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 2z6g_1_A DATA FIRST_RESID 126 DATA SEQUENCE EPSQMLKHAV VNLINYQDDA ELATRAIPEL TKLLNDEDQV VVNKAAVMVH DATA SEQUENCE QLSKKEASRH AIMRSPQMVS AIVRTMQNTN DVETARCTSG TLHNLSHHRE DATA SEQUENCE GLLAIFKSGG IPALVNMLGS PVDSVLFHAI TTLHNLLLHQ EGAKMAVRLA DATA SEQUENCE GGLQKMVALL NKTNVKFLAI TTDCLQILAY GNQESKLIIL ASGGPQALVN DATA SEQUENCE IMRTYTYEKL LWTTSRVLKV LSVCSSNKPA IVEAGGMQAL GLHLTDPSQR DATA SEQUENCE LVQNCLWTLR NLSDAATKQE GMEGLLGTLV QLLGSDDINV VTCAAGILSN DATA SEQUENCE LTCNNYKNKM MVCQVGGIEA LVRTVLRAGD REDITEPAIC ALRHLTSRHQ DATA SEQUENCE DAEMAQNAVR LHYGLPVVVK LLHPPSHWPL IKATVGLIRN LALCPANHAP DATA SEQUENCE LREQGAIPRL VQLLVRAHQD TQRRTSXXXX XXQFVEGVRM EEIVEACTGA DATA SEQUENCE LHILARDIHN RIVIRGLNTI PLFVQLLYSP IENIQRVAAG VLCELAQDKE DATA SEQUENCE AAEAIEAEGA TAPLTELLHS RNEGVATYAA AVLFRMSEDK PQDYKKRLSV DATA SEQUENCE ELTSSL 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 126 E HA 0.000 nan 4.350 nan 0.000 0.291 126 E C 0.000 176.599 176.600 -0.002 0.000 1.382 126 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 126 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 127 P HA 0.289 nan 4.420 nan 0.000 0.256 127 P C 0.746 178.045 177.300 -0.002 0.000 1.335 127 P CA 1.504 64.603 63.100 -0.002 0.000 0.808 127 P CB 0.984 32.683 31.700 -0.001 0.000 1.305 128 S N -0.992 114.707 115.700 -0.003 0.000 3.049 128 S HA 0.410 4.879 4.470 -0.002 0.000 0.182 128 S C 0.960 175.558 174.600 -0.004 0.000 0.725 128 S CA 1.246 59.444 58.200 -0.003 0.000 0.811 128 S CB -0.130 63.068 63.200 -0.003 0.000 0.801 128 S HN 0.310 nan 8.310 nan 0.000 0.627 129 Q N -0.165 119.632 119.800 -0.005 0.000 2.943 129 Q HA 0.730 5.069 4.340 -0.002 0.000 0.328 129 Q C 0.348 176.344 176.000 -0.007 0.000 0.934 129 Q CA -0.241 55.558 55.803 -0.006 0.000 0.782 129 Q CB -0.026 28.708 28.738 -0.006 0.000 1.470 129 Q HN 0.519 nan 8.270 nan 0.000 0.503 130 M N 0.899 120.494 119.600 -0.009 0.000 2.618 130 M HA 0.196 4.675 4.480 -0.002 0.000 0.240 130 M C 2.277 178.570 176.300 -0.012 0.000 1.123 130 M CA 1.083 56.377 55.300 -0.011 0.000 1.060 130 M CB -0.180 32.411 32.600 -0.014 0.000 1.535 130 M HN 0.812 nan 8.290 nan 0.000 0.507 131 L N -0.032 121.185 121.223 -0.010 0.000 2.217 131 L HA 0.042 4.381 4.340 -0.002 0.000 0.211 131 L C 2.552 179.417 176.870 -0.008 0.000 1.107 131 L CA 2.227 57.061 54.840 -0.009 0.000 0.783 131 L CB -2.169 39.886 42.059 -0.008 0.000 0.919 131 L HN 0.463 nan 8.230 nan 0.000 0.442 132 K N -1.236 119.160 120.400 -0.007 0.000 2.168 132 K HA 0.098 4.417 4.320 -0.002 0.000 0.201 132 K C 2.250 178.847 176.600 -0.005 0.000 1.049 132 K CA 1.845 58.129 56.287 -0.005 0.000 0.974 132 K CB -1.733 30.765 32.500 -0.003 0.000 0.792 132 K HN 1.013 nan 8.250 nan 0.000 0.463 133 H N 0.161 119.227 119.070 -0.006 0.000 2.387 133 H HA 0.274 4.829 4.556 -0.002 0.000 0.299 133 H C 2.653 177.976 175.328 -0.009 0.000 1.099 133 H CA 2.506 58.550 56.048 -0.007 0.000 1.315 133 H CB -0.720 29.037 29.762 -0.009 0.000 1.380 133 H HN 0.708 nan 8.280 nan 0.000 0.513 134 A N 0.062 122.874 122.820 -0.013 0.000 1.865 134 A HA -0.015 4.303 4.320 -0.002 0.000 0.217 134 A C 2.791 180.369 177.584 -0.010 0.000 1.191 134 A CA 2.060 54.086 52.037 -0.018 0.000 0.623 134 A CB -1.182 17.806 19.000 -0.020 0.000 0.826 134 A HN 0.790 nan 8.150 nan 0.000 0.444 135 V N -0.195 119.716 119.914 -0.005 0.000 2.867 135 V HA -0.153 3.965 4.120 -0.002 0.000 0.260 135 V C 2.234 178.332 176.094 0.007 0.000 1.099 135 V CA 2.050 64.350 62.300 0.001 0.000 1.122 135 V CB -0.258 31.565 31.823 0.000 0.000 0.708 135 V HN 0.334 nan 8.190 nan 0.000 0.490 136 V N 0.289 120.207 119.914 0.005 0.000 2.331 136 V HA -0.159 3.959 4.120 -0.002 0.000 0.242 136 V C 2.079 178.185 176.094 0.020 0.000 1.034 136 V CA 2.301 64.607 62.300 0.011 0.000 1.027 136 V CB -0.934 30.893 31.823 0.007 0.000 0.667 136 V HN 0.603 nan 8.190 nan 0.000 0.457 137 N N 0.483 119.190 118.700 0.012 0.000 2.205 137 N HA -0.157 4.582 4.740 -0.002 0.000 0.186 137 N C 1.787 177.325 175.510 0.046 0.000 1.015 137 N CA 1.002 54.063 53.050 0.018 0.000 0.862 137 N CB -0.063 38.411 38.487 -0.021 0.000 0.986 137 N HN 0.303 nan 8.380 nan 0.000 0.429 138 L N 1.014 122.257 121.223 0.032 0.000 2.209 138 L HA 0.034 4.373 4.340 -0.002 0.000 0.207 138 L C 1.910 178.826 176.870 0.078 0.000 1.094 138 L CA 0.988 55.863 54.840 0.057 0.000 0.790 138 L CB -0.496 41.576 42.059 0.021 0.000 0.932 138 L HN 0.182 nan 8.230 nan 0.000 0.447 139 I N 1.438 122.036 120.570 0.048 0.000 2.353 139 I HA -0.251 3.918 4.170 -0.002 0.000 0.248 139 I C 2.053 178.193 176.117 0.037 0.000 1.119 139 I CA 1.691 63.012 61.300 0.035 0.000 1.417 139 I CB -0.539 37.473 38.000 0.020 0.000 1.078 139 I HN 0.581 nan 8.210 nan 0.000 0.421 140 N N -1.501 117.230 118.700 0.052 0.000 2.405 140 N HA -0.181 4.558 4.740 -0.002 0.000 0.175 140 N C 2.126 177.670 175.510 0.057 0.000 1.051 140 N CA 0.082 53.157 53.050 0.041 0.000 0.899 140 N CB -0.448 38.062 38.487 0.037 0.000 1.000 140 N HN 0.213 nan 8.380 nan 0.000 0.451 141 Y N 2.701 122.987 120.300 -0.025 0.000 2.090 141 Y HA -0.204 4.345 4.550 -0.002 0.000 0.274 141 Y C 2.729 178.609 175.900 -0.034 0.000 1.110 141 Y CA 2.098 60.178 58.100 -0.034 0.000 1.092 141 Y CB -0.589 37.844 38.460 -0.046 0.000 0.992 141 Y HN 0.182 nan 8.280 nan 0.000 0.479 142 Q N -0.256 119.514 119.800 -0.050 0.000 2.368 142 Q HA -0.224 4.115 4.340 -0.002 0.000 0.210 142 Q C 1.631 177.552 176.000 -0.132 0.000 0.982 142 Q CA 1.743 57.464 55.803 -0.137 0.000 0.884 142 Q CB -0.497 28.250 28.738 0.016 0.000 0.933 142 Q HN 0.569 nan 8.270 nan 0.000 0.460 143 D N 1.667 122.016 120.400 -0.085 0.000 2.087 143 D HA -0.149 4.489 4.640 -0.002 0.000 0.201 143 D C 1.331 177.576 176.300 -0.091 0.000 0.980 143 D CA 1.327 55.290 54.000 -0.062 0.000 0.849 143 D CB -0.030 40.754 40.800 -0.027 0.000 1.001 143 D HN 0.241 nan 8.370 nan 0.000 0.452 144 D N 0.416 120.753 120.400 -0.104 0.000 2.264 144 D HA -0.069 4.569 4.640 -0.002 0.000 0.208 144 D C 1.808 178.012 176.300 -0.160 0.000 0.966 144 D CA 0.594 54.532 54.000 -0.104 0.000 0.864 144 D CB 0.045 40.799 40.800 -0.077 0.000 0.933 144 D HN 0.216 nan 8.370 nan 0.000 0.499 145 A N 1.190 123.843 122.820 -0.278 0.000 1.855 145 A HA -0.201 4.118 4.320 -0.002 0.000 0.215 145 A C 2.126 179.600 177.584 -0.183 0.000 1.191 145 A CA 1.489 53.325 52.037 -0.336 0.000 0.613 145 A CB -0.550 18.091 19.000 -0.598 0.000 0.829 145 A HN 0.183 nan 8.150 nan 0.000 0.442 146 E N -0.321 119.792 120.200 -0.145 0.000 2.274 146 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 146 E C 1.887 178.449 176.600 -0.063 0.000 0.996 146 E CA 0.976 57.325 56.400 -0.086 0.000 0.840 146 E CB -0.221 29.440 29.700 -0.066 0.000 0.772 146 E HN 0.580 nan 8.360 nan 0.000 0.491 147 L N 0.065 121.248 121.223 -0.066 0.000 2.042 147 L HA -0.077 4.262 4.340 -0.002 0.000 0.210 147 L C 2.198 179.046 176.870 -0.038 0.000 1.076 147 L CA 2.276 57.089 54.840 -0.045 0.000 0.749 147 L CB -0.863 41.170 42.059 -0.044 0.000 0.893 147 L HN 0.041 nan 8.230 nan 0.000 0.432 148 A N -0.410 122.382 122.820 -0.047 0.000 1.855 148 A HA -0.149 4.170 4.320 -0.002 0.000 0.215 148 A C 2.240 179.810 177.584 -0.024 0.000 1.191 148 A CA 2.146 54.163 52.037 -0.032 0.000 0.613 148 A CB -1.438 17.540 19.000 -0.037 0.000 0.829 148 A HN 0.554 nan 8.150 nan 0.000 0.442 149 T N -0.890 113.646 114.554 -0.031 0.000 2.996 149 T HA -0.117 4.231 4.350 -0.002 0.000 0.271 149 T C 1.737 176.427 174.700 -0.016 0.000 1.126 149 T CA 1.561 63.649 62.100 -0.021 0.000 1.103 149 T CB -0.206 68.646 68.868 -0.026 0.000 0.870 149 T HN 0.534 nan 8.240 nan 0.000 0.528 150 R N -0.407 120.083 120.500 -0.018 0.000 2.307 150 R HA 0.372 4.711 4.340 -0.002 0.000 0.200 150 R C 1.936 178.231 176.300 -0.008 0.000 0.893 150 R CA 0.497 56.589 56.100 -0.013 0.000 1.042 150 R CB 0.204 30.494 30.300 -0.016 0.000 1.059 150 R HN 0.308 nan 8.270 nan 0.000 0.530 151 A N 0.256 123.071 122.820 -0.008 0.000 2.192 151 A HA 0.177 4.496 4.320 -0.002 0.000 0.208 151 A C 1.596 179.181 177.584 0.002 0.000 1.220 151 A CA -0.246 51.789 52.037 -0.002 0.000 0.900 151 A CB 0.224 19.222 19.000 -0.003 0.000 0.937 151 A HN 0.092 nan 8.150 nan 0.000 0.487 152 I N 1.061 121.632 120.570 0.001 0.000 2.118 152 I HA -0.179 3.990 4.170 -0.002 0.000 0.241 152 I C -0.453 175.669 176.117 0.008 0.000 1.070 152 I CA 1.778 63.082 61.300 0.007 0.000 1.327 152 I CB -2.296 35.708 38.000 0.006 0.000 1.034 152 I HN 0.123 nan 8.210 nan 0.000 0.405 153 P HA -0.159 nan 4.420 nan 0.000 0.216 153 P C 1.660 178.964 177.300 0.007 0.000 1.153 153 P CA 1.448 64.551 63.100 0.006 0.000 0.858 153 P CB -0.002 31.701 31.700 0.004 0.000 0.789 154 E N -0.337 119.866 120.200 0.006 0.000 2.001 154 E HA -0.144 4.205 4.350 -0.002 0.000 0.195 154 E C 2.186 178.793 176.600 0.010 0.000 1.002 154 E CA 1.131 57.536 56.400 0.007 0.000 0.819 154 E CB -1.218 28.486 29.700 0.006 0.000 0.769 154 E HN 0.219 nan 8.360 nan 0.000 0.454 155 L N 1.094 122.324 121.223 0.012 0.000 2.103 155 L HA -0.275 4.064 4.340 -0.002 0.000 0.215 155 L C 2.592 179.473 176.870 0.018 0.000 1.080 155 L CA 1.709 56.559 54.840 0.017 0.000 0.764 155 L CB -1.018 41.053 42.059 0.020 0.000 0.890 155 L HN 0.187 nan 8.230 nan 0.000 0.435 156 T N -0.423 114.141 114.554 0.016 0.000 2.665 156 T HA -0.239 4.110 4.350 -0.002 0.000 0.268 156 T C 1.871 176.580 174.700 0.014 0.000 1.035 156 T CA 1.659 63.769 62.100 0.016 0.000 1.151 156 T CB -0.152 68.724 68.868 0.014 0.000 0.862 156 T HN 0.383 nan 8.240 nan 0.000 0.438 157 K N 0.504 120.911 120.400 0.012 0.000 2.057 157 K HA 0.012 4.331 4.320 -0.002 0.000 0.206 157 K C 2.133 178.740 176.600 0.011 0.000 1.050 157 K CA 0.866 57.159 56.287 0.010 0.000 0.935 157 K CB -0.371 32.134 32.500 0.008 0.000 0.715 157 K HN 0.147 nan 8.250 nan 0.000 0.439 158 L N 1.193 122.423 121.223 0.012 0.000 2.127 158 L HA -0.183 4.156 4.340 -0.002 0.000 0.211 158 L C 2.076 178.954 176.870 0.014 0.000 1.089 158 L CA 1.534 56.381 54.840 0.013 0.000 0.757 158 L CB -0.575 41.493 42.059 0.015 0.000 0.899 158 L HN 0.165 nan 8.230 nan 0.000 0.434 159 L N -1.089 120.144 121.223 0.016 0.000 2.044 159 L HA -0.125 4.214 4.340 -0.002 0.000 0.205 159 L C 2.186 179.064 176.870 0.014 0.000 1.075 159 L CA 0.869 55.719 54.840 0.017 0.000 0.747 159 L CB -0.583 41.489 42.059 0.021 0.000 0.903 159 L HN 0.342 nan 8.230 nan 0.000 0.435 160 N N -0.155 118.552 118.700 0.012 0.000 2.364 160 N HA -0.144 4.595 4.740 -0.002 0.000 0.183 160 N C 0.666 176.180 175.510 0.008 0.000 1.022 160 N CA 0.557 53.612 53.050 0.009 0.000 0.883 160 N CB -0.472 38.020 38.487 0.008 0.000 0.965 160 N HN 0.382 nan 8.380 nan 0.000 0.438 161 D N 1.496 121.901 120.400 0.009 0.000 2.515 161 D HA -0.099 4.540 4.640 -0.002 0.000 0.232 161 D C 0.721 177.025 176.300 0.007 0.000 1.157 161 D CA 0.537 54.541 54.000 0.007 0.000 0.871 161 D CB 1.125 41.929 40.800 0.008 0.000 1.200 161 D HN 0.213 nan 8.370 nan 0.000 0.466 162 E N 1.227 121.431 120.200 0.005 0.000 2.028 162 E HA -0.121 4.228 4.350 -0.002 0.000 0.190 162 E C 0.443 177.046 176.600 0.005 0.000 0.984 162 E CA 0.218 56.621 56.400 0.005 0.000 0.800 162 E CB -0.009 29.693 29.700 0.004 0.000 0.758 162 E HN 0.529 nan 8.360 nan 0.000 0.448 163 D N 1.274 121.677 120.400 0.005 0.000 2.554 163 D HA -0.136 4.503 4.640 -0.002 0.000 0.251 163 D C 0.888 177.191 176.300 0.006 0.000 1.213 163 D CA 0.304 54.307 54.000 0.005 0.000 0.900 163 D CB 1.083 41.886 40.800 0.005 0.000 1.135 163 D HN 0.018 nan 8.370 nan 0.000 0.522 164 Q N 3.250 123.053 119.800 0.005 0.000 2.061 164 Q HA -0.161 4.178 4.340 -0.002 0.000 0.204 164 Q C 1.909 177.913 176.000 0.006 0.000 0.984 164 Q CA 1.701 57.507 55.803 0.005 0.000 0.846 164 Q CB -0.325 28.416 28.738 0.004 0.000 0.902 164 Q HN 0.538 nan 8.270 nan 0.000 0.421 165 V N -0.429 119.489 119.914 0.005 0.000 2.469 165 V HA -0.241 3.878 4.120 -0.002 0.000 0.251 165 V C 2.246 178.345 176.094 0.008 0.000 1.064 165 V CA 1.522 63.825 62.300 0.006 0.000 1.066 165 V CB -0.656 31.170 31.823 0.005 0.000 0.667 165 V HN 0.227 nan 8.190 nan 0.000 0.461 166 V N -0.289 119.630 119.914 0.008 0.000 2.270 166 V HA -0.209 3.910 4.120 -0.002 0.000 0.245 166 V C 2.440 178.541 176.094 0.012 0.000 1.043 166 V CA 1.917 64.223 62.300 0.010 0.000 1.014 166 V CB -0.475 31.353 31.823 0.009 0.000 0.645 166 V HN 0.407 nan 8.190 nan 0.000 0.447 167 V N 0.945 120.866 119.914 0.012 0.000 2.282 167 V HA -0.360 3.758 4.120 -0.002 0.000 0.249 167 V C 2.115 178.219 176.094 0.017 0.000 1.057 167 V CA 2.593 64.901 62.300 0.014 0.000 1.032 167 V CB -1.258 30.572 31.823 0.013 0.000 0.645 167 V HN 0.654 nan 8.190 nan 0.000 0.447 168 N N 0.137 118.845 118.700 0.014 0.000 2.021 168 N HA -0.270 4.469 4.740 -0.002 0.000 0.198 168 N C 1.862 177.384 175.510 0.020 0.000 1.041 168 N CA 1.759 54.817 53.050 0.014 0.000 0.862 168 N CB -0.297 38.195 38.487 0.009 0.000 1.048 168 N HN 0.522 nan 8.380 nan 0.000 0.427 169 K N 0.819 121.230 120.400 0.019 0.000 2.074 169 K HA -0.170 4.149 4.320 -0.002 0.000 0.209 169 K C 2.287 178.905 176.600 0.030 0.000 1.048 169 K CA 1.349 57.650 56.287 0.023 0.000 0.926 169 K CB -0.245 32.266 32.500 0.019 0.000 0.713 169 K HN 0.210 nan 8.250 nan 0.000 0.444 170 A N 1.721 124.557 122.820 0.028 0.000 1.865 170 A HA -0.185 4.133 4.320 -0.002 0.000 0.217 170 A C 2.461 180.072 177.584 0.045 0.000 1.191 170 A CA 2.107 54.163 52.037 0.032 0.000 0.623 170 A CB -0.981 18.035 19.000 0.027 0.000 0.826 170 A HN 0.359 nan 8.150 nan 0.000 0.444 171 A N -0.630 122.216 122.820 0.044 0.000 1.917 171 A HA -0.099 4.220 4.320 -0.002 0.000 0.219 171 A C 2.218 179.854 177.584 0.086 0.000 1.182 171 A CA 2.151 54.222 52.037 0.057 0.000 0.633 171 A CB -1.073 17.948 19.000 0.036 0.000 0.819 171 A HN 0.537 nan 8.150 nan 0.000 0.448 172 V N -0.449 119.509 119.914 0.072 0.000 2.515 172 V HA -0.281 3.837 4.120 -0.002 0.000 0.250 172 V C 2.560 178.724 176.094 0.117 0.000 1.058 172 V CA 2.103 64.462 62.300 0.098 0.000 1.064 172 V CB -0.730 31.131 31.823 0.064 0.000 0.675 172 V HN 0.569 nan 8.190 nan 0.000 0.461 173 M N -0.619 119.029 119.600 0.079 0.000 2.193 173 M HA -0.089 4.390 4.480 -0.002 0.000 0.265 173 M C 2.247 178.586 176.300 0.065 0.000 1.071 173 M CA 1.363 56.700 55.300 0.061 0.000 1.140 173 M CB -0.396 32.228 32.600 0.040 0.000 1.369 173 M HN 0.220 nan 8.290 nan 0.000 0.423 174 V N -0.350 119.610 119.914 0.076 0.000 2.343 174 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 174 V C 2.277 178.430 176.094 0.098 0.000 1.051 174 V CA 2.335 64.680 62.300 0.075 0.000 1.036 174 V CB -1.105 30.764 31.823 0.077 0.000 0.654 174 V HN 0.492 nan 8.190 nan 0.000 0.451 175 H N 0.249 119.344 119.070 0.042 0.000 2.387 175 H HA -0.173 4.382 4.556 -0.002 0.000 0.299 175 H C 2.282 177.637 175.328 0.045 0.000 1.090 175 H CA 2.145 58.224 56.048 0.051 0.000 1.332 175 H CB -0.038 29.760 29.762 0.060 0.000 1.386 175 H HN 0.479 nan 8.280 nan 0.000 0.516 176 Q N -0.372 119.419 119.800 -0.015 0.000 2.369 176 Q HA -0.030 4.309 4.340 -0.002 0.000 0.206 176 Q C 1.715 177.675 176.000 -0.065 0.000 0.963 176 Q CA 0.754 56.517 55.803 -0.066 0.000 0.894 176 Q CB 0.156 28.903 28.738 0.014 0.000 0.965 176 Q HN 0.551 nan 8.270 nan 0.000 0.475 177 L N -0.351 120.849 121.223 -0.037 0.000 2.249 177 L HA -0.042 4.297 4.340 -0.002 0.000 0.207 177 L C 2.533 179.387 176.870 -0.025 0.000 1.090 177 L CA 0.866 55.693 54.840 -0.022 0.000 0.802 177 L CB -0.274 41.785 42.059 0.000 0.000 0.947 177 L HN 0.241 nan 8.230 nan 0.000 0.453 178 S N 0.136 115.811 115.700 -0.042 0.000 2.399 178 S HA -0.207 4.262 4.470 -0.002 0.000 0.231 178 S C 1.855 176.436 174.600 -0.032 0.000 1.022 178 S CA 0.939 59.127 58.200 -0.020 0.000 0.983 178 S CB -0.323 62.868 63.200 -0.015 0.000 0.803 178 S HN 0.371 nan 8.310 nan 0.000 0.480 179 K N 1.557 121.895 120.400 -0.102 0.000 2.063 179 K HA -0.032 4.287 4.320 -0.002 0.000 0.208 179 K C 0.456 177.051 176.600 -0.010 0.000 1.048 179 K CA 0.987 57.228 56.287 -0.078 0.000 0.928 179 K CB -0.206 32.228 32.500 -0.110 0.000 0.713 179 K HN 0.448 nan 8.250 nan 0.000 0.442 180 K N 1.590 121.989 120.400 -0.001 0.000 2.339 180 K HA 0.004 4.323 4.320 -0.002 0.000 0.286 180 K C 0.756 177.400 176.600 0.073 0.000 1.050 180 K CA -0.130 56.175 56.287 0.029 0.000 0.956 180 K CB 1.309 33.814 32.500 0.007 0.000 0.990 180 K HN 0.123 nan 8.250 nan 0.000 0.475 181 E N 3.231 123.505 120.200 0.122 0.000 2.038 181 E HA -0.294 4.055 4.350 -0.002 0.000 0.195 181 E C 1.776 178.507 176.600 0.218 0.000 1.000 181 E CA 1.676 58.198 56.400 0.205 0.000 0.803 181 E CB 0.029 29.862 29.700 0.222 0.000 0.750 181 E HN 0.752 nan 8.360 nan 0.000 0.448 182 A N 0.620 123.514 122.820 0.122 0.000 1.859 182 A HA -0.241 4.078 4.320 -0.002 0.000 0.217 182 A C 2.421 179.934 177.584 -0.118 0.000 1.198 182 A CA 2.374 54.263 52.037 -0.247 0.000 0.629 182 A CB -0.898 17.762 19.000 -0.567 0.000 0.830 182 A HN 0.347 nan 8.150 nan 0.000 0.446 183 S N -1.075 114.589 115.700 -0.060 0.000 2.399 183 S HA -0.137 4.331 4.470 -0.002 0.000 0.231 183 S C 1.998 176.612 174.600 0.023 0.000 1.022 183 S CA 1.172 59.356 58.200 -0.028 0.000 0.983 183 S CB -0.344 62.843 63.200 -0.022 0.000 0.803 183 S HN 0.610 nan 8.310 nan 0.000 0.480 184 R N 0.595 121.134 120.500 0.065 0.000 2.088 184 R HA -0.182 4.157 4.340 -0.002 0.000 0.232 184 R C 2.120 178.454 176.300 0.056 0.000 1.136 184 R CA 1.917 58.063 56.100 0.077 0.000 0.926 184 R CB -0.450 29.922 30.300 0.120 0.000 0.837 184 R HN 0.398 nan 8.270 nan 0.000 0.429 185 H N -0.151 118.893 119.070 -0.043 0.000 2.390 185 H HA -0.129 4.426 4.556 -0.002 0.000 0.298 185 H C 1.860 177.173 175.328 -0.026 0.000 1.106 185 H CA 1.803 57.821 56.048 -0.050 0.000 1.297 185 H CB -0.326 29.415 29.762 -0.034 0.000 1.375 185 H HN 0.464 nan 8.280 nan 0.000 0.509 186 A N 0.693 123.565 122.820 0.087 0.000 1.851 186 A HA -0.164 4.155 4.320 -0.002 0.000 0.216 186 A C 2.440 180.039 177.584 0.026 0.000 1.195 186 A CA 1.827 53.885 52.037 0.036 0.000 0.622 186 A CB -0.841 18.160 19.000 0.003 0.000 0.831 186 A HN 0.382 nan 8.150 nan 0.000 0.444 187 I N -0.843 119.741 120.570 0.024 0.000 2.264 187 I HA -0.266 3.903 4.170 -0.002 0.000 0.248 187 I C 2.634 178.764 176.117 0.022 0.000 1.111 187 I CA 1.800 63.115 61.300 0.025 0.000 1.382 187 I CB -0.282 37.737 38.000 0.032 0.000 1.060 187 I HN 0.461 nan 8.210 nan 0.000 0.418 188 M N 0.373 119.977 119.600 0.007 0.000 2.630 188 M HA -0.074 4.405 4.480 -0.002 0.000 0.254 188 M C 1.661 177.959 176.300 -0.004 0.000 1.092 188 M CA 1.442 56.735 55.300 -0.012 0.000 1.087 188 M CB -0.028 32.516 32.600 -0.093 0.000 1.453 188 M HN 0.098 nan 8.290 nan 0.000 0.509 189 R N -1.263 119.244 120.500 0.012 0.000 2.437 189 R HA 0.199 4.537 4.340 -0.002 0.000 0.257 189 R C 0.292 176.605 176.300 0.021 0.000 0.927 189 R CA -0.084 56.028 56.100 0.020 0.000 1.078 189 R CB 0.750 31.069 30.300 0.032 0.000 1.161 189 R HN 0.087 nan 8.270 nan 0.000 0.529 190 S N 1.777 117.489 115.700 0.020 0.000 2.466 190 S HA 0.251 4.720 4.470 -0.002 0.000 0.313 190 S C -1.962 172.649 174.600 0.020 0.000 1.078 190 S CA -1.923 56.288 58.200 0.019 0.000 1.115 190 S CB 0.895 64.106 63.200 0.017 0.000 1.006 190 S HN -0.083 nan 8.310 nan 0.000 0.487 191 P HA -0.125 nan 4.420 nan 0.000 0.222 191 P C 0.980 178.288 177.300 0.014 0.000 1.142 191 P CA 1.124 64.234 63.100 0.017 0.000 0.788 191 P CB 0.189 31.898 31.700 0.014 0.000 0.767 192 Q N -1.948 117.860 119.800 0.013 0.000 2.134 192 Q HA -0.024 4.315 4.340 -0.002 0.000 0.195 192 Q C 2.091 178.100 176.000 0.015 0.000 0.958 192 Q CA 0.923 56.733 55.803 0.012 0.000 0.840 192 Q CB -0.566 28.178 28.738 0.010 0.000 0.918 192 Q HN 0.150 nan 8.270 nan 0.000 0.467 193 M N 0.892 120.503 119.600 0.018 0.000 2.117 193 M HA -0.132 4.347 4.480 -0.002 0.000 0.262 193 M C 1.846 178.163 176.300 0.028 0.000 1.065 193 M CA 1.492 56.806 55.300 0.022 0.000 1.114 193 M CB -0.328 32.286 32.600 0.023 0.000 1.361 193 M HN 0.002 nan 8.290 nan 0.000 0.408 194 V N -0.383 119.548 119.914 0.028 0.000 2.223 194 V HA -0.265 3.854 4.120 -0.002 0.000 0.244 194 V C 2.293 178.405 176.094 0.029 0.000 1.045 194 V CA 2.207 64.527 62.300 0.034 0.000 1.000 194 V CB -1.411 30.433 31.823 0.035 0.000 0.635 194 V HN 0.564 nan 8.190 nan 0.000 0.445 195 S N 0.247 115.959 115.700 0.020 0.000 2.407 195 S HA -0.265 4.204 4.470 -0.002 0.000 0.235 195 S C 2.125 176.734 174.600 0.015 0.000 1.036 195 S CA 1.571 59.779 58.200 0.013 0.000 1.013 195 S CB -0.590 62.613 63.200 0.005 0.000 0.820 195 S HN 0.674 nan 8.310 nan 0.000 0.476 196 A N 1.421 124.252 122.820 0.018 0.000 1.873 196 A HA -0.002 4.317 4.320 -0.002 0.000 0.215 196 A C 2.066 179.665 177.584 0.024 0.000 1.186 196 A CA 1.141 53.190 52.037 0.019 0.000 0.616 196 A CB -0.641 18.371 19.000 0.020 0.000 0.823 196 A HN 0.489 nan 8.150 nan 0.000 0.442 197 I N -0.274 120.316 120.570 0.032 0.000 2.226 197 I HA -0.226 3.943 4.170 -0.002 0.000 0.245 197 I C 2.357 178.497 176.117 0.038 0.000 1.100 197 I CA 1.188 62.513 61.300 0.040 0.000 1.374 197 I CB -0.493 37.539 38.000 0.053 0.000 1.057 197 I HN 0.149 nan 8.210 nan 0.000 0.413 198 V N 0.933 120.867 119.914 0.034 0.000 2.255 198 V HA -0.326 3.793 4.120 -0.002 0.000 0.247 198 V C 2.663 178.771 176.094 0.023 0.000 1.051 198 V CA 2.184 64.502 62.300 0.031 0.000 1.018 198 V CB -0.847 30.991 31.823 0.025 0.000 0.641 198 V HN 0.425 nan 8.190 nan 0.000 0.445 199 R N -0.091 120.419 120.500 0.017 0.000 2.097 199 R HA -0.225 4.114 4.340 -0.002 0.000 0.236 199 R C 2.413 178.721 176.300 0.014 0.000 1.135 199 R CA 2.531 58.638 56.100 0.012 0.000 0.934 199 R CB -0.799 29.507 30.300 0.010 0.000 0.846 199 R HN 0.552 nan 8.270 nan 0.000 0.431 200 T N 1.374 115.939 114.554 0.017 0.000 2.699 200 T HA -0.255 4.094 4.350 -0.002 0.000 0.268 200 T C 1.700 176.410 174.700 0.017 0.000 1.036 200 T CA 1.871 63.981 62.100 0.017 0.000 1.147 200 T CB -0.227 68.653 68.868 0.021 0.000 0.862 200 T HN 0.360 nan 8.240 nan 0.000 0.446 201 M N 1.293 120.907 119.600 0.022 0.000 2.159 201 M HA -0.166 4.313 4.480 -0.002 0.000 0.263 201 M C 2.378 178.688 176.300 0.017 0.000 1.063 201 M CA 1.639 56.952 55.300 0.023 0.000 1.110 201 M CB -0.192 32.427 32.600 0.033 0.000 1.374 201 M HN 0.366 nan 8.290 nan 0.000 0.411 202 Q N -1.531 118.279 119.800 0.016 0.000 2.425 202 Q HA 0.012 4.351 4.340 -0.002 0.000 0.204 202 Q C 0.527 176.532 176.000 0.009 0.000 0.933 202 Q CA 0.647 56.457 55.803 0.013 0.000 0.939 202 Q CB -0.025 28.720 28.738 0.012 0.000 1.044 202 Q HN 0.526 nan 8.270 nan 0.000 0.513 203 N N 0.455 119.160 118.700 0.009 0.000 2.273 203 N HA 0.014 4.752 4.740 -0.002 0.000 0.192 203 N C -0.012 175.501 175.510 0.005 0.000 1.132 203 N CA 0.345 53.399 53.050 0.006 0.000 0.887 203 N CB 0.994 39.484 38.487 0.006 0.000 1.048 203 N HN 0.137 nan 8.380 nan 0.000 0.490 204 T N 0.576 115.134 114.554 0.006 0.000 2.919 204 T HA 0.186 4.535 4.350 -0.002 0.000 0.302 204 T C 0.652 175.353 174.700 0.002 0.000 1.031 204 T CA 0.105 62.208 62.100 0.004 0.000 1.127 204 T CB 0.389 69.260 68.868 0.005 0.000 0.952 204 T HN 0.148 nan 8.240 nan 0.000 0.540 205 N N 2.785 121.485 118.700 0.000 0.000 2.204 205 N HA 0.097 4.835 4.740 -0.002 0.000 0.219 205 N C -0.803 174.704 175.510 -0.005 0.000 1.151 205 N CA -0.308 52.741 53.050 -0.002 0.000 0.867 205 N CB 0.508 38.994 38.487 -0.001 0.000 1.043 205 N HN 0.572 nan 8.380 nan 0.000 0.516 206 D N 1.585 121.982 120.400 -0.005 0.000 2.233 206 D HA 0.047 4.686 4.640 -0.002 0.000 0.240 206 D C 1.602 177.894 176.300 -0.013 0.000 1.074 206 D CA -0.429 53.566 54.000 -0.008 0.000 0.838 206 D CB 2.188 42.985 40.800 -0.005 0.000 1.124 206 D HN -0.057 nan 8.370 nan 0.000 0.475 207 V N 2.312 122.216 119.914 -0.017 0.000 2.568 207 V HA -0.162 3.957 4.120 -0.002 0.000 0.253 207 V C 1.542 177.616 176.094 -0.032 0.000 1.072 207 V CA 1.259 63.544 62.300 -0.026 0.000 1.084 207 V CB -0.348 31.457 31.823 -0.029 0.000 0.676 207 V HN 0.404 nan 8.190 nan 0.000 0.469 208 E N 0.795 120.979 120.200 -0.027 0.000 2.122 208 E HA -0.043 4.306 4.350 -0.002 0.000 0.190 208 E C 2.386 178.966 176.600 -0.033 0.000 0.977 208 E CA 1.669 58.050 56.400 -0.031 0.000 0.820 208 E CB -0.730 28.958 29.700 -0.020 0.000 0.770 208 E HN 0.705 nan 8.360 nan 0.000 0.462 209 T N 1.640 116.182 114.554 -0.019 0.000 2.746 209 T HA -0.102 4.247 4.350 -0.002 0.000 0.267 209 T C 1.955 176.646 174.700 -0.014 0.000 1.039 209 T CA 1.484 63.577 62.100 -0.012 0.000 1.142 209 T CB -0.180 68.687 68.868 -0.001 0.000 0.866 209 T HN 0.247 nan 8.240 nan 0.000 0.444 210 A N 2.822 125.632 122.820 -0.015 0.000 1.845 210 A HA -0.166 4.153 4.320 -0.002 0.000 0.215 210 A C 2.336 179.909 177.584 -0.017 0.000 1.195 210 A CA 1.936 53.967 52.037 -0.010 0.000 0.616 210 A CB -0.653 18.340 19.000 -0.012 0.000 0.832 210 A HN 0.654 nan 8.150 nan 0.000 0.443 211 R N -0.719 119.754 120.500 -0.045 0.000 2.139 211 R HA -0.159 4.180 4.340 -0.002 0.000 0.243 211 R C 2.017 178.263 176.300 -0.091 0.000 1.145 211 R CA 1.823 57.881 56.100 -0.071 0.000 0.976 211 R CB -1.186 29.055 30.300 -0.099 0.000 0.866 211 R HN 0.470 nan 8.270 nan 0.000 0.449 212 C N 1.057 120.277 119.300 -0.134 0.000 2.544 212 C HA 0.011 4.469 4.460 -0.002 0.000 0.280 212 C C 3.071 178.007 174.990 -0.091 0.000 1.295 212 C CA 1.062 59.915 59.018 -0.274 0.000 1.702 212 C CB -0.429 27.207 27.740 -0.172 0.000 2.090 212 C HN 0.740 nan 8.230 nan 0.000 0.493 213 T N -0.256 114.296 114.554 -0.002 0.000 2.720 213 T HA -0.160 4.189 4.350 -0.002 0.000 0.268 213 T C 1.753 176.506 174.700 0.087 0.000 1.037 213 T CA 2.214 64.346 62.100 0.053 0.000 1.144 213 T CB -0.608 68.284 68.868 0.040 0.000 0.864 213 T HN 0.445 nan 8.240 nan 0.000 0.444 214 S N 1.563 117.315 115.700 0.087 0.000 2.355 214 S HA 0.093 4.562 4.470 -0.002 0.000 0.222 214 S C 2.517 177.264 174.600 0.244 0.000 1.031 214 S CA 1.002 59.285 58.200 0.140 0.000 0.993 214 S CB -1.190 62.084 63.200 0.124 0.000 0.859 214 S HN 0.763 nan 8.310 nan 0.000 0.453 215 G N 1.383 110.374 108.800 0.319 0.000 2.442 215 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.219 215 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.219 215 G C 1.440 176.541 174.900 0.335 0.000 1.141 215 G CA 1.622 46.978 45.100 0.427 0.000 0.763 215 G HN 0.485 nan 8.290 nan 0.000 0.554 216 T N 1.587 116.348 114.554 0.345 0.000 2.643 216 T HA -0.074 4.274 4.350 -0.002 0.000 0.264 216 T C 2.385 177.196 174.700 0.186 0.000 1.045 216 T CA 1.087 63.379 62.100 0.319 0.000 1.155 216 T CB -0.361 68.659 68.868 0.254 0.000 0.863 216 T HN 0.168 nan 8.240 nan 0.000 0.420 217 L N 0.255 121.571 121.223 0.156 0.000 2.263 217 L HA -0.202 4.137 4.340 -0.002 0.000 0.216 217 L C 2.465 179.408 176.870 0.122 0.000 1.111 217 L CA 1.493 56.403 54.840 0.117 0.000 0.773 217 L CB -0.728 41.389 42.059 0.098 0.000 0.906 217 L HN 0.520 nan 8.230 nan 0.000 0.439 218 H N 0.536 119.603 119.070 -0.005 0.000 2.307 218 H HA -0.109 4.446 4.556 -0.002 0.000 0.303 218 H C 1.881 177.131 175.328 -0.131 0.000 1.073 218 H CA 1.514 57.493 56.048 -0.115 0.000 1.338 218 H CB 0.224 29.857 29.762 -0.215 0.000 1.389 218 H HN 0.409 nan 8.280 nan 0.000 0.503 219 N N 0.269 118.969 118.700 0.000 0.000 2.520 219 N HA -0.088 4.651 4.740 -0.002 0.000 0.185 219 N C 1.477 177.040 175.510 0.088 0.000 1.068 219 N CA 0.264 53.327 53.050 0.023 0.000 0.911 219 N CB 0.254 38.748 38.487 0.013 0.000 0.961 219 N HN 0.386 nan 8.380 nan 0.000 0.446 220 L N -0.091 121.176 121.223 0.074 0.000 2.253 220 L HA 0.009 4.348 4.340 -0.002 0.000 0.205 220 L C 2.492 179.397 176.870 0.057 0.000 1.078 220 L CA 0.386 55.289 54.840 0.105 0.000 0.805 220 L CB -0.326 41.786 42.059 0.088 0.000 0.963 220 L HN 0.176 nan 8.230 nan 0.000 0.459 221 S N -1.335 114.354 115.700 -0.018 0.000 2.419 221 S HA -0.218 4.251 4.470 -0.002 0.000 0.235 221 S C 1.756 176.287 174.600 -0.114 0.000 1.019 221 S CA 0.867 59.032 58.200 -0.057 0.000 0.982 221 S CB -0.667 62.482 63.200 -0.084 0.000 0.789 221 S HN 0.430 nan 8.310 nan 0.000 0.490 222 H N 1.317 120.307 119.070 -0.132 0.000 2.568 222 H HA 0.122 4.677 4.556 -0.002 0.000 0.281 222 H C 0.017 175.034 175.328 -0.517 0.000 1.028 222 H CA 0.961 56.816 56.048 -0.321 0.000 1.199 222 H CB -0.228 29.268 29.762 -0.442 0.000 1.352 222 H HN 0.574 nan 8.280 nan 0.000 0.605 223 H N -0.440 118.658 119.070 0.047 0.000 2.637 223 H HA 0.175 4.730 4.556 -0.002 0.000 0.363 223 H C 1.254 176.565 175.328 -0.030 0.000 1.131 223 H CA -0.538 55.498 56.048 -0.018 0.000 1.183 223 H CB 2.013 31.724 29.762 -0.085 0.000 1.637 223 H HN 0.053 nan 8.280 nan 0.000 0.531 224 R N 1.363 121.915 120.500 0.087 0.000 2.096 224 R HA -0.193 4.146 4.340 -0.002 0.000 0.240 224 R C 0.830 177.157 176.300 0.045 0.000 1.139 224 R CA 2.105 58.228 56.100 0.038 0.000 0.952 224 R CB 0.272 30.584 30.300 0.020 0.000 0.854 224 R HN 0.542 nan 8.270 nan 0.000 0.436 225 E N -0.678 119.544 120.200 0.036 0.000 2.051 225 E HA -0.101 4.248 4.350 -0.002 0.000 0.192 225 E C 1.877 178.500 176.600 0.038 0.000 0.991 225 E CA 1.427 57.839 56.400 0.020 0.000 0.799 225 E CB -0.594 29.086 29.700 -0.033 0.000 0.748 225 E HN 0.572 nan 8.360 nan 0.000 0.449 226 G N 0.982 109.812 108.800 0.051 0.000 2.459 226 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.217 226 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.217 226 G C 1.559 176.503 174.900 0.073 0.000 1.183 226 G CA 0.990 46.129 45.100 0.065 0.000 0.776 226 G HN 0.159 nan 8.290 nan 0.000 0.552 227 L N -0.340 120.924 121.223 0.068 0.000 1.990 227 L HA -0.110 4.228 4.340 -0.002 0.000 0.213 227 L C 2.750 179.686 176.870 0.110 0.000 1.072 227 L CA 0.933 55.814 54.840 0.068 0.000 0.755 227 L CB -0.632 41.450 42.059 0.039 0.000 0.889 227 L HN 0.237 nan 8.230 nan 0.000 0.432 228 L N 0.134 121.416 121.223 0.098 0.000 2.042 228 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 228 L C 2.607 179.581 176.870 0.173 0.000 1.076 228 L CA 2.046 56.977 54.840 0.150 0.000 0.749 228 L CB -0.749 41.370 42.059 0.100 0.000 0.893 228 L HN 0.183 nan 8.230 nan 0.000 0.432 229 A N -0.042 122.845 122.820 0.112 0.000 1.835 229 A HA -0.205 4.114 4.320 -0.002 0.000 0.215 229 A C 2.252 179.895 177.584 0.097 0.000 1.199 229 A CA 2.189 54.277 52.037 0.086 0.000 0.615 229 A CB -1.012 18.024 19.000 0.060 0.000 0.838 229 A HN 0.477 nan 8.150 nan 0.000 0.444 230 I N -1.721 118.913 120.570 0.107 0.000 2.194 230 I HA -0.283 3.886 4.170 -0.002 0.000 0.246 230 I C 2.394 178.597 176.117 0.143 0.000 1.093 230 I CA 1.828 63.191 61.300 0.106 0.000 1.355 230 I CB -0.424 37.639 38.000 0.105 0.000 1.046 230 I HN 0.429 nan 8.210 nan 0.000 0.413 231 F N 1.944 121.905 119.950 0.018 0.000 2.186 231 F HA -0.169 4.357 4.527 -0.002 0.000 0.299 231 F C 2.363 178.171 175.800 0.014 0.000 1.090 231 F CA 1.637 59.646 58.000 0.016 0.000 1.307 231 F CB -0.250 38.761 39.000 0.018 0.000 1.019 231 F HN -0.124 nan 8.300 nan 0.000 0.489 232 K N -0.428 119.973 120.400 0.001 0.000 2.167 232 K HA -0.050 4.269 4.320 -0.002 0.000 0.203 232 K C 1.975 178.521 176.600 -0.090 0.000 1.052 232 K CA 1.261 57.491 56.287 -0.096 0.000 0.956 232 K CB -0.240 32.264 32.500 0.006 0.000 0.735 232 K HN 0.321 nan 8.250 nan 0.000 0.451 233 S N -0.122 115.557 115.700 -0.035 0.000 2.593 233 S HA 0.110 4.579 4.470 -0.002 0.000 0.217 233 S C 0.978 175.554 174.600 -0.040 0.000 0.966 233 S CA 0.151 58.336 58.200 -0.025 0.000 0.914 233 S CB 0.154 63.358 63.200 0.007 0.000 0.776 233 S HN 0.351 nan 8.310 nan 0.000 0.523 234 G N 0.381 109.135 108.800 -0.077 0.000 2.417 234 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.291 234 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.291 234 G C 0.586 175.477 174.900 -0.015 0.000 1.094 234 G CA -0.055 45.001 45.100 -0.073 0.000 1.146 234 G HN 0.869 nan 8.290 nan 0.000 0.519 235 G N -0.509 108.303 108.800 0.019 0.000 2.608 235 G HA2 0.254 4.212 3.960 -0.002 0.000 0.210 235 G HA3 0.254 4.212 3.960 -0.002 0.000 0.210 235 G C 1.797 176.728 174.900 0.053 0.000 1.139 235 G CA 0.778 45.904 45.100 0.043 0.000 0.812 235 G HN 0.598 nan 8.290 nan 0.000 0.529 236 I N 1.642 122.258 120.570 0.077 0.000 2.118 236 I HA -0.163 4.006 4.170 -0.002 0.000 0.241 236 I C -0.129 176.016 176.117 0.046 0.000 1.070 236 I CA 1.426 62.774 61.300 0.081 0.000 1.327 236 I CB -1.016 37.062 38.000 0.130 0.000 1.034 236 I HN 0.125 nan 8.210 nan 0.000 0.405 237 P HA -0.220 nan 4.420 nan 0.000 0.213 237 P C 1.562 178.872 177.300 0.017 0.000 1.170 237 P CA 2.175 65.285 63.100 0.016 0.000 0.902 237 P CB -0.075 31.626 31.700 0.001 0.000 0.789 238 A N -0.786 122.044 122.820 0.017 0.000 1.908 238 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 238 A C 2.277 179.875 177.584 0.024 0.000 1.181 238 A CA 1.662 53.711 52.037 0.019 0.000 0.627 238 A CB -1.761 17.251 19.000 0.020 0.000 0.818 238 A HN 0.103 nan 8.150 nan 0.000 0.445 239 L N -0.593 120.648 121.223 0.031 0.000 2.046 239 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 239 L C 2.565 179.452 176.870 0.028 0.000 1.077 239 L CA 1.247 56.106 54.840 0.033 0.000 0.747 239 L CB -0.636 41.444 42.059 0.037 0.000 0.896 239 L HN 0.268 nan 8.230 nan 0.000 0.432 240 V N 0.253 120.181 119.914 0.025 0.000 2.287 240 V HA -0.327 3.792 4.120 -0.002 0.000 0.248 240 V C 2.206 178.312 176.094 0.020 0.000 1.053 240 V CA 2.298 64.610 62.300 0.020 0.000 1.027 240 V CB -0.816 31.017 31.823 0.016 0.000 0.646 240 V HN 0.552 nan 8.190 nan 0.000 0.447 241 N N -0.500 118.210 118.700 0.018 0.000 2.364 241 N HA -0.191 4.548 4.740 -0.002 0.000 0.183 241 N C 1.513 177.034 175.510 0.019 0.000 1.022 241 N CA 1.149 54.209 53.050 0.016 0.000 0.883 241 N CB -0.200 38.294 38.487 0.013 0.000 0.965 241 N HN 0.333 nan 8.380 nan 0.000 0.438 242 M N -0.153 119.461 119.600 0.023 0.000 2.492 242 M HA 0.190 4.669 4.480 -0.002 0.000 0.262 242 M C 1.200 177.519 176.300 0.031 0.000 1.090 242 M CA 0.847 56.162 55.300 0.025 0.000 1.110 242 M CB -0.120 32.498 32.600 0.030 0.000 1.407 242 M HN 0.203 nan 8.290 nan 0.000 0.470 243 L N -1.451 119.794 121.223 0.038 0.000 2.362 243 L HA -0.018 4.321 4.340 -0.002 0.000 0.219 243 L C 2.065 178.965 176.870 0.049 0.000 1.134 243 L CA 0.901 55.774 54.840 0.056 0.000 0.807 243 L CB -1.016 41.073 42.059 0.051 0.000 0.927 243 L HN 0.445 nan 8.230 nan 0.000 0.447 244 G N -1.212 107.607 108.800 0.032 0.000 2.712 244 G HA2 -0.121 3.837 3.960 -0.002 0.000 0.212 244 G HA3 -0.121 3.837 3.960 -0.002 0.000 0.212 244 G C 0.820 175.730 174.900 0.017 0.000 1.142 244 G CA -0.012 45.103 45.100 0.025 0.000 0.789 244 G HN 0.241 nan 8.290 nan 0.000 0.535 245 S N 1.462 117.170 115.700 0.014 0.000 2.552 245 S HA 0.153 4.622 4.470 -0.002 0.000 0.289 245 S C -0.430 174.165 174.600 -0.007 0.000 1.304 245 S CA -0.645 57.556 58.200 0.001 0.000 1.063 245 S CB 1.352 64.550 63.200 -0.003 0.000 0.848 245 S HN 0.148 nan 8.310 nan 0.000 0.499 246 P HA 0.071 nan 4.420 nan 0.000 0.236 246 P C -0.103 177.175 177.300 -0.038 0.000 1.177 246 P CA 0.200 63.288 63.100 -0.020 0.000 0.773 246 P CB -0.019 31.672 31.700 -0.015 0.000 0.878 247 V N 2.495 122.382 119.914 -0.044 0.000 2.488 247 V HA 0.035 4.154 4.120 -0.002 0.000 0.277 247 V C 1.571 177.610 176.094 -0.093 0.000 1.046 247 V CA 0.094 62.355 62.300 -0.065 0.000 0.986 247 V CB 0.727 32.514 31.823 -0.061 0.000 0.989 247 V HN -0.017 nan 8.190 nan 0.000 0.475 248 D N 3.150 123.478 120.400 -0.120 0.000 2.088 248 D HA -0.166 4.473 4.640 -0.002 0.000 0.196 248 D C 2.270 178.469 176.300 -0.169 0.000 0.983 248 D CA 1.952 55.849 54.000 -0.173 0.000 0.846 248 D CB -0.313 40.376 40.800 -0.186 0.000 0.992 248 D HN 0.736 nan 8.370 nan 0.000 0.448 249 S N 1.087 116.674 115.700 -0.189 0.000 2.393 249 S HA -0.224 4.245 4.470 -0.002 0.000 0.234 249 S C 2.367 176.815 174.600 -0.253 0.000 1.064 249 S CA 2.036 60.087 58.200 -0.249 0.000 1.088 249 S CB -1.126 61.922 63.200 -0.254 0.000 0.939 249 S HN 0.134 nan 8.310 nan 0.000 0.448 250 V N 2.622 122.436 119.914 -0.167 0.000 2.255 250 V HA -0.177 3.942 4.120 -0.002 0.000 0.247 250 V C 2.650 178.729 176.094 -0.024 0.000 1.051 250 V CA 2.149 64.391 62.300 -0.096 0.000 1.018 250 V CB -0.996 30.793 31.823 -0.055 0.000 0.641 250 V HN 0.487 nan 8.190 nan 0.000 0.445 251 L N -1.550 119.656 121.223 -0.027 0.000 2.042 251 L HA -0.223 4.116 4.340 -0.002 0.000 0.210 251 L C 2.390 179.324 176.870 0.107 0.000 1.076 251 L CA 1.809 56.662 54.840 0.022 0.000 0.749 251 L CB -0.663 41.355 42.059 -0.068 0.000 0.893 251 L HN 0.283 nan 8.230 nan 0.000 0.432 252 F N 0.612 120.496 119.950 -0.110 0.000 2.025 252 F HA -0.297 4.229 4.527 -0.002 0.000 0.297 252 F C 2.685 178.557 175.800 0.119 0.000 1.132 252 F CA 2.032 60.047 58.000 0.024 0.000 1.191 252 F CB -0.605 38.375 39.000 -0.033 0.000 0.963 252 F HN 0.094 nan 8.300 nan 0.000 0.481 253 H N -1.011 118.133 119.070 0.123 0.000 2.387 253 H HA -0.142 4.413 4.556 -0.002 0.000 0.299 253 H C 2.232 177.471 175.328 -0.148 0.000 1.099 253 H CA 0.452 56.436 56.048 -0.108 0.000 1.315 253 H CB -0.293 29.507 29.762 0.064 0.000 1.380 253 H HN 0.386 nan 8.280 nan 0.000 0.513 254 A N 1.411 124.287 122.820 0.093 0.000 1.841 254 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 254 A C 2.342 179.931 177.584 0.008 0.000 1.199 254 A CA 1.680 53.746 52.037 0.048 0.000 0.621 254 A CB -0.740 18.298 19.000 0.062 0.000 0.835 254 A HN 0.334 nan 8.150 nan 0.000 0.445 255 I N -0.109 120.480 120.570 0.030 0.000 2.264 255 I HA -0.190 3.979 4.170 -0.002 0.000 0.248 255 I C 2.375 178.447 176.117 -0.075 0.000 1.111 255 I CA 2.398 63.690 61.300 -0.013 0.000 1.382 255 I CB -0.622 37.393 38.000 0.025 0.000 1.060 255 I HN 0.368 nan 8.210 nan 0.000 0.418 256 T N -0.067 114.398 114.554 -0.149 0.000 2.595 256 T HA -0.199 4.150 4.350 -0.002 0.000 0.264 256 T C 1.817 176.426 174.700 -0.151 0.000 1.058 256 T CA 2.406 64.385 62.100 -0.202 0.000 1.166 256 T CB -0.751 67.838 68.868 -0.466 0.000 0.863 256 T HN 0.397 nan 8.240 nan 0.000 0.415 257 T N 2.570 117.006 114.554 -0.197 0.000 2.721 257 T HA -0.067 4.282 4.350 -0.002 0.000 0.268 257 T C 1.973 176.651 174.700 -0.036 0.000 1.038 257 T CA 1.034 63.073 62.100 -0.102 0.000 1.145 257 T CB -0.563 68.275 68.868 -0.051 0.000 0.858 257 T HN 0.239 nan 8.240 nan 0.000 0.459 258 L N -0.267 120.944 121.223 -0.020 0.000 2.046 258 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 258 L C 2.525 179.410 176.870 0.024 0.000 1.077 258 L CA 1.610 56.450 54.840 0.001 0.000 0.747 258 L CB -0.655 41.399 42.059 -0.009 0.000 0.896 258 L HN 0.464 nan 8.230 nan 0.000 0.432 259 H N 0.285 119.290 119.070 -0.109 0.000 2.352 259 H HA -0.173 4.382 4.556 -0.002 0.000 0.299 259 H C 2.110 177.360 175.328 -0.131 0.000 1.097 259 H CA 1.488 57.462 56.048 -0.122 0.000 1.311 259 H CB 0.341 30.026 29.762 -0.128 0.000 1.377 259 H HN 0.365 nan 8.280 nan 0.000 0.504 260 N N 0.759 119.422 118.700 -0.062 0.000 2.084 260 N HA -0.154 4.585 4.740 -0.002 0.000 0.190 260 N C 2.221 177.674 175.510 -0.096 0.000 1.030 260 N CA 1.117 54.099 53.050 -0.113 0.000 0.849 260 N CB -0.348 38.112 38.487 -0.045 0.000 1.012 260 N HN 0.392 nan 8.380 nan 0.000 0.423 261 L N 1.010 122.203 121.223 -0.050 0.000 2.083 261 L HA -0.099 4.240 4.340 -0.002 0.000 0.209 261 L C 2.245 179.050 176.870 -0.108 0.000 1.083 261 L CA 0.765 55.565 54.840 -0.066 0.000 0.752 261 L CB -0.417 41.627 42.059 -0.026 0.000 0.899 261 L HN 0.116 nan 8.230 nan 0.000 0.433 262 L N -0.799 120.378 121.223 -0.076 0.000 2.291 262 L HA -0.161 4.178 4.340 -0.002 0.000 0.214 262 L C 2.223 179.020 176.870 -0.121 0.000 1.120 262 L CA 0.780 55.577 54.840 -0.072 0.000 0.799 262 L CB -0.185 41.860 42.059 -0.024 0.000 0.925 262 L HN 0.311 nan 8.230 nan 0.000 0.446 263 L N -1.735 119.346 121.223 -0.237 0.000 2.221 263 L HA 0.002 4.341 4.340 -0.002 0.000 0.202 263 L C 2.236 178.807 176.870 -0.499 0.000 1.074 263 L CA 0.453 55.029 54.840 -0.440 0.000 0.795 263 L CB -0.227 41.378 42.059 -0.757 0.000 0.960 263 L HN 0.321 nan 8.230 nan 0.000 0.458 264 H N -2.120 116.910 119.070 -0.067 0.000 2.855 264 H HA 0.148 4.703 4.556 -0.002 0.000 0.259 264 H C 0.438 175.702 175.328 -0.106 0.000 0.972 264 H CA -0.126 55.880 56.048 -0.070 0.000 1.213 264 H CB 0.454 30.182 29.762 -0.058 0.000 1.451 264 H HN 0.092 nan 8.280 nan 0.000 0.484 265 Q N 2.679 122.433 119.800 -0.077 0.000 2.307 265 Q HA 0.125 4.464 4.340 -0.002 0.000 0.259 265 Q C -0.365 175.442 176.000 -0.323 0.000 0.998 265 Q CA -0.222 55.441 55.803 -0.233 0.000 0.923 265 Q CB 0.823 29.351 28.738 -0.349 0.000 1.196 265 Q HN 0.104 nan 8.270 nan 0.000 0.416 266 E N 2.823 122.856 120.200 -0.278 0.000 2.415 266 E HA 0.308 4.657 4.350 -0.002 0.000 0.262 266 E C 0.932 177.338 176.600 -0.324 0.000 1.038 266 E CA 1.517 57.790 56.400 -0.211 0.000 0.921 266 E CB 0.187 29.825 29.700 -0.103 0.000 0.950 266 E HN 0.785 nan 8.360 nan 0.000 0.438 267 G N 2.883 111.600 108.800 -0.138 0.000 2.270 267 G HA2 -0.415 3.544 3.960 -0.002 0.000 0.268 267 G HA3 -0.415 3.544 3.960 -0.002 0.000 0.268 267 G C 1.237 176.128 174.900 -0.016 0.000 0.982 267 G CA 1.073 46.166 45.100 -0.013 0.000 0.628 267 G HN 0.954 nan 8.290 nan 0.000 0.544 268 A N 0.284 122.922 122.820 -0.304 0.000 1.917 268 A HA -0.066 4.253 4.320 -0.002 0.000 0.219 268 A C 2.233 179.827 177.584 0.017 0.000 1.182 268 A CA 2.409 54.348 52.037 -0.163 0.000 0.633 268 A CB -0.486 18.351 19.000 -0.273 0.000 0.819 268 A HN 0.604 nan 8.150 nan 0.000 0.448 269 K N -1.600 118.787 120.400 -0.022 0.000 1.978 269 K HA -0.213 4.106 4.320 -0.002 0.000 0.214 269 K C 2.068 178.686 176.600 0.029 0.000 1.049 269 K CA 1.769 58.056 56.287 -0.000 0.000 0.939 269 K CB -0.378 32.115 32.500 -0.012 0.000 0.721 269 K HN 0.431 nan 8.250 nan 0.000 0.441 270 M N 1.227 120.851 119.600 0.039 0.000 2.192 270 M HA -0.224 4.255 4.480 -0.002 0.000 0.259 270 M C 1.850 178.191 176.300 0.068 0.000 1.071 270 M CA 1.688 57.017 55.300 0.048 0.000 1.082 270 M CB -0.332 32.303 32.600 0.057 0.000 1.373 270 M HN 0.238 nan 8.290 nan 0.000 0.408 271 A N -1.260 121.630 122.820 0.116 0.000 1.832 271 A HA -0.044 4.275 4.320 -0.002 0.000 0.214 271 A C 2.091 179.721 177.584 0.078 0.000 1.204 271 A CA 1.666 53.779 52.037 0.126 0.000 0.606 271 A CB -1.205 17.953 19.000 0.264 0.000 0.849 271 A HN 0.323 nan 8.150 nan 0.000 0.445 272 V N 0.696 120.655 119.914 0.075 0.000 2.370 272 V HA -0.361 3.757 4.120 -0.002 0.000 0.252 272 V C 2.651 178.758 176.094 0.021 0.000 1.068 272 V CA 2.449 64.774 62.300 0.041 0.000 1.061 272 V CB -1.041 30.796 31.823 0.023 0.000 0.656 272 V HN 0.501 nan 8.190 nan 0.000 0.455 273 R N -0.289 120.222 120.500 0.018 0.000 2.073 273 R HA -0.078 4.261 4.340 -0.002 0.000 0.234 273 R C 2.283 178.588 176.300 0.008 0.000 1.134 273 R CA 1.468 57.572 56.100 0.007 0.000 0.952 273 R CB -0.481 29.821 30.300 0.004 0.000 0.850 273 R HN 0.423 nan 8.270 nan 0.000 0.433 274 L N 0.317 121.548 121.223 0.014 0.000 2.265 274 L HA -0.088 4.251 4.340 -0.002 0.000 0.215 274 L C 2.198 179.072 176.870 0.008 0.000 1.117 274 L CA 0.768 55.614 54.840 0.010 0.000 0.782 274 L CB -0.380 41.686 42.059 0.012 0.000 0.914 274 L HN 0.234 nan 8.230 nan 0.000 0.441 275 A N -0.181 122.646 122.820 0.012 0.000 2.251 275 A HA 0.333 4.652 4.320 -0.002 0.000 0.209 275 A C 1.624 179.212 177.584 0.006 0.000 1.187 275 A CA 0.529 52.572 52.037 0.010 0.000 0.823 275 A CB -0.444 18.566 19.000 0.016 0.000 0.846 275 A HN 0.457 nan 8.150 nan 0.000 0.486 276 G N -1.079 107.723 108.800 0.004 0.000 2.295 276 G HA2 -0.155 3.803 3.960 -0.002 0.000 0.287 276 G HA3 -0.155 3.803 3.960 -0.002 0.000 0.287 276 G C 0.987 175.887 174.900 -0.001 0.000 1.055 276 G CA 0.579 45.679 45.100 0.000 0.000 0.922 276 G HN 1.120 nan 8.290 nan 0.000 0.503 277 G N -0.245 108.554 108.800 -0.002 0.000 2.395 277 G HA2 0.077 4.036 3.960 -0.002 0.000 0.214 277 G HA3 0.077 4.036 3.960 -0.002 0.000 0.214 277 G C 1.873 176.762 174.900 -0.018 0.000 1.177 277 G CA 1.014 46.110 45.100 -0.007 0.000 0.794 277 G HN 0.623 nan 8.290 nan 0.000 0.532 278 L N 0.186 121.396 121.223 -0.022 0.000 2.026 278 L HA -0.348 3.991 4.340 -0.002 0.000 0.231 278 L C 3.176 180.030 176.870 -0.026 0.000 1.095 278 L CA 2.152 56.974 54.840 -0.030 0.000 0.810 278 L CB -0.812 41.232 42.059 -0.025 0.000 0.909 278 L HN 0.213 nan 8.230 nan 0.000 0.444 279 Q N 0.150 119.940 119.800 -0.016 0.000 1.998 279 Q HA -0.244 4.095 4.340 -0.002 0.000 0.209 279 Q C 2.128 178.124 176.000 -0.008 0.000 1.002 279 Q CA 1.950 57.746 55.803 -0.011 0.000 0.858 279 Q CB -0.342 28.393 28.738 -0.005 0.000 0.932 279 Q HN 0.394 nan 8.270 nan 0.000 0.416 280 K N -0.155 120.242 120.400 -0.004 0.000 2.160 280 K HA -0.143 4.176 4.320 -0.002 0.000 0.206 280 K C 2.082 178.683 176.600 0.001 0.000 1.047 280 K CA 1.599 57.889 56.287 0.005 0.000 0.930 280 K CB -0.213 32.293 32.500 0.009 0.000 0.720 280 K HN 0.282 nan 8.250 nan 0.000 0.450 281 M N 0.114 119.701 119.600 -0.022 0.000 2.193 281 M HA -0.114 4.365 4.480 -0.002 0.000 0.265 281 M C 2.195 178.459 176.300 -0.060 0.000 1.071 281 M CA 1.112 56.380 55.300 -0.052 0.000 1.140 281 M CB -0.170 32.381 32.600 -0.081 0.000 1.369 281 M HN -0.099 nan 8.290 nan 0.000 0.423 282 V N 0.737 120.623 119.914 -0.045 0.000 2.407 282 V HA -0.222 3.897 4.120 -0.002 0.000 0.248 282 V C 2.680 178.764 176.094 -0.017 0.000 1.055 282 V CA 1.904 64.180 62.300 -0.040 0.000 1.049 282 V CB -1.319 30.487 31.823 -0.029 0.000 0.662 282 V HN 0.506 nan 8.190 nan 0.000 0.455 283 A N -0.022 122.797 122.820 -0.001 0.000 1.972 283 A HA -0.115 4.204 4.320 -0.002 0.000 0.219 283 A C 2.137 179.745 177.584 0.041 0.000 1.169 283 A CA 1.502 53.550 52.037 0.019 0.000 0.635 283 A CB -0.520 18.493 19.000 0.023 0.000 0.810 283 A HN 0.534 nan 8.150 nan 0.000 0.446 284 L N -0.347 120.904 121.223 0.047 0.000 2.456 284 L HA -0.079 4.260 4.340 -0.002 0.000 0.224 284 L C 1.776 178.701 176.870 0.091 0.000 1.148 284 L CA 0.290 55.200 54.840 0.117 0.000 0.825 284 L CB -0.531 41.615 42.059 0.146 0.000 0.937 284 L HN 0.368 nan 8.230 nan 0.000 0.450 285 L N 0.077 121.306 121.223 0.011 0.000 2.642 285 L HA -0.176 4.163 4.340 -0.002 0.000 0.236 285 L C 1.820 178.721 176.870 0.052 0.000 1.169 285 L CA 0.627 55.461 54.840 -0.010 0.000 0.851 285 L CB -0.657 41.385 42.059 -0.029 0.000 0.968 285 L HN 0.363 nan 8.230 nan 0.000 0.453 286 N N -0.496 118.255 118.700 0.085 0.000 2.422 286 N HA -0.062 4.677 4.740 -0.002 0.000 0.181 286 N C 1.095 176.687 175.510 0.137 0.000 1.080 286 N CA 0.206 53.318 53.050 0.102 0.000 0.893 286 N CB 0.327 38.861 38.487 0.079 0.000 0.973 286 N HN 0.002 nan 8.380 nan 0.000 0.456 287 K N -0.368 120.139 120.400 0.178 0.000 2.244 287 K HA 0.006 4.325 4.320 -0.002 0.000 0.242 287 K C 0.969 177.696 176.600 0.213 0.000 1.082 287 K CA 1.105 57.517 56.287 0.207 0.000 0.841 287 K CB 0.124 32.847 32.500 0.371 0.000 1.129 287 K HN 0.316 nan 8.250 nan 0.000 0.516 288 T N -3.167 111.512 114.554 0.209 0.000 3.009 288 T HA 0.057 4.406 4.350 -0.002 0.000 0.267 288 T C 0.493 175.332 174.700 0.231 0.000 0.942 288 T CA -0.384 61.874 62.100 0.263 0.000 0.883 288 T CB -0.051 68.934 68.868 0.194 0.000 1.192 288 T HN 0.391 nan 8.240 nan 0.000 0.524 289 N N 3.300 122.116 118.700 0.193 0.000 2.406 289 N HA 0.066 4.805 4.740 -0.002 0.000 0.265 289 N C 1.794 177.392 175.510 0.146 0.000 1.203 289 N CA 0.385 53.538 53.050 0.172 0.000 0.945 289 N CB 1.487 40.098 38.487 0.206 0.000 1.165 289 N HN 0.321 nan 8.380 nan 0.000 0.485 290 V N 3.880 123.806 119.914 0.020 0.000 2.231 290 V HA -0.291 3.827 4.120 -0.002 0.000 0.250 290 V C 1.955 178.008 176.094 -0.068 0.000 1.058 290 V CA 1.541 63.773 62.300 -0.113 0.000 1.022 290 V CB -0.706 30.960 31.823 -0.262 0.000 0.640 290 V HN 0.566 nan 8.190 nan 0.000 0.445 291 K N -0.273 120.065 120.400 -0.103 0.000 2.281 291 K HA -0.125 4.193 4.320 -0.002 0.000 0.203 291 K C 1.961 178.677 176.600 0.194 0.000 1.046 291 K CA 1.902 58.232 56.287 0.071 0.000 0.938 291 K CB -0.416 32.155 32.500 0.118 0.000 0.737 291 K HN 0.617 nan 8.250 nan 0.000 0.458 292 F N 1.621 121.629 119.950 0.097 0.000 2.149 292 F HA -0.015 4.511 4.527 -0.002 0.000 0.294 292 F C 1.720 177.496 175.800 -0.039 0.000 1.095 292 F CA 0.854 58.886 58.000 0.054 0.000 1.276 292 F CB -0.316 38.792 39.000 0.180 0.000 1.023 292 F HN -0.182 nan 8.300 nan 0.000 0.480 293 L N 0.403 121.519 121.223 -0.179 0.000 2.043 293 L HA -0.258 4.081 4.340 -0.002 0.000 0.212 293 L C 2.823 179.521 176.870 -0.287 0.000 1.075 293 L CA 1.361 56.008 54.840 -0.321 0.000 0.752 293 L CB -1.460 40.449 42.059 -0.249 0.000 0.891 293 L HN 0.281 nan 8.230 nan 0.000 0.432 294 A N 0.563 123.304 122.820 -0.131 0.000 1.865 294 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 294 A C 2.177 179.653 177.584 -0.181 0.000 1.191 294 A CA 1.786 53.781 52.037 -0.070 0.000 0.623 294 A CB -0.610 18.468 19.000 0.129 0.000 0.826 294 A HN 0.286 nan 8.150 nan 0.000 0.444 295 I N 0.217 120.663 120.570 -0.208 0.000 2.151 295 I HA -0.224 3.944 4.170 -0.002 0.000 0.243 295 I C 2.575 178.408 176.117 -0.473 0.000 1.080 295 I CA 2.249 63.362 61.300 -0.311 0.000 1.339 295 I CB -2.163 35.689 38.000 -0.245 0.000 1.039 295 I HN 0.285 nan 8.210 nan 0.000 0.409 296 T N 0.897 115.137 114.554 -0.525 0.000 2.674 296 T HA -0.171 4.178 4.350 -0.002 0.000 0.265 296 T C 1.950 176.434 174.700 -0.359 0.000 1.039 296 T CA 2.562 64.373 62.100 -0.482 0.000 1.150 296 T CB -0.708 67.794 68.868 -0.611 0.000 0.864 296 T HN 0.591 nan 8.240 nan 0.000 0.427 297 T N 0.911 115.272 114.554 -0.322 0.000 2.699 297 T HA -0.233 4.116 4.350 -0.002 0.000 0.268 297 T C 1.736 176.277 174.700 -0.265 0.000 1.036 297 T CA 1.920 63.869 62.100 -0.251 0.000 1.147 297 T CB -0.791 67.948 68.868 -0.216 0.000 0.862 297 T HN 0.368 nan 8.240 nan 0.000 0.446 298 D N 0.342 120.553 120.400 -0.314 0.000 2.182 298 D HA -0.084 4.554 4.640 -0.002 0.000 0.201 298 D C 2.081 178.184 176.300 -0.329 0.000 0.986 298 D CA 1.131 54.932 54.000 -0.332 0.000 0.847 298 D CB -0.607 39.974 40.800 -0.364 0.000 0.942 298 D HN 0.572 nan 8.370 nan 0.000 0.467 299 C N -0.233 118.843 119.300 -0.374 0.000 2.453 299 C HA -0.014 4.445 4.460 -0.002 0.000 0.277 299 C C 2.748 177.630 174.990 -0.180 0.000 1.262 299 C CA 0.182 59.033 59.018 -0.278 0.000 1.718 299 C CB -1.221 26.357 27.740 -0.269 0.000 2.031 299 C HN 0.431 nan 8.230 nan 0.000 0.480 300 L N 0.855 121.971 121.223 -0.178 0.000 2.261 300 L HA -0.197 4.142 4.340 -0.002 0.000 0.216 300 L C 2.858 179.662 176.870 -0.110 0.000 1.114 300 L CA 1.239 56.003 54.840 -0.127 0.000 0.777 300 L CB -0.760 41.223 42.059 -0.127 0.000 0.910 300 L HN 0.489 nan 8.230 nan 0.000 0.440 301 Q N 0.938 120.652 119.800 -0.142 0.000 2.089 301 Q HA -0.109 4.230 4.340 -0.002 0.000 0.195 301 Q C 2.258 178.212 176.000 -0.076 0.000 0.963 301 Q CA 1.380 57.107 55.803 -0.128 0.000 0.834 301 Q CB 0.032 28.647 28.738 -0.205 0.000 0.906 301 Q HN 0.541 nan 8.270 nan 0.000 0.452 302 I N 0.970 121.484 120.570 -0.094 0.000 2.454 302 I HA -0.260 3.909 4.170 -0.002 0.000 0.254 302 I C 2.042 178.157 176.117 -0.004 0.000 1.156 302 I CA 0.764 62.036 61.300 -0.045 0.000 1.433 302 I CB -0.120 37.843 38.000 -0.061 0.000 1.082 302 I HN 0.144 nan 8.210 nan 0.000 0.432 303 L N -0.103 121.104 121.223 -0.027 0.000 2.416 303 L HA 0.109 4.448 4.340 -0.002 0.000 0.216 303 L C 2.599 179.465 176.870 -0.007 0.000 1.098 303 L CA 0.531 55.361 54.840 -0.018 0.000 0.840 303 L CB -0.383 41.654 42.059 -0.037 0.000 0.981 303 L HN 0.148 nan 8.230 nan 0.000 0.462 304 A N -0.811 122.009 122.820 0.000 0.000 1.943 304 A HA -0.111 4.208 4.320 -0.002 0.000 0.213 304 A C 0.845 178.448 177.584 0.032 0.000 1.181 304 A CA -0.037 52.002 52.037 0.003 0.000 0.653 304 A CB -0.432 18.563 19.000 -0.009 0.000 0.833 304 A HN 0.279 nan 8.150 nan 0.000 0.451 305 Y N 1.970 122.229 120.300 -0.069 0.000 2.887 305 Y HA 0.234 4.783 4.550 -0.001 0.000 0.350 305 Y C 1.331 177.199 175.900 -0.053 0.000 1.294 305 Y CA 0.629 58.690 58.100 -0.065 0.000 1.622 305 Y CB -0.591 37.826 38.460 -0.070 0.000 1.201 305 Y HN 0.665 nan 8.280 nan 0.000 0.546 306 G N 4.663 113.157 108.800 -0.510 0.000 2.249 306 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.273 306 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.273 306 G C -0.242 174.519 174.900 -0.232 0.000 1.036 306 G CA 0.342 45.157 45.100 -0.476 0.000 0.824 306 G HN 0.921 nan 8.290 nan 0.000 0.504 307 N N -0.391 118.224 118.700 -0.143 0.000 2.571 307 N HA 0.214 4.953 4.740 -0.002 0.000 0.286 307 N C 1.164 176.637 175.510 -0.062 0.000 1.138 307 N CA -0.284 52.715 53.050 -0.087 0.000 0.859 307 N CB 0.916 39.366 38.487 -0.062 0.000 1.414 307 N HN 0.330 nan 8.380 nan 0.000 0.529 308 Q N 1.446 121.212 119.800 -0.057 0.000 2.020 308 Q HA -0.186 4.153 4.340 -0.002 0.000 0.202 308 Q C 0.596 176.576 176.000 -0.032 0.000 0.982 308 Q CA 1.778 57.556 55.803 -0.042 0.000 0.838 308 Q CB 0.181 28.895 28.738 -0.039 0.000 0.899 308 Q HN 0.572 nan 8.270 nan 0.000 0.423 309 E N 0.800 120.982 120.200 -0.030 0.000 2.055 309 E HA -0.228 4.121 4.350 -0.002 0.000 0.209 309 E C 2.143 178.730 176.600 -0.022 0.000 1.036 309 E CA 1.858 58.245 56.400 -0.023 0.000 0.849 309 E CB -0.552 29.136 29.700 -0.021 0.000 0.767 309 E HN 0.146 nan 8.360 nan 0.000 0.461 310 S N 0.535 116.220 115.700 -0.024 0.000 2.365 310 S HA -0.243 4.226 4.470 -0.002 0.000 0.225 310 S C 1.747 176.333 174.600 -0.024 0.000 1.039 310 S CA 1.715 59.901 58.200 -0.023 0.000 1.033 310 S CB -0.312 62.873 63.200 -0.025 0.000 0.887 310 S HN 0.229 nan 8.310 nan 0.000 0.447 311 K N 0.932 121.317 120.400 -0.025 0.000 2.063 311 K HA -0.072 4.247 4.320 -0.002 0.000 0.208 311 K C 2.093 178.681 176.600 -0.019 0.000 1.048 311 K CA 1.219 57.492 56.287 -0.023 0.000 0.928 311 K CB -0.518 31.968 32.500 -0.023 0.000 0.713 311 K HN 0.319 nan 8.250 nan 0.000 0.442 312 L N 0.850 122.061 121.223 -0.019 0.000 2.017 312 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 312 L C 2.447 179.309 176.870 -0.014 0.000 1.073 312 L CA 1.248 56.078 54.840 -0.015 0.000 0.745 312 L CB -0.597 41.454 42.059 -0.015 0.000 0.894 312 L HN 0.174 nan 8.230 nan 0.000 0.432 313 I N 0.128 120.689 120.570 -0.015 0.000 2.208 313 I HA -0.322 3.847 4.170 -0.002 0.000 0.245 313 I C 2.423 178.531 176.117 -0.015 0.000 1.097 313 I CA 1.588 62.879 61.300 -0.014 0.000 1.363 313 I CB -0.302 37.689 38.000 -0.015 0.000 1.051 313 I HN 0.205 nan 8.210 nan 0.000 0.413 314 I N 0.150 120.708 120.570 -0.019 0.000 2.567 314 I HA -0.259 3.910 4.170 -0.002 0.000 0.257 314 I C 2.402 178.510 176.117 -0.016 0.000 1.184 314 I CA 0.917 62.204 61.300 -0.022 0.000 1.451 314 I CB -0.209 37.774 38.000 -0.028 0.000 1.089 314 I HN 0.279 nan 8.210 nan 0.000 0.441 315 L N 1.128 122.343 121.223 -0.013 0.000 2.127 315 L HA 0.105 4.444 4.340 -0.002 0.000 0.203 315 L C 2.350 179.216 176.870 -0.006 0.000 1.080 315 L CA 1.620 56.455 54.840 -0.009 0.000 0.768 315 L CB -0.547 41.507 42.059 -0.008 0.000 0.924 315 L HN 0.111 nan 8.230 nan 0.000 0.444 316 A N -1.952 120.863 122.820 -0.007 0.000 2.235 316 A HA 0.088 4.407 4.320 -0.002 0.000 0.208 316 A C 1.911 179.492 177.584 -0.004 0.000 1.172 316 A CA 1.049 53.083 52.037 -0.005 0.000 0.786 316 A CB -0.442 18.555 19.000 -0.006 0.000 0.804 316 A HN 0.452 nan 8.150 nan 0.000 0.479 317 S N -1.780 113.917 115.700 -0.006 0.000 2.559 317 S HA 0.393 4.862 4.470 -0.002 0.000 0.226 317 S C 1.270 175.869 174.600 -0.002 0.000 1.000 317 S CA 0.476 58.673 58.200 -0.005 0.000 0.948 317 S CB 0.511 63.706 63.200 -0.009 0.000 0.870 317 S HN 1.514 nan 8.310 nan 0.000 0.497 318 G N 1.399 110.198 108.800 -0.002 0.000 2.136 318 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.242 318 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.242 318 G C 0.907 175.807 174.900 -0.000 0.000 0.989 318 G CA 0.307 45.408 45.100 0.001 0.000 0.682 318 G HN 0.598 nan 8.290 nan 0.000 0.522 319 G N 1.016 109.812 108.800 -0.007 0.000 2.491 319 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.218 319 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.218 319 G C 0.174 175.070 174.900 -0.007 0.000 1.180 319 G CA 1.872 46.965 45.100 -0.013 0.000 0.774 319 G HN 0.545 nan 8.290 nan 0.000 0.562 320 P HA -0.214 nan 4.420 nan 0.000 0.212 320 P C 1.844 179.150 177.300 0.011 0.000 1.174 320 P CA 2.017 65.119 63.100 0.003 0.000 0.934 320 P CB -0.118 31.585 31.700 0.004 0.000 0.791 321 Q N -0.356 119.452 119.800 0.013 0.000 2.197 321 Q HA -0.203 4.135 4.340 -0.002 0.000 0.207 321 Q C 1.938 177.954 176.000 0.027 0.000 0.984 321 Q CA 2.298 58.113 55.803 0.020 0.000 0.869 321 Q CB -1.318 27.430 28.738 0.018 0.000 0.906 321 Q HN 0.165 nan 8.270 nan 0.000 0.426 322 A N -0.076 122.757 122.820 0.021 0.000 1.855 322 A HA -0.122 4.197 4.320 -0.002 0.000 0.215 322 A C 2.125 179.726 177.584 0.029 0.000 1.191 322 A CA 1.457 53.509 52.037 0.026 0.000 0.613 322 A CB -0.834 18.173 19.000 0.011 0.000 0.829 322 A HN 0.438 nan 8.150 nan 0.000 0.442 323 L N -0.373 120.856 121.223 0.011 0.000 1.989 323 L HA -0.200 4.139 4.340 -0.002 0.000 0.211 323 L C 2.570 179.463 176.870 0.039 0.000 1.071 323 L CA 1.425 56.269 54.840 0.007 0.000 0.749 323 L CB -0.822 41.231 42.059 -0.011 0.000 0.890 323 L HN 0.253 nan 8.230 nan 0.000 0.431 324 V N 0.370 120.310 119.914 0.042 0.000 2.282 324 V HA -0.371 3.747 4.120 -0.002 0.000 0.249 324 V C 2.088 178.233 176.094 0.085 0.000 1.057 324 V CA 2.454 64.790 62.300 0.060 0.000 1.032 324 V CB -0.985 30.865 31.823 0.045 0.000 0.645 324 V HN 0.537 nan 8.190 nan 0.000 0.447 325 N N -0.035 118.714 118.700 0.082 0.000 2.137 325 N HA -0.203 4.536 4.740 -0.002 0.000 0.190 325 N C 1.780 177.396 175.510 0.175 0.000 1.017 325 N CA 1.643 54.757 53.050 0.106 0.000 0.859 325 N CB -0.279 38.267 38.487 0.098 0.000 1.002 325 N HN 0.477 nan 8.380 nan 0.000 0.428 326 I N 0.851 121.535 120.570 0.190 0.000 2.163 326 I HA -0.238 3.931 4.170 -0.002 0.000 0.240 326 I C 2.212 178.503 176.117 0.290 0.000 1.081 326 I CA 0.909 62.379 61.300 0.284 0.000 1.353 326 I CB -0.255 37.796 38.000 0.085 0.000 1.054 326 I HN 0.155 nan 8.210 nan 0.000 0.407 327 M N 0.953 120.671 119.600 0.196 0.000 2.267 327 M HA -0.174 4.305 4.480 -0.002 0.000 0.263 327 M C 1.820 178.313 176.300 0.322 0.000 1.063 327 M CA 1.586 57.042 55.300 0.260 0.000 1.090 327 M CB -1.121 31.615 32.600 0.227 0.000 1.392 327 M HN 0.403 nan 8.290 nan 0.000 0.422 328 R N -1.155 119.463 120.500 0.197 0.000 2.586 328 R HA 0.261 4.599 4.340 -0.002 0.000 0.306 328 R C 0.330 176.684 176.300 0.090 0.000 1.079 328 R CA 0.205 56.377 56.100 0.121 0.000 1.083 328 R CB -0.073 30.268 30.300 0.068 0.000 1.306 328 R HN 0.087 nan 8.270 nan 0.000 0.567 329 T N -1.253 113.377 114.554 0.126 0.000 3.434 329 T HA 0.162 4.511 4.350 -0.002 0.000 0.279 329 T C -0.468 174.152 174.700 -0.133 0.000 0.955 329 T CA 0.130 62.202 62.100 -0.046 0.000 1.048 329 T CB -0.114 68.661 68.868 -0.155 0.000 1.186 329 T HN 0.085 nan 8.240 nan 0.000 0.485 330 Y N 1.867 122.227 120.300 0.099 0.000 2.480 330 Y HA 0.507 5.056 4.550 -0.002 0.000 0.323 330 Y C 1.781 177.755 175.900 0.123 0.000 1.267 330 Y CA -0.511 57.654 58.100 0.108 0.000 1.336 330 Y CB 0.610 39.141 38.460 0.117 0.000 1.361 330 Y HN 0.114 nan 8.280 nan 0.000 0.518 331 T N -4.222 110.514 114.554 0.303 0.000 3.016 331 T HA 0.071 4.419 4.350 -0.002 0.000 0.271 331 T C -0.226 174.605 174.700 0.217 0.000 0.968 331 T CA -0.151 62.077 62.100 0.213 0.000 0.891 331 T CB -0.634 68.331 68.868 0.161 0.000 1.149 331 T HN 0.385 nan 8.240 nan 0.000 0.524 332 Y N 4.193 124.572 120.300 0.131 0.000 2.828 332 Y HA 0.154 4.702 4.550 -0.002 0.000 0.359 332 Y C 1.695 177.630 175.900 0.058 0.000 1.258 332 Y CA -1.126 57.028 58.100 0.090 0.000 1.652 332 Y CB 0.115 38.630 38.460 0.092 0.000 1.232 332 Y HN 0.186 nan 8.280 nan 0.000 0.513 333 E N 4.670 124.753 120.200 -0.195 0.000 2.068 333 E HA -0.364 3.985 4.350 -0.002 0.000 0.207 333 E C 1.735 178.153 176.600 -0.304 0.000 1.032 333 E CA 2.265 58.528 56.400 -0.227 0.000 0.839 333 E CB -0.023 29.559 29.700 -0.196 0.000 0.758 333 E HN 0.841 nan 8.360 nan 0.000 0.457 334 K N -0.074 119.940 120.400 -0.642 0.000 2.152 334 K HA -0.187 4.132 4.320 -0.002 0.000 0.206 334 K C 2.361 178.890 176.600 -0.118 0.000 1.048 334 K CA 1.219 57.279 56.287 -0.379 0.000 0.933 334 K CB -0.196 31.989 32.500 -0.524 0.000 0.721 334 K HN 0.107 nan 8.250 nan 0.000 0.447 335 L N 1.168 122.289 121.223 -0.170 0.000 2.007 335 L HA -0.097 4.242 4.340 -0.002 0.000 0.205 335 L C 1.857 178.726 176.870 -0.002 0.000 1.073 335 L CA 1.456 56.331 54.840 0.059 0.000 0.744 335 L CB -0.650 41.531 42.059 0.204 0.000 0.898 335 L HN 0.169 nan 8.230 nan 0.000 0.435 336 L N -1.453 119.758 121.223 -0.020 0.000 1.997 336 L HA -0.306 4.033 4.340 -0.002 0.000 0.216 336 L C 2.462 179.322 176.870 -0.017 0.000 1.074 336 L CA 2.196 56.993 54.840 -0.071 0.000 0.763 336 L CB -1.143 40.786 42.059 -0.216 0.000 0.890 336 L HN 0.573 nan 8.230 nan 0.000 0.434 337 W N 1.252 122.461 121.300 -0.151 0.000 2.311 337 W HA -0.269 4.390 4.660 -0.002 0.000 0.326 337 W C 2.663 179.135 176.519 -0.078 0.000 1.239 337 W CA 2.481 59.761 57.345 -0.108 0.000 1.258 337 W CB -0.902 28.490 29.460 -0.112 0.000 1.165 337 W HN 0.002 nan 8.180 nan 0.000 0.466 338 T N 0.391 114.796 114.554 -0.247 0.000 2.778 338 T HA -0.247 4.102 4.350 -0.002 0.000 0.269 338 T C 1.564 176.061 174.700 -0.338 0.000 1.050 338 T CA 2.360 64.173 62.100 -0.479 0.000 1.137 338 T CB -0.794 67.939 68.868 -0.224 0.000 0.860 338 T HN 0.257 nan 8.240 nan 0.000 0.468 339 T N 2.028 116.464 114.554 -0.197 0.000 2.732 339 T HA -0.106 4.243 4.350 -0.002 0.000 0.261 339 T C 2.536 177.159 174.700 -0.128 0.000 1.040 339 T CA 1.548 63.564 62.100 -0.141 0.000 1.145 339 T CB -0.513 68.308 68.868 -0.078 0.000 0.866 339 T HN 0.637 nan 8.240 nan 0.000 0.427 340 S N 2.472 118.106 115.700 -0.110 0.000 2.370 340 S HA -0.201 4.268 4.470 -0.002 0.000 0.226 340 S C 2.055 176.596 174.600 -0.099 0.000 1.033 340 S CA 0.966 59.130 58.200 -0.060 0.000 1.011 340 S CB -0.531 62.664 63.200 -0.007 0.000 0.852 340 S HN 0.441 nan 8.310 nan 0.000 0.457 341 R N 0.779 121.138 120.500 -0.235 0.000 2.113 341 R HA -0.080 4.259 4.340 -0.002 0.000 0.244 341 R C 2.377 178.578 176.300 -0.165 0.000 1.142 341 R CA 1.726 57.670 56.100 -0.260 0.000 0.953 341 R CB -1.148 28.845 30.300 -0.512 0.000 0.860 341 R HN 0.396 nan 8.270 nan 0.000 0.438 342 V N 1.704 121.518 119.914 -0.168 0.000 2.332 342 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 342 V C 2.381 178.439 176.094 -0.060 0.000 1.055 342 V CA 1.772 64.005 62.300 -0.112 0.000 1.038 342 V CB -0.514 31.240 31.823 -0.115 0.000 0.651 342 V HN 0.294 nan 8.190 nan 0.000 0.450 343 L N -0.175 121.021 121.223 -0.046 0.000 2.046 343 L HA -0.219 4.119 4.340 -0.002 0.000 0.208 343 L C 2.622 179.497 176.870 0.008 0.000 1.077 343 L CA 1.984 56.818 54.840 -0.010 0.000 0.747 343 L CB -0.713 41.351 42.059 0.007 0.000 0.896 343 L HN 0.339 nan 8.230 nan 0.000 0.432 344 K N 0.475 120.882 120.400 0.012 0.000 2.032 344 K HA -0.178 4.141 4.320 -0.002 0.000 0.209 344 K C 1.865 178.477 176.600 0.020 0.000 1.048 344 K CA 1.717 58.027 56.287 0.039 0.000 0.927 344 K CB -0.029 32.504 32.500 0.055 0.000 0.712 344 K HN 0.148 nan 8.250 nan 0.000 0.441 345 V N 1.531 121.450 119.914 0.008 0.000 2.970 345 V HA -0.156 3.963 4.120 -0.002 0.000 0.260 345 V C 1.971 178.072 176.094 0.012 0.000 1.100 345 V CA 1.124 63.442 62.300 0.030 0.000 1.122 345 V CB -0.256 31.598 31.823 0.052 0.000 0.721 345 V HN 0.306 nan 8.190 nan 0.000 0.483 346 L N 0.138 121.363 121.223 0.003 0.000 2.408 346 L HA 0.034 4.373 4.340 -0.002 0.000 0.215 346 L C 2.556 179.430 176.870 0.005 0.000 1.081 346 L CA 0.960 55.799 54.840 -0.001 0.000 0.840 346 L CB -0.344 41.712 42.059 -0.006 0.000 1.002 346 L HN 0.466 nan 8.230 nan 0.000 0.468 347 S N 0.188 115.897 115.700 0.015 0.000 2.442 347 S HA -0.122 4.346 4.470 -0.002 0.000 0.236 347 S C 1.802 176.412 174.600 0.016 0.000 1.007 347 S CA 1.058 59.272 58.200 0.023 0.000 0.965 347 S CB -0.768 62.457 63.200 0.041 0.000 0.773 347 S HN 0.332 nan 8.310 nan 0.000 0.504 348 V N -1.014 118.904 119.914 0.008 0.000 2.951 348 V HA 0.202 4.321 4.120 -0.002 0.000 0.255 348 V C 1.480 177.569 176.094 -0.007 0.000 1.088 348 V CA 0.009 62.307 62.300 -0.002 0.000 1.109 348 V CB -1.678 30.138 31.823 -0.012 0.000 0.724 348 V HN 0.670 nan 8.190 nan 0.000 0.471 349 C N 3.063 122.359 119.300 -0.007 0.000 2.576 349 C HA 0.468 4.927 4.460 -0.002 0.000 0.401 349 C C 2.407 177.395 174.990 -0.005 0.000 1.314 349 C CA 0.359 59.371 59.018 -0.010 0.000 1.855 349 C CB 0.160 27.893 27.740 -0.012 0.000 2.537 349 C HN 0.748 nan 8.230 nan 0.000 0.578 350 S N 3.596 119.292 115.700 -0.006 0.000 2.507 350 S HA -0.085 4.384 4.470 -0.002 0.000 0.235 350 S C 1.434 176.033 174.600 -0.002 0.000 0.988 350 S CA 1.377 59.576 58.200 -0.002 0.000 0.944 350 S CB -0.130 63.068 63.200 -0.004 0.000 0.762 350 S HN 0.832 nan 8.310 nan 0.000 0.526 351 S N 2.362 118.059 115.700 -0.004 0.000 2.412 351 S HA 0.143 4.612 4.470 -0.002 0.000 0.223 351 S C 1.537 176.136 174.600 -0.002 0.000 1.048 351 S CA 0.595 58.793 58.200 -0.004 0.000 0.954 351 S CB -0.380 62.816 63.200 -0.007 0.000 0.840 351 S HN 0.584 nan 8.310 nan 0.000 0.503 352 N N 1.671 120.370 118.700 -0.003 0.000 2.354 352 N HA 0.068 4.807 4.740 -0.002 0.000 0.179 352 N C 1.444 176.956 175.510 0.004 0.000 1.021 352 N CA 0.538 53.587 53.050 -0.001 0.000 0.887 352 N CB -0.107 38.378 38.487 -0.003 0.000 0.974 352 N HN 0.338 nan 8.380 nan 0.000 0.437 353 K N 1.354 121.757 120.400 0.005 0.000 2.000 353 K HA -0.142 4.177 4.320 -0.002 0.000 0.218 353 K C -0.886 175.720 176.600 0.010 0.000 1.053 353 K CA 1.783 58.076 56.287 0.010 0.000 0.946 353 K CB -0.851 31.655 32.500 0.011 0.000 0.723 353 K HN 0.150 nan 8.250 nan 0.000 0.446 354 P HA -0.123 nan 4.420 nan 0.000 0.218 354 P C 0.997 178.301 177.300 0.006 0.000 1.149 354 P CA 1.802 64.906 63.100 0.007 0.000 0.817 354 P CB -0.014 31.689 31.700 0.005 0.000 0.785 355 A N 0.651 123.474 122.820 0.005 0.000 1.877 355 A HA -0.138 4.181 4.320 -0.002 0.000 0.216 355 A C 2.351 179.939 177.584 0.008 0.000 1.186 355 A CA 1.431 53.471 52.037 0.005 0.000 0.620 355 A CB -1.573 17.428 19.000 0.003 0.000 0.822 355 A HN 0.128 nan 8.150 nan 0.000 0.443 356 I N -0.161 120.414 120.570 0.009 0.000 2.454 356 I HA -0.207 3.962 4.170 -0.002 0.000 0.254 356 I C 2.191 178.317 176.117 0.015 0.000 1.156 356 I CA 0.878 62.186 61.300 0.013 0.000 1.433 356 I CB -0.346 37.663 38.000 0.016 0.000 1.082 356 I HN 0.154 nan 8.210 nan 0.000 0.432 357 V N 0.340 120.261 119.914 0.013 0.000 2.283 357 V HA -0.194 3.925 4.120 -0.002 0.000 0.243 357 V C 2.505 178.604 176.094 0.008 0.000 1.039 357 V CA 1.598 63.905 62.300 0.011 0.000 1.016 357 V CB -0.623 31.206 31.823 0.009 0.000 0.650 357 V HN 0.339 nan 8.190 nan 0.000 0.449 358 E N 0.694 120.898 120.200 0.006 0.000 2.114 358 E HA -0.263 4.085 4.350 -0.002 0.000 0.199 358 E C 2.269 178.873 176.600 0.007 0.000 1.008 358 E CA 1.763 58.166 56.400 0.005 0.000 0.810 358 E CB -0.570 29.133 29.700 0.004 0.000 0.739 358 E HN 0.571 nan 8.360 nan 0.000 0.456 359 A N -0.097 122.729 122.820 0.010 0.000 2.178 359 A HA 0.074 4.393 4.320 -0.002 0.000 0.218 359 A C 1.588 179.181 177.584 0.015 0.000 1.157 359 A CA 1.410 53.455 52.037 0.013 0.000 0.689 359 A CB -0.400 18.610 19.000 0.016 0.000 0.787 359 A HN 0.332 nan 8.150 nan 0.000 0.465 360 G N -2.297 106.511 108.800 0.012 0.000 2.203 360 G HA2 -0.051 3.907 3.960 -0.002 0.000 0.231 360 G HA3 -0.051 3.907 3.960 -0.002 0.000 0.231 360 G C 1.031 175.941 174.900 0.017 0.000 1.058 360 G CA 0.529 45.636 45.100 0.011 0.000 0.781 360 G HN 1.191 nan 8.290 nan 0.000 0.496 361 G N -0.118 108.694 108.800 0.021 0.000 2.418 361 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.217 361 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.217 361 G C 1.939 176.857 174.900 0.029 0.000 1.158 361 G CA 1.660 46.778 45.100 0.030 0.000 0.771 361 G HN 0.437 nan 8.290 nan 0.000 0.545 362 M N 0.443 120.056 119.600 0.021 0.000 2.163 362 M HA -0.186 4.292 4.480 -0.002 0.000 0.258 362 M C 2.712 179.017 176.300 0.008 0.000 1.071 362 M CA 1.726 57.036 55.300 0.017 0.000 1.093 362 M CB -1.454 31.152 32.600 0.010 0.000 1.285 362 M HN 0.223 nan 8.290 nan 0.000 0.420 363 Q N 0.220 120.020 119.800 -0.000 0.000 2.077 363 Q HA -0.106 4.233 4.340 -0.002 0.000 0.206 363 Q C 2.243 178.229 176.000 -0.023 0.000 0.989 363 Q CA 2.295 58.090 55.803 -0.013 0.000 0.853 363 Q CB -0.976 27.755 28.738 -0.012 0.000 0.907 363 Q HN 0.624 nan 8.270 nan 0.000 0.418 364 A N 0.757 123.576 122.820 -0.001 0.000 1.849 364 A HA -0.223 4.096 4.320 -0.002 0.000 0.217 364 A C 2.141 179.731 177.584 0.009 0.000 1.202 364 A CA 1.794 53.838 52.037 0.012 0.000 0.629 364 A CB -1.082 17.951 19.000 0.056 0.000 0.834 364 A HN 0.362 nan 8.150 nan 0.000 0.447 365 L N -0.594 120.665 121.223 0.060 0.000 2.081 365 L HA -0.180 4.158 4.340 -0.002 0.000 0.212 365 L C 2.725 179.613 176.870 0.030 0.000 1.080 365 L CA 1.111 56.013 54.840 0.103 0.000 0.754 365 L CB -0.930 41.178 42.059 0.083 0.000 0.893 365 L HN 0.537 nan 8.230 nan 0.000 0.433 366 G N -0.010 108.779 108.800 -0.018 0.000 2.527 366 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.219 366 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.219 366 G C 1.353 176.187 174.900 -0.110 0.000 1.117 366 G CA 0.224 45.298 45.100 -0.043 0.000 0.759 366 G HN 0.328 nan 8.290 nan 0.000 0.556 367 L N 0.243 121.321 121.223 -0.241 0.000 2.645 367 L HA 0.262 4.601 4.340 -0.002 0.000 0.234 367 L C 0.992 177.453 176.870 -0.681 0.000 1.165 367 L CA 0.011 54.594 54.840 -0.427 0.000 0.944 367 L CB -0.056 41.707 42.059 -0.494 0.000 1.149 367 L HN 0.241 nan 8.230 nan 0.000 0.446 368 H N -1.890 117.186 119.070 0.010 0.000 3.566 368 H HA 0.203 4.758 4.556 -0.002 0.000 0.259 368 H C 1.665 176.989 175.328 -0.007 0.000 1.184 368 H CA -0.128 55.925 56.048 0.009 0.000 1.107 368 H CB 0.484 30.259 29.762 0.022 0.000 1.726 368 H HN 0.214 nan 8.280 nan 0.000 0.743 369 L N 0.555 121.809 121.223 0.051 0.000 2.450 369 L HA -0.042 4.296 4.340 -0.002 0.000 0.224 369 L C 1.144 178.016 176.870 0.004 0.000 1.149 369 L CA 1.325 56.173 54.840 0.015 0.000 0.816 369 L CB -0.178 41.875 42.059 -0.010 0.000 0.932 369 L HN 0.084 nan 8.230 nan 0.000 0.449 370 T N -3.119 111.445 114.554 0.016 0.000 3.044 370 T HA 0.044 4.393 4.350 -0.002 0.000 0.260 370 T C 0.324 175.035 174.700 0.018 0.000 1.019 370 T CA -0.407 61.697 62.100 0.007 0.000 0.921 370 T CB 0.055 68.924 68.868 0.001 0.000 1.053 370 T HN 0.171 nan 8.240 nan 0.000 0.533 371 D N 2.092 122.519 120.400 0.045 0.000 2.449 371 D HA 0.052 4.690 4.640 -0.002 0.000 0.236 371 D C -1.493 174.809 176.300 0.003 0.000 1.149 371 D CA -1.348 52.678 54.000 0.043 0.000 0.878 371 D CB 1.096 41.939 40.800 0.071 0.000 1.198 371 D HN -0.051 nan 8.370 nan 0.000 0.446 372 P HA -0.055 nan 4.420 nan 0.000 0.218 372 P C -0.080 177.191 177.300 -0.048 0.000 1.149 372 P CA 0.610 63.695 63.100 -0.026 0.000 0.817 372 P CB 0.213 31.899 31.700 -0.022 0.000 0.785 373 S N 0.674 116.339 115.700 -0.059 0.000 2.503 373 S HA 0.003 4.472 4.470 -0.002 0.000 0.317 373 S C 1.408 175.953 174.600 -0.092 0.000 1.162 373 S CA -0.404 57.738 58.200 -0.098 0.000 1.124 373 S CB -0.408 62.717 63.200 -0.124 0.000 1.207 373 S HN -0.023 nan 8.310 nan 0.000 0.538 374 Q N 4.435 124.177 119.800 -0.096 0.000 2.112 374 Q HA -0.228 4.111 4.340 -0.002 0.000 0.206 374 Q C 2.242 178.179 176.000 -0.105 0.000 0.987 374 Q CA 2.075 57.822 55.803 -0.094 0.000 0.858 374 Q CB -0.386 28.298 28.738 -0.088 0.000 0.905 374 Q HN 0.940 nan 8.270 nan 0.000 0.420 375 R N 0.143 120.567 120.500 -0.127 0.000 2.096 375 R HA -0.121 4.218 4.340 -0.002 0.000 0.235 375 R C 2.233 178.555 176.300 0.038 0.000 1.127 375 R CA 1.351 57.398 56.100 -0.089 0.000 0.968 375 R CB -0.709 29.426 30.300 -0.276 0.000 0.861 375 R HN 0.177 nan 8.270 nan 0.000 0.440 376 L N 1.382 122.611 121.223 0.009 0.000 2.027 376 L HA -0.069 4.270 4.340 -0.002 0.000 0.206 376 L C 2.226 179.121 176.870 0.041 0.000 1.074 376 L CA 1.402 56.304 54.840 0.103 0.000 0.745 376 L CB -0.316 41.758 42.059 0.025 0.000 0.898 376 L HN 0.065 nan 8.230 nan 0.000 0.433 377 V N -0.343 119.560 119.914 -0.019 0.000 2.287 377 V HA -0.320 3.799 4.120 -0.002 0.000 0.248 377 V C 2.631 178.640 176.094 -0.142 0.000 1.053 377 V CA 1.910 64.181 62.300 -0.048 0.000 1.027 377 V CB -0.857 30.929 31.823 -0.062 0.000 0.646 377 V HN 0.557 nan 8.190 nan 0.000 0.447 378 Q N 0.824 120.481 119.800 -0.238 0.000 2.096 378 Q HA -0.191 4.148 4.340 -0.002 0.000 0.204 378 Q C 1.933 177.546 176.000 -0.644 0.000 0.982 378 Q CA 2.283 57.750 55.803 -0.561 0.000 0.850 378 Q CB -0.595 27.761 28.738 -0.637 0.000 0.901 378 Q HN 0.778 nan 8.270 nan 0.000 0.422 379 N N -1.434 117.161 118.700 -0.175 0.000 2.142 379 N HA -0.134 4.605 4.740 -0.002 0.000 0.186 379 N C 1.739 177.314 175.510 0.108 0.000 1.023 379 N CA 1.139 54.278 53.050 0.147 0.000 0.852 379 N CB -0.140 38.489 38.487 0.236 0.000 0.998 379 N HN 0.289 nan 8.380 nan 0.000 0.424 380 C N 0.986 120.310 119.300 0.039 0.000 2.425 380 C HA -0.032 4.427 4.460 -0.002 0.000 0.277 380 C C 2.644 177.651 174.990 0.029 0.000 1.280 380 C CA 0.337 59.389 59.018 0.057 0.000 1.744 380 C CB -1.172 26.612 27.740 0.072 0.000 1.989 380 C HN 0.421 nan 8.230 nan 0.000 0.491 381 L N -0.637 120.546 121.223 -0.067 0.000 1.994 381 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 381 L C 2.833 179.720 176.870 0.029 0.000 1.071 381 L CA 1.633 56.421 54.840 -0.087 0.000 0.745 381 L CB -0.702 41.214 42.059 -0.239 0.000 0.892 381 L HN 0.468 nan 8.230 nan 0.000 0.431 382 W N 0.642 121.961 121.300 0.033 0.000 2.332 382 W HA -0.175 4.484 4.660 -0.001 0.000 0.321 382 W C 2.756 179.289 176.519 0.024 0.000 1.219 382 W CA 1.675 59.037 57.345 0.028 0.000 1.277 382 W CB -1.607 27.871 29.460 0.029 0.000 1.161 382 W HN 0.181 nan 8.180 nan 0.000 0.476 383 T N 1.640 116.360 114.554 0.277 0.000 2.737 383 T HA -0.212 4.137 4.350 -0.002 0.000 0.269 383 T C 2.069 176.836 174.700 0.113 0.000 1.040 383 T CA 1.663 63.857 62.100 0.157 0.000 1.142 383 T CB -0.653 68.286 68.868 0.118 0.000 0.861 383 T HN 0.039 nan 8.240 nan 0.000 0.456 384 L N 0.322 121.607 121.223 0.102 0.000 1.994 384 L HA -0.069 4.270 4.340 -0.002 0.000 0.208 384 L C 2.854 179.769 176.870 0.075 0.000 1.071 384 L CA 1.469 56.352 54.840 0.071 0.000 0.745 384 L CB -0.494 41.596 42.059 0.051 0.000 0.892 384 L HN 0.134 nan 8.230 nan 0.000 0.431 385 R N 0.306 120.864 120.500 0.097 0.000 2.200 385 R HA -0.150 4.189 4.340 -0.002 0.000 0.234 385 R C 1.647 177.998 176.300 0.084 0.000 1.127 385 R CA 1.270 57.427 56.100 0.094 0.000 0.989 385 R CB -0.090 30.287 30.300 0.128 0.000 0.869 385 R HN 0.435 nan 8.270 nan 0.000 0.459 386 N N -0.105 118.647 118.700 0.088 0.000 2.398 386 N HA -0.016 4.722 4.740 -0.002 0.000 0.188 386 N C 0.935 176.475 175.510 0.049 0.000 1.122 386 N CA 0.656 53.744 53.050 0.064 0.000 0.866 386 N CB 0.489 39.014 38.487 0.064 0.000 0.970 386 N HN 0.332 nan 8.380 nan 0.000 0.462 387 L N -0.438 120.814 121.223 0.049 0.000 2.840 387 L HA 0.106 4.444 4.340 -0.002 0.000 0.249 387 L C 2.103 178.992 176.870 0.033 0.000 1.119 387 L CA 0.124 54.986 54.840 0.037 0.000 0.930 387 L CB -0.020 42.061 42.059 0.035 0.000 1.295 387 L HN -0.008 nan 8.230 nan 0.000 0.534 388 S N 0.317 116.041 115.700 0.039 0.000 2.374 388 S HA -0.239 4.230 4.470 -0.002 0.000 0.227 388 S C 1.433 176.053 174.600 0.034 0.000 1.037 388 S CA 1.583 59.804 58.200 0.036 0.000 1.024 388 S CB -0.657 62.569 63.200 0.043 0.000 0.861 388 S HN 0.623 nan 8.310 nan 0.000 0.456 389 D N 1.277 121.700 120.400 0.038 0.000 2.355 389 D HA 0.280 4.919 4.640 -0.002 0.000 0.253 389 D C 0.999 177.314 176.300 0.025 0.000 1.187 389 D CA 0.676 54.697 54.000 0.036 0.000 0.900 389 D CB 0.068 40.892 40.800 0.040 0.000 0.915 389 D HN 0.605 nan 8.370 nan 0.000 0.516 390 A N -0.235 122.596 122.820 0.020 0.000 1.857 390 A HA 0.485 4.804 4.320 -0.002 0.000 0.198 390 A C 1.803 179.390 177.584 0.006 0.000 1.775 390 A CA 0.362 52.406 52.037 0.012 0.000 1.281 390 A CB -0.109 18.899 19.000 0.013 0.000 1.355 390 A HN 0.234 nan 8.150 nan 0.000 0.417 391 A N 1.329 124.153 122.820 0.008 0.000 2.268 391 A HA 0.282 4.601 4.320 -0.002 0.000 0.221 391 A C 1.601 179.180 177.584 -0.008 0.000 1.287 391 A CA 1.389 53.426 52.037 0.000 0.000 0.902 391 A CB -1.448 17.555 19.000 0.004 0.000 0.877 391 A HN 0.820 nan 8.150 nan 0.000 0.487 392 T N -3.100 111.449 114.554 -0.009 0.000 3.163 392 T HA 0.052 4.401 4.350 -0.002 0.000 0.260 392 T C 0.842 175.519 174.700 -0.039 0.000 1.156 392 T CA 1.023 63.111 62.100 -0.020 0.000 1.072 392 T CB -0.323 68.536 68.868 -0.016 0.000 0.937 392 T HN 0.512 nan 8.240 nan 0.000 0.528 393 K N 0.437 120.816 120.400 -0.033 0.000 2.706 393 K HA 0.241 4.560 4.320 -0.002 0.000 0.203 393 K C -0.100 176.478 176.600 -0.038 0.000 1.102 393 K CA -0.402 55.860 56.287 -0.042 0.000 1.058 393 K CB 0.697 33.179 32.500 -0.031 0.000 0.779 393 K HN 0.216 nan 8.250 nan 0.000 0.483 394 Q N 1.170 120.949 119.800 -0.035 0.000 2.214 394 Q HA 0.283 4.622 4.340 -0.002 0.000 0.251 394 Q C -0.147 175.831 176.000 -0.037 0.000 0.936 394 Q CA -0.025 55.761 55.803 -0.028 0.000 0.894 394 Q CB 1.689 30.416 28.738 -0.018 0.000 1.252 394 Q HN 0.121 nan 8.270 nan 0.000 0.448 395 E N -0.605 119.577 120.200 -0.029 0.000 2.235 395 E HA 0.478 4.826 4.350 -0.002 0.000 0.265 395 E C -0.043 176.544 176.600 -0.022 0.000 0.940 395 E CA -0.579 55.803 56.400 -0.030 0.000 0.819 395 E CB 1.609 31.294 29.700 -0.025 0.000 1.206 395 E HN 0.776 nan 8.360 nan 0.000 0.409 396 G N 2.075 110.863 108.800 -0.021 0.000 2.289 396 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.280 396 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.280 396 G C 0.499 175.388 174.900 -0.018 0.000 1.089 396 G CA 0.175 45.265 45.100 -0.016 0.000 0.939 396 G HN 0.270 nan 8.290 nan 0.000 0.499 397 M N -0.777 118.811 119.600 -0.021 0.000 2.428 397 M HA 0.165 4.644 4.480 -0.002 0.000 0.239 397 M C 1.980 178.269 176.300 -0.018 0.000 1.121 397 M CA 0.559 55.847 55.300 -0.020 0.000 1.019 397 M CB -0.283 32.303 32.600 -0.023 0.000 1.485 397 M HN 0.336 nan 8.290 nan 0.000 0.484 398 E N 1.355 121.546 120.200 -0.017 0.000 2.045 398 E HA -0.189 4.159 4.350 -0.002 0.000 0.212 398 E C 2.114 178.705 176.600 -0.015 0.000 1.039 398 E CA 2.150 58.542 56.400 -0.013 0.000 0.860 398 E CB -1.184 28.510 29.700 -0.010 0.000 0.776 398 E HN 0.549 nan 8.360 nan 0.000 0.467 399 G N 0.709 109.499 108.800 -0.018 0.000 2.529 399 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.219 399 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.219 399 G C 1.524 176.411 174.900 -0.023 0.000 1.177 399 G CA 1.203 46.290 45.100 -0.022 0.000 0.773 399 G HN 0.195 nan 8.290 nan 0.000 0.573 400 L N 0.689 121.898 121.223 -0.022 0.000 1.955 400 L HA -0.010 4.329 4.340 -0.002 0.000 0.213 400 L C 2.894 179.754 176.870 -0.015 0.000 1.072 400 L CA 1.613 56.441 54.840 -0.020 0.000 0.755 400 L CB -0.801 41.248 42.059 -0.016 0.000 0.888 400 L HN 0.268 nan 8.230 nan 0.000 0.432 401 L N -0.627 120.588 121.223 -0.014 0.000 2.021 401 L HA -0.227 4.112 4.340 -0.002 0.000 0.215 401 L C 2.517 179.380 176.870 -0.012 0.000 1.074 401 L CA 1.558 56.391 54.840 -0.012 0.000 0.760 401 L CB -1.601 40.450 42.059 -0.014 0.000 0.889 401 L HN 0.542 nan 8.230 nan 0.000 0.433 402 G N -0.922 107.870 108.800 -0.013 0.000 2.421 402 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.216 402 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.216 402 G C 1.569 176.461 174.900 -0.014 0.000 1.171 402 G CA 1.267 46.360 45.100 -0.012 0.000 0.775 402 G HN 0.307 nan 8.290 nan 0.000 0.543 403 T N 1.539 116.084 114.554 -0.016 0.000 2.746 403 T HA -0.037 4.312 4.350 -0.002 0.000 0.267 403 T C 2.445 177.134 174.700 -0.018 0.000 1.039 403 T CA 0.930 63.019 62.100 -0.018 0.000 1.142 403 T CB -0.231 68.623 68.868 -0.022 0.000 0.866 403 T HN 0.152 nan 8.240 nan 0.000 0.444 404 L N 0.867 122.080 121.223 -0.016 0.000 2.042 404 L HA -0.127 4.212 4.340 -0.002 0.000 0.210 404 L C 2.667 179.528 176.870 -0.016 0.000 1.076 404 L CA 0.998 55.829 54.840 -0.016 0.000 0.749 404 L CB -0.910 41.143 42.059 -0.011 0.000 0.893 404 L HN 0.151 nan 8.230 nan 0.000 0.432 405 V N -0.409 119.496 119.914 -0.015 0.000 2.392 405 V HA -0.333 3.786 4.120 -0.002 0.000 0.249 405 V C 2.492 178.575 176.094 -0.020 0.000 1.059 405 V CA 1.783 64.073 62.300 -0.017 0.000 1.051 405 V CB -0.658 31.156 31.823 -0.015 0.000 0.658 405 V HN 0.523 nan 8.190 nan 0.000 0.455 406 Q N -0.296 119.493 119.800 -0.019 0.000 1.993 406 Q HA -0.182 4.157 4.340 -0.002 0.000 0.202 406 Q C 2.345 178.332 176.000 -0.022 0.000 0.984 406 Q CA 1.712 57.503 55.803 -0.020 0.000 0.837 406 Q CB -0.375 28.352 28.738 -0.018 0.000 0.902 406 Q HN 0.531 nan 8.270 nan 0.000 0.423 407 L N 0.806 122.015 121.223 -0.024 0.000 2.197 407 L HA -0.243 4.095 4.340 -0.002 0.000 0.215 407 L C 2.228 179.083 176.870 -0.026 0.000 1.095 407 L CA 0.856 55.680 54.840 -0.027 0.000 0.764 407 L CB -0.637 41.404 42.059 -0.031 0.000 0.897 407 L HN 0.310 nan 8.230 nan 0.000 0.436 408 L N -0.391 120.818 121.223 -0.023 0.000 2.447 408 L HA -0.129 4.210 4.340 -0.002 0.000 0.225 408 L C 2.049 178.905 176.870 -0.023 0.000 1.148 408 L CA 0.970 55.797 54.840 -0.022 0.000 0.808 408 L CB -0.709 41.336 42.059 -0.022 0.000 0.928 408 L HN 0.338 nan 8.230 nan 0.000 0.448 409 G N -1.550 107.235 108.800 -0.024 0.000 3.277 409 G HA2 0.031 3.990 3.960 -0.002 0.000 0.243 409 G HA3 0.031 3.990 3.960 -0.002 0.000 0.243 409 G C 0.534 175.421 174.900 -0.022 0.000 1.107 409 G CA -0.093 44.993 45.100 -0.023 0.000 0.771 409 G HN 0.172 nan 8.290 nan 0.000 0.544 410 S N -0.296 115.389 115.700 -0.024 0.000 2.608 410 S HA 0.143 4.612 4.470 -0.002 0.000 0.261 410 S C 1.071 175.657 174.600 -0.023 0.000 1.314 410 S CA -0.328 57.857 58.200 -0.025 0.000 0.992 410 S CB 0.881 64.062 63.200 -0.031 0.000 0.935 410 S HN 0.211 nan 8.310 nan 0.000 0.564 411 D N 0.393 120.779 120.400 -0.023 0.000 2.213 411 D HA 0.006 4.645 4.640 -0.002 0.000 0.205 411 D C 0.163 176.451 176.300 -0.020 0.000 0.961 411 D CA 0.510 54.498 54.000 -0.020 0.000 0.853 411 D CB -0.208 40.580 40.800 -0.019 0.000 0.967 411 D HN 0.581 nan 8.370 nan 0.000 0.496 412 D N 1.031 121.416 120.400 -0.025 0.000 2.371 412 D HA 0.015 4.654 4.640 -0.002 0.000 0.256 412 D C 1.629 177.916 176.300 -0.021 0.000 1.193 412 D CA -0.165 53.820 54.000 -0.025 0.000 0.881 412 D CB 1.068 41.844 40.800 -0.040 0.000 1.143 412 D HN 0.013 nan 8.370 nan 0.000 0.473 413 I N 3.689 124.253 120.570 -0.010 0.000 2.151 413 I HA -0.356 3.813 4.170 -0.002 0.000 0.243 413 I C 2.037 178.154 176.117 -0.000 0.000 1.080 413 I CA 1.041 62.340 61.300 -0.002 0.000 1.339 413 I CB -0.326 37.679 38.000 0.008 0.000 1.039 413 I HN 0.504 nan 8.210 nan 0.000 0.409 414 N N 0.464 119.165 118.700 0.001 0.000 2.061 414 N HA -0.179 4.560 4.740 -0.002 0.000 0.193 414 N C 1.895 177.381 175.510 -0.040 0.000 1.030 414 N CA 1.397 54.447 53.050 0.002 0.000 0.856 414 N CB -0.228 38.255 38.487 -0.006 0.000 1.023 414 N HN 0.112 nan 8.380 nan 0.000 0.424 415 V N 1.232 121.107 119.914 -0.065 0.000 2.287 415 V HA -0.213 3.906 4.120 -0.002 0.000 0.248 415 V C 2.356 178.423 176.094 -0.045 0.000 1.053 415 V CA 1.469 63.724 62.300 -0.076 0.000 1.027 415 V CB -0.567 31.214 31.823 -0.070 0.000 0.646 415 V HN 0.165 nan 8.190 nan 0.000 0.447 416 V N -0.261 119.635 119.914 -0.029 0.000 2.295 416 V HA -0.270 3.849 4.120 -0.002 0.000 0.246 416 V C 2.519 178.607 176.094 -0.009 0.000 1.049 416 V CA 2.598 64.886 62.300 -0.019 0.000 1.024 416 V CB -1.168 30.646 31.823 -0.014 0.000 0.648 416 V HN 0.609 nan 8.190 nan 0.000 0.447 417 T N -0.644 113.910 114.554 0.000 0.000 2.569 417 T HA -0.276 4.073 4.350 -0.002 0.000 0.263 417 T C 1.986 176.699 174.700 0.021 0.000 1.074 417 T CA 2.141 64.251 62.100 0.017 0.000 1.176 417 T CB -0.697 68.193 68.868 0.036 0.000 0.863 417 T HN 0.514 nan 8.240 nan 0.000 0.410 418 C N 1.650 120.963 119.300 0.021 0.000 2.391 418 C HA -0.101 4.358 4.460 -0.002 0.000 0.276 418 C C 3.231 178.227 174.990 0.009 0.000 1.217 418 C CA 0.510 59.543 59.018 0.025 0.000 1.766 418 C CB -1.602 26.127 27.740 -0.019 0.000 2.046 418 C HN 0.698 nan 8.230 nan 0.000 0.475 419 A N 0.359 123.173 122.820 -0.010 0.000 1.883 419 A HA -0.019 4.300 4.320 -0.002 0.000 0.217 419 A C 2.374 179.957 177.584 -0.002 0.000 1.186 419 A CA 2.450 54.480 52.037 -0.011 0.000 0.624 419 A CB -1.024 17.964 19.000 -0.020 0.000 0.822 419 A HN 0.621 nan 8.150 nan 0.000 0.444 420 A N -0.555 122.264 122.820 -0.001 0.000 1.858 420 A HA 0.118 4.437 4.320 -0.002 0.000 0.216 420 A C 2.516 180.103 177.584 0.004 0.000 1.190 420 A CA 2.113 54.148 52.037 -0.003 0.000 0.617 420 A CB -1.617 17.381 19.000 -0.003 0.000 0.827 420 A HN 0.842 nan 8.150 nan 0.000 0.443 421 G N 0.202 109.013 108.800 0.018 0.000 2.529 421 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.219 421 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.219 421 G C 1.538 176.458 174.900 0.033 0.000 1.177 421 G CA 1.333 46.451 45.100 0.031 0.000 0.773 421 G HN 0.497 nan 8.290 nan 0.000 0.573 422 I N 0.428 121.018 120.570 0.033 0.000 2.118 422 I HA -0.204 3.965 4.170 -0.002 0.000 0.241 422 I C 2.834 178.967 176.117 0.028 0.000 1.070 422 I CA 0.891 62.211 61.300 0.033 0.000 1.327 422 I CB -0.398 37.616 38.000 0.025 0.000 1.034 422 I HN 0.151 nan 8.210 nan 0.000 0.405 423 L N 0.005 121.238 121.223 0.017 0.000 1.990 423 L HA -0.281 4.058 4.340 -0.002 0.000 0.213 423 L C 2.824 179.710 176.870 0.027 0.000 1.072 423 L CA 1.774 56.622 54.840 0.015 0.000 0.755 423 L CB -0.750 41.310 42.059 0.001 0.000 0.889 423 L HN 0.297 nan 8.230 nan 0.000 0.432 424 S N 0.109 115.814 115.700 0.008 0.000 2.372 424 S HA -0.231 4.238 4.470 -0.002 0.000 0.227 424 S C 1.829 176.489 174.600 0.100 0.000 1.044 424 S CA 1.980 60.173 58.200 -0.011 0.000 1.050 424 S CB -0.283 62.892 63.200 -0.041 0.000 0.901 424 S HN 0.450 nan 8.310 nan 0.000 0.447 425 N N 1.249 120.001 118.700 0.087 0.000 2.080 425 N HA 0.014 4.753 4.740 -0.002 0.000 0.189 425 N C 1.852 177.415 175.510 0.089 0.000 1.036 425 N CA 1.349 54.459 53.050 0.100 0.000 0.846 425 N CB -0.666 37.862 38.487 0.068 0.000 1.015 425 N HN 0.414 nan 8.380 nan 0.000 0.423 426 L N 1.125 122.385 121.223 0.061 0.000 2.353 426 L HA -0.073 4.266 4.340 -0.002 0.000 0.220 426 L C 1.784 178.680 176.870 0.044 0.000 1.133 426 L CA 1.079 55.941 54.840 0.037 0.000 0.798 426 L CB -0.630 41.440 42.059 0.019 0.000 0.922 426 L HN 0.316 nan 8.230 nan 0.000 0.445 427 T N -5.167 109.447 114.554 0.101 0.000 3.105 427 T HA 0.040 4.389 4.350 -0.002 0.000 0.253 427 T C 0.597 175.410 174.700 0.187 0.000 1.047 427 T CA -0.389 61.789 62.100 0.129 0.000 0.944 427 T CB -0.513 68.442 68.868 0.146 0.000 1.016 427 T HN 0.206 nan 8.240 nan 0.000 0.544 428 C N 3.533 122.915 119.300 0.136 0.000 2.289 428 C HA 0.552 5.010 4.460 -0.002 0.000 0.340 428 C C 0.759 175.665 174.990 -0.140 0.000 1.152 428 C CA -0.610 58.314 59.018 -0.157 0.000 1.650 428 C CB -2.397 25.324 27.740 -0.032 0.000 2.203 428 C HN 0.880 nan 8.230 nan 0.000 0.511 429 N N 3.916 122.516 118.700 -0.167 0.000 2.573 429 N HA -0.201 4.537 4.740 -0.002 0.000 0.275 429 N C -0.974 174.504 175.510 -0.054 0.000 1.208 429 N CA 1.050 54.054 53.050 -0.078 0.000 0.688 429 N CB -0.915 37.530 38.487 -0.070 0.000 0.882 429 N HN 0.905 nan 8.380 nan 0.000 0.548 430 N N 1.931 120.604 118.700 -0.044 0.000 3.560 430 N HA -0.031 4.708 4.740 -0.002 0.000 0.183 430 N C 0.534 175.978 175.510 -0.111 0.000 1.495 430 N CA -0.139 52.839 53.050 -0.120 0.000 0.793 430 N CB -0.438 37.982 38.487 -0.112 0.000 1.681 430 N HN 0.326 nan 8.380 nan 0.000 0.667 431 Y N 2.021 122.313 120.300 -0.013 0.000 2.193 431 Y HA -0.016 4.532 4.550 -0.002 0.000 0.285 431 Y C 1.667 177.526 175.900 -0.068 0.000 1.166 431 Y CA 1.362 59.444 58.100 -0.030 0.000 1.181 431 Y CB -0.347 38.147 38.460 0.057 0.000 0.976 431 Y HN 0.216 nan 8.280 nan 0.000 0.520 432 K N 0.294 120.501 120.400 -0.321 0.000 2.152 432 K HA -0.173 4.146 4.320 -0.002 0.000 0.206 432 K C 1.520 178.077 176.600 -0.072 0.000 1.048 432 K CA 1.779 57.985 56.287 -0.135 0.000 0.933 432 K CB -0.249 32.087 32.500 -0.274 0.000 0.721 432 K HN 0.406 nan 8.250 nan 0.000 0.447 433 N N 0.537 119.175 118.700 -0.104 0.000 2.251 433 N HA -0.045 4.694 4.740 -0.002 0.000 0.181 433 N C 1.305 176.767 175.510 -0.080 0.000 1.019 433 N CA 0.893 53.901 53.050 -0.071 0.000 0.862 433 N CB 0.110 38.562 38.487 -0.059 0.000 0.992 433 N HN 0.091 nan 8.380 nan 0.000 0.429 434 K N 0.461 120.783 120.400 -0.130 0.000 2.009 434 K HA -0.067 4.252 4.320 -0.002 0.000 0.210 434 K C 1.930 178.344 176.600 -0.309 0.000 1.049 434 K CA 1.319 57.453 56.287 -0.257 0.000 0.929 434 K CB -0.197 32.014 32.500 -0.482 0.000 0.714 434 K HN 0.185 nan 8.250 nan 0.000 0.440 435 M N 0.062 119.497 119.600 -0.276 0.000 2.080 435 M HA -0.187 4.291 4.480 -0.002 0.000 0.260 435 M C 2.416 178.700 176.300 -0.027 0.000 1.068 435 M CA 1.355 56.596 55.300 -0.099 0.000 1.109 435 M CB -0.275 32.347 32.600 0.037 0.000 1.342 435 M HN 0.161 nan 8.290 nan 0.000 0.405 436 M N 0.217 119.802 119.600 -0.024 0.000 2.080 436 M HA -0.156 4.323 4.480 -0.002 0.000 0.260 436 M C 2.235 178.530 176.300 -0.009 0.000 1.068 436 M CA 1.600 56.895 55.300 -0.008 0.000 1.109 436 M CB -0.881 31.712 32.600 -0.012 0.000 1.342 436 M HN 0.135 nan 8.290 nan 0.000 0.405 437 V N -0.665 119.236 119.914 -0.021 0.000 2.469 437 V HA -0.322 3.797 4.120 -0.002 0.000 0.251 437 V C 2.465 178.562 176.094 0.005 0.000 1.064 437 V CA 1.576 63.870 62.300 -0.010 0.000 1.066 437 V CB -1.045 30.770 31.823 -0.013 0.000 0.667 437 V HN 0.519 nan 8.190 nan 0.000 0.461 438 C N -0.701 118.605 119.300 0.010 0.000 2.464 438 C HA -0.029 4.429 4.460 -0.002 0.000 0.278 438 C C 2.339 177.355 174.990 0.044 0.000 1.375 438 C CA 0.141 59.186 59.018 0.045 0.000 1.761 438 C CB -0.852 26.938 27.740 0.084 0.000 1.944 438 C HN 0.533 nan 8.230 nan 0.000 0.509 439 Q N 0.758 120.577 119.800 0.031 0.000 2.322 439 Q HA 0.089 4.427 4.340 -0.002 0.000 0.203 439 Q C 1.413 177.425 176.000 0.021 0.000 0.923 439 Q CA 0.574 56.395 55.803 0.030 0.000 0.949 439 Q CB 0.047 28.801 28.738 0.027 0.000 1.039 439 Q HN 0.754 nan 8.270 nan 0.000 0.496 440 V N -5.920 114.003 119.914 0.016 0.000 3.276 440 V HA 0.555 4.674 4.120 -0.002 0.000 0.319 440 V C 0.882 176.978 176.094 0.003 0.000 1.476 440 V CA 0.210 62.514 62.300 0.007 0.000 1.097 440 V CB 0.400 32.223 31.823 0.000 0.000 0.988 440 V HN 0.172 nan 8.190 nan 0.000 0.473 441 G N 0.334 109.140 108.800 0.010 0.000 2.137 441 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.237 441 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.237 441 G C 1.043 175.930 174.900 -0.022 0.000 1.002 441 G CA 0.304 45.400 45.100 -0.007 0.000 0.702 441 G HN 1.305 nan 8.290 nan 0.000 0.515 442 G N 0.457 109.256 108.800 -0.003 0.000 2.513 442 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.219 442 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.219 442 G C 1.743 176.640 174.900 -0.006 0.000 1.160 442 G CA 1.532 46.629 45.100 -0.004 0.000 0.767 442 G HN 0.491 nan 8.290 nan 0.000 0.571 443 I N 1.087 121.667 120.570 0.015 0.000 2.058 443 I HA -0.164 4.004 4.170 -0.002 0.000 0.235 443 I C 2.541 178.638 176.117 -0.034 0.000 1.053 443 I CA 1.740 63.058 61.300 0.031 0.000 1.313 443 I CB -1.454 36.606 38.000 0.099 0.000 1.039 443 I HN 0.409 nan 8.210 nan 0.000 0.396 444 E N 0.967 121.073 120.200 -0.156 0.000 2.086 444 E HA -0.282 4.067 4.350 -0.002 0.000 0.200 444 E C 2.212 178.692 176.600 -0.201 0.000 1.012 444 E CA 2.000 58.141 56.400 -0.432 0.000 0.812 444 E CB -0.030 29.228 29.700 -0.738 0.000 0.743 444 E HN 0.457 nan 8.360 nan 0.000 0.453 445 A N 0.981 123.727 122.820 -0.123 0.000 1.865 445 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 445 A C 2.281 179.837 177.584 -0.048 0.000 1.191 445 A CA 1.693 53.687 52.037 -0.072 0.000 0.623 445 A CB -0.846 18.124 19.000 -0.049 0.000 0.826 445 A HN 0.348 nan 8.150 nan 0.000 0.444 446 L N -0.472 120.730 121.223 -0.034 0.000 2.017 446 L HA -0.173 4.165 4.340 -0.002 0.000 0.208 446 L C 2.546 179.411 176.870 -0.010 0.000 1.073 446 L CA 1.206 56.035 54.840 -0.018 0.000 0.745 446 L CB -0.703 41.350 42.059 -0.009 0.000 0.894 446 L HN 0.256 nan 8.230 nan 0.000 0.432 447 V N -0.073 119.838 119.914 -0.005 0.000 2.324 447 V HA -0.326 3.793 4.120 -0.002 0.000 0.250 447 V C 2.606 178.708 176.094 0.013 0.000 1.060 447 V CA 1.864 64.176 62.300 0.020 0.000 1.042 447 V CB -0.717 31.137 31.823 0.051 0.000 0.650 447 V HN 0.430 nan 8.190 nan 0.000 0.450 448 R N -0.522 119.971 120.500 -0.012 0.000 2.115 448 R HA -0.093 4.245 4.340 -0.002 0.000 0.226 448 R C 2.382 178.676 176.300 -0.010 0.000 1.100 448 R CA 1.648 57.741 56.100 -0.012 0.000 0.980 448 R CB -0.543 29.739 30.300 -0.030 0.000 0.875 448 R HN 0.533 nan 8.270 nan 0.000 0.445 449 T N 0.586 115.133 114.554 -0.013 0.000 2.788 449 T HA -0.083 4.266 4.350 -0.002 0.000 0.268 449 T C 1.959 176.656 174.700 -0.006 0.000 1.044 449 T CA 1.177 63.271 62.100 -0.011 0.000 1.139 449 T CB -0.068 68.792 68.868 -0.013 0.000 0.867 449 T HN -0.001 nan 8.240 nan 0.000 0.454 450 V N 1.220 121.133 119.914 -0.001 0.000 2.379 450 V HA -0.001 4.118 4.120 -0.002 0.000 0.245 450 V C 2.236 178.333 176.094 0.006 0.000 1.044 450 V CA 0.968 63.270 62.300 0.003 0.000 1.036 450 V CB -0.522 31.306 31.823 0.009 0.000 0.664 450 V HN 0.318 nan 8.190 nan 0.000 0.453 451 L N -0.035 121.195 121.223 0.011 0.000 2.551 451 L HA 0.007 4.345 4.340 -0.002 0.000 0.228 451 L C 2.165 179.036 176.870 0.002 0.000 1.153 451 L CA 1.629 56.476 54.840 0.012 0.000 0.851 451 L CB -0.631 41.441 42.059 0.021 0.000 0.959 451 L HN 0.197 nan 8.230 nan 0.000 0.451 452 R N -1.683 118.816 120.500 -0.002 0.000 2.164 452 R HA 0.176 4.515 4.340 -0.002 0.000 0.198 452 R C 2.196 178.492 176.300 -0.007 0.000 1.028 452 R CA 0.826 56.922 56.100 -0.007 0.000 1.083 452 R CB -0.160 30.135 30.300 -0.009 0.000 1.026 452 R HN 0.296 nan 8.270 nan 0.000 0.514 453 A N 0.764 123.580 122.820 -0.007 0.000 1.892 453 A HA 0.045 4.364 4.320 -0.002 0.000 0.218 453 A C 1.498 179.076 177.584 -0.011 0.000 1.188 453 A CA 2.144 54.176 52.037 -0.008 0.000 0.631 453 A CB -1.077 17.917 19.000 -0.009 0.000 0.822 453 A HN 0.681 nan 8.150 nan 0.000 0.447 454 G N -0.373 108.420 108.800 -0.010 0.000 2.596 454 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.258 454 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.258 454 G C 0.669 175.556 174.900 -0.022 0.000 1.207 454 G CA 1.091 46.184 45.100 -0.012 0.000 0.954 454 G HN 0.949 nan 8.290 nan 0.000 0.551 455 D N 1.251 121.634 120.400 -0.029 0.000 2.271 455 D HA -0.012 4.627 4.640 -0.002 0.000 0.206 455 D C 1.431 177.693 176.300 -0.063 0.000 0.967 455 D CA 0.364 54.334 54.000 -0.049 0.000 0.867 455 D CB -0.259 40.513 40.800 -0.047 0.000 0.960 455 D HN 0.584 nan 8.370 nan 0.000 0.509 456 R N 1.699 122.174 120.500 -0.041 0.000 3.147 456 R HA 0.005 4.344 4.340 -0.002 0.000 0.230 456 R C 0.676 176.952 176.300 -0.039 0.000 1.549 456 R CA 0.091 56.170 56.100 -0.035 0.000 1.025 456 R CB -0.420 29.870 30.300 -0.016 0.000 1.180 456 R HN 0.363 nan 8.270 nan 0.000 0.575 457 E N 0.935 121.095 120.200 -0.067 0.000 2.455 457 E HA -0.193 4.156 4.350 -0.002 0.000 0.202 457 E C 0.465 177.052 176.600 -0.021 0.000 1.045 457 E CA 0.642 57.007 56.400 -0.059 0.000 0.872 457 E CB 0.126 29.760 29.700 -0.110 0.000 0.792 457 E HN 0.518 nan 8.360 nan 0.000 0.542 458 D N 0.049 120.443 120.400 -0.010 0.000 2.348 458 D HA -0.066 4.573 4.640 -0.002 0.000 0.216 458 D C 1.615 177.924 176.300 0.014 0.000 0.970 458 D CA 0.858 54.865 54.000 0.012 0.000 0.889 458 D CB 0.273 41.085 40.800 0.020 0.000 0.912 458 D HN 0.359 nan 8.370 nan 0.000 0.524 459 I N 0.046 120.618 120.570 0.003 0.000 4.124 459 I HA -0.103 4.066 4.170 -0.002 0.000 0.311 459 I C 2.444 178.559 176.117 -0.003 0.000 1.259 459 I CA 0.444 61.745 61.300 0.003 0.000 1.315 459 I CB 0.100 38.100 38.000 -0.000 0.000 1.223 459 I HN -0.095 nan 8.210 nan 0.000 0.441 460 T N -1.084 113.465 114.554 -0.008 0.000 2.737 460 T HA -0.184 4.165 4.350 -0.002 0.000 0.265 460 T C 1.672 176.368 174.700 -0.007 0.000 1.038 460 T CA 1.478 63.573 62.100 -0.010 0.000 1.144 460 T CB -0.357 68.501 68.868 -0.015 0.000 0.866 460 T HN 0.355 nan 8.240 nan 0.000 0.434 461 E N 2.331 122.531 120.200 -0.001 0.000 2.033 461 E HA -0.148 4.201 4.350 -0.002 0.000 0.199 461 E C -0.215 176.383 176.600 -0.004 0.000 1.011 461 E CA 1.770 58.175 56.400 0.008 0.000 0.815 461 E CB -0.750 28.965 29.700 0.025 0.000 0.755 461 E HN 0.472 nan 8.360 nan 0.000 0.451 462 P HA -0.137 nan 4.420 nan 0.000 0.217 462 P C 1.188 178.463 177.300 -0.042 0.000 1.150 462 P CA 1.919 65.008 63.100 -0.018 0.000 0.832 462 P CB -0.073 31.628 31.700 0.002 0.000 0.787 463 A N 0.614 123.418 122.820 -0.027 0.000 1.877 463 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 463 A C 2.342 179.902 177.584 -0.041 0.000 1.186 463 A CA 1.607 53.626 52.037 -0.029 0.000 0.620 463 A CB -1.433 17.558 19.000 -0.015 0.000 0.822 463 A HN 0.030 nan 8.150 nan 0.000 0.443 464 I N -0.053 120.498 120.570 -0.032 0.000 2.179 464 I HA -0.265 3.904 4.170 -0.002 0.000 0.242 464 I C 2.691 178.767 176.117 -0.068 0.000 1.088 464 I CA 1.058 62.341 61.300 -0.028 0.000 1.357 464 I CB -1.749 36.246 38.000 -0.008 0.000 1.051 464 I HN 0.378 nan 8.210 nan 0.000 0.409 465 C N 0.928 120.162 119.300 -0.111 0.000 2.413 465 C HA -0.180 4.279 4.460 -0.002 0.000 0.276 465 C C 3.171 177.865 174.990 -0.494 0.000 1.248 465 C CA 0.981 59.846 59.018 -0.255 0.000 1.742 465 C CB -1.272 26.325 27.740 -0.238 0.000 2.017 465 C HN 0.617 nan 8.230 nan 0.000 0.481 466 A N 0.423 123.053 122.820 -0.318 0.000 1.865 466 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 466 A C 2.103 179.629 177.584 -0.097 0.000 1.191 466 A CA 1.800 53.701 52.037 -0.226 0.000 0.623 466 A CB -0.770 18.174 19.000 -0.093 0.000 0.826 466 A HN 0.613 nan 8.150 nan 0.000 0.444 467 L N -1.099 120.095 121.223 -0.048 0.000 2.043 467 L HA -0.248 4.091 4.340 -0.002 0.000 0.212 467 L C 2.828 179.730 176.870 0.054 0.000 1.075 467 L CA 1.975 56.826 54.840 0.019 0.000 0.752 467 L CB -0.528 41.543 42.059 0.020 0.000 0.891 467 L HN 0.515 nan 8.230 nan 0.000 0.432 468 R N -0.384 120.133 120.500 0.029 0.000 2.083 468 R HA -0.189 4.150 4.340 -0.002 0.000 0.237 468 R C 2.271 178.708 176.300 0.228 0.000 1.137 468 R CA 1.855 58.020 56.100 0.109 0.000 0.951 468 R CB -0.348 30.020 30.300 0.113 0.000 0.851 468 R HN 0.512 nan 8.270 nan 0.000 0.434 469 H N -0.270 118.844 119.070 0.074 0.000 2.423 469 H HA -0.057 4.497 4.556 -0.002 0.000 0.297 469 H C 1.710 177.116 175.328 0.129 0.000 1.075 469 H CA 0.977 57.077 56.048 0.086 0.000 1.342 469 H CB 0.078 29.876 29.762 0.059 0.000 1.395 469 H HN 0.218 nan 8.280 nan 0.000 0.530 470 L N 1.213 122.580 121.223 0.240 0.000 2.627 470 L HA 0.006 4.345 4.340 -0.002 0.000 0.233 470 L C 0.929 177.985 176.870 0.310 0.000 1.144 470 L CA 0.493 55.479 54.840 0.245 0.000 0.892 470 L CB 0.057 42.201 42.059 0.141 0.000 1.039 470 L HN 0.313 nan 8.230 nan 0.000 0.442 471 T N -4.099 110.585 114.554 0.217 0.000 3.380 471 T HA 0.319 4.667 4.350 -0.002 0.000 0.289 471 T C 0.114 174.851 174.700 0.062 0.000 1.012 471 T CA -0.192 61.977 62.100 0.115 0.000 0.944 471 T CB 0.127 69.045 68.868 0.083 0.000 1.172 471 T HN 0.164 nan 8.240 nan 0.000 0.502 472 S N 0.585 116.342 115.700 0.095 0.000 2.580 472 S HA 0.574 5.043 4.470 -0.002 0.000 0.281 472 S C -0.664 174.001 174.600 0.108 0.000 1.129 472 S CA -1.253 56.978 58.200 0.052 0.000 0.862 472 S CB 1.174 64.419 63.200 0.075 0.000 1.090 472 S HN 0.429 nan 8.310 nan 0.000 0.451 473 R N 0.862 121.386 120.500 0.041 0.000 3.201 473 R HA -0.186 4.153 4.340 -0.002 0.000 0.254 473 R C -0.764 175.653 176.300 0.195 0.000 0.978 473 R CA 1.513 57.666 56.100 0.087 0.000 0.661 473 R CB -2.828 27.537 30.300 0.109 0.000 1.170 473 R HN 1.403 nan 8.270 nan 0.000 0.430 474 H N -3.988 115.097 119.070 0.026 0.000 2.987 474 H HA 0.088 4.642 4.556 -0.002 0.000 0.285 474 H C 0.540 175.857 175.328 -0.017 0.000 1.176 474 H CA -0.351 55.703 56.048 0.010 0.000 1.596 474 H CB 0.267 30.092 29.762 0.105 0.000 2.044 474 H HN 0.013 nan 8.280 nan 0.000 0.500 475 Q N 1.401 121.209 119.800 0.014 0.000 1.992 475 Q HA -0.244 4.095 4.340 -0.002 0.000 0.216 475 Q C 0.415 176.386 176.000 -0.048 0.000 1.047 475 Q CA 2.304 58.092 55.803 -0.024 0.000 0.899 475 Q CB -0.322 28.421 28.738 0.007 0.000 1.021 475 Q HN 0.742 nan 8.270 nan 0.000 0.421 476 D N -0.082 120.390 120.400 0.120 0.000 2.368 476 D HA 0.030 4.669 4.640 -0.002 0.000 0.250 476 D C 1.210 177.479 176.300 -0.052 0.000 1.142 476 D CA 0.600 54.661 54.000 0.101 0.000 0.925 476 D CB -0.034 40.900 40.800 0.224 0.000 0.896 476 D HN 0.319 nan 8.370 nan 0.000 0.525 477 A N 1.141 123.613 122.820 -0.580 0.000 1.851 477 A HA -0.244 4.074 4.320 -0.002 0.000 0.216 477 A C 2.146 179.617 177.584 -0.188 0.000 1.195 477 A CA 1.504 53.166 52.037 -0.624 0.000 0.622 477 A CB -0.524 18.106 19.000 -0.618 0.000 0.831 477 A HN 0.279 nan 8.150 nan 0.000 0.444 478 E N -0.704 119.408 120.200 -0.147 0.000 2.147 478 E HA -0.279 4.070 4.350 -0.002 0.000 0.199 478 E C 1.966 178.539 176.600 -0.046 0.000 1.005 478 E CA 1.593 57.944 56.400 -0.081 0.000 0.810 478 E CB -0.226 29.430 29.700 -0.073 0.000 0.736 478 E HN 0.667 nan 8.360 nan 0.000 0.460 479 M N 0.498 120.082 119.600 -0.027 0.000 2.180 479 M HA -0.246 4.232 4.480 -0.002 0.000 0.260 479 M C 2.365 178.678 176.300 0.022 0.000 1.071 479 M CA 2.265 57.569 55.300 0.006 0.000 1.096 479 M CB -0.408 32.215 32.600 0.038 0.000 1.276 479 M HN 0.216 nan 8.290 nan 0.000 0.426 480 A N 0.134 122.989 122.820 0.057 0.000 1.927 480 A HA -0.296 4.023 4.320 -0.002 0.000 0.220 480 A C 1.849 179.461 177.584 0.047 0.000 1.185 480 A CA 2.296 54.381 52.037 0.079 0.000 0.639 480 A CB -1.124 17.953 19.000 0.127 0.000 0.820 480 A HN 0.815 nan 8.150 nan 0.000 0.451 481 Q N -0.577 119.234 119.800 0.019 0.000 2.133 481 Q HA -0.219 4.120 4.340 -0.002 0.000 0.208 481 Q C 1.849 177.841 176.000 -0.013 0.000 0.991 481 Q CA 1.645 57.449 55.803 0.002 0.000 0.867 481 Q CB -0.300 28.425 28.738 -0.022 0.000 0.911 481 Q HN 0.699 nan 8.270 nan 0.000 0.417 482 N N -0.006 118.677 118.700 -0.028 0.000 2.250 482 N HA -0.054 4.685 4.740 -0.002 0.000 0.181 482 N C 1.695 177.167 175.510 -0.062 0.000 1.017 482 N CA 1.023 54.041 53.050 -0.054 0.000 0.866 482 N CB -0.148 38.302 38.487 -0.061 0.000 0.985 482 N HN 0.214 nan 8.380 nan 0.000 0.429 483 A N 1.263 124.070 122.820 -0.022 0.000 1.865 483 A HA -0.120 4.198 4.320 -0.002 0.000 0.217 483 A C 2.417 180.031 177.584 0.051 0.000 1.191 483 A CA 1.498 53.537 52.037 0.003 0.000 0.623 483 A CB -0.968 18.105 19.000 0.122 0.000 0.826 483 A HN 0.094 nan 8.150 nan 0.000 0.444 484 V N 0.010 119.968 119.914 0.074 0.000 2.660 484 V HA -0.283 3.836 4.120 -0.002 0.000 0.257 484 V C 2.569 178.684 176.094 0.035 0.000 1.088 484 V CA 2.439 64.788 62.300 0.081 0.000 1.106 484 V CB -0.981 30.876 31.823 0.057 0.000 0.686 484 V HN 0.696 nan 8.190 nan 0.000 0.481 485 R N -0.258 120.220 120.500 -0.036 0.000 2.105 485 R HA 0.099 4.438 4.340 -0.002 0.000 0.214 485 R C 2.189 178.357 176.300 -0.221 0.000 1.091 485 R CA 0.630 56.670 56.100 -0.099 0.000 1.007 485 R CB -0.115 30.126 30.300 -0.099 0.000 0.912 485 R HN 0.425 nan 8.270 nan 0.000 0.450 486 L N 0.555 121.615 121.223 -0.271 0.000 2.353 486 L HA -0.124 4.215 4.340 -0.002 0.000 0.220 486 L C 1.178 177.777 176.870 -0.451 0.000 1.133 486 L CA 0.775 55.367 54.840 -0.414 0.000 0.798 486 L CB -0.300 41.501 42.059 -0.429 0.000 0.922 486 L HN 0.337 nan 8.230 nan 0.000 0.445 487 H N -1.392 117.655 119.070 -0.038 0.000 2.505 487 H HA 0.122 4.677 4.556 -0.002 0.000 0.289 487 H C -0.435 175.080 175.328 0.311 0.000 1.052 487 H CA -0.511 55.630 56.048 0.155 0.000 1.156 487 H CB -0.051 29.774 29.762 0.105 0.000 1.507 487 H HN 0.185 nan 8.280 nan 0.000 0.548 488 Y N -0.047 120.297 120.300 0.072 0.000 3.057 488 Y HA -0.225 4.324 4.550 -0.002 0.000 0.192 488 Y C 1.561 177.496 175.900 0.057 0.000 1.448 488 Y CA 0.538 58.668 58.100 0.051 0.000 1.065 488 Y CB -1.665 36.823 38.460 0.045 0.000 1.369 488 Y HN 0.380 nan 8.280 nan 0.000 0.460 489 G N -0.667 108.216 108.800 0.138 0.000 2.724 489 G HA2 0.078 4.036 3.960 -0.002 0.000 0.205 489 G HA3 0.078 4.036 3.960 -0.002 0.000 0.205 489 G C 1.380 176.325 174.900 0.074 0.000 1.112 489 G CA 0.388 45.553 45.100 0.108 0.000 0.793 489 G HN 0.415 nan 8.290 nan 0.000 0.526 490 L N 1.048 122.302 121.223 0.052 0.000 1.997 490 L HA -0.128 4.211 4.340 -0.002 0.000 0.216 490 L C 0.061 176.962 176.870 0.052 0.000 1.074 490 L CA 1.758 56.623 54.840 0.040 0.000 0.763 490 L CB -1.509 40.563 42.059 0.022 0.000 0.890 490 L HN 0.156 nan 8.230 nan 0.000 0.434 491 P HA -0.200 nan 4.420 nan 0.000 0.215 491 P C 1.934 179.273 177.300 0.065 0.000 1.157 491 P CA 1.388 64.531 63.100 0.071 0.000 0.874 491 P CB 0.026 31.780 31.700 0.089 0.000 0.790 492 V N -0.947 119.005 119.914 0.064 0.000 2.719 492 V HA -0.120 3.999 4.120 -0.002 0.000 0.252 492 V C 1.997 178.113 176.094 0.038 0.000 1.065 492 V CA 1.379 63.710 62.300 0.051 0.000 1.086 492 V CB -0.678 31.175 31.823 0.050 0.000 0.700 492 V HN -0.114 nan 8.190 nan 0.000 0.467 493 V N -0.133 119.804 119.914 0.038 0.000 2.283 493 V HA -0.155 3.963 4.120 -0.002 0.000 0.243 493 V C 2.471 178.571 176.094 0.009 0.000 1.039 493 V CA 2.125 64.439 62.300 0.025 0.000 1.016 493 V CB -0.411 31.430 31.823 0.029 0.000 0.650 493 V HN 0.426 nan 8.190 nan 0.000 0.449 494 V N 0.398 120.321 119.914 0.015 0.000 2.594 494 V HA -0.263 3.855 4.120 -0.002 0.000 0.253 494 V C 2.395 178.469 176.094 -0.032 0.000 1.069 494 V CA 2.124 64.419 62.300 -0.008 0.000 1.082 494 V CB -0.837 31.003 31.823 0.027 0.000 0.680 494 V HN 0.601 nan 8.190 nan 0.000 0.469 495 K N 0.537 120.956 120.400 0.032 0.000 2.063 495 K HA -0.162 4.157 4.320 -0.002 0.000 0.208 495 K C 2.029 178.644 176.600 0.024 0.000 1.048 495 K CA 1.595 57.931 56.287 0.082 0.000 0.928 495 K CB -0.262 32.283 32.500 0.074 0.000 0.713 495 K HN 0.432 nan 8.250 nan 0.000 0.442 496 L N 1.350 122.565 121.223 -0.013 0.000 2.447 496 L HA -0.148 4.191 4.340 -0.002 0.000 0.225 496 L C 2.097 178.920 176.870 -0.079 0.000 1.148 496 L CA 0.481 55.303 54.840 -0.029 0.000 0.808 496 L CB -0.319 41.730 42.059 -0.018 0.000 0.928 496 L HN 0.264 nan 8.230 nan 0.000 0.448 497 L N -1.350 119.765 121.223 -0.180 0.000 2.275 497 L HA -0.085 4.253 4.340 -0.002 0.000 0.215 497 L C 1.006 177.678 176.870 -0.329 0.000 1.119 497 L CA 0.427 55.102 54.840 -0.275 0.000 0.790 497 L CB -0.511 41.312 42.059 -0.393 0.000 0.919 497 L HN 0.345 nan 8.230 nan 0.000 0.443 498 H N -1.059 118.004 119.070 -0.012 0.000 2.544 498 H HA 0.343 4.898 4.556 -0.002 0.000 0.342 498 H C -2.042 173.258 175.328 -0.047 0.000 1.185 498 H CA -2.622 53.410 56.048 -0.028 0.000 1.264 498 H CB 0.339 30.092 29.762 -0.014 0.000 1.607 498 H HN -0.228 nan 8.280 nan 0.000 0.550 499 P HA -0.043 nan 4.420 nan 0.000 0.270 499 P C -1.427 175.884 177.300 0.019 0.000 1.221 499 P CA -0.648 62.459 63.100 0.011 0.000 0.788 499 P CB 0.213 31.912 31.700 -0.001 0.000 0.904 500 P HA -0.000 nan 4.420 nan 0.000 0.245 500 P C -0.405 176.896 177.300 0.001 0.000 1.212 500 P CA 0.389 63.492 63.100 0.005 0.000 0.774 500 P CB 0.045 31.745 31.700 0.000 0.000 0.999 501 S N 0.729 116.399 115.700 -0.050 0.000 2.817 501 S HA -0.095 4.374 4.470 -0.002 0.000 0.333 501 S C 0.395 174.992 174.600 -0.005 0.000 1.227 501 S CA 0.438 58.592 58.200 -0.077 0.000 1.027 501 S CB -0.446 62.719 63.200 -0.059 0.000 0.732 501 S HN 0.388 nan 8.310 nan 0.000 0.499 502 H N 0.308 119.309 119.070 -0.115 0.000 2.496 502 H HA 0.127 4.682 4.556 -0.002 0.000 0.342 502 H C 0.515 175.801 175.328 -0.069 0.000 1.170 502 H CA -1.156 54.800 56.048 -0.153 0.000 1.274 502 H CB 0.603 30.339 29.762 -0.044 0.000 1.538 502 H HN 0.744 nan 8.280 nan 0.000 0.542 503 W N 1.348 122.734 121.300 0.142 0.000 2.290 503 W HA -0.201 4.458 4.660 -0.002 0.000 0.323 503 W C -0.442 176.122 176.519 0.076 0.000 1.260 503 W CA 0.854 58.246 57.345 0.079 0.000 1.266 503 W CB -1.318 28.171 29.460 0.048 0.000 1.149 503 W HN 0.632 nan 8.180 nan 0.000 0.482 504 P HA -0.232 nan 4.420 nan 0.000 0.215 504 P C 1.673 179.070 177.300 0.161 0.000 1.157 504 P CA 1.650 64.879 63.100 0.214 0.000 0.874 504 P CB -0.362 31.448 31.700 0.183 0.000 0.790 505 L N -0.289 121.016 121.223 0.137 0.000 2.017 505 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 505 L C 2.693 179.615 176.870 0.087 0.000 1.073 505 L CA 1.594 56.481 54.840 0.078 0.000 0.745 505 L CB -1.369 40.707 42.059 0.028 0.000 0.894 505 L HN -0.193 nan 8.230 nan 0.000 0.432 506 I N -0.324 120.317 120.570 0.119 0.000 2.118 506 I HA -0.393 3.776 4.170 -0.002 0.000 0.241 506 I C 2.613 178.816 176.117 0.144 0.000 1.070 506 I CA 1.944 63.323 61.300 0.131 0.000 1.327 506 I CB -0.582 37.548 38.000 0.216 0.000 1.034 506 I HN 0.356 nan 8.210 nan 0.000 0.405 507 K N 1.285 121.795 120.400 0.183 0.000 2.015 507 K HA -0.276 4.042 4.320 -0.002 0.000 0.216 507 K C 2.207 178.864 176.600 0.095 0.000 1.052 507 K CA 2.070 58.434 56.287 0.129 0.000 0.937 507 K CB -0.248 32.322 32.500 0.117 0.000 0.719 507 K HN 0.326 nan 8.250 nan 0.000 0.446 508 A N 0.443 123.316 122.820 0.089 0.000 1.940 508 A HA -0.164 4.154 4.320 -0.002 0.000 0.219 508 A C 2.203 179.820 177.584 0.055 0.000 1.176 508 A CA 2.324 54.402 52.037 0.068 0.000 0.631 508 A CB -1.030 18.002 19.000 0.053 0.000 0.814 508 A HN 0.529 nan 8.150 nan 0.000 0.446 509 T N -0.275 114.310 114.554 0.052 0.000 2.701 509 T HA -0.114 4.235 4.350 -0.002 0.000 0.263 509 T C 1.901 176.625 174.700 0.041 0.000 1.040 509 T CA 1.569 63.690 62.100 0.037 0.000 1.147 509 T CB -0.548 68.333 68.868 0.023 0.000 0.865 509 T HN 0.172 nan 8.240 nan 0.000 0.426 510 V N 1.662 121.607 119.914 0.052 0.000 2.324 510 V HA -0.188 3.931 4.120 -0.002 0.000 0.250 510 V C 2.854 178.979 176.094 0.052 0.000 1.060 510 V CA 2.042 64.373 62.300 0.052 0.000 1.042 510 V CB -1.496 30.366 31.823 0.066 0.000 0.650 510 V HN 0.619 nan 8.190 nan 0.000 0.450 511 G N -0.165 108.671 108.800 0.060 0.000 2.446 511 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.217 511 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.217 511 G C 1.560 176.498 174.900 0.063 0.000 1.168 511 G CA 1.198 46.337 45.100 0.065 0.000 0.771 511 G HN 0.442 nan 8.290 nan 0.000 0.551 512 L N 1.004 122.261 121.223 0.056 0.000 1.989 512 L HA -0.032 4.307 4.340 -0.002 0.000 0.211 512 L C 2.746 179.644 176.870 0.046 0.000 1.071 512 L CA 1.502 56.373 54.840 0.051 0.000 0.749 512 L CB -0.586 41.496 42.059 0.039 0.000 0.890 512 L HN 0.294 nan 8.230 nan 0.000 0.431 513 I N -0.656 119.938 120.570 0.040 0.000 2.194 513 I HA -0.372 3.797 4.170 -0.002 0.000 0.246 513 I C 2.743 178.884 176.117 0.040 0.000 1.093 513 I CA 1.674 62.996 61.300 0.037 0.000 1.355 513 I CB -0.501 37.518 38.000 0.030 0.000 1.046 513 I HN 0.402 nan 8.210 nan 0.000 0.413 514 R N 1.470 121.995 120.500 0.041 0.000 2.113 514 R HA -0.237 4.102 4.340 -0.002 0.000 0.231 514 R C 2.155 178.479 176.300 0.040 0.000 1.129 514 R CA 2.401 58.524 56.100 0.039 0.000 0.915 514 R CB -0.416 29.911 30.300 0.044 0.000 0.837 514 R HN 0.378 nan 8.270 nan 0.000 0.430 515 N N 0.877 119.604 118.700 0.045 0.000 2.132 515 N HA -0.204 4.534 4.740 -0.002 0.000 0.191 515 N C 1.940 177.469 175.510 0.032 0.000 1.015 515 N CA 1.559 54.633 53.050 0.040 0.000 0.864 515 N CB -0.338 38.180 38.487 0.053 0.000 1.006 515 N HN 0.359 nan 8.380 nan 0.000 0.430 516 L N 0.561 121.806 121.223 0.037 0.000 2.353 516 L HA -0.062 4.277 4.340 -0.002 0.000 0.220 516 L C 2.157 179.051 176.870 0.041 0.000 1.133 516 L CA 0.569 55.428 54.840 0.031 0.000 0.798 516 L CB -0.315 41.765 42.059 0.034 0.000 0.922 516 L HN 0.126 nan 8.230 nan 0.000 0.445 517 A N -0.450 122.406 122.820 0.060 0.000 2.178 517 A HA 0.073 4.392 4.320 -0.002 0.000 0.211 517 A C 2.125 179.786 177.584 0.128 0.000 1.157 517 A CA 0.268 52.377 52.037 0.120 0.000 0.780 517 A CB -0.258 18.788 19.000 0.078 0.000 0.828 517 A HN 0.345 nan 8.150 nan 0.000 0.476 518 L N -0.873 120.380 121.223 0.049 0.000 2.191 518 L HA -0.108 4.231 4.340 -0.002 0.000 0.212 518 L C 1.263 178.116 176.870 -0.028 0.000 1.103 518 L CA 0.234 55.086 54.840 0.021 0.000 0.769 518 L CB -0.439 41.618 42.059 -0.002 0.000 0.908 518 L HN 0.505 nan 8.230 nan 0.000 0.438 519 C N 2.554 121.814 119.300 -0.067 0.000 2.281 519 C HA 0.271 4.730 4.460 -0.002 0.000 0.336 519 C C -0.461 174.315 174.990 -0.357 0.000 1.217 519 C CA -1.942 56.986 59.018 -0.149 0.000 1.730 519 C CB 0.341 28.020 27.740 -0.102 0.000 2.338 519 C HN 0.143 nan 8.230 nan 0.000 0.521 520 P HA -0.095 nan 4.420 nan 0.000 0.226 520 P C 1.061 178.037 177.300 -0.540 0.000 1.146 520 P CA 1.558 64.057 63.100 -1.003 0.000 0.773 520 P CB 0.082 31.508 31.700 -0.456 0.000 0.772 521 A N -0.162 122.483 122.820 -0.292 0.000 2.167 521 A HA -0.034 4.285 4.320 -0.002 0.000 0.214 521 A C 1.976 179.493 177.584 -0.110 0.000 1.151 521 A CA 0.754 52.698 52.037 -0.156 0.000 0.735 521 A CB -0.679 18.251 19.000 -0.116 0.000 0.802 521 A HN 0.145 nan 8.150 nan 0.000 0.467 522 N N -1.070 117.559 118.700 -0.119 0.000 2.282 522 N HA 0.031 4.769 4.740 -0.002 0.000 0.185 522 N C 1.069 176.626 175.510 0.078 0.000 1.099 522 N CA 0.272 53.309 53.050 -0.022 0.000 0.878 522 N CB -0.336 38.147 38.487 -0.007 0.000 0.993 522 N HN 0.702 nan 8.380 nan 0.000 0.481 523 H N 1.379 120.444 119.070 -0.009 0.000 2.252 523 H HA -0.172 4.383 4.556 -0.002 0.000 0.292 523 H C 2.022 177.356 175.328 0.010 0.000 1.082 523 H CA 1.717 57.765 56.048 0.001 0.000 1.229 523 H CB 0.222 29.987 29.762 0.004 0.000 1.353 523 H HN 0.230 nan 8.280 nan 0.000 0.488 524 A N 0.948 123.860 122.820 0.153 0.000 1.841 524 A HA -0.087 4.232 4.320 -0.002 0.000 0.214 524 A C -0.208 177.404 177.584 0.046 0.000 1.195 524 A CA 1.389 53.473 52.037 0.079 0.000 0.611 524 A CB -1.356 17.675 19.000 0.052 0.000 0.835 524 A HN 0.297 nan 8.150 nan 0.000 0.443 525 P HA -0.144 nan 4.420 nan 0.000 0.217 525 P C 1.497 178.814 177.300 0.027 0.000 1.148 525 P CA 0.848 63.956 63.100 0.014 0.000 0.828 525 P CB -0.000 31.695 31.700 -0.009 0.000 0.783 526 L N -0.815 120.434 121.223 0.043 0.000 2.131 526 L HA 0.027 4.365 4.340 -0.002 0.000 0.206 526 L C 2.486 179.383 176.870 0.045 0.000 1.087 526 L CA 1.567 56.435 54.840 0.046 0.000 0.767 526 L CB -0.774 41.320 42.059 0.059 0.000 0.917 526 L HN -0.233 nan 8.230 nan 0.000 0.441 527 R N -0.373 120.155 120.500 0.047 0.000 2.092 527 R HA -0.137 4.202 4.340 -0.002 0.000 0.231 527 R C 1.922 178.242 176.300 0.034 0.000 1.119 527 R CA 1.464 57.588 56.100 0.039 0.000 0.970 527 R CB -0.112 30.212 30.300 0.038 0.000 0.864 527 R HN 0.469 nan 8.270 nan 0.000 0.440 528 E N -0.005 120.213 120.200 0.029 0.000 2.268 528 E HA -0.157 4.192 4.350 -0.002 0.000 0.195 528 E C 1.517 178.137 176.600 0.033 0.000 0.995 528 E CA 0.553 56.967 56.400 0.023 0.000 0.836 528 E CB 0.148 29.857 29.700 0.016 0.000 0.763 528 E HN 0.343 nan 8.360 nan 0.000 0.491 529 Q N -0.314 119.512 119.800 0.043 0.000 2.444 529 Q HA 0.040 4.378 4.340 -0.002 0.000 0.206 529 Q C 0.798 176.843 176.000 0.076 0.000 0.948 529 Q CA 0.640 56.477 55.803 0.057 0.000 0.946 529 Q CB 0.631 29.403 28.738 0.057 0.000 1.027 529 Q HN 0.373 nan 8.270 nan 0.000 0.513 530 G N 0.863 109.703 108.800 0.066 0.000 2.298 530 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.287 530 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.287 530 G C 0.786 175.746 174.900 0.099 0.000 1.075 530 G CA 0.471 45.620 45.100 0.080 0.000 0.960 530 G HN 0.464 nan 8.290 nan 0.000 0.502 531 A N -0.378 122.483 122.820 0.067 0.000 1.887 531 A HA 0.386 4.705 4.320 -0.002 0.000 0.212 531 A C 2.392 180.006 177.584 0.050 0.000 1.198 531 A CA 1.465 53.532 52.037 0.049 0.000 0.628 531 A CB -0.187 18.834 19.000 0.035 0.000 0.847 531 A HN 0.723 nan 8.150 nan 0.000 0.449 532 I N 0.359 120.958 120.570 0.050 0.000 2.118 532 I HA -0.219 3.950 4.170 -0.002 0.000 0.241 532 I C -0.542 175.612 176.117 0.062 0.000 1.070 532 I CA 1.751 63.083 61.300 0.053 0.000 1.327 532 I CB -1.478 36.550 38.000 0.046 0.000 1.034 532 I HN 0.198 nan 8.210 nan 0.000 0.405 533 P HA -0.211 nan 4.420 nan 0.000 0.214 533 P C 1.589 178.939 177.300 0.083 0.000 1.163 533 P CA 1.516 64.657 63.100 0.069 0.000 0.889 533 P CB -0.055 31.688 31.700 0.070 0.000 0.790 534 R N 0.037 120.602 120.500 0.108 0.000 2.073 534 R HA -0.069 4.270 4.340 -0.002 0.000 0.234 534 R C 2.257 178.599 176.300 0.070 0.000 1.134 534 R CA 1.583 57.751 56.100 0.113 0.000 0.952 534 R CB -1.625 28.724 30.300 0.082 0.000 0.850 534 R HN 0.098 nan 8.270 nan 0.000 0.433 535 L N -0.268 120.988 121.223 0.055 0.000 2.013 535 L HA -0.219 4.120 4.340 -0.002 0.000 0.212 535 L C 2.373 179.287 176.870 0.073 0.000 1.073 535 L CA 1.580 56.457 54.840 0.062 0.000 0.753 535 L CB -0.720 41.376 42.059 0.061 0.000 0.890 535 L HN 0.065 nan 8.230 nan 0.000 0.432 536 V N -0.377 119.578 119.914 0.068 0.000 2.287 536 V HA -0.361 3.758 4.120 -0.002 0.000 0.248 536 V C 2.498 178.611 176.094 0.030 0.000 1.053 536 V CA 2.134 64.460 62.300 0.042 0.000 1.027 536 V CB -0.627 31.214 31.823 0.030 0.000 0.646 536 V HN 0.540 nan 8.190 nan 0.000 0.447 537 Q N -0.229 119.602 119.800 0.052 0.000 2.002 537 Q HA -0.230 4.109 4.340 -0.002 0.000 0.204 537 Q C 2.310 178.362 176.000 0.087 0.000 0.988 537 Q CA 2.205 58.045 55.803 0.063 0.000 0.843 537 Q CB -0.256 28.530 28.738 0.079 0.000 0.908 537 Q HN 0.611 nan 8.270 nan 0.000 0.420 538 L N 0.443 121.733 121.223 0.112 0.000 2.051 538 L HA -0.257 4.082 4.340 -0.002 0.000 0.214 538 L C 2.608 179.555 176.870 0.129 0.000 1.076 538 L CA 0.927 55.867 54.840 0.167 0.000 0.758 538 L CB -0.694 41.476 42.059 0.185 0.000 0.890 538 L HN 0.379 nan 8.230 nan 0.000 0.433 539 L N -0.367 120.906 121.223 0.083 0.000 1.989 539 L HA -0.189 4.150 4.340 -0.002 0.000 0.211 539 L C 2.439 179.343 176.870 0.057 0.000 1.071 539 L CA 1.749 56.620 54.840 0.051 0.000 0.749 539 L CB -0.546 41.525 42.059 0.019 0.000 0.890 539 L HN -0.074 nan 8.230 nan 0.000 0.431 540 V N 0.360 120.296 119.914 0.038 0.000 2.219 540 V HA -0.344 3.774 4.120 -0.002 0.000 0.248 540 V C 2.849 178.997 176.094 0.091 0.000 1.053 540 V CA 2.224 64.556 62.300 0.054 0.000 1.009 540 V CB -0.891 30.946 31.823 0.024 0.000 0.636 540 V HN 0.470 nan 8.190 nan 0.000 0.445 541 R N 0.490 121.043 120.500 0.087 0.000 2.080 541 R HA -0.143 4.196 4.340 -0.002 0.000 0.236 541 R C 2.426 178.767 176.300 0.069 0.000 1.137 541 R CA 1.855 58.009 56.100 0.091 0.000 0.943 541 R CB -1.646 28.737 30.300 0.139 0.000 0.846 541 R HN 0.555 nan 8.270 nan 0.000 0.431 542 A N 0.853 123.714 122.820 0.067 0.000 1.917 542 A HA -0.264 4.055 4.320 -0.002 0.000 0.219 542 A C 2.183 179.759 177.584 -0.013 0.000 1.182 542 A CA 2.149 54.165 52.037 -0.036 0.000 0.633 542 A CB -0.772 18.176 19.000 -0.087 0.000 0.819 542 A HN 0.536 nan 8.150 nan 0.000 0.448 543 H N -0.613 118.428 119.070 -0.049 0.000 2.299 543 H HA -0.119 4.436 4.556 -0.002 0.000 0.302 543 H C 2.128 177.435 175.328 -0.035 0.000 1.078 543 H CA 2.085 58.106 56.048 -0.045 0.000 1.323 543 H CB -0.417 29.320 29.762 -0.040 0.000 1.381 543 H HN 0.558 nan 8.280 nan 0.000 0.498 544 Q N -0.284 119.438 119.800 -0.131 0.000 2.308 544 Q HA -0.192 4.147 4.340 -0.002 0.000 0.209 544 Q C 1.672 177.585 176.000 -0.145 0.000 0.985 544 Q CA 1.767 57.469 55.803 -0.169 0.000 0.881 544 Q CB -0.094 28.620 28.738 -0.040 0.000 0.917 544 Q HN 0.607 nan 8.270 nan 0.000 0.443 545 D N -0.819 119.517 120.400 -0.107 0.000 2.162 545 D HA -0.102 4.537 4.640 -0.002 0.000 0.203 545 D C 1.636 177.867 176.300 -0.115 0.000 0.967 545 D CA 1.721 55.669 54.000 -0.086 0.000 0.840 545 D CB 0.071 40.828 40.800 -0.071 0.000 0.972 545 D HN 0.413 nan 8.370 nan 0.000 0.482 546 T N -1.615 112.850 114.554 -0.148 0.000 3.072 546 T HA -0.042 4.306 4.350 -0.002 0.000 0.266 546 T C 1.647 176.257 174.700 -0.149 0.000 1.127 546 T CA 0.625 62.645 62.100 -0.133 0.000 1.107 546 T CB 0.199 69.007 68.868 -0.099 0.000 0.910 546 T HN -0.001 nan 8.240 nan 0.000 0.513 547 Q N 1.475 121.147 119.800 -0.214 0.000 2.259 547 Q HA 0.112 4.450 4.340 -0.002 0.000 0.201 547 Q C 2.535 178.472 176.000 -0.104 0.000 0.938 547 Q CA 0.973 56.664 55.803 -0.185 0.000 0.872 547 Q CB -0.154 28.423 28.738 -0.267 0.000 0.971 547 Q HN 0.829 nan 8.270 nan 0.000 0.494 548 R N -0.173 120.272 120.500 -0.091 0.000 2.193 548 R HA 0.134 4.472 4.340 -0.002 0.000 0.213 548 R C 1.655 177.931 176.300 -0.040 0.000 1.055 548 R CA 0.326 56.394 56.100 -0.054 0.000 0.995 548 R CB -0.047 30.228 30.300 -0.041 0.000 0.893 548 R HN -0.100 nan 8.270 nan 0.000 0.459 549 R N 0.831 121.303 120.500 -0.048 0.000 2.235 549 R HA 0.030 4.369 4.340 -0.002 0.000 0.213 549 R C 1.307 177.593 176.300 -0.023 0.000 1.059 549 R CA 1.200 57.281 56.100 -0.032 0.000 0.997 549 R CB -0.335 29.941 30.300 -0.039 0.000 0.884 549 R HN 0.330 nan 8.270 nan 0.000 0.462 550 T N 0.792 115.327 114.554 -0.031 0.000 2.706 550 T HA -0.046 4.302 4.350 -0.002 0.000 0.255 550 T C 1.246 175.937 174.700 -0.016 0.000 1.048 550 T CA 1.122 63.209 62.100 -0.022 0.000 1.153 550 T CB -0.176 68.677 68.868 -0.026 0.000 0.865 550 T HN 0.387 nan 8.240 nan 0.000 0.414 559 F N -0.045 119.878 119.950 -0.044 0.000 2.523 559 F HA 0.921 5.447 4.527 -0.002 0.000 0.329 559 F C 0.465 176.237 175.800 -0.047 0.000 1.061 559 F CA -1.805 56.164 58.000 -0.052 0.000 0.967 559 F CB 2.571 41.555 39.000 -0.027 0.000 1.218 559 F HN 0.311 nan 8.300 nan 0.000 0.480 560 V N 0.744 120.720 119.914 0.103 0.000 2.655 560 V HA 0.243 4.362 4.120 -0.002 0.000 0.301 560 V C -0.334 175.854 176.094 0.157 0.000 1.082 560 V CA -1.422 60.932 62.300 0.090 0.000 0.899 560 V CB 1.419 33.232 31.823 -0.015 0.000 1.014 560 V HN 0.834 nan 8.190 nan 0.000 0.429 561 E N 3.211 123.518 120.200 0.179 0.000 2.971 561 E HA -0.348 4.000 4.350 -0.002 0.000 0.271 561 E C 1.313 178.019 176.600 0.177 0.000 1.053 561 E CA 1.021 57.529 56.400 0.179 0.000 0.817 561 E CB -1.107 28.740 29.700 0.245 0.000 1.410 561 E HN 1.582 nan 8.360 nan 0.000 0.445 562 G N -1.327 107.587 108.800 0.190 0.000 2.399 562 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.216 562 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.216 562 G C 0.314 175.358 174.900 0.239 0.000 1.096 562 G CA -0.127 45.106 45.100 0.221 0.000 0.650 562 G HN 0.363 nan 8.290 nan 0.000 0.512 563 V N 4.113 124.100 119.914 0.121 0.000 2.427 563 V HA 0.468 4.587 4.120 -0.002 0.000 0.268 563 V C 1.067 177.029 176.094 -0.220 0.000 1.046 563 V CA 0.027 62.318 62.300 -0.015 0.000 0.970 563 V CB 0.840 32.675 31.823 0.021 0.000 1.001 563 V HN 0.698 nan 8.190 nan 0.000 0.476 564 R N 5.292 125.555 120.500 -0.394 0.000 2.390 564 R HA 0.361 4.700 4.340 -0.002 0.000 0.291 564 R C 0.889 176.922 176.300 -0.445 0.000 1.070 564 R CA -0.778 54.971 56.100 -0.586 0.000 1.014 564 R CB 0.568 30.227 30.300 -1.069 0.000 1.007 564 R HN 0.428 nan 8.270 nan 0.000 0.466 565 M N 1.820 121.155 119.600 -0.441 0.000 2.143 565 M HA -0.217 4.262 4.480 -0.002 0.000 0.258 565 M C 1.448 177.597 176.300 -0.253 0.000 1.071 565 M CA 1.839 56.901 55.300 -0.396 0.000 1.088 565 M CB -1.078 31.324 32.600 -0.331 0.000 1.360 565 M HN 0.775 nan 8.290 nan 0.000 0.404 566 E N 0.038 120.104 120.200 -0.222 0.000 2.171 566 E HA -0.230 4.119 4.350 -0.002 0.000 0.197 566 E C 1.863 178.392 176.600 -0.117 0.000 0.997 566 E CA 1.371 57.688 56.400 -0.139 0.000 0.810 566 E CB -0.208 29.408 29.700 -0.141 0.000 0.738 566 E HN 0.659 nan 8.360 nan 0.000 0.467 567 E N 0.197 120.304 120.200 -0.155 0.000 2.107 567 E HA -0.120 4.229 4.350 -0.002 0.000 0.191 567 E C 2.048 178.602 176.600 -0.075 0.000 0.982 567 E CA 0.436 56.774 56.400 -0.102 0.000 0.809 567 E CB 0.102 29.737 29.700 -0.108 0.000 0.756 567 E HN 0.210 nan 8.360 nan 0.000 0.459 568 I N 0.991 121.488 120.570 -0.121 0.000 2.394 568 I HA -0.186 3.983 4.170 -0.002 0.000 0.251 568 I C 2.336 178.437 176.117 -0.026 0.000 1.136 568 I CA 0.933 62.187 61.300 -0.078 0.000 1.425 568 I CB -0.939 36.953 38.000 -0.179 0.000 1.079 568 I HN 0.002 nan 8.210 nan 0.000 0.425 569 V N 0.854 120.746 119.914 -0.036 0.000 2.261 569 V HA -0.272 3.847 4.120 -0.002 0.000 0.246 569 V C 2.582 178.683 176.094 0.011 0.000 1.047 569 V CA 2.009 64.310 62.300 0.001 0.000 1.015 569 V CB -0.731 31.098 31.823 0.009 0.000 0.642 569 V HN 0.429 nan 8.190 nan 0.000 0.446 570 E N 0.303 120.501 120.200 -0.002 0.000 2.038 570 E HA -0.272 4.077 4.350 -0.002 0.000 0.195 570 E C 2.242 178.851 176.600 0.015 0.000 1.000 570 E CA 1.630 58.032 56.400 0.002 0.000 0.803 570 E CB -0.251 29.446 29.700 -0.005 0.000 0.750 570 E HN 0.533 nan 8.360 nan 0.000 0.448 571 A N 0.797 123.629 122.820 0.020 0.000 1.851 571 A HA -0.246 4.073 4.320 -0.002 0.000 0.216 571 A C 2.610 180.221 177.584 0.045 0.000 1.195 571 A CA 1.728 53.786 52.037 0.035 0.000 0.622 571 A CB -1.221 17.804 19.000 0.040 0.000 0.831 571 A HN 0.566 nan 8.150 nan 0.000 0.444 572 C N -1.055 118.277 119.300 0.053 0.000 2.388 572 C HA -0.136 4.323 4.460 -0.002 0.000 0.277 572 C C 3.073 178.115 174.990 0.085 0.000 1.210 572 C CA 1.675 60.735 59.018 0.071 0.000 1.743 572 C CB -1.735 26.052 27.740 0.078 0.000 2.047 572 C HN 0.679 nan 8.230 nan 0.000 0.458 573 T N 0.499 115.110 114.554 0.096 0.000 2.652 573 T HA -0.097 4.252 4.350 -0.002 0.000 0.267 573 T C 1.979 176.696 174.700 0.028 0.000 1.039 573 T CA 1.921 64.087 62.100 0.109 0.000 1.153 573 T CB -0.842 68.085 68.868 0.098 0.000 0.863 573 T HN 0.704 nan 8.240 nan 0.000 0.428 574 G N 0.850 109.663 108.800 0.021 0.000 2.462 574 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.220 574 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.220 574 G C 1.721 176.652 174.900 0.052 0.000 1.121 574 G CA 0.922 46.042 45.100 0.033 0.000 0.758 574 G HN 0.606 nan 8.290 nan 0.000 0.559 575 A N 0.190 123.035 122.820 0.042 0.000 1.970 575 A HA 0.275 4.594 4.320 -0.002 0.000 0.216 575 A C 2.350 179.941 177.584 0.012 0.000 1.170 575 A CA 0.772 52.828 52.037 0.032 0.000 0.645 575 A CB -0.192 18.833 19.000 0.041 0.000 0.816 575 A HN 0.350 nan 8.150 nan 0.000 0.447 576 L N -1.560 119.675 121.223 0.021 0.000 2.131 576 L HA -0.092 4.247 4.340 -0.002 0.000 0.206 576 L C 2.578 179.404 176.870 -0.073 0.000 1.087 576 L CA 1.358 56.195 54.840 -0.006 0.000 0.767 576 L CB -0.623 41.471 42.059 0.058 0.000 0.917 576 L HN 0.625 nan 8.230 nan 0.000 0.441 577 H N 0.851 119.814 119.070 -0.178 0.000 2.319 577 H HA -0.180 4.375 4.556 -0.002 0.000 0.299 577 H C 2.095 177.328 175.328 -0.157 0.000 1.092 577 H CA 1.917 57.828 56.048 -0.228 0.000 1.302 577 H CB 0.084 29.688 29.762 -0.263 0.000 1.373 577 H HN 0.042 nan 8.280 nan 0.000 0.497 578 I N -0.012 120.369 120.570 -0.314 0.000 2.353 578 I HA -0.141 4.027 4.170 -0.002 0.000 0.248 578 I C 2.118 178.104 176.117 -0.218 0.000 1.119 578 I CA 0.651 61.769 61.300 -0.303 0.000 1.417 578 I CB -1.044 36.889 38.000 -0.111 0.000 1.078 578 I HN 0.318 nan 8.210 nan 0.000 0.421 579 L N 1.080 122.202 121.223 -0.169 0.000 2.610 579 L HA 0.142 4.481 4.340 -0.002 0.000 0.232 579 L C 1.940 178.646 176.870 -0.274 0.000 1.149 579 L CA 0.675 55.395 54.840 -0.201 0.000 0.872 579 L CB -0.604 41.401 42.059 -0.091 0.000 0.992 579 L HN 0.123 nan 8.230 nan 0.000 0.447 580 A N -1.292 121.379 122.820 -0.248 0.000 2.379 580 A HA 0.142 4.460 4.320 -0.002 0.000 0.236 580 A C 1.985 179.435 177.584 -0.224 0.000 1.272 580 A CA -0.152 51.760 52.037 -0.209 0.000 0.886 580 A CB -0.481 18.418 19.000 -0.168 0.000 0.962 580 A HN 0.396 nan 8.150 nan 0.000 0.504 581 R N -0.067 120.254 120.500 -0.299 0.000 2.307 581 R HA -0.004 4.335 4.340 -0.002 0.000 0.199 581 R C -0.373 175.831 176.300 -0.160 0.000 1.000 581 R CA 0.548 56.533 56.100 -0.192 0.000 1.023 581 R CB -0.013 30.239 30.300 -0.080 0.000 0.908 581 R HN 0.511 nan 8.270 nan 0.000 0.473 582 D N 0.351 120.582 120.400 -0.281 0.000 2.233 582 D HA 0.071 4.710 4.640 -0.002 0.000 0.240 582 D C 1.027 177.258 176.300 -0.114 0.000 1.074 582 D CA -0.310 53.609 54.000 -0.134 0.000 0.838 582 D CB 1.114 41.838 40.800 -0.127 0.000 1.124 582 D HN -0.104 nan 8.370 nan 0.000 0.475 583 I N 4.317 124.805 120.570 -0.136 0.000 2.113 583 I HA -0.366 3.803 4.170 -0.002 0.000 0.242 583 I C 1.308 177.319 176.117 -0.177 0.000 1.064 583 I CA 1.560 62.743 61.300 -0.194 0.000 1.320 583 I CB -0.038 37.779 38.000 -0.305 0.000 1.028 583 I HN 0.595 nan 8.210 nan 0.000 0.406 584 H N 1.081 120.142 119.070 -0.015 0.000 2.353 584 H HA -0.131 4.424 4.556 -0.002 0.000 0.300 584 H C 2.116 177.433 175.328 -0.020 0.000 1.090 584 H CA 1.651 57.693 56.048 -0.010 0.000 1.327 584 H CB -0.684 29.078 29.762 -0.000 0.000 1.383 584 H HN 0.512 nan 8.280 nan 0.000 0.508 585 N N 1.170 119.909 118.700 0.064 0.000 2.120 585 N HA -0.113 4.626 4.740 -0.002 0.000 0.188 585 N C 2.029 177.536 175.510 -0.006 0.000 1.024 585 N CA 0.640 53.692 53.050 0.005 0.000 0.852 585 N CB -0.141 38.298 38.487 -0.081 0.000 1.003 585 N HN 0.416 nan 8.380 nan 0.000 0.424 586 R N 0.629 121.111 120.500 -0.030 0.000 2.120 586 R HA 0.028 4.367 4.340 -0.002 0.000 0.234 586 R C 2.241 178.546 176.300 0.008 0.000 1.123 586 R CA 0.715 56.801 56.100 -0.024 0.000 0.975 586 R CB -0.267 30.005 30.300 -0.046 0.000 0.866 586 R HN 0.290 nan 8.270 nan 0.000 0.446 587 I N 0.315 120.896 120.570 0.018 0.000 2.315 587 I HA -0.219 3.949 4.170 -0.002 0.000 0.248 587 I C 2.184 178.326 176.117 0.042 0.000 1.117 587 I CA 1.015 62.336 61.300 0.035 0.000 1.404 587 I CB -0.182 37.853 38.000 0.059 0.000 1.071 587 I HN -0.045 nan 8.210 nan 0.000 0.419 588 V N 1.102 121.044 119.914 0.047 0.000 2.283 588 V HA -0.219 3.900 4.120 -0.002 0.000 0.243 588 V C 2.340 178.463 176.094 0.049 0.000 1.039 588 V CA 1.556 63.883 62.300 0.045 0.000 1.016 588 V CB -0.363 31.486 31.823 0.044 0.000 0.650 588 V HN 0.278 nan 8.190 nan 0.000 0.449 589 I N 0.089 120.692 120.570 0.055 0.000 2.118 589 I HA -0.343 3.826 4.170 -0.002 0.000 0.241 589 I C 2.790 178.970 176.117 0.105 0.000 1.070 589 I CA 2.258 63.613 61.300 0.091 0.000 1.327 589 I CB -0.476 37.581 38.000 0.095 0.000 1.034 589 I HN 0.256 nan 8.210 nan 0.000 0.405 590 R N 1.145 121.695 120.500 0.083 0.000 2.075 590 R HA -0.133 4.206 4.340 -0.002 0.000 0.232 590 R C 2.377 178.706 176.300 0.048 0.000 1.126 590 R CA 1.601 57.746 56.100 0.075 0.000 0.963 590 R CB -0.626 29.706 30.300 0.052 0.000 0.858 590 R HN 0.420 nan 8.270 nan 0.000 0.435 591 G N 1.515 110.339 108.800 0.040 0.000 2.503 591 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.221 591 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.221 591 G C 1.313 176.227 174.900 0.022 0.000 1.131 591 G CA 0.833 45.950 45.100 0.029 0.000 0.756 591 G HN 0.311 nan 8.290 nan 0.000 0.572 592 L N 0.392 121.630 121.223 0.025 0.000 2.711 592 L HA 0.097 4.436 4.340 -0.002 0.000 0.242 592 L C 0.929 177.795 176.870 -0.007 0.000 1.153 592 L CA 0.109 54.956 54.840 0.011 0.000 0.898 592 L CB -0.985 41.083 42.059 0.015 0.000 1.044 592 L HN 0.338 nan 8.230 nan 0.000 0.437 593 N N 0.683 119.383 118.700 -0.001 0.000 2.608 593 N HA -0.209 4.529 4.740 -0.002 0.000 0.273 593 N C 0.785 176.259 175.510 -0.059 0.000 1.133 593 N CA 0.889 53.930 53.050 -0.015 0.000 0.726 593 N CB -0.399 38.079 38.487 -0.016 0.000 0.890 593 N HN 0.482 nan 8.380 nan 0.000 0.548 594 T N -2.224 112.290 114.554 -0.066 0.000 2.971 594 T HA 0.246 4.594 4.350 -0.002 0.000 0.252 594 T C 1.958 176.533 174.700 -0.209 0.000 1.022 594 T CA 0.372 62.322 62.100 -0.250 0.000 0.980 594 T CB -0.147 68.528 68.868 -0.321 0.000 1.044 594 T HN 0.332 nan 8.240 nan 0.000 0.501 595 I N 2.824 123.416 120.570 0.038 0.000 2.145 595 I HA -0.119 4.050 4.170 -0.002 0.000 0.244 595 I C -0.157 175.979 176.117 0.032 0.000 1.075 595 I CA 1.646 63.018 61.300 0.119 0.000 1.332 595 I CB -1.353 36.694 38.000 0.078 0.000 1.033 595 I HN 0.269 nan 8.210 nan 0.000 0.410 596 P HA -0.180 nan 4.420 nan 0.000 0.218 596 P C 1.880 179.135 177.300 -0.076 0.000 1.149 596 P CA 1.388 64.466 63.100 -0.036 0.000 0.817 596 P CB 0.035 31.717 31.700 -0.031 0.000 0.785 597 L N -0.901 120.216 121.223 -0.176 0.000 2.023 597 L HA 0.023 4.362 4.340 -0.002 0.000 0.205 597 L C 2.443 179.168 176.870 -0.242 0.000 1.073 597 L CA 1.671 56.355 54.840 -0.260 0.000 0.745 597 L CB -1.595 40.214 42.059 -0.416 0.000 0.900 597 L HN -0.264 nan 8.230 nan 0.000 0.435 598 F N -0.748 119.132 119.950 -0.117 0.000 2.192 598 F HA -0.204 4.322 4.527 -0.002 0.000 0.301 598 F C 2.440 178.152 175.800 -0.147 0.000 1.079 598 F CA 1.372 59.293 58.000 -0.132 0.000 1.303 598 F CB -1.342 37.597 39.000 -0.102 0.000 1.024 598 F HN -0.072 nan 8.300 nan 0.000 0.494 599 V N -0.618 119.314 119.914 0.030 0.000 2.358 599 V HA -0.245 3.874 4.120 -0.002 0.000 0.246 599 V C 2.434 178.405 176.094 -0.206 0.000 1.047 599 V CA 1.523 63.770 62.300 -0.088 0.000 1.035 599 V CB -0.591 31.186 31.823 -0.076 0.000 0.658 599 V HN 0.268 nan 8.190 nan 0.000 0.452 600 Q N -0.190 119.535 119.800 -0.126 0.000 2.124 600 Q HA -0.084 4.255 4.340 -0.002 0.000 0.202 600 Q C 2.221 178.188 176.000 -0.056 0.000 0.977 600 Q CA 1.374 57.138 55.803 -0.065 0.000 0.850 600 Q CB -0.397 28.363 28.738 0.036 0.000 0.901 600 Q HN 0.564 nan 8.270 nan 0.000 0.429 601 L N 0.301 121.467 121.223 -0.096 0.000 2.353 601 L HA -0.129 4.210 4.340 -0.002 0.000 0.220 601 L C 2.115 178.962 176.870 -0.037 0.000 1.133 601 L CA 0.368 55.172 54.840 -0.061 0.000 0.798 601 L CB -0.394 41.626 42.059 -0.065 0.000 0.922 601 L HN 0.176 nan 8.230 nan 0.000 0.445 602 L N -1.611 119.538 121.223 -0.123 0.000 2.291 602 L HA -0.184 4.155 4.340 -0.002 0.000 0.214 602 L C 1.763 178.615 176.870 -0.029 0.000 1.120 602 L CA 1.091 55.852 54.840 -0.131 0.000 0.799 602 L CB -0.388 41.520 42.059 -0.253 0.000 0.925 602 L HN 0.294 nan 8.230 nan 0.000 0.446 603 Y N -1.098 119.220 120.300 0.030 0.000 2.490 603 Y HA 0.077 4.626 4.550 -0.002 0.000 0.281 603 Y C 1.680 177.601 175.900 0.035 0.000 1.174 603 Y CA -0.786 57.334 58.100 0.033 0.000 1.295 603 Y CB 0.437 38.919 38.460 0.037 0.000 1.062 603 Y HN 0.024 nan 8.280 nan 0.000 0.522 604 S N 2.105 117.904 115.700 0.165 0.000 2.562 604 S HA 0.032 4.501 4.470 -0.002 0.000 0.281 604 S C -1.157 173.496 174.600 0.088 0.000 1.333 604 S CA -1.295 56.973 58.200 0.113 0.000 1.052 604 S CB 0.743 63.987 63.200 0.074 0.000 0.884 604 S HN 0.150 nan 8.310 nan 0.000 0.506 605 P HA 0.171 nan 4.420 nan 0.000 0.245 605 P C -0.179 177.144 177.300 0.038 0.000 1.206 605 P CA 0.434 63.563 63.100 0.049 0.000 0.781 605 P CB -0.036 31.686 31.700 0.038 0.000 0.994 606 I N 0.609 121.200 120.570 0.035 0.000 2.307 606 I HA 0.161 4.330 4.170 -0.002 0.000 0.289 606 I C 1.640 177.770 176.117 0.022 0.000 1.021 606 I CA -0.580 60.733 61.300 0.023 0.000 1.224 606 I CB 1.098 39.105 38.000 0.013 0.000 1.376 606 I HN -0.188 nan 8.210 nan 0.000 0.470 607 E N 4.325 124.538 120.200 0.022 0.000 2.045 607 E HA -0.272 4.077 4.350 -0.002 0.000 0.212 607 E C 1.494 178.101 176.600 0.013 0.000 1.039 607 E CA 1.841 58.254 56.400 0.022 0.000 0.860 607 E CB -0.009 29.704 29.700 0.023 0.000 0.776 607 E HN 0.648 nan 8.360 nan 0.000 0.467 608 N N 0.595 119.301 118.700 0.010 0.000 2.144 608 N HA -0.236 4.503 4.740 -0.002 0.000 0.195 608 N C 1.957 177.461 175.510 -0.011 0.000 1.006 608 N CA 1.399 54.451 53.050 0.003 0.000 0.880 608 N CB -0.458 38.032 38.487 0.004 0.000 1.018 608 N HN 0.284 nan 8.380 nan 0.000 0.443 609 I N 1.442 122.008 120.570 -0.007 0.000 2.202 609 I HA -0.249 3.920 4.170 -0.002 0.000 0.242 609 I C 2.429 178.530 176.117 -0.027 0.000 1.091 609 I CA 0.993 62.285 61.300 -0.012 0.000 1.368 609 I CB -0.323 37.679 38.000 0.003 0.000 1.058 609 I HN 0.139 nan 8.210 nan 0.000 0.410 610 Q N 0.409 120.202 119.800 -0.013 0.000 2.061 610 Q HA -0.268 4.071 4.340 -0.002 0.000 0.204 610 Q C 2.300 178.270 176.000 -0.050 0.000 0.984 610 Q CA 1.646 57.437 55.803 -0.020 0.000 0.846 610 Q CB -0.336 28.407 28.738 0.010 0.000 0.902 610 Q HN 0.412 nan 8.270 nan 0.000 0.421 611 R N 0.810 121.289 120.500 -0.035 0.000 2.132 611 R HA -0.203 4.136 4.340 -0.002 0.000 0.233 611 R C 2.361 178.517 176.300 -0.240 0.000 1.125 611 R CA 2.385 58.457 56.100 -0.046 0.000 0.914 611 R CB -0.632 29.668 30.300 -0.000 0.000 0.845 611 R HN 0.320 nan 8.270 nan 0.000 0.431 612 V N -1.230 118.545 119.914 -0.231 0.000 2.568 612 V HA -0.110 4.009 4.120 -0.002 0.000 0.253 612 V C 2.312 178.190 176.094 -0.360 0.000 1.072 612 V CA 1.739 63.834 62.300 -0.341 0.000 1.084 612 V CB -1.231 30.498 31.823 -0.156 0.000 0.676 612 V HN 0.501 nan 8.190 nan 0.000 0.469 613 A N 1.156 123.843 122.820 -0.221 0.000 1.832 613 A HA 0.108 4.427 4.320 -0.002 0.000 0.214 613 A C 2.544 179.974 177.584 -0.256 0.000 1.200 613 A CA 2.409 54.343 52.037 -0.172 0.000 0.610 613 A CB -1.367 17.594 19.000 -0.065 0.000 0.842 613 A HN 0.982 nan 8.150 nan 0.000 0.444 614 A N -0.596 122.099 122.820 -0.209 0.000 2.024 614 A HA 0.101 4.419 4.320 -0.002 0.000 0.220 614 A C 2.320 179.700 177.584 -0.340 0.000 1.164 614 A CA 2.000 53.934 52.037 -0.172 0.000 0.643 614 A CB -1.330 17.647 19.000 -0.039 0.000 0.806 614 A HN 0.753 nan 8.150 nan 0.000 0.451 615 G N -0.762 107.608 108.800 -0.718 0.000 2.453 615 G HA2 -0.147 3.811 3.960 -0.002 0.000 0.215 615 G HA3 -0.147 3.811 3.960 -0.002 0.000 0.215 615 G C 1.626 176.162 174.900 -0.607 0.000 1.201 615 G CA 1.163 45.471 45.100 -1.320 0.000 0.784 615 G HN 0.556 nan 8.290 nan 0.000 0.545 616 V N 0.826 120.443 119.914 -0.496 0.000 2.392 616 V HA -0.093 4.025 4.120 -0.002 0.000 0.249 616 V C 2.855 178.743 176.094 -0.342 0.000 1.059 616 V CA 1.772 63.836 62.300 -0.393 0.000 1.051 616 V CB -0.274 31.026 31.823 -0.872 0.000 0.658 616 V HN 0.410 nan 8.190 nan 0.000 0.455 617 L N -0.631 120.400 121.223 -0.319 0.000 2.083 617 L HA -0.197 4.142 4.340 -0.002 0.000 0.209 617 L C 2.780 179.601 176.870 -0.082 0.000 1.083 617 L CA 1.722 56.465 54.840 -0.162 0.000 0.752 617 L CB -0.867 41.129 42.059 -0.105 0.000 0.899 617 L HN 0.579 nan 8.230 nan 0.000 0.433 618 C N 0.460 119.717 119.300 -0.072 0.000 2.413 618 C HA -0.162 4.297 4.460 -0.002 0.000 0.277 618 C C 2.803 177.811 174.990 0.030 0.000 1.228 618 C CA 0.999 60.034 59.018 0.028 0.000 1.731 618 C CB -0.590 27.224 27.740 0.123 0.000 2.042 618 C HN 0.486 nan 8.230 nan 0.000 0.468 619 E N 0.493 120.699 120.200 0.010 0.000 2.204 619 E HA -0.115 4.234 4.350 -0.002 0.000 0.195 619 E C 2.062 178.643 176.600 -0.032 0.000 0.990 619 E CA 1.181 57.574 56.400 -0.011 0.000 0.821 619 E CB -0.409 29.258 29.700 -0.056 0.000 0.750 619 E HN 0.724 nan 8.360 nan 0.000 0.477 620 L N -0.238 120.957 121.223 -0.045 0.000 2.307 620 L HA 0.090 4.429 4.340 -0.002 0.000 0.211 620 L C 2.281 179.142 176.870 -0.015 0.000 1.099 620 L CA 0.553 55.372 54.840 -0.034 0.000 0.816 620 L CB -0.290 41.745 42.059 -0.039 0.000 0.952 620 L HN -0.027 nan 8.230 nan 0.000 0.455 621 A N 0.577 123.393 122.820 -0.006 0.000 2.172 621 A HA -0.170 4.149 4.320 -0.002 0.000 0.216 621 A C 2.061 179.649 177.584 0.007 0.000 1.154 621 A CA 0.820 52.860 52.037 0.006 0.000 0.701 621 A CB -0.455 18.558 19.000 0.021 0.000 0.789 621 A HN 0.642 nan 8.150 nan 0.000 0.465 622 Q N -0.333 119.472 119.800 0.008 0.000 2.466 622 Q HA 0.049 4.388 4.340 -0.002 0.000 0.210 622 Q C -1.039 174.956 176.000 -0.008 0.000 0.961 622 Q CA 0.319 56.127 55.803 0.008 0.000 0.953 622 Q CB -0.026 28.721 28.738 0.014 0.000 1.011 622 Q HN 0.419 nan 8.270 nan 0.000 0.516 623 D N 1.539 121.932 120.400 -0.013 0.000 2.505 623 D HA 0.087 4.726 4.640 -0.002 0.000 0.250 623 D C 0.053 176.343 176.300 -0.016 0.000 1.164 623 D CA -0.339 53.651 54.000 -0.017 0.000 0.870 623 D CB 1.885 42.675 40.800 -0.018 0.000 1.160 623 D HN 0.073 nan 8.370 nan 0.000 0.549 624 K N 2.201 122.589 120.400 -0.021 0.000 2.066 624 K HA -0.324 3.995 4.320 -0.002 0.000 0.221 624 K C 0.975 177.566 176.600 -0.015 0.000 1.056 624 K CA 1.972 58.246 56.287 -0.022 0.000 0.950 624 K CB 0.281 32.767 32.500 -0.023 0.000 0.726 624 K HN 0.176 nan 8.250 nan 0.000 0.456 625 E N 0.148 120.342 120.200 -0.011 0.000 2.048 625 E HA -0.223 4.126 4.350 -0.002 0.000 0.202 625 E C 1.946 178.545 176.600 -0.002 0.000 1.021 625 E CA 1.869 58.266 56.400 -0.005 0.000 0.825 625 E CB -0.524 29.174 29.700 -0.002 0.000 0.756 625 E HN 0.521 nan 8.360 nan 0.000 0.454 626 A N 0.753 123.573 122.820 -0.000 0.000 1.972 626 A HA -0.025 4.294 4.320 -0.002 0.000 0.219 626 A C 2.325 179.912 177.584 0.004 0.000 1.169 626 A CA 1.839 53.880 52.037 0.006 0.000 0.635 626 A CB -0.821 18.183 19.000 0.006 0.000 0.810 626 A HN 0.276 nan 8.150 nan 0.000 0.446 627 A N 1.122 123.940 122.820 -0.004 0.000 1.851 627 A HA -0.229 4.089 4.320 -0.002 0.000 0.216 627 A C 1.996 179.578 177.584 -0.003 0.000 1.195 627 A CA 1.852 53.885 52.037 -0.006 0.000 0.622 627 A CB -0.795 18.194 19.000 -0.018 0.000 0.831 627 A HN 0.773 nan 8.150 nan 0.000 0.444 628 E N -0.102 120.094 120.200 -0.007 0.000 2.204 628 E HA -0.005 4.344 4.350 -0.002 0.000 0.195 628 E C 1.930 178.530 176.600 -0.001 0.000 0.990 628 E CA 1.030 57.426 56.400 -0.006 0.000 0.821 628 E CB -0.419 29.275 29.700 -0.010 0.000 0.750 628 E HN 0.489 nan 8.360 nan 0.000 0.477 629 A N 1.748 124.570 122.820 0.003 0.000 1.933 629 A HA -0.094 4.225 4.320 -0.002 0.000 0.218 629 A C 2.240 179.832 177.584 0.012 0.000 1.175 629 A CA 1.253 53.295 52.037 0.008 0.000 0.628 629 A CB -0.549 18.458 19.000 0.013 0.000 0.814 629 A HN 0.302 nan 8.150 nan 0.000 0.444 630 I N -0.928 119.650 120.570 0.013 0.000 2.500 630 I HA -0.157 4.011 4.170 -0.002 0.000 0.252 630 I C 2.490 178.613 176.117 0.010 0.000 1.142 630 I CA 1.352 62.661 61.300 0.015 0.000 1.451 630 I CB -0.258 37.751 38.000 0.015 0.000 1.093 630 I HN 0.535 nan 8.210 nan 0.000 0.430 631 E N 1.870 122.076 120.200 0.009 0.000 2.028 631 E HA -0.211 4.138 4.350 -0.002 0.000 0.191 631 E C 2.298 178.901 176.600 0.006 0.000 0.988 631 E CA 1.271 57.677 56.400 0.009 0.000 0.799 631 E CB -0.029 29.674 29.700 0.005 0.000 0.755 631 E HN 0.415 nan 8.360 nan 0.000 0.447 632 A N 0.904 123.726 122.820 0.002 0.000 2.076 632 A HA -0.190 4.129 4.320 -0.002 0.000 0.220 632 A C 1.895 179.484 177.584 0.008 0.000 1.160 632 A CA 1.643 53.681 52.037 0.002 0.000 0.653 632 A CB -0.446 18.554 19.000 -0.000 0.000 0.801 632 A HN 0.296 nan 8.150 nan 0.000 0.455 633 E N -0.607 119.599 120.200 0.010 0.000 2.482 633 E HA 0.205 4.554 4.350 -0.002 0.000 0.196 633 E C 1.033 177.644 176.600 0.018 0.000 1.047 633 E CA 0.742 57.149 56.400 0.012 0.000 0.869 633 E CB -0.509 29.197 29.700 0.009 0.000 0.836 633 E HN 0.806 nan 8.360 nan 0.000 0.520 634 G N -0.543 108.269 108.800 0.020 0.000 2.204 634 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.244 634 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.244 634 G C 0.789 175.705 174.900 0.026 0.000 1.062 634 G CA 0.442 45.562 45.100 0.033 0.000 0.798 634 G HN 0.495 nan 8.290 nan 0.000 0.496 635 A N -0.920 121.904 122.820 0.007 0.000 2.132 635 A HA 0.349 4.668 4.320 -0.002 0.000 0.213 635 A C 2.360 179.954 177.584 0.016 0.000 1.154 635 A CA 2.253 54.282 52.037 -0.014 0.000 0.753 635 A CB -0.350 18.640 19.000 -0.017 0.000 0.826 635 A HN 0.726 nan 8.150 nan 0.000 0.469 636 T N 0.783 115.361 114.554 0.040 0.000 2.652 636 T HA -0.144 4.205 4.350 -0.002 0.000 0.267 636 T C 2.268 177.016 174.700 0.080 0.000 1.039 636 T CA 1.826 63.967 62.100 0.068 0.000 1.153 636 T CB -0.503 68.411 68.868 0.076 0.000 0.863 636 T HN 0.591 nan 8.240 nan 0.000 0.428 637 A N 2.584 125.454 122.820 0.084 0.000 1.851 637 A HA -0.075 4.244 4.320 -0.002 0.000 0.216 637 A C 0.653 178.309 177.584 0.120 0.000 1.195 637 A CA 1.691 53.791 52.037 0.104 0.000 0.622 637 A CB -1.680 17.389 19.000 0.114 0.000 0.831 637 A HN 0.456 nan 8.150 nan 0.000 0.444 638 P HA -0.152 nan 4.420 nan 0.000 0.214 638 P C 1.673 179.017 177.300 0.073 0.000 1.162 638 P CA 1.206 64.389 63.100 0.138 0.000 0.879 638 P CB -0.300 31.394 31.700 -0.011 0.000 0.786 639 L N -0.438 120.802 121.223 0.029 0.000 2.013 639 L HA -0.174 4.165 4.340 -0.002 0.000 0.212 639 L C 2.645 179.537 176.870 0.036 0.000 1.073 639 L CA 2.313 57.168 54.840 0.024 0.000 0.753 639 L CB -1.933 40.138 42.059 0.021 0.000 0.890 639 L HN 0.034 nan 8.230 nan 0.000 0.432 640 T N -1.227 113.359 114.554 0.054 0.000 2.869 640 T HA -0.252 4.096 4.350 -0.002 0.000 0.270 640 T C 1.743 176.473 174.700 0.050 0.000 1.082 640 T CA 1.618 63.747 62.100 0.048 0.000 1.123 640 T CB -0.138 68.777 68.868 0.079 0.000 0.856 640 T HN 0.441 nan 8.240 nan 0.000 0.499 641 E N 0.583 120.837 120.200 0.089 0.000 2.102 641 E HA 0.062 4.411 4.350 -0.002 0.000 0.190 641 E C 1.855 178.520 176.600 0.107 0.000 0.971 641 E CA 0.186 56.672 56.400 0.144 0.000 0.821 641 E CB -0.094 29.698 29.700 0.153 0.000 0.777 641 E HN 0.409 nan 8.360 nan 0.000 0.460 642 L N 1.416 122.678 121.223 0.065 0.000 2.651 642 L HA -0.153 4.186 4.340 -0.002 0.000 0.236 642 L C 2.094 178.961 176.870 -0.005 0.000 1.173 642 L CA 0.324 55.191 54.840 0.044 0.000 0.843 642 L CB -0.334 41.744 42.059 0.033 0.000 0.964 642 L HN 0.288 nan 8.230 nan 0.000 0.454 643 L N -1.137 120.040 121.223 -0.077 0.000 2.217 643 L HA -0.153 4.186 4.340 -0.002 0.000 0.211 643 L C 1.855 178.586 176.870 -0.230 0.000 1.107 643 L CA 0.702 55.427 54.840 -0.191 0.000 0.783 643 L CB -0.541 41.332 42.059 -0.310 0.000 0.919 643 L HN 0.399 nan 8.230 nan 0.000 0.442 644 H N -0.851 118.226 119.070 0.011 0.000 2.592 644 H HA 0.176 4.731 4.556 -0.002 0.000 0.291 644 H C 0.761 176.095 175.328 0.010 0.000 1.052 644 H CA -0.049 56.005 56.048 0.009 0.000 1.175 644 H CB 0.278 30.048 29.762 0.013 0.000 1.378 644 H HN 0.088 nan 8.280 nan 0.000 0.576 645 S N 1.398 117.144 115.700 0.075 0.000 2.565 645 S HA 0.099 4.568 4.470 -0.002 0.000 0.276 645 S C 1.227 175.849 174.600 0.037 0.000 1.326 645 S CA -0.868 57.366 58.200 0.056 0.000 1.045 645 S CB 0.630 63.853 63.200 0.038 0.000 0.918 645 S HN 0.584 nan 8.310 nan 0.000 0.505 646 R N 3.198 123.719 120.500 0.036 0.000 3.298 646 R HA 0.225 4.563 4.340 -0.002 0.000 0.249 646 R C -0.021 176.287 176.300 0.014 0.000 1.563 646 R CA -0.255 55.859 56.100 0.024 0.000 1.378 646 R CB -0.675 29.640 30.300 0.024 0.000 1.250 646 R HN 0.346 nan 8.270 nan 0.000 0.580 647 N N 1.503 120.209 118.700 0.010 0.000 2.504 647 N HA 0.027 4.766 4.740 -0.002 0.000 0.280 647 N C 0.341 175.842 175.510 -0.016 0.000 1.052 647 N CA -0.187 52.865 53.050 0.004 0.000 0.887 647 N CB 1.415 39.912 38.487 0.017 0.000 1.323 647 N HN 0.018 nan 8.380 nan 0.000 0.509 648 E N 2.505 122.688 120.200 -0.028 0.000 2.113 648 E HA -0.222 4.127 4.350 -0.002 0.000 0.210 648 E C 1.497 178.037 176.600 -0.100 0.000 1.040 648 E CA 2.088 58.453 56.400 -0.058 0.000 0.847 648 E CB -0.439 29.229 29.700 -0.053 0.000 0.755 648 E HN 0.811 nan 8.360 nan 0.000 0.459 649 G N 1.286 110.037 108.800 -0.082 0.000 2.484 649 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.215 649 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.215 649 G C 1.888 176.741 174.900 -0.078 0.000 1.219 649 G CA 1.539 46.554 45.100 -0.141 0.000 0.791 649 G HN 0.195 nan 8.290 nan 0.000 0.550 650 V N 2.064 122.008 119.914 0.051 0.000 2.226 650 V HA -0.323 3.796 4.120 -0.002 0.000 0.254 650 V C 3.386 179.494 176.094 0.025 0.000 1.065 650 V CA 2.732 65.078 62.300 0.076 0.000 1.039 650 V CB -1.342 30.507 31.823 0.043 0.000 0.653 650 V HN 0.539 nan 8.190 nan 0.000 0.450 651 A N -0.695 122.111 122.820 -0.025 0.000 1.873 651 A HA -0.308 4.011 4.320 -0.002 0.000 0.218 651 A C 2.341 179.876 177.584 -0.081 0.000 1.193 651 A CA 3.051 55.056 52.037 -0.053 0.000 0.629 651 A CB -1.272 17.688 19.000 -0.067 0.000 0.826 651 A HN 0.574 nan 8.150 nan 0.000 0.447 652 T N -0.906 113.557 114.554 -0.151 0.000 2.555 652 T HA -0.221 4.128 4.350 -0.002 0.000 0.264 652 T C 1.765 176.368 174.700 -0.162 0.000 1.083 652 T CA 2.055 64.021 62.100 -0.223 0.000 1.179 652 T CB -0.647 67.981 68.868 -0.402 0.000 0.863 652 T HN 0.508 nan 8.240 nan 0.000 0.412 653 Y N 1.727 121.996 120.300 -0.052 0.000 2.151 653 Y HA -0.113 4.436 4.550 -0.002 0.000 0.284 653 Y C 2.762 178.635 175.900 -0.045 0.000 1.166 653 Y CA 0.489 58.555 58.100 -0.056 0.000 1.163 653 Y CB -1.337 37.062 38.460 -0.102 0.000 0.974 653 Y HN 0.245 nan 8.280 nan 0.000 0.511 654 A N 0.229 123.111 122.820 0.103 0.000 1.859 654 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 654 A C 2.538 180.143 177.584 0.035 0.000 1.198 654 A CA 2.497 54.562 52.037 0.047 0.000 0.629 654 A CB -1.422 17.588 19.000 0.018 0.000 0.830 654 A HN 0.428 nan 8.150 nan 0.000 0.446 655 A N -0.393 122.430 122.820 0.005 0.000 1.933 655 A HA 0.136 4.455 4.320 -0.002 0.000 0.218 655 A C 2.516 180.130 177.584 0.051 0.000 1.175 655 A CA 2.258 54.296 52.037 0.001 0.000 0.628 655 A CB -1.083 17.886 19.000 -0.052 0.000 0.814 655 A HN 1.177 nan 8.150 nan 0.000 0.444 656 A N -0.430 122.422 122.820 0.053 0.000 1.892 656 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 656 A C 2.237 179.912 177.584 0.152 0.000 1.188 656 A CA 2.076 54.176 52.037 0.106 0.000 0.631 656 A CB -1.058 18.009 19.000 0.112 0.000 0.822 656 A HN 0.475 nan 8.150 nan 0.000 0.447 657 V N 0.098 120.077 119.914 0.109 0.000 2.358 657 V HA -0.247 3.872 4.120 -0.002 0.000 0.246 657 V C 2.555 178.701 176.094 0.087 0.000 1.047 657 V CA 1.823 64.173 62.300 0.082 0.000 1.035 657 V CB -0.875 30.976 31.823 0.047 0.000 0.658 657 V HN 0.554 nan 8.190 nan 0.000 0.452 658 L N -1.061 120.219 121.223 0.095 0.000 1.989 658 L HA -0.218 4.121 4.340 -0.002 0.000 0.211 658 L C 2.428 179.375 176.870 0.129 0.000 1.071 658 L CA 2.066 56.966 54.840 0.099 0.000 0.749 658 L CB -0.735 41.372 42.059 0.080 0.000 0.890 658 L HN 0.352 nan 8.230 nan 0.000 0.431 659 F N 1.028 120.977 119.950 -0.002 0.000 2.043 659 F HA -0.257 4.269 4.527 -0.002 0.000 0.297 659 F C 2.810 178.617 175.800 0.011 0.000 1.121 659 F CA 1.586 59.582 58.000 -0.006 0.000 1.199 659 F CB -0.346 38.645 39.000 -0.015 0.000 0.968 659 F HN -0.073 nan 8.300 nan 0.000 0.478 660 R N 0.274 120.756 120.500 -0.029 0.000 2.096 660 R HA -0.231 4.107 4.340 -0.002 0.000 0.240 660 R C 2.283 178.504 176.300 -0.131 0.000 1.139 660 R CA 2.193 58.215 56.100 -0.130 0.000 0.952 660 R CB -1.269 29.033 30.300 0.004 0.000 0.854 660 R HN 0.426 nan 8.270 nan 0.000 0.436 661 M N 0.306 119.879 119.600 -0.044 0.000 2.084 661 M HA -0.129 4.350 4.480 -0.002 0.000 0.259 661 M C 2.233 178.521 176.300 -0.020 0.000 1.072 661 M CA 1.907 57.198 55.300 -0.016 0.000 1.107 661 M CB -0.465 32.154 32.600 0.033 0.000 1.299 661 M HN -0.004 nan 8.290 nan 0.000 0.413 662 S N -0.050 115.664 115.700 0.023 0.000 2.500 662 S HA -0.089 4.380 4.470 -0.002 0.000 0.239 662 S C 0.602 175.167 174.600 -0.058 0.000 0.989 662 S CA 0.420 58.668 58.200 0.081 0.000 0.951 662 S CB -0.604 62.692 63.200 0.159 0.000 0.759 662 S HN 0.319 nan 8.310 nan 0.000 0.523 663 E N 2.762 122.829 120.200 -0.222 0.000 2.415 663 E HA -0.022 4.327 4.350 -0.002 0.000 0.260 663 E C -0.288 176.222 176.600 -0.150 0.000 1.016 663 E CA 0.240 56.451 56.400 -0.315 0.000 0.924 663 E CB -0.310 29.103 29.700 -0.478 0.000 0.961 663 E HN 0.117 nan 8.360 nan 0.000 0.459 664 D N 2.830 123.167 120.400 -0.105 0.000 2.798 664 D HA -0.134 4.505 4.640 -0.002 0.000 0.237 664 D C -0.563 175.722 176.300 -0.025 0.000 1.092 664 D CA 0.575 54.543 54.000 -0.055 0.000 0.727 664 D CB -0.509 40.257 40.800 -0.057 0.000 1.087 664 D HN 0.385 nan 8.370 nan 0.000 0.437 665 K N 0.019 120.419 120.400 -0.001 0.000 2.331 665 K HA 0.558 4.876 4.320 -0.002 0.000 0.238 665 K C -2.168 174.456 176.600 0.040 0.000 1.058 665 K CA -1.326 54.978 56.287 0.029 0.000 0.871 665 K CB 0.566 33.118 32.500 0.086 0.000 1.292 665 K HN -0.094 nan 8.250 nan 0.000 0.470 666 P HA -0.013 nan 4.420 nan 0.000 0.265 666 P C 0.251 177.589 177.300 0.064 0.000 1.187 666 P CA 0.263 63.390 63.100 0.046 0.000 0.766 666 P CB 0.655 32.380 31.700 0.042 0.000 0.820 667 Q N 1.331 121.157 119.800 0.043 0.000 2.585 667 Q HA -0.202 4.137 4.340 -0.002 0.000 0.219 667 Q C 1.328 177.357 176.000 0.049 0.000 0.984 667 Q CA 1.598 57.425 55.803 0.039 0.000 0.915 667 Q CB -0.576 28.178 28.738 0.027 0.000 0.967 667 Q HN 0.462 nan 8.270 nan 0.000 0.530 668 D N -1.548 118.893 120.400 0.069 0.000 2.154 668 D HA -0.162 4.477 4.640 -0.002 0.000 0.211 668 D C 1.436 177.805 176.300 0.116 0.000 0.977 668 D CA 0.867 54.915 54.000 0.080 0.000 0.869 668 D CB -0.444 40.405 40.800 0.081 0.000 1.022 668 D HN 0.322 nan 8.370 nan 0.000 0.461 669 Y N 2.070 122.375 120.300 0.009 0.000 2.097 669 Y HA -0.243 4.306 4.550 -0.002 0.000 0.282 669 Y C 2.109 178.020 175.900 0.019 0.000 1.152 669 Y CA 2.900 61.007 58.100 0.012 0.000 1.136 669 Y CB -0.555 37.909 38.460 0.006 0.000 0.975 669 Y HN 0.013 nan 8.280 nan 0.000 0.498 670 K N 0.199 120.612 120.400 0.022 0.000 2.281 670 K HA -0.196 4.122 4.320 -0.002 0.000 0.203 670 K C 1.773 178.341 176.600 -0.054 0.000 1.046 670 K CA 1.848 58.103 56.287 -0.054 0.000 0.938 670 K CB -0.391 32.121 32.500 0.019 0.000 0.737 670 K HN 0.128 nan 8.250 nan 0.000 0.458 671 K N 1.534 121.917 120.400 -0.029 0.000 2.044 671 K HA 0.034 4.353 4.320 -0.002 0.000 0.204 671 K C 2.205 178.774 176.600 -0.053 0.000 1.049 671 K CA 1.277 57.552 56.287 -0.020 0.000 0.945 671 K CB -0.209 32.293 32.500 0.003 0.000 0.724 671 K HN 0.259 nan 8.250 nan 0.000 0.440 672 R N 0.211 120.665 120.500 -0.077 0.000 2.237 672 R HA 0.016 4.355 4.340 -0.002 0.000 0.219 672 R C 2.122 178.326 176.300 -0.161 0.000 1.080 672 R CA 0.745 56.791 56.100 -0.090 0.000 0.995 672 R CB -0.171 30.094 30.300 -0.058 0.000 0.875 672 R HN 0.294 nan 8.270 nan 0.000 0.462 673 L N -0.320 120.752 121.223 -0.252 0.000 2.044 673 L HA -0.104 4.235 4.340 -0.002 0.000 0.205 673 L C 2.150 178.954 176.870 -0.109 0.000 1.075 673 L CA 1.600 56.283 54.840 -0.262 0.000 0.747 673 L CB -0.401 41.467 42.059 -0.317 0.000 0.903 673 L HN 0.259 nan 8.230 nan 0.000 0.435 674 S N -0.987 114.676 115.700 -0.062 0.000 2.419 674 S HA -0.131 4.338 4.470 -0.002 0.000 0.233 674 S C 1.780 176.351 174.600 -0.049 0.000 1.016 674 S CA 1.247 59.425 58.200 -0.035 0.000 0.974 674 S CB -0.097 63.096 63.200 -0.012 0.000 0.786 674 S HN 0.343 nan 8.310 nan 0.000 0.492 675 V N 1.392 121.276 119.914 -0.050 0.000 2.346 675 V HA -0.044 4.075 4.120 -0.002 0.000 0.244 675 V C 2.524 178.592 176.094 -0.042 0.000 1.037 675 V CA 1.858 64.134 62.300 -0.039 0.000 1.029 675 V CB -0.856 30.949 31.823 -0.030 0.000 0.663 675 V HN 0.489 nan 8.190 nan 0.000 0.454 676 E N 1.110 121.278 120.200 -0.053 0.000 2.136 676 E HA -0.259 4.090 4.350 -0.002 0.000 0.202 676 E C 1.912 178.477 176.600 -0.059 0.000 1.019 676 E CA 1.993 58.364 56.400 -0.048 0.000 0.819 676 E CB -0.570 29.090 29.700 -0.067 0.000 0.739 676 E HN 0.593 nan 8.360 nan 0.000 0.458 677 L N -0.507 120.675 121.223 -0.069 0.000 2.109 677 L HA -0.072 4.267 4.340 -0.002 0.000 0.207 677 L C 2.464 179.290 176.870 -0.074 0.000 1.086 677 L CA 1.583 56.374 54.840 -0.081 0.000 0.760 677 L CB -0.576 41.432 42.059 -0.084 0.000 0.910 677 L HN 0.139 nan 8.230 nan 0.000 0.437 678 T N -1.172 113.346 114.554 -0.060 0.000 2.942 678 T HA -0.067 4.281 4.350 -0.002 0.000 0.265 678 T C 2.133 176.813 174.700 -0.034 0.000 1.062 678 T CA 1.330 63.400 62.100 -0.050 0.000 1.139 678 T CB 0.083 68.925 68.868 -0.044 0.000 0.883 678 T HN 0.242 nan 8.240 nan 0.000 0.468 679 S N 1.622 117.306 115.700 -0.025 0.000 2.341 679 S HA -0.003 4.465 4.470 -0.002 0.000 0.216 679 S C 2.413 177.019 174.600 0.010 0.000 1.034 679 S CA 0.653 58.850 58.200 -0.005 0.000 0.964 679 S CB -0.368 62.834 63.200 0.003 0.000 0.882 679 S HN 0.359 nan 8.310 nan 0.000 0.469 680 S N 0.889 116.594 115.700 0.008 0.000 2.469 680 S HA 0.194 4.662 4.470 -0.002 0.000 0.238 680 S C 0.605 175.201 174.600 -0.007 0.000 0.998 680 S CA 1.086 59.311 58.200 0.042 0.000 0.957 680 S CB -0.660 62.513 63.200 -0.044 0.000 0.764 680 S HN 0.537 nan 8.310 nan 0.000 0.514 681 L N 0.000 121.198 121.223 -0.042 0.000 2.949 681 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 681 L CA 0.000 54.813 54.840 -0.045 0.000 0.813 681 L CB 0.000 42.008 42.059 -0.085 0.000 0.961 681 L HN 0.000 nan 8.230 nan 0.000 0.502