.055 0.000 1.324 237 I CB -0.949 37.105 38.000 0.090 0.000 1.037 237 I HN 0.129 nan 8.210 nan 0.000 0.401 238 P HA -0.147 nan 4.420 nan 0.000 0.218 238 P C 1.302 178.609 177.300 0.012 0.000 1.148 238 P CA 1.648 64.751 63.100 0.006 0.000 0.822 238 P CB 0.008 31.699 31.700 -0.014 0.000 0.784 239 A N -0.910 121.916 122.820 0.010 0.000 1.898 239 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 239 A C 2.129 179.731 177.584 0.029 0.000 1.183 239 A CA 1.084 53.129 52.037 0.014 0.000 0.622 239 A CB -1.497 17.507 19.000 0.007 0.000 0.824 239 A HN 0.096 nan 8.150 nan 0.000 0.444 240 L N -0.410 120.838 121.223 0.042 0.000 2.083 240 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 240 L C 2.482 179.392 176.870 0.066 0.000 1.083 240 L CA 0.910 55.788 54.840 0.063 0.000 0.752 240 L CB -0.447 41.660 42.059 0.079 0.000 0.899 240 L HN 0.239 nan 8.230 nan 0.000 0.433 241 V N -0.009 119.939 119.914 0.056 0.000 2.358 241 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 241 V C 2.533 178.655 176.094 0.047 0.000 1.047 241 V CA 1.872 64.205 62.300 0.054 0.000 1.035 241 V CB -0.534 31.316 31.823 0.044 0.000 0.658 241 V HN 0.446 nan 8.190 nan 0.000 0.452 242 K N -0.354 120.067 120.400 0.035 0.000 2.103 242 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 242 K C 2.092 178.710 176.600 0.030 0.000 1.048 242 K CA 1.517 57.820 56.287 0.027 0.000 0.930 242 K CB -0.119 32.392 32.500 0.017 0.000 0.716 242 K HN 0.240 nan 8.250 nan 0.000 0.444 243 M N 0.824 120.446 119.600 0.037 0.000 2.460 243 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 243 M C 1.739 178.068 176.300 0.048 0.000 1.071 243 M CA 1.074 56.396 55.300 0.038 0.000 1.096 243 M CB -0.594 32.035 32.600 0.049 0.000 1.408 243 M HN 0.205 nan 8.290 nan 0.000 0.463 244 L N -0.771 120.492 121.223 0.067 0.000 2.456 244 L HA -0.074 4.266 4.340 -0.000 0.000 0.224 244 L C 2.032 178.942 176.870 0.066 0.000 1.148 244 L CA 0.593 55.488 54.840 0.092 0.000 0.825 244 L CB -0.837 41.285 42.059 0.105 0.000 0.937 244 L HN 0.361 nan 8.230 nan 0.000 0.450 245 G N -1.358 107.465 108.800 0.038 0.000 3.042 245 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.212 245 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.212 245 G C 0.632 175.533 174.900 0.001 0.000 1.166 245 G CA -0.064 45.050 45.100 0.023 0.000 0.767 245 G HN 0.211 nan 8.290 nan 0.000 0.546 246 S N 1.055 116.749 115.700 -0.009 0.000 2.580 246 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 246 S C -0.800 173.758 174.600 -0.070 0.000 1.329 246 S CA -1.071 57.106 58.200 -0.039 0.000 1.036 246 S CB 1.692 64.864 63.200 -0.047 0.000 0.919 246 S HN 0.099 nan 8.310 nan 0.000 0.515 247 P HA 0.151 nan 4.420 nan 0.000 0.257 247 P C -0.349 176.862 177.300 -0.148 0.000 1.241 247 P CA 0.096 63.138 63.100 -0.097 0.000 0.816 247 P CB 0.080 31.740 31.700 -0.068 0.000 1.150 248 V N 2.209 122.025 119.914 -0.164 0.000 2.432 248 V HA 0.086 4.206 4.120 -0.000 0.000 0.275 248 V C 1.469 177.341 176.094 -0.371 0.000 1.043 248 V CA 0.036 62.205 62.300 -0.218 0.000 0.925 248 V CB 0.926 32.654 31.823 -0.159 0.000 0.985 248 V HN -0.102 nan 8.190 nan 0.000 0.466 249 D N 2.796 122.882 120.400 -0.524 0.000 2.123 249 D HA -0.156 4.484 4.640 -0.000 0.000 0.196 249 D C 2.288 177.837 176.300 -1.252 0.000 0.992 249 D CA 1.925 55.293 54.000 -1.053 0.000 0.833 249 D CB -0.059 40.114 40.800 -1.045 0.000 0.954 249 D HN 0.740 nan 8.370 nan 0.000 0.455 250 S N 0.208 115.488 115.700 -0.700 0.000 2.370 250 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 250 S C 2.270 176.664 174.600 -0.343 0.000 1.033 250 S CA 1.341 59.241 58.200 -0.500 0.000 1.011 250 S CB -0.795 62.255 63.200 -0.249 0.000 0.852 250 S HN 0.115 nan 8.310 nan 0.000 0.457 251 V N 2.213 122.004 119.914 -0.205 0.000 2.307 251 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 251 V C 2.612 178.693 176.094 -0.023 0.000 1.045 251 V CA 1.702 63.984 62.300 -0.029 0.000 1.024 251 V CB -0.928 30.869 31.823 -0.044 0.000 0.651 251 V HN 0.435 nan 8.190 nan 0.000 0.449 252 L N -0.954 120.174 121.223 -0.159 0.000 2.042 252 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 252 L C 2.470 179.481 176.870 0.236 0.000 1.076 252 L CA 1.926 56.749 54.840 -0.027 0.000 0.749 252 L CB -0.613 41.290 42.059 -0.260 0.000 0.893 252 L HN 0.282 nan 8.230 nan 0.000 0.432 253 F N -1.615 118.277 119.950 -0.097 0.000 2.134 253 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 253 F C 2.410 178.166 175.800 -0.074 0.000 1.097 253 F CA 0.786 58.742 58.000 -0.073 0.000 1.264 253 F CB -0.423 38.427 39.000 -0.250 0.000 1.001 253 F HN 0.025 nan 8.300 nan 0.000 0.479 254 Y N 0.152 120.520 120.300 0.114 0.000 2.200 254 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 254 Y C 2.618 178.553 175.900 0.058 0.000 1.137 254 Y CA 0.477 58.566 58.100 -0.019 0.000 1.163 254 Y CB -0.430 38.020 38.460 -0.017 0.000 0.988 254 Y HN 0.011 nan 8.280 nan 0.000 0.518 255 A N 0.008 122.984 122.820 0.261 0.000 1.877 255 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 255 A C 2.092 179.798 177.584 0.202 0.000 1.186 255 A CA 1.813 53.972 52.037 0.202 0.000 0.620 255 A CB -0.895 18.204 19.000 0.164 0.000 0.822 255 A HN 0.443 nan 8.150 nan 0.000 0.443 256 I N 0.425 121.140 120.570 0.241 0.000 2.315 256 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 256 I C 2.701 178.917 176.117 0.166 0.000 1.117 256 I CA 2.311 63.725 61.300 0.190 0.000 1.404 256 I CB -0.372 37.743 38.000 0.192 0.000 1.071 256 I HN 0.522 nan 8.210 nan 0.000 0.419 257 T N -3.582 111.076 114.554 0.174 0.000 2.821 257 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 257 T C 1.844 176.720 174.700 0.294 0.000 1.046 257 T CA 1.783 64.001 62.100 0.198 0.000 1.139 257 T CB -1.060 67.892 68.868 0.141 0.000 0.871 257 T HN 0.267 nan 8.240 nan 0.000 0.454 258 T N 2.261 116.991 114.554 0.294 0.000 2.777 258 T HA 0.183 4.533 4.350 -0.000 0.000 0.266 258 T C 1.897 176.702 174.700 0.175 0.000 1.040 258 T CA 0.961 63.216 62.100 0.258 0.000 1.141 258 T CB -0.459 68.546 68.868 0.229 0.000 0.868 258 T HN 0.263 nan 8.240 nan 0.000 0.444 259 L N 0.043 121.364 121.223 0.163 0.000 2.131 259 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 259 L C 2.548 179.480 176.870 0.103 0.000 1.092 259 L CA 1.336 56.248 54.840 0.120 0.000 0.759 259 L CB -0.460 41.666 42.059 0.111 0.000 0.903 259 L HN 0.337 nan 8.230 nan 0.000 0.435 260 H N 0.243 119.340 119.070 0.044 0.000 2.357 260 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 260 H C 2.173 177.497 175.328 -0.007 0.000 1.082 260 H CA 1.771 57.824 56.048 0.007 0.000 1.342 260 H CB 0.162 29.933 29.762 0.015 0.000 1.389 260 H HN 0.207 nan 8.280 nan 0.000 0.511 261 N N 0.248 119.001 118.700 0.088 0.000 2.069 261 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 261 N C 2.114 177.609 175.510 -0.024 0.000 1.031 261 N CA 1.325 54.410 53.050 0.057 0.000 0.852 261 N CB -0.434 38.134 38.487 0.135 0.000 1.018 261 N HN 0.365 nan 8.380 nan 0.000 0.423 262 L N 0.637 121.861 121.223 0.003 0.000 2.046 262 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 262 L C 2.244 179.055 176.870 -0.098 0.000 1.077 262 L CA 0.795 55.628 54.840 -0.012 0.000 0.747 262 L CB -0.426 41.662 42.059 0.048 0.000 0.896 262 L HN 0.126 nan 8.230 nan 0.000 0.432 263 L N -0.737 120.404 121.223 -0.136 0.000 2.131 263 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 263 L C 2.393 179.086 176.870 -0.295 0.000 1.092 263 L CA 1.062 55.790 54.840 -0.186 0.000 0.759 263 L CB -0.308 41.645 42.059 -0.176 0.000 0.903 263 L HN 0.307 nan 8.230 nan 0.000 0.435 264 L N -1.489 119.459 121.223 -0.459 0.000 2.131 264 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 264 L C 2.150 178.598 176.870 -0.703 0.000 1.087 264 L CA 0.768 55.208 54.840 -0.667 0.000 0.767 264 L CB -0.270 41.209 42.059 -0.967 0.000 0.917 264 L HN 0.413 nan 8.230 nan 0.000 0.441 265 H N -2.726 116.279 119.070 -0.108 0.000 3.205 265 H HA 0.158 4.714 4.556 -0.000 0.000 0.252 265 H C 0.310 175.571 175.328 -0.111 0.000 1.015 265 H CA -0.159 55.835 56.048 -0.089 0.000 1.192 265 H CB 0.578 30.302 29.762 -0.064 0.000 1.474 265 H HN 0.105 nan 8.280 nan 0.000 0.484 266 Q N 2.550 122.315 119.800 -0.058 0.000 2.337 266 Q HA 0.311 4.651 4.340 -0.000 0.000 0.255 266 Q C -0.221 175.621 176.000 -0.264 0.000 0.997 266 Q CA -0.078 55.616 55.803 -0.181 0.000 0.925 266 Q CB 0.451 29.054 28.738 -0.226 0.000 1.212 266 Q HN 0.461 nan 8.270 nan 0.000 0.436 267 E N 2.223 122.268 120.200 -0.258 0.000 2.415 267 E HA 0.419 4.769 4.350 -0.000 0.000 0.263 267 E C 1.074 177.467 176.600 -0.345 0.000 0.995 267 E CA 0.172 56.439 56.400 -0.223 0.000 0.915 267 E CB -0.016 29.594 29.700 -0.150 0.000 0.951 267 E HN 1.253 nan 8.360 nan 0.000 0.449 268 G N 0.654 109.340 108.800 -0.190 0.000 2.195 268 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.246 268 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.246 268 G C 1.466 176.371 174.900 0.009 0.000 0.984 268 G CA 1.162 46.212 45.100 -0.084 0.000 0.633 268 G HN 1.805 nan 8.290 nan 0.000 0.525 269 A N 0.383 123.141 122.820 -0.103 0.000 1.898 269 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 269 A C 2.184 179.802 177.584 0.057 0.000 1.181 269 A CA 2.241 54.298 52.037 0.033 0.000 0.620 269 A CB -0.424 18.549 19.000 -0.045 0.000 0.819 269 A HN 0.499 nan 8.150 nan 0.000 0.442 270 K N -1.502 118.903 120.400 0.007 0.000 2.044 270 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 270 K C 2.070 178.691 176.600 0.036 0.000 1.049 270 K CA 1.839 58.133 56.287 0.012 0.000 0.927 270 K CB -0.299 32.197 32.500 -0.006 0.000 0.713 270 K HN 0.424 nan 8.250 nan 0.000 0.443 271 M N 0.880 120.509 119.600 0.048 0.000 2.117 271 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 271 M C 1.998 178.338 176.300 0.067 0.000 1.065 271 M CA 1.538 56.870 55.300 0.053 0.000 1.114 271 M CB -0.346 32.288 32.600 0.057 0.000 1.361 271 M HN 0.171 nan 8.290 nan 0.000 0.408 272 A N -1.196 121.689 122.820 0.108 0.000 1.902 272 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 272 A C 2.181 179.807 177.584 0.069 0.000 1.181 272 A CA 1.905 54.003 52.037 0.102 0.000 0.623 272 A CB -1.175 17.932 19.000 0.178 0.000 0.818 272 A HN 0.350 nan 8.150 nan 0.000 0.443 273 V N 0.051 120.008 119.914 0.072 0.000 2.343 273 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 273 V C 2.653 178.770 176.094 0.038 0.000 1.051 273 V CA 2.229 64.561 62.300 0.053 0.000 1.036 273 V CB -0.821 31.031 31.823 0.047 0.000 0.654 273 V HN 0.528 nan 8.190 nan 0.000 0.451 274 R N -0.117 120.403 120.500 0.033 0.000 2.070 274 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 274 R C 2.478 178.791 176.300 0.022 0.000 1.137 274 R CA 1.856 57.971 56.100 0.024 0.000 0.945 274 R CB -0.964 29.348 30.300 0.021 0.000 0.845 274 R HN 0.493 nan 8.270 nan 0.000 0.430 275 L N 0.563 121.801 121.223 0.025 0.000 2.079 275 L HA 0.051 4.391 4.340 -0.000 0.000 0.210 275 L C 2.498 179.377 176.870 0.016 0.000 1.081 275 L CA 2.384 57.235 54.840 0.019 0.000 0.752 275 L CB -1.794 40.277 42.059 0.019 0.000 0.896 275 L HN 0.418 nan 8.230 nan 0.000 0.433 276 A N -1.119 121.713 122.820 0.020 0.000 2.235 276 A HA 0.398 4.718 4.320 -0.000 0.000 0.208 276 A C 2.088 179.684 177.584 0.019 0.000 1.172 276 A CA 1.114 53.162 52.037 0.017 0.000 0.786 276 A CB -0.904 18.109 19.000 0.022 0.000 0.804 276 A HN 2.277 nan 8.150 nan 0.000 0.479 277 G N -1.814 106.998 108.800 0.020 0.000 2.182 277 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.248 277 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.248 277 G C 1.041 175.956 174.900 0.025 0.000 1.042 277 G CA 0.500 45.612 45.100 0.020 0.000 0.775 277 G HN 1.188 nan 8.290 nan 0.000 0.501 278 G N -0.219 108.598 108.800 0.028 0.000 2.421 278 G HA2 0.079 4.039 3.960 -0.000 0.000 0.217 278 G HA3 0.079 4.039 3.960 -0.000 0.000 0.217 278 G C 1.822 176.739 174.900 0.029 0.000 1.143 278 G CA 1.138 46.258 45.100 0.034 0.000 0.784 278 G HN 0.602 nan 8.290 nan 0.000 0.541 279 L N -0.198 121.038 121.223 0.022 0.000 2.012 279 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 279 L C 3.185 180.066 176.870 0.018 0.000 1.073 279 L CA 1.460 56.310 54.840 0.016 0.000 0.748 279 L CB -0.438 41.628 42.059 0.011 0.000 0.891 279 L HN 0.194 nan 8.230 nan 0.000 0.431 280 Q N -0.009 119.803 119.800 0.020 0.000 2.084 280 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 280 Q C 2.192 178.210 176.000 0.030 0.000 0.978 280 Q CA 1.534 57.350 55.803 0.022 0.000 0.844 280 Q CB -0.135 28.615 28.738 0.020 0.000 0.898 280 Q HN 0.362 nan 8.270 nan 0.000 0.426 281 K N -0.158 120.263 120.400 0.035 0.000 2.057 281 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 281 K C 2.111 178.746 176.600 0.059 0.000 1.049 281 K CA 1.314 57.630 56.287 0.048 0.000 0.931 281 K CB -0.144 32.388 32.500 0.052 0.000 0.714 281 K HN 0.248 nan 8.250 nan 0.000 0.440 282 M N 0.455 120.082 119.600 0.045 0.000 2.086 282 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 282 M C 2.248 178.564 176.300 0.027 0.000 1.067 282 M CA 1.329 56.647 55.300 0.031 0.000 1.116 282 M CB -0.212 32.390 32.600 0.004 0.000 1.348 282 M HN -0.078 nan 8.290 nan 0.000 0.407 283 V N 0.342 120.271 119.914 0.024 0.000 2.407 283 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 283 V C 2.547 178.667 176.094 0.043 0.000 1.055 283 V CA 1.960 64.275 62.300 0.025 0.000 1.049 283 V CB -1.178 30.657 31.823 0.020 0.000 0.662 283 V HN 0.538 nan 8.190 nan 0.000 0.455 284 A N -0.617 122.233 122.820 0.049 0.000 2.070 284 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 284 A C 2.075 179.710 177.584 0.085 0.000 1.159 284 A CA 1.358 53.430 52.037 0.058 0.000 0.656 284 A CB -0.443 18.588 19.000 0.051 0.000 0.800 284 A HN 0.543 nan 8.150 nan 0.000 0.453 285 L N -0.516 120.774 121.223 0.112 0.000 2.591 285 L HA 0.098 4.438 4.340 -0.000 0.000 0.228 285 L C 1.516 178.505 176.870 0.198 0.000 1.133 285 L CA -0.022 54.935 54.840 0.194 0.000 0.880 285 L CB -0.133 42.109 42.059 0.305 0.000 1.033 285 L HN 0.344 nan 8.230 nan 0.000 0.450 286 L N 0.212 121.503 121.223 0.113 0.000 2.633 286 L HA -0.123 4.217 4.340 -0.000 0.000 0.235 286 L C 1.751 178.699 176.870 0.131 0.000 1.163 286 L CA 0.925 55.824 54.840 0.098 0.000 0.859 286 L CB -0.631 41.464 42.059 0.060 0.000 0.973 286 L HN 0.573 nan 8.230 nan 0.000 0.451 287 N N -1.618 117.161 118.700 0.132 0.000 2.336 287 N HA -0.013 4.726 4.740 -0.000 0.000 0.189 287 N C 0.596 176.193 175.510 0.145 0.000 1.113 287 N CA -0.318 52.809 53.050 0.127 0.000 0.858 287 N CB 0.332 38.873 38.487 0.090 0.000 0.970 287 N HN 0.045 nan 8.380 nan 0.000 0.471 288 K N 0.959 121.465 120.400 0.176 0.000 2.230 288 K HA 0.031 4.351 4.320 -0.000 0.000 0.253 288 K C 1.202 177.904 176.600 0.169 0.000 1.008 288 K CA 0.395 56.783 56.287 0.169 0.000 0.910 288 K CB 1.118 33.770 32.500 0.253 0.000 0.994 288 K HN 0.251 nan 8.250 nan 0.000 0.495 289 T N -3.258 111.373 114.554 0.127 0.000 3.001 289 T HA -0.004 4.346 4.350 -0.000 0.000 0.251 289 T C 0.683 175.381 174.700 -0.004 0.000 1.040 289 T CA -0.240 61.930 62.100 0.116 0.000 0.985 289 T CB 0.054 69.010 68.868 0.146 0.000 1.011 289 T HN 0.411 nan 8.240 nan 0.000 0.509 290 N N 2.800 121.516 118.700 0.026 0.000 2.438 290 N HA 0.026 4.766 4.740 -0.000 0.000 0.267 290 N C 1.659 177.086 175.510 -0.137 0.000 1.222 290 N CA 0.270 53.294 53.050 -0.043 0.000 0.930 290 N CB 1.706 40.195 38.487 0.004 0.000 1.083 290 N HN 0.283 nan 8.380 nan 0.000 0.476 291 V N 2.904 122.641 119.914 -0.294 0.000 2.490 291 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 291 V C 1.996 177.950 176.094 -0.233 0.000 1.061 291 V CA 1.260 63.338 62.300 -0.370 0.000 1.064 291 V CB -0.415 31.138 31.823 -0.449 0.000 0.670 291 V HN 0.541 nan 8.190 nan 0.000 0.461 292 K N -0.332 119.896 120.400 -0.287 0.000 2.103 292 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 292 K C 2.022 178.531 176.600 -0.153 0.000 1.052 292 K CA 1.642 57.823 56.287 -0.175 0.000 0.945 292 K CB -0.354 32.004 32.500 -0.237 0.000 0.722 292 K HN 0.556 nan 8.250 nan 0.000 0.443 293 F N 2.134 121.879 119.950 -0.341 0.000 2.134 293 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 293 F C 1.748 177.458 175.800 -0.150 0.000 1.097 293 F CA 1.221 59.042 58.000 -0.298 0.000 1.264 293 F CB -0.234 38.602 39.000 -0.274 0.000 1.001 293 F HN -0.126 nan 8.300 nan 0.000 0.479 294 L N -0.046 121.046 121.223 -0.220 0.000 2.083 294 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 294 L C 2.799 179.526 176.870 -0.239 0.000 1.083 294 L CA 1.064 55.745 54.840 -0.265 0.000 0.752 294 L CB -1.240 40.718 42.059 -0.168 0.000 0.899 294 L HN 0.271 nan 8.230 nan 0.000 0.433 295 A N 0.359 123.087 122.820 -0.153 0.000 1.902 295 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 295 A C 2.136 179.605 177.584 -0.191 0.000 1.181 295 A CA 1.391 53.369 52.037 -0.098 0.000 0.623 295 A CB -0.402 18.623 19.000 0.043 0.000 0.818 295 A HN 0.269 nan 8.150 nan 0.000 0.443 296 I N -0.038 120.368 120.570 -0.274 0.000 2.286 296 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 296 I C 2.494 178.423 176.117 -0.312 0.000 1.104 296 I CA 1.858 62.942 61.300 -0.360 0.000 1.397 296 I CB -2.096 35.691 38.000 -0.355 0.000 1.072 296 I HN 0.226 nan 8.210 nan 0.000 0.417 297 T N 1.162 115.464 114.554 -0.421 0.000 2.684 297 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 297 T C 1.951 176.530 174.700 -0.202 0.000 1.036 297 T CA 2.427 64.306 62.100 -0.367 0.000 1.148 297 T CB -0.589 67.929 68.868 -0.584 0.000 0.863 297 T HN 0.557 nan 8.240 nan 0.000 0.436 298 T N 0.515 114.954 114.554 -0.192 0.000 2.746 298 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 298 T C 1.723 176.353 174.700 -0.118 0.000 1.039 298 T CA 1.661 63.683 62.100 -0.130 0.000 1.142 298 T CB -0.644 68.152 68.868 -0.119 0.000 0.866 298 T HN 0.279 nan 8.240 nan 0.000 0.444 299 D N 0.297 120.620 120.400 -0.129 0.000 2.178 299 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 299 D C 2.032 178.336 176.300 0.006 0.000 0.980 299 D CA 0.832 54.783 54.000 -0.081 0.000 0.842 299 D CB -0.536 40.235 40.800 -0.049 0.000 0.948 299 D HN 0.501 nan 8.370 nan 0.000 0.472 300 C N -0.257 119.062 119.300 0.033 0.000 2.425 300 C HA -0.027 4.433 4.460 -0.000 0.000 0.277 300 C C 2.733 177.720 174.990 -0.006 0.000 1.280 300 C CA 0.152 59.199 59.018 0.047 0.000 1.744 300 C CB -1.096 26.674 27.740 0.049 0.000 1.989 300 C HN 0.429 nan 8.230 nan 0.000 0.491 301 L N 0.440 121.647 121.223 -0.027 0.000 2.046 301 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 301 L C 2.944 179.801 176.870 -0.022 0.000 1.077 301 L CA 1.412 56.236 54.840 -0.025 0.000 0.747 301 L CB -0.820 41.218 42.059 -0.034 0.000 0.896 301 L HN 0.392 nan 8.230 nan 0.000 0.432 302 Q N 0.846 120.622 119.800 -0.040 0.000 2.084 302 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 302 Q C 2.209 178.204 176.000 -0.008 0.000 0.978 302 Q CA 1.828 57.609 55.803 -0.037 0.000 0.844 302 Q CB -0.152 28.526 28.738 -0.100 0.000 0.898 302 Q HN 0.554 nan 8.270 nan 0.000 0.426 303 I N 0.454 121.004 120.570 -0.034 0.000 2.252 303 I HA -0.291 3.878 4.170 -0.000 0.000 0.245 303 I C 2.298 178.413 176.117 -0.003 0.000 1.102 303 I CA 0.800 62.074 61.300 -0.044 0.000 1.385 303 I CB -0.202 37.746 38.000 -0.088 0.000 1.064 303 I HN 0.141 nan 8.210 nan 0.000 0.414 304 L N 0.188 121.411 121.223 -0.001 0.000 2.179 304 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 304 L C 2.647 179.530 176.870 0.022 0.000 1.096 304 L CA 0.965 55.810 54.840 0.009 0.000 0.779 304 L CB -0.499 41.563 42.059 0.004 0.000 0.922 304 L HN 0.196 nan 8.230 nan 0.000 0.443 305 A N -1.114 121.722 122.820 0.026 0.000 1.984 305 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 305 A C 0.897 178.498 177.584 0.027 0.000 1.173 305 A CA -0.068 51.980 52.037 0.017 0.000 0.673 305 A CB -0.476 18.526 19.000 0.004 0.000 0.830 305 A HN 0.297 nan 8.150 nan 0.000 0.453 306 Y N 1.365 121.634 120.300 -0.052 0.000 2.865 306 Y HA 0.231 4.781 4.550 -0.000 0.000 0.338 306 Y C 1.464 177.335 175.900 -0.047 0.000 1.269 306 Y CA 0.770 58.837 58.100 -0.055 0.000 1.585 306 Y CB 0.008 38.430 38.460 -0.064 0.000 1.224 306 Y HN 0.550 nan 8.280 nan 0.000 0.554 307 G N 4.197 112.615 108.800 -0.638 0.000 2.200 307 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.267 307 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.267 307 G C -0.048 174.750 174.900 -0.170 0.000 0.993 307 G CA 0.568 45.409 45.100 -0.432 0.000 0.701 307 G HN 0.820 nan 8.290 nan 0.000 0.524 308 N N -0.404 118.228 118.700 -0.114 0.000 2.706 308 N HA 0.568 5.308 4.740 -0.000 0.000 0.240 308 N C 1.389 176.864 175.510 -0.059 0.000 1.039 308 N CA 1.053 54.067 53.050 -0.059 0.000 0.888 308 N CB 0.642 39.116 38.487 -0.022 0.000 1.128 308 N HN 0.380 nan 8.380 nan 0.000 0.512 309 Q N 1.565 121.328 119.800 -0.063 0.000 2.112 309 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 309 Q C 1.430 177.410 176.000 -0.034 0.000 0.987 309 Q CA 2.058 57.829 55.803 -0.052 0.000 0.858 309 Q CB -0.837 27.871 28.738 -0.049 0.000 0.905 309 Q HN 0.832 nan 8.270 nan 0.000 0.420 310 E N 0.155 120.339 120.200 -0.027 0.000 2.110 310 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 310 E C 2.421 179.013 176.600 -0.013 0.000 0.988 310 E CA 1.243 57.633 56.400 -0.017 0.000 0.804 310 E CB -0.011 29.681 29.700 -0.012 0.000 0.745 310 E HN 0.601 nan 8.360 nan 0.000 0.458 311 S N 0.641 116.333 115.700 -0.014 0.000 2.402 311 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 311 S C 1.675 176.268 174.600 -0.011 0.000 1.021 311 S CA 0.903 59.098 58.200 -0.009 0.000 0.974 311 S CB -0.009 63.188 63.200 -0.006 0.000 0.800 311 S HN 0.198 nan 8.310 nan 0.000 0.484 312 K N 1.067 121.456 120.400 -0.019 0.000 2.097 312 K HA 0.055 4.374 4.320 -0.000 0.000 0.205 312 K C 1.902 178.494 176.600 -0.014 0.000 1.050 312 K CA 0.874 57.149 56.287 -0.020 0.000 0.938 312 K CB -0.309 32.172 32.500 -0.032 0.000 0.718 312 K HN 0.303 nan 8.250 nan 0.000 0.442 313 L N 0.836 122.051 121.223 -0.014 0.000 2.093 313 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 313 L C 2.363 179.230 176.870 -0.004 0.000 1.085 313 L CA 0.973 55.808 54.840 -0.009 0.000 0.755 313 L CB -0.378 41.675 42.059 -0.010 0.000 0.904 313 L HN 0.163 nan 8.230 nan 0.000 0.435 314 I N -0.067 120.501 120.570 -0.003 0.000 2.226 314 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 314 I C 2.444 178.562 176.117 0.003 0.000 1.100 314 I CA 1.483 62.784 61.300 0.001 0.000 1.374 314 I CB -0.133 37.869 38.000 0.002 0.000 1.057 314 I HN 0.182 nan 8.210 nan 0.000 0.413 315 I N 0.150 120.720 120.570 0.001 0.000 2.179 315 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 315 I C 2.535 178.654 176.117 0.003 0.000 1.088 315 I CA 1.180 62.481 61.300 0.002 0.000 1.357 315 I CB -0.277 37.722 38.000 -0.002 0.000 1.051 315 I HN 0.248 nan 8.210 nan 0.000 0.409 316 L N 1.408 122.631 121.223 0.001 0.000 2.012 316 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 316 L C 2.549 179.422 176.870 0.004 0.000 1.073 316 L CA 2.242 57.084 54.840 0.002 0.000 0.748 316 L CB -0.841 41.218 42.059 -0.001 0.000 0.891 316 L HN 0.186 nan 8.230 nan 0.000 0.431 317 A N -1.768 121.054 122.820 0.004 0.000 2.024 317 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 317 A C 2.286 179.875 177.584 0.008 0.000 1.164 317 A CA 1.833 53.873 52.037 0.005 0.000 0.643 317 A CB -0.735 18.267 19.000 0.004 0.000 0.806 317 A HN 0.530 nan 8.150 nan 0.000 0.451 318 S N -1.759 113.946 115.700 0.010 0.000 2.593 318 S HA 0.365 4.835 4.470 -0.000 0.000 0.217 318 S C 1.261 175.871 174.600 0.016 0.000 0.966 318 S CA 0.735 58.943 58.200 0.013 0.000 0.914 318 S CB 0.047 63.256 63.200 0.015 0.000 0.776 318 S HN 1.601 nan 8.310 nan 0.000 0.523 319 G N 0.948 109.756 108.800 0.014 0.000 2.132 319 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.228 319 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.228 319 G C 0.830 175.741 174.900 0.018 0.000 1.000 319 G CA 0.226 45.335 45.100 0.016 0.000 0.693 319 G HN 0.575 nan 8.290 nan 0.000 0.515 320 G N 0.796 109.605 108.800 0.015 0.000 2.446 320 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.217 320 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.217 320 G C 0.162 175.072 174.900 0.016 0.000 1.168 320 G CA 1.807 46.915 45.100 0.014 0.000 0.771 320 G HN 0.537 nan 8.290 nan 0.000 0.551 321 P HA -0.182 nan 4.420 nan 0.000 0.214 321 P C 1.878 179.191 177.300 0.021 0.000 1.169 321 P CA 1.845 64.954 63.100 0.016 0.000 0.908 321 P CB -0.013 31.694 31.700 0.013 0.000 0.791 322 Q N -0.353 119.459 119.800 0.021 0.000 2.050 322 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 322 Q C 2.082 178.102 176.000 0.033 0.000 0.980 322 Q CA 2.210 58.028 55.803 0.025 0.000 0.840 322 Q CB -1.392 27.359 28.738 0.021 0.000 0.898 322 Q HN 0.110 nan 8.270 nan 0.000 0.424 323 A N -0.196 122.645 122.820 0.036 0.000 1.972 323 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 323 A C 2.067 179.684 177.584 0.056 0.000 1.169 323 A CA 1.440 53.507 52.037 0.048 0.000 0.635 323 A CB -0.649 18.378 19.000 0.046 0.000 0.810 323 A HN 0.445 nan 8.150 nan 0.000 0.446 324 L N -0.964 120.285 121.223 0.042 0.000 2.131 324 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 324 L C 2.441 179.342 176.870 0.052 0.000 1.087 324 L CA 0.645 55.509 54.840 0.041 0.000 0.767 324 L CB -0.449 41.624 42.059 0.022 0.000 0.917 324 L HN 0.210 nan 8.230 nan 0.000 0.441 325 V N 0.221 120.163 119.914 0.046 0.000 2.427 325 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 325 V C 2.211 178.338 176.094 0.056 0.000 1.051 325 V CA 1.610 63.939 62.300 0.050 0.000 1.048 325 V CB -0.671 31.174 31.823 0.037 0.000 0.666 325 V HN 0.466 nan 8.190 nan 0.000 0.456 326 N N 0.401 119.132 118.700 0.052 0.000 2.069 326 N HA -0.117 4.623 4.740 -0.000 0.000 0.191 326 N C 1.742 177.287 175.510 0.058 0.000 1.031 326 N CA 1.609 54.685 53.050 0.043 0.000 0.852 326 N CB -0.404 38.110 38.487 0.045 0.000 1.018 326 N HN 0.428 nan 8.380 nan 0.000 0.423 327 I N 0.652 121.297 120.570 0.123 0.000 2.208 327 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 327 I C 1.920 178.148 176.117 0.185 0.000 1.097 327 I CA 0.906 62.347 61.300 0.236 0.000 1.363 327 I CB -0.177 37.967 38.000 0.241 0.000 1.051 327 I HN 0.097 nan 8.210 nan 0.000 0.413 328 M N 0.535 120.212 119.600 0.129 0.000 2.279 328 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 328 M C 1.948 178.395 176.300 0.245 0.000 1.062 328 M CA 1.612 56.999 55.300 0.146 0.000 1.099 328 M CB -1.050 31.628 32.600 0.130 0.000 1.394 328 M HN 0.397 nan 8.290 nan 0.000 0.426 329 R N -1.820 118.756 120.500 0.127 0.000 2.468 329 R HA 0.257 4.596 4.340 -0.000 0.000 0.280 329 R C 0.830 177.126 176.300 -0.007 0.000 0.963 329 R CA 0.255 56.402 56.100 0.078 0.000 1.083 329 R CB -0.148 30.171 30.300 0.033 0.000 1.200 329 R HN 0.050 nan 8.270 nan 0.000 0.541 330 T N -0.645 113.866 114.554 -0.071 0.000 3.138 330 T HA 0.188 4.538 4.350 -0.000 0.000 0.245 330 T C -0.431 174.037 174.700 -0.386 0.000 0.982 330 T CA 0.392 62.305 62.100 -0.311 0.000 1.134 330 T CB -0.027 68.501 68.868 -0.566 0.000 1.032 330 T HN 0.049 nan 8.240 nan 0.000 0.442 331 Y N 1.782 122.138 120.300 0.092 0.000 2.376 331 Y HA 0.412 4.962 4.550 -0.000 0.000 0.325 331 Y C 1.741 177.714 175.900 0.120 0.000 1.199 331 Y CA -0.782 57.378 58.100 0.100 0.000 1.206 331 Y CB 0.826 39.348 38.460 0.102 0.000 1.229 331 Y HN 0.066 nan 8.280 nan 0.000 0.480 332 T N -2.907 111.827 114.554 0.301 0.000 3.023 332 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 332 T C -0.021 174.813 174.700 0.225 0.000 1.038 332 T CA -0.087 62.146 62.100 0.222 0.000 0.962 332 T CB -0.477 68.493 68.868 0.171 0.000 1.018 332 T HN 0.410 nan 8.240 nan 0.000 0.521 333 Y N 3.795 124.161 120.300 0.110 0.000 2.754 333 Y HA 0.177 4.727 4.550 -0.000 0.000 0.349 333 Y C 1.613 177.537 175.900 0.040 0.000 1.179 333 Y CA -1.354 56.778 58.100 0.053 0.000 1.538 333 Y CB 0.296 38.765 38.460 0.016 0.000 1.200 333 Y HN 0.138 nan 8.280 nan 0.000 0.522 334 E N 4.772 124.852 120.200 -0.199 0.000 2.097 334 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 334 E C 1.318 177.753 176.600 -0.276 0.000 1.000 334 E CA 1.856 58.127 56.400 -0.214 0.000 0.804 334 E CB 0.212 29.807 29.700 -0.175 0.000 0.740 334 E HN 0.812 nan 8.360 nan 0.000 0.454 335 K N 0.054 120.077 120.400 -0.628 0.000 2.147 335 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 335 K C 2.222 178.757 176.600 -0.108 0.000 1.049 335 K CA 0.987 57.069 56.287 -0.341 0.000 0.936 335 K CB -0.168 32.033 32.500 -0.499 0.000 0.722 335 K HN 0.099 nan 8.250 nan 0.000 0.446 336 L N 1.150 122.269 121.223 -0.174 0.000 2.095 336 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 336 L C 1.799 178.672 176.870 0.005 0.000 1.080 336 L CA 1.388 56.240 54.840 0.021 0.000 0.759 336 L CB -0.331 41.823 42.059 0.158 0.000 0.914 336 L HN 0.069 nan 8.230 nan 0.000 0.439 337 L N -1.804 119.415 121.223 -0.007 0.000 2.083 337 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 337 L C 2.405 179.279 176.870 0.007 0.000 1.083 337 L CA 1.612 56.420 54.840 -0.052 0.000 0.752 337 L CB -0.819 41.133 42.059 -0.178 0.000 0.899 337 L HN 0.519 nan 8.230 nan 0.000 0.433 338 W N 1.430 122.650 121.300 -0.134 0.000 2.354 338 W HA -0.232 4.428 4.660 -0.000 0.000 0.315 338 W C 2.858 179.344 176.519 -0.055 0.000 1.206 338 W CA 2.301 59.591 57.345 -0.092 0.000 1.290 338 W CB -0.693 28.704 29.460 -0.105 0.000 1.152 338 W HN 0.257 nan 8.180 nan 0.000 0.489 339 T N -2.716 111.671 114.554 -0.278 0.000 2.788 339 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 339 T C 1.684 176.214 174.700 -0.283 0.000 1.044 339 T CA 2.132 63.953 62.100 -0.465 0.000 1.139 339 T CB -1.148 67.557 68.868 -0.271 0.000 0.867 339 T HN 0.117 nan 8.240 nan 0.000 0.454 340 T N 2.552 117.015 114.554 -0.150 0.000 2.821 340 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 340 T C 2.469 177.122 174.700 -0.078 0.000 1.046 340 T CA 1.645 63.693 62.100 -0.088 0.000 1.139 340 T CB -0.596 68.255 68.868 -0.028 0.000 0.871 340 T HN 0.754 nan 8.240 nan 0.000 0.454 341 S N 1.797 117.450 115.700 -0.080 0.000 2.423 341 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 341 S C 2.022 176.595 174.600 -0.046 0.000 1.014 341 S CA 0.513 58.695 58.200 -0.030 0.000 0.965 341 S CB -0.332 62.879 63.200 0.018 0.000 0.785 341 S HN 0.433 nan 8.310 nan 0.000 0.495 342 R N 0.554 120.958 120.500 -0.159 0.000 2.090 342 R HA 0.075 4.415 4.340 -0.000 0.000 0.228 342 R C 2.251 178.499 176.300 -0.086 0.000 1.110 342 R CA 1.259 57.265 56.100 -0.157 0.000 0.973 342 R CB -0.672 29.414 30.300 -0.357 0.000 0.869 342 R HN 0.386 nan 8.270 nan 0.000 0.440 343 V N 1.655 121.514 119.914 -0.092 0.000 2.358 343 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 343 V C 2.357 178.439 176.094 -0.020 0.000 1.047 343 V CA 1.517 63.787 62.300 -0.051 0.000 1.035 343 V CB -0.422 31.369 31.823 -0.053 0.000 0.658 343 V HN 0.250 nan 8.190 nan 0.000 0.452 344 L N -0.156 121.060 121.223 -0.012 0.000 2.083 344 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 344 L C 2.651 179.535 176.870 0.023 0.000 1.083 344 L CA 1.687 56.533 54.840 0.010 0.000 0.752 344 L CB -0.601 41.471 42.059 0.022 0.000 0.899 344 L HN 0.309 nan 8.230 nan 0.000 0.433 345 K N 0.237 120.658 120.400 0.034 0.000 2.026 345 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 345 K C 2.030 178.643 176.600 0.021 0.000 1.048 345 K CA 1.554 57.873 56.287 0.054 0.000 0.929 345 K CB -0.055 32.498 32.500 0.089 0.000 0.713 345 K HN 0.106 nan 8.250 nan 0.000 0.439 346 V N 1.875 121.797 119.914 0.013 0.000 2.332 346 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 346 V C 2.281 178.355 176.094 -0.033 0.000 1.055 346 V CA 1.547 63.842 62.300 -0.009 0.000 1.038 346 V CB -0.288 31.549 31.823 0.024 0.000 0.651 346 V HN 0.322 nan 8.190 nan 0.000 0.450 347 L N 0.565 121.778 121.223 -0.016 0.000 2.313 347 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 347 L C 2.541 179.404 176.870 -0.012 0.000 1.119 347 L CA 1.251 56.081 54.840 -0.017 0.000 0.809 347 L CB -0.570 41.484 42.059 -0.008 0.000 0.933 347 L HN 0.530 nan 8.230 nan 0.000 0.449 348 S N -0.147 115.552 115.700 -0.002 0.000 2.474 348 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 348 S C 1.661 176.259 174.600 -0.004 0.000 0.997 348 S CA 0.868 59.072 58.200 0.007 0.000 0.949 348 S CB -0.532 62.685 63.200 0.028 0.000 0.766 348 S HN 0.348 nan 8.310 nan 0.000 0.517 349 V N -1.324 118.576 119.914 -0.024 0.000 3.608 349 V HA 0.341 4.461 4.120 -0.000 0.000 0.269 349 V C 1.122 177.192 176.094 -0.039 0.000 1.245 349 V CA -0.365 61.913 62.300 -0.036 0.000 1.138 349 V CB -1.470 30.316 31.823 -0.063 0.000 0.841 349 V HN 0.647 nan 8.190 nan 0.000 0.451 350 C N 2.714 121.993 119.300 -0.034 0.000 2.499 350 C HA 0.531 4.990 4.460 -0.000 0.000 0.386 350 C C 2.390 177.368 174.990 -0.020 0.000 1.293 350 C CA 0.405 59.404 59.018 -0.032 0.000 1.884 350 C CB 0.393 28.115 27.740 -0.031 0.000 2.509 350 C HN 0.747 nan 8.230 nan 0.000 0.566 351 S N 3.722 119.410 115.700 -0.019 0.000 2.474 351 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 351 S C 1.465 176.060 174.600 -0.009 0.000 0.997 351 S CA 1.550 59.742 58.200 -0.012 0.000 0.949 351 S CB -0.138 63.054 63.200 -0.013 0.000 0.766 351 S HN 0.829 nan 8.310 nan 0.000 0.517 352 S N 1.877 117.571 115.700 -0.010 0.000 2.412 352 S HA 0.154 4.624 4.470 -0.000 0.000 0.223 352 S C 1.832 176.430 174.600 -0.005 0.000 1.048 352 S CA 0.119 58.315 58.200 -0.007 0.000 0.954 352 S CB -0.380 62.816 63.200 -0.008 0.000 0.840 352 S HN 0.574 nan 8.310 nan 0.000 0.503 353 N N 1.641 120.337 118.700 -0.006 0.000 2.188 353 N HA -0.082 4.658 4.740 -0.000 0.000 0.184 353 N C 1.752 177.262 175.510 0.001 0.000 1.018 353 N CA 0.752 53.800 53.050 -0.003 0.000 0.858 353 N CB -0.137 38.347 38.487 -0.006 0.000 0.989 353 N HN 0.363 nan 8.380 nan 0.000 0.426 354 K N 1.400 121.800 120.400 -0.000 0.000 2.001 354 K HA -0.137 4.183 4.320 -0.000 0.000 0.214 354 K C -0.879 175.725 176.600 0.006 0.000 1.050 354 K CA 1.536 57.825 56.287 0.004 0.000 0.934 354 K CB -0.791 31.712 32.500 0.004 0.000 0.718 354 K HN 0.139 nan 8.250 nan 0.000 0.443 355 P HA -0.099 nan 4.420 nan 0.000 0.221 355 P C 0.939 178.242 177.300 0.005 0.000 1.150 355 P CA 1.546 64.649 63.100 0.005 0.000 0.800 355 P CB 0.006 31.707 31.700 0.003 0.000 0.787 356 A N 0.396 123.219 122.820 0.005 0.000 1.898 356 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 356 A C 2.249 179.838 177.584 0.009 0.000 1.181 356 A CA 1.194 53.235 52.037 0.006 0.000 0.620 356 A CB -1.220 17.783 19.000 0.006 0.000 0.819 356 A HN 0.014 nan 8.150 nan 0.000 0.442 357 I N -0.086 120.490 120.570 0.011 0.000 2.179 357 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 357 I C 2.532 178.658 176.117 0.015 0.000 1.088 357 I CA 1.118 62.427 61.300 0.015 0.000 1.357 357 I CB -1.422 36.588 38.000 0.017 0.000 1.051 357 I HN 0.127 nan 8.210 nan 0.000 0.409 358 V N 1.420 121.342 119.914 0.013 0.000 2.255 358 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 358 V C 3.088 179.186 176.094 0.007 0.000 1.051 358 V CA 2.550 64.856 62.300 0.010 0.000 1.018 358 V CB -1.368 30.459 31.823 0.008 0.000 0.641 358 V HN 0.584 nan 8.190 nan 0.000 0.445 359 E N -0.216 119.987 120.200 0.006 0.000 2.209 359 E HA -0.141 4.208 4.350 -0.000 0.000 0.196 359 E C 1.998 178.602 176.600 0.006 0.000 0.993 359 E CA 1.495 57.897 56.400 0.004 0.000 0.819 359 E CB -0.720 28.983 29.700 0.004 0.000 0.745 359 E HN 0.741 nan 8.360 nan 0.000 0.477 360 A N -0.995 121.831 122.820 0.009 0.000 2.238 360 A HA 0.475 4.794 4.320 -0.000 0.000 0.208 360 A C 2.150 179.742 177.584 0.012 0.000 1.177 360 A CA 1.210 53.254 52.037 0.012 0.000 0.804 360 A CB -0.357 18.653 19.000 0.016 0.000 0.823 360 A HN 1.571 nan 8.150 nan 0.000 0.482 361 G N -2.072 106.734 108.800 0.011 0.000 2.140 361 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 361 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 361 G C 1.127 176.037 174.900 0.017 0.000 1.013 361 G CA 0.492 45.598 45.100 0.010 0.000 0.705 361 G HN 1.162 nan 8.290 nan 0.000 0.508 362 G N 0.180 108.993 108.800 0.021 0.000 2.440 362 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 362 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 362 G C 1.904 176.823 174.900 0.033 0.000 1.154 362 G CA 1.713 46.831 45.100 0.030 0.000 0.767 362 G HN 0.446 nan 8.290 nan 0.000 0.552 363 M N 0.179 119.792 119.600 0.023 0.000 2.065 363 M HA -0.100 4.379 4.480 -0.000 0.000 0.259 363 M C 2.694 179.003 176.300 0.015 0.000 1.069 363 M CA 1.454 56.766 55.300 0.020 0.000 1.110 363 M CB -1.292 31.315 32.600 0.011 0.000 1.328 363 M HN 0.215 nan 8.290 nan 0.000 0.405 364 Q N 0.345 120.149 119.800 0.007 0.000 2.084 364 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 364 Q C 2.271 178.270 176.000 -0.001 0.000 0.978 364 Q CA 2.081 57.882 55.803 -0.004 0.000 0.844 364 Q CB -0.737 27.995 28.738 -0.009 0.000 0.898 364 Q HN 0.604 nan 8.270 nan 0.000 0.426 365 A N 0.372 123.204 122.820 0.021 0.000 1.877 365 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 365 A C 2.044 179.686 177.584 0.097 0.000 1.186 365 A CA 1.254 53.321 52.037 0.049 0.000 0.620 365 A CB -0.716 18.324 19.000 0.067 0.000 0.822 365 A HN 0.344 nan 8.150 nan 0.000 0.443 366 L N -0.648 120.633 121.223 0.096 0.000 2.201 366 L HA -0.060 4.280 4.340 -0.000 0.000 0.212 366 L C 2.686 179.611 176.870 0.092 0.000 1.105 366 L CA 0.789 55.708 54.840 0.132 0.000 0.775 366 L CB -0.532 41.581 42.059 0.090 0.000 0.913 366 L HN 0.484 nan 8.230 nan 0.000 0.440 367 G N -0.109 108.708 108.800 0.028 0.000 2.471 367 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 367 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 367 G C 1.586 176.448 174.900 -0.064 0.000 1.125 367 G CA 0.214 45.308 45.100 -0.010 0.000 0.775 367 G HN 0.258 nan 8.290 nan 0.000 0.548 368 L N -0.044 121.093 121.223 -0.143 0.000 2.265 368 L HA -0.023 4.317 4.340 -0.000 0.000 0.215 368 L C 1.854 178.425 176.870 -0.499 0.000 1.117 368 L CA 0.739 55.370 54.840 -0.347 0.000 0.782 368 L CB -0.217 41.536 42.059 -0.510 0.000 0.914 368 L HN 0.316 nan 8.230 nan 0.000 0.441 369 H N -1.108 117.966 119.070 0.006 0.000 2.592 369 H HA 0.204 4.760 4.556 -0.000 0.000 0.279 369 H C 1.897 177.221 175.328 -0.007 0.000 1.089 369 H CA -0.046 56.006 56.048 0.006 0.000 1.150 369 H CB 0.546 30.320 29.762 0.020 0.000 1.575 369 H HN 0.316 nan 8.280 nan 0.000 0.547 370 L N 0.997 122.243 121.223 0.038 0.000 2.362 370 L HA -0.072 4.268 4.340 -0.000 0.000 0.219 370 L C 1.733 178.601 176.870 -0.003 0.000 1.134 370 L CA 1.582 56.428 54.840 0.010 0.000 0.807 370 L CB -0.224 41.829 42.059 -0.011 0.000 0.927 370 L HN 0.245 nan 8.230 nan 0.000 0.447 371 T N -6.111 108.442 114.554 -0.001 0.000 3.129 371 T HA 0.163 4.513 4.350 -0.000 0.000 0.267 371 T C 0.236 174.941 174.700 0.007 0.000 1.018 371 T CA -0.615 61.481 62.100 -0.006 0.000 0.903 371 T CB -0.089 68.769 68.868 -0.016 0.000 1.067 371 T HN -0.080 nan 8.240 nan 0.000 0.549 372 D N 3.372 123.792 120.400 0.034 0.000 2.424 372 D HA 0.238 4.877 4.640 -0.000 0.000 0.244 372 D C -1.373 174.934 176.300 0.012 0.000 1.134 372 D CA -1.924 52.104 54.000 0.047 0.000 0.881 372 D CB 1.403 42.267 40.800 0.107 0.000 1.191 372 D HN 0.031 nan 8.370 nan 0.000 0.445 373 P HA -0.126 nan 4.420 nan 0.000 0.218 373 P C 0.136 177.415 177.300 -0.036 0.000 1.146 373 P CA 0.936 64.025 63.100 -0.017 0.000 0.820 373 P CB 0.258 31.949 31.700 -0.015 0.000 0.778 374 S N -1.114 114.563 115.700 -0.040 0.000 2.455 374 S HA 0.297 4.767 4.470 -0.000 0.000 0.278 374 S C 1.553 176.113 174.600 -0.067 0.000 1.216 374 S CA 0.160 58.317 58.200 -0.073 0.000 1.055 374 S CB 0.394 63.539 63.200 -0.091 0.000 0.939 374 S HN 0.138 nan 8.310 nan 0.000 0.494 375 Q N 5.503 125.253 119.800 -0.083 0.000 2.079 375 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 375 Q C 2.073 178.021 176.000 -0.087 0.000 0.974 375 Q CA 1.888 57.642 55.803 -0.082 0.000 0.840 375 Q CB -0.869 27.822 28.738 -0.079 0.000 0.898 375 Q HN 1.007 nan 8.270 nan 0.000 0.430 376 R N -0.462 119.980 120.500 -0.096 0.000 2.120 376 R HA -0.016 4.324 4.340 -0.000 0.000 0.234 376 R C 2.185 178.531 176.300 0.076 0.000 1.123 376 R CA 1.573 57.649 56.100 -0.039 0.000 0.975 376 R CB -0.588 29.594 30.300 -0.196 0.000 0.866 376 R HN 0.405 nan 8.270 nan 0.000 0.446 377 L N 1.231 122.476 121.223 0.037 0.000 2.044 377 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 377 L C 2.229 179.124 176.870 0.042 0.000 1.075 377 L CA 1.301 56.203 54.840 0.103 0.000 0.747 377 L CB -0.322 41.766 42.059 0.047 0.000 0.903 377 L HN 0.034 nan 8.230 nan 0.000 0.435 378 V N -0.225 119.682 119.914 -0.013 0.000 2.287 378 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 378 V C 2.653 178.664 176.094 -0.138 0.000 1.053 378 V CA 1.991 64.262 62.300 -0.047 0.000 1.027 378 V CB -0.737 31.048 31.823 -0.063 0.000 0.646 378 V HN 0.559 nan 8.190 nan 0.000 0.447 379 Q N 0.277 119.937 119.800 -0.234 0.000 2.119 379 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 379 Q C 2.046 177.704 176.000 -0.571 0.000 0.972 379 Q CA 1.625 57.089 55.803 -0.565 0.000 0.847 379 Q CB -0.418 27.888 28.738 -0.719 0.000 0.903 379 Q HN 0.629 nan 8.270 nan 0.000 0.433 380 N N -0.989 117.654 118.700 -0.095 0.000 2.216 380 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 380 N C 1.631 177.228 175.510 0.145 0.000 1.017 380 N CA 1.239 54.423 53.050 0.223 0.000 0.861 380 N CB -0.227 38.424 38.487 0.274 0.000 0.986 380 N HN 0.306 nan 8.380 nan 0.000 0.428 381 C N 0.931 120.265 119.300 0.057 0.000 2.446 381 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 381 C C 2.863 177.877 174.990 0.040 0.000 1.275 381 C CA 0.183 59.239 59.018 0.063 0.000 1.727 381 C CB -1.119 26.662 27.740 0.068 0.000 2.010 381 C HN 0.399 nan 8.230 nan 0.000 0.486 382 L N -0.669 120.527 121.223 -0.046 0.000 2.017 382 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 382 L C 2.758 179.651 176.870 0.037 0.000 1.073 382 L CA 1.564 56.363 54.840 -0.068 0.000 0.745 382 L CB -0.619 41.317 42.059 -0.204 0.000 0.894 382 L HN 0.491 nan 8.230 nan 0.000 0.432 383 W N 0.409 121.730 121.300 0.036 0.000 2.338 383 W HA -0.155 4.505 4.660 -0.000 0.000 0.304 383 W C 2.688 179.223 176.519 0.026 0.000 1.212 383 W CA 1.613 58.976 57.345 0.031 0.000 1.264 383 W CB -1.448 28.034 29.460 0.036 0.000 1.142 383 W HN 0.206 nan 8.180 nan 0.000 0.512 384 T N 1.241 115.954 114.554 0.265 0.000 2.737 384 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 384 T C 2.144 176.909 174.700 0.109 0.000 1.038 384 T CA 1.370 63.562 62.100 0.155 0.000 1.144 384 T CB -0.759 68.181 68.868 0.121 0.000 0.866 384 T HN -0.001 nan 8.240 nan 0.000 0.434 385 L N 0.488 121.768 121.223 0.095 0.000 2.043 385 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 385 L C 2.902 179.814 176.870 0.069 0.000 1.075 385 L CA 1.494 56.373 54.840 0.066 0.000 0.752 385 L CB -0.453 41.635 42.059 0.048 0.000 0.891 385 L HN 0.166 nan 8.230 nan 0.000 0.432 386 R N 0.005 120.560 120.500 0.092 0.000 2.073 386 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 386 R C 2.183 178.531 176.300 0.080 0.000 1.134 386 R CA 1.673 57.828 56.100 0.092 0.000 0.952 386 R CB -0.103 30.274 30.300 0.129 0.000 0.850 386 R HN 0.379 nan 8.270 nan 0.000 0.433 387 N N 0.621 119.373 118.700 0.087 0.000 2.104 387 N HA -0.159 4.580 4.740 -0.000 0.000 0.190 387 N C 1.766 177.301 175.510 0.042 0.000 1.024 387 N CA 1.254 54.339 53.050 0.058 0.000 0.853 387 N CB -0.166 38.353 38.487 0.052 0.000 1.008 387 N HN 0.277 nan 8.380 nan 0.000 0.424 388 L N 0.818 122.068 121.223 0.045 0.000 2.240 388 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 388 L C 2.344 179.232 176.870 0.030 0.000 1.106 388 L CA 0.580 55.441 54.840 0.033 0.000 0.793 388 L CB -0.521 41.559 42.059 0.034 0.000 0.927 388 L HN 0.173 nan 8.230 nan 0.000 0.446 389 S N 0.711 116.433 115.700 0.037 0.000 2.400 389 S HA -0.275 4.195 4.470 -0.000 0.000 0.234 389 S C 1.583 176.201 174.600 0.029 0.000 1.049 389 S CA 1.719 59.939 58.200 0.033 0.000 1.039 389 S CB -0.737 62.487 63.200 0.041 0.000 0.856 389 S HN 0.659 nan 8.310 nan 0.000 0.465 390 D N 1.776 122.194 120.400 0.031 0.000 2.378 390 D HA 0.170 4.810 4.640 -0.000 0.000 0.227 390 D C 1.162 177.473 176.300 0.017 0.000 1.012 390 D CA 0.870 54.887 54.000 0.028 0.000 0.905 390 D CB -0.298 40.520 40.800 0.031 0.000 0.895 390 D HN 0.651 nan 8.370 nan 0.000 0.532 391 A N -0.557 122.272 122.820 0.015 0.000 2.571 391 A HA 0.669 4.989 4.320 -0.000 0.000 0.274 391 A C 1.438 179.025 177.584 0.005 0.000 1.196 391 A CA 0.145 52.187 52.037 0.009 0.000 0.957 391 A CB 0.476 19.481 19.000 0.009 0.000 1.150 391 A HN 0.243 nan 8.150 nan 0.000 0.539 392 A N -0.237 122.586 122.820 0.005 0.000 2.538 392 A HA 0.314 4.634 4.320 -0.000 0.000 0.269 392 A C 1.682 179.260 177.584 -0.009 0.000 1.231 392 A CA 0.971 53.008 52.037 -0.000 0.000 0.948 392 A CB -0.860 18.143 19.000 0.005 0.000 1.110 392 A HN 0.577 nan 8.150 nan 0.000 0.529 393 T N -3.493 111.055 114.554 -0.011 0.000 3.051 393 T HA 0.047 4.397 4.350 -0.000 0.000 0.269 393 T C 1.412 176.091 174.700 -0.035 0.000 1.127 393 T CA 1.742 63.829 62.100 -0.023 0.000 1.107 393 T CB -0.338 68.516 68.868 -0.023 0.000 0.898 393 T HN 0.452 nan 8.240 nan 0.000 0.517 394 K N 0.043 120.427 120.400 -0.028 0.000 2.358 394 K HA 0.320 4.640 4.320 -0.000 0.000 0.200 394 K C 0.958 177.537 176.600 -0.034 0.000 1.030 394 K CA -0.204 56.063 56.287 -0.033 0.000 1.097 394 K CB -0.047 32.441 32.500 -0.021 0.000 0.862 394 K HN 0.393 nan 8.250 nan 0.000 0.534 395 Q N 1.474 121.255 119.800 -0.031 0.000 2.327 395 Q HA 0.195 4.535 4.340 -0.000 0.000 0.254 395 Q C -0.443 175.533 176.000 -0.040 0.000 0.952 395 Q CA 0.072 55.858 55.803 -0.028 0.000 0.884 395 Q CB 1.135 29.861 28.738 -0.020 0.000 1.224 395 Q HN 0.471 nan 8.270 nan 0.000 0.422 396 E N -0.440 119.739 120.200 -0.035 0.000 2.284 396 E HA 0.398 4.748 4.350 -0.000 0.000 0.255 396 E C 0.254 176.834 176.600 -0.033 0.000 1.052 396 E CA -0.398 55.978 56.400 -0.040 0.000 0.904 396 E CB 0.818 30.497 29.700 -0.035 0.000 1.217 396 E HN 0.785 nan 8.360 nan 0.000 0.438 397 G N 1.171 109.952 108.800 -0.033 0.000 2.273 397 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.280 397 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.280 397 G C 0.550 175.433 174.900 -0.028 0.000 1.047 397 G CA 0.526 45.609 45.100 -0.028 0.000 0.869 397 G HN 0.223 nan 8.290 nan 0.000 0.502 398 M N -0.891 118.689 119.600 -0.034 0.000 2.428 398 M HA 0.181 4.661 4.480 -0.000 0.000 0.239 398 M C 1.906 178.187 176.300 -0.031 0.000 1.121 398 M CA 0.487 55.768 55.300 -0.031 0.000 1.019 398 M CB -0.092 32.486 32.600 -0.035 0.000 1.485 398 M HN 0.285 nan 8.290 nan 0.000 0.484 399 E N 1.205 121.386 120.200 -0.032 0.000 2.033 399 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 399 E C 2.151 178.735 176.600 -0.026 0.000 1.011 399 E CA 2.005 58.388 56.400 -0.029 0.000 0.815 399 E CB -0.869 28.815 29.700 -0.026 0.000 0.755 399 E HN 0.561 nan 8.360 nan 0.000 0.451 400 G N 0.780 109.565 108.800 -0.026 0.000 2.446 400 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 400 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 400 G C 1.531 176.414 174.900 -0.027 0.000 1.168 400 G CA 1.001 46.084 45.100 -0.028 0.000 0.771 400 G HN 0.208 nan 8.290 nan 0.000 0.551 401 L N 0.645 121.852 121.223 -0.026 0.000 1.989 401 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 401 L C 2.786 179.644 176.870 -0.020 0.000 1.071 401 L CA 1.574 56.401 54.840 -0.022 0.000 0.749 401 L CB -0.680 41.369 42.059 -0.017 0.000 0.890 401 L HN 0.248 nan 8.230 nan 0.000 0.431 402 L N -0.634 120.577 121.223 -0.021 0.000 2.042 402 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 402 L C 2.549 179.407 176.870 -0.020 0.000 1.076 402 L CA 1.406 56.234 54.840 -0.021 0.000 0.749 402 L CB -1.490 40.553 42.059 -0.025 0.000 0.893 402 L HN 0.497 nan 8.230 nan 0.000 0.432 403 G N -0.956 107.831 108.800 -0.021 0.000 2.418 403 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 403 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 403 G C 1.586 176.474 174.900 -0.020 0.000 1.158 403 G CA 1.290 46.378 45.100 -0.020 0.000 0.771 403 G HN 0.299 nan 8.290 nan 0.000 0.545 404 T N 1.374 115.915 114.554 -0.022 0.000 2.777 404 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 404 T C 2.442 177.129 174.700 -0.022 0.000 1.040 404 T CA 0.804 62.890 62.100 -0.023 0.000 1.141 404 T CB -0.184 68.669 68.868 -0.025 0.000 0.868 404 T HN 0.155 nan 8.240 nan 0.000 0.444 405 L N 0.738 121.949 121.223 -0.020 0.000 2.046 405 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 405 L C 2.645 179.504 176.870 -0.019 0.000 1.077 405 L CA 0.860 55.688 54.840 -0.019 0.000 0.747 405 L CB -0.749 41.302 42.059 -0.013 0.000 0.896 405 L HN 0.136 nan 8.230 nan 0.000 0.432 406 V N -0.755 119.147 119.914 -0.020 0.000 2.407 406 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 406 V C 2.597 178.677 176.094 -0.023 0.000 1.055 406 V CA 1.504 63.791 62.300 -0.022 0.000 1.049 406 V CB -0.460 31.349 31.823 -0.024 0.000 0.662 406 V HN 0.470 nan 8.190 nan 0.000 0.455 407 Q N -0.351 119.436 119.800 -0.022 0.000 2.050 407 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 407 Q C 2.254 178.241 176.000 -0.021 0.000 0.980 407 Q CA 1.488 57.279 55.803 -0.021 0.000 0.840 407 Q CB -0.389 28.337 28.738 -0.019 0.000 0.898 407 Q HN 0.556 nan 8.270 nan 0.000 0.424 408 L N 0.530 121.739 121.223 -0.024 0.000 2.353 408 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 408 L C 2.259 179.114 176.870 -0.024 0.000 1.133 408 L CA 0.332 55.156 54.840 -0.027 0.000 0.798 408 L CB -0.444 41.595 42.059 -0.033 0.000 0.922 408 L HN 0.185 nan 8.230 nan 0.000 0.445 409 L N -0.260 120.951 121.223 -0.021 0.000 2.191 409 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 409 L C 2.255 179.115 176.870 -0.016 0.000 1.103 409 L CA 1.169 55.998 54.840 -0.018 0.000 0.769 409 L CB -0.658 41.389 42.059 -0.020 0.000 0.908 409 L HN 0.326 nan 8.230 nan 0.000 0.438 410 G N -1.412 107.378 108.800 -0.016 0.000 3.141 410 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.218 410 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.218 410 G C 0.676 175.569 174.900 -0.012 0.000 1.170 410 G CA -0.017 45.075 45.100 -0.012 0.000 0.769 410 G HN 0.223 nan 8.290 nan 0.000 0.546 411 S N -0.000 115.690 115.700 -0.017 0.000 2.573 411 S HA 0.066 4.535 4.470 -0.000 0.000 0.277 411 S C 1.082 175.674 174.600 -0.015 0.000 1.346 411 S CA -0.277 57.912 58.200 -0.019 0.000 1.034 411 S CB 0.745 63.928 63.200 -0.028 0.000 0.879 411 S HN 0.219 nan 8.310 nan 0.000 0.528 412 D N 1.001 121.393 120.400 -0.014 0.000 2.317 412 D HA 0.022 4.662 4.640 -0.000 0.000 0.211 412 D C 0.053 176.346 176.300 -0.011 0.000 0.966 412 D CA 0.517 54.511 54.000 -0.010 0.000 0.876 412 D CB -0.160 40.635 40.800 -0.009 0.000 0.927 412 D HN 0.574 nan 8.370 nan 0.000 0.519 413 D N 1.253 121.642 120.400 -0.019 0.000 2.336 413 D HA -0.015 4.625 4.640 -0.000 0.000 0.249 413 D C 1.501 177.790 176.300 -0.017 0.000 1.213 413 D CA -0.332 53.654 54.000 -0.022 0.000 0.870 413 D CB 0.740 41.516 40.800 -0.040 0.000 1.076 413 D HN -0.160 nan 8.370 nan 0.000 0.483 414 I N 3.727 124.295 120.570 -0.002 0.000 2.264 414 I HA -0.260 3.909 4.170 -0.000 0.000 0.248 414 I C 1.836 177.961 176.117 0.013 0.000 1.111 414 I CA 0.799 62.104 61.300 0.010 0.000 1.382 414 I CB -0.672 37.341 38.000 0.022 0.000 1.060 414 I HN 0.471 nan 8.210 nan 0.000 0.418 415 N N 0.523 119.228 118.700 0.009 0.000 2.270 415 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 415 N C 2.026 177.498 175.510 -0.063 0.000 1.016 415 N CA 0.877 53.932 53.050 0.010 0.000 0.870 415 N CB 0.015 38.511 38.487 0.015 0.000 0.979 415 N HN 0.200 nan 8.380 nan 0.000 0.431 416 V N 0.842 120.706 119.914 -0.084 0.000 2.323 416 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 416 V C 2.472 178.533 176.094 -0.054 0.000 1.041 416 V CA 1.001 63.242 62.300 -0.099 0.000 1.025 416 V CB -0.442 31.327 31.823 -0.090 0.000 0.656 416 V HN 0.014 nan 8.190 nan 0.000 0.451 417 V N 0.087 119.983 119.914 -0.030 0.000 2.343 417 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 417 V C 2.587 178.680 176.094 -0.002 0.000 1.051 417 V CA 2.631 64.922 62.300 -0.014 0.000 1.036 417 V CB -1.080 30.739 31.823 -0.006 0.000 0.654 417 V HN 0.614 nan 8.190 nan 0.000 0.451 418 T N -1.155 113.405 114.554 0.010 0.000 2.746 418 T HA -0.222 4.127 4.350 -0.000 0.000 0.267 418 T C 1.950 176.672 174.700 0.037 0.000 1.039 418 T CA 1.961 64.080 62.100 0.032 0.000 1.142 418 T CB -0.472 68.431 68.868 0.059 0.000 0.866 418 T HN 0.539 nan 8.240 nan 0.000 0.444 419 C N 1.467 120.780 119.300 0.022 0.000 2.466 419 C HA 0.200 4.660 4.460 -0.000 0.000 0.278 419 C C 3.228 178.224 174.990 0.011 0.000 1.288 419 C CA 0.157 59.190 59.018 0.025 0.000 1.722 419 C CB -1.398 26.324 27.740 -0.030 0.000 2.017 419 C HN 0.655 nan 8.230 nan 0.000 0.488 420 A N 0.873 123.688 122.820 -0.009 0.000 1.883 420 A HA -0.032 4.287 4.320 -0.000 0.000 0.217 420 A C 2.377 179.962 177.584 0.002 0.000 1.186 420 A CA 2.345 54.376 52.037 -0.009 0.000 0.624 420 A CB -1.053 17.936 19.000 -0.018 0.000 0.822 420 A HN 0.576 nan 8.150 nan 0.000 0.444 421 A N -0.570 122.252 122.820 0.004 0.000 1.865 421 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 421 A C 2.485 180.077 177.584 0.013 0.000 1.191 421 A CA 2.134 54.174 52.037 0.004 0.000 0.623 421 A CB -1.546 17.457 19.000 0.005 0.000 0.826 421 A HN 0.810 nan 8.150 nan 0.000 0.444 422 G N 0.001 108.817 108.800 0.027 0.000 2.446 422 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 422 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 422 G C 1.530 176.456 174.900 0.043 0.000 1.168 422 G CA 1.243 46.367 45.100 0.040 0.000 0.771 422 G HN 0.486 nan 8.290 nan 0.000 0.551 423 I N 0.335 120.929 120.570 0.039 0.000 2.226 423 I HA -0.123 4.046 4.170 -0.000 0.000 0.245 423 I C 2.723 178.861 176.117 0.034 0.000 1.100 423 I CA 0.641 61.963 61.300 0.037 0.000 1.374 423 I CB -0.215 37.802 38.000 0.028 0.000 1.057 423 I HN 0.112 nan 8.210 nan 0.000 0.413 424 L N -0.348 120.890 121.223 0.025 0.000 2.083 424 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 424 L C 2.743 179.644 176.870 0.052 0.000 1.083 424 L CA 1.318 56.172 54.840 0.025 0.000 0.752 424 L CB -0.538 41.526 42.059 0.008 0.000 0.899 424 L HN 0.256 nan 8.230 nan 0.000 0.433 425 S N 0.123 115.851 115.700 0.046 0.000 2.353 425 S HA -0.186 4.284 4.470 -0.000 0.000 0.222 425 S C 1.836 176.559 174.600 0.205 0.000 1.035 425 S CA 1.733 59.972 58.200 0.065 0.000 1.025 425 S CB -0.168 63.032 63.200 -0.000 0.000 0.902 425 S HN 0.440 nan 8.310 nan 0.000 0.440 426 N N 1.305 120.081 118.700 0.128 0.000 2.188 426 N HA 0.051 4.791 4.740 -0.000 0.000 0.184 426 N C 1.704 177.258 175.510 0.073 0.000 1.018 426 N CA 0.942 54.058 53.050 0.109 0.000 0.858 426 N CB -0.550 37.979 38.487 0.071 0.000 0.989 426 N HN 0.411 nan 8.380 nan 0.000 0.426 427 L N 0.521 121.779 121.223 0.058 0.000 2.217 427 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 427 L C 1.959 178.838 176.870 0.015 0.000 1.107 427 L CA 1.252 56.106 54.840 0.023 0.000 0.783 427 L CB -0.658 41.408 42.059 0.011 0.000 0.919 427 L HN 0.295 nan 8.230 nan 0.000 0.442 428 T N -4.154 110.440 114.554 0.067 0.000 3.081 428 T HA -0.054 4.296 4.350 -0.000 0.000 0.255 428 T C 0.974 175.664 174.700 -0.018 0.000 1.113 428 T CA -0.299 61.835 62.100 0.056 0.000 1.082 428 T CB -0.725 68.222 68.868 0.131 0.000 0.939 428 T HN 0.253 nan 8.240 nan 0.000 0.506 429 C N 3.573 122.828 119.300 -0.076 0.000 2.663 429 C HA 0.236 4.696 4.460 -0.000 0.000 0.398 429 C C 0.847 175.719 174.990 -0.197 0.000 1.356 429 C CA -0.388 58.411 59.018 -0.365 0.000 1.629 429 C CB -2.261 25.339 27.740 -0.233 0.000 2.402 429 C HN 0.716 nan 8.230 nan 0.000 0.598 430 N N 3.070 121.655 118.700 -0.191 0.000 2.725 430 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 430 N C -0.656 174.840 175.510 -0.023 0.000 1.103 430 N CA 1.259 54.267 53.050 -0.071 0.000 0.707 430 N CB -1.235 37.218 38.487 -0.056 0.000 1.043 430 N HN 0.916 nan 8.380 nan 0.000 0.553 431 N N 0.355 119.033 118.700 -0.038 0.000 2.617 431 N HA 0.074 4.814 4.740 -0.000 0.000 0.263 431 N C 1.056 176.522 175.510 -0.073 0.000 1.074 431 N CA -0.462 52.547 53.050 -0.069 0.000 0.841 431 N CB 0.404 38.830 38.487 -0.100 0.000 1.221 431 N HN 0.209 nan 8.380 nan 0.000 0.529 432 Y N 3.077 123.354 120.300 -0.039 0.000 2.207 432 Y HA -0.035 4.515 4.550 -0.000 0.000 0.287 432 Y C 1.583 177.442 175.900 -0.068 0.000 1.156 432 Y CA 1.207 59.282 58.100 -0.041 0.000 1.182 432 Y CB -0.140 38.339 38.460 0.032 0.000 0.979 432 Y HN 0.238 nan 8.280 nan 0.000 0.521 433 K N 0.420 120.438 120.400 -0.637 0.000 2.026 433 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 433 K C 1.727 178.209 176.600 -0.197 0.000 1.048 433 K CA 1.617 57.658 56.287 -0.410 0.000 0.929 433 K CB -0.294 31.914 32.500 -0.486 0.000 0.713 433 K HN 0.341 nan 8.250 nan 0.000 0.439 434 N N 1.197 119.786 118.700 -0.185 0.000 2.188 434 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 434 N C 1.466 176.903 175.510 -0.121 0.000 1.018 434 N CA 1.168 54.147 53.050 -0.119 0.000 0.858 434 N CB -0.067 38.365 38.487 -0.092 0.000 0.989 434 N HN 0.199 nan 8.380 nan 0.000 0.426 435 K N 0.123 120.417 120.400 -0.177 0.000 2.032 435 K HA -0.029 4.291 4.320 -0.000 0.000 0.209 435 K C 1.932 178.351 176.600 -0.302 0.000 1.048 435 K CA 0.956 57.057 56.287 -0.310 0.000 0.927 435 K CB -0.092 32.041 32.500 -0.611 0.000 0.712 435 K HN 0.114 nan 8.250 nan 0.000 0.441 436 M N 0.378 119.856 119.600 -0.203 0.000 2.080 436 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 436 M C 2.248 178.542 176.300 -0.011 0.000 1.068 436 M CA 1.743 57.029 55.300 -0.023 0.000 1.109 436 M CB -0.668 31.978 32.600 0.076 0.000 1.342 436 M HN 0.254 nan 8.290 nan 0.000 0.405 437 M N -0.824 118.754 119.600 -0.037 0.000 2.132 437 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 437 M C 2.189 178.476 176.300 -0.022 0.000 1.065 437 M CA 1.168 56.453 55.300 -0.025 0.000 1.122 437 M CB -0.520 32.057 32.600 -0.037 0.000 1.365 437 M HN 0.048 nan 8.290 nan 0.000 0.411 438 V N -0.246 119.647 119.914 -0.035 0.000 2.343 438 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 438 V C 2.395 178.483 176.094 -0.010 0.000 1.051 438 V CA 1.705 63.989 62.300 -0.025 0.000 1.036 438 V CB -0.707 31.098 31.823 -0.030 0.000 0.654 438 V HN 0.589 nan 8.190 nan 0.000 0.451 439 C N -0.510 118.792 119.300 0.004 0.000 2.429 439 C HA -0.186 4.274 4.460 -0.000 0.000 0.277 439 C C 2.836 177.846 174.990 0.033 0.000 1.262 439 C CA 0.961 60.003 59.018 0.040 0.000 1.733 439 C CB -1.109 26.696 27.740 0.108 0.000 2.010 439 C HN 0.599 nan 8.230 nan 0.000 0.483 440 Q N 0.430 120.247 119.800 0.029 0.000 2.226 440 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 440 Q C 1.844 177.852 176.000 0.013 0.000 0.975 440 Q CA 1.625 57.443 55.803 0.025 0.000 0.866 440 Q CB -0.161 28.592 28.738 0.024 0.000 0.915 440 Q HN 0.778 nan 8.270 nan 0.000 0.440 441 V N -3.561 116.354 119.914 0.002 0.000 3.421 441 V HA 0.445 4.565 4.120 -0.000 0.000 0.316 441 V C 0.845 176.932 176.094 -0.011 0.000 1.347 441 V CA 0.401 62.698 62.300 -0.005 0.000 1.183 441 V CB -0.378 31.439 31.823 -0.011 0.000 1.092 441 V HN 0.336 nan 8.190 nan 0.000 0.433 442 G N -0.029 108.765 108.800 -0.010 0.000 2.182 442 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 442 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 442 G C 0.892 175.756 174.900 -0.060 0.000 1.042 442 G CA 0.282 45.362 45.100 -0.033 0.000 0.775 442 G HN 1.173 nan 8.290 nan 0.000 0.501 443 G N -0.050 108.726 108.800 -0.039 0.000 2.432 443 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.219 443 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.219 443 G C 1.723 176.586 174.900 -0.062 0.000 1.135 443 G CA 1.353 46.427 45.100 -0.043 0.000 0.767 443 G HN 0.483 nan 8.290 nan 0.000 0.550 444 I N 1.100 121.630 120.570 -0.066 0.000 2.142 444 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 444 I C 2.527 178.521 176.117 -0.204 0.000 1.078 444 I CA 1.490 62.742 61.300 -0.081 0.000 1.343 444 I CB -1.152 36.835 38.000 -0.020 0.000 1.046 444 I HN 0.385 nan 8.210 nan 0.000 0.405 445 E N 1.072 121.023 120.200 -0.414 0.000 2.085 445 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 445 E C 2.260 178.705 176.600 -0.260 0.000 0.994 445 E CA 1.548 57.566 56.400 -0.637 0.000 0.801 445 E CB 0.062 29.311 29.700 -0.752 0.000 0.743 445 E HN 0.425 nan 8.360 nan 0.000 0.453 446 A N 0.915 123.638 122.820 -0.162 0.000 1.902 446 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 446 A C 2.204 179.751 177.584 -0.061 0.000 1.181 446 A CA 1.105 53.090 52.037 -0.086 0.000 0.623 446 A CB -0.590 18.373 19.000 -0.062 0.000 0.818 446 A HN 0.316 nan 8.150 nan 0.000 0.443 447 L N -0.600 120.586 121.223 -0.062 0.000 2.093 447 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 447 L C 2.491 179.345 176.870 -0.026 0.000 1.085 447 L CA 0.825 55.643 54.840 -0.037 0.000 0.755 447 L CB -0.393 41.648 42.059 -0.031 0.000 0.904 447 L HN 0.240 nan 8.230 nan 0.000 0.435 448 V N -0.322 119.569 119.914 -0.038 0.000 2.343 448 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 448 V C 2.587 178.687 176.094 0.010 0.000 1.051 448 V CA 1.657 63.953 62.300 -0.007 0.000 1.036 448 V CB -0.602 31.219 31.823 -0.003 0.000 0.654 448 V HN 0.391 nan 8.190 nan 0.000 0.451 449 R N -0.389 120.106 120.500 -0.007 0.000 2.081 449 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 449 R C 2.456 178.763 176.300 0.011 0.000 1.131 449 R CA 1.892 57.999 56.100 0.012 0.000 0.960 449 R CB -0.598 29.702 30.300 -0.001 0.000 0.856 449 R HN 0.494 nan 8.270 nan 0.000 0.436 450 T N 0.482 115.036 114.554 -0.000 0.000 2.708 450 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 450 T C 1.913 176.620 174.700 0.011 0.000 1.037 450 T CA 1.344 63.445 62.100 0.003 0.000 1.146 450 T CB -0.122 68.743 68.868 -0.004 0.000 0.865 450 T HN -0.000 nan 8.240 nan 0.000 0.435 451 V N 1.404 121.325 119.914 0.013 0.000 2.358 451 V HA -0.089 4.031 4.120 -0.000 0.000 0.246 451 V C 2.482 178.593 176.094 0.028 0.000 1.047 451 V CA 1.339 63.652 62.300 0.021 0.000 1.035 451 V CB -0.654 31.182 31.823 0.022 0.000 0.658 451 V HN 0.430 nan 8.190 nan 0.000 0.452 452 L N 0.417 121.660 121.223 0.033 0.000 2.042 452 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 452 L C 2.686 179.575 176.870 0.031 0.000 1.076 452 L CA 2.204 57.068 54.840 0.040 0.000 0.749 452 L CB -0.545 41.547 42.059 0.054 0.000 0.893 452 L HN 0.447 nan 8.230 nan 0.000 0.432 453 R N -0.196 120.319 120.500 0.025 0.000 2.297 453 R HA 0.149 4.489 4.340 -0.000 0.000 0.197 453 R C 1.897 178.208 176.300 0.018 0.000 0.943 453 R CA 0.737 56.849 56.100 0.020 0.000 1.038 453 R CB -0.200 30.110 30.300 0.017 0.000 0.957 453 R HN 0.153 nan 8.270 nan 0.000 0.484 454 A N 1.519 124.351 122.820 0.020 0.000 2.067 454 A HA 0.282 4.602 4.320 -0.000 0.000 0.217 454 A C 1.510 179.107 177.584 0.023 0.000 1.156 454 A CA 0.779 52.828 52.037 0.020 0.000 0.683 454 A CB -0.627 18.386 19.000 0.021 0.000 0.808 454 A HN 0.617 nan 8.150 nan 0.000 0.455 455 G N 0.795 109.609 108.800 0.024 0.000 2.611 455 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.301 455 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.301 455 G C 0.385 175.302 174.900 0.028 0.000 1.233 455 G CA 1.036 46.151 45.100 0.024 0.000 0.993 455 G HN 0.953 nan 8.290 nan 0.000 0.553 456 D N 0.838 121.256 120.400 0.029 0.000 2.349 456 D HA 0.101 4.741 4.640 -0.000 0.000 0.224 456 D C 1.236 177.562 176.300 0.043 0.000 1.029 456 D CA 0.285 54.307 54.000 0.038 0.000 0.879 456 D CB -0.216 40.607 40.800 0.038 0.000 0.906 456 D HN 0.640 nan 8.370 nan 0.000 0.528 457 R N 1.175 121.696 120.500 0.035 0.000 2.387 457 R HA 0.120 4.460 4.340 -0.000 0.000 0.321 457 R C 0.396 176.717 176.300 0.035 0.000 1.174 457 R CA 0.062 56.181 56.100 0.032 0.000 1.002 457 R CB 0.141 30.457 30.300 0.028 0.000 1.028 457 R HN 0.336 nan 8.270 nan 0.000 0.482 458 E N 1.282 121.505 120.200 0.038 0.000 2.347 458 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 458 E C 0.560 177.179 176.600 0.031 0.000 1.008 458 E CA 0.529 56.953 56.400 0.041 0.000 0.852 458 E CB 0.228 29.960 29.700 0.053 0.000 0.783 458 E HN 0.507 nan 8.360 nan 0.000 0.505 459 D N 0.485 120.901 120.400 0.027 0.000 2.219 459 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 459 D C 1.787 178.108 176.300 0.034 0.000 0.970 459 D CA 0.882 54.900 54.000 0.031 0.000 0.851 459 D CB 0.173 40.994 40.800 0.036 0.000 0.943 459 D HN 0.267 nan 8.370 nan 0.000 0.488 460 I N 0.497 121.085 120.570 0.030 0.000 2.556 460 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 460 I C 2.500 178.630 176.117 0.021 0.000 1.105 460 I CA 0.973 62.288 61.300 0.025 0.000 1.436 460 I CB -0.268 37.746 38.000 0.022 0.000 1.139 460 I HN -0.010 nan 8.210 nan 0.000 0.438 461 T N -1.454 113.115 114.554 0.025 0.000 2.821 461 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 461 T C 1.688 176.401 174.700 0.022 0.000 1.046 461 T CA 1.385 63.500 62.100 0.024 0.000 1.139 461 T CB -0.395 68.492 68.868 0.032 0.000 0.871 461 T HN 0.367 nan 8.240 nan 0.000 0.454 462 E N 2.129 122.347 120.200 0.029 0.000 2.031 462 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 462 E C -0.290 176.316 176.600 0.009 0.000 0.994 462 E CA 1.376 57.794 56.400 0.030 0.000 0.800 462 E CB -0.640 29.087 29.700 0.045 0.000 0.752 462 E HN 0.455 nan 8.360 nan 0.000 0.447 463 P HA -0.097 nan 4.420 nan 0.000 0.217 463 P C 1.124 178.404 177.300 -0.033 0.000 1.151 463 P CA 1.725 64.820 63.100 -0.008 0.000 0.828 463 P CB -0.039 31.669 31.700 0.013 0.000 0.788 464 A N 0.387 123.196 122.820 -0.018 0.000 1.902 464 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 464 A C 2.290 179.851 177.584 -0.038 0.000 1.181 464 A CA 1.312 53.334 52.037 -0.024 0.000 0.623 464 A CB -1.309 17.686 19.000 -0.008 0.000 0.818 464 A HN 0.037 nan 8.150 nan 0.000 0.443 465 I N -0.277 120.276 120.570 -0.029 0.000 2.315 465 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 465 I C 2.473 178.541 176.117 -0.080 0.000 1.117 465 I CA 0.960 62.242 61.300 -0.029 0.000 1.404 465 I CB -1.512 36.488 38.000 -0.000 0.000 1.071 465 I HN 0.355 nan 8.210 nan 0.000 0.419 466 C N 0.904 120.130 119.300 -0.123 0.000 2.422 466 C HA -0.066 4.394 4.460 -0.000 0.000 0.279 466 C C 3.140 177.790 174.990 -0.567 0.000 1.305 466 C CA 0.854 59.702 59.018 -0.284 0.000 1.757 466 C CB -1.154 26.453 27.740 -0.221 0.000 1.962 466 C HN 0.578 nan 8.230 nan 0.000 0.499 467 A N 0.273 122.905 122.820 -0.314 0.000 1.873 467 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 467 A C 2.103 179.621 177.584 -0.109 0.000 1.186 467 A CA 1.278 53.185 52.037 -0.216 0.000 0.616 467 A CB -0.590 18.362 19.000 -0.080 0.000 0.823 467 A HN 0.580 nan 8.150 nan 0.000 0.442 468 L N -0.881 120.299 121.223 -0.071 0.000 2.131 468 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 468 L C 2.795 179.676 176.870 0.018 0.000 1.092 468 L CA 1.601 56.436 54.840 -0.009 0.000 0.759 468 L CB -0.405 41.653 42.059 -0.003 0.000 0.903 468 L HN 0.496 nan 8.230 nan 0.000 0.435 469 R N -0.721 119.765 120.500 -0.024 0.000 2.073 469 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 469 R C 2.403 178.803 176.300 0.166 0.000 1.134 469 R CA 1.574 57.702 56.100 0.046 0.000 0.952 469 R CB -0.212 30.099 30.300 0.018 0.000 0.850 469 R HN 0.367 nan 8.270 nan 0.000 0.433 470 H N 0.784 119.889 119.070 0.058 0.000 2.353 470 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 470 H C 2.073 177.452 175.328 0.086 0.000 1.090 470 H CA 1.497 57.582 56.048 0.060 0.000 1.327 470 H CB -0.419 29.363 29.762 0.034 0.000 1.383 470 H HN 0.228 nan 8.280 nan 0.000 0.508 471 L N 0.634 121.981 121.223 0.207 0.000 2.362 471 L HA -0.064 4.276 4.340 -0.000 0.000 0.219 471 L C 1.525 178.598 176.870 0.339 0.000 1.134 471 L CA 1.451 56.416 54.840 0.209 0.000 0.807 471 L CB -0.356 41.777 42.059 0.123 0.000 0.927 471 L HN 0.334 nan 8.230 nan 0.000 0.447 472 T N -3.844 110.834 114.554 0.206 0.000 3.244 472 T HA 0.213 4.562 4.350 -0.000 0.000 0.254 472 T C 0.372 175.131 174.700 0.098 0.000 1.024 472 T CA -0.025 62.153 62.100 0.129 0.000 0.920 472 T CB -0.210 68.706 68.868 0.081 0.000 1.042 472 T HN 0.255 nan 8.240 nan 0.000 0.572 473 S N 0.457 116.256 115.700 0.164 0.000 2.537 473 S HA 0.556 5.026 4.470 -0.000 0.000 0.271 473 S C -0.389 174.315 174.600 0.174 0.000 1.148 473 S CA -1.236 57.033 58.200 0.114 0.000 0.868 473 S CB 1.449 64.711 63.200 0.104 0.000 1.115 473 S HN 0.327 nan 8.310 nan 0.000 0.461 474 R N 0.664 121.212 120.500 0.081 0.000 3.416 474 R HA -0.218 4.122 4.340 -0.000 0.000 0.263 474 R C -0.454 175.945 176.300 0.165 0.000 1.053 474 R CA 1.672 57.823 56.100 0.085 0.000 0.705 474 R CB -2.916 27.432 30.300 0.081 0.000 1.124 474 R HN 1.080 nan 8.270 nan 0.000 0.444 475 H N -6.974 112.107 119.070 0.019 0.000 3.014 475 H HA 0.495 5.051 4.556 -0.000 0.000 0.337 475 H C 0.852 176.185 175.328 0.008 0.000 1.320 475 H CA -0.213 55.851 56.048 0.027 0.000 1.128 475 H CB 0.674 30.502 29.762 0.110 0.000 1.862 475 H HN -0.088 nan 8.280 nan 0.000 0.536 476 Q N 0.699 120.533 119.800 0.057 0.000 2.197 476 Q HA -0.151 4.189 4.340 -0.000 0.000 0.207 476 Q C 1.146 177.096 176.000 -0.083 0.000 0.984 476 Q CA 2.296 58.092 55.803 -0.012 0.000 0.869 476 Q CB -0.793 27.977 28.738 0.054 0.000 0.906 476 Q HN 0.852 nan 8.270 nan 0.000 0.426 477 E N -1.117 119.024 120.200 -0.099 0.000 2.465 477 E HA 0.437 4.787 4.350 -0.000 0.000 0.195 477 E C 1.949 178.306 176.600 -0.405 0.000 1.028 477 E CA 0.202 56.534 56.400 -0.113 0.000 0.899 477 E CB 0.320 30.118 29.700 0.162 0.000 1.032 477 E HN 0.642 nan 8.360 nan 0.000 0.468 478 A N 1.586 123.860 122.820 -0.910 0.000 1.908 478 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 478 A C 2.301 179.754 177.584 -0.219 0.000 1.181 478 A CA 2.142 53.798 52.037 -0.635 0.000 0.627 478 A CB -0.713 17.993 19.000 -0.489 0.000 0.818 478 A HN 0.385 nan 8.150 nan 0.000 0.445 479 E N -0.785 119.309 120.200 -0.176 0.000 2.077 479 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 479 E C 1.971 178.530 176.600 -0.068 0.000 0.989 479 E CA 1.652 57.993 56.400 -0.097 0.000 0.800 479 E CB -0.653 28.996 29.700 -0.085 0.000 0.746 479 E HN 0.582 nan 8.360 nan 0.000 0.452 480 M N 0.632 120.193 119.600 -0.064 0.000 2.175 480 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 480 M C 2.514 178.813 176.300 -0.001 0.000 1.063 480 M CA 2.052 57.336 55.300 -0.026 0.000 1.119 480 M CB -0.788 31.806 32.600 -0.009 0.000 1.377 480 M HN 0.386 nan 8.290 nan 0.000 0.415 481 A N -0.063 122.760 122.820 0.006 0.000 1.929 481 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 481 A C 1.938 179.541 177.584 0.031 0.000 1.176 481 A CA 1.405 53.471 52.037 0.049 0.000 0.628 481 A CB -0.600 18.463 19.000 0.105 0.000 0.816 481 A HN 0.692 nan 8.150 nan 0.000 0.444 482 Q N -0.191 119.611 119.800 0.003 0.000 2.124 482 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 482 Q C 1.854 177.848 176.000 -0.011 0.000 0.977 482 Q CA 1.498 57.300 55.803 -0.002 0.000 0.850 482 Q CB -0.154 28.572 28.738 -0.020 0.000 0.901 482 Q HN 0.641 nan 8.270 nan 0.000 0.429 483 N N 0.004 118.691 118.700 -0.023 0.000 2.207 483 N HA -0.057 4.683 4.740 -0.000 0.000 0.182 483 N C 1.705 177.192 175.510 -0.039 0.000 1.020 483 N CA 1.054 54.082 53.050 -0.037 0.000 0.858 483 N CB -0.055 38.405 38.487 -0.046 0.000 0.991 483 N HN 0.190 nan 8.380 nan 0.000 0.427 484 A N 1.122 123.939 122.820 -0.005 0.000 1.940 484 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 484 A C 2.504 180.140 177.584 0.088 0.000 1.176 484 A CA 1.195 53.258 52.037 0.042 0.000 0.631 484 A CB -0.774 18.304 19.000 0.131 0.000 0.814 484 A HN 0.096 nan 8.150 nan 0.000 0.446 485 V N -0.040 119.908 119.914 0.056 0.000 2.332 485 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 485 V C 2.668 178.760 176.094 -0.003 0.000 1.055 485 V CA 2.408 64.735 62.300 0.045 0.000 1.038 485 V CB -0.777 31.066 31.823 0.034 0.000 0.651 485 V HN 0.690 nan 8.190 nan 0.000 0.450 486 R N -0.143 120.337 120.500 -0.033 0.000 2.066 486 R HA -0.079 4.260 4.340 -0.000 0.000 0.232 486 R C 2.251 178.448 176.300 -0.171 0.000 1.131 486 R CA 1.475 57.541 56.100 -0.056 0.000 0.955 486 R CB -0.279 29.999 30.300 -0.037 0.000 0.851 486 R HN 0.449 nan 8.270 nan 0.000 0.432 487 L N -0.237 120.838 121.223 -0.246 0.000 2.353 487 L HA -0.136 4.204 4.340 -0.000 0.000 0.220 487 L C 1.024 177.323 176.870 -0.953 0.000 1.133 487 L CA 1.122 55.682 54.840 -0.466 0.000 0.798 487 L CB -0.263 41.556 42.059 -0.399 0.000 0.922 487 L HN 0.339 nan 8.230 nan 0.000 0.445 488 H N -2.111 116.613 119.070 -0.575 0.000 2.505 488 H HA 0.103 4.659 4.556 -0.000 0.000 0.289 488 H C -0.597 174.374 175.328 -0.595 0.000 1.052 488 H CA -0.351 55.296 56.048 -0.668 0.000 1.156 488 H CB 0.130 29.742 29.762 -0.250 0.000 1.507 488 H HN 0.107 nan 8.280 nan 0.000 0.548 489 Y N -1.641 118.700 120.300 0.068 0.000 3.389 489 Y HA -0.246 4.304 4.550 -0.000 0.000 0.213 489 Y C 1.564 177.498 175.900 0.057 0.000 1.272 489 Y CA 0.450 58.579 58.100 0.048 0.000 1.444 489 Y CB -1.961 36.523 38.460 0.040 0.000 1.445 489 Y HN 0.435 nan 8.280 nan 0.000 0.583 490 G N -0.814 108.039 108.800 0.088 0.000 2.921 490 G HA2 0.168 4.128 3.960 -0.000 0.000 0.213 490 G HA3 0.168 4.128 3.960 -0.000 0.000 0.213 490 G C 1.363 176.305 174.900 0.070 0.000 1.143 490 G CA 0.348 45.497 45.100 0.081 0.000 0.764 490 G HN 0.433 nan 8.290 nan 0.000 0.542 491 L N 0.736 121.999 121.223 0.067 0.000 2.012 491 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 491 L C 0.010 176.921 176.870 0.067 0.000 1.073 491 L CA 1.404 56.281 54.840 0.062 0.000 0.748 491 L CB -1.296 40.797 42.059 0.056 0.000 0.891 491 L HN 0.129 nan 8.230 nan 0.000 0.431 492 P HA -0.175 nan 4.420 nan 0.000 0.214 492 P C 1.994 179.331 177.300 0.062 0.000 1.163 492 P CA 1.186 64.324 63.100 0.063 0.000 0.883 492 P CB 0.033 31.769 31.700 0.059 0.000 0.788 493 V N -0.452 119.500 119.914 0.063 0.000 2.490 493 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 493 V C 2.139 178.269 176.094 0.060 0.000 1.061 493 V CA 1.717 64.051 62.300 0.057 0.000 1.064 493 V CB -0.856 31.000 31.823 0.055 0.000 0.670 493 V HN -0.109 nan 8.190 nan 0.000 0.461 494 V N -0.320 119.630 119.914 0.060 0.000 2.307 494 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 494 V C 2.456 178.589 176.094 0.066 0.000 1.045 494 V CA 2.161 64.495 62.300 0.056 0.000 1.024 494 V CB -0.348 31.506 31.823 0.051 0.000 0.651 494 V HN 0.452 nan 8.190 nan 0.000 0.449 495 V N 0.105 120.065 119.914 0.077 0.000 2.515 495 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 495 V C 2.388 178.580 176.094 0.163 0.000 1.058 495 V CA 2.150 64.509 62.300 0.098 0.000 1.064 495 V CB -0.744 31.141 31.823 0.104 0.000 0.675 495 V HN 0.585 nan 8.190 nan 0.000 0.461 496 K N 0.354 120.844 120.400 0.151 0.000 2.103 496 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 496 K C 1.984 178.694 176.600 0.184 0.000 1.048 496 K CA 1.474 57.872 56.287 0.185 0.000 0.930 496 K CB -0.234 32.311 32.500 0.074 0.000 0.716 496 K HN 0.425 nan 8.250 nan 0.000 0.444 497 L N 1.213 122.496 121.223 0.100 0.000 2.450 497 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 497 L C 1.985 178.868 176.870 0.021 0.000 1.149 497 L CA 0.402 55.277 54.840 0.059 0.000 0.816 497 L CB -0.221 41.865 42.059 0.045 0.000 0.932 497 L HN 0.263 nan 8.230 nan 0.000 0.449 498 L N -1.547 119.675 121.223 -0.002 0.000 2.313 498 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 498 L C 1.176 177.895 176.870 -0.250 0.000 1.119 498 L CA 0.225 54.984 54.840 -0.136 0.000 0.809 498 L CB -0.341 41.591 42.059 -0.211 0.000 0.933 498 L HN 0.333 nan 8.230 nan 0.000 0.449 499 H N -0.484 118.553 119.070 -0.056 0.000 2.495 499 H HA 0.256 4.812 4.556 -0.000 0.000 0.350 499 H C -2.015 173.249 175.328 -0.107 0.000 1.202 499 H CA -2.063 53.939 56.048 -0.076 0.000 1.322 499 H CB 0.360 30.094 29.762 -0.047 0.000 1.544 499 H HN -0.192 nan 8.280 nan 0.000 0.565 500 P HA -0.029 nan 4.420 nan 0.000 0.268 500 P C -1.631 175.647 177.300 -0.037 0.000 1.208 500 P CA -0.701 62.351 63.100 -0.080 0.000 0.777 500 P CB 0.245 31.902 31.700 -0.073 0.000 0.875 501 P HA 0.064 nan 4.420 nan 0.000 0.257 501 P C -0.482 176.689 177.300 -0.216 0.000 1.325 501 P CA 0.180 63.200 63.100 -0.134 0.000 0.850 501 P CB 0.226 31.894 31.700 -0.052 0.000 1.324 502 S N 0.766 116.384 115.700 -0.137 0.000 2.558 502 S HA 0.006 4.476 4.470 -0.000 0.000 0.293 502 S C 0.261 174.700 174.600 -0.269 0.000 1.292 502 S CA 0.324 58.465 58.200 -0.098 0.000 1.063 502 S CB -0.149 63.011 63.200 -0.066 0.000 0.831 502 S HN 0.355 nan 8.310 nan 0.000 0.499 503 H N -0.017 118.988 119.070 -0.108 0.000 2.508 503 H HA 0.255 4.811 4.556 -0.000 0.000 0.344 503 H C 0.475 175.757 175.328 -0.077 0.000 1.192 503 H CA -0.800 55.168 56.048 -0.133 0.000 1.290 503 H CB 0.336 30.087 29.762 -0.019 0.000 1.571 503 H HN 0.780 nan 8.280 nan 0.000 0.555 504 W N 0.782 122.169 121.300 0.145 0.000 2.290 504 W HA -0.173 4.487 4.660 -0.000 0.000 0.311 504 W C -0.783 175.790 176.519 0.089 0.000 1.238 504 W CA 1.047 58.448 57.345 0.093 0.000 1.255 504 W CB -1.424 28.088 29.460 0.086 0.000 1.145 504 W HN 0.614 nan 8.180 nan 0.000 0.506 505 P HA -0.217 nan 4.420 nan 0.000 0.215 505 P C 1.736 179.135 177.300 0.164 0.000 1.157 505 P CA 1.414 64.641 63.100 0.212 0.000 0.868 505 P CB -0.312 31.484 31.700 0.160 0.000 0.788 506 L N -0.859 120.448 121.223 0.140 0.000 2.093 506 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 506 L C 2.137 179.062 176.870 0.091 0.000 1.085 506 L CA 1.696 56.593 54.840 0.097 0.000 0.755 506 L CB -1.139 40.969 42.059 0.081 0.000 0.904 506 L HN -0.121 nan 8.230 nan 0.000 0.435 507 I N -0.381 120.250 120.570 0.102 0.000 2.179 507 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 507 I C 2.578 178.787 176.117 0.154 0.000 1.088 507 I CA 1.613 62.970 61.300 0.095 0.000 1.357 507 I CB -0.521 37.512 38.000 0.054 0.000 1.051 507 I HN 0.332 nan 8.210 nan 0.000 0.409 508 K N 1.568 122.098 120.400 0.216 0.000 2.063 508 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 508 K C 2.182 178.853 176.600 0.118 0.000 1.048 508 K CA 1.747 58.139 56.287 0.175 0.000 0.928 508 K CB -0.114 32.489 32.500 0.172 0.000 0.713 508 K HN 0.302 nan 8.250 nan 0.000 0.442 509 A N 0.588 123.470 122.820 0.103 0.000 1.898 509 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 509 A C 2.172 179.790 177.584 0.058 0.000 1.181 509 A CA 2.100 54.179 52.037 0.070 0.000 0.620 509 A CB -0.953 18.077 19.000 0.050 0.000 0.819 509 A HN 0.464 nan 8.150 nan 0.000 0.442 510 T N -0.376 114.214 114.554 0.060 0.000 2.788 510 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 510 T C 1.819 176.551 174.700 0.054 0.000 1.044 510 T CA 1.456 63.586 62.100 0.050 0.000 1.139 510 T CB -0.328 68.566 68.868 0.043 0.000 0.867 510 T HN 0.142 nan 8.240 nan 0.000 0.454 511 V N 1.390 121.345 119.914 0.067 0.000 2.427 511 V HA -0.059 4.061 4.120 -0.000 0.000 0.248 511 V C 2.839 178.973 176.094 0.067 0.000 1.051 511 V CA 1.879 64.220 62.300 0.069 0.000 1.048 511 V CB -1.235 30.640 31.823 0.088 0.000 0.666 511 V HN 0.586 nan 8.190 nan 0.000 0.456 512 G N -0.130 108.713 108.800 0.071 0.000 2.418 512 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 512 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 512 G C 1.571 176.511 174.900 0.067 0.000 1.158 512 G CA 1.112 46.255 45.100 0.072 0.000 0.771 512 G HN 0.447 nan 8.290 nan 0.000 0.545 513 L N 0.816 122.073 121.223 0.057 0.000 2.056 513 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 513 L C 2.633 179.533 176.870 0.051 0.000 1.078 513 L CA 1.311 56.181 54.840 0.051 0.000 0.749 513 L CB -0.435 41.647 42.059 0.037 0.000 0.901 513 L HN 0.254 nan 8.230 nan 0.000 0.433 514 I N -0.609 119.992 120.570 0.051 0.000 2.286 514 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 514 I C 2.721 178.869 176.117 0.053 0.000 1.115 514 I CA 1.332 62.663 61.300 0.052 0.000 1.392 514 I CB -0.409 37.622 38.000 0.051 0.000 1.065 514 I HN 0.344 nan 8.210 nan 0.000 0.418 515 R N 1.142 121.673 120.500 0.052 0.000 2.091 515 R HA -0.190 4.149 4.340 -0.000 0.000 0.238 515 R C 2.048 178.374 176.300 0.044 0.000 1.136 515 R CA 1.840 57.968 56.100 0.047 0.000 0.959 515 R CB -0.089 30.241 30.300 0.051 0.000 0.856 515 R HN 0.367 nan 8.270 nan 0.000 0.437 516 N N 0.524 119.254 118.700 0.050 0.000 2.171 516 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 516 N C 1.827 177.359 175.510 0.037 0.000 1.021 516 N CA 0.991 54.068 53.050 0.045 0.000 0.854 516 N CB -0.195 38.327 38.487 0.059 0.000 0.994 516 N HN 0.240 nan 8.380 nan 0.000 0.426 517 L N 0.602 121.850 121.223 0.041 0.000 2.131 517 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 517 L C 2.173 179.068 176.870 0.041 0.000 1.092 517 L CA 0.950 55.810 54.840 0.034 0.000 0.759 517 L CB -0.491 41.592 42.059 0.040 0.000 0.903 517 L HN 0.110 nan 8.230 nan 0.000 0.435 518 A N -0.078 122.784 122.820 0.070 0.000 2.121 518 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 518 A C 2.204 179.875 177.584 0.146 0.000 1.154 518 A CA 0.885 53.004 52.037 0.137 0.000 0.679 518 A CB -0.523 18.540 19.000 0.104 0.000 0.795 518 A HN 0.390 nan 8.150 nan 0.000 0.458 519 L N -0.998 120.256 121.223 0.053 0.000 2.275 519 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 519 L C 1.375 178.222 176.870 -0.038 0.000 1.119 519 L CA 0.174 55.027 54.840 0.021 0.000 0.790 519 L CB -0.507 41.551 42.059 -0.002 0.000 0.919 519 L HN 0.535 nan 8.230 nan 0.000 0.443 520 C N 1.270 120.521 119.300 -0.082 0.000 2.303 520 C HA 0.259 4.719 4.460 -0.000 0.000 0.341 520 C C -0.657 174.097 174.990 -0.392 0.000 1.244 520 C CA -1.801 57.120 59.018 -0.162 0.000 1.765 520 C CB 0.528 28.206 27.740 -0.102 0.000 2.379 520 C HN 0.100 nan 8.230 nan 0.000 0.530 521 P HA -0.129 nan 4.420 nan 0.000 0.216 521 P C 1.439 178.454 177.300 -0.474 0.000 1.150 521 P CA 2.245 64.893 63.100 -0.753 0.000 0.843 521 P CB 0.082 31.610 31.700 -0.287 0.000 0.787 522 A N -0.814 121.861 122.820 -0.241 0.000 2.125 522 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 522 A C 1.857 179.391 177.584 -0.082 0.000 1.156 522 A CA 1.509 53.475 52.037 -0.118 0.000 0.671 522 A CB -1.020 17.931 19.000 -0.081 0.000 0.794 522 A HN 0.157 nan 8.150 nan 0.000 0.459 523 N N -0.985 117.646 118.700 -0.116 0.000 2.353 523 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 523 N C 1.040 176.606 175.510 0.092 0.000 1.098 523 N CA 0.320 53.363 53.050 -0.012 0.000 0.872 523 N CB -0.290 38.196 38.487 -0.001 0.000 0.970 523 N HN 0.506 nan 8.380 nan 0.000 0.467 524 H N 1.388 120.469 119.070 0.018 0.000 2.290 524 H HA 0.006 4.561 4.556 -0.000 0.000 0.298 524 H C 1.945 177.296 175.328 0.039 0.000 1.087 524 H CA 1.605 57.668 56.048 0.026 0.000 1.291 524 H CB -0.472 29.306 29.762 0.027 0.000 1.369 524 H HN 0.216 nan 8.280 nan 0.000 0.492 525 A N 1.293 124.221 122.820 0.180 0.000 1.854 525 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 525 A C -0.079 177.550 177.584 0.075 0.000 1.192 525 A CA 1.429 53.533 52.037 0.111 0.000 0.611 525 A CB -1.323 17.729 19.000 0.087 0.000 0.832 525 A HN 0.379 nan 8.150 nan 0.000 0.442 526 P HA -0.155 nan 4.420 nan 0.000 0.216 526 P C 1.583 178.919 177.300 0.060 0.000 1.150 526 P CA 0.972 64.105 63.100 0.054 0.000 0.837 526 P CB -0.204 31.524 31.700 0.047 0.000 0.786 527 L N -0.601 120.666 121.223 0.073 0.000 2.046 527 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 527 L C 3.153 180.063 176.870 0.067 0.000 1.077 527 L CA 1.402 56.286 54.840 0.073 0.000 0.747 527 L CB -0.658 41.452 42.059 0.084 0.000 0.896 527 L HN -0.072 nan 8.230 nan 0.000 0.432 528 R N 0.583 121.123 120.500 0.067 0.000 2.075 528 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 528 R C 1.995 178.324 176.300 0.047 0.000 1.126 528 R CA 1.500 57.634 56.100 0.057 0.000 0.963 528 R CB -0.075 30.259 30.300 0.058 0.000 0.858 528 R HN 0.396 nan 8.270 nan 0.000 0.435 529 E N -0.076 120.150 120.200 0.043 0.000 2.265 529 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 529 E C 1.515 178.136 176.600 0.036 0.000 0.996 529 E CA 0.579 56.998 56.400 0.032 0.000 0.832 529 E CB 0.162 29.878 29.700 0.026 0.000 0.756 529 E HN 0.334 nan 8.360 nan 0.000 0.491 530 Q N -0.553 119.276 119.800 0.049 0.000 2.365 530 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 530 Q C 0.969 177.013 176.000 0.074 0.000 0.929 530 Q CA 0.603 56.439 55.803 0.055 0.000 0.948 530 Q CB 1.010 29.786 28.738 0.064 0.000 1.043 530 Q HN 0.406 nan 8.270 nan 0.000 0.505 531 G N 0.581 109.422 108.800 0.069 0.000 2.147 531 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.244 531 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.244 531 G C 0.985 175.945 174.900 0.100 0.000 1.005 531 G CA 0.602 45.753 45.100 0.085 0.000 0.713 531 G HN 0.474 nan 8.290 nan 0.000 0.515 532 A N -0.309 122.560 122.820 0.082 0.000 1.933 532 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 532 A C 2.383 179.998 177.584 0.051 0.000 1.175 532 A CA 1.802 53.879 52.037 0.066 0.000 0.628 532 A CB -0.264 18.773 19.000 0.062 0.000 0.814 532 A HN 0.781 nan 8.150 nan 0.000 0.444 533 I N 0.413 121.015 120.570 0.054 0.000 2.142 533 I HA -0.157 4.013 4.170 -0.000 0.000 0.240 533 I C -0.335 175.811 176.117 0.049 0.000 1.078 533 I CA 1.551 62.882 61.300 0.052 0.000 1.343 533 I CB -1.178 36.853 38.000 0.051 0.000 1.046 533 I HN 0.258 nan 8.210 nan 0.000 0.405 534 P HA -0.166 nan 4.420 nan 0.000 0.221 534 P C 1.394 178.713 177.300 0.031 0.000 1.150 534 P CA 1.418 64.542 63.100 0.041 0.000 0.800 534 P CB -0.070 31.658 31.700 0.047 0.000 0.787 535 R N 0.489 121.001 120.500 0.021 0.000 2.073 535 R HA 0.047 4.387 4.340 -0.000 0.000 0.229 535 R C 2.472 178.750 176.300 -0.037 0.000 1.120 535 R CA 1.130 57.197 56.100 -0.055 0.000 0.967 535 R CB -1.682 28.500 30.300 -0.196 0.000 0.862 535 R HN 0.126 nan 8.270 nan 0.000 0.436 536 L N -0.438 120.786 121.223 0.003 0.000 2.083 536 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 536 L C 2.228 179.132 176.870 0.057 0.000 1.083 536 L CA 0.980 55.842 54.840 0.037 0.000 0.752 536 L CB -0.391 41.702 42.059 0.055 0.000 0.899 536 L HN 0.022 nan 8.230 nan 0.000 0.433 537 V N -0.548 119.396 119.914 0.050 0.000 2.343 537 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 537 V C 2.453 178.564 176.094 0.028 0.000 1.051 537 V CA 1.657 63.980 62.300 0.037 0.000 1.036 537 V CB -0.505 31.328 31.823 0.015 0.000 0.654 537 V HN 0.492 nan 8.190 nan 0.000 0.451 538 Q N -0.445 119.371 119.800 0.025 0.000 2.061 538 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 538 Q C 2.331 178.369 176.000 0.063 0.000 0.984 538 Q CA 1.729 57.550 55.803 0.030 0.000 0.846 538 Q CB -0.285 28.462 28.738 0.014 0.000 0.902 538 Q HN 0.547 nan 8.270 nan 0.000 0.421 539 L N 0.227 121.495 121.223 0.075 0.000 2.046 539 L HA -0.212 4.127 4.340 -0.000 0.000 0.208 539 L C 2.428 179.400 176.870 0.171 0.000 1.077 539 L CA 0.532 55.470 54.840 0.163 0.000 0.747 539 L CB -0.497 41.659 42.059 0.162 0.000 0.896 539 L HN 0.276 nan 8.230 nan 0.000 0.432 540 L N -0.439 120.854 121.223 0.116 0.000 2.017 540 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 540 L C 2.387 179.318 176.870 0.102 0.000 1.073 540 L CA 1.681 56.583 54.840 0.103 0.000 0.745 540 L CB -0.499 41.616 42.059 0.093 0.000 0.894 540 L HN -0.092 nan 8.230 nan 0.000 0.432 541 V N 0.187 120.145 119.914 0.074 0.000 2.233 541 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 541 V C 2.834 178.991 176.094 0.106 0.000 1.050 541 V CA 2.146 64.493 62.300 0.078 0.000 1.010 541 V CB -0.834 31.011 31.823 0.037 0.000 0.637 541 V HN 0.544 nan 8.190 nan 0.000 0.444 542 R N 1.052 121.616 120.500 0.107 0.000 2.083 542 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 542 R C 2.145 178.504 176.300 0.098 0.000 1.137 542 R CA 2.143 58.313 56.100 0.118 0.000 0.951 542 R CB -1.117 29.287 30.300 0.173 0.000 0.851 542 R HN 0.458 nan 8.270 nan 0.000 0.434 543 A N -0.653 122.226 122.820 0.098 0.000 1.902 543 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 543 A C 2.177 179.755 177.584 -0.009 0.000 1.181 543 A CA 1.918 53.941 52.037 -0.024 0.000 0.623 543 A CB -0.965 17.994 19.000 -0.068 0.000 0.818 543 A HN 0.691 nan 8.150 nan 0.000 0.443 544 H N 0.483 119.539 119.070 -0.024 0.000 2.326 544 H HA -0.165 4.391 4.556 -0.000 0.000 0.301 544 H C 2.248 177.565 175.328 -0.019 0.000 1.081 544 H CA 2.153 58.189 56.048 -0.021 0.000 1.334 544 H CB -0.310 29.450 29.762 -0.003 0.000 1.385 544 H HN 0.697 nan 8.280 nan 0.000 0.504 545 Q N -0.188 119.519 119.800 -0.155 0.000 2.170 545 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 545 Q C 1.005 176.909 176.000 -0.160 0.000 0.976 545 Q CA 1.698 57.385 55.803 -0.193 0.000 0.858 545 Q CB -0.018 28.692 28.738 -0.048 0.000 0.907 545 Q HN 0.383 nan 8.270 nan 0.000 0.433 546 D N 1.163 121.499 120.400 -0.107 0.000 2.371 546 D HA -0.074 4.566 4.640 -0.000 0.000 0.221 546 D C 1.455 177.683 176.300 -0.121 0.000 0.986 546 D CA 1.522 55.469 54.000 -0.089 0.000 0.899 546 D CB 0.099 40.861 40.800 -0.063 0.000 0.902 546 D HN 0.597 nan 8.370 nan 0.000 0.530 547 T N -2.871 111.583 114.554 -0.167 0.000 3.081 547 T HA -0.009 4.341 4.350 -0.000 0.000 0.250 547 T C 0.940 175.554 174.700 -0.143 0.000 1.100 547 T CA -0.325 61.685 62.100 -0.150 0.000 1.038 547 T CB 0.027 68.814 68.868 -0.135 0.000 0.962 547 T HN 0.021 nan 8.240 nan 0.000 0.516 548 Q N 1.494 121.193 119.800 -0.169 0.000 2.289 548 Q HA 0.483 4.823 4.340 -0.000 0.000 0.273 548 Q C -0.180 175.773 176.000 -0.078 0.000 1.029 548 Q CA -0.099 55.627 55.803 -0.128 0.000 0.896 548 Q CB 0.365 29.024 28.738 -0.132 0.000 1.182 548 Q HN 0.662 nan 8.270 nan 0.000 0.385 549 R N 3.066 123.531 120.500 -0.058 0.000 2.764 549 R HA 0.509 4.849 4.340 -0.000 0.000 0.270 549 R C -0.929 175.353 176.300 -0.030 0.000 1.014 549 R CA -0.606 55.470 56.100 -0.039 0.000 0.904 549 R CB 0.843 31.122 30.300 -0.035 0.000 1.236 549 R HN 0.810 nan 8.270 nan 0.000 0.466 561 V N 2.238 122.207 119.914 0.091 0.000 2.409 561 V HA 0.715 4.835 4.120 -0.000 0.000 0.290 561 V C 0.384 176.601 176.094 0.206 0.000 1.017 561 V CA -0.856 61.503 62.300 0.099 0.000 0.841 561 V CB 1.457 33.251 31.823 -0.048 0.000 1.003 561 V HN 0.774 nan 8.190 nan 0.000 0.426 562 E N 3.975 124.328 120.200 0.254 0.000 2.360 562 E HA -0.227 4.123 4.350 -0.000 0.000 0.238 562 E C 1.158 177.900 176.600 0.236 0.000 1.186 562 E CA 0.920 57.480 56.400 0.266 0.000 0.719 562 E CB -1.220 28.719 29.700 0.398 0.000 1.236 562 E HN 2.410 nan 8.360 nan 0.000 0.386 563 G N -1.573 107.363 108.800 0.227 0.000 2.168 563 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 563 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 563 G C 0.236 175.351 174.900 0.357 0.000 0.977 563 G CA 0.339 45.590 45.100 0.252 0.000 0.659 563 G HN 0.416 nan 8.290 nan 0.000 0.533 564 V N 0.578 120.645 119.914 0.254 0.000 2.604 564 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 564 V C 0.552 176.521 176.094 -0.208 0.000 1.043 564 V CA -1.129 61.207 62.300 0.059 0.000 0.888 564 V CB 1.804 33.646 31.823 0.031 0.000 0.995 564 V HN 0.335 nan 8.190 nan 0.000 0.429 565 R N 4.190 124.468 120.500 -0.370 0.000 2.265 565 R HA 0.329 4.669 4.340 -0.000 0.000 0.314 565 R C 0.902 176.970 176.300 -0.387 0.000 1.053 565 R CA -0.672 55.111 56.100 -0.527 0.000 0.931 565 R CB 0.827 30.768 30.300 -0.598 0.000 1.024 565 R HN 0.593 nan 8.270 nan 0.000 0.457 566 M N 1.759 121.117 119.600 -0.402 0.000 2.260 566 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 566 M C 1.150 177.313 176.300 -0.228 0.000 1.066 566 M CA 1.725 56.798 55.300 -0.378 0.000 1.082 566 M CB -0.556 31.846 32.600 -0.330 0.000 1.388 566 M HN 0.539 nan 8.290 nan 0.000 0.419 567 E N 0.345 120.431 120.200 -0.190 0.000 2.204 567 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 567 E C 1.908 178.457 176.600 -0.086 0.000 0.990 567 E CA 0.995 57.330 56.400 -0.109 0.000 0.821 567 E CB -0.141 29.495 29.700 -0.106 0.000 0.750 567 E HN 0.575 nan 8.360 nan 0.000 0.477 568 E N -0.110 120.020 120.200 -0.117 0.000 2.107 568 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 568 E C 1.768 178.344 176.600 -0.040 0.000 0.982 568 E CA 0.564 56.923 56.400 -0.067 0.000 0.809 568 E CB 0.033 29.692 29.700 -0.069 0.000 0.756 568 E HN 0.233 nan 8.360 nan 0.000 0.459 569 I N 0.888 121.409 120.570 -0.082 0.000 2.353 569 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 569 I C 2.421 178.545 176.117 0.011 0.000 1.119 569 I CA 0.841 62.122 61.300 -0.032 0.000 1.417 569 I CB -0.941 36.982 38.000 -0.128 0.000 1.078 569 I HN -0.014 nan 8.210 nan 0.000 0.421 570 V N 0.925 120.836 119.914 -0.005 0.000 2.295 570 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 570 V C 2.689 178.808 176.094 0.041 0.000 1.049 570 V CA 1.885 64.208 62.300 0.038 0.000 1.024 570 V CB -0.566 31.288 31.823 0.052 0.000 0.648 570 V HN 0.412 nan 8.190 nan 0.000 0.447 571 E N 0.640 120.853 120.200 0.021 0.000 2.051 571 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 571 E C 2.284 178.904 176.600 0.034 0.000 0.991 571 E CA 1.692 58.105 56.400 0.022 0.000 0.799 571 E CB -0.552 29.157 29.700 0.014 0.000 0.748 571 E HN 0.539 nan 8.360 nan 0.000 0.449 572 G N 0.710 109.534 108.800 0.040 0.000 2.459 572 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 572 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 572 G C 2.017 176.955 174.900 0.064 0.000 1.183 572 G CA 1.130 46.262 45.100 0.054 0.000 0.776 572 G HN 0.394 nan 8.290 nan 0.000 0.552 573 C N 1.096 120.441 119.300 0.075 0.000 2.429 573 C HA -0.029 4.431 4.460 -0.000 0.000 0.277 573 C C 3.465 178.510 174.990 0.091 0.000 1.262 573 C CA 1.836 60.907 59.018 0.088 0.000 1.733 573 C CB -1.029 26.773 27.740 0.104 0.000 2.010 573 C HN 0.666 nan 8.230 nan 0.000 0.483 574 T N -0.857 113.749 114.554 0.086 0.000 2.821 574 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 574 T C 1.955 176.653 174.700 -0.003 0.000 1.046 574 T CA 1.764 63.895 62.100 0.051 0.000 1.139 574 T CB -0.733 68.152 68.868 0.029 0.000 0.871 574 T HN 0.507 nan 8.240 nan 0.000 0.454 575 G N 1.289 110.106 108.800 0.028 0.000 2.402 575 G HA2 0.090 4.049 3.960 -0.000 0.000 0.216 575 G HA3 0.090 4.049 3.960 -0.000 0.000 0.216 575 G C 1.920 176.854 174.900 0.057 0.000 1.162 575 G CA 0.763 45.898 45.100 0.058 0.000 0.777 575 G HN 0.728 nan 8.290 nan 0.000 0.539 576 A N 0.556 123.404 122.820 0.047 0.000 1.902 576 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 576 A C 2.424 180.021 177.584 0.022 0.000 1.181 576 A CA 1.195 53.254 52.037 0.037 0.000 0.623 576 A CB -0.378 18.652 19.000 0.050 0.000 0.818 576 A HN 0.351 nan 8.150 nan 0.000 0.443 577 L N -1.486 119.756 121.223 0.032 0.000 2.093 577 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 577 L C 2.626 179.480 176.870 -0.027 0.000 1.085 577 L CA 1.604 56.456 54.840 0.019 0.000 0.755 577 L CB -0.757 41.346 42.059 0.074 0.000 0.904 577 L HN 0.665 nan 8.230 nan 0.000 0.435 578 H N 0.381 119.349 119.070 -0.170 0.000 2.352 578 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 578 H C 2.240 177.474 175.328 -0.156 0.000 1.097 578 H CA 1.558 57.473 56.048 -0.221 0.000 1.311 578 H CB 0.400 30.015 29.762 -0.246 0.000 1.377 578 H HN 0.164 nan 8.280 nan 0.000 0.504 579 I N 1.016 121.451 120.570 -0.225 0.000 2.233 579 I HA -0.211 3.958 4.170 -0.000 0.000 0.243 579 I C 2.699 178.708 176.117 -0.179 0.000 1.093 579 I CA 0.722 61.878 61.300 -0.241 0.000 1.380 579 I CB -1.084 36.848 38.000 -0.114 0.000 1.067 579 I HN 0.335 nan 8.210 nan 0.000 0.413 580 L N 0.902 122.046 121.223 -0.132 0.000 2.191 580 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 580 L C 2.494 179.215 176.870 -0.248 0.000 1.103 580 L CA 0.953 55.679 54.840 -0.189 0.000 0.769 580 L CB -0.543 41.472 42.059 -0.073 0.000 0.908 580 L HN 0.175 nan 8.230 nan 0.000 0.438 581 A N -0.241 122.479 122.820 -0.166 0.000 2.239 581 A HA -0.112 4.208 4.320 -0.000 0.000 0.209 581 A C 2.210 179.700 177.584 -0.157 0.000 1.171 581 A CA 0.672 52.630 52.037 -0.131 0.000 0.768 581 A CB -0.449 18.501 19.000 -0.083 0.000 0.790 581 A HN 0.341 nan 8.150 nan 0.000 0.478 582 R N -0.173 120.194 120.500 -0.221 0.000 2.189 582 R HA -0.060 4.279 4.340 -0.000 0.000 0.223 582 R C 0.067 176.269 176.300 -0.164 0.000 1.092 582 R CA 0.877 56.879 56.100 -0.164 0.000 0.989 582 R CB -0.174 30.061 30.300 -0.108 0.000 0.876 582 R HN 0.640 nan 8.270 nan 0.000 0.457 583 D N -0.746 119.485 120.400 -0.281 0.000 2.210 583 D HA 0.024 4.664 4.640 -0.000 0.000 0.249 583 D C 0.944 177.162 176.300 -0.138 0.000 1.078 583 D CA -0.246 53.642 54.000 -0.186 0.000 0.875 583 D CB 1.835 42.492 40.800 -0.239 0.000 1.175 583 D HN -0.248 nan 8.370 nan 0.000 0.440 584 V N 4.608 124.422 119.914 -0.168 0.000 2.358 584 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 584 V C 1.607 177.600 176.094 -0.169 0.000 1.047 584 V CA 1.694 63.876 62.300 -0.198 0.000 1.035 584 V CB -0.679 30.981 31.823 -0.272 0.000 0.658 584 V HN 0.682 nan 8.190 nan 0.000 0.452 585 H N 0.374 119.440 119.070 -0.006 0.000 2.387 585 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 585 H C 2.269 177.593 175.328 -0.006 0.000 1.090 585 H CA 1.727 57.775 56.048 0.000 0.000 1.332 585 H CB -0.477 29.291 29.762 0.010 0.000 1.386 585 H HN 0.456 nan 8.280 nan 0.000 0.516 586 N N 1.082 119.828 118.700 0.076 0.000 2.166 586 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 586 N C 2.041 177.560 175.510 0.015 0.000 1.019 586 N CA 0.557 53.622 53.050 0.025 0.000 0.856 586 N CB -0.227 38.231 38.487 -0.047 0.000 0.993 586 N HN 0.354 nan 8.380 nan 0.000 0.426 587 R N 0.531 121.025 120.500 -0.009 0.000 2.091 587 R HA -0.006 4.334 4.340 -0.000 0.000 0.238 587 R C 2.197 178.513 176.300 0.026 0.000 1.136 587 R CA 0.869 56.969 56.100 0.000 0.000 0.959 587 R CB -0.388 29.899 30.300 -0.022 0.000 0.856 587 R HN 0.285 nan 8.270 nan 0.000 0.437 588 I N 0.265 120.855 120.570 0.033 0.000 2.179 588 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 588 I C 2.328 178.472 176.117 0.046 0.000 1.088 588 I CA 1.156 62.482 61.300 0.044 0.000 1.357 588 I CB -0.318 37.720 38.000 0.063 0.000 1.051 588 I HN -0.035 nan 8.210 nan 0.000 0.409 589 V N 1.286 121.231 119.914 0.052 0.000 2.287 589 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 589 V C 2.333 178.455 176.094 0.047 0.000 1.053 589 V CA 1.934 64.262 62.300 0.047 0.000 1.027 589 V CB -0.473 31.379 31.823 0.049 0.000 0.646 589 V HN 0.330 nan 8.190 nan 0.000 0.447 590 I N 0.222 120.827 120.570 0.059 0.000 2.179 590 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 590 I C 3.082 179.247 176.117 0.081 0.000 1.088 590 I CA 2.083 63.435 61.300 0.087 0.000 1.357 590 I CB -0.612 37.461 38.000 0.123 0.000 1.051 590 I HN 0.341 nan 8.210 nan 0.000 0.409 591 R N 1.032 121.574 120.500 0.070 0.000 2.115 591 R HA -0.036 4.304 4.340 -0.000 0.000 0.230 591 R C 2.278 178.594 176.300 0.026 0.000 1.111 591 R CA 1.428 57.560 56.100 0.053 0.000 0.976 591 R CB -2.191 28.137 30.300 0.047 0.000 0.870 591 R HN 0.557 nan 8.270 nan 0.000 0.445 592 G N 0.285 109.100 108.800 0.026 0.000 2.471 592 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.219 592 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.219 592 G C 1.342 176.245 174.900 0.006 0.000 1.125 592 G CA 0.641 45.751 45.100 0.016 0.000 0.775 592 G HN 0.462 nan 8.290 nan 0.000 0.548 593 L N 0.252 121.476 121.223 0.003 0.000 2.627 593 L HA 0.175 4.514 4.340 -0.000 0.000 0.232 593 L C 1.038 177.882 176.870 -0.043 0.000 1.150 593 L CA -0.196 54.636 54.840 -0.014 0.000 0.917 593 L CB -0.413 41.641 42.059 -0.009 0.000 1.104 593 L HN 0.227 nan 8.230 nan 0.000 0.445 594 N N 0.580 119.257 118.700 -0.039 0.000 2.714 594 N HA -0.218 4.522 4.740 -0.000 0.000 0.253 594 N C 1.018 176.452 175.510 -0.128 0.000 1.024 594 N CA 0.945 53.960 53.050 -0.059 0.000 0.726 594 N CB -0.722 37.739 38.487 -0.044 0.000 0.908 594 N HN 0.508 nan 8.380 nan 0.000 0.542 595 T N -3.166 111.279 114.554 -0.181 0.000 3.054 595 T HA 0.138 4.488 4.350 -0.000 0.000 0.259 595 T C 2.052 176.442 174.700 -0.517 0.000 1.092 595 T CA 0.717 62.538 62.100 -0.465 0.000 1.121 595 T CB -0.145 68.350 68.868 -0.623 0.000 0.912 595 T HN 0.358 nan 8.240 nan 0.000 0.489 596 I N 2.261 122.741 120.570 -0.149 0.000 2.185 596 I HA -0.130 4.040 4.170 -0.000 0.000 0.246 596 I C -0.596 175.501 176.117 -0.034 0.000 1.088 596 I CA 1.511 62.815 61.300 0.007 0.000 1.347 596 I CB -1.099 36.933 38.000 0.052 0.000 1.041 596 I HN 0.243 nan 8.210 nan 0.000 0.415 597 P HA -0.183 nan 4.420 nan 0.000 0.215 597 P C 1.766 179.025 177.300 -0.069 0.000 1.153 597 P CA 1.133 64.208 63.100 -0.043 0.000 0.853 597 P CB 0.016 31.690 31.700 -0.043 0.000 0.788 598 L N -1.433 119.680 121.223 -0.184 0.000 2.027 598 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 598 L C 2.047 178.823 176.870 -0.156 0.000 1.074 598 L CA 1.968 56.667 54.840 -0.235 0.000 0.745 598 L CB -1.595 40.244 42.059 -0.367 0.000 0.898 598 L HN -0.167 nan 8.230 nan 0.000 0.433 599 F N -0.669 119.228 119.950 -0.088 0.000 2.161 599 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 599 F C 2.529 178.271 175.800 -0.097 0.000 1.089 599 F CA 1.312 59.253 58.000 -0.099 0.000 1.282 599 F CB -1.465 37.484 39.000 -0.084 0.000 1.010 599 F HN -0.056 nan 8.300 nan 0.000 0.485 600 V N -0.450 119.529 119.914 0.109 0.000 2.358 600 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 600 V C 2.292 178.406 176.094 0.032 0.000 1.047 600 V CA 1.693 64.014 62.300 0.035 0.000 1.035 600 V CB -0.739 31.114 31.823 0.050 0.000 0.658 600 V HN 0.317 nan 8.190 nan 0.000 0.452 601 Q N -0.385 119.465 119.800 0.083 0.000 2.135 601 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 601 Q C 2.233 178.308 176.000 0.124 0.000 0.981 601 Q CA 1.510 57.416 55.803 0.171 0.000 0.856 601 Q CB -0.263 28.517 28.738 0.070 0.000 0.902 601 Q HN 0.549 nan 8.270 nan 0.000 0.425 602 L N 0.394 121.615 121.223 -0.003 0.000 2.353 602 L HA -0.160 4.180 4.340 -0.000 0.000 0.220 602 L C 2.012 178.870 176.870 -0.020 0.000 1.133 602 L CA 0.513 55.343 54.840 -0.017 0.000 0.798 602 L CB -0.316 41.733 42.059 -0.018 0.000 0.922 602 L HN 0.303 nan 8.230 nan 0.000 0.445 603 L N -1.502 119.660 121.223 -0.102 0.000 2.353 603 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 603 L C 1.806 178.525 176.870 -0.251 0.000 1.133 603 L CA 1.027 55.733 54.840 -0.223 0.000 0.798 603 L CB -0.383 41.454 42.059 -0.370 0.000 0.922 603 L HN 0.269 nan 8.230 nan 0.000 0.445 604 Y N -1.060 119.248 120.300 0.015 0.000 2.466 604 Y HA 0.105 4.655 4.550 -0.000 0.000 0.272 604 Y C 1.726 177.640 175.900 0.024 0.000 1.169 604 Y CA -0.368 57.744 58.100 0.020 0.000 1.285 604 Y CB -0.121 38.353 38.460 0.024 0.000 1.078 604 Y HN -0.035 nan 8.280 nan 0.000 0.523 605 S N 1.435 117.219 115.700 0.140 0.000 2.552 605 S HA -0.001 4.469 4.470 -0.000 0.000 0.289 605 S C -1.473 173.169 174.600 0.071 0.000 1.304 605 S CA -1.048 57.213 58.200 0.101 0.000 1.063 605 S CB 0.876 64.118 63.200 0.071 0.000 0.848 605 S HN 0.056 nan 8.310 nan 0.000 0.499 606 P HA 0.075 nan 4.420 nan 0.000 0.219 606 P C -0.127 177.189 177.300 0.027 0.000 1.150 606 P CA 0.785 63.910 63.100 0.041 0.000 0.814 606 P CB -0.016 31.703 31.700 0.031 0.000 0.787 607 I N 1.495 122.079 120.570 0.023 0.000 2.494 607 I HA -0.029 4.141 4.170 -0.000 0.000 0.289 607 I C 1.787 177.911 176.117 0.013 0.000 1.106 607 I CA 0.102 61.410 61.300 0.014 0.000 1.369 607 I CB 0.421 38.426 38.000 0.008 0.000 1.410 607 I HN 0.104 nan 8.210 nan 0.000 0.523 608 E N 4.625 124.831 120.200 0.010 0.000 2.204 608 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 608 E C 1.089 177.694 176.600 0.008 0.000 0.989 608 E CA 1.243 57.647 56.400 0.007 0.000 0.824 608 E CB -0.218 29.485 29.700 0.006 0.000 0.756 608 E HN 0.708 nan 8.360 nan 0.000 0.477 609 N N 0.644 119.350 118.700 0.010 0.000 2.166 609 N HA -0.081 4.658 4.740 -0.000 0.000 0.186 609 N C 1.872 177.386 175.510 0.007 0.000 1.019 609 N CA 1.118 54.176 53.050 0.014 0.000 0.856 609 N CB -0.065 38.431 38.487 0.014 0.000 0.993 609 N HN 0.211 nan 8.380 nan 0.000 0.426 610 I N 1.042 121.614 120.570 0.003 0.000 2.406 610 I HA -0.208 3.962 4.170 -0.000 0.000 0.249 610 I C 2.123 178.227 176.117 -0.021 0.000 1.122 610 I CA 0.912 62.210 61.300 -0.003 0.000 1.431 610 I CB -0.181 37.826 38.000 0.012 0.000 1.087 610 I HN 0.177 nan 8.210 nan 0.000 0.424 611 Q N 0.378 120.169 119.800 -0.015 0.000 2.124 611 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 611 Q C 2.301 178.281 176.000 -0.034 0.000 0.977 611 Q CA 1.438 57.223 55.803 -0.030 0.000 0.850 611 Q CB -0.238 28.489 28.738 -0.019 0.000 0.901 611 Q HN 0.413 nan 8.270 nan 0.000 0.429 612 R N 0.745 121.242 120.500 -0.005 0.000 2.070 612 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 612 R C 2.288 178.547 176.300 -0.069 0.000 1.137 612 R CA 1.833 57.959 56.100 0.042 0.000 0.945 612 R CB -0.241 30.105 30.300 0.077 0.000 0.845 612 R HN 0.295 nan 8.270 nan 0.000 0.430 613 V N -1.527 118.315 119.914 -0.121 0.000 2.515 613 V HA 0.010 4.130 4.120 -0.000 0.000 0.250 613 V C 2.313 178.173 176.094 -0.390 0.000 1.058 613 V CA 1.504 63.645 62.300 -0.264 0.000 1.064 613 V CB -0.977 30.775 31.823 -0.117 0.000 0.675 613 V HN 0.390 nan 8.190 nan 0.000 0.461 614 A N 0.915 123.581 122.820 -0.255 0.000 1.873 614 A HA 0.147 4.466 4.320 -0.000 0.000 0.215 614 A C 2.489 179.881 177.584 -0.320 0.000 1.186 614 A CA 2.110 53.989 52.037 -0.264 0.000 0.616 614 A CB -1.046 17.891 19.000 -0.105 0.000 0.823 614 A HN 0.844 nan 8.150 nan 0.000 0.442 615 A N -0.396 122.276 122.820 -0.246 0.000 1.902 615 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 615 A C 2.401 179.734 177.584 -0.419 0.000 1.181 615 A CA 1.948 53.866 52.037 -0.200 0.000 0.623 615 A CB -1.392 17.594 19.000 -0.024 0.000 0.818 615 A HN 0.705 nan 8.150 nan 0.000 0.443 616 G N -0.829 107.461 108.800 -0.850 0.000 2.421 616 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 616 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 616 G C 1.638 175.920 174.900 -1.030 0.000 1.171 616 G CA 1.239 45.342 45.100 -1.661 0.000 0.775 616 G HN 0.559 nan 8.290 nan 0.000 0.543 617 V N 0.626 120.048 119.914 -0.820 0.000 2.515 617 V HA -0.011 4.109 4.120 -0.000 0.000 0.250 617 V C 2.810 178.678 176.094 -0.377 0.000 1.058 617 V CA 1.518 63.521 62.300 -0.495 0.000 1.064 617 V CB -0.210 31.160 31.823 -0.756 0.000 0.675 617 V HN 0.403 nan 8.190 nan 0.000 0.461 618 L N -0.416 120.587 121.223 -0.367 0.000 2.141 618 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 618 L C 2.775 179.575 176.870 -0.118 0.000 1.094 618 L CA 1.628 56.362 54.840 -0.177 0.000 0.763 618 L CB -0.801 41.185 42.059 -0.122 0.000 0.908 618 L HN 0.606 nan 8.230 nan 0.000 0.437 619 C N 0.290 119.495 119.300 -0.159 0.000 2.429 619 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 619 C C 2.752 177.721 174.990 -0.035 0.000 1.262 619 C CA 0.916 59.893 59.018 -0.069 0.000 1.733 619 C CB -0.512 27.179 27.740 -0.082 0.000 2.010 619 C HN 0.486 nan 8.230 nan 0.000 0.483 620 E N 0.763 120.926 120.200 -0.060 0.000 2.047 620 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 620 E C 2.216 178.800 176.600 -0.027 0.000 0.987 620 E CA 1.286 57.668 56.400 -0.030 0.000 0.799 620 E CB -0.619 29.063 29.700 -0.031 0.000 0.752 620 E HN 0.710 nan 8.360 nan 0.000 0.449 621 L N 0.677 121.878 121.223 -0.037 0.000 2.083 621 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 621 L C 2.512 179.382 176.870 0.001 0.000 1.083 621 L CA 0.981 55.815 54.840 -0.010 0.000 0.752 621 L CB -0.535 41.529 42.059 0.009 0.000 0.899 621 L HN 0.047 nan 8.230 nan 0.000 0.433 622 A N 0.416 123.236 122.820 -0.000 0.000 2.076 622 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 622 A C 2.174 179.770 177.584 0.019 0.000 1.160 622 A CA 1.464 53.507 52.037 0.011 0.000 0.653 622 A CB -0.578 18.432 19.000 0.016 0.000 0.801 622 A HN 0.679 nan 8.150 nan 0.000 0.455 623 Q N -1.068 118.745 119.800 0.022 0.000 2.541 623 Q HA 0.092 4.432 4.340 -0.000 0.000 0.215 623 Q C 0.271 176.279 176.000 0.014 0.000 0.977 623 Q CA 0.761 56.581 55.803 0.029 0.000 0.934 623 Q CB -0.923 27.832 28.738 0.030 0.000 0.988 623 Q HN 0.603 nan 8.270 nan 0.000 0.521 624 D N 0.221 120.626 120.400 0.007 0.000 2.256 624 D HA 0.444 5.083 4.640 -0.000 0.000 0.240 624 D C 1.026 177.327 176.300 0.001 0.000 1.062 624 D CA 0.102 54.104 54.000 0.003 0.000 0.832 624 D CB 1.171 41.973 40.800 0.003 0.000 1.135 624 D HN 0.264 nan 8.370 nan 0.000 0.484 625 K N 0.536 120.935 120.400 -0.003 0.000 2.015 625 K HA -0.252 4.068 4.320 -0.000 0.000 0.216 625 K C 1.822 178.418 176.600 -0.006 0.000 1.052 625 K CA 2.381 58.663 56.287 -0.009 0.000 0.937 625 K CB -1.145 31.349 32.500 -0.010 0.000 0.719 625 K HN 0.770 nan 8.250 nan 0.000 0.446 626 E N -0.366 119.834 120.200 -0.001 0.000 2.110 626 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 626 E C 2.481 179.085 176.600 0.006 0.000 0.988 626 E CA 0.869 57.270 56.400 0.002 0.000 0.804 626 E CB -0.243 29.460 29.700 0.005 0.000 0.745 626 E HN 0.628 nan 8.360 nan 0.000 0.458 627 A N 1.517 124.342 122.820 0.009 0.000 1.873 627 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 627 A C 2.417 180.008 177.584 0.012 0.000 1.186 627 A CA 1.553 53.599 52.037 0.016 0.000 0.616 627 A CB -0.665 18.347 19.000 0.020 0.000 0.823 627 A HN 0.290 nan 8.150 nan 0.000 0.442 628 A N -0.046 122.776 122.820 0.004 0.000 1.908 628 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 628 A C 1.929 179.510 177.584 -0.005 0.000 1.181 628 A CA 1.784 53.819 52.037 -0.003 0.000 0.627 628 A CB -0.586 18.405 19.000 -0.015 0.000 0.818 628 A HN 0.648 nan 8.150 nan 0.000 0.445 629 E N -0.404 119.792 120.200 -0.007 0.000 2.106 629 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 629 E C 2.321 178.921 176.600 0.001 0.000 0.984 629 E CA 0.822 57.218 56.400 -0.007 0.000 0.806 629 E CB -0.278 29.417 29.700 -0.008 0.000 0.750 629 E HN 0.624 nan 8.360 nan 0.000 0.458 630 A N 1.325 124.149 122.820 0.006 0.000 1.902 630 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 630 A C 2.173 179.766 177.584 0.015 0.000 1.181 630 A CA 1.029 53.072 52.037 0.011 0.000 0.623 630 A CB -0.571 18.438 19.000 0.014 0.000 0.818 630 A HN 0.134 nan 8.150 nan 0.000 0.443 631 I N -0.697 119.883 120.570 0.017 0.000 2.226 631 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 631 I C 2.571 178.697 176.117 0.015 0.000 1.100 631 I CA 1.789 63.101 61.300 0.021 0.000 1.374 631 I CB -0.329 37.682 38.000 0.018 0.000 1.057 631 I HN 0.536 nan 8.210 nan 0.000 0.413 632 E N 1.330 121.535 120.200 0.008 0.000 2.072 632 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 632 E C 2.292 178.899 176.600 0.012 0.000 0.985 632 E CA 1.235 57.639 56.400 0.006 0.000 0.801 632 E CB -0.025 29.673 29.700 -0.002 0.000 0.750 632 E HN 0.467 nan 8.360 nan 0.000 0.452 633 A N 0.845 123.672 122.820 0.011 0.000 2.024 633 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 633 A C 1.925 179.521 177.584 0.021 0.000 1.164 633 A CA 1.634 53.679 52.037 0.013 0.000 0.643 633 A CB -0.416 18.590 19.000 0.009 0.000 0.806 633 A HN 0.224 nan 8.150 nan 0.000 0.451 634 E N -0.829 119.387 120.200 0.026 0.000 2.511 634 E HA 0.204 4.553 4.350 -0.000 0.000 0.196 634 E C 1.077 177.710 176.600 0.056 0.000 1.066 634 E CA 0.703 57.126 56.400 0.038 0.000 0.871 634 E CB -0.518 29.204 29.700 0.038 0.000 0.863 634 E HN 0.766 nan 8.360 nan 0.000 0.520 635 G N -0.422 108.406 108.800 0.047 0.000 2.182 635 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 635 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 635 G C 0.853 175.795 174.900 0.070 0.000 1.042 635 G CA 0.460 45.597 45.100 0.061 0.000 0.775 635 G HN 0.457 nan 8.290 nan 0.000 0.501 636 A N -0.902 121.940 122.820 0.036 0.000 2.167 636 A HA 0.295 4.614 4.320 -0.000 0.000 0.214 636 A C 2.376 179.952 177.584 -0.014 0.000 1.151 636 A CA 2.273 54.308 52.037 -0.003 0.000 0.735 636 A CB -0.420 18.572 19.000 -0.013 0.000 0.802 636 A HN 0.751 nan 8.150 nan 0.000 0.467 637 T N 0.623 115.182 114.554 0.008 0.000 2.684 637 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 637 T C 2.238 176.944 174.700 0.010 0.000 1.036 637 T CA 1.732 63.837 62.100 0.007 0.000 1.148 637 T CB -0.418 68.458 68.868 0.013 0.000 0.863 637 T HN 0.608 nan 8.240 nan 0.000 0.436 638 A N 2.417 125.255 122.820 0.031 0.000 1.845 638 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 638 A C 0.566 178.163 177.584 0.022 0.000 1.195 638 A CA 1.400 53.465 52.037 0.046 0.000 0.616 638 A CB -1.597 17.458 19.000 0.093 0.000 0.832 638 A HN 0.435 nan 8.150 nan 0.000 0.443 639 P HA -0.137 nan 4.420 nan 0.000 0.217 639 P C 1.579 178.806 177.300 -0.120 0.000 1.150 639 P CA 1.032 64.037 63.100 -0.158 0.000 0.832 639 P CB -0.214 31.120 31.700 -0.609 0.000 0.787 640 L N -0.656 120.509 121.223 -0.097 0.000 2.083 640 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 640 L C 2.628 179.483 176.870 -0.026 0.000 1.083 640 L CA 1.822 56.627 54.840 -0.058 0.000 0.752 640 L CB -1.521 40.515 42.059 -0.038 0.000 0.899 640 L HN 0.021 nan 8.230 nan 0.000 0.433 641 T N -0.718 113.828 114.554 -0.014 0.000 2.821 641 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 641 T C 2.192 176.892 174.700 -0.001 0.000 1.046 641 T CA 1.561 63.661 62.100 0.000 0.000 1.139 641 T CB -0.259 68.614 68.868 0.009 0.000 0.871 641 T HN 0.583 nan 8.240 nan 0.000 0.454 642 E N 1.387 121.585 120.200 -0.003 0.000 2.072 642 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 642 E C 2.060 178.655 176.600 -0.007 0.000 0.985 642 E CA 0.910 57.311 56.400 0.003 0.000 0.801 642 E CB -1.081 28.628 29.700 0.015 0.000 0.750 642 E HN 0.570 nan 8.360 nan 0.000 0.452 643 L N -0.032 121.178 121.223 -0.021 0.000 2.362 643 L HA -0.010 4.330 4.340 -0.000 0.000 0.219 643 L C 2.641 179.501 176.870 -0.018 0.000 1.134 643 L CA 0.412 55.238 54.840 -0.023 0.000 0.807 643 L CB -0.237 41.800 42.059 -0.036 0.000 0.927 643 L HN 0.300 nan 8.230 nan 0.000 0.447 644 L N -0.482 120.734 121.223 -0.013 0.000 2.265 644 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 644 L C 2.940 179.801 176.870 -0.015 0.000 1.117 644 L CA 1.435 56.268 54.840 -0.012 0.000 0.782 644 L CB -0.855 41.202 42.059 -0.005 0.000 0.914 644 L HN 0.560 nan 8.230 nan 0.000 0.441 645 H N -1.372 117.691 119.070 -0.011 0.000 2.553 645 H HA 0.213 4.769 4.556 -0.000 0.000 0.265 645 H C 1.571 176.891 175.328 -0.013 0.000 0.964 645 H CA 0.563 56.605 56.048 -0.010 0.000 1.156 645 H CB -0.070 29.689 29.762 -0.004 0.000 1.411 645 H HN 0.220 nan 8.280 nan 0.000 0.558 646 S N 0.453 116.143 115.700 -0.016 0.000 2.573 646 S HA 0.262 4.731 4.470 -0.000 0.000 0.297 646 S C 2.159 176.746 174.600 -0.022 0.000 1.280 646 S CA 0.585 58.775 58.200 -0.017 0.000 1.061 646 S CB 0.349 63.537 63.200 -0.021 0.000 0.812 646 S HN 0.971 nan 8.310 nan 0.000 0.500 647 R N 3.994 124.483 120.500 -0.017 0.000 2.152 647 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 647 R C 1.077 177.361 176.300 -0.027 0.000 1.117 647 R CA 1.554 57.642 56.100 -0.019 0.000 0.981 647 R CB -1.310 28.983 30.300 -0.012 0.000 0.870 647 R HN 0.814 nan 8.270 nan 0.000 0.451 648 N N 0.969 119.652 118.700 -0.029 0.000 2.405 648 N HA 0.088 4.828 4.740 -0.000 0.000 0.260 648 N C 1.199 176.670 175.510 -0.066 0.000 1.152 648 N CA 0.883 53.910 53.050 -0.039 0.000 0.948 648 N CB 1.313 39.784 38.487 -0.027 0.000 1.111 648 N HN 0.554 nan 8.380 nan 0.000 0.485 649 E N 3.418 123.572 120.200 -0.078 0.000 2.085 649 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 649 E C 1.787 178.275 176.600 -0.187 0.000 0.994 649 E CA 1.611 57.946 56.400 -0.108 0.000 0.801 649 E CB -1.257 28.386 29.700 -0.095 0.000 0.743 649 E HN 0.770 nan 8.360 nan 0.000 0.453 650 G N 0.327 108.997 108.800 -0.216 0.000 2.446 650 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 650 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 650 G C 1.984 176.598 174.900 -0.476 0.000 1.168 650 G CA 1.656 46.498 45.100 -0.430 0.000 0.771 650 G HN 0.490 nan 8.290 nan 0.000 0.551 651 V N 1.590 121.408 119.914 -0.161 0.000 2.332 651 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 651 V C 3.334 179.393 176.094 -0.060 0.000 1.055 651 V CA 2.115 64.394 62.300 -0.036 0.000 1.038 651 V CB -0.954 30.862 31.823 -0.012 0.000 0.651 651 V HN 0.498 nan 8.190 nan 0.000 0.450 652 A N -0.232 122.532 122.820 -0.093 0.000 1.877 652 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 652 A C 2.409 179.942 177.584 -0.084 0.000 1.186 652 A CA 2.525 54.519 52.037 -0.072 0.000 0.620 652 A CB -1.005 17.954 19.000 -0.068 0.000 0.822 652 A HN 0.508 nan 8.150 nan 0.000 0.443 653 T N -0.925 113.528 114.554 -0.168 0.000 2.708 653 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 653 T C 1.783 176.439 174.700 -0.074 0.000 1.037 653 T CA 1.749 63.748 62.100 -0.168 0.000 1.146 653 T CB -0.470 68.232 68.868 -0.277 0.000 0.865 653 T HN 0.502 nan 8.240 nan 0.000 0.435 654 Y N 1.720 121.996 120.300 -0.040 0.000 2.181 654 Y HA 0.028 4.578 4.550 -0.000 0.000 0.288 654 Y C 2.785 178.658 175.900 -0.046 0.000 1.146 654 Y CA 0.056 58.124 58.100 -0.052 0.000 1.164 654 Y CB -1.411 36.990 38.460 -0.098 0.000 0.982 654 Y HN 0.203 nan 8.280 nan 0.000 0.515 655 A N 0.229 123.112 122.820 0.106 0.000 1.865 655 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 655 A C 2.549 180.161 177.584 0.047 0.000 1.191 655 A CA 2.388 54.453 52.037 0.046 0.000 0.623 655 A CB -1.331 17.676 19.000 0.012 0.000 0.826 655 A HN 0.403 nan 8.150 nan 0.000 0.444 656 A N -0.289 122.554 122.820 0.039 0.000 1.902 656 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 656 A C 2.528 180.167 177.584 0.091 0.000 1.181 656 A CA 2.292 54.358 52.037 0.049 0.000 0.623 656 A CB -1.092 17.917 19.000 0.014 0.000 0.818 656 A HN 1.139 nan 8.150 nan 0.000 0.443 657 A N -0.473 122.399 122.820 0.087 0.000 1.883 657 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 657 A C 2.239 179.916 177.584 0.154 0.000 1.186 657 A CA 1.997 54.105 52.037 0.119 0.000 0.624 657 A CB -1.064 18.008 19.000 0.120 0.000 0.822 657 A HN 0.463 nan 8.150 nan 0.000 0.444 658 V N 0.079 120.054 119.914 0.102 0.000 2.343 658 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 658 V C 2.562 178.698 176.094 0.070 0.000 1.051 658 V CA 1.912 64.252 62.300 0.068 0.000 1.036 658 V CB -0.857 30.981 31.823 0.025 0.000 0.654 658 V HN 0.553 nan 8.190 nan 0.000 0.451 659 L N -1.073 120.197 121.223 0.078 0.000 2.017 659 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 659 L C 2.393 179.314 176.870 0.086 0.000 1.073 659 L CA 2.058 56.938 54.840 0.066 0.000 0.745 659 L CB -0.614 41.483 42.059 0.064 0.000 0.894 659 L HN 0.377 nan 8.230 nan 0.000 0.432 660 F N 0.579 120.530 119.950 0.002 0.000 2.134 660 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 660 F C 2.734 178.536 175.800 0.002 0.000 1.097 660 F CA 1.346 59.347 58.000 0.002 0.000 1.264 660 F CB -0.114 38.888 39.000 0.004 0.000 1.001 660 F HN -0.102 nan 8.300 nan 0.000 0.479 661 R N 0.315 120.846 120.500 0.050 0.000 2.091 661 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 661 R C 2.212 178.438 176.300 -0.123 0.000 1.136 661 R CA 1.937 58.008 56.100 -0.049 0.000 0.959 661 R CB -1.058 29.279 30.300 0.061 0.000 0.856 661 R HN 0.431 nan 8.270 nan 0.000 0.437 662 M N 0.457 120.011 119.600 -0.076 0.000 2.099 662 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 662 M C 2.379 178.615 176.300 -0.107 0.000 1.067 662 M CA 2.054 57.312 55.300 -0.069 0.000 1.124 662 M CB -0.459 32.122 32.600 -0.032 0.000 1.353 662 M HN 0.155 nan 8.290 nan 0.000 0.410 663 S N -0.326 115.290 115.700 -0.140 0.000 2.399 663 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 663 S C 0.947 175.422 174.600 -0.208 0.000 1.022 663 S CA 0.657 58.767 58.200 -0.151 0.000 0.983 663 S CB -0.427 62.690 63.200 -0.138 0.000 0.803 663 S HN 0.344 nan 8.310 nan 0.000 0.480 664 E N 0.000 120.002 120.200 -0.329 0.000 2.725 664 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 664 E CA 0.000 56.212 56.400 -0.313 0.000 0.976 664 E CB 0.000 29.411 29.700 -0.482 0.000 0.812 664 E HN 0.000 nan 8.360 nan 0.000 0.440