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 1jpp_1_B DATA FIRST_RESID 150 DATA SEQUENCE TRAIPELTKL LNDEDQVVVN KAAVMVHQLS KKEASRHAIM RSPQMVSAIV DATA SEQUENCE RTMQNTNDVE TARCTAGTLH NLSHHREGLL AIFKSGGIPA LVKMLGSPVD DATA SEQUENCE SVLFYAITTL HNLLLHQEGA KMAVRLAGGL QKMVALLNKT NVKFLAITTD DATA SEQUENCE CLQILAYGNQ ESKLIILASG GPQALVNIMR TYTYEKLLWT TSRVLKVLSV DATA SEQUENCE CSSNKPAIVE AGGMQALGLH LTDPSQRLVQ NCLWTLRNLS DAATKQEGME DATA SEQUENCE GLLGTLVQLL GSDDINVVTC AAGILSNLTC NNYKNKMMVC QVGGIEALVR DATA SEQUENCE TVLRAGDRED ITEPAICALR HLTSRHQEAE MAQNAVRLHY GLPVVVKLLH DATA SEQUENCE PPSHWPLIKA TVGLIRNLAL CPANHAPLRE QGAIPRLVQL LVRAHQXXXX DATA SEQUENCE XXXXXXXXQQ FVEGVRMEEI VEGCTGALHI LARDVHNRIV IRGLNTIPLF DATA SEQUENCE VQLLYSPIEN IQRVAAGVLC ELAQDKEAAE AIEAEGATAP LTELLHSRNE DATA SEQUENCE GVATYAAAVL FRMS 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 150 T HA 0.000 nan 4.350 nan 0.000 0.228 150 T C 0.000 174.707 174.700 0.011 0.000 1.109 150 T CA 0.000 62.109 62.100 0.015 0.000 1.349 150 T CB 0.000 68.877 68.868 0.015 0.000 0.612 151 R N 0.473 120.979 120.500 0.010 0.000 2.369 151 R HA 0.858 5.198 4.340 -0.000 0.000 0.210 151 R C 2.467 178.771 176.300 0.007 0.000 0.881 151 R CA 1.586 57.691 56.100 0.008 0.000 1.031 151 R CB -0.609 29.695 30.300 0.007 0.000 1.184 151 R HN 0.824 nan 8.270 nan 0.000 0.581 152 A N 1.206 124.031 122.820 0.008 0.000 1.874 152 A HA 0.170 4.490 4.320 -0.000 0.000 0.214 152 A C 2.118 179.707 177.584 0.008 0.000 1.189 152 A CA 1.206 53.248 52.037 0.007 0.000 0.615 152 A CB -0.179 18.825 19.000 0.007 0.000 0.830 152 A HN 0.289 nan 8.150 nan 0.000 0.443 153 I N 0.491 121.066 120.570 0.010 0.000 2.113 153 I HA -0.231 3.938 4.170 -0.000 0.000 0.242 153 I C -0.449 175.673 176.117 0.009 0.000 1.057 153 I CA 1.984 63.290 61.300 0.010 0.000 1.314 153 I CB -2.503 35.505 38.000 0.013 0.000 1.022 153 I HN 0.182 nan 8.210 nan 0.000 0.408 154 P HA -0.154 nan 4.420 nan 0.000 0.220 154 P C 1.673 178.976 177.300 0.005 0.000 1.148 154 P CA 1.347 64.451 63.100 0.006 0.000 0.803 154 P CB 0.015 31.719 31.700 0.006 0.000 0.782 155 E N -0.562 119.641 120.200 0.005 0.000 2.122 155 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 155 E C 1.838 178.441 176.600 0.004 0.000 0.977 155 E CA 0.493 56.895 56.400 0.004 0.000 0.820 155 E CB -0.365 29.337 29.700 0.004 0.000 0.770 155 E HN 0.137 nan 8.360 nan 0.000 0.462 156 L N 0.461 121.687 121.223 0.005 0.000 2.072 156 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 156 L C 2.582 179.455 176.870 0.004 0.000 1.079 156 L CA 1.303 56.145 54.840 0.005 0.000 0.752 156 L CB -0.520 41.543 42.059 0.007 0.000 0.906 156 L HN 0.189 nan 8.230 nan 0.000 0.436 157 T N -0.300 114.256 114.554 0.004 0.000 2.635 157 T HA -0.303 4.046 4.350 -0.000 0.000 0.267 157 T C 1.937 176.637 174.700 0.001 0.000 1.040 157 T CA 1.759 63.860 62.100 0.003 0.000 1.156 157 T CB -0.167 68.703 68.868 0.004 0.000 0.863 157 T HN 0.241 nan 8.240 nan 0.000 0.430 158 K N 0.523 120.924 120.400 0.001 0.000 2.057 158 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 158 K C 2.281 178.881 176.600 -0.001 0.000 1.049 158 K CA 1.088 57.375 56.287 0.000 0.000 0.931 158 K CB -0.303 32.197 32.500 0.001 0.000 0.714 158 K HN 0.310 nan 8.250 nan 0.000 0.440 159 L N 0.913 122.136 121.223 -0.000 0.000 2.191 159 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 159 L C 2.105 178.974 176.870 -0.002 0.000 1.103 159 L CA 0.732 55.572 54.840 -0.001 0.000 0.769 159 L CB -0.184 41.875 42.059 0.000 0.000 0.908 159 L HN 0.224 nan 8.230 nan 0.000 0.438 160 L N -0.523 120.699 121.223 -0.002 0.000 2.478 160 L HA -0.052 4.288 4.340 -0.000 0.000 0.223 160 L C 0.562 177.428 176.870 -0.006 0.000 1.140 160 L CA 0.360 55.197 54.840 -0.005 0.000 0.842 160 L CB -0.205 41.852 42.059 -0.005 0.000 0.953 160 L HN 0.318 nan 8.230 nan 0.000 0.452 161 N N 0.257 118.955 118.700 -0.005 0.000 3.025 161 N HA 0.127 4.867 4.740 -0.000 0.000 0.315 161 N C -0.546 174.961 175.510 -0.005 0.000 1.511 161 N CA 0.033 53.079 53.050 -0.005 0.000 1.097 161 N CB 0.573 39.058 38.487 -0.004 0.000 1.395 161 N HN 0.183 nan 8.380 nan 0.000 0.511 162 D N -0.198 120.199 120.400 -0.005 0.000 2.668 162 D HA 0.291 4.930 4.640 -0.000 0.000 0.249 162 D C 0.886 177.183 176.300 -0.006 0.000 1.150 162 D CA -0.312 53.685 54.000 -0.005 0.000 1.090 162 D CB 1.653 42.450 40.800 -0.004 0.000 1.244 162 D HN -0.147 nan 8.370 nan 0.000 0.636 163 E N -0.618 119.579 120.200 -0.005 0.000 2.162 163 E HA 0.002 4.351 4.350 -0.000 0.000 0.193 163 E C -0.305 176.292 176.600 -0.006 0.000 0.953 163 E CA 0.179 56.576 56.400 -0.006 0.000 0.849 163 E CB 0.170 29.867 29.700 -0.005 0.000 0.810 163 E HN 0.355 nan 8.360 nan 0.000 0.470 164 D N 1.544 121.941 120.400 -0.006 0.000 2.339 164 D HA -0.020 4.620 4.640 -0.000 0.000 0.256 164 D C 0.211 176.507 176.300 -0.007 0.000 1.214 164 D CA 0.062 54.058 54.000 -0.006 0.000 0.877 164 D CB 0.738 41.535 40.800 -0.005 0.000 1.111 164 D HN -0.254 nan 8.370 nan 0.000 0.478 165 Q N 3.180 122.975 119.800 -0.008 0.000 2.259 165 Q HA 0.080 4.420 4.340 -0.000 0.000 0.228 165 Q C 0.666 176.660 176.000 -0.009 0.000 0.909 165 Q CA 0.037 55.834 55.803 -0.009 0.000 0.948 165 Q CB 0.428 29.159 28.738 -0.011 0.000 1.041 165 Q HN 0.409 nan 8.270 nan 0.000 0.445 166 V N -1.586 118.323 119.914 -0.007 0.000 3.307 166 V HA -0.049 4.071 4.120 -0.000 0.000 0.244 166 V C 1.906 177.996 176.094 -0.006 0.000 1.196 166 V CA 0.488 62.784 62.300 -0.007 0.000 1.132 166 V CB 0.599 32.419 31.823 -0.005 0.000 0.875 166 V HN 0.105 nan 8.190 nan 0.000 0.468 167 V N 1.134 121.045 119.914 -0.005 0.000 2.379 167 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 167 V C 2.587 178.678 176.094 -0.005 0.000 1.044 167 V CA 2.103 64.400 62.300 -0.004 0.000 1.036 167 V CB -0.629 31.192 31.823 -0.004 0.000 0.664 167 V HN 0.518 nan 8.190 nan 0.000 0.453 168 V N -0.489 119.421 119.914 -0.007 0.000 2.548 168 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 168 V C 2.011 178.098 176.094 -0.011 0.000 1.055 168 V CA 2.272 64.566 62.300 -0.009 0.000 1.065 168 V CB -1.153 30.663 31.823 -0.011 0.000 0.681 168 V HN 0.482 nan 8.190 nan 0.000 0.462 169 N N 1.505 120.198 118.700 -0.012 0.000 2.216 169 N HA 0.018 4.757 4.740 -0.000 0.000 0.183 169 N C 1.919 177.423 175.510 -0.009 0.000 1.017 169 N CA 2.091 55.133 53.050 -0.014 0.000 0.861 169 N CB -0.493 37.985 38.487 -0.015 0.000 0.986 169 N HN 0.687 nan 8.380 nan 0.000 0.428 170 K N 0.383 120.780 120.400 -0.005 0.000 2.365 170 K HA 0.396 4.716 4.320 -0.000 0.000 0.197 170 K C 1.915 178.517 176.600 0.004 0.000 1.042 170 K CA 0.958 57.245 56.287 0.000 0.000 0.987 170 K CB -0.596 31.904 32.500 0.000 0.000 0.779 170 K HN 0.286 nan 8.250 nan 0.000 0.484 171 A N 0.732 123.553 122.820 0.002 0.000 1.975 171 A HA 0.459 4.779 4.320 -0.000 0.000 0.215 171 A C 2.713 180.302 177.584 0.009 0.000 1.170 171 A CA 1.341 53.381 52.037 0.005 0.000 0.656 171 A CB -0.435 18.566 19.000 0.002 0.000 0.821 171 A HN 0.688 nan 8.150 nan 0.000 0.449 172 A N -0.108 122.714 122.820 0.003 0.000 1.877 172 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 172 A C 2.140 179.743 177.584 0.032 0.000 1.186 172 A CA 1.810 53.849 52.037 0.004 0.000 0.620 172 A CB -0.982 18.005 19.000 -0.022 0.000 0.822 172 A HN 0.427 nan 8.150 nan 0.000 0.443 173 V N -0.082 119.850 119.914 0.030 0.000 2.469 173 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 173 V C 2.577 178.716 176.094 0.075 0.000 1.064 173 V CA 2.211 64.550 62.300 0.065 0.000 1.066 173 V CB -0.838 31.009 31.823 0.039 0.000 0.667 173 V HN 0.552 nan 8.190 nan 0.000 0.461 174 M N -0.552 119.073 119.600 0.042 0.000 2.098 174 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 174 M C 2.300 178.617 176.300 0.029 0.000 1.072 174 M CA 1.590 56.906 55.300 0.026 0.000 1.133 174 M CB -0.470 32.139 32.600 0.015 0.000 1.344 174 M HN 0.230 nan 8.290 nan 0.000 0.414 175 V N -0.114 119.822 119.914 0.037 0.000 2.380 175 V HA -0.315 3.805 4.120 -0.000 0.000 0.251 175 V C 2.318 178.450 176.094 0.064 0.000 1.063 175 V CA 2.339 64.662 62.300 0.037 0.000 1.055 175 V CB -1.182 30.661 31.823 0.033 0.000 0.657 175 V HN 0.501 nan 8.190 nan 0.000 0.455 176 H N 0.387 119.445 119.070 -0.021 0.000 2.319 176 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 176 H C 2.318 177.639 175.328 -0.012 0.000 1.092 176 H CA 1.980 58.013 56.048 -0.025 0.000 1.302 176 H CB -0.145 29.595 29.762 -0.038 0.000 1.373 176 H HN 0.306 nan 8.280 nan 0.000 0.497 177 Q N 0.165 119.841 119.800 -0.206 0.000 2.170 177 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 177 Q C 2.739 178.652 176.000 -0.145 0.000 0.976 177 Q CA 0.954 56.610 55.803 -0.244 0.000 0.858 177 Q CB -0.253 28.415 28.738 -0.118 0.000 0.907 177 Q HN 0.528 nan 8.270 nan 0.000 0.433 178 L N 0.880 122.057 121.223 -0.076 0.000 2.046 178 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 178 L C 2.357 179.200 176.870 -0.045 0.000 1.077 178 L CA 1.582 56.396 54.840 -0.044 0.000 0.747 178 L CB -0.710 41.339 42.059 -0.017 0.000 0.896 178 L HN 0.261 nan 8.230 nan 0.000 0.432 179 S N -0.665 115.010 115.700 -0.041 0.000 2.528 179 S HA -0.184 4.285 4.470 -0.000 0.000 0.244 179 S C 1.577 176.162 174.600 -0.026 0.000 0.982 179 S CA 0.933 59.121 58.200 -0.020 0.000 0.953 179 S CB -0.338 62.878 63.200 0.026 0.000 0.754 179 S HN 0.463 nan 8.310 nan 0.000 0.529 180 K N 0.017 120.383 120.400 -0.056 0.000 2.361 180 K HA 0.198 4.518 4.320 -0.000 0.000 0.194 180 K C -0.305 176.279 176.600 -0.027 0.000 1.032 180 K CA 0.173 56.437 56.287 -0.038 0.000 1.048 180 K CB 0.173 32.630 32.500 -0.072 0.000 0.842 180 K HN 0.151 nan 8.250 nan 0.000 0.526 181 K N 1.506 121.887 120.400 -0.033 0.000 2.258 181 K HA 0.068 4.387 4.320 -0.000 0.000 0.284 181 K C 0.385 176.969 176.600 -0.028 0.000 1.051 181 K CA 0.004 56.278 56.287 -0.022 0.000 0.923 181 K CB 1.175 33.664 32.500 -0.017 0.000 1.046 181 K HN -0.060 nan 8.250 nan 0.000 0.474 182 E N 1.474 121.665 120.200 -0.014 0.000 2.187 182 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 182 E C 1.078 177.674 176.600 -0.008 0.000 1.004 182 E CA 2.008 58.399 56.400 -0.015 0.000 0.813 182 E CB -0.035 29.679 29.700 0.023 0.000 0.736 182 E HN 0.657 nan 8.360 nan 0.000 0.468 183 A N -0.527 122.313 122.820 0.033 0.000 2.229 183 A HA 0.178 4.498 4.320 -0.000 0.000 0.211 183 A C 1.993 179.610 177.584 0.056 0.000 1.193 183 A CA 0.196 52.295 52.037 0.104 0.000 0.879 183 A CB 0.197 19.256 19.000 0.099 0.000 0.911 183 A HN 0.113 nan 8.150 nan 0.000 0.492 184 S N 0.384 116.087 115.700 0.004 0.000 2.383 184 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 184 S C 2.056 176.646 174.600 -0.017 0.000 1.026 184 S CA 1.220 59.420 58.200 0.000 0.000 0.981 184 S CB -0.265 62.928 63.200 -0.011 0.000 0.818 184 S HN 0.605 nan 8.310 nan 0.000 0.472 185 R N 0.634 121.087 120.500 -0.079 0.000 2.080 185 R HA -0.098 4.242 4.340 -0.000 0.000 0.236 185 R C 2.176 178.425 176.300 -0.084 0.000 1.137 185 R CA 1.519 57.550 56.100 -0.116 0.000 0.943 185 R CB -0.662 29.513 30.300 -0.208 0.000 0.846 185 R HN 0.483 nan 8.270 nan 0.000 0.431 186 H N 0.189 119.269 119.070 0.017 0.000 2.426 186 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 186 H C 1.979 177.314 175.328 0.013 0.000 1.107 186 H CA 1.604 57.661 56.048 0.015 0.000 1.298 186 H CB -0.208 29.562 29.762 0.012 0.000 1.377 186 H HN 0.342 nan 8.280 nan 0.000 0.519 187 A N 0.505 123.396 122.820 0.120 0.000 1.970 187 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 187 A C 2.633 180.245 177.584 0.047 0.000 1.170 187 A CA 0.510 52.590 52.037 0.071 0.000 0.645 187 A CB -0.396 18.636 19.000 0.052 0.000 0.816 187 A HN 0.267 nan 8.150 nan 0.000 0.447 188 I N -0.799 119.791 120.570 0.034 0.000 2.353 188 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 188 I C 2.621 178.754 176.117 0.028 0.000 1.119 188 I CA 0.986 62.300 61.300 0.023 0.000 1.417 188 I CB -0.173 37.833 38.000 0.010 0.000 1.078 188 I HN 0.367 nan 8.210 nan 0.000 0.421 189 M N 0.526 120.147 119.600 0.036 0.000 2.066 189 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 189 M C 1.816 178.143 176.300 0.046 0.000 1.074 189 M CA 1.731 57.057 55.300 0.043 0.000 1.114 189 M CB -0.573 32.065 32.600 0.062 0.000 1.306 189 M HN 0.170 nan 8.290 nan 0.000 0.411 190 R N 0.126 120.658 120.500 0.054 0.000 2.500 190 R HA 0.039 4.378 4.340 -0.000 0.000 0.212 190 R C 0.119 176.438 176.300 0.033 0.000 1.330 190 R CA 0.387 56.512 56.100 0.043 0.000 1.262 190 R CB -0.717 29.609 30.300 0.043 0.000 0.998 190 R HN 0.041 nan 8.270 nan 0.000 0.484 191 S N 1.160 116.878 115.700 0.030 0.000 2.328 191 S HA 0.319 4.789 4.470 -0.000 0.000 0.204 191 S C -1.914 172.698 174.600 0.020 0.000 1.475 191 S CA -1.848 56.365 58.200 0.023 0.000 1.148 191 S CB 1.220 64.432 63.200 0.021 0.000 1.077 191 S HN 0.042 nan 8.310 nan 0.000 0.479 192 P HA -0.149 nan 4.420 nan 0.000 0.223 192 P C 0.894 178.200 177.300 0.011 0.000 1.140 192 P CA 1.212 64.323 63.100 0.017 0.000 0.783 192 P CB 0.196 31.906 31.700 0.017 0.000 0.759 193 Q N -2.159 117.647 119.800 0.011 0.000 2.240 193 Q HA 0.023 4.363 4.340 -0.000 0.000 0.194 193 Q C 2.074 178.078 176.000 0.006 0.000 0.982 193 Q CA 0.571 56.377 55.803 0.007 0.000 0.842 193 Q CB -0.751 27.991 28.738 0.006 0.000 0.941 193 Q HN 0.049 nan 8.270 nan 0.000 0.516 194 M N 1.341 120.946 119.600 0.008 0.000 2.190 194 M HA -0.244 4.236 4.480 -0.000 0.000 0.252 194 M C 1.963 178.267 176.300 0.007 0.000 1.076 194 M CA 1.718 57.023 55.300 0.008 0.000 1.079 194 M CB -0.577 32.030 32.600 0.012 0.000 1.303 194 M HN 0.081 nan 8.290 nan 0.000 0.412 195 V N -0.434 119.485 119.914 0.010 0.000 2.332 195 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 195 V C 2.266 178.361 176.094 0.003 0.000 1.055 195 V CA 2.094 64.400 62.300 0.009 0.000 1.038 195 V CB -1.174 30.659 31.823 0.016 0.000 0.651 195 V HN 0.619 nan 8.190 nan 0.000 0.450 196 S N 0.727 116.428 115.700 0.000 0.000 2.348 196 S HA -0.162 4.308 4.470 -0.000 0.000 0.221 196 S C 2.287 176.882 174.600 -0.008 0.000 1.033 196 S CA 1.371 59.568 58.200 -0.006 0.000 1.010 196 S CB -0.694 62.502 63.200 -0.007 0.000 0.891 196 S HN 0.643 nan 8.310 nan 0.000 0.442 197 A N 1.709 124.526 122.820 -0.006 0.000 1.948 197 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 197 A C 2.099 179.677 177.584 -0.010 0.000 1.177 197 A CA 1.409 53.442 52.037 -0.007 0.000 0.636 197 A CB -0.910 18.087 19.000 -0.004 0.000 0.815 197 A HN 0.502 nan 8.150 nan 0.000 0.449 198 I N -0.432 120.133 120.570 -0.008 0.000 2.286 198 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 198 I C 2.269 178.376 176.117 -0.017 0.000 1.115 198 I CA 1.227 62.520 61.300 -0.012 0.000 1.392 198 I CB -0.370 37.626 38.000 -0.006 0.000 1.065 198 I HN 0.182 nan 8.210 nan 0.000 0.418 199 V N 1.707 121.612 119.914 -0.015 0.000 2.323 199 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 199 V C 2.508 178.590 176.094 -0.020 0.000 1.041 199 V CA 2.045 64.334 62.300 -0.017 0.000 1.025 199 V CB -0.861 30.952 31.823 -0.016 0.000 0.656 199 V HN 0.514 nan 8.190 nan 0.000 0.451 200 R N 0.342 120.831 120.500 -0.019 0.000 2.237 200 R HA -0.086 4.254 4.340 -0.000 0.000 0.219 200 R C 1.908 178.196 176.300 -0.020 0.000 1.080 200 R CA 1.618 57.707 56.100 -0.019 0.000 0.995 200 R CB -1.015 29.275 30.300 -0.017 0.000 0.875 200 R HN 0.438 nan 8.270 nan 0.000 0.462 201 T N 1.642 116.183 114.554 -0.022 0.000 2.770 201 T HA -0.046 4.304 4.350 -0.000 0.000 0.258 201 T C 1.723 176.404 174.700 -0.031 0.000 1.039 201 T CA 1.216 63.301 62.100 -0.025 0.000 1.143 201 T CB -0.129 68.724 68.868 -0.025 0.000 0.866 201 T HN 0.252 nan 8.240 nan 0.000 0.428 202 M N 1.103 120.682 119.600 -0.036 0.000 2.267 202 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 202 M C 2.331 178.611 176.300 -0.034 0.000 1.063 202 M CA 1.613 56.887 55.300 -0.043 0.000 1.090 202 M CB -0.160 32.412 32.600 -0.047 0.000 1.392 202 M HN 0.254 nan 8.290 nan 0.000 0.422 203 Q N -0.019 119.765 119.800 -0.026 0.000 2.163 203 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 203 Q C 0.604 176.591 176.000 -0.021 0.000 0.954 203 Q CA 1.671 57.461 55.803 -0.022 0.000 0.851 203 Q CB 0.219 28.946 28.738 -0.019 0.000 0.928 203 Q HN 0.604 nan 8.270 nan 0.000 0.459 204 N N -0.529 118.158 118.700 -0.021 0.000 2.220 204 N HA 0.042 4.782 4.740 -0.000 0.000 0.195 204 N C -0.192 175.305 175.510 -0.021 0.000 1.123 204 N CA 0.132 53.171 53.050 -0.019 0.000 0.874 204 N CB 0.828 39.305 38.487 -0.017 0.000 0.995 204 N HN 0.027 nan 8.380 nan 0.000 0.498 205 T N -0.532 114.007 114.554 -0.025 0.000 2.734 205 T HA 0.007 4.356 4.350 -0.000 0.000 0.314 205 T C 0.858 175.543 174.700 -0.025 0.000 1.057 205 T CA 0.324 62.408 62.100 -0.026 0.000 1.047 205 T CB 0.357 69.205 68.868 -0.033 0.000 0.991 205 T HN 0.122 nan 8.240 nan 0.000 0.540 206 N N 0.410 119.096 118.700 -0.025 0.000 2.113 206 N HA 0.064 4.804 4.740 -0.000 0.000 0.223 206 N C -0.556 174.939 175.510 -0.025 0.000 1.310 206 N CA -0.162 52.874 53.050 -0.023 0.000 0.896 206 N CB 0.454 38.930 38.487 -0.019 0.000 1.097 206 N HN 0.598 nan 8.380 nan 0.000 0.507 207 D N -0.042 120.341 120.400 -0.028 0.000 2.312 207 D HA 0.176 4.816 4.640 -0.000 0.000 0.248 207 D C 1.368 177.646 176.300 -0.037 0.000 1.086 207 D CA -0.324 53.658 54.000 -0.029 0.000 0.948 207 D CB 2.228 43.012 40.800 -0.028 0.000 1.162 207 D HN -0.240 nan 8.370 nan 0.000 0.446 208 V N 2.210 122.102 119.914 -0.037 0.000 2.256 208 V HA -0.106 4.014 4.120 -0.000 0.000 0.240 208 V C 2.131 178.192 176.094 -0.054 0.000 1.036 208 V CA 1.290 63.563 62.300 -0.044 0.000 1.008 208 V CB -0.520 31.281 31.823 -0.038 0.000 0.648 208 V HN 0.620 nan 8.190 nan 0.000 0.453 209 E N -0.078 120.093 120.200 -0.049 0.000 2.209 209 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 209 E C 2.183 178.734 176.600 -0.082 0.000 0.993 209 E CA 1.700 58.064 56.400 -0.061 0.000 0.819 209 E CB -0.225 29.451 29.700 -0.041 0.000 0.745 209 E HN 0.571 nan 8.360 nan 0.000 0.477 210 T N 0.749 115.262 114.554 -0.067 0.000 2.833 210 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 210 T C 1.907 176.548 174.700 -0.098 0.000 1.054 210 T CA 1.152 63.208 62.100 -0.072 0.000 1.135 210 T CB -0.041 68.797 68.868 -0.050 0.000 0.869 210 T HN 0.242 nan 8.240 nan 0.000 0.466 211 A N 1.548 124.312 122.820 -0.094 0.000 1.874 211 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 211 A C 2.249 179.736 177.584 -0.162 0.000 1.189 211 A CA 0.829 52.802 52.037 -0.106 0.000 0.615 211 A CB -0.443 18.509 19.000 -0.079 0.000 0.830 211 A HN 0.249 nan 8.150 nan 0.000 0.443 212 R N -0.639 119.767 120.500 -0.157 0.000 2.341 212 R HA -0.087 4.253 4.340 -0.000 0.000 0.213 212 R C 1.190 177.273 176.300 -0.363 0.000 1.082 212 R CA 1.247 57.221 56.100 -0.210 0.000 1.017 212 R CB -0.469 29.763 30.300 -0.113 0.000 0.860 212 R HN 0.596 nan 8.270 nan 0.000 0.473 213 C N -1.573 117.522 119.300 -0.342 0.000 2.820 213 C HA 0.088 4.548 4.460 -0.000 0.000 0.323 213 C C 2.500 177.235 174.990 -0.426 0.000 1.279 213 C CA 0.718 59.434 59.018 -0.504 0.000 1.790 213 C CB 0.182 27.749 27.740 -0.287 0.000 2.328 213 C HN 0.614 nan 8.230 nan 0.000 0.579 214 T N -0.667 113.732 114.554 -0.259 0.000 2.978 214 T HA 0.091 4.441 4.350 -0.000 0.000 0.262 214 T C 1.895 176.485 174.700 -0.184 0.000 1.063 214 T CA 1.293 63.292 62.100 -0.168 0.000 1.140 214 T CB -0.273 68.532 68.868 -0.105 0.000 0.886 214 T HN 0.372 nan 8.240 nan 0.000 0.470 215 A N 1.929 124.595 122.820 -0.257 0.000 1.898 215 A HA 0.313 4.633 4.320 -0.000 0.000 0.216 215 A C 2.681 180.048 177.584 -0.362 0.000 1.181 215 A CA 1.457 53.342 52.037 -0.253 0.000 0.620 215 A CB -1.555 17.283 19.000 -0.271 0.000 0.819 215 A HN 0.570 nan 8.150 nan 0.000 0.442 216 G N -1.017 107.386 108.800 -0.662 0.000 2.422 216 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 216 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 216 G C 1.541 176.393 174.900 -0.080 0.000 1.146 216 G CA 1.652 46.391 45.100 -0.603 0.000 0.769 216 G HN 0.430 nan 8.290 nan 0.000 0.547 217 T N 1.445 115.965 114.554 -0.057 0.000 2.708 217 T HA -0.048 4.301 4.350 -0.000 0.000 0.266 217 T C 2.409 177.137 174.700 0.047 0.000 1.037 217 T CA 0.976 63.122 62.100 0.076 0.000 1.146 217 T CB -0.210 68.688 68.868 0.049 0.000 0.865 217 T HN 0.170 nan 8.240 nan 0.000 0.435 218 L N 0.366 121.598 121.223 0.014 0.000 2.093 218 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 218 L C 2.705 179.591 176.870 0.027 0.000 1.085 218 L CA 1.259 56.109 54.840 0.018 0.000 0.755 218 L CB -0.744 41.322 42.059 0.012 0.000 0.904 218 L HN 0.409 nan 8.230 nan 0.000 0.435 219 H N 1.145 120.196 119.070 -0.031 0.000 2.387 219 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 219 H C 1.672 176.886 175.328 -0.190 0.000 1.099 219 H CA 2.002 58.032 56.048 -0.030 0.000 1.315 219 H CB -0.030 29.820 29.762 0.147 0.000 1.380 219 H HN 0.480 nan 8.280 nan 0.000 0.513 220 N N -0.010 118.740 118.700 0.083 0.000 2.354 220 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 220 N C 1.819 177.271 175.510 -0.097 0.000 1.021 220 N CA 0.105 53.160 53.050 0.009 0.000 0.887 220 N CB 0.337 38.909 38.487 0.143 0.000 0.974 220 N HN 0.227 nan 8.380 nan 0.000 0.437 221 L N 0.889 122.067 121.223 -0.074 0.000 2.395 221 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 221 L C 2.306 179.125 176.870 -0.085 0.000 1.130 221 L CA 1.039 55.847 54.840 -0.054 0.000 0.826 221 L CB -0.840 41.208 42.059 -0.019 0.000 0.941 221 L HN 0.254 nan 8.230 nan 0.000 0.451 222 S N -2.512 113.075 115.700 -0.188 0.000 2.527 222 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 222 S C 1.470 175.985 174.600 -0.141 0.000 0.985 222 S CA 0.176 58.271 58.200 -0.176 0.000 0.921 222 S CB -0.568 62.495 63.200 -0.228 0.000 0.772 222 S HN 0.530 nan 8.310 nan 0.000 0.529 223 H N 0.479 119.496 119.070 -0.087 0.000 2.556 223 H HA 0.201 4.757 4.556 -0.000 0.000 0.268 223 H C 1.051 176.332 175.328 -0.078 0.000 0.996 223 H CA 0.595 56.590 56.048 -0.088 0.000 1.157 223 H CB -0.146 29.581 29.762 -0.059 0.000 1.355 223 H HN 0.811 nan 8.280 nan 0.000 0.597 224 H N -1.412 117.679 119.070 0.036 0.000 2.717 224 H HA 0.622 5.177 4.556 -0.000 0.000 0.366 224 H C 1.205 176.533 175.328 0.000 0.000 1.132 224 H CA -0.336 55.722 56.048 0.018 0.000 1.180 224 H CB 0.568 30.353 29.762 0.038 0.000 1.678 224 H HN 0.338 nan 8.280 nan 0.000 0.537 225 R N 0.827 121.325 120.500 -0.003 0.000 2.127 225 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 225 R C 1.740 178.050 176.300 0.018 0.000 1.134 225 R CA 2.415 58.515 56.100 -0.000 0.000 0.975 225 R CB -0.866 29.436 30.300 0.003 0.000 0.865 225 R HN 0.805 nan 8.270 nan 0.000 0.447 226 E N -0.331 119.891 120.200 0.035 0.000 2.152 226 E HA 0.041 4.391 4.350 -0.000 0.000 0.192 226 E C 2.301 178.928 176.600 0.045 0.000 0.983 226 E CA 1.063 57.491 56.400 0.047 0.000 0.818 226 E CB -0.312 29.430 29.700 0.071 0.000 0.758 226 E HN 0.591 nan 8.360 nan 0.000 0.467 227 G N 0.320 109.142 108.800 0.036 0.000 2.511 227 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 227 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 227 G C 1.439 176.358 174.900 0.030 0.000 1.133 227 G CA 0.215 45.331 45.100 0.027 0.000 0.792 227 G HN 0.124 nan 8.290 nan 0.000 0.539 228 L N 0.012 121.251 121.223 0.027 0.000 2.044 228 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 228 L C 2.637 179.555 176.870 0.080 0.000 1.075 228 L CA 0.273 55.137 54.840 0.040 0.000 0.747 228 L CB -0.412 41.657 42.059 0.017 0.000 0.903 228 L HN 0.120 nan 8.230 nan 0.000 0.435 229 L N 0.409 121.668 121.223 0.060 0.000 2.127 229 L HA -0.201 4.138 4.340 -0.000 0.000 0.211 229 L C 2.542 179.501 176.870 0.148 0.000 1.089 229 L CA 2.109 57.004 54.840 0.091 0.000 0.757 229 L CB -0.828 41.262 42.059 0.051 0.000 0.899 229 L HN 0.234 nan 8.230 nan 0.000 0.434 230 A N -0.025 122.857 122.820 0.102 0.000 1.874 230 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 230 A C 2.180 179.818 177.584 0.091 0.000 1.189 230 A CA 1.200 53.288 52.037 0.085 0.000 0.615 230 A CB -0.493 18.541 19.000 0.057 0.000 0.830 230 A HN 0.419 nan 8.150 nan 0.000 0.443 231 I N -1.595 119.031 120.570 0.093 0.000 2.264 231 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 231 I C 2.360 178.546 176.117 0.115 0.000 1.111 231 I CA 1.584 62.934 61.300 0.083 0.000 1.382 231 I CB -0.345 37.702 38.000 0.078 0.000 1.060 231 I HN 0.467 nan 8.210 nan 0.000 0.418 232 F N 1.934 121.889 119.950 0.009 0.000 2.075 232 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 232 F C 2.551 178.356 175.800 0.008 0.000 1.113 232 F CA 1.740 59.746 58.000 0.010 0.000 1.218 232 F CB -0.094 38.914 39.000 0.013 0.000 0.984 232 F HN -0.177 nan 8.300 nan 0.000 0.472 233 K N -0.069 120.372 120.400 0.068 0.000 2.147 233 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 233 K C 1.849 178.402 176.600 -0.078 0.000 1.049 233 K CA 1.518 57.786 56.287 -0.032 0.000 0.936 233 K CB -0.412 32.122 32.500 0.057 0.000 0.722 233 K HN 0.346 nan 8.250 nan 0.000 0.446 234 S N 0.008 115.683 115.700 -0.043 0.000 2.660 234 S HA 0.083 4.553 4.470 -0.000 0.000 0.223 234 S C 1.038 175.597 174.600 -0.070 0.000 0.963 234 S CA 0.215 58.390 58.200 -0.042 0.000 0.932 234 S CB -0.112 63.080 63.200 -0.013 0.000 0.775 234 S HN 0.404 nan 8.310 nan 0.000 0.531 235 G N 0.580 109.303 108.800 -0.129 0.000 2.333 235 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.296 235 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.296 235 G C 0.649 175.500 174.900 -0.082 0.000 1.059 235 G CA 0.002 45.020 45.100 -0.137 0.000 1.050 235 G HN 0.878 nan 8.290 nan 0.000 0.508 236 G N -0.782 107.981 108.800 -0.061 0.000 2.683 236 G HA2 0.248 4.207 3.960 -0.000 0.000 0.213 236 G HA3 0.248 4.207 3.960 -0.000 0.000 0.213 236 G C 1.709 176.608 174.900 -0.003 0.000 1.142 236 G CA 0.827 45.916 45.100 -0.019 0.000 0.793 236 G HN 0.588 nan 8.290 nan 0.000 0.534 237 I N 1.297 121.863 120.570 -0.007 0.000 2.202 237 I HA -0.080 4.090 4.170 -0.000 0.000 0.242 237 I C -0.207 175.915 176.117 0.009 0.000 1.091 237 I CA 0.942 62.254 61.300 0.021 0.000 1.368 237 I CB -0.723 37.301 38.000 0.040 0.000 1.058 237 I HN 0.086 nan 8.210 nan 0.000 0.410 238 P HA -0.192 nan 4.420 nan 0.000 0.216 238 P C 1.413 178.712 177.300 -0.003 0.000 1.150 238 P CA 1.801 64.895 63.100 -0.010 0.000 0.843 238 P CB -0.011 31.674 31.700 -0.025 0.000 0.787 239 A N -0.784 122.032 122.820 -0.006 0.000 1.898 239 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 239 A C 2.170 179.759 177.584 0.008 0.000 1.181 239 A CA 1.273 53.308 52.037 -0.004 0.000 0.620 239 A CB -1.573 17.421 19.000 -0.010 0.000 0.819 239 A HN 0.104 nan 8.150 nan 0.000 0.442 240 L N -0.374 120.861 121.223 0.019 0.000 2.046 240 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 240 L C 2.495 179.390 176.870 0.042 0.000 1.077 240 L CA 1.107 55.969 54.840 0.037 0.000 0.747 240 L CB -0.699 41.392 42.059 0.053 0.000 0.896 240 L HN 0.239 nan 8.230 nan 0.000 0.432 241 V N 0.191 120.127 119.914 0.036 0.000 2.343 241 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 241 V C 2.587 178.699 176.094 0.029 0.000 1.051 241 V CA 2.047 64.369 62.300 0.037 0.000 1.036 241 V CB -0.648 31.193 31.823 0.029 0.000 0.654 241 V HN 0.473 nan 8.190 nan 0.000 0.451 242 K N -0.232 120.179 120.400 0.018 0.000 2.113 242 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 242 K C 2.071 178.677 176.600 0.009 0.000 1.047 242 K CA 1.730 58.023 56.287 0.010 0.000 0.928 242 K CB -0.154 32.347 32.500 0.001 0.000 0.716 242 K HN 0.266 nan 8.250 nan 0.000 0.446 243 M N 0.762 120.370 119.600 0.013 0.000 2.549 243 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 243 M C 1.592 177.903 176.300 0.017 0.000 1.076 243 M CA 0.981 56.287 55.300 0.009 0.000 1.090 243 M CB -0.468 32.140 32.600 0.013 0.000 1.418 243 M HN 0.199 nan 8.290 nan 0.000 0.486 244 L N -0.516 120.729 121.223 0.037 0.000 2.700 244 L HA -0.041 4.298 4.340 -0.000 0.000 0.240 244 L C 1.813 178.706 176.870 0.038 0.000 1.162 244 L CA 0.212 55.086 54.840 0.057 0.000 0.874 244 L CB -0.709 41.395 42.059 0.075 0.000 1.001 244 L HN 0.338 nan 8.230 nan 0.000 0.447 245 G N -1.711 107.096 108.800 0.012 0.000 3.324 245 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.251 245 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.251 245 G C 0.491 175.377 174.900 -0.024 0.000 1.072 245 G CA -0.094 45.006 45.100 0.001 0.000 0.787 245 G HN 0.178 nan 8.290 nan 0.000 0.537 246 S N 1.353 117.028 115.700 -0.042 0.000 2.572 246 S HA 0.323 4.793 4.470 -0.000 0.000 0.279 246 S C -0.705 173.835 174.600 -0.100 0.000 1.341 246 S CA -0.861 57.299 58.200 -0.067 0.000 1.043 246 S CB 1.490 64.644 63.200 -0.077 0.000 0.887 246 S HN 0.132 nan 8.310 nan 0.000 0.516 247 P HA 0.157 nan 4.420 nan 0.000 0.255 247 P C -0.431 176.788 177.300 -0.134 0.000 1.248 247 P CA 0.066 63.106 63.100 -0.101 0.000 0.807 247 P CB 0.062 31.723 31.700 -0.065 0.000 1.150 248 V N 1.520 121.347 119.914 -0.145 0.000 2.432 248 V HA 0.066 4.186 4.120 -0.000 0.000 0.275 248 V C 1.181 177.108 176.094 -0.278 0.000 1.043 248 V CA 0.136 62.343 62.300 -0.155 0.000 0.925 248 V CB 0.783 32.544 31.823 -0.103 0.000 0.985 248 V HN -0.131 nan 8.190 nan 0.000 0.466 249 D N 2.534 122.748 120.400 -0.310 0.000 2.078 249 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 249 D C 2.240 178.239 176.300 -0.502 0.000 0.990 249 D CA 1.942 55.581 54.000 -0.603 0.000 0.827 249 D CB -0.092 40.596 40.800 -0.187 0.000 0.975 249 D HN 0.732 nan 8.370 nan 0.000 0.451 250 S N 0.270 115.911 115.700 -0.098 0.000 2.365 250 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 250 S C 2.209 176.929 174.600 0.200 0.000 1.039 250 S CA 1.380 59.636 58.200 0.093 0.000 1.033 250 S CB -0.975 62.320 63.200 0.159 0.000 0.887 250 S HN 0.138 nan 8.310 nan 0.000 0.447 251 V N 1.625 121.570 119.914 0.051 0.000 2.427 251 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 251 V C 2.459 178.564 176.094 0.018 0.000 1.051 251 V CA 1.618 63.948 62.300 0.049 0.000 1.048 251 V CB -0.967 30.830 31.823 -0.044 0.000 0.666 251 V HN 0.375 nan 8.190 nan 0.000 0.456 252 L N -0.456 120.656 121.223 -0.184 0.000 2.023 252 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 252 L C 2.123 178.965 176.870 -0.046 0.000 1.073 252 L CA 1.995 56.694 54.840 -0.234 0.000 0.745 252 L CB -0.674 41.022 42.059 -0.605 0.000 0.900 252 L HN 0.271 nan 8.230 nan 0.000 0.435 253 F N -1.841 118.111 119.950 0.004 0.000 2.583 253 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 253 F C 1.864 177.689 175.800 0.042 0.000 1.131 253 F CA 0.558 58.578 58.000 0.033 0.000 1.467 253 F CB -1.289 37.646 39.000 -0.110 0.000 1.097 253 F HN 0.140 nan 8.300 nan 0.000 0.586 254 Y N -0.547 119.857 120.300 0.173 0.000 2.239 254 Y HA 0.121 4.670 4.550 -0.000 0.000 0.293 254 Y C 2.534 178.544 175.900 0.183 0.000 1.126 254 Y CA 0.849 59.029 58.100 0.133 0.000 1.128 254 Y CB -0.773 37.706 38.460 0.032 0.000 1.066 254 Y HN -0.057 nan 8.280 nan 0.000 0.516 255 A N 0.207 123.216 122.820 0.315 0.000 1.903 255 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 255 A C 2.118 179.830 177.584 0.214 0.000 1.191 255 A CA 2.190 54.355 52.037 0.214 0.000 0.638 255 A CB -1.173 17.911 19.000 0.141 0.000 0.823 255 A HN 0.519 nan 8.150 nan 0.000 0.451 256 I N 0.505 121.222 120.570 0.245 0.000 2.264 256 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 256 I C 2.656 178.904 176.117 0.219 0.000 1.111 256 I CA 2.512 63.948 61.300 0.226 0.000 1.382 256 I CB -0.411 37.755 38.000 0.278 0.000 1.060 256 I HN 0.537 nan 8.210 nan 0.000 0.418 257 T N -3.907 110.793 114.554 0.242 0.000 2.951 257 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 257 T C 1.764 176.576 174.700 0.186 0.000 1.073 257 T CA 1.603 63.831 62.100 0.212 0.000 1.134 257 T CB -0.951 68.069 68.868 0.253 0.000 0.884 257 T HN 0.304 nan 8.240 nan 0.000 0.479 258 T N 1.993 116.659 114.554 0.187 0.000 2.896 258 T HA 0.245 4.594 4.350 -0.000 0.000 0.263 258 T C 1.859 176.624 174.700 0.108 0.000 1.050 258 T CA 0.665 62.821 62.100 0.094 0.000 1.140 258 T CB -0.344 68.589 68.868 0.109 0.000 0.877 258 T HN 0.256 nan 8.240 nan 0.000 0.457 259 L N 0.310 121.616 121.223 0.137 0.000 2.056 259 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 259 L C 2.732 179.678 176.870 0.125 0.000 1.078 259 L CA 1.272 56.183 54.840 0.118 0.000 0.749 259 L CB -0.562 41.564 42.059 0.111 0.000 0.901 259 L HN 0.390 nan 8.230 nan 0.000 0.433 260 H N 0.596 119.705 119.070 0.064 0.000 2.352 260 H HA -0.177 4.378 4.556 -0.000 0.000 0.299 260 H C 1.922 177.292 175.328 0.069 0.000 1.097 260 H CA 2.116 58.197 56.048 0.055 0.000 1.311 260 H CB 0.170 29.968 29.762 0.061 0.000 1.377 260 H HN 0.325 nan 8.280 nan 0.000 0.504 261 N N 0.376 119.225 118.700 0.248 0.000 2.142 261 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 261 N C 2.375 177.980 175.510 0.159 0.000 1.023 261 N CA 0.797 53.975 53.050 0.213 0.000 0.852 261 N CB -0.429 38.124 38.487 0.111 0.000 0.998 261 N HN 0.283 nan 8.380 nan 0.000 0.424 262 L N 0.258 121.540 121.223 0.099 0.000 2.046 262 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 262 L C 1.952 178.840 176.870 0.031 0.000 1.077 262 L CA 0.821 55.705 54.840 0.073 0.000 0.747 262 L CB -0.324 41.788 42.059 0.089 0.000 0.896 262 L HN 0.205 nan 8.230 nan 0.000 0.432 263 L N -0.887 120.336 121.223 -0.001 0.000 2.141 263 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 263 L C 2.381 179.186 176.870 -0.108 0.000 1.094 263 L CA 1.061 55.865 54.840 -0.061 0.000 0.763 263 L CB -0.357 41.638 42.059 -0.108 0.000 0.908 263 L HN 0.288 nan 8.230 nan 0.000 0.437 264 L N -1.196 119.961 121.223 -0.110 0.000 2.049 264 L HA -0.160 4.180 4.340 -0.000 0.000 0.203 264 L C 1.804 178.467 176.870 -0.344 0.000 1.074 264 L CA 1.210 55.908 54.840 -0.237 0.000 0.749 264 L CB -0.403 41.526 42.059 -0.217 0.000 0.907 264 L HN 0.312 nan 8.230 nan 0.000 0.439 265 H N -2.587 116.457 119.070 -0.043 0.000 2.594 265 H HA 0.220 4.775 4.556 -0.000 0.000 0.279 265 H C -0.099 175.183 175.328 -0.077 0.000 1.042 265 H CA -0.292 55.728 56.048 -0.046 0.000 1.177 265 H CB 0.297 30.046 29.762 -0.021 0.000 1.524 265 H HN 0.090 nan 8.280 nan 0.000 0.537 266 Q N 1.370 121.155 119.800 -0.025 0.000 2.312 266 Q HA 0.181 4.521 4.340 -0.000 0.000 0.263 266 Q C -0.670 175.190 176.000 -0.233 0.000 0.995 266 Q CA -0.691 55.021 55.803 -0.152 0.000 0.853 266 Q CB 1.377 29.992 28.738 -0.205 0.000 1.300 266 Q HN 0.341 nan 8.270 nan 0.000 0.448 267 E N 2.288 122.315 120.200 -0.288 0.000 1.814 267 E HA 0.394 4.743 4.350 -0.000 0.000 0.264 267 E C 0.054 176.450 176.600 -0.341 0.000 1.179 267 E CA 0.637 56.892 56.400 -0.241 0.000 0.972 267 E CB -0.663 28.941 29.700 -0.160 0.000 1.077 267 E HN 0.907 nan 8.360 nan 0.000 0.417 268 G N 2.724 111.390 108.800 -0.223 0.000 2.738 268 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.195 268 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.195 268 G C 1.041 176.007 174.900 0.110 0.000 1.001 268 G CA 0.070 45.139 45.100 -0.051 0.000 0.759 268 G HN 0.592 nan 8.290 nan 0.000 0.494 269 A N 0.912 123.741 122.820 0.015 0.000 1.948 269 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 269 A C 2.152 179.799 177.584 0.106 0.000 1.177 269 A CA 2.394 54.519 52.037 0.146 0.000 0.636 269 A CB -0.464 18.569 19.000 0.054 0.000 0.815 269 A HN 0.477 nan 8.150 nan 0.000 0.449 270 K N -1.019 119.411 120.400 0.049 0.000 1.991 270 K HA -0.142 4.178 4.320 -0.000 0.000 0.212 270 K C 2.167 178.796 176.600 0.048 0.000 1.049 270 K CA 1.858 58.166 56.287 0.034 0.000 0.932 270 K CB -0.359 32.149 32.500 0.013 0.000 0.717 270 K HN 0.546 nan 8.250 nan 0.000 0.441 271 M N 0.484 120.120 119.600 0.059 0.000 2.082 271 M HA -0.220 4.259 4.480 -0.000 0.000 0.258 271 M C 2.468 178.804 176.300 0.060 0.000 1.069 271 M CA 1.829 57.163 55.300 0.056 0.000 1.102 271 M CB -0.507 32.133 32.600 0.065 0.000 1.336 271 M HN 0.242 nan 8.290 nan 0.000 0.404 272 A N -0.032 122.844 122.820 0.094 0.000 1.858 272 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 272 A C 2.221 179.836 177.584 0.052 0.000 1.190 272 A CA 1.785 53.867 52.037 0.074 0.000 0.617 272 A CB -1.123 17.948 19.000 0.119 0.000 0.827 272 A HN 0.293 nan 8.150 nan 0.000 0.443 273 V N 0.202 120.154 119.914 0.063 0.000 2.568 273 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 273 V C 2.581 178.693 176.094 0.031 0.000 1.072 273 V CA 2.179 64.506 62.300 0.045 0.000 1.084 273 V CB -0.914 30.935 31.823 0.044 0.000 0.676 273 V HN 0.498 nan 8.190 nan 0.000 0.469 274 R N -0.810 119.707 120.500 0.029 0.000 2.119 274 R HA 0.063 4.403 4.340 -0.000 0.000 0.222 274 R C 2.217 178.527 176.300 0.016 0.000 1.088 274 R CA 0.858 56.971 56.100 0.020 0.000 0.984 274 R CB -0.165 30.146 30.300 0.019 0.000 0.884 274 R HN 0.420 nan 8.270 nan 0.000 0.447 275 L N 0.038 121.270 121.223 0.016 0.000 2.072 275 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 275 L C 2.554 179.428 176.870 0.007 0.000 1.079 275 L CA 0.952 55.797 54.840 0.009 0.000 0.752 275 L CB -0.523 41.539 42.059 0.005 0.000 0.906 275 L HN 0.203 nan 8.230 nan 0.000 0.436 276 A N -0.053 122.772 122.820 0.009 0.000 2.024 276 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 276 A C 1.509 179.100 177.584 0.011 0.000 1.164 276 A CA 1.221 53.263 52.037 0.008 0.000 0.643 276 A CB -0.827 18.180 19.000 0.012 0.000 0.806 276 A HN 0.596 nan 8.150 nan 0.000 0.451 277 G N -2.177 106.631 108.800 0.013 0.000 2.545 277 G HA2 0.070 4.030 3.960 -0.000 0.000 0.279 277 G HA3 0.070 4.030 3.960 -0.000 0.000 0.279 277 G C 0.769 175.679 174.900 0.017 0.000 1.131 277 G CA 0.343 45.451 45.100 0.013 0.000 1.100 277 G HN 1.259 nan 8.290 nan 0.000 0.525 278 G N -0.796 108.015 108.800 0.020 0.000 2.880 278 G HA2 0.297 4.256 3.960 -0.000 0.000 0.209 278 G HA3 0.297 4.256 3.960 -0.000 0.000 0.209 278 G C 1.701 176.614 174.900 0.021 0.000 1.157 278 G CA 0.903 46.017 45.100 0.024 0.000 0.779 278 G HN 0.600 nan 8.290 nan 0.000 0.539 279 L N -0.372 120.861 121.223 0.016 0.000 2.023 279 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 279 L C 2.952 179.831 176.870 0.015 0.000 1.073 279 L CA 1.109 55.956 54.840 0.013 0.000 0.745 279 L CB -0.347 41.718 42.059 0.009 0.000 0.900 279 L HN 0.166 nan 8.230 nan 0.000 0.435 280 Q N 0.869 120.679 119.800 0.016 0.000 2.096 280 Q HA -0.228 4.111 4.340 -0.000 0.000 0.204 280 Q C 2.083 178.098 176.000 0.025 0.000 0.982 280 Q CA 1.701 57.515 55.803 0.018 0.000 0.850 280 Q CB 0.041 28.789 28.738 0.017 0.000 0.901 280 Q HN 0.452 nan 8.270 nan 0.000 0.422 281 K N -0.194 120.223 120.400 0.028 0.000 2.002 281 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 281 K C 2.363 178.990 176.600 0.045 0.000 1.048 281 K CA 1.602 57.912 56.287 0.038 0.000 0.930 281 K CB -0.220 32.303 32.500 0.039 0.000 0.714 281 K HN 0.257 nan 8.250 nan 0.000 0.438 282 M N 0.729 120.350 119.600 0.034 0.000 2.149 282 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 282 M C 2.179 178.491 176.300 0.019 0.000 1.064 282 M CA 1.298 56.612 55.300 0.022 0.000 1.102 282 M CB -0.220 32.383 32.600 0.005 0.000 1.369 282 M HN -0.064 nan 8.290 nan 0.000 0.408 283 V N -0.021 119.906 119.914 0.021 0.000 2.667 283 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 283 V C 2.473 178.591 176.094 0.040 0.000 1.065 283 V CA 1.676 63.990 62.300 0.024 0.000 1.083 283 V CB -1.109 30.726 31.823 0.020 0.000 0.692 283 V HN 0.504 nan 8.190 nan 0.000 0.468 284 A N -0.410 122.438 122.820 0.047 0.000 2.066 284 A HA 0.017 4.336 4.320 -0.000 0.000 0.218 284 A C 2.063 179.698 177.584 0.085 0.000 1.157 284 A CA 1.065 53.137 52.037 0.057 0.000 0.670 284 A CB -0.342 18.688 19.000 0.050 0.000 0.804 284 A HN 0.526 nan 8.150 nan 0.000 0.453 285 L N -0.477 120.809 121.223 0.106 0.000 2.554 285 L HA 0.097 4.437 4.340 -0.000 0.000 0.226 285 L C 1.427 178.406 176.870 0.181 0.000 1.137 285 L CA 0.034 54.986 54.840 0.188 0.000 0.863 285 L CB -0.187 42.026 42.059 0.256 0.000 0.985 285 L HN 0.326 nan 8.230 nan 0.000 0.451 286 L N 0.753 122.037 121.223 0.102 0.000 2.700 286 L HA -0.134 4.206 4.340 -0.000 0.000 0.240 286 L C 1.504 178.450 176.870 0.127 0.000 1.162 286 L CA 0.819 55.714 54.840 0.092 0.000 0.874 286 L CB -0.692 41.403 42.059 0.059 0.000 1.001 286 L HN 0.563 nan 8.230 nan 0.000 0.447 287 N N -2.277 116.507 118.700 0.140 0.000 2.220 287 N HA 0.002 4.741 4.740 -0.000 0.000 0.195 287 N C 0.730 176.336 175.510 0.161 0.000 1.123 287 N CA -0.369 52.763 53.050 0.136 0.000 0.874 287 N CB 0.417 38.964 38.487 0.099 0.000 0.995 287 N HN -0.066 nan 8.380 nan 0.000 0.498 288 K N 0.408 120.931 120.400 0.204 0.000 2.159 288 K HA 0.035 4.355 4.320 -0.000 0.000 0.242 288 K C 0.907 177.617 176.600 0.183 0.000 1.043 288 K CA 0.820 57.231 56.287 0.207 0.000 0.856 288 K CB 0.382 33.080 32.500 0.329 0.000 1.072 288 K HN 0.361 nan 8.250 nan 0.000 0.514 289 T N -3.152 111.480 114.554 0.129 0.000 3.040 289 T HA 0.045 4.394 4.350 -0.000 0.000 0.266 289 T C 0.393 175.056 174.700 -0.061 0.000 1.005 289 T CA -0.395 61.743 62.100 0.063 0.000 0.906 289 T CB -0.004 68.914 68.868 0.083 0.000 1.082 289 T HN 0.325 nan 8.240 nan 0.000 0.531 290 N N 2.761 121.456 118.700 -0.010 0.000 2.439 290 N HA 0.111 4.851 4.740 -0.000 0.000 0.243 290 N C 1.687 177.112 175.510 -0.141 0.000 1.088 290 N CA 0.081 53.065 53.050 -0.110 0.000 0.940 290 N CB 1.749 40.139 38.487 -0.161 0.000 1.180 290 N HN 0.245 nan 8.380 nan 0.000 0.505 291 V N 2.816 122.542 119.914 -0.313 0.000 2.453 291 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 291 V C 1.905 177.832 176.094 -0.279 0.000 1.068 291 V CA 1.434 63.519 62.300 -0.359 0.000 1.070 291 V CB -0.398 31.136 31.823 -0.482 0.000 0.664 291 V HN 0.504 nan 8.190 nan 0.000 0.461 292 K N -0.793 119.417 120.400 -0.316 0.000 2.116 292 K HA 0.011 4.331 4.320 -0.000 0.000 0.203 292 K C 1.962 178.509 176.600 -0.089 0.000 1.052 292 K CA 1.475 57.624 56.287 -0.230 0.000 0.952 292 K CB -0.295 32.044 32.500 -0.268 0.000 0.729 292 K HN 0.582 nan 8.250 nan 0.000 0.446 293 F N 2.205 122.005 119.950 -0.250 0.000 2.102 293 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 293 F C 1.696 177.481 175.800 -0.026 0.000 1.105 293 F CA 1.278 59.190 58.000 -0.145 0.000 1.239 293 F CB -0.366 38.566 39.000 -0.115 0.000 0.991 293 F HN -0.130 nan 8.300 nan 0.000 0.474 294 L N 0.204 121.348 121.223 -0.132 0.000 1.989 294 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 294 L C 2.873 179.658 176.870 -0.142 0.000 1.071 294 L CA 1.341 56.067 54.840 -0.190 0.000 0.749 294 L CB -1.549 40.478 42.059 -0.053 0.000 0.890 294 L HN 0.235 nan 8.230 nan 0.000 0.431 295 A N 0.559 123.350 122.820 -0.049 0.000 1.903 295 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 295 A C 2.228 179.802 177.584 -0.018 0.000 1.191 295 A CA 2.187 54.236 52.037 0.019 0.000 0.638 295 A CB -0.875 18.195 19.000 0.118 0.000 0.823 295 A HN 0.423 nan 8.150 nan 0.000 0.451 296 I N -0.794 119.735 120.570 -0.069 0.000 2.252 296 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 296 I C 2.548 178.644 176.117 -0.035 0.000 1.102 296 I CA 1.673 62.937 61.300 -0.061 0.000 1.385 296 I CB -0.731 37.217 38.000 -0.087 0.000 1.064 296 I HN 0.290 nan 8.210 nan 0.000 0.414 297 T N 0.113 114.552 114.554 -0.190 0.000 2.737 297 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 297 T C 2.002 176.647 174.700 -0.092 0.000 1.038 297 T CA 2.129 64.113 62.100 -0.193 0.000 1.144 297 T CB -0.628 68.002 68.868 -0.396 0.000 0.866 297 T HN 0.539 nan 8.240 nan 0.000 0.434 298 T N 0.541 115.043 114.554 -0.086 0.000 2.833 298 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 298 T C 1.693 176.359 174.700 -0.057 0.000 1.054 298 T CA 1.678 63.741 62.100 -0.061 0.000 1.135 298 T CB -0.580 68.254 68.868 -0.055 0.000 0.869 298 T HN 0.355 nan 8.240 nan 0.000 0.466 299 D N -0.142 120.243 120.400 -0.025 0.000 2.219 299 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 299 D C 1.898 178.176 176.300 -0.036 0.000 0.970 299 D CA 0.658 54.647 54.000 -0.018 0.000 0.851 299 D CB -0.518 40.345 40.800 0.105 0.000 0.943 299 D HN 0.468 nan 8.370 nan 0.000 0.488 300 C N -0.296 119.002 119.300 -0.003 0.000 2.446 300 C HA 0.091 4.551 4.460 -0.000 0.000 0.279 300 C C 2.577 177.538 174.990 -0.047 0.000 1.366 300 C CA 0.060 59.054 59.018 -0.041 0.000 1.763 300 C CB -0.990 26.757 27.740 0.011 0.000 1.929 300 C HN 0.449 nan 8.230 nan 0.000 0.509 301 L N 0.186 121.384 121.223 -0.041 0.000 2.072 301 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 301 L C 2.870 179.717 176.870 -0.038 0.000 1.079 301 L CA 1.334 56.153 54.840 -0.034 0.000 0.752 301 L CB -0.791 41.248 42.059 -0.033 0.000 0.906 301 L HN 0.403 nan 8.230 nan 0.000 0.436 302 Q N 0.797 120.559 119.800 -0.062 0.000 2.084 302 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 302 Q C 2.267 178.236 176.000 -0.051 0.000 0.978 302 Q CA 1.701 57.463 55.803 -0.069 0.000 0.844 302 Q CB -0.051 28.607 28.738 -0.133 0.000 0.898 302 Q HN 0.553 nan 8.270 nan 0.000 0.426 303 I N 0.650 121.171 120.570 -0.082 0.000 2.179 303 I HA -0.315 3.854 4.170 -0.000 0.000 0.242 303 I C 2.322 178.429 176.117 -0.016 0.000 1.088 303 I CA 0.979 62.230 61.300 -0.080 0.000 1.357 303 I CB -0.265 37.657 38.000 -0.129 0.000 1.051 303 I HN 0.202 nan 8.210 nan 0.000 0.409 304 L N 0.370 121.583 121.223 -0.017 0.000 2.217 304 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 304 L C 2.610 179.492 176.870 0.020 0.000 1.107 304 L CA 0.896 55.737 54.840 0.002 0.000 0.783 304 L CB -0.496 41.560 42.059 -0.005 0.000 0.919 304 L HN 0.195 nan 8.230 nan 0.000 0.442 305 A N -1.423 121.412 122.820 0.026 0.000 2.169 305 A HA -0.107 4.213 4.320 -0.000 0.000 0.212 305 A C 0.720 178.335 177.584 0.051 0.000 1.153 305 A CA 0.022 52.074 52.037 0.026 0.000 0.756 305 A CB -0.395 18.613 19.000 0.014 0.000 0.813 305 A HN 0.290 nan 8.150 nan 0.000 0.471 306 Y N 1.262 121.529 120.300 -0.054 0.000 2.496 306 Y HA 0.371 4.921 4.550 -0.000 0.000 0.334 306 Y C 1.198 177.073 175.900 -0.041 0.000 1.080 306 Y CA 0.281 58.349 58.100 -0.054 0.000 1.355 306 Y CB 0.069 38.489 38.460 -0.067 0.000 1.193 306 Y HN 0.467 nan 8.280 nan 0.000 0.523 307 G N 4.667 113.205 108.800 -0.438 0.000 2.367 307 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.295 307 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.295 307 G C -0.638 174.189 174.900 -0.123 0.000 1.019 307 G CA 0.523 45.442 45.100 -0.301 0.000 1.224 307 G HN 0.978 nan 8.290 nan 0.000 0.510 308 N N -0.923 117.718 118.700 -0.099 0.000 4.190 308 N HA 0.232 4.972 4.740 -0.000 0.000 0.184 308 N C 0.563 176.046 175.510 -0.044 0.000 1.230 308 N CA -0.075 52.945 53.050 -0.051 0.000 0.927 308 N CB 0.697 39.168 38.487 -0.026 0.000 1.653 308 N HN 0.187 nan 8.380 nan 0.000 0.832 309 Q N 1.482 121.257 119.800 -0.041 0.000 2.230 309 Q HA 0.065 4.405 4.340 -0.000 0.000 0.202 309 Q C 0.861 176.849 176.000 -0.019 0.000 0.963 309 Q CA 1.579 57.363 55.803 -0.031 0.000 0.866 309 Q CB 0.285 29.006 28.738 -0.029 0.000 0.931 309 Q HN 0.617 nan 8.270 nan 0.000 0.452 310 E N -0.395 119.796 120.200 -0.016 0.000 2.153 310 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 310 E C 1.887 178.483 176.600 -0.007 0.000 0.988 310 E CA 1.386 57.780 56.400 -0.009 0.000 0.811 310 E CB -0.063 29.633 29.700 -0.007 0.000 0.746 310 E HN 0.315 nan 8.360 nan 0.000 0.466 311 S N 0.981 116.676 115.700 -0.008 0.000 2.414 311 S HA -0.028 4.442 4.470 -0.000 0.000 0.227 311 S C 1.804 176.401 174.600 -0.005 0.000 1.022 311 S CA 0.638 58.835 58.200 -0.004 0.000 0.958 311 S CB 0.030 63.228 63.200 -0.003 0.000 0.797 311 S HN 0.214 nan 8.310 nan 0.000 0.493 312 K N 1.111 121.506 120.400 -0.009 0.000 2.211 312 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 312 K C 1.775 178.372 176.600 -0.005 0.000 1.050 312 K CA 0.710 56.992 56.287 -0.008 0.000 0.945 312 K CB -0.239 32.253 32.500 -0.014 0.000 0.732 312 K HN 0.299 nan 8.250 nan 0.000 0.451 313 L N 0.633 121.853 121.223 -0.005 0.000 2.179 313 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 313 L C 2.228 179.098 176.870 0.000 0.000 1.096 313 L CA 0.817 55.655 54.840 -0.002 0.000 0.779 313 L CB -0.236 41.821 42.059 -0.003 0.000 0.922 313 L HN 0.148 nan 8.230 nan 0.000 0.443 314 I N -0.109 120.461 120.570 0.001 0.000 2.252 314 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 314 I C 2.412 178.532 176.117 0.005 0.000 1.102 314 I CA 1.351 62.653 61.300 0.003 0.000 1.385 314 I CB -0.156 37.846 38.000 0.004 0.000 1.064 314 I HN 0.158 nan 8.210 nan 0.000 0.414 315 I N 0.336 120.908 120.570 0.003 0.000 2.163 315 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 315 I C 2.587 178.708 176.117 0.006 0.000 1.085 315 I CA 1.293 62.596 61.300 0.005 0.000 1.347 315 I CB -0.376 37.625 38.000 0.002 0.000 1.044 315 I HN 0.254 nan 8.210 nan 0.000 0.408 316 L N 1.432 122.657 121.223 0.004 0.000 2.012 316 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 316 L C 2.528 179.402 176.870 0.006 0.000 1.073 316 L CA 2.268 57.111 54.840 0.005 0.000 0.748 316 L CB -0.862 41.199 42.059 0.004 0.000 0.891 316 L HN 0.196 nan 8.230 nan 0.000 0.431 317 A N -1.987 120.836 122.820 0.006 0.000 2.067 317 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 317 A C 2.148 179.737 177.584 0.008 0.000 1.158 317 A CA 1.559 53.600 52.037 0.006 0.000 0.661 317 A CB -0.569 18.434 19.000 0.005 0.000 0.801 317 A HN 0.522 nan 8.150 nan 0.000 0.452 318 S N -1.199 114.507 115.700 0.009 0.000 2.577 318 S HA 0.391 4.861 4.470 -0.000 0.000 0.219 318 S C 1.064 175.673 174.600 0.014 0.000 0.962 318 S CA 0.493 58.700 58.200 0.012 0.000 0.921 318 S CB 0.078 63.286 63.200 0.013 0.000 0.789 318 S HN 1.595 nan 8.310 nan 0.000 0.497 319 G N 1.274 110.081 108.800 0.013 0.000 2.291 319 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.271 319 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.271 319 G C 0.662 175.572 174.900 0.017 0.000 1.099 319 G CA 0.066 45.175 45.100 0.014 0.000 0.919 319 G HN 0.572 nan 8.290 nan 0.000 0.496 320 G N 0.060 108.868 108.800 0.014 0.000 2.408 320 G HA2 0.196 4.156 3.960 -0.000 0.000 0.213 320 G HA3 0.196 4.156 3.960 -0.000 0.000 0.213 320 G C 0.143 175.053 174.900 0.016 0.000 1.177 320 G CA 1.218 46.327 45.100 0.015 0.000 0.802 320 G HN 0.506 nan 8.290 nan 0.000 0.533 321 P HA -0.209 nan 4.420 nan 0.000 0.217 321 P C 1.733 179.044 177.300 0.018 0.000 1.162 321 P CA 2.101 65.210 63.100 0.015 0.000 0.901 321 P CB -0.063 31.645 31.700 0.013 0.000 0.793 322 Q N -1.313 118.497 119.800 0.017 0.000 2.432 322 Q HA 0.147 4.487 4.340 -0.000 0.000 0.205 322 Q C 1.736 177.749 176.000 0.022 0.000 0.945 322 Q CA 1.353 57.166 55.803 0.018 0.000 0.924 322 Q CB -1.207 27.540 28.738 0.015 0.000 1.016 322 Q HN 0.123 nan 8.270 nan 0.000 0.503 323 A N 0.862 123.698 122.820 0.026 0.000 1.903 323 A HA 0.130 4.450 4.320 -0.000 0.000 0.213 323 A C 2.015 179.623 177.584 0.041 0.000 1.185 323 A CA 0.691 52.748 52.037 0.034 0.000 0.628 323 A CB -0.500 18.522 19.000 0.036 0.000 0.830 323 A HN 0.346 nan 8.150 nan 0.000 0.446 324 L N -0.332 120.912 121.223 0.036 0.000 2.056 324 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 324 L C 2.476 179.372 176.870 0.044 0.000 1.078 324 L CA 0.952 55.816 54.840 0.039 0.000 0.749 324 L CB -0.590 41.483 42.059 0.024 0.000 0.901 324 L HN 0.214 nan 8.230 nan 0.000 0.433 325 V N 0.461 120.397 119.914 0.036 0.000 2.380 325 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 325 V C 2.347 178.461 176.094 0.033 0.000 1.063 325 V CA 2.184 64.506 62.300 0.037 0.000 1.055 325 V CB -0.843 30.997 31.823 0.028 0.000 0.657 325 V HN 0.614 nan 8.190 nan 0.000 0.455 326 N N 0.067 118.781 118.700 0.024 0.000 2.223 326 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 326 N C 1.900 177.398 175.510 -0.019 0.000 1.016 326 N CA 1.428 54.477 53.050 -0.001 0.000 0.863 326 N CB -0.027 38.461 38.487 0.001 0.000 0.983 326 N HN 0.483 nan 8.380 nan 0.000 0.429 327 I N 1.023 121.617 120.570 0.041 0.000 2.179 327 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 327 I C 2.289 178.460 176.117 0.091 0.000 1.088 327 I CA 0.862 62.225 61.300 0.104 0.000 1.357 327 I CB -0.170 37.940 38.000 0.182 0.000 1.051 327 I HN 0.177 nan 8.210 nan 0.000 0.409 328 M N 0.539 120.196 119.600 0.095 0.000 2.202 328 M HA -0.192 4.288 4.480 -0.000 0.000 0.262 328 M C 1.795 178.215 176.300 0.200 0.000 1.063 328 M CA 1.637 57.024 55.300 0.144 0.000 1.097 328 M CB -1.151 31.530 32.600 0.135 0.000 1.382 328 M HN 0.374 nan 8.290 nan 0.000 0.413 329 R N -1.375 119.171 120.500 0.077 0.000 2.609 329 R HA 0.277 4.617 4.340 -0.000 0.000 0.326 329 R C 0.540 176.813 176.300 -0.045 0.000 1.090 329 R CA 0.141 56.260 56.100 0.033 0.000 1.072 329 R CB -0.033 30.269 30.300 0.003 0.000 1.330 329 R HN -0.018 nan 8.270 nan 0.000 0.572 330 T N -1.342 113.142 114.554 -0.115 0.000 3.177 330 T HA 0.216 4.566 4.350 -0.000 0.000 0.262 330 T C -0.632 173.882 174.700 -0.309 0.000 0.959 330 T CA 0.227 62.141 62.100 -0.309 0.000 0.996 330 T CB 0.007 68.510 68.868 -0.609 0.000 1.185 330 T HN 0.063 nan 8.240 nan 0.000 0.486 331 Y N 1.451 121.809 120.300 0.095 0.000 2.545 331 Y HA 0.531 5.081 4.550 -0.000 0.000 0.324 331 Y C 1.654 177.628 175.900 0.124 0.000 1.220 331 Y CA -1.017 57.143 58.100 0.099 0.000 1.290 331 Y CB 0.797 39.314 38.460 0.096 0.000 1.355 331 Y HN 0.050 nan 8.280 nan 0.000 0.516 332 T N -4.297 110.450 114.554 0.322 0.000 3.041 332 T HA 0.110 4.460 4.350 -0.000 0.000 0.276 332 T C -0.283 174.539 174.700 0.202 0.000 0.948 332 T CA -0.135 62.101 62.100 0.226 0.000 0.885 332 T CB -0.713 68.264 68.868 0.182 0.000 1.175 332 T HN 0.354 nan 8.240 nan 0.000 0.529 333 Y N 3.544 123.893 120.300 0.081 0.000 2.729 333 Y HA 0.177 4.727 4.550 -0.000 0.000 0.331 333 Y C 1.668 177.587 175.900 0.032 0.000 1.208 333 Y CA -0.761 57.359 58.100 0.033 0.000 1.521 333 Y CB 0.650 39.108 38.460 -0.003 0.000 1.233 333 Y HN 0.147 nan 8.280 nan 0.000 0.539 334 E N 4.945 124.949 120.200 -0.326 0.000 2.051 334 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 334 E C 1.618 178.054 176.600 -0.274 0.000 0.991 334 E CA 1.616 57.854 56.400 -0.269 0.000 0.799 334 E CB 0.049 29.602 29.700 -0.246 0.000 0.748 334 E HN 0.845 nan 8.360 nan 0.000 0.449 335 K N 0.199 120.250 120.400 -0.582 0.000 2.360 335 K HA -0.143 4.177 4.320 -0.000 0.000 0.201 335 K C 2.228 178.869 176.600 0.068 0.000 1.046 335 K CA 0.611 56.770 56.287 -0.213 0.000 0.945 335 K CB -0.025 32.318 32.500 -0.263 0.000 0.750 335 K HN 0.068 nan 8.250 nan 0.000 0.464 336 L N 0.625 121.900 121.223 0.088 0.000 2.102 336 L HA 0.011 4.351 4.340 -0.000 0.000 0.202 336 L C 1.698 178.632 176.870 0.107 0.000 1.076 336 L CA 1.296 56.252 54.840 0.193 0.000 0.761 336 L CB -0.255 41.981 42.059 0.296 0.000 0.921 336 L HN 0.114 nan 8.230 nan 0.000 0.444 337 L N -1.510 119.755 121.223 0.070 0.000 2.191 337 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 337 L C 2.302 179.197 176.870 0.042 0.000 1.103 337 L CA 1.347 56.188 54.840 0.000 0.000 0.769 337 L CB -0.587 41.394 42.059 -0.130 0.000 0.908 337 L HN 0.550 nan 8.230 nan 0.000 0.438 338 W N 1.013 122.253 121.300 -0.100 0.000 2.407 338 W HA -0.194 4.466 4.660 -0.000 0.000 0.305 338 W C 2.819 179.303 176.519 -0.058 0.000 1.196 338 W CA 1.970 59.264 57.345 -0.085 0.000 1.311 338 W CB -0.545 28.858 29.460 -0.096 0.000 1.135 338 W HN 0.210 nan 8.180 nan 0.000 0.514 339 T N -2.951 111.482 114.554 -0.202 0.000 2.857 339 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 339 T C 1.625 176.174 174.700 -0.251 0.000 1.048 339 T CA 1.902 63.757 62.100 -0.409 0.000 1.139 339 T CB -1.039 67.710 68.868 -0.198 0.000 0.874 339 T HN 0.066 nan 8.240 nan 0.000 0.455 340 T N 2.361 116.844 114.554 -0.117 0.000 2.962 340 T HA -0.050 4.300 4.350 -0.000 0.000 0.270 340 T C 2.341 176.991 174.700 -0.083 0.000 1.088 340 T CA 1.380 63.438 62.100 -0.069 0.000 1.127 340 T CB -0.439 68.427 68.868 -0.004 0.000 0.883 340 T HN 0.754 nan 8.240 nan 0.000 0.493 341 S N 1.350 116.980 115.700 -0.117 0.000 2.425 341 S HA 0.070 4.540 4.470 -0.000 0.000 0.225 341 S C 2.018 176.526 174.600 -0.154 0.000 1.024 341 S CA -0.053 58.092 58.200 -0.093 0.000 0.951 341 S CB -0.174 62.992 63.200 -0.057 0.000 0.796 341 S HN 0.293 nan 8.310 nan 0.000 0.498 342 R N 0.710 121.037 120.500 -0.288 0.000 2.148 342 R HA 0.092 4.432 4.340 -0.000 0.000 0.227 342 R C 1.963 178.145 176.300 -0.197 0.000 1.103 342 R CA 1.062 56.966 56.100 -0.326 0.000 0.983 342 R CB -0.674 29.294 30.300 -0.553 0.000 0.874 342 R HN 0.394 nan 8.270 nan 0.000 0.451 343 V N 1.070 120.893 119.914 -0.152 0.000 2.719 343 V HA -0.122 3.997 4.120 -0.000 0.000 0.252 343 V C 2.188 178.252 176.094 -0.050 0.000 1.065 343 V CA 1.138 63.386 62.300 -0.088 0.000 1.086 343 V CB -0.196 31.586 31.823 -0.069 0.000 0.700 343 V HN 0.237 nan 8.190 nan 0.000 0.467 344 L N -0.311 120.883 121.223 -0.048 0.000 2.162 344 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 344 L C 2.434 179.303 176.870 -0.002 0.000 1.086 344 L CA 1.162 55.993 54.840 -0.014 0.000 0.778 344 L CB -0.476 41.584 42.059 0.001 0.000 0.928 344 L HN 0.230 nan 8.230 nan 0.000 0.446 345 K N 0.210 120.595 120.400 -0.025 0.000 2.442 345 K HA -0.101 4.219 4.320 -0.000 0.000 0.198 345 K C 1.624 178.225 176.600 0.002 0.000 1.042 345 K CA 0.798 57.078 56.287 -0.011 0.000 0.958 345 K CB 0.281 32.722 32.500 -0.099 0.000 0.766 345 K HN 0.159 nan 8.250 nan 0.000 0.474 346 V N 0.720 120.633 119.914 -0.002 0.000 2.685 346 V HA -0.088 4.032 4.120 -0.000 0.000 0.244 346 V C 2.017 178.117 176.094 0.009 0.000 1.054 346 V CA 0.753 63.066 62.300 0.021 0.000 1.076 346 V CB -0.052 31.798 31.823 0.045 0.000 0.725 346 V HN 0.244 nan 8.190 nan 0.000 0.467 347 L N 0.939 122.166 121.223 0.007 0.000 2.179 347 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 347 L C 2.676 179.555 176.870 0.015 0.000 1.096 347 L CA 1.444 56.288 54.840 0.006 0.000 0.779 347 L CB -0.523 41.538 42.059 0.005 0.000 0.922 347 L HN 0.526 nan 8.230 nan 0.000 0.443 348 S N -0.851 114.866 115.700 0.029 0.000 2.442 348 S HA -0.125 4.345 4.470 -0.000 0.000 0.236 348 S C 1.863 176.489 174.600 0.044 0.000 1.007 348 S CA 0.874 59.099 58.200 0.041 0.000 0.965 348 S CB -0.691 62.547 63.200 0.064 0.000 0.773 348 S HN 0.175 nan 8.310 nan 0.000 0.504 349 V N 1.745 121.682 119.914 0.040 0.000 2.343 349 V HA -0.071 4.048 4.120 -0.000 0.000 0.247 349 V C 2.195 178.299 176.094 0.018 0.000 1.051 349 V CA 0.998 63.319 62.300 0.036 0.000 1.036 349 V CB -1.732 30.103 31.823 0.020 0.000 0.654 349 V HN 0.932 nan 8.190 nan 0.000 0.451 350 C N 0.096 119.399 119.300 0.006 0.000 2.689 350 C HA 0.420 4.880 4.460 -0.000 0.000 0.409 350 C C 2.330 177.324 174.990 0.007 0.000 1.293 350 C CA 0.502 59.520 59.018 0.001 0.000 2.136 350 C CB 0.198 27.934 27.740 -0.006 0.000 2.719 350 C HN 0.392 nan 8.230 nan 0.000 0.644 351 S N 0.905 116.608 115.700 0.004 0.000 2.388 351 S HA -0.075 4.394 4.470 -0.000 0.000 0.223 351 S C 2.066 176.669 174.600 0.005 0.000 1.034 351 S CA 1.648 59.851 58.200 0.006 0.000 0.963 351 S CB -0.058 63.145 63.200 0.005 0.000 0.827 351 S HN 0.864 nan 8.310 nan 0.000 0.481 352 S N 2.196 117.897 115.700 0.002 0.000 2.607 352 S HA 0.105 4.575 4.470 -0.000 0.000 0.224 352 S C 0.983 175.585 174.600 0.003 0.000 0.969 352 S CA 0.352 58.553 58.200 0.002 0.000 0.927 352 S CB -0.228 62.972 63.200 0.000 0.000 0.772 352 S HN 0.447 nan 8.310 nan 0.000 0.533 353 N N 1.161 119.864 118.700 0.005 0.000 2.414 353 N HA 0.152 4.891 4.740 -0.000 0.000 0.177 353 N C 1.433 176.949 175.510 0.010 0.000 1.062 353 N CA 0.359 53.413 53.050 0.006 0.000 0.890 353 N CB 0.057 38.547 38.487 0.005 0.000 1.070 353 N HN 0.256 nan 8.380 nan 0.000 0.454 354 K N 0.839 121.247 120.400 0.012 0.000 1.985 354 K HA -0.021 4.299 4.320 -0.000 0.000 0.210 354 K C -0.820 175.788 176.600 0.013 0.000 1.047 354 K CA 1.386 57.682 56.287 0.015 0.000 0.932 354 K CB -1.102 31.409 32.500 0.017 0.000 0.716 354 K HN 0.087 nan 8.250 nan 0.000 0.439 355 P HA -0.242 nan 4.420 nan 0.000 0.218 355 P C 0.985 178.290 177.300 0.009 0.000 1.152 355 P CA 1.864 64.969 63.100 0.008 0.000 0.857 355 P CB -0.041 31.663 31.700 0.006 0.000 0.787 356 A N -1.154 121.672 122.820 0.009 0.000 1.972 356 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 356 A C 2.148 179.739 177.584 0.011 0.000 1.169 356 A CA 1.457 53.500 52.037 0.009 0.000 0.635 356 A CB -1.426 17.579 19.000 0.009 0.000 0.810 356 A HN 0.160 nan 8.150 nan 0.000 0.446 357 I N -0.768 119.810 120.570 0.013 0.000 2.235 357 I HA -0.144 4.026 4.170 -0.000 0.000 0.241 357 I C 2.275 178.402 176.117 0.016 0.000 1.085 357 I CA 0.921 62.231 61.300 0.016 0.000 1.378 357 I CB -0.565 37.447 38.000 0.020 0.000 1.076 357 I HN 0.111 nan 8.210 nan 0.000 0.415 358 V N 1.496 121.419 119.914 0.014 0.000 2.392 358 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 358 V C 3.059 179.158 176.094 0.008 0.000 1.059 358 V CA 2.514 64.821 62.300 0.012 0.000 1.051 358 V CB -1.475 30.353 31.823 0.009 0.000 0.658 358 V HN 0.625 nan 8.190 nan 0.000 0.455 359 E N 0.149 120.353 120.200 0.007 0.000 2.106 359 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 359 E C 2.233 178.836 176.600 0.005 0.000 0.984 359 E CA 1.672 58.075 56.400 0.005 0.000 0.806 359 E CB -0.801 28.901 29.700 0.005 0.000 0.750 359 E HN 0.717 nan 8.360 nan 0.000 0.458 360 A N -0.739 122.085 122.820 0.008 0.000 1.930 360 A HA 0.383 4.703 4.320 -0.000 0.000 0.217 360 A C 2.333 179.921 177.584 0.007 0.000 1.175 360 A CA 2.178 54.220 52.037 0.008 0.000 0.627 360 A CB -0.158 18.849 19.000 0.012 0.000 0.815 360 A HN 1.577 nan 8.150 nan 0.000 0.443 361 G N -3.254 105.551 108.800 0.009 0.000 2.215 361 G HA2 0.089 4.049 3.960 -0.000 0.000 0.187 361 G HA3 0.089 4.049 3.960 -0.000 0.000 0.187 361 G C 1.020 175.929 174.900 0.014 0.000 1.039 361 G CA 0.419 45.524 45.100 0.008 0.000 0.771 361 G HN 1.099 nan 8.290 nan 0.000 0.507 362 G N 0.584 109.395 108.800 0.019 0.000 2.462 362 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 362 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 362 G C 1.786 176.704 174.900 0.031 0.000 1.121 362 G CA 1.627 46.743 45.100 0.028 0.000 0.758 362 G HN 0.409 nan 8.290 nan 0.000 0.559 363 M N -0.149 119.465 119.600 0.022 0.000 2.156 363 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 363 M C 2.617 178.928 176.300 0.018 0.000 1.067 363 M CA 1.211 56.524 55.300 0.022 0.000 1.131 363 M CB -0.954 31.653 32.600 0.013 0.000 1.368 363 M HN 0.215 nan 8.290 nan 0.000 0.416 364 Q N 0.038 119.844 119.800 0.010 0.000 2.172 364 Q HA 0.090 4.430 4.340 -0.000 0.000 0.200 364 Q C 2.134 178.136 176.000 0.002 0.000 0.964 364 Q CA 1.606 57.410 55.803 0.001 0.000 0.855 364 Q CB -0.439 28.295 28.738 -0.006 0.000 0.918 364 Q HN 0.554 nan 8.270 nan 0.000 0.444 365 A N 0.035 122.865 122.820 0.018 0.000 2.014 365 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 365 A C 1.821 179.450 177.584 0.074 0.000 1.163 365 A CA 0.815 52.872 52.037 0.034 0.000 0.652 365 A CB -0.284 18.743 19.000 0.045 0.000 0.808 365 A HN 0.332 nan 8.150 nan 0.000 0.449 366 L N -1.280 119.988 121.223 0.075 0.000 2.446 366 L HA 0.067 4.406 4.340 -0.000 0.000 0.219 366 L C 2.510 179.434 176.870 0.090 0.000 1.116 366 L CA 0.578 55.486 54.840 0.114 0.000 0.844 366 L CB -0.166 41.948 42.059 0.092 0.000 0.970 366 L HN 0.477 nan 8.230 nan 0.000 0.457 367 G N -0.202 108.620 108.800 0.038 0.000 2.484 367 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.218 367 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.218 367 G C 1.569 176.454 174.900 -0.025 0.000 1.130 367 G CA 0.075 45.184 45.100 0.016 0.000 0.784 367 G HN 0.189 nan 8.290 nan 0.000 0.543 368 L N 0.108 121.274 121.223 -0.094 0.000 2.079 368 L HA -0.089 4.250 4.340 -0.000 0.000 0.210 368 L C 1.788 178.453 176.870 -0.341 0.000 1.081 368 L CA 0.905 55.591 54.840 -0.257 0.000 0.752 368 L CB -0.255 41.551 42.059 -0.421 0.000 0.896 368 L HN 0.317 nan 8.230 nan 0.000 0.433 369 H N -0.676 118.414 119.070 0.034 0.000 2.524 369 H HA 0.170 4.726 4.556 -0.000 0.000 0.299 369 H C 1.742 177.093 175.328 0.039 0.000 1.074 369 H CA 0.014 56.085 56.048 0.038 0.000 1.115 369 H CB 0.369 30.160 29.762 0.049 0.000 1.522 369 H HN 0.353 nan 8.280 nan 0.000 0.543 370 L N 0.577 121.854 121.223 0.089 0.000 2.291 370 L HA -0.055 4.285 4.340 -0.000 0.000 0.214 370 L C 1.509 178.415 176.870 0.060 0.000 1.120 370 L CA 1.319 56.204 54.840 0.075 0.000 0.799 370 L CB 0.045 42.132 42.059 0.047 0.000 0.925 370 L HN 0.218 nan 8.230 nan 0.000 0.446 371 T N -4.835 109.748 114.554 0.048 0.000 3.248 371 T HA 0.235 4.585 4.350 -0.000 0.000 0.271 371 T C -0.062 174.665 174.700 0.045 0.000 1.005 371 T CA -0.638 61.484 62.100 0.037 0.000 0.902 371 T CB -0.179 68.701 68.868 0.020 0.000 1.102 371 T HN -0.070 nan 8.240 nan 0.000 0.548 372 D N 2.549 122.991 120.400 0.070 0.000 2.312 372 D HA 0.338 4.978 4.640 -0.000 0.000 0.248 372 D C -1.384 174.941 176.300 0.042 0.000 1.086 372 D CA -2.041 52.001 54.000 0.071 0.000 0.948 372 D CB 1.104 41.975 40.800 0.118 0.000 1.162 372 D HN -0.042 nan 8.370 nan 0.000 0.446 373 P HA -0.041 nan 4.420 nan 0.000 0.225 373 P C -0.036 177.258 177.300 -0.010 0.000 1.148 373 P CA 0.646 63.749 63.100 0.005 0.000 0.779 373 P CB 0.300 31.999 31.700 -0.002 0.000 0.780 374 S N -0.202 115.492 115.700 -0.011 0.000 2.481 374 S HA 0.064 4.534 4.470 -0.000 0.000 0.276 374 S C 1.240 175.830 174.600 -0.017 0.000 1.247 374 S CA -0.366 57.811 58.200 -0.038 0.000 1.053 374 S CB 0.271 63.439 63.200 -0.054 0.000 0.925 374 S HN 0.084 nan 8.310 nan 0.000 0.491 375 Q N 3.596 123.376 119.800 -0.034 0.000 2.079 375 Q HA -0.132 4.207 4.340 -0.000 0.000 0.200 375 Q C 2.300 178.307 176.000 0.011 0.000 0.974 375 Q CA 1.382 57.180 55.803 -0.008 0.000 0.840 375 Q CB -0.066 28.661 28.738 -0.019 0.000 0.898 375 Q HN 0.863 nan 8.270 nan 0.000 0.430 376 R N 0.147 120.629 120.500 -0.031 0.000 2.115 376 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 376 R C 2.071 178.459 176.300 0.147 0.000 1.100 376 R CA 0.961 57.077 56.100 0.027 0.000 0.980 376 R CB -0.504 29.716 30.300 -0.132 0.000 0.875 376 R HN 0.126 nan 8.270 nan 0.000 0.445 377 L N 1.387 122.675 121.223 0.108 0.000 2.156 377 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 377 L C 1.985 178.934 176.870 0.131 0.000 1.095 377 L CA 1.233 56.168 54.840 0.159 0.000 0.770 377 L CB 0.028 42.138 42.059 0.086 0.000 0.914 377 L HN 0.030 nan 8.230 nan 0.000 0.439 378 V N -0.626 119.352 119.914 0.106 0.000 3.141 378 V HA -0.153 3.967 4.120 -0.000 0.000 0.265 378 V C 2.283 178.457 176.094 0.132 0.000 1.126 378 V CA 1.283 63.649 62.300 0.110 0.000 1.141 378 V CB -0.240 31.633 31.823 0.083 0.000 0.743 378 V HN 0.517 nan 8.190 nan 0.000 0.492 379 Q N 0.347 120.237 119.800 0.151 0.000 2.200 379 Q HA 0.039 4.378 4.340 -0.000 0.000 0.197 379 Q C 2.011 178.162 176.000 0.252 0.000 0.953 379 Q CA 1.132 57.060 55.803 0.208 0.000 0.851 379 Q CB -0.176 28.676 28.738 0.189 0.000 0.938 379 Q HN 0.466 nan 8.270 nan 0.000 0.488 380 N N -0.604 118.191 118.700 0.158 0.000 2.453 380 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 380 N C 1.295 176.890 175.510 0.141 0.000 1.041 380 N CA 0.772 53.874 53.050 0.088 0.000 0.900 380 N CB -0.236 38.259 38.487 0.014 0.000 0.961 380 N HN 0.294 nan 8.380 nan 0.000 0.443 381 C N 0.207 119.600 119.300 0.155 0.000 2.486 381 C HA 0.131 4.591 4.460 -0.000 0.000 0.279 381 C C 2.668 177.753 174.990 0.159 0.000 1.302 381 C CA -0.051 59.053 59.018 0.142 0.000 1.720 381 C CB -0.887 26.935 27.740 0.137 0.000 2.030 381 C HN 0.382 nan 8.230 nan 0.000 0.490 382 L N -0.937 120.398 121.223 0.186 0.000 1.950 382 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 382 L C 2.427 179.408 176.870 0.184 0.000 1.079 382 L CA 1.818 56.749 54.840 0.153 0.000 0.754 382 L CB -0.912 41.223 42.059 0.127 0.000 0.889 382 L HN 0.394 nan 8.230 nan 0.000 0.433 383 W N 0.709 122.028 121.300 0.033 0.000 2.297 383 W HA -0.370 4.290 4.660 -0.000 0.000 0.343 383 W C 2.759 179.294 176.519 0.026 0.000 1.393 383 W CA 2.525 59.887 57.345 0.029 0.000 1.240 383 W CB -1.580 27.898 29.460 0.030 0.000 1.092 383 W HN 0.172 nan 8.180 nan 0.000 0.476 384 T N 0.989 115.752 114.554 0.350 0.000 2.656 384 T HA -0.336 4.014 4.350 -0.000 0.000 0.262 384 T C 1.779 176.555 174.700 0.127 0.000 1.070 384 T CA 2.433 64.648 62.100 0.192 0.000 1.160 384 T CB -1.006 67.944 68.868 0.138 0.000 0.855 384 T HN 0.140 nan 8.240 nan 0.000 0.456 385 L N 0.131 121.420 121.223 0.110 0.000 2.131 385 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 385 L C 2.841 179.737 176.870 0.043 0.000 1.092 385 L CA 1.244 56.124 54.840 0.068 0.000 0.759 385 L CB -0.393 41.702 42.059 0.060 0.000 0.903 385 L HN 0.187 nan 8.230 nan 0.000 0.435 386 R N -0.144 120.375 120.500 0.032 0.000 2.153 386 R HA -0.099 4.241 4.340 -0.000 0.000 0.218 386 R C 1.902 178.206 176.300 0.007 0.000 1.072 386 R CA 0.990 57.082 56.100 -0.012 0.000 0.990 386 R CB 0.078 30.323 30.300 -0.091 0.000 0.889 386 R HN 0.306 nan 8.270 nan 0.000 0.452 387 N N 0.258 118.987 118.700 0.048 0.000 2.216 387 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 387 N C 1.543 177.080 175.510 0.045 0.000 1.017 387 N CA 1.025 54.111 53.050 0.061 0.000 0.861 387 N CB 0.033 38.586 38.487 0.110 0.000 0.986 387 N HN 0.184 nan 8.380 nan 0.000 0.428 388 L N 0.265 121.514 121.223 0.044 0.000 2.179 388 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 388 L C 2.246 179.129 176.870 0.023 0.000 1.096 388 L CA 0.781 55.641 54.840 0.033 0.000 0.779 388 L CB -0.732 41.348 42.059 0.034 0.000 0.922 388 L HN 0.199 nan 8.230 nan 0.000 0.443 389 S N 0.873 116.586 115.700 0.021 0.000 2.414 389 S HA -0.315 4.155 4.470 -0.000 0.000 0.241 389 S C 1.556 176.163 174.600 0.012 0.000 1.079 389 S CA 1.859 60.068 58.200 0.015 0.000 1.087 389 S CB -0.977 62.230 63.200 0.011 0.000 0.927 389 S HN 0.698 nan 8.310 nan 0.000 0.456 390 D N 1.778 122.186 120.400 0.013 0.000 2.390 390 D HA 0.164 4.804 4.640 -0.000 0.000 0.235 390 D C 0.876 177.180 176.300 0.008 0.000 1.040 390 D CA 0.850 54.857 54.000 0.011 0.000 0.923 390 D CB -0.287 40.520 40.800 0.012 0.000 0.886 390 D HN 0.703 nan 8.370 nan 0.000 0.532 391 A N -0.865 121.960 122.820 0.007 0.000 2.596 391 A HA 0.621 4.941 4.320 -0.000 0.000 0.276 391 A C 1.072 178.658 177.584 0.002 0.000 0.962 391 A CA 0.105 52.145 52.037 0.004 0.000 1.010 391 A CB 0.527 19.531 19.000 0.007 0.000 1.220 391 A HN 0.240 nan 8.150 nan 0.000 0.549 392 A N -0.000 122.820 122.820 0.001 0.000 2.589 392 A HA 0.361 4.681 4.320 -0.000 0.000 0.283 392 A C 1.407 178.985 177.584 -0.011 0.000 1.187 392 A CA 0.968 53.003 52.037 -0.003 0.000 0.957 392 A CB -0.868 18.133 19.000 0.001 0.000 1.175 392 A HN 0.671 nan 8.150 nan 0.000 0.532 393 T N -2.321 112.226 114.554 -0.012 0.000 3.427 393 T HA 0.095 4.444 4.350 -0.000 0.000 0.256 393 T C 0.834 175.516 174.700 -0.029 0.000 1.172 393 T CA 1.144 63.232 62.100 -0.020 0.000 1.018 393 T CB -0.445 68.410 68.868 -0.021 0.000 0.981 393 T HN 0.464 nan 8.240 nan 0.000 0.555 394 K N -0.599 119.784 120.400 -0.028 0.000 2.585 394 K HA 0.160 4.480 4.320 -0.000 0.000 0.210 394 K C 0.064 176.642 176.600 -0.037 0.000 1.294 394 K CA -0.396 55.870 56.287 -0.035 0.000 1.025 394 K CB 0.706 33.192 32.500 -0.024 0.000 1.076 394 K HN 0.194 nan 8.250 nan 0.000 0.613 395 Q N 2.004 121.785 119.800 -0.032 0.000 2.337 395 Q HA 0.069 4.409 4.340 -0.000 0.000 0.270 395 Q C 0.085 176.060 176.000 -0.043 0.000 1.002 395 Q CA 0.694 56.478 55.803 -0.030 0.000 0.888 395 Q CB 0.842 29.567 28.738 -0.021 0.000 1.222 395 Q HN 0.135 nan 8.270 nan 0.000 0.400 396 E N 0.022 120.197 120.200 -0.041 0.000 2.369 396 E HA 0.196 4.546 4.350 -0.000 0.000 0.255 396 E C 0.394 176.969 176.600 -0.041 0.000 1.172 396 E CA 0.091 56.461 56.400 -0.050 0.000 0.932 396 E CB 0.497 30.172 29.700 -0.042 0.000 1.040 396 E HN 0.838 nan 8.360 nan 0.000 0.454 397 G N 1.651 110.425 108.800 -0.044 0.000 2.366 397 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.299 397 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.299 397 G C 0.507 175.389 174.900 -0.031 0.000 1.020 397 G CA 0.402 45.481 45.100 -0.034 0.000 1.026 397 G HN 0.226 nan 8.290 nan 0.000 0.512 398 M N -0.880 118.698 119.600 -0.037 0.000 2.356 398 M HA 0.181 4.661 4.480 -0.000 0.000 0.262 398 M C 1.697 177.980 176.300 -0.030 0.000 1.097 398 M CA 0.255 55.537 55.300 -0.030 0.000 0.991 398 M CB 0.168 32.749 32.600 -0.032 0.000 1.450 398 M HN 0.307 nan 8.290 nan 0.000 0.495 399 E N 0.460 120.640 120.200 -0.033 0.000 2.338 399 E HA -0.045 4.305 4.350 -0.000 0.000 0.197 399 E C 2.043 178.630 176.600 -0.021 0.000 1.007 399 E CA 1.185 57.567 56.400 -0.029 0.000 0.849 399 E CB -0.220 29.462 29.700 -0.030 0.000 0.774 399 E HN 0.575 nan 8.360 nan 0.000 0.506 400 G N 0.480 109.268 108.800 -0.020 0.000 2.408 400 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.213 400 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.213 400 G C 1.453 176.345 174.900 -0.015 0.000 1.177 400 G CA 0.250 45.340 45.100 -0.017 0.000 0.802 400 G HN 0.225 nan 8.290 nan 0.000 0.533 401 L N 0.652 121.867 121.223 -0.014 0.000 2.046 401 L HA 0.155 4.495 4.340 -0.000 0.000 0.208 401 L C 2.592 179.458 176.870 -0.007 0.000 1.077 401 L CA 1.296 56.130 54.840 -0.009 0.000 0.747 401 L CB -0.388 41.667 42.059 -0.006 0.000 0.896 401 L HN 0.162 nan 8.230 nan 0.000 0.432 402 L N -0.685 120.532 121.223 -0.011 0.000 2.191 402 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 402 L C 2.430 179.295 176.870 -0.008 0.000 1.103 402 L CA 1.072 55.906 54.840 -0.010 0.000 0.769 402 L CB -1.232 40.818 42.059 -0.015 0.000 0.908 402 L HN 0.495 nan 8.230 nan 0.000 0.438 403 G N -0.794 108.001 108.800 -0.009 0.000 2.414 403 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 403 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 403 G C 1.542 176.439 174.900 -0.005 0.000 1.188 403 G CA 1.160 46.256 45.100 -0.007 0.000 0.783 403 G HN 0.249 nan 8.290 nan 0.000 0.537 404 T N 1.664 116.216 114.554 -0.004 0.000 2.652 404 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 404 T C 2.443 177.144 174.700 0.001 0.000 1.039 404 T CA 1.198 63.297 62.100 -0.002 0.000 1.153 404 T CB -0.365 68.503 68.868 -0.001 0.000 0.863 404 T HN 0.136 nan 8.240 nan 0.000 0.428 405 L N 0.807 122.031 121.223 0.001 0.000 2.051 405 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 405 L C 2.664 179.533 176.870 -0.001 0.000 1.076 405 L CA 1.112 55.953 54.840 0.002 0.000 0.758 405 L CB -0.884 41.175 42.059 0.001 0.000 0.890 405 L HN 0.178 nan 8.230 nan 0.000 0.433 406 V N -0.711 119.201 119.914 -0.003 0.000 2.261 406 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 406 V C 2.447 178.537 176.094 -0.006 0.000 1.047 406 V CA 1.831 64.128 62.300 -0.006 0.000 1.015 406 V CB -0.649 31.170 31.823 -0.007 0.000 0.642 406 V HN 0.499 nan 8.190 nan 0.000 0.446 407 Q N -0.480 119.317 119.800 -0.004 0.000 2.135 407 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 407 Q C 2.299 178.298 176.000 -0.002 0.000 0.981 407 Q CA 1.504 57.305 55.803 -0.004 0.000 0.856 407 Q CB -0.292 28.445 28.738 -0.002 0.000 0.902 407 Q HN 0.564 nan 8.270 nan 0.000 0.425 408 L N 0.470 121.693 121.223 0.001 0.000 2.265 408 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 408 L C 2.169 179.039 176.870 0.001 0.000 1.117 408 L CA 0.617 55.459 54.840 0.004 0.000 0.782 408 L CB -0.411 41.653 42.059 0.008 0.000 0.914 408 L HN 0.307 nan 8.230 nan 0.000 0.441 409 L N -0.168 121.053 121.223 -0.004 0.000 2.129 409 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 409 L C 1.478 178.345 176.870 -0.006 0.000 1.087 409 L CA 0.874 55.709 54.840 -0.007 0.000 0.757 409 L CB -0.784 41.268 42.059 -0.011 0.000 0.896 409 L HN 0.283 nan 8.230 nan 0.000 0.434 410 G N -0.342 108.454 108.800 -0.006 0.000 2.807 410 G HA2 0.352 4.311 3.960 -0.000 0.000 0.316 410 G HA3 0.352 4.311 3.960 -0.000 0.000 0.316 410 G C -0.435 174.465 174.900 -0.001 0.000 0.900 410 G CA 0.025 45.122 45.100 -0.005 0.000 1.499 410 G HN 0.086 nan 8.290 nan 0.000 0.484 411 S N 0.645 116.346 115.700 0.000 0.000 2.618 411 S HA 0.401 4.871 4.470 -0.000 0.000 0.277 411 S C 0.744 175.346 174.600 0.004 0.000 1.138 411 S CA -0.336 57.867 58.200 0.004 0.000 0.844 411 S CB 1.678 64.883 63.200 0.008 0.000 1.127 411 S HN 0.502 nan 8.310 nan 0.000 0.474 412 D N 0.685 121.088 120.400 0.006 0.000 2.305 412 D HA -0.035 4.605 4.640 -0.000 0.000 0.206 412 D C -0.064 176.241 176.300 0.008 0.000 0.974 412 D CA 0.148 54.151 54.000 0.005 0.000 0.871 412 D CB -0.202 40.601 40.800 0.004 0.000 0.947 412 D HN 0.469 nan 8.370 nan 0.000 0.516 413 D N 1.192 121.600 120.400 0.012 0.000 2.339 413 D HA 0.061 4.701 4.640 -0.000 0.000 0.241 413 D C 1.029 177.339 176.300 0.016 0.000 1.183 413 D CA -0.377 53.634 54.000 0.018 0.000 0.859 413 D CB 1.332 42.148 40.800 0.025 0.000 1.067 413 D HN 0.073 nan 8.370 nan 0.000 0.484 414 I N 4.215 124.794 120.570 0.015 0.000 2.614 414 I HA -0.217 3.953 4.170 -0.000 0.000 0.258 414 I C 1.319 177.443 176.117 0.011 0.000 1.189 414 I CA 0.553 61.859 61.300 0.010 0.000 1.462 414 I CB 0.200 38.206 38.000 0.009 0.000 1.092 414 I HN 0.280 nan 8.210 nan 0.000 0.442 415 N N 0.285 118.998 118.700 0.023 0.000 2.331 415 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 415 N C 1.738 177.259 175.510 0.019 0.000 1.019 415 N CA 1.140 54.207 53.050 0.028 0.000 0.881 415 N CB -0.105 38.420 38.487 0.065 0.000 0.972 415 N HN 0.280 nan 8.380 nan 0.000 0.435 416 V N 0.501 120.429 119.914 0.025 0.000 2.719 416 V HA -0.053 4.067 4.120 -0.000 0.000 0.252 416 V C 2.309 178.405 176.094 0.004 0.000 1.065 416 V CA 0.695 63.008 62.300 0.023 0.000 1.086 416 V CB -0.150 31.690 31.823 0.029 0.000 0.700 416 V HN 0.020 nan 8.190 nan 0.000 0.467 417 V N -0.027 119.886 119.914 -0.001 0.000 2.323 417 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 417 V C 2.589 178.670 176.094 -0.021 0.000 1.041 417 V CA 2.499 64.794 62.300 -0.009 0.000 1.025 417 V CB -0.900 30.919 31.823 -0.007 0.000 0.656 417 V HN 0.571 nan 8.190 nan 0.000 0.451 418 T N -0.970 113.568 114.554 -0.028 0.000 2.720 418 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 418 T C 1.952 176.608 174.700 -0.073 0.000 1.037 418 T CA 2.009 64.081 62.100 -0.048 0.000 1.144 418 T CB -0.527 68.308 68.868 -0.054 0.000 0.864 418 T HN 0.499 nan 8.240 nan 0.000 0.444 419 C N 1.377 120.628 119.300 -0.082 0.000 2.457 419 C HA 0.198 4.658 4.460 -0.000 0.000 0.278 419 C C 3.238 178.192 174.990 -0.060 0.000 1.309 419 C CA 0.250 59.204 59.018 -0.106 0.000 1.735 419 C CB -1.345 26.332 27.740 -0.106 0.000 1.992 419 C HN 0.663 nan 8.230 nan 0.000 0.493 420 A N 0.367 123.168 122.820 -0.033 0.000 1.969 420 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 420 A C 2.310 179.881 177.584 -0.022 0.000 1.169 420 A CA 1.829 53.855 52.037 -0.018 0.000 0.635 420 A CB -0.706 18.289 19.000 -0.008 0.000 0.810 420 A HN 0.547 nan 8.150 nan 0.000 0.445 421 A N -0.189 122.613 122.820 -0.029 0.000 1.851 421 A HA 0.085 4.404 4.320 -0.000 0.000 0.216 421 A C 2.457 180.023 177.584 -0.030 0.000 1.195 421 A CA 2.016 54.036 52.037 -0.029 0.000 0.622 421 A CB -1.521 17.460 19.000 -0.032 0.000 0.831 421 A HN 0.748 nan 8.150 nan 0.000 0.444 422 G N -0.166 108.610 108.800 -0.039 0.000 2.442 422 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 422 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 422 G C 1.530 176.420 174.900 -0.016 0.000 1.141 422 G CA 1.130 46.210 45.100 -0.034 0.000 0.763 422 G HN 0.487 nan 8.290 nan 0.000 0.554 423 I N 0.242 120.801 120.570 -0.018 0.000 2.179 423 I HA -0.150 4.019 4.170 -0.000 0.000 0.242 423 I C 2.722 178.844 176.117 0.009 0.000 1.088 423 I CA 0.803 62.101 61.300 -0.004 0.000 1.357 423 I CB -0.258 37.740 38.000 -0.004 0.000 1.051 423 I HN 0.130 nan 8.210 nan 0.000 0.409 424 L N -0.091 121.135 121.223 0.004 0.000 2.131 424 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 424 L C 2.751 179.640 176.870 0.032 0.000 1.092 424 L CA 1.239 56.087 54.840 0.012 0.000 0.759 424 L CB -0.461 41.599 42.059 0.001 0.000 0.903 424 L HN 0.268 nan 8.230 nan 0.000 0.435 425 S N -0.014 115.700 115.700 0.023 0.000 2.368 425 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 425 S C 1.827 176.519 174.600 0.153 0.000 1.030 425 S CA 1.566 59.791 58.200 0.042 0.000 0.999 425 S CB -0.100 63.097 63.200 -0.006 0.000 0.844 425 S HN 0.430 nan 8.310 nan 0.000 0.459 426 N N 1.302 120.057 118.700 0.093 0.000 2.173 426 N HA 0.139 4.878 4.740 -0.000 0.000 0.184 426 N C 1.571 177.115 175.510 0.056 0.000 1.025 426 N CA 0.958 54.057 53.050 0.081 0.000 0.852 426 N CB -0.574 37.938 38.487 0.041 0.000 0.998 426 N HN 0.387 nan 8.380 nan 0.000 0.427 427 L N 0.348 121.595 121.223 0.041 0.000 2.633 427 L HA -0.022 4.318 4.340 -0.000 0.000 0.235 427 L C 1.025 177.909 176.870 0.022 0.000 1.163 427 L CA 0.718 55.569 54.840 0.018 0.000 0.859 427 L CB -0.292 41.771 42.059 0.008 0.000 0.973 427 L HN 0.088 nan 8.230 nan 0.000 0.451 428 T N -1.699 112.899 114.554 0.073 0.000 3.086 428 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 428 T C 0.720 175.438 174.700 0.029 0.000 1.074 428 T CA -0.116 62.042 62.100 0.097 0.000 0.988 428 T CB -0.164 68.823 68.868 0.198 0.000 0.988 428 T HN 0.235 nan 8.240 nan 0.000 0.530 429 C N 3.823 123.084 119.300 -0.066 0.000 2.540 429 C HA 0.226 4.686 4.460 -0.000 0.000 0.377 429 C C 0.966 175.887 174.990 -0.116 0.000 1.274 429 C CA -1.091 57.790 59.018 -0.228 0.000 1.718 429 C CB -1.475 26.142 27.740 -0.204 0.000 2.391 429 C HN 0.603 nan 8.230 nan 0.000 0.565 430 N N 1.928 120.570 118.700 -0.097 0.000 2.714 430 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 430 N C -0.499 175.011 175.510 0.001 0.000 1.117 430 N CA 0.828 53.863 53.050 -0.026 0.000 0.719 430 N CB -1.038 37.432 38.487 -0.028 0.000 1.081 430 N HN 0.836 nan 8.380 nan 0.000 0.557 431 N N 0.531 119.224 118.700 -0.013 0.000 2.626 431 N HA 0.093 4.833 4.740 -0.000 0.000 0.249 431 N C 1.075 176.553 175.510 -0.053 0.000 1.021 431 N CA -0.450 52.570 53.050 -0.051 0.000 0.886 431 N CB 0.470 38.905 38.487 -0.086 0.000 1.149 431 N HN 0.215 nan 8.380 nan 0.000 0.517 432 Y N 3.471 123.744 120.300 -0.044 0.000 2.256 432 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 432 Y C 1.464 177.297 175.900 -0.112 0.000 1.155 432 Y CA 1.325 59.379 58.100 -0.078 0.000 1.203 432 Y CB -0.040 38.415 38.460 -0.007 0.000 0.980 432 Y HN 0.289 nan 8.280 nan 0.000 0.530 433 K N 0.202 120.274 120.400 -0.547 0.000 2.062 433 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 433 K C 1.153 177.639 176.600 -0.190 0.000 1.051 433 K CA 1.074 57.134 56.287 -0.378 0.000 0.941 433 K CB -0.174 32.050 32.500 -0.461 0.000 0.719 433 K HN 0.256 nan 8.250 nan 0.000 0.440 434 N N 1.146 119.743 118.700 -0.172 0.000 2.485 434 N HA -0.017 4.723 4.740 -0.000 0.000 0.199 434 N C 0.617 176.075 175.510 -0.086 0.000 1.236 434 N CA 0.677 53.664 53.050 -0.104 0.000 0.852 434 N CB 0.413 38.852 38.487 -0.080 0.000 1.018 434 N HN 0.227 nan 8.380 nan 0.000 0.457 435 K N -0.630 119.691 120.400 -0.132 0.000 2.362 435 K HA 0.278 4.598 4.320 -0.000 0.000 0.203 435 K C 1.745 178.233 176.600 -0.187 0.000 1.198 435 K CA 0.020 56.204 56.287 -0.170 0.000 0.908 435 K CB 0.244 32.555 32.500 -0.315 0.000 1.236 435 K HN 0.013 nan 8.250 nan 0.000 0.487 436 M N 0.651 120.121 119.600 -0.216 0.000 2.080 436 M HA -0.177 4.302 4.480 -0.000 0.000 0.260 436 M C 2.399 178.679 176.300 -0.034 0.000 1.068 436 M CA 1.546 56.788 55.300 -0.097 0.000 1.109 436 M CB -0.350 32.235 32.600 -0.025 0.000 1.342 436 M HN 0.140 nan 8.290 nan 0.000 0.405 437 M N 0.803 120.378 119.600 -0.041 0.000 2.073 437 M HA -0.160 4.320 4.480 -0.000 0.000 0.258 437 M C 1.939 178.230 176.300 -0.014 0.000 1.070 437 M CA 1.852 57.138 55.300 -0.024 0.000 1.103 437 M CB -0.721 31.859 32.600 -0.034 0.000 1.321 437 M HN 0.043 nan 8.290 nan 0.000 0.405 438 V N -0.778 119.125 119.914 -0.018 0.000 2.469 438 V HA -0.354 3.766 4.120 -0.000 0.000 0.251 438 V C 2.521 178.620 176.094 0.009 0.000 1.064 438 V CA 1.931 64.228 62.300 -0.005 0.000 1.066 438 V CB -1.039 30.783 31.823 -0.002 0.000 0.667 438 V HN 0.687 nan 8.190 nan 0.000 0.461 439 C N -0.788 118.521 119.300 0.016 0.000 2.446 439 C HA -0.155 4.304 4.460 -0.000 0.000 0.277 439 C C 2.807 177.819 174.990 0.037 0.000 1.275 439 C CA 0.869 59.911 59.018 0.041 0.000 1.727 439 C CB -0.953 26.827 27.740 0.067 0.000 2.010 439 C HN 0.595 nan 8.230 nan 0.000 0.486 440 Q N 0.349 120.165 119.800 0.026 0.000 2.167 440 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 440 Q C 1.840 177.852 176.000 0.019 0.000 0.970 440 Q CA 1.644 57.462 55.803 0.025 0.000 0.855 440 Q CB -0.149 28.600 28.738 0.018 0.000 0.911 440 Q HN 0.747 nan 8.270 nan 0.000 0.438 441 V N -2.927 116.994 119.914 0.013 0.000 3.415 441 V HA 0.409 4.529 4.120 -0.000 0.000 0.325 441 V C 0.751 176.848 176.094 0.005 0.000 1.313 441 V CA 0.372 62.677 62.300 0.007 0.000 1.228 441 V CB -0.596 31.228 31.823 0.001 0.000 1.131 441 V HN 0.347 nan 8.190 nan 0.000 0.433 442 G N 0.123 108.930 108.800 0.013 0.000 2.298 442 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.287 442 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.287 442 G C 0.827 175.720 174.900 -0.012 0.000 1.075 442 G CA 0.338 45.440 45.100 0.003 0.000 0.960 442 G HN 1.143 nan 8.290 nan 0.000 0.502 443 G N -0.180 108.622 108.800 0.003 0.000 2.403 443 G HA2 0.050 4.010 3.960 -0.000 0.000 0.216 443 G HA3 0.050 4.010 3.960 -0.000 0.000 0.216 443 G C 1.763 176.661 174.900 -0.003 0.000 1.154 443 G CA 1.218 46.317 45.100 -0.001 0.000 0.784 443 G HN 0.496 nan 8.290 nan 0.000 0.538 444 I N 1.249 121.829 120.570 0.017 0.000 2.127 444 I HA -0.166 4.003 4.170 -0.000 0.000 0.241 444 I C 2.493 178.599 176.117 -0.017 0.000 1.075 444 I CA 1.556 62.875 61.300 0.031 0.000 1.334 444 I CB -1.250 36.806 38.000 0.093 0.000 1.040 444 I HN 0.363 nan 8.210 nan 0.000 0.405 445 E N 1.098 121.225 120.200 -0.121 0.000 2.085 445 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 445 E C 2.280 178.783 176.600 -0.161 0.000 0.994 445 E CA 1.633 57.833 56.400 -0.333 0.000 0.801 445 E CB 0.061 29.395 29.700 -0.611 0.000 0.743 445 E HN 0.447 nan 8.360 nan 0.000 0.453 446 A N 1.056 123.816 122.820 -0.100 0.000 1.858 446 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 446 A C 2.240 179.802 177.584 -0.037 0.000 1.190 446 A CA 1.311 53.313 52.037 -0.058 0.000 0.617 446 A CB -0.749 18.227 19.000 -0.040 0.000 0.827 446 A HN 0.316 nan 8.150 nan 0.000 0.443 447 L N -0.436 120.771 121.223 -0.027 0.000 2.083 447 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 447 L C 2.527 179.391 176.870 -0.009 0.000 1.083 447 L CA 1.064 55.894 54.840 -0.016 0.000 0.752 447 L CB -0.590 41.462 42.059 -0.011 0.000 0.899 447 L HN 0.252 nan 8.230 nan 0.000 0.433 448 V N -0.019 119.893 119.914 -0.003 0.000 2.343 448 V HA -0.315 3.804 4.120 -0.000 0.000 0.247 448 V C 2.667 178.768 176.094 0.012 0.000 1.051 448 V CA 2.103 64.412 62.300 0.016 0.000 1.036 448 V CB -0.686 31.163 31.823 0.043 0.000 0.654 448 V HN 0.480 nan 8.190 nan 0.000 0.451 449 R N -0.098 120.401 120.500 -0.002 0.000 2.120 449 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 449 R C 2.248 178.546 176.300 -0.004 0.000 1.123 449 R CA 2.075 58.174 56.100 -0.002 0.000 0.975 449 R CB -0.495 29.796 30.300 -0.016 0.000 0.866 449 R HN 0.539 nan 8.270 nan 0.000 0.446 450 T N 0.164 114.714 114.554 -0.008 0.000 2.746 450 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 450 T C 1.767 176.463 174.700 -0.005 0.000 1.039 450 T CA 1.532 63.627 62.100 -0.008 0.000 1.142 450 T CB -0.116 68.745 68.868 -0.012 0.000 0.866 450 T HN 0.065 nan 8.240 nan 0.000 0.444 451 V N 1.345 121.257 119.914 -0.003 0.000 2.515 451 V HA -0.081 4.039 4.120 -0.000 0.000 0.250 451 V C 2.438 178.534 176.094 0.003 0.000 1.058 451 V CA 1.194 63.493 62.300 -0.000 0.000 1.064 451 V CB -0.709 31.115 31.823 0.003 0.000 0.675 451 V HN 0.406 nan 8.190 nan 0.000 0.461 452 L N 0.437 121.663 121.223 0.006 0.000 2.017 452 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 452 L C 2.793 179.664 176.870 0.001 0.000 1.073 452 L CA 2.286 57.130 54.840 0.007 0.000 0.745 452 L CB -0.391 41.674 42.059 0.011 0.000 0.894 452 L HN 0.435 nan 8.230 nan 0.000 0.432 453 R N -0.244 120.255 120.500 -0.002 0.000 2.275 453 R HA 0.079 4.419 4.340 -0.000 0.000 0.199 453 R C 1.968 178.265 176.300 -0.004 0.000 0.989 453 R CA 0.915 57.013 56.100 -0.004 0.000 1.016 453 R CB -0.436 29.861 30.300 -0.005 0.000 0.918 453 R HN 0.165 nan 8.270 nan 0.000 0.473 454 A N 1.192 124.010 122.820 -0.004 0.000 2.015 454 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 454 A C 1.665 179.246 177.584 -0.005 0.000 1.163 454 A CA 1.103 53.138 52.037 -0.004 0.000 0.646 454 A CB -0.929 18.068 19.000 -0.005 0.000 0.806 454 A HN 0.694 nan 8.150 nan 0.000 0.448 455 G N 0.372 109.169 108.800 -0.005 0.000 2.561 455 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.289 455 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.289 455 G C 0.363 175.258 174.900 -0.009 0.000 1.169 455 G CA 1.158 46.254 45.100 -0.007 0.000 0.980 455 G HN 1.088 nan 8.290 nan 0.000 0.550 456 D N 0.595 120.988 120.400 -0.012 0.000 2.340 456 D HA 0.224 4.863 4.640 -0.000 0.000 0.217 456 D C 1.120 177.413 176.300 -0.012 0.000 1.081 456 D CA -0.001 53.988 54.000 -0.019 0.000 0.842 456 D CB -0.088 40.696 40.800 -0.026 0.000 0.934 456 D HN 0.602 nan 8.370 nan 0.000 0.511 457 R N 1.170 121.667 120.500 -0.005 0.000 2.351 457 R HA 0.151 4.491 4.340 -0.000 0.000 0.321 457 R C 0.286 176.588 176.300 0.003 0.000 1.182 457 R CA -0.002 56.099 56.100 0.001 0.000 1.011 457 R CB 0.208 30.508 30.300 0.000 0.000 1.048 457 R HN 0.310 nan 8.270 nan 0.000 0.490 458 E N 1.517 121.725 120.200 0.012 0.000 2.515 458 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 458 E C 0.514 177.123 176.600 0.016 0.000 1.071 458 E CA 0.711 57.123 56.400 0.020 0.000 0.880 458 E CB 0.189 29.918 29.700 0.048 0.000 0.828 458 E HN 0.612 nan 8.360 nan 0.000 0.540 459 D N -0.203 120.202 120.400 0.007 0.000 2.339 459 D HA -0.016 4.624 4.640 -0.000 0.000 0.217 459 D C 1.446 177.736 176.300 -0.017 0.000 1.050 459 D CA 0.254 54.251 54.000 -0.006 0.000 0.856 459 D CB 0.267 41.061 40.800 -0.011 0.000 0.922 459 D HN 0.294 nan 8.370 nan 0.000 0.518 460 I N 0.596 121.159 120.570 -0.012 0.000 4.033 460 I HA -0.097 4.072 4.170 -0.000 0.000 0.296 460 I C 2.412 178.520 176.117 -0.015 0.000 1.210 460 I CA 0.739 62.029 61.300 -0.017 0.000 1.341 460 I CB 0.108 38.100 38.000 -0.013 0.000 1.369 460 I HN -0.062 nan 8.210 nan 0.000 0.453 461 T N -1.111 113.437 114.554 -0.009 0.000 2.821 461 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 461 T C 1.619 176.313 174.700 -0.009 0.000 1.046 461 T CA 1.512 63.607 62.100 -0.008 0.000 1.139 461 T CB -0.283 68.583 68.868 -0.004 0.000 0.871 461 T HN 0.350 nan 8.240 nan 0.000 0.454 462 E N 2.054 122.251 120.200 -0.004 0.000 2.012 462 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 462 E C -0.499 176.090 176.600 -0.019 0.000 1.007 462 E CA 1.288 57.687 56.400 -0.002 0.000 0.816 462 E CB -0.786 28.920 29.700 0.011 0.000 0.762 462 E HN 0.394 nan 8.360 nan 0.000 0.451 463 P HA -0.198 nan 4.420 nan 0.000 0.215 463 P C 1.032 178.298 177.300 -0.057 0.000 1.157 463 P CA 2.273 65.350 63.100 -0.037 0.000 0.874 463 P CB -0.143 31.536 31.700 -0.034 0.000 0.790 464 A N -0.399 122.394 122.820 -0.044 0.000 1.883 464 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 464 A C 2.155 179.704 177.584 -0.060 0.000 1.186 464 A CA 1.639 53.649 52.037 -0.046 0.000 0.624 464 A CB -1.597 17.386 19.000 -0.028 0.000 0.822 464 A HN 0.053 nan 8.150 nan 0.000 0.444 465 I N -0.117 120.424 120.570 -0.049 0.000 2.361 465 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 465 I C 2.484 178.544 176.117 -0.094 0.000 1.133 465 I CA 1.036 62.307 61.300 -0.049 0.000 1.413 465 I CB -1.625 36.361 38.000 -0.023 0.000 1.073 465 I HN 0.374 nan 8.210 nan 0.000 0.424 466 C N 0.839 120.060 119.300 -0.132 0.000 2.435 466 C HA -0.032 4.428 4.460 -0.000 0.000 0.279 466 C C 3.096 177.755 174.990 -0.553 0.000 1.321 466 C CA 0.796 59.656 59.018 -0.263 0.000 1.752 466 C CB -1.159 26.467 27.740 -0.190 0.000 1.959 466 C HN 0.581 nan 8.230 nan 0.000 0.500 467 A N 0.109 122.729 122.820 -0.332 0.000 1.968 467 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 467 A C 2.036 179.533 177.584 -0.145 0.000 1.169 467 A CA 1.153 53.033 52.037 -0.262 0.000 0.638 467 A CB -0.411 18.524 19.000 -0.109 0.000 0.812 467 A HN 0.621 nan 8.150 nan 0.000 0.446 468 L N -1.434 119.728 121.223 -0.102 0.000 2.270 468 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 468 L C 2.633 179.497 176.870 -0.011 0.000 1.104 468 L CA 0.849 55.671 54.840 -0.029 0.000 0.804 468 L CB -0.350 41.700 42.059 -0.014 0.000 0.937 468 L HN 0.428 nan 8.230 nan 0.000 0.450 469 R N -0.154 120.312 120.500 -0.056 0.000 2.092 469 R HA -0.139 4.200 4.340 -0.000 0.000 0.231 469 R C 2.170 178.546 176.300 0.127 0.000 1.119 469 R CA 1.424 57.533 56.100 0.015 0.000 0.970 469 R CB -0.173 30.127 30.300 0.000 0.000 0.864 469 R HN 0.481 nan 8.270 nan 0.000 0.440 470 H N -0.185 118.913 119.070 0.047 0.000 2.357 470 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 470 H C 2.177 177.561 175.328 0.093 0.000 1.082 470 H CA 1.194 57.278 56.048 0.059 0.000 1.342 470 H CB 0.086 29.876 29.762 0.046 0.000 1.389 470 H HN 0.164 nan 8.280 nan 0.000 0.511 471 L N 0.704 122.053 121.223 0.210 0.000 2.141 471 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 471 L C 1.495 178.497 176.870 0.220 0.000 1.094 471 L CA 1.143 56.110 54.840 0.212 0.000 0.763 471 L CB -0.235 41.907 42.059 0.138 0.000 0.908 471 L HN 0.348 nan 8.230 nan 0.000 0.437 472 T N -3.381 111.245 114.554 0.120 0.000 3.341 472 T HA 0.282 4.632 4.350 -0.000 0.000 0.234 472 T C 0.152 174.864 174.700 0.020 0.000 0.890 472 T CA -0.223 61.906 62.100 0.047 0.000 0.952 472 T CB 0.020 68.903 68.868 0.025 0.000 1.146 472 T HN 0.134 nan 8.240 nan 0.000 0.591 473 S N 1.071 116.791 115.700 0.034 0.000 2.578 473 S HA 0.409 4.878 4.470 -0.000 0.000 0.285 473 S C -0.701 173.936 174.600 0.061 0.000 1.126 473 S CA -0.897 57.315 58.200 0.020 0.000 0.878 473 S CB 0.865 64.103 63.200 0.062 0.000 1.091 473 S HN 0.543 nan 8.310 nan 0.000 0.450 474 R N 2.066 122.566 120.500 0.002 0.000 3.146 474 R HA -0.201 4.139 4.340 -0.000 0.000 0.250 474 R C -0.740 175.645 176.300 0.141 0.000 0.912 474 R CA 1.712 57.839 56.100 0.045 0.000 0.633 474 R CB -2.599 27.745 30.300 0.073 0.000 1.180 474 R HN 1.077 nan 8.270 nan 0.000 0.464 475 H N -4.789 114.286 119.070 0.008 0.000 2.901 475 H HA 0.088 4.644 4.556 -0.000 0.000 0.267 475 H C 0.210 175.534 175.328 -0.008 0.000 1.434 475 H CA -0.571 55.477 56.048 0.001 0.000 1.215 475 H CB 0.199 29.999 29.762 0.063 0.000 1.825 475 H HN -0.051 nan 8.280 nan 0.000 0.470 476 Q N -0.382 119.516 119.800 0.164 0.000 2.308 476 Q HA -0.111 4.229 4.340 -0.000 0.000 0.209 476 Q C 0.335 176.382 176.000 0.078 0.000 0.985 476 Q CA 1.799 57.653 55.803 0.085 0.000 0.881 476 Q CB 0.124 28.911 28.738 0.082 0.000 0.917 476 Q HN 0.581 nan 8.270 nan 0.000 0.443 477 E N -0.967 119.364 120.200 0.218 0.000 2.538 477 E HA 0.152 4.502 4.350 -0.000 0.000 0.207 477 E C 1.236 177.787 176.600 -0.081 0.000 1.002 477 E CA 0.193 56.677 56.400 0.140 0.000 0.952 477 E CB 0.613 30.498 29.700 0.309 0.000 1.031 477 E HN 0.245 nan 8.360 nan 0.000 0.476 478 A N 1.668 124.130 122.820 -0.598 0.000 2.032 478 A HA -0.256 4.064 4.320 -0.000 0.000 0.221 478 A C 2.129 179.602 177.584 -0.184 0.000 1.165 478 A CA 1.821 53.553 52.037 -0.508 0.000 0.645 478 A CB -0.317 18.362 19.000 -0.535 0.000 0.807 478 A HN 0.312 nan 8.150 nan 0.000 0.453 479 E N -0.705 119.415 120.200 -0.133 0.000 2.033 479 E HA -0.175 4.175 4.350 -0.000 0.000 0.189 479 E C 2.050 178.620 176.600 -0.049 0.000 0.979 479 E CA 1.084 57.437 56.400 -0.078 0.000 0.802 479 E CB -0.327 29.335 29.700 -0.064 0.000 0.763 479 E HN 0.576 nan 8.360 nan 0.000 0.449 480 M N 0.867 120.451 119.600 -0.026 0.000 2.106 480 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 480 M C 2.220 178.522 176.300 0.004 0.000 1.068 480 M CA 1.976 57.273 55.300 -0.004 0.000 1.100 480 M CB -0.343 32.273 32.600 0.026 0.000 1.351 480 M HN 0.262 nan 8.290 nan 0.000 0.404 481 A N 0.402 123.234 122.820 0.019 0.000 1.865 481 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 481 A C 1.871 179.459 177.584 0.007 0.000 1.191 481 A CA 2.141 54.201 52.037 0.037 0.000 0.623 481 A CB -0.975 18.063 19.000 0.064 0.000 0.826 481 A HN 0.746 nan 8.150 nan 0.000 0.444 482 Q N -0.502 119.285 119.800 -0.021 0.000 2.135 482 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 482 Q C 1.979 177.949 176.000 -0.051 0.000 0.981 482 Q CA 1.469 57.250 55.803 -0.037 0.000 0.856 482 Q CB -0.225 28.479 28.738 -0.056 0.000 0.902 482 Q HN 0.628 nan 8.270 nan 0.000 0.425 483 N N 0.235 118.900 118.700 -0.058 0.000 2.142 483 N HA -0.092 4.647 4.740 -0.000 0.000 0.186 483 N C 1.690 177.139 175.510 -0.101 0.000 1.023 483 N CA 1.244 54.246 53.050 -0.081 0.000 0.852 483 N CB -0.193 38.248 38.487 -0.077 0.000 0.998 483 N HN 0.233 nan 8.380 nan 0.000 0.424 484 A N 1.000 123.777 122.820 -0.072 0.000 1.908 484 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 484 A C 2.459 180.020 177.584 -0.039 0.000 1.181 484 A CA 1.349 53.337 52.037 -0.083 0.000 0.627 484 A CB -0.857 18.172 19.000 0.049 0.000 0.818 484 A HN 0.106 nan 8.150 nan 0.000 0.445 485 V N -0.005 119.915 119.914 0.010 0.000 2.453 485 V HA -0.293 3.827 4.120 -0.000 0.000 0.252 485 V C 2.604 178.685 176.094 -0.020 0.000 1.068 485 V CA 2.440 64.758 62.300 0.029 0.000 1.070 485 V CB -0.901 30.931 31.823 0.015 0.000 0.664 485 V HN 0.659 nan 8.190 nan 0.000 0.461 486 R N -0.179 120.269 120.500 -0.087 0.000 2.057 486 R HA 0.051 4.391 4.340 -0.000 0.000 0.224 486 R C 2.175 178.316 176.300 -0.264 0.000 1.136 486 R CA 0.901 56.920 56.100 -0.136 0.000 0.968 486 R CB -0.191 30.034 30.300 -0.126 0.000 0.863 486 R HN 0.429 nan 8.270 nan 0.000 0.433 487 L N 0.277 121.307 121.223 -0.323 0.000 2.651 487 L HA -0.130 4.210 4.340 -0.000 0.000 0.236 487 L C 0.614 177.092 176.870 -0.653 0.000 1.173 487 L CA 1.099 55.645 54.840 -0.490 0.000 0.843 487 L CB -0.235 41.541 42.059 -0.471 0.000 0.964 487 L HN 0.355 nan 8.230 nan 0.000 0.454 488 H N -2.641 116.270 119.070 -0.265 0.000 2.510 488 H HA 0.147 4.703 4.556 -0.000 0.000 0.266 488 H C -0.627 174.719 175.328 0.031 0.000 1.146 488 H CA -0.579 55.403 56.048 -0.110 0.000 0.993 488 H CB 0.314 30.079 29.762 0.004 0.000 1.727 488 H HN 0.066 nan 8.280 nan 0.000 0.590 489 Y N -0.696 119.652 120.300 0.080 0.000 3.168 489 Y HA -0.266 4.284 4.550 -0.000 0.000 0.207 489 Y C 1.587 177.515 175.900 0.047 0.000 1.280 489 Y CA 0.529 58.659 58.100 0.049 0.000 1.235 489 Y CB -1.724 36.763 38.460 0.045 0.000 1.370 489 Y HN 0.539 nan 8.280 nan 0.000 0.537 490 G N -0.906 107.960 108.800 0.110 0.000 2.833 490 G HA2 0.123 4.083 3.960 -0.000 0.000 0.210 490 G HA3 0.123 4.083 3.960 -0.000 0.000 0.210 490 G C 1.317 176.251 174.900 0.056 0.000 1.139 490 G CA 0.313 45.465 45.100 0.086 0.000 0.771 490 G HN 0.436 nan 8.290 nan 0.000 0.535 491 L N 0.703 121.950 121.223 0.040 0.000 2.079 491 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 491 L C -0.026 176.868 176.870 0.041 0.000 1.081 491 L CA 1.202 56.059 54.840 0.029 0.000 0.752 491 L CB -1.238 40.829 42.059 0.013 0.000 0.896 491 L HN 0.153 nan 8.230 nan 0.000 0.433 492 P HA -0.173 nan 4.420 nan 0.000 0.213 492 P C 1.989 179.319 177.300 0.050 0.000 1.170 492 P CA 1.127 64.260 63.100 0.054 0.000 0.898 492 P CB 0.031 31.769 31.700 0.062 0.000 0.787 493 V N -0.288 119.655 119.914 0.048 0.000 2.594 493 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 493 V C 2.089 178.204 176.094 0.035 0.000 1.069 493 V CA 1.689 64.013 62.300 0.040 0.000 1.082 493 V CB -0.875 30.970 31.823 0.036 0.000 0.680 493 V HN -0.118 nan 8.190 nan 0.000 0.469 494 V N -0.336 119.598 119.914 0.032 0.000 2.358 494 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 494 V C 2.391 178.497 176.094 0.020 0.000 1.047 494 V CA 2.072 64.386 62.300 0.023 0.000 1.035 494 V CB -0.362 31.473 31.823 0.020 0.000 0.658 494 V HN 0.464 nan 8.190 nan 0.000 0.452 495 V N -0.137 119.795 119.914 0.031 0.000 3.041 495 V HA -0.136 3.984 4.120 -0.000 0.000 0.260 495 V C 2.313 178.442 176.094 0.058 0.000 1.105 495 V CA 1.551 63.868 62.300 0.029 0.000 1.125 495 V CB -0.600 31.251 31.823 0.048 0.000 0.730 495 V HN 0.537 nan 8.190 nan 0.000 0.479 496 K N 0.382 120.836 120.400 0.090 0.000 2.155 496 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 496 K C 1.933 178.607 176.600 0.124 0.000 1.052 496 K CA 1.060 57.443 56.287 0.161 0.000 0.948 496 K CB -0.070 32.483 32.500 0.089 0.000 0.728 496 K HN 0.403 nan 8.250 nan 0.000 0.448 497 L N 1.342 122.588 121.223 0.038 0.000 2.549 497 L HA -0.085 4.255 4.340 -0.000 0.000 0.229 497 L C 1.888 178.730 176.870 -0.046 0.000 1.158 497 L CA 0.267 55.108 54.840 0.001 0.000 0.842 497 L CB -0.106 41.951 42.059 -0.004 0.000 0.952 497 L HN 0.209 nan 8.230 nan 0.000 0.452 498 L N -1.473 119.683 121.223 -0.111 0.000 2.291 498 L HA -0.055 4.285 4.340 -0.000 0.000 0.214 498 L C 1.066 177.760 176.870 -0.293 0.000 1.120 498 L CA 0.239 54.950 54.840 -0.215 0.000 0.799 498 L CB -0.385 41.496 42.059 -0.296 0.000 0.925 498 L HN 0.319 nan 8.230 nan 0.000 0.446 499 H N -0.670 118.367 119.070 -0.056 0.000 2.495 499 H HA 0.302 4.857 4.556 -0.000 0.000 0.350 499 H C -2.003 173.259 175.328 -0.111 0.000 1.202 499 H CA -2.109 53.894 56.048 -0.075 0.000 1.322 499 H CB 0.433 30.162 29.762 -0.054 0.000 1.544 499 H HN -0.182 nan 8.280 nan 0.000 0.565 500 P HA 0.055 nan 4.420 nan 0.000 0.273 500 P C -1.823 175.437 177.300 -0.067 0.000 1.250 500 P CA -1.026 62.017 63.100 -0.094 0.000 0.793 500 P CB -0.058 31.583 31.700 -0.098 0.000 1.011 501 P HA 0.068 nan 4.420 nan 0.000 0.252 501 P C -0.270 176.835 177.300 -0.326 0.000 1.265 501 P CA 0.630 63.615 63.100 -0.192 0.000 0.775 501 P CB -0.156 31.454 31.700 -0.151 0.000 1.128 502 S N -0.017 115.528 115.700 -0.257 0.000 2.572 502 S HA 0.057 4.527 4.470 -0.000 0.000 0.267 502 S C 0.449 174.794 174.600 -0.424 0.000 1.361 502 S CA 0.125 58.157 58.200 -0.280 0.000 1.009 502 S CB 0.135 63.240 63.200 -0.157 0.000 0.888 502 S HN 0.262 nan 8.310 nan 0.000 0.553 503 H N -1.380 117.602 119.070 -0.147 0.000 2.754 503 H HA 0.235 4.791 4.556 -0.000 0.000 0.352 503 H C 0.561 175.798 175.328 -0.150 0.000 1.213 503 H CA -0.974 54.960 56.048 -0.190 0.000 1.244 503 H CB 0.387 30.112 29.762 -0.061 0.000 1.843 503 H HN 0.791 nan 8.280 nan 0.000 0.587 504 W N 0.588 121.985 121.300 0.162 0.000 2.335 504 W HA -0.090 4.570 4.660 -0.000 0.000 0.311 504 W C -0.664 175.890 176.519 0.059 0.000 1.213 504 W CA 0.722 58.115 57.345 0.079 0.000 1.274 504 W CB -1.416 28.077 29.460 0.054 0.000 1.148 504 W HN 0.581 nan 8.180 nan 0.000 0.498 505 P HA -0.230 nan 4.420 nan 0.000 0.216 505 P C 1.667 179.050 177.300 0.139 0.000 1.153 505 P CA 1.451 64.658 63.100 0.178 0.000 0.858 505 P CB -0.253 31.522 31.700 0.125 0.000 0.789 506 L N -1.127 120.172 121.223 0.126 0.000 2.131 506 L HA -0.024 4.315 4.340 -0.000 0.000 0.206 506 L C 2.093 179.006 176.870 0.072 0.000 1.087 506 L CA 1.548 56.435 54.840 0.077 0.000 0.767 506 L CB -0.983 41.107 42.059 0.051 0.000 0.917 506 L HN -0.129 nan 8.230 nan 0.000 0.441 507 I N -0.471 120.156 120.570 0.095 0.000 2.315 507 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 507 I C 2.510 178.707 176.117 0.133 0.000 1.117 507 I CA 1.248 62.603 61.300 0.093 0.000 1.404 507 I CB -0.418 37.644 38.000 0.102 0.000 1.071 507 I HN 0.326 nan 8.210 nan 0.000 0.419 508 K N 1.650 122.154 120.400 0.173 0.000 2.009 508 K HA -0.212 4.107 4.320 -0.000 0.000 0.210 508 K C 2.232 178.886 176.600 0.089 0.000 1.049 508 K CA 1.757 58.125 56.287 0.136 0.000 0.929 508 K CB -0.179 32.397 32.500 0.127 0.000 0.714 508 K HN 0.265 nan 8.250 nan 0.000 0.440 509 A N 0.409 123.274 122.820 0.075 0.000 2.024 509 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 509 A C 2.063 179.670 177.584 0.038 0.000 1.164 509 A CA 2.161 54.229 52.037 0.051 0.000 0.643 509 A CB -0.791 18.230 19.000 0.036 0.000 0.806 509 A HN 0.503 nan 8.150 nan 0.000 0.451 510 T N -0.852 113.725 114.554 0.038 0.000 2.896 510 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 510 T C 1.788 176.506 174.700 0.030 0.000 1.050 510 T CA 1.211 63.326 62.100 0.025 0.000 1.140 510 T CB -0.220 68.656 68.868 0.014 0.000 0.877 510 T HN 0.148 nan 8.240 nan 0.000 0.457 511 V N 1.580 121.520 119.914 0.044 0.000 2.515 511 V HA -0.066 4.054 4.120 -0.000 0.000 0.250 511 V C 2.769 178.891 176.094 0.046 0.000 1.058 511 V CA 1.896 64.224 62.300 0.047 0.000 1.064 511 V CB -1.114 30.748 31.823 0.064 0.000 0.675 511 V HN 0.597 nan 8.190 nan 0.000 0.461 512 G N -0.337 108.492 108.800 0.048 0.000 2.421 512 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 512 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 512 G C 1.522 176.447 174.900 0.041 0.000 1.143 512 G CA 0.859 45.988 45.100 0.049 0.000 0.784 512 G HN 0.457 nan 8.290 nan 0.000 0.541 513 L N 0.775 122.017 121.223 0.032 0.000 2.109 513 L HA 0.210 4.550 4.340 -0.000 0.000 0.207 513 L C 2.476 179.358 176.870 0.020 0.000 1.086 513 L CA 1.165 56.018 54.840 0.023 0.000 0.760 513 L CB -0.418 41.648 42.059 0.012 0.000 0.910 513 L HN 0.236 nan 8.230 nan 0.000 0.437 514 I N -0.689 119.895 120.570 0.022 0.000 2.394 514 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 514 I C 2.684 178.815 176.117 0.022 0.000 1.136 514 I CA 0.944 62.257 61.300 0.021 0.000 1.425 514 I CB -0.377 37.638 38.000 0.025 0.000 1.079 514 I HN 0.335 nan 8.210 nan 0.000 0.425 515 R N 1.323 121.839 120.500 0.028 0.000 2.073 515 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 515 R C 2.086 178.394 176.300 0.012 0.000 1.134 515 R CA 1.771 57.886 56.100 0.026 0.000 0.952 515 R CB -0.145 30.175 30.300 0.033 0.000 0.850 515 R HN 0.383 nan 8.270 nan 0.000 0.433 516 N N 0.991 119.698 118.700 0.012 0.000 2.084 516 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 516 N C 1.995 177.496 175.510 -0.016 0.000 1.030 516 N CA 1.279 54.329 53.050 0.002 0.000 0.849 516 N CB -0.415 38.079 38.487 0.013 0.000 1.012 516 N HN 0.252 nan 8.380 nan 0.000 0.423 517 L N 0.931 122.145 121.223 -0.014 0.000 2.129 517 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 517 L C 2.144 178.978 176.870 -0.060 0.000 1.087 517 L CA 1.041 55.862 54.840 -0.033 0.000 0.757 517 L CB -0.473 41.573 42.059 -0.021 0.000 0.896 517 L HN 0.133 nan 8.230 nan 0.000 0.434 518 A N -0.601 122.197 122.820 -0.037 0.000 2.239 518 A HA 0.007 4.327 4.320 -0.000 0.000 0.209 518 A C 2.084 179.632 177.584 -0.060 0.000 1.171 518 A CA 0.600 52.614 52.037 -0.040 0.000 0.768 518 A CB -0.461 18.565 19.000 0.043 0.000 0.790 518 A HN 0.401 nan 8.150 nan 0.000 0.478 519 L N -1.061 120.126 121.223 -0.060 0.000 2.552 519 L HA -0.000 4.340 4.340 -0.000 0.000 0.227 519 L C 0.895 177.710 176.870 -0.091 0.000 1.146 519 L CA -0.117 54.693 54.840 -0.049 0.000 0.858 519 L CB -0.086 41.949 42.059 -0.041 0.000 0.969 519 L HN 0.525 nan 8.230 nan 0.000 0.451 520 C N 0.276 119.477 119.300 -0.166 0.000 2.281 520 C HA 0.333 4.793 4.460 -0.000 0.000 0.325 520 C C -0.823 173.950 174.990 -0.362 0.000 1.282 520 C CA -1.845 57.064 59.018 -0.183 0.000 1.640 520 C CB 0.956 28.612 27.740 -0.141 0.000 2.288 520 C HN 0.089 nan 8.230 nan 0.000 0.507 521 P HA -0.152 nan 4.420 nan 0.000 0.215 521 P C 1.429 178.581 177.300 -0.246 0.000 1.163 521 P CA 2.530 65.473 63.100 -0.261 0.000 0.894 521 P CB 0.044 31.764 31.700 0.034 0.000 0.791 522 A N -1.049 121.687 122.820 -0.140 0.000 2.285 522 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 522 A C 1.690 179.207 177.584 -0.113 0.000 1.188 522 A CA 1.509 53.490 52.037 -0.092 0.000 0.707 522 A CB -1.089 17.864 19.000 -0.078 0.000 0.771 522 A HN 0.212 nan 8.150 nan 0.000 0.488 523 N N -1.500 117.076 118.700 -0.206 0.000 2.205 523 N HA 0.021 4.761 4.740 -0.000 0.000 0.201 523 N C 0.850 176.301 175.510 -0.098 0.000 1.128 523 N CA 0.052 53.011 53.050 -0.152 0.000 0.867 523 N CB -0.119 38.273 38.487 -0.159 0.000 0.996 523 N HN 0.528 nan 8.380 nan 0.000 0.503 524 H N 1.439 120.511 119.070 0.004 0.000 2.293 524 H HA 0.040 4.595 4.556 -0.000 0.000 0.300 524 H C 1.946 177.287 175.328 0.022 0.000 1.082 524 H CA 1.530 57.588 56.048 0.017 0.000 1.308 524 H CB -0.125 29.654 29.762 0.028 0.000 1.375 524 H HN 0.203 nan 8.280 nan 0.000 0.495 525 A N 1.235 124.140 122.820 0.143 0.000 1.873 525 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 525 A C -0.042 177.562 177.584 0.034 0.000 1.186 525 A CA 1.133 53.211 52.037 0.068 0.000 0.616 525 A CB -1.295 17.726 19.000 0.035 0.000 0.823 525 A HN 0.322 nan 8.150 nan 0.000 0.442 526 P HA -0.152 nan 4.420 nan 0.000 0.215 526 P C 1.486 178.798 177.300 0.020 0.000 1.157 526 P CA 0.903 64.008 63.100 0.009 0.000 0.868 526 P CB -0.154 31.541 31.700 -0.010 0.000 0.788 527 L N -1.158 120.080 121.223 0.026 0.000 2.127 527 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 527 L C 2.808 179.703 176.870 0.043 0.000 1.089 527 L CA 1.384 56.245 54.840 0.034 0.000 0.757 527 L CB -0.510 41.573 42.059 0.040 0.000 0.899 527 L HN -0.070 nan 8.230 nan 0.000 0.434 528 R N 0.518 121.046 120.500 0.048 0.000 2.062 528 R HA -0.177 4.163 4.340 -0.000 0.000 0.231 528 R C 2.084 178.403 176.300 0.033 0.000 1.136 528 R CA 1.687 57.814 56.100 0.045 0.000 0.948 528 R CB -0.109 30.220 30.300 0.048 0.000 0.845 528 R HN 0.409 nan 8.270 nan 0.000 0.430 529 E N 0.072 120.286 120.200 0.022 0.000 2.153 529 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 529 E C 2.028 178.643 176.600 0.025 0.000 0.988 529 E CA 0.771 57.180 56.400 0.016 0.000 0.811 529 E CB 0.024 29.728 29.700 0.007 0.000 0.746 529 E HN 0.355 nan 8.360 nan 0.000 0.466 530 Q N -0.295 119.524 119.800 0.031 0.000 2.369 530 Q HA -0.015 4.325 4.340 -0.000 0.000 0.206 530 Q C 0.886 176.916 176.000 0.050 0.000 0.963 530 Q CA 0.985 56.812 55.803 0.039 0.000 0.894 530 Q CB 0.325 29.088 28.738 0.042 0.000 0.965 530 Q HN 0.396 nan 8.270 nan 0.000 0.475 531 G N 0.352 109.180 108.800 0.047 0.000 2.470 531 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.286 531 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.286 531 G C 0.546 175.484 174.900 0.063 0.000 1.115 531 G CA 0.380 45.512 45.100 0.054 0.000 1.122 531 G HN 0.437 nan 8.290 nan 0.000 0.522 532 A N 0.054 122.904 122.820 0.050 0.000 1.973 532 A HA 0.502 4.822 4.320 -0.000 0.000 0.210 532 A C 2.326 179.933 177.584 0.039 0.000 1.200 532 A CA 1.285 53.345 52.037 0.039 0.000 0.707 532 A CB -0.064 18.957 19.000 0.035 0.000 0.862 532 A HN 0.718 nan 8.150 nan 0.000 0.461 533 I N 1.119 121.718 120.570 0.049 0.000 2.127 533 I HA -0.176 3.994 4.170 -0.000 0.000 0.241 533 I C -0.296 175.849 176.117 0.047 0.000 1.075 533 I CA 1.731 63.063 61.300 0.054 0.000 1.334 533 I CB -1.237 36.799 38.000 0.060 0.000 1.040 533 I HN 0.253 nan 8.210 nan 0.000 0.405 534 P HA -0.202 nan 4.420 nan 0.000 0.216 534 P C 1.468 178.792 177.300 0.039 0.000 1.150 534 P CA 1.639 64.764 63.100 0.042 0.000 0.837 534 P CB -0.115 31.613 31.700 0.046 0.000 0.786 535 R N 0.176 120.699 120.500 0.038 0.000 2.119 535 R HA 0.080 4.420 4.340 -0.000 0.000 0.222 535 R C 2.521 178.817 176.300 -0.008 0.000 1.088 535 R CA 0.944 57.050 56.100 0.010 0.000 0.984 535 R CB -1.638 28.632 30.300 -0.051 0.000 0.884 535 R HN 0.136 nan 8.270 nan 0.000 0.447 536 L N -0.425 120.803 121.223 0.008 0.000 2.017 536 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 536 L C 2.172 179.060 176.870 0.030 0.000 1.073 536 L CA 1.188 56.042 54.840 0.024 0.000 0.745 536 L CB -0.423 41.661 42.059 0.043 0.000 0.894 536 L HN 0.026 nan 8.230 nan 0.000 0.432 537 V N -0.550 119.379 119.914 0.024 0.000 2.343 537 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 537 V C 2.430 178.522 176.094 -0.005 0.000 1.051 537 V CA 1.822 64.121 62.300 -0.002 0.000 1.036 537 V CB -0.560 31.256 31.823 -0.012 0.000 0.654 537 V HN 0.525 nan 8.190 nan 0.000 0.451 538 Q N -0.463 119.345 119.800 0.012 0.000 2.096 538 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 538 Q C 2.268 178.293 176.000 0.043 0.000 0.982 538 Q CA 1.719 57.536 55.803 0.022 0.000 0.850 538 Q CB -0.120 28.636 28.738 0.030 0.000 0.901 538 Q HN 0.602 nan 8.270 nan 0.000 0.422 539 L N 0.217 121.472 121.223 0.053 0.000 2.093 539 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 539 L C 2.436 179.372 176.870 0.110 0.000 1.085 539 L CA 0.326 55.230 54.840 0.107 0.000 0.755 539 L CB -0.417 41.712 42.059 0.115 0.000 0.904 539 L HN 0.318 nan 8.230 nan 0.000 0.435 540 L N -0.301 120.958 121.223 0.059 0.000 2.012 540 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 540 L C 2.389 179.280 176.870 0.036 0.000 1.073 540 L CA 1.735 56.596 54.840 0.034 0.000 0.748 540 L CB -0.435 41.613 42.059 -0.019 0.000 0.891 540 L HN -0.073 nan 8.230 nan 0.000 0.431 541 V N 0.035 119.961 119.914 0.019 0.000 2.233 541 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 541 V C 2.726 178.874 176.094 0.090 0.000 1.050 541 V CA 2.272 64.591 62.300 0.031 0.000 1.010 541 V CB -0.819 31.008 31.823 0.008 0.000 0.637 541 V HN 0.547 nan 8.190 nan 0.000 0.444 542 R N 0.029 120.589 120.500 0.099 0.000 2.241 542 R HA -0.110 4.230 4.340 -0.000 0.000 0.224 542 R C 2.021 178.393 176.300 0.120 0.000 1.101 542 R CA 1.316 57.489 56.100 0.123 0.000 0.995 542 R CB -0.244 30.152 30.300 0.162 0.000 0.870 542 R HN 0.542 nan 8.270 nan 0.000 0.463 543 A N -0.757 122.125 122.820 0.103 0.000 1.943 543 A HA -0.087 4.233 4.320 -0.000 0.000 0.213 543 A C 1.740 179.343 177.584 0.031 0.000 1.181 543 A CA 0.926 52.974 52.037 0.019 0.000 0.653 543 A CB -0.575 18.416 19.000 -0.016 0.000 0.833 543 A HN 0.497 nan 8.150 nan 0.000 0.451 544 H N 0.618 119.675 119.070 -0.022 0.000 2.289 544 H HA -0.147 4.408 4.556 -0.000 0.000 0.294 544 H C 1.194 176.507 175.328 -0.025 0.000 1.095 544 H CA 2.152 58.185 56.048 -0.024 0.000 1.256 544 H CB -0.264 29.484 29.762 -0.023 0.000 1.359 544 H HN 0.595 nan 8.280 nan 0.000 0.487 559 Q N -1.043 118.726 119.800 -0.051 0.000 2.434 559 Q HA -0.218 4.122 4.340 -0.000 0.000 0.366 559 Q C -0.972 174.987 176.000 -0.070 0.000 1.398 559 Q CA 1.562 57.322 55.803 -0.072 0.000 1.074 559 Q CB -2.128 26.551 28.738 -0.098 0.000 1.236 559 Q HN 0.516 nan 8.270 nan 0.000 0.329 560 F N 0.276 120.197 119.950 -0.048 0.000 2.578 560 F HA 0.499 5.025 4.527 -0.000 0.000 0.314 560 F C 0.494 176.277 175.800 -0.027 0.000 1.225 560 F CA -0.755 57.223 58.000 -0.036 0.000 1.215 560 F CB 0.683 39.670 39.000 -0.021 0.000 1.448 560 F HN 0.059 nan 8.300 nan 0.000 0.548 561 V N 1.169 121.053 119.914 -0.050 0.000 2.350 561 V HA 0.304 4.424 4.120 -0.000 0.000 0.276 561 V C 0.765 176.885 176.094 0.044 0.000 1.028 561 V CA -0.277 62.019 62.300 -0.008 0.000 0.860 561 V CB 0.528 32.325 31.823 -0.043 0.000 0.990 561 V HN 0.883 nan 8.190 nan 0.000 0.453 562 E N 3.482 123.731 120.200 0.081 0.000 3.562 562 E HA -0.327 4.023 4.350 -0.000 0.000 0.298 562 E C 1.252 177.890 176.600 0.064 0.000 0.830 562 E CA 0.942 57.397 56.400 0.092 0.000 1.013 562 E CB -0.974 28.856 29.700 0.217 0.000 1.510 562 E HN 1.441 nan 8.360 nan 0.000 0.463 563 G N -1.292 107.526 108.800 0.030 0.000 2.148 563 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.203 563 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.203 563 G C -0.015 174.883 174.900 -0.003 0.000 0.993 563 G CA 0.004 45.112 45.100 0.014 0.000 0.661 563 G HN 0.338 nan 8.290 nan 0.000 0.518 564 V N 0.488 120.377 119.914 -0.040 0.000 2.540 564 V HA 0.704 4.824 4.120 -0.000 0.000 0.302 564 V C 0.411 176.397 176.094 -0.181 0.000 1.035 564 V CA -1.240 61.001 62.300 -0.099 0.000 0.873 564 V CB 1.693 33.446 31.823 -0.117 0.000 0.992 564 V HN 0.326 nan 8.190 nan 0.000 0.428 565 R N 3.813 124.230 120.500 -0.139 0.000 2.390 565 R HA 0.423 4.763 4.340 -0.000 0.000 0.291 565 R C 1.015 177.193 176.300 -0.203 0.000 1.070 565 R CA -0.412 55.602 56.100 -0.143 0.000 1.014 565 R CB 0.441 30.690 30.300 -0.085 0.000 1.007 565 R HN 0.558 nan 8.270 nan 0.000 0.466 566 M N 1.651 121.116 119.600 -0.226 0.000 2.476 566 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 566 M C 0.655 176.872 176.300 -0.140 0.000 1.079 566 M CA 1.313 56.460 55.300 -0.255 0.000 1.104 566 M CB -0.403 32.052 32.600 -0.241 0.000 1.409 566 M HN 0.596 nan 8.290 nan 0.000 0.467 567 E N 0.514 120.659 120.200 -0.092 0.000 2.208 567 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 567 E C 1.810 178.394 176.600 -0.026 0.000 0.988 567 E CA 0.821 57.196 56.400 -0.041 0.000 0.828 567 E CB -0.073 29.611 29.700 -0.028 0.000 0.763 567 E HN 0.568 nan 8.360 nan 0.000 0.478 568 E N 0.496 120.669 120.200 -0.045 0.000 2.072 568 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 568 E C 1.792 178.387 176.600 -0.009 0.000 0.982 568 E CA 0.662 57.050 56.400 -0.020 0.000 0.803 568 E CB -0.038 29.647 29.700 -0.026 0.000 0.755 568 E HN 0.215 nan 8.360 nan 0.000 0.453 569 I N 1.256 121.801 120.570 -0.042 0.000 2.567 569 I HA -0.170 3.999 4.170 -0.000 0.000 0.257 569 I C 2.249 178.380 176.117 0.025 0.000 1.184 569 I CA 0.953 62.248 61.300 -0.008 0.000 1.451 569 I CB -0.782 37.176 38.000 -0.070 0.000 1.089 569 I HN -0.010 nan 8.210 nan 0.000 0.441 570 V N 0.215 120.139 119.914 0.017 0.000 2.446 570 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 570 V C 2.476 178.605 176.094 0.057 0.000 1.039 570 V CA 1.215 63.542 62.300 0.046 0.000 1.045 570 V CB -0.465 31.395 31.823 0.060 0.000 0.681 570 V HN 0.376 nan 8.190 nan 0.000 0.459 571 E N 0.620 120.848 120.200 0.047 0.000 2.106 571 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 571 E C 2.219 178.856 176.600 0.061 0.000 0.984 571 E CA 1.295 57.727 56.400 0.053 0.000 0.806 571 E CB -0.179 29.546 29.700 0.042 0.000 0.750 571 E HN 0.586 nan 8.360 nan 0.000 0.458 572 G N 0.476 109.310 108.800 0.057 0.000 2.394 572 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.214 572 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.214 572 G C 1.781 176.725 174.900 0.074 0.000 1.176 572 G CA 0.739 45.877 45.100 0.063 0.000 0.786 572 G HN 0.340 nan 8.290 nan 0.000 0.533 573 C N 0.862 120.208 119.300 0.077 0.000 2.413 573 C HA -0.044 4.416 4.460 -0.000 0.000 0.276 573 C C 3.284 178.342 174.990 0.113 0.000 1.248 573 C CA 1.701 60.771 59.018 0.086 0.000 1.742 573 C CB -0.975 26.812 27.740 0.079 0.000 2.017 573 C HN 0.460 nan 8.230 nan 0.000 0.481 574 T N 0.240 114.870 114.554 0.126 0.000 2.746 574 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 574 T C 1.966 176.745 174.700 0.131 0.000 1.039 574 T CA 1.684 63.885 62.100 0.169 0.000 1.142 574 T CB -0.636 68.327 68.868 0.159 0.000 0.866 574 T HN 0.668 nan 8.240 nan 0.000 0.444 575 G N 0.823 109.692 108.800 0.115 0.000 2.470 575 G HA2 0.042 4.002 3.960 -0.000 0.000 0.220 575 G HA3 0.042 4.002 3.960 -0.000 0.000 0.220 575 G C 1.699 176.665 174.900 0.110 0.000 1.121 575 G CA 0.817 45.998 45.100 0.135 0.000 0.766 575 G HN 0.583 nan 8.290 nan 0.000 0.553 576 A N 0.643 123.520 122.820 0.095 0.000 1.872 576 A HA 0.191 4.510 4.320 -0.000 0.000 0.214 576 A C 2.361 179.995 177.584 0.084 0.000 1.187 576 A CA 0.950 53.033 52.037 0.076 0.000 0.614 576 A CB -0.342 18.702 19.000 0.072 0.000 0.826 576 A HN 0.323 nan 8.150 nan 0.000 0.442 577 L N -1.260 120.029 121.223 0.110 0.000 2.141 577 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 577 L C 2.568 179.488 176.870 0.084 0.000 1.094 577 L CA 1.582 56.486 54.840 0.108 0.000 0.763 577 L CB -0.797 41.366 42.059 0.173 0.000 0.908 577 L HN 0.668 nan 8.230 nan 0.000 0.437 578 H N 0.556 119.596 119.070 -0.050 0.000 2.319 578 H HA -0.205 4.351 4.556 -0.000 0.000 0.297 578 H C 2.230 177.521 175.328 -0.063 0.000 1.097 578 H CA 1.730 57.714 56.048 -0.105 0.000 1.285 578 H CB 0.338 30.034 29.762 -0.110 0.000 1.368 578 H HN 0.171 nan 8.280 nan 0.000 0.495 579 I N 0.829 121.342 120.570 -0.094 0.000 2.406 579 I HA -0.196 3.973 4.170 -0.000 0.000 0.249 579 I C 2.627 178.738 176.117 -0.011 0.000 1.122 579 I CA 0.657 61.879 61.300 -0.130 0.000 1.431 579 I CB -0.912 37.038 38.000 -0.082 0.000 1.087 579 I HN 0.376 nan 8.210 nan 0.000 0.424 580 L N 1.081 122.323 121.223 0.031 0.000 2.131 580 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 580 L C 2.490 179.332 176.870 -0.046 0.000 1.092 580 L CA 1.012 55.879 54.840 0.044 0.000 0.759 580 L CB -0.513 41.590 42.059 0.073 0.000 0.903 580 L HN 0.175 nan 8.230 nan 0.000 0.435 581 A N -0.278 122.523 122.820 -0.031 0.000 2.277 581 A HA -0.121 4.199 4.320 -0.000 0.000 0.208 581 A C 2.117 179.646 177.584 -0.092 0.000 1.202 581 A CA 0.683 52.690 52.037 -0.050 0.000 0.762 581 A CB -0.565 18.413 19.000 -0.037 0.000 0.770 581 A HN 0.360 nan 8.150 nan 0.000 0.487 582 R N 0.030 120.436 120.500 -0.155 0.000 2.189 582 R HA -0.034 4.306 4.340 -0.000 0.000 0.218 582 R C 0.192 176.356 176.300 -0.228 0.000 1.074 582 R CA 0.813 56.804 56.100 -0.182 0.000 0.991 582 R CB -0.001 30.173 30.300 -0.210 0.000 0.883 582 R HN 0.579 nan 8.270 nan 0.000 0.457 583 D N 0.690 120.920 120.400 -0.283 0.000 2.233 583 D HA 0.002 4.642 4.640 -0.000 0.000 0.240 583 D C 1.082 177.301 176.300 -0.136 0.000 1.074 583 D CA -0.152 53.723 54.000 -0.208 0.000 0.838 583 D CB 2.276 42.959 40.800 -0.195 0.000 1.124 583 D HN -0.219 nan 8.370 nan 0.000 0.475 584 V N 6.032 125.837 119.914 -0.182 0.000 2.278 584 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 584 V C 1.943 177.943 176.094 -0.157 0.000 1.062 584 V CA 1.931 64.112 62.300 -0.197 0.000 1.038 584 V CB -0.674 30.983 31.823 -0.275 0.000 0.646 584 V HN 0.663 nan 8.190 nan 0.000 0.447 585 H N 0.585 119.643 119.070 -0.021 0.000 2.319 585 H HA -0.141 4.415 4.556 -0.000 0.000 0.297 585 H C 2.282 177.608 175.328 -0.003 0.000 1.097 585 H CA 1.994 58.038 56.048 -0.007 0.000 1.285 585 H CB -0.686 29.076 29.762 0.001 0.000 1.368 585 H HN 0.524 nan 8.280 nan 0.000 0.495 586 N N 1.148 119.914 118.700 0.110 0.000 2.166 586 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 586 N C 2.065 177.598 175.510 0.039 0.000 1.019 586 N CA 0.576 53.664 53.050 0.065 0.000 0.856 586 N CB -0.256 38.253 38.487 0.037 0.000 0.993 586 N HN 0.410 nan 8.380 nan 0.000 0.426 587 R N 0.774 121.279 120.500 0.008 0.000 2.081 587 R HA 0.023 4.363 4.340 -0.000 0.000 0.235 587 R C 2.288 178.599 176.300 0.018 0.000 1.131 587 R CA 0.859 56.959 56.100 0.000 0.000 0.960 587 R CB -0.429 29.853 30.300 -0.029 0.000 0.856 587 R HN 0.278 nan 8.270 nan 0.000 0.436 588 I N 0.507 121.089 120.570 0.020 0.000 2.286 588 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 588 I C 2.261 178.402 176.117 0.040 0.000 1.115 588 I CA 1.063 62.380 61.300 0.028 0.000 1.392 588 I CB -0.309 37.713 38.000 0.036 0.000 1.065 588 I HN -0.044 nan 8.210 nan 0.000 0.418 589 V N 1.183 121.127 119.914 0.050 0.000 2.283 589 V HA -0.226 3.894 4.120 -0.000 0.000 0.243 589 V C 2.349 178.476 176.094 0.055 0.000 1.039 589 V CA 1.697 64.028 62.300 0.051 0.000 1.016 589 V CB -0.420 31.437 31.823 0.056 0.000 0.650 589 V HN 0.290 nan 8.190 nan 0.000 0.449 590 I N -0.024 120.586 120.570 0.066 0.000 2.118 590 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 590 I C 2.814 178.993 176.117 0.103 0.000 1.070 590 I CA 1.882 63.239 61.300 0.096 0.000 1.327 590 I CB -0.580 37.487 38.000 0.112 0.000 1.034 590 I HN 0.238 nan 8.210 nan 0.000 0.405 591 R N 1.736 122.284 120.500 0.080 0.000 2.096 591 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 591 R C 1.679 178.010 176.300 0.052 0.000 1.127 591 R CA 1.668 57.811 56.100 0.072 0.000 0.968 591 R CB -0.674 29.653 30.300 0.045 0.000 0.861 591 R HN 0.415 nan 8.270 nan 0.000 0.440 592 G N 0.824 109.648 108.800 0.041 0.000 3.375 592 G HA2 0.196 4.156 3.960 -0.000 0.000 0.247 592 G HA3 0.196 4.156 3.960 -0.000 0.000 0.247 592 G C 0.572 175.487 174.900 0.024 0.000 1.343 592 G CA -0.267 44.850 45.100 0.029 0.000 1.368 592 G HN 0.290 nan 8.290 nan 0.000 0.549 593 L N -0.574 120.662 121.223 0.023 0.000 3.439 593 L HA 0.244 4.584 4.340 -0.000 0.000 0.313 593 L C 0.727 177.589 176.870 -0.013 0.000 1.292 593 L CA -0.596 54.249 54.840 0.007 0.000 1.020 593 L CB 0.196 42.261 42.059 0.010 0.000 1.424 593 L HN 0.279 nan 8.230 nan 0.000 0.612 594 N N 1.111 119.808 118.700 -0.005 0.000 2.705 594 N HA -0.234 4.506 4.740 -0.000 0.000 0.255 594 N C 1.013 176.489 175.510 -0.056 0.000 1.008 594 N CA 1.076 54.115 53.050 -0.019 0.000 0.742 594 N CB -0.290 38.183 38.487 -0.022 0.000 0.906 594 N HN 0.570 nan 8.380 nan 0.000 0.541 595 T N -3.249 111.273 114.554 -0.053 0.000 3.010 595 T HA 0.156 4.505 4.350 -0.000 0.000 0.252 595 T C 1.964 176.561 174.700 -0.173 0.000 1.047 595 T CA 0.651 62.637 62.100 -0.191 0.000 1.140 595 T CB -0.200 68.566 68.868 -0.170 0.000 0.885 595 T HN 0.319 nan 8.240 nan 0.000 0.464 596 I N 2.433 123.050 120.570 0.078 0.000 2.143 596 I HA -0.156 4.013 4.170 -0.000 0.000 0.245 596 I C -0.594 175.570 176.117 0.078 0.000 1.068 596 I CA 1.720 63.126 61.300 0.177 0.000 1.326 596 I CB -1.398 36.674 38.000 0.121 0.000 1.028 596 I HN 0.245 nan 8.210 nan 0.000 0.412 597 P HA -0.197 nan 4.420 nan 0.000 0.216 597 P C 1.777 179.053 177.300 -0.041 0.000 1.150 597 P CA 1.262 64.357 63.100 -0.008 0.000 0.843 597 P CB 0.037 31.721 31.700 -0.027 0.000 0.787 598 L N -1.962 119.176 121.223 -0.142 0.000 2.044 598 L HA -0.043 4.296 4.340 -0.000 0.000 0.205 598 L C 2.068 178.849 176.870 -0.147 0.000 1.075 598 L CA 1.762 56.462 54.840 -0.233 0.000 0.747 598 L CB -1.378 40.443 42.059 -0.398 0.000 0.903 598 L HN -0.174 nan 8.230 nan 0.000 0.435 599 F N -0.687 119.229 119.950 -0.056 0.000 2.120 599 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 599 F C 2.493 178.277 175.800 -0.027 0.000 1.095 599 F CA 1.598 59.568 58.000 -0.049 0.000 1.249 599 F CB -1.289 37.679 39.000 -0.053 0.000 0.995 599 F HN -0.091 nan 8.300 nan 0.000 0.480 600 V N -0.645 119.378 119.914 0.182 0.000 2.427 600 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 600 V C 2.219 178.423 176.094 0.183 0.000 1.051 600 V CA 1.688 64.070 62.300 0.136 0.000 1.048 600 V CB -0.700 31.193 31.823 0.117 0.000 0.666 600 V HN 0.365 nan 8.190 nan 0.000 0.456 601 Q N -0.605 119.287 119.800 0.154 0.000 2.291 601 Q HA -0.054 4.286 4.340 -0.000 0.000 0.205 601 Q C 2.129 178.274 176.000 0.242 0.000 0.970 601 Q CA 1.007 56.934 55.803 0.205 0.000 0.876 601 Q CB -0.081 28.687 28.738 0.051 0.000 0.935 601 Q HN 0.582 nan 8.270 nan 0.000 0.455 602 L N 0.110 121.424 121.223 0.152 0.000 2.395 602 L HA -0.095 4.245 4.340 -0.000 0.000 0.218 602 L C 1.867 178.806 176.870 0.114 0.000 1.130 602 L CA 0.302 55.224 54.840 0.136 0.000 0.826 602 L CB -0.175 41.949 42.059 0.109 0.000 0.941 602 L HN 0.261 nan 8.230 nan 0.000 0.451 603 L N -1.277 119.994 121.223 0.081 0.000 2.353 603 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 603 L C 1.607 178.394 176.870 -0.139 0.000 1.133 603 L CA 1.212 56.010 54.840 -0.071 0.000 0.798 603 L CB -0.438 41.510 42.059 -0.184 0.000 0.922 603 L HN 0.295 nan 8.230 nan 0.000 0.445 604 Y N -1.056 119.260 120.300 0.028 0.000 2.461 604 Y HA 0.106 4.656 4.550 -0.000 0.000 0.277 604 Y C 1.614 177.532 175.900 0.029 0.000 1.182 604 Y CA -0.259 57.857 58.100 0.026 0.000 1.276 604 Y CB 0.172 38.649 38.460 0.029 0.000 1.087 604 Y HN -0.028 nan 8.280 nan 0.000 0.519 605 S N 1.121 116.909 115.700 0.147 0.000 2.564 605 S HA 0.094 4.564 4.470 -0.000 0.000 0.278 605 S C -1.687 172.952 174.600 0.065 0.000 1.333 605 S CA -1.201 57.060 58.200 0.103 0.000 1.048 605 S CB 0.874 64.127 63.200 0.088 0.000 0.900 605 S HN 0.048 nan 8.310 nan 0.000 0.505 606 P HA 0.256 nan 4.420 nan 0.000 0.245 606 P C -0.526 176.791 177.300 0.029 0.000 1.212 606 P CA 0.468 63.590 63.100 0.037 0.000 0.774 606 P CB -0.014 31.705 31.700 0.032 0.000 0.999 607 I N 0.066 120.655 120.570 0.032 0.000 2.306 607 I HA 0.141 4.311 4.170 -0.000 0.000 0.288 607 I C 1.381 177.514 176.117 0.027 0.000 1.036 607 I CA -0.374 60.942 61.300 0.027 0.000 1.221 607 I CB 1.142 39.159 38.000 0.028 0.000 1.385 607 I HN -0.146 nan 8.210 nan 0.000 0.472 608 E N 3.503 123.717 120.200 0.023 0.000 2.114 608 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 608 E C 1.397 178.014 176.600 0.028 0.000 1.008 608 E CA 1.832 58.246 56.400 0.023 0.000 0.810 608 E CB 0.046 29.759 29.700 0.022 0.000 0.739 608 E HN 0.657 nan 8.360 nan 0.000 0.456 609 N N 0.634 119.353 118.700 0.031 0.000 2.036 609 N HA -0.186 4.553 4.740 -0.000 0.000 0.195 609 N C 1.772 177.303 175.510 0.036 0.000 1.037 609 N CA 1.239 54.312 53.050 0.037 0.000 0.855 609 N CB -0.256 38.253 38.487 0.036 0.000 1.033 609 N HN 0.176 nan 8.380 nan 0.000 0.423 610 I N 0.658 121.249 120.570 0.035 0.000 2.454 610 I HA -0.260 3.909 4.170 -0.000 0.000 0.254 610 I C 1.942 178.072 176.117 0.021 0.000 1.156 610 I CA 1.027 62.349 61.300 0.037 0.000 1.433 610 I CB -0.278 37.752 38.000 0.049 0.000 1.082 610 I HN 0.262 nan 8.210 nan 0.000 0.432 611 Q N 0.226 120.035 119.800 0.015 0.000 2.083 611 Q HA -0.181 4.159 4.340 -0.000 0.000 0.198 611 Q C 2.326 178.315 176.000 -0.019 0.000 0.969 611 Q CA 1.069 56.870 55.803 -0.003 0.000 0.838 611 Q CB -0.165 28.572 28.738 -0.001 0.000 0.900 611 Q HN 0.409 nan 8.270 nan 0.000 0.436 612 R N 0.724 121.229 120.500 0.009 0.000 2.073 612 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 612 R C 2.234 178.469 176.300 -0.109 0.000 1.134 612 R CA 1.668 57.787 56.100 0.032 0.000 0.952 612 R CB -0.127 30.235 30.300 0.102 0.000 0.850 612 R HN 0.251 nan 8.270 nan 0.000 0.433 613 V N -1.196 118.660 119.914 -0.098 0.000 2.515 613 V HA -0.027 4.093 4.120 -0.000 0.000 0.250 613 V C 2.368 178.275 176.094 -0.311 0.000 1.058 613 V CA 1.541 63.717 62.300 -0.207 0.000 1.064 613 V CB -1.077 30.732 31.823 -0.023 0.000 0.675 613 V HN 0.381 nan 8.190 nan 0.000 0.461 614 A N 0.817 123.534 122.820 -0.171 0.000 1.898 614 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 614 A C 2.409 179.835 177.584 -0.263 0.000 1.181 614 A CA 1.962 53.912 52.037 -0.145 0.000 0.620 614 A CB -0.896 18.100 19.000 -0.007 0.000 0.819 614 A HN 0.764 nan 8.150 nan 0.000 0.442 615 A N -0.591 122.080 122.820 -0.248 0.000 2.014 615 A HA 0.231 4.551 4.320 -0.000 0.000 0.218 615 A C 2.268 179.556 177.584 -0.494 0.000 1.163 615 A CA 1.623 53.508 52.037 -0.253 0.000 0.652 615 A CB -1.056 17.875 19.000 -0.115 0.000 0.808 615 A HN 0.626 nan 8.150 nan 0.000 0.449 616 G N -0.766 107.535 108.800 -0.832 0.000 2.414 616 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 616 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 616 G C 1.594 175.926 174.900 -0.947 0.000 1.188 616 G CA 1.058 45.305 45.100 -1.421 0.000 0.783 616 G HN 0.432 nan 8.290 nan 0.000 0.537 617 V N 0.757 120.186 119.914 -0.809 0.000 2.407 617 V HA -0.056 4.063 4.120 -0.000 0.000 0.248 617 V C 2.832 178.634 176.094 -0.487 0.000 1.055 617 V CA 1.584 63.535 62.300 -0.582 0.000 1.049 617 V CB -0.235 31.129 31.823 -0.764 0.000 0.662 617 V HN 0.398 nan 8.190 nan 0.000 0.455 618 L N -0.731 120.213 121.223 -0.465 0.000 2.141 618 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 618 L C 2.716 179.471 176.870 -0.192 0.000 1.094 618 L CA 1.641 56.307 54.840 -0.289 0.000 0.763 618 L CB -0.743 41.191 42.059 -0.208 0.000 0.908 618 L HN 0.546 nan 8.230 nan 0.000 0.437 619 C N 0.002 119.173 119.300 -0.215 0.000 2.435 619 C HA -0.106 4.354 4.460 -0.000 0.000 0.279 619 C C 2.764 177.716 174.990 -0.063 0.000 1.321 619 C CA 0.666 59.628 59.018 -0.094 0.000 1.752 619 C CB -0.516 27.195 27.740 -0.048 0.000 1.959 619 C HN 0.459 nan 8.230 nan 0.000 0.500 620 E N 0.774 120.907 120.200 -0.112 0.000 2.028 620 E HA -0.078 4.271 4.350 -0.000 0.000 0.191 620 E C 2.140 178.701 176.600 -0.065 0.000 0.988 620 E CA 1.233 57.595 56.400 -0.064 0.000 0.799 620 E CB -0.627 29.035 29.700 -0.063 0.000 0.755 620 E HN 0.676 nan 8.360 nan 0.000 0.447 621 L N 0.465 121.631 121.223 -0.096 0.000 2.275 621 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 621 L C 2.248 179.088 176.870 -0.051 0.000 1.119 621 L CA 0.751 55.548 54.840 -0.070 0.000 0.790 621 L CB -0.390 41.622 42.059 -0.079 0.000 0.919 621 L HN 0.015 nan 8.230 nan 0.000 0.443 622 A N 0.293 123.081 122.820 -0.053 0.000 2.209 622 A HA -0.147 4.173 4.320 -0.000 0.000 0.212 622 A C 1.994 179.558 177.584 -0.033 0.000 1.158 622 A CA 0.556 52.569 52.037 -0.039 0.000 0.742 622 A CB -0.463 18.516 19.000 -0.035 0.000 0.790 622 A HN 0.642 nan 8.150 nan 0.000 0.472 623 Q N -0.303 119.481 119.800 -0.027 0.000 2.387 623 Q HA 0.071 4.411 4.340 -0.000 0.000 0.211 623 Q C -1.091 174.890 176.000 -0.031 0.000 0.952 623 Q CA 0.259 56.048 55.803 -0.022 0.000 0.957 623 Q CB -0.040 28.692 28.738 -0.010 0.000 1.002 623 Q HN 0.365 nan 8.270 nan 0.000 0.502 624 D N 1.192 121.571 120.400 -0.034 0.000 2.575 624 D HA 0.098 4.738 4.640 -0.000 0.000 0.250 624 D C -0.054 176.227 176.300 -0.032 0.000 1.279 624 D CA -0.392 53.589 54.000 -0.032 0.000 0.925 624 D CB 1.827 42.610 40.800 -0.029 0.000 1.261 624 D HN 0.062 nan 8.370 nan 0.000 0.567 625 K N 2.128 122.507 120.400 -0.035 0.000 2.008 625 K HA -0.327 3.993 4.320 -0.000 0.000 0.231 625 K C 1.281 177.865 176.600 -0.026 0.000 1.031 625 K CA 1.979 58.246 56.287 -0.035 0.000 0.995 625 K CB 0.156 32.638 32.500 -0.031 0.000 0.747 625 K HN 0.437 nan 8.250 nan 0.000 0.447 626 E N -0.516 119.672 120.200 -0.020 0.000 2.065 626 E HA -0.287 4.063 4.350 -0.000 0.000 0.201 626 E C 2.030 178.623 176.600 -0.011 0.000 1.016 626 E CA 1.451 57.843 56.400 -0.013 0.000 0.818 626 E CB -0.278 29.416 29.700 -0.009 0.000 0.749 626 E HN 0.539 nan 8.360 nan 0.000 0.453 627 A N 1.536 124.349 122.820 -0.012 0.000 1.859 627 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 627 A C 2.451 180.028 177.584 -0.012 0.000 1.198 627 A CA 2.375 54.406 52.037 -0.009 0.000 0.629 627 A CB -1.005 17.986 19.000 -0.014 0.000 0.830 627 A HN 0.347 nan 8.150 nan 0.000 0.446 628 A N -0.987 121.820 122.820 -0.022 0.000 1.892 628 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 628 A C 2.205 179.778 177.584 -0.019 0.000 1.188 628 A CA 2.955 54.976 52.037 -0.026 0.000 0.631 628 A CB -1.330 17.646 19.000 -0.040 0.000 0.822 628 A HN 0.904 nan 8.150 nan 0.000 0.447 629 E N -0.551 119.638 120.200 -0.019 0.000 2.118 629 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 629 E C 2.215 178.811 176.600 -0.005 0.000 0.992 629 E CA 2.113 58.505 56.400 -0.014 0.000 0.804 629 E CB -1.079 28.612 29.700 -0.014 0.000 0.741 629 E HN 1.079 nan 8.360 nan 0.000 0.458 630 A N 0.063 122.883 122.820 -0.001 0.000 2.016 630 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 630 A C 2.437 180.028 177.584 0.012 0.000 1.162 630 A CA 1.167 53.208 52.037 0.007 0.000 0.662 630 A CB -0.212 18.795 19.000 0.011 0.000 0.812 630 A HN 0.506 nan 8.150 nan 0.000 0.450 631 I N -0.718 119.857 120.570 0.009 0.000 2.233 631 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 631 I C 2.491 178.615 176.117 0.012 0.000 1.093 631 I CA 1.627 62.935 61.300 0.014 0.000 1.380 631 I CB -0.349 37.652 38.000 0.002 0.000 1.067 631 I HN 0.464 nan 8.210 nan 0.000 0.413 632 E N 1.389 121.591 120.200 0.003 0.000 2.265 632 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 632 E C 2.155 178.760 176.600 0.008 0.000 0.996 632 E CA 1.029 57.430 56.400 0.003 0.000 0.832 632 E CB 0.074 29.771 29.700 -0.005 0.000 0.756 632 E HN 0.493 nan 8.360 nan 0.000 0.491 633 A N 0.829 123.654 122.820 0.009 0.000 2.066 633 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 633 A C 1.844 179.439 177.584 0.017 0.000 1.157 633 A CA 0.808 52.851 52.037 0.011 0.000 0.670 633 A CB -0.105 18.899 19.000 0.008 0.000 0.804 633 A HN 0.148 nan 8.150 nan 0.000 0.453 634 E N -1.111 119.103 120.200 0.023 0.000 2.216 634 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 634 E C 1.151 177.776 176.600 0.042 0.000 0.988 634 E CA 0.917 57.336 56.400 0.032 0.000 0.834 634 E CB -0.092 29.632 29.700 0.040 0.000 0.772 634 E HN 0.799 nan 8.360 nan 0.000 0.479 635 G N 0.483 109.306 108.800 0.039 0.000 2.237 635 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.153 635 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.153 635 G C 0.853 175.783 174.900 0.050 0.000 1.039 635 G CA 0.384 45.511 45.100 0.045 0.000 0.719 635 G HN 0.357 nan 8.290 nan 0.000 0.491 636 A N -0.540 122.299 122.820 0.032 0.000 2.119 636 A HA 0.272 4.592 4.320 -0.000 0.000 0.217 636 A C 2.367 179.943 177.584 -0.014 0.000 1.153 636 A CA 2.461 54.504 52.037 0.011 0.000 0.692 636 A CB -0.455 18.548 19.000 0.005 0.000 0.799 636 A HN 0.772 nan 8.150 nan 0.000 0.458 637 T N 0.467 115.018 114.554 -0.004 0.000 2.759 637 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 637 T C 2.176 176.863 174.700 -0.022 0.000 1.042 637 T CA 1.452 63.544 62.100 -0.012 0.000 1.140 637 T CB -0.365 68.502 68.868 -0.002 0.000 0.864 637 T HN 0.612 nan 8.240 nan 0.000 0.455 638 A N 2.196 125.011 122.820 -0.009 0.000 1.828 638 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 638 A C 0.246 177.791 177.584 -0.065 0.000 1.203 638 A CA 1.273 53.303 52.037 -0.012 0.000 0.614 638 A CB -1.697 17.324 19.000 0.035 0.000 0.844 638 A HN 0.361 nan 8.150 nan 0.000 0.445 639 P HA -0.105 nan 4.420 nan 0.000 0.216 639 P C 1.489 178.681 177.300 -0.180 0.000 1.153 639 P CA 0.782 63.736 63.100 -0.243 0.000 0.848 639 P CB -0.152 31.260 31.700 -0.479 0.000 0.787 640 L N -1.219 119.927 121.223 -0.129 0.000 2.129 640 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 640 L C 2.144 178.945 176.870 -0.116 0.000 1.087 640 L CA 1.788 56.567 54.840 -0.102 0.000 0.757 640 L CB -1.302 40.720 42.059 -0.061 0.000 0.896 640 L HN 0.090 nan 8.230 nan 0.000 0.434 641 T N -1.511 112.971 114.554 -0.120 0.000 2.777 641 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 641 T C 1.744 176.269 174.700 -0.291 0.000 1.040 641 T CA 1.263 63.267 62.100 -0.159 0.000 1.141 641 T CB -0.077 68.731 68.868 -0.099 0.000 0.868 641 T HN 0.203 nan 8.240 nan 0.000 0.444 642 E N 1.229 121.297 120.200 -0.220 0.000 2.153 642 E HA 0.003 4.352 4.350 -0.000 0.000 0.194 642 E C 1.752 178.215 176.600 -0.228 0.000 0.988 642 E CA 0.824 57.092 56.400 -0.220 0.000 0.811 642 E CB -0.523 29.101 29.700 -0.126 0.000 0.746 642 E HN 0.453 nan 8.360 nan 0.000 0.466 643 L N 0.152 121.265 121.223 -0.184 0.000 2.610 643 L HA 0.026 4.366 4.340 -0.000 0.000 0.232 643 L C 1.905 178.706 176.870 -0.115 0.000 1.149 643 L CA 0.050 54.816 54.840 -0.122 0.000 0.872 643 L CB -0.130 41.873 42.059 -0.094 0.000 0.992 643 L HN 0.197 nan 8.230 nan 0.000 0.447 644 L N -0.972 120.122 121.223 -0.215 0.000 2.156 644 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 644 L C 1.625 178.503 176.870 0.012 0.000 1.095 644 L CA 1.108 55.865 54.840 -0.137 0.000 0.770 644 L CB -0.376 41.564 42.059 -0.197 0.000 0.914 644 L HN 0.425 nan 8.230 nan 0.000 0.439 645 H N -1.984 117.079 119.070 -0.011 0.000 2.538 645 H HA 0.119 4.674 4.556 -0.000 0.000 0.286 645 H C 0.952 176.274 175.328 -0.009 0.000 1.035 645 H CA -0.540 55.502 56.048 -0.010 0.000 1.169 645 H CB 0.358 30.115 29.762 -0.008 0.000 1.417 645 H HN 0.076 nan 8.280 nan 0.000 0.567 646 S N 0.961 116.705 115.700 0.073 0.000 2.564 646 S HA 0.074 4.544 4.470 -0.000 0.000 0.278 646 S C 1.276 175.898 174.600 0.036 0.000 1.333 646 S CA -0.612 57.612 58.200 0.040 0.000 1.048 646 S CB 0.735 63.944 63.200 0.014 0.000 0.900 646 S HN 0.479 nan 8.310 nan 0.000 0.505 647 R N 2.245 122.761 120.500 0.027 0.000 2.320 647 R HA 0.126 4.466 4.340 -0.000 0.000 0.211 647 R C 0.178 176.485 176.300 0.011 0.000 0.931 647 R CA -0.051 56.059 56.100 0.017 0.000 1.071 647 R CB -0.097 30.212 30.300 0.014 0.000 1.025 647 R HN 0.454 nan 8.270 nan 0.000 0.495 648 N N 1.893 120.600 118.700 0.012 0.000 2.521 648 N HA -0.011 4.728 4.740 -0.000 0.000 0.236 648 N C 0.092 175.604 175.510 0.003 0.000 1.067 648 N CA 0.119 53.175 53.050 0.011 0.000 0.939 648 N CB 0.773 39.270 38.487 0.017 0.000 1.201 648 N HN 0.157 nan 8.380 nan 0.000 0.511 649 E N 1.440 121.635 120.200 -0.007 0.000 2.448 649 E HA -0.165 4.185 4.350 -0.000 0.000 0.203 649 E C 1.312 177.885 176.600 -0.045 0.000 1.046 649 E CA 0.927 57.311 56.400 -0.026 0.000 0.871 649 E CB 0.230 29.911 29.700 -0.032 0.000 0.790 649 E HN 0.699 nan 8.360 nan 0.000 0.545 650 G N 0.514 109.304 108.800 -0.018 0.000 2.486 650 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.210 650 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.210 650 G C 1.634 176.564 174.900 0.050 0.000 1.168 650 G CA -0.035 45.060 45.100 -0.009 0.000 0.820 650 G HN 0.127 nan 8.290 nan 0.000 0.544 651 V N 1.612 121.561 119.914 0.058 0.000 2.759 651 V HA -0.014 4.106 4.120 -0.000 0.000 0.256 651 V C 3.043 179.165 176.094 0.047 0.000 1.080 651 V CA 1.813 64.154 62.300 0.068 0.000 1.101 651 V CB -0.326 31.517 31.823 0.033 0.000 0.698 651 V HN 0.464 nan 8.190 nan 0.000 0.477 652 A N -0.233 122.596 122.820 0.014 0.000 1.850 652 A HA -0.112 4.207 4.320 -0.000 0.000 0.212 652 A C 2.372 179.943 177.584 -0.020 0.000 1.208 652 A CA 1.802 53.838 52.037 -0.002 0.000 0.609 652 A CB -1.009 17.989 19.000 -0.003 0.000 0.860 652 A HN 0.403 nan 8.150 nan 0.000 0.448 653 T N -0.834 113.675 114.554 -0.076 0.000 2.778 653 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 653 T C 1.582 176.199 174.700 -0.140 0.000 1.050 653 T CA 1.908 63.918 62.100 -0.149 0.000 1.137 653 T CB -0.419 68.293 68.868 -0.260 0.000 0.860 653 T HN 0.493 nan 8.240 nan 0.000 0.468 654 Y N 0.567 120.849 120.300 -0.029 0.000 2.475 654 Y HA 0.366 4.916 4.550 -0.000 0.000 0.289 654 Y C 2.434 178.309 175.900 -0.042 0.000 1.121 654 Y CA -0.353 57.723 58.100 -0.039 0.000 1.257 654 Y CB -0.613 37.810 38.460 -0.062 0.000 1.026 654 Y HN 0.198 nan 8.280 nan 0.000 0.555 655 A N -0.541 122.342 122.820 0.106 0.000 2.016 655 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 655 A C 2.341 179.946 177.584 0.035 0.000 1.162 655 A CA 1.249 53.309 52.037 0.038 0.000 0.662 655 A CB -0.785 18.210 19.000 -0.009 0.000 0.812 655 A HN 0.298 nan 8.150 nan 0.000 0.450 656 A N -0.351 122.490 122.820 0.035 0.000 2.016 656 A HA 0.359 4.679 4.320 -0.000 0.000 0.217 656 A C 2.332 179.963 177.584 0.078 0.000 1.162 656 A CA 1.475 53.533 52.037 0.034 0.000 0.662 656 A CB -0.593 18.403 19.000 -0.006 0.000 0.812 656 A HN 0.806 nan 8.150 nan 0.000 0.450 657 A N -0.410 122.468 122.820 0.096 0.000 1.874 657 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 657 A C 2.136 179.825 177.584 0.175 0.000 1.189 657 A CA 1.515 53.645 52.037 0.154 0.000 0.615 657 A CB -0.852 18.250 19.000 0.169 0.000 0.830 657 A HN 0.337 nan 8.150 nan 0.000 0.443 658 V N 0.362 120.342 119.914 0.110 0.000 2.407 658 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 658 V C 2.533 178.659 176.094 0.053 0.000 1.055 658 V CA 1.899 64.233 62.300 0.057 0.000 1.049 658 V CB -0.823 31.006 31.823 0.009 0.000 0.662 658 V HN 0.537 nan 8.190 nan 0.000 0.455 659 L N -1.234 120.032 121.223 0.071 0.000 2.109 659 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 659 L C 2.345 179.273 176.870 0.096 0.000 1.086 659 L CA 1.743 56.620 54.840 0.062 0.000 0.760 659 L CB -0.553 41.539 42.059 0.055 0.000 0.910 659 L HN 0.378 nan 8.230 nan 0.000 0.437 660 F N 0.819 120.767 119.950 -0.004 0.000 2.102 660 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 660 F C 2.728 178.526 175.800 -0.003 0.000 1.105 660 F CA 1.448 59.446 58.000 -0.002 0.000 1.239 660 F CB -0.041 38.959 39.000 -0.001 0.000 0.991 660 F HN -0.166 nan 8.300 nan 0.000 0.474 661 R N 0.430 120.864 120.500 -0.110 0.000 2.075 661 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 661 R C 1.667 177.855 176.300 -0.187 0.000 1.126 661 R CA 1.688 57.654 56.100 -0.224 0.000 0.963 661 R CB -0.440 29.836 30.300 -0.041 0.000 0.858 661 R HN 0.438 nan 8.270 nan 0.000 0.435 662 M N -0.802 118.738 119.600 -0.099 0.000 3.376 662 M HA 0.272 4.752 4.480 -0.000 0.000 0.218 662 M C -0.339 175.910 176.300 -0.085 0.000 1.295 662 M CA 0.181 55.434 55.300 -0.079 0.000 1.386 662 M CB 0.775 33.350 32.600 -0.041 0.000 1.205 662 M HN -0.097 nan 8.290 nan 0.000 0.496 663 S N 0.000 115.615 115.700 -0.142 0.000 2.498 663 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 663 S CA 0.000 58.127 58.200 -0.121 0.000 1.107 663 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 663 S HN 0.000 nan 8.310 nan 0.000 0.517