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 2okk_1_A DATA FIRST_RESID 88 DATA SEQUENCE NYAFLHATDL LPACDGERPT LAFLQDVMNI LLQYVVKSFD RSTKVIDFHY DATA SEQUENCE PNELLQEYNW ELADQPQNLE EILMHCQTTL KYAIKTGHPR YFNQLSTGLD DATA SEQUENCE MVGLAADWLT STANTNMFTY EIAPVFVLLE YVTLKKMREI IGWPGGSGDG DATA SEQUENCE IFSPGGAISN MYAMMIARFK MFPEVKEKGM AALPRLIAFT SEHSHFSLKK DATA SEQUENCE GAAALGIGTD SVILIKCDER GKMIPSDLER RILEAKQKGF VPFLVSATAG DATA SEQUENCE TTVYGAFDPL LAVADICKKY KIWMHVDAAW GGGLLMSRKH KWKLSGVERA DATA SEQUENCE NSVTWNPHXM MGVPLQCSAL LVREEGLMQN CNQMHXXXXX XXXXXXDLSY DATA SEQUENCE DTGDKALQCG RHVDVFKLWL MWRAKGTTGF EAHVDKCLEL AEYLYNIIKN DATA SEQUENCE REGYEMVFDG KPQHTNVCFW YIPPSLRTLE XXXERMSRLS KVAPVIKARM DATA SEQUENCE MEYGTTMVSY QPLGDKVNFF RMVISNPAAT HQDIDFLIEE IERLGQD 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 88 N HA 0.000 nan 4.740 nan 0.000 0.220 88 N C 0.000 175.385 175.510 -0.208 0.000 1.280 88 N CA 0.000 52.889 53.050 -0.269 0.000 0.885 88 N CB 0.000 38.188 38.487 -0.498 0.000 1.341 89 Y N 1.584 121.869 120.300 -0.025 0.000 2.333 89 Y HA -0.010 4.540 4.550 -0.000 0.000 0.290 89 Y C 2.278 178.121 175.900 -0.094 0.000 1.144 89 Y CA 1.173 59.249 58.100 -0.040 0.000 1.228 89 Y CB -0.164 38.305 38.460 0.015 0.000 0.985 89 Y HN 0.393 nan 8.280 nan 0.000 0.542 90 A N 0.153 123.002 122.820 0.048 0.000 2.019 90 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 90 A C 1.836 179.367 177.584 -0.088 0.000 1.164 90 A CA 1.698 53.724 52.037 -0.019 0.000 0.644 90 A CB -1.409 17.587 19.000 -0.006 0.000 0.805 90 A HN 0.485 nan 8.150 nan 0.000 0.449 91 F N -0.667 119.226 119.950 -0.095 0.000 2.708 91 F HA 0.705 5.232 4.527 -0.000 0.000 0.300 91 F C 0.191 175.900 175.800 -0.151 0.000 1.118 91 F CA -0.686 57.250 58.000 -0.106 0.000 1.307 91 F CB -0.456 38.513 39.000 -0.052 0.000 0.986 91 F HN 0.114 nan 8.300 nan 0.000 0.522 92 L N -0.368 120.717 121.223 -0.229 0.000 2.319 92 L HA 0.777 5.117 4.340 -0.000 0.000 0.267 92 L C -0.597 175.998 176.870 -0.458 0.000 1.011 92 L CA -1.184 53.533 54.840 -0.205 0.000 0.818 92 L CB 2.304 44.324 42.059 -0.065 0.000 1.316 92 L HN 0.471 nan 8.230 nan 0.000 0.432 93 H N -0.917 118.134 119.070 -0.032 0.000 2.960 93 H HA 0.409 4.965 4.556 -0.000 0.000 0.338 93 H C 0.363 175.629 175.328 -0.102 0.000 1.261 93 H CA -0.162 55.853 56.048 -0.055 0.000 1.136 93 H CB 1.735 31.476 29.762 -0.035 0.000 1.875 93 H HN 0.613 nan 8.280 nan 0.000 0.550 94 A N -0.187 122.653 122.820 0.033 0.000 1.933 94 A HA -0.176 4.143 4.320 -0.000 0.000 0.218 94 A C 1.991 179.555 177.584 -0.035 0.000 1.175 94 A CA 2.139 54.136 52.037 -0.068 0.000 0.628 94 A CB -1.337 17.634 19.000 -0.049 0.000 0.814 94 A HN 0.820 nan 8.150 nan 0.000 0.444 95 T N -2.188 112.371 114.554 0.009 0.000 3.025 95 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 95 T C 0.878 175.581 174.700 0.004 0.000 1.126 95 T CA 1.366 63.466 62.100 0.001 0.000 1.105 95 T CB -0.285 68.580 68.868 -0.005 0.000 0.884 95 T HN 0.408 nan 8.240 nan 0.000 0.522 96 D N 0.724 121.130 120.400 0.009 0.000 2.348 96 D HA 0.242 4.882 4.640 -0.000 0.000 0.211 96 D C 0.711 177.002 176.300 -0.015 0.000 0.998 96 D CA 0.134 54.135 54.000 0.002 0.000 0.873 96 D CB 0.109 40.914 40.800 0.009 0.000 0.925 96 D HN 0.435 nan 8.370 nan 0.000 0.524 97 L N 0.715 121.918 121.223 -0.035 0.000 2.439 97 L HA 0.261 4.600 4.340 -0.000 0.000 0.259 97 L C 0.626 177.489 176.870 -0.012 0.000 1.129 97 L CA -0.922 53.899 54.840 -0.033 0.000 0.803 97 L CB 0.992 43.003 42.059 -0.081 0.000 1.161 97 L HN -0.232 nan 8.230 nan 0.000 0.462 98 L N 2.834 124.059 121.223 0.003 0.000 2.628 98 L HA -0.057 4.283 4.340 -0.000 0.000 0.292 98 L C -1.143 175.729 176.870 0.004 0.000 1.250 98 L CA -0.677 54.168 54.840 0.008 0.000 0.892 98 L CB 0.040 42.109 42.059 0.018 0.000 1.138 98 L HN 0.553 nan 8.230 nan 0.000 0.502 99 P HA 0.096 nan 4.420 nan 0.000 0.255 99 P C 0.031 177.333 177.300 0.002 0.000 1.357 99 P CA -0.085 63.018 63.100 0.004 0.000 0.839 99 P CB 0.240 31.942 31.700 0.004 0.000 1.356 100 A N -0.323 122.497 122.820 -0.000 0.000 2.483 100 A HA 0.073 4.392 4.320 -0.000 0.000 0.238 100 A C 1.679 179.264 177.584 0.001 0.000 1.070 100 A CA -0.236 51.801 52.037 -0.001 0.000 0.770 100 A CB -0.228 18.770 19.000 -0.002 0.000 1.008 100 A HN 0.280 nan 8.150 nan 0.000 0.497 101 C N 0.811 120.112 119.300 0.001 0.000 2.429 101 C HA 0.019 4.479 4.460 -0.000 0.000 0.277 101 C C 2.129 177.120 174.990 0.001 0.000 1.262 101 C CA 1.436 60.455 59.018 0.001 0.000 1.733 101 C CB -1.201 26.539 27.740 0.000 0.000 2.010 101 C HN 0.921 nan 8.230 nan 0.000 0.483 102 D N -0.452 119.948 120.400 0.000 0.000 3.085 102 D HA 0.454 5.094 4.640 -0.000 0.000 0.243 102 D C 1.137 177.437 176.300 0.000 0.000 1.232 102 D CA 0.674 54.673 54.000 -0.001 0.000 0.913 102 D CB -0.613 40.186 40.800 -0.003 0.000 1.108 102 D HN 0.654 nan 8.370 nan 0.000 0.468 103 G N -0.780 108.022 108.800 0.003 0.000 2.759 103 G HA2 0.095 4.055 3.960 -0.000 0.000 0.208 103 G HA3 0.095 4.055 3.960 -0.000 0.000 0.208 103 G C 1.197 176.106 174.900 0.015 0.000 1.076 103 G CA 0.624 45.728 45.100 0.006 0.000 0.789 103 G HN 0.481 nan 8.290 nan 0.000 0.546 104 E N 0.804 121.013 120.200 0.014 0.000 2.051 104 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 104 E C 2.902 179.518 176.600 0.026 0.000 0.991 104 E CA 1.520 57.933 56.400 0.020 0.000 0.799 104 E CB -0.047 29.662 29.700 0.015 0.000 0.748 104 E HN 0.324 nan 8.360 nan 0.000 0.449 105 R N 0.798 121.309 120.500 0.018 0.000 2.070 105 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 105 R C -0.037 176.280 176.300 0.029 0.000 1.137 105 R CA 1.796 57.906 56.100 0.016 0.000 0.945 105 R CB -2.476 27.824 30.300 0.001 0.000 0.845 105 R HN 0.402 nan 8.270 nan 0.000 0.430 106 P HA -0.092 nan 4.420 nan 0.000 0.222 106 P C 0.850 178.231 177.300 0.135 0.000 1.147 106 P CA 1.341 64.472 63.100 0.051 0.000 0.790 106 P CB -0.083 31.626 31.700 0.015 0.000 0.780 107 T N 0.543 115.161 114.554 0.106 0.000 2.770 107 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 107 T C 1.948 176.746 174.700 0.164 0.000 1.039 107 T CA 0.890 63.078 62.100 0.146 0.000 1.142 107 T CB -0.760 68.159 68.868 0.086 0.000 0.868 107 T HN 0.052 nan 8.240 nan 0.000 0.435 108 L N 0.820 122.105 121.223 0.102 0.000 2.079 108 L HA -0.097 4.242 4.340 -0.000 0.000 0.210 108 L C 2.942 179.866 176.870 0.089 0.000 1.081 108 L CA 1.184 56.069 54.840 0.074 0.000 0.752 108 L CB -0.576 41.511 42.059 0.046 0.000 0.896 108 L HN 0.249 nan 8.230 nan 0.000 0.433 109 A N -0.401 122.499 122.820 0.132 0.000 1.872 109 A HA -0.207 4.113 4.320 -0.000 0.000 0.214 109 A C 2.135 179.888 177.584 0.282 0.000 1.187 109 A CA 1.127 53.266 52.037 0.170 0.000 0.614 109 A CB -0.688 18.390 19.000 0.130 0.000 0.826 109 A HN 0.380 nan 8.150 nan 0.000 0.442 110 F N 0.811 120.888 119.950 0.211 0.000 2.113 110 F HA -0.093 4.435 4.527 0.000 0.000 0.297 110 F C 1.862 177.656 175.800 -0.009 0.000 1.103 110 F CA 1.653 59.739 58.000 0.143 0.000 1.248 110 F CB -0.314 38.770 39.000 0.139 0.000 0.999 110 F HN 0.117 nan 8.300 nan 0.000 0.475 111 L N -0.003 121.193 121.223 -0.044 0.000 2.083 111 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 111 L C 2.608 179.337 176.870 -0.234 0.000 1.083 111 L CA 1.243 55.960 54.840 -0.205 0.000 0.752 111 L CB -0.823 41.213 42.059 -0.038 0.000 0.899 111 L HN 0.273 nan 8.230 nan 0.000 0.433 112 Q N 0.088 119.817 119.800 -0.119 0.000 2.172 112 Q HA -0.198 4.141 4.340 -0.000 0.000 0.200 112 Q C 1.566 177.487 176.000 -0.132 0.000 0.964 112 Q CA 1.559 57.300 55.803 -0.104 0.000 0.855 112 Q CB 0.030 28.749 28.738 -0.031 0.000 0.918 112 Q HN 0.502 nan 8.270 nan 0.000 0.444 113 D N -0.865 119.446 120.400 -0.150 0.000 2.144 113 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 113 D C 1.926 178.054 176.300 -0.286 0.000 0.978 113 D CA 0.847 54.740 54.000 -0.179 0.000 0.833 113 D CB 0.299 40.998 40.800 -0.169 0.000 0.961 113 D HN 0.021 nan 8.370 nan 0.000 0.470 114 V N 0.533 120.180 119.914 -0.444 0.000 2.295 114 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 114 V C 2.223 178.143 176.094 -0.289 0.000 1.049 114 V CA 1.435 63.483 62.300 -0.420 0.000 1.024 114 V CB -0.442 31.053 31.823 -0.546 0.000 0.648 114 V HN 0.266 nan 8.190 nan 0.000 0.447 115 M N 1.228 120.655 119.600 -0.288 0.000 2.108 115 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 115 M C 1.796 178.022 176.300 -0.123 0.000 1.066 115 M CA 1.846 56.994 55.300 -0.253 0.000 1.107 115 M CB -1.317 31.128 32.600 -0.259 0.000 1.356 115 M HN 0.451 nan 8.290 nan 0.000 0.406 116 N N -0.257 118.384 118.700 -0.099 0.000 2.069 116 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 116 N C 1.757 177.251 175.510 -0.026 0.000 1.031 116 N CA 1.773 54.797 53.050 -0.043 0.000 0.852 116 N CB -0.360 38.103 38.487 -0.040 0.000 1.018 116 N HN 0.401 nan 8.380 nan 0.000 0.423 117 I N 1.278 121.810 120.570 -0.064 0.000 2.163 117 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 117 I C 2.061 178.186 176.117 0.013 0.000 1.085 117 I CA 1.125 62.401 61.300 -0.041 0.000 1.347 117 I CB -0.325 37.618 38.000 -0.095 0.000 1.044 117 I HN 0.162 nan 8.210 nan 0.000 0.408 118 L N -0.445 120.773 121.223 -0.009 0.000 2.046 118 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 118 L C 2.559 179.552 176.870 0.205 0.000 1.077 118 L CA 0.911 55.798 54.840 0.080 0.000 0.747 118 L CB -0.591 41.497 42.059 0.048 0.000 0.896 118 L HN 0.245 nan 8.230 nan 0.000 0.432 119 L N -0.033 121.285 121.223 0.157 0.000 2.017 119 L HA -0.243 4.096 4.340 -0.000 0.000 0.208 119 L C 2.679 179.639 176.870 0.150 0.000 1.073 119 L CA 1.745 56.689 54.840 0.173 0.000 0.745 119 L CB -1.021 41.109 42.059 0.118 0.000 0.894 119 L HN 0.342 nan 8.230 nan 0.000 0.432 120 Q N -1.592 118.277 119.800 0.115 0.000 2.084 120 Q HA -0.292 4.048 4.340 -0.000 0.000 0.202 120 Q C 2.383 178.455 176.000 0.121 0.000 0.978 120 Q CA 1.977 57.837 55.803 0.094 0.000 0.844 120 Q CB -0.423 28.353 28.738 0.063 0.000 0.898 120 Q HN 0.561 nan 8.270 nan 0.000 0.426 121 Y N -0.095 120.219 120.300 0.025 0.000 2.224 121 Y HA -0.184 4.366 4.550 -0.001 0.000 0.289 121 Y C 1.850 177.764 175.900 0.024 0.000 1.146 121 Y CA 1.380 59.486 58.100 0.010 0.000 1.182 121 Y CB -0.055 38.404 38.460 -0.001 0.000 0.983 121 Y HN -0.012 nan 8.280 nan 0.000 0.524 122 V N 0.238 120.290 119.914 0.230 0.000 2.261 122 V HA -0.328 3.791 4.120 -0.000 0.000 0.246 122 V C 2.614 178.818 176.094 0.183 0.000 1.047 122 V CA 2.018 64.436 62.300 0.197 0.000 1.015 122 V CB -0.987 31.011 31.823 0.292 0.000 0.642 122 V HN 0.555 nan 8.190 nan 0.000 0.446 123 V N -1.295 118.722 119.914 0.173 0.000 2.407 123 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 123 V C 2.371 178.526 176.094 0.101 0.000 1.055 123 V CA 2.339 64.745 62.300 0.177 0.000 1.049 123 V CB -1.113 30.765 31.823 0.092 0.000 0.662 123 V HN 0.416 nan 8.190 nan 0.000 0.455 124 K N 0.251 120.639 120.400 -0.020 0.000 2.147 124 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 124 K C 2.598 179.086 176.600 -0.187 0.000 1.049 124 K CA 1.554 57.786 56.287 -0.091 0.000 0.936 124 K CB -1.043 31.390 32.500 -0.113 0.000 0.722 124 K HN 0.775 nan 8.250 nan 0.000 0.446 125 S N 0.209 115.692 115.700 -0.362 0.000 2.402 125 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 125 S C 1.477 175.705 174.600 -0.620 0.000 1.030 125 S CA 1.535 59.401 58.200 -0.557 0.000 1.003 125 S CB -0.355 62.368 63.200 -0.796 0.000 0.813 125 S HN 0.477 nan 8.310 nan 0.000 0.477 126 F N 0.941 120.769 119.950 -0.204 0.000 2.754 126 F HA 0.245 4.772 4.527 0.001 0.000 0.297 126 F C 0.960 176.621 175.800 -0.232 0.000 1.122 126 F CA -0.375 57.495 58.000 -0.216 0.000 1.400 126 F CB 0.089 39.005 39.000 -0.141 0.000 1.117 126 F HN 0.012 nan 8.300 nan 0.000 0.587 127 D N 1.060 121.421 120.400 -0.064 0.000 2.339 127 D HA 0.065 4.705 4.640 -0.000 0.000 0.256 127 D C 1.216 177.437 176.300 -0.132 0.000 1.214 127 D CA 0.099 54.059 54.000 -0.067 0.000 0.877 127 D CB 0.767 41.550 40.800 -0.029 0.000 1.111 127 D HN 0.152 nan 8.370 nan 0.000 0.478 128 R N 1.421 121.842 120.500 -0.132 0.000 2.285 128 R HA -0.086 4.253 4.340 -0.000 0.000 0.213 128 R C 2.009 178.302 176.300 -0.012 0.000 1.068 128 R CA 0.789 56.813 56.100 -0.127 0.000 1.004 128 R CB 0.142 30.361 30.300 -0.136 0.000 0.873 128 R HN 0.402 nan 8.270 nan 0.000 0.467 129 S N -0.537 115.161 115.700 -0.003 0.000 2.489 129 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 129 S C 0.749 175.372 174.600 0.038 0.000 0.995 129 S CA 0.123 58.332 58.200 0.015 0.000 0.934 129 S CB 0.082 63.287 63.200 0.009 0.000 0.771 129 S HN 0.001 nan 8.310 nan 0.000 0.522 130 T N 3.378 117.970 114.554 0.064 0.000 2.916 130 T HA 0.283 4.633 4.350 -0.000 0.000 0.303 130 T C -0.108 174.617 174.700 0.042 0.000 1.025 130 T CA -0.167 61.968 62.100 0.058 0.000 1.142 130 T CB 0.556 69.449 68.868 0.041 0.000 0.947 130 T HN 0.109 nan 8.240 nan 0.000 0.544 131 K N 2.360 122.741 120.400 -0.031 0.000 2.350 131 K HA 0.185 4.505 4.320 -0.000 0.000 0.279 131 K C 1.114 177.577 176.600 -0.228 0.000 1.027 131 K CA -0.403 55.825 56.287 -0.098 0.000 0.969 131 K CB 0.376 32.866 32.500 -0.017 0.000 0.954 131 K HN 0.315 nan 8.250 nan 0.000 0.474 132 V N 2.963 122.640 119.914 -0.396 0.000 2.407 132 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 132 V C 1.076 177.090 176.094 -0.135 0.000 1.055 132 V CA 1.271 63.333 62.300 -0.397 0.000 1.049 132 V CB -0.383 31.256 31.823 -0.307 0.000 0.662 132 V HN 0.699 nan 8.190 nan 0.000 0.455 133 I N -0.319 120.224 120.570 -0.044 0.000 2.607 133 I HA 0.376 4.545 4.170 -0.000 0.000 0.290 133 I C -1.688 174.482 176.117 0.087 0.000 1.129 133 I CA -0.709 60.621 61.300 0.050 0.000 1.042 133 I CB 2.230 40.287 38.000 0.095 0.000 1.242 133 I HN -0.027 nan 8.210 nan 0.000 0.421 134 D N 7.308 127.793 120.400 0.142 0.000 2.500 134 D HA 0.159 4.799 4.640 -0.000 0.000 0.219 134 D C -0.913 175.488 176.300 0.169 0.000 1.137 134 D CA -0.093 54.008 54.000 0.168 0.000 0.946 134 D CB 0.165 41.121 40.800 0.260 0.000 1.022 134 D HN 0.287 nan 8.370 nan 0.000 0.518 135 F N 4.696 124.567 119.950 -0.131 0.000 2.456 135 F HA 0.287 4.814 4.527 -0.000 0.000 0.358 135 F C -0.332 175.191 175.800 -0.462 0.000 1.095 135 F CA -0.008 57.871 58.000 -0.202 0.000 1.216 135 F CB 0.391 39.267 39.000 -0.208 0.000 1.125 135 F HN 0.311 nan 8.300 nan 0.000 0.549 136 H N 5.176 123.607 119.070 -1.066 0.000 2.806 136 H HA 0.182 4.737 4.556 -0.000 0.000 0.367 136 H C -1.041 173.590 175.328 -1.162 0.000 1.136 136 H CA -0.633 54.851 56.048 -0.940 0.000 1.178 136 H CB 1.315 30.809 29.762 -0.446 0.000 1.718 136 H HN 0.506 nan 8.280 nan 0.000 0.540 137 Y N 1.843 121.798 120.300 -0.575 0.000 2.480 137 Y HA -0.004 4.546 4.550 0.000 0.000 0.338 137 Y C -1.155 174.647 175.900 -0.163 0.000 1.220 137 Y CA -1.367 56.557 58.100 -0.294 0.000 1.430 137 Y CB -0.077 38.304 38.460 -0.131 0.000 1.311 137 Y HN 0.514 nan 8.280 nan 0.000 0.575 138 P HA -0.269 nan 4.420 nan 0.000 0.216 138 P C 1.423 178.730 177.300 0.012 0.000 1.157 138 P CA 2.705 65.808 63.100 0.005 0.000 0.880 138 P CB -0.034 31.680 31.700 0.024 0.000 0.791 139 N N -0.197 118.528 118.700 0.042 0.000 2.120 139 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 139 N C 1.860 177.392 175.510 0.036 0.000 1.024 139 N CA 1.849 54.918 53.050 0.032 0.000 0.852 139 N CB -1.419 37.079 38.487 0.018 0.000 1.003 139 N HN 0.353 nan 8.380 nan 0.000 0.424 140 E N -0.506 119.727 120.200 0.055 0.000 2.077 140 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 140 E C 2.040 178.623 176.600 -0.029 0.000 0.989 140 E CA 0.779 57.209 56.400 0.049 0.000 0.800 140 E CB -0.037 29.737 29.700 0.123 0.000 0.746 140 E HN 0.454 nan 8.360 nan 0.000 0.452 141 L N 0.704 121.879 121.223 -0.079 0.000 2.056 141 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 141 L C 2.163 179.106 176.870 0.122 0.000 1.078 141 L CA 1.337 56.084 54.840 -0.156 0.000 0.749 141 L CB -0.494 41.424 42.059 -0.234 0.000 0.901 141 L HN 0.279 nan 8.230 nan 0.000 0.433 142 L N -0.545 120.748 121.223 0.116 0.000 2.042 142 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 142 L C 2.640 179.603 176.870 0.154 0.000 1.076 142 L CA 1.463 56.431 54.840 0.213 0.000 0.749 142 L CB -0.316 41.808 42.059 0.108 0.000 0.893 142 L HN 0.372 nan 8.230 nan 0.000 0.432 143 Q N -0.928 118.915 119.800 0.072 0.000 2.311 143 Q HA -0.204 4.136 4.340 -0.000 0.000 0.203 143 Q C 1.926 177.937 176.000 0.020 0.000 0.954 143 Q CA 0.782 56.606 55.803 0.034 0.000 0.885 143 Q CB 0.113 28.865 28.738 0.024 0.000 0.963 143 Q HN 0.325 nan 8.270 nan 0.000 0.471 144 E N -0.316 119.897 120.200 0.023 0.000 2.208 144 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 144 E C -0.699 175.942 176.600 0.070 0.000 0.988 144 E CA 0.753 57.159 56.400 0.010 0.000 0.828 144 E CB 0.316 29.936 29.700 -0.133 0.000 0.763 144 E HN 0.176 nan 8.360 nan 0.000 0.478 145 Y N -0.825 119.353 120.300 -0.203 0.000 2.552 145 Y HA 0.328 4.878 4.550 0.000 0.000 0.337 145 Y C -1.417 174.124 175.900 -0.598 0.000 1.094 145 Y CA -1.706 56.110 58.100 -0.474 0.000 1.028 145 Y CB 1.094 39.064 38.460 -0.817 0.000 1.321 145 Y HN -0.208 nan 8.280 nan 0.000 0.456 146 N N 3.362 121.520 118.700 -0.904 0.000 2.401 146 N HA 0.103 4.843 4.740 -0.000 0.000 0.255 146 N C -0.781 174.392 175.510 -0.562 0.000 1.110 146 N CA 0.037 52.744 53.050 -0.572 0.000 0.949 146 N CB 0.272 38.504 38.487 -0.424 0.000 1.110 146 N HN 0.673 nan 8.380 nan 0.000 0.490 147 W N 1.499 122.769 121.300 -0.050 0.000 3.127 147 W HA 0.294 4.954 4.660 -0.000 0.000 0.344 147 W C 0.456 176.942 176.519 -0.055 0.000 1.151 147 W CA -0.553 56.783 57.345 -0.016 0.000 1.765 147 W CB 0.324 29.801 29.460 0.028 0.000 1.085 147 W HN 0.274 nan 8.180 nan 0.000 0.596 148 E N 1.282 121.540 120.200 0.095 0.000 2.408 148 E HA 0.208 4.558 4.350 -0.000 0.000 0.259 148 E C -0.157 176.454 176.600 0.017 0.000 1.110 148 E CA 0.075 56.505 56.400 0.049 0.000 0.929 148 E CB 1.242 30.951 29.700 0.015 0.000 0.971 148 E HN 0.056 nan 8.360 nan 0.000 0.438 149 L N 0.616 121.848 121.223 0.015 0.000 2.344 149 L HA 0.594 4.934 4.340 -0.000 0.000 0.272 149 L C 0.045 176.915 176.870 0.001 0.000 1.035 149 L CA -0.608 54.236 54.840 0.006 0.000 0.807 149 L CB 1.574 43.638 42.059 0.009 0.000 1.237 149 L HN 0.521 nan 8.230 nan 0.000 0.442 150 A N 1.099 123.919 122.820 0.001 0.000 2.479 150 A HA 0.394 4.714 4.320 -0.000 0.000 0.296 150 A C 0.019 177.603 177.584 -0.001 0.000 1.121 150 A CA -0.469 51.568 52.037 -0.001 0.000 0.743 150 A CB 1.457 20.457 19.000 -0.000 0.000 1.323 150 A HN 0.647 nan 8.150 nan 0.000 0.415 151 D N -0.646 119.752 120.400 -0.005 0.000 2.149 151 D HA 0.212 4.852 4.640 -0.000 0.000 0.201 151 D C 1.252 177.546 176.300 -0.011 0.000 0.972 151 D CA 1.840 55.836 54.000 -0.008 0.000 0.835 151 D CB -0.144 40.650 40.800 -0.010 0.000 0.966 151 D HN 1.063 nan 8.370 nan 0.000 0.476 152 Q N 0.980 120.773 119.800 -0.011 0.000 2.214 152 Q HA 0.544 4.883 4.340 -0.000 0.000 0.251 152 Q C -2.486 173.509 176.000 -0.008 0.000 0.936 152 Q CA -1.738 54.053 55.803 -0.019 0.000 0.894 152 Q CB -0.306 28.419 28.738 -0.021 0.000 1.252 152 Q HN 0.265 nan 8.270 nan 0.000 0.448 153 P HA 0.265 nan 4.420 nan 0.000 0.278 153 P C -0.965 176.384 177.300 0.082 0.000 1.238 153 P CA -0.316 62.791 63.100 0.012 0.000 0.794 153 P CB 0.977 32.650 31.700 -0.044 0.000 0.955 154 Q N 0.934 120.815 119.800 0.135 0.000 2.214 154 Q HA 0.217 4.557 4.340 -0.000 0.000 0.251 154 Q C 0.672 176.800 176.000 0.213 0.000 0.936 154 Q CA -0.772 55.129 55.803 0.162 0.000 0.894 154 Q CB 1.347 30.171 28.738 0.143 0.000 1.252 154 Q HN 0.530 nan 8.270 nan 0.000 0.448 155 N N 1.310 120.070 118.700 0.100 0.000 2.354 155 N HA 0.019 4.758 4.740 -0.000 0.000 0.246 155 N C 0.583 176.055 175.510 -0.062 0.000 1.285 155 N CA -0.226 52.736 53.050 -0.147 0.000 0.925 155 N CB 0.932 39.241 38.487 -0.296 0.000 1.174 155 N HN 0.518 nan 8.380 nan 0.000 0.478 156 L N -0.575 120.598 121.223 -0.083 0.000 2.275 156 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 156 L C 2.549 179.429 176.870 0.017 0.000 1.119 156 L CA 1.050 55.882 54.840 -0.012 0.000 0.790 156 L CB -0.520 41.543 42.059 0.007 0.000 0.919 156 L HN 0.725 nan 8.230 nan 0.000 0.443 157 E N 1.165 121.388 120.200 0.040 0.000 2.077 157 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 157 E C 1.889 178.448 176.600 -0.068 0.000 0.989 157 E CA 1.566 57.972 56.400 0.010 0.000 0.800 157 E CB 0.001 29.733 29.700 0.054 0.000 0.746 157 E HN 0.440 nan 8.360 nan 0.000 0.452 158 E N -0.331 119.816 120.200 -0.088 0.000 2.204 158 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 158 E C 1.805 178.200 176.600 -0.341 0.000 0.989 158 E CA 0.722 56.992 56.400 -0.217 0.000 0.824 158 E CB -0.011 29.602 29.700 -0.144 0.000 0.756 158 E HN 0.323 nan 8.360 nan 0.000 0.477 159 I N 0.640 121.177 120.570 -0.056 0.000 2.333 159 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 159 I C 2.221 178.390 176.117 0.086 0.000 1.106 159 I CA 1.105 62.483 61.300 0.131 0.000 1.411 159 I CB -0.815 37.300 38.000 0.193 0.000 1.082 159 I HN 0.168 nan 8.210 nan 0.000 0.420 160 L N -0.594 120.629 121.223 -0.001 0.000 2.131 160 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 160 L C 2.605 179.422 176.870 -0.088 0.000 1.092 160 L CA 0.918 55.702 54.840 -0.093 0.000 0.759 160 L CB -0.425 41.502 42.059 -0.220 0.000 0.903 160 L HN 0.205 nan 8.230 nan 0.000 0.435 161 M N -0.798 118.734 119.600 -0.113 0.000 2.175 161 M HA -0.177 4.303 4.480 -0.000 0.000 0.264 161 M C 2.227 178.500 176.300 -0.045 0.000 1.063 161 M CA 1.812 57.049 55.300 -0.105 0.000 1.119 161 M CB -0.862 31.662 32.600 -0.126 0.000 1.377 161 M HN 0.327 nan 8.290 nan 0.000 0.415 162 H N -1.520 117.595 119.070 0.076 0.000 2.352 162 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 162 H C 2.301 177.668 175.328 0.064 0.000 1.097 162 H CA 1.635 57.753 56.048 0.117 0.000 1.311 162 H CB -0.046 29.820 29.762 0.173 0.000 1.377 162 H HN 0.399 nan 8.280 nan 0.000 0.504 163 C N 0.284 119.665 119.300 0.136 0.000 2.429 163 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 163 C C 2.680 177.652 174.990 -0.030 0.000 1.262 163 C CA 0.938 59.973 59.018 0.028 0.000 1.733 163 C CB -0.689 27.025 27.740 -0.042 0.000 2.010 163 C HN 0.619 nan 8.230 nan 0.000 0.483 164 Q N 0.284 120.053 119.800 -0.052 0.000 2.046 164 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 164 Q C 2.228 178.159 176.000 -0.115 0.000 0.975 164 Q CA 1.983 57.736 55.803 -0.082 0.000 0.836 164 Q CB -0.152 28.535 28.738 -0.085 0.000 0.896 164 Q HN 0.673 nan 8.270 nan 0.000 0.428 165 T N 0.070 114.537 114.554 -0.145 0.000 2.788 165 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 165 T C 1.796 176.489 174.700 -0.012 0.000 1.044 165 T CA 1.678 63.636 62.100 -0.238 0.000 1.139 165 T CB -0.401 68.093 68.868 -0.623 0.000 0.867 165 T HN 0.340 nan 8.240 nan 0.000 0.454 166 T N 2.382 116.996 114.554 0.101 0.000 2.737 166 T HA 0.074 4.424 4.350 -0.000 0.000 0.265 166 T C 1.975 176.678 174.700 0.005 0.000 1.038 166 T CA 0.862 63.043 62.100 0.136 0.000 1.144 166 T CB -0.422 68.508 68.868 0.103 0.000 0.866 166 T HN 0.261 nan 8.240 nan 0.000 0.434 167 L N 0.704 121.877 121.223 -0.085 0.000 2.141 167 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 167 L C 2.663 179.535 176.870 0.003 0.000 1.094 167 L CA 1.041 55.795 54.840 -0.144 0.000 0.763 167 L CB -0.465 41.415 42.059 -0.298 0.000 0.908 167 L HN 0.213 nan 8.230 nan 0.000 0.437 168 K N 0.211 120.541 120.400 -0.115 0.000 2.044 168 K HA -0.230 4.089 4.320 -0.000 0.000 0.210 168 K C 1.760 178.201 176.600 -0.265 0.000 1.049 168 K CA 1.964 58.086 56.287 -0.277 0.000 0.927 168 K CB -0.131 32.007 32.500 -0.603 0.000 0.713 168 K HN 0.231 nan 8.250 nan 0.000 0.443 169 Y N -0.123 120.214 120.300 0.062 0.000 2.457 169 Y HA 0.324 4.874 4.550 -0.000 0.000 0.263 169 Y C 0.630 176.557 175.900 0.046 0.000 1.164 169 Y CA -0.186 57.955 58.100 0.068 0.000 1.274 169 Y CB -0.052 38.434 38.460 0.044 0.000 1.097 169 Y HN 0.029 nan 8.280 nan 0.000 0.523 170 A N 1.197 124.099 122.820 0.137 0.000 2.498 170 A HA 0.259 4.578 4.320 -0.000 0.000 0.239 170 A C 0.311 177.950 177.584 0.092 0.000 1.068 170 A CA -0.435 51.653 52.037 0.084 0.000 0.766 170 A CB -0.163 18.858 19.000 0.034 0.000 1.003 170 A HN 0.145 nan 8.150 nan 0.000 0.497 171 I N 1.984 122.570 120.570 0.027 0.000 2.692 171 I HA 0.042 4.212 4.170 -0.000 0.000 0.284 171 I C 0.562 176.611 176.117 -0.113 0.000 1.159 171 I CA 0.205 61.471 61.300 -0.057 0.000 1.423 171 I CB 0.159 38.086 38.000 -0.123 0.000 1.380 171 I HN 0.508 nan 8.210 nan 0.000 0.580 172 K N 5.296 125.582 120.400 -0.190 0.000 2.307 172 K HA 0.113 4.433 4.320 -0.000 0.000 0.240 172 K C 1.212 177.568 176.600 -0.407 0.000 1.214 172 K CA -0.070 56.079 56.287 -0.230 0.000 1.149 172 K CB -0.419 31.950 32.500 -0.219 0.000 1.668 172 K HN 0.695 nan 8.250 nan 0.000 0.314 173 T N -2.622 111.624 114.554 -0.513 0.000 2.996 173 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 173 T C 1.687 176.217 174.700 -0.282 0.000 1.126 173 T CA 1.199 62.867 62.100 -0.720 0.000 1.103 173 T CB 0.044 68.660 68.868 -0.420 0.000 0.870 173 T HN 0.440 nan 8.240 nan 0.000 0.528 174 G N -0.377 108.273 108.800 -0.251 0.000 2.887 174 G HA2 0.046 4.006 3.960 -0.000 0.000 0.211 174 G HA3 0.046 4.006 3.960 -0.000 0.000 0.211 174 G C 0.452 175.168 174.900 -0.306 0.000 1.152 174 G CA -0.476 44.466 45.100 -0.263 0.000 0.769 174 G HN 0.618 nan 8.290 nan 0.000 0.541 175 H N 1.507 120.371 119.070 -0.345 0.000 3.064 175 H HA 0.015 4.572 4.556 0.001 0.000 0.329 175 H C -1.359 173.843 175.328 -0.211 0.000 1.020 175 H CA -0.758 55.118 56.048 -0.288 0.000 1.402 175 H CB 1.717 31.345 29.762 -0.224 0.000 1.379 175 H HN -0.040 nan 8.280 nan 0.000 0.594 176 P HA -0.119 nan 4.420 nan 0.000 0.218 176 P C 0.593 177.762 177.300 -0.219 0.000 1.146 176 P CA 1.701 64.687 63.100 -0.190 0.000 0.813 176 P CB 0.172 31.748 31.700 -0.206 0.000 0.778 177 R N -3.086 117.411 120.500 -0.005 0.000 2.507 177 R HA 0.148 4.488 4.340 -0.000 0.000 0.298 177 R C -0.065 175.962 176.300 -0.455 0.000 0.999 177 R CA -0.436 55.506 56.100 -0.263 0.000 1.082 177 R CB -0.129 30.214 30.300 0.072 0.000 1.246 177 R HN 0.167 nan 8.270 nan 0.000 0.553 178 Y N 0.362 120.352 120.300 -0.517 0.000 2.486 178 Y HA 0.132 4.680 4.550 -0.002 0.000 0.348 178 Y C -0.247 175.354 175.900 -0.500 0.000 1.000 178 Y CA -0.365 57.515 58.100 -0.366 0.000 1.253 178 Y CB 0.137 38.489 38.460 -0.178 0.000 1.140 178 Y HN -0.002 nan 8.280 nan 0.000 0.526 179 F N 4.003 123.729 119.950 -0.374 0.000 2.791 179 F HA 0.201 4.726 4.527 -0.003 0.000 0.316 179 F C 1.237 176.815 175.800 -0.370 0.000 1.134 179 F CA -0.340 57.507 58.000 -0.255 0.000 1.222 179 F CB 0.153 39.124 39.000 -0.048 0.000 1.034 179 F HN 0.423 nan 8.300 nan 0.000 0.516 180 N N -0.056 118.256 118.700 -0.646 0.000 2.376 180 N HA -0.014 4.725 4.740 -0.000 0.000 0.177 180 N C 0.532 175.902 175.510 -0.233 0.000 1.024 180 N CA 0.972 53.787 53.050 -0.392 0.000 0.893 180 N CB 0.350 38.586 38.487 -0.418 0.000 0.980 180 N HN 0.127 nan 8.380 nan 0.000 0.439 181 Q N -0.949 118.711 119.800 -0.234 0.000 2.605 181 Q HA 0.201 4.541 4.340 -0.000 0.000 0.296 181 Q C 0.360 176.279 176.000 -0.135 0.000 1.056 181 Q CA -0.719 55.013 55.803 -0.119 0.000 0.778 181 Q CB 0.653 29.393 28.738 0.004 0.000 1.497 181 Q HN -0.052 nan 8.270 nan 0.000 0.443 182 L N 0.426 121.510 121.223 -0.231 0.000 2.109 182 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 182 L C 0.626 177.477 176.870 -0.030 0.000 1.086 182 L CA 1.518 56.102 54.840 -0.426 0.000 0.760 182 L CB -0.366 41.232 42.059 -0.768 0.000 0.910 182 L HN 0.402 nan 8.230 nan 0.000 0.437 183 S N 0.103 115.850 115.700 0.078 0.000 2.400 183 S HA 0.423 4.893 4.470 -0.000 0.000 0.295 183 S C 0.326 175.059 174.600 0.221 0.000 1.113 183 S CA -0.426 57.894 58.200 0.200 0.000 1.064 183 S CB 0.068 63.395 63.200 0.211 0.000 0.990 183 S HN 0.450 nan 8.310 nan 0.000 0.502 184 T N -0.222 114.480 114.554 0.247 0.000 2.906 184 T HA 0.908 5.258 4.350 -0.000 0.000 0.295 184 T C -0.024 174.799 174.700 0.204 0.000 1.061 184 T CA -0.398 61.870 62.100 0.281 0.000 1.000 184 T CB 1.793 70.831 68.868 0.283 0.000 1.103 184 T HN 1.125 nan 8.240 nan 0.000 0.486 185 G N 0.100 108.982 108.800 0.138 0.000 2.515 185 G HA2 0.349 4.309 3.960 -0.000 0.000 0.686 185 G HA3 0.349 4.309 3.960 -0.000 0.000 0.686 185 G C -1.787 173.133 174.900 0.034 0.000 1.274 185 G CA -0.565 44.583 45.100 0.079 0.000 0.874 185 G HN 1.462 nan 8.290 nan 0.000 0.631 186 L N 1.334 122.574 121.223 0.029 0.000 2.471 186 L HA 0.549 4.889 4.340 -0.000 0.000 0.263 186 L C -0.392 176.540 176.870 0.102 0.000 0.985 186 L CA -0.761 54.101 54.840 0.037 0.000 0.868 186 L CB 1.509 43.555 42.059 -0.022 0.000 1.203 186 L HN 0.723 nan 8.230 nan 0.000 0.429 187 D N 4.651 125.072 120.400 0.034 0.000 2.317 187 D HA 0.107 4.747 4.640 -0.000 0.000 0.252 187 D C 1.032 177.300 176.300 -0.053 0.000 1.174 187 D CA -0.396 53.601 54.000 -0.006 0.000 0.866 187 D CB 1.189 41.971 40.800 -0.030 0.000 1.127 187 D HN 0.495 nan 8.370 nan 0.000 0.467 188 M N 3.250 122.812 119.600 -0.064 0.000 2.099 188 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 188 M C 2.079 178.281 176.300 -0.162 0.000 1.067 188 M CA 0.923 56.156 55.300 -0.113 0.000 1.124 188 M CB -0.735 31.803 32.600 -0.105 0.000 1.353 188 M HN 0.334 nan 8.290 nan 0.000 0.410 189 V N 0.309 120.143 119.914 -0.133 0.000 2.295 189 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 189 V C 2.671 178.684 176.094 -0.135 0.000 1.049 189 V CA 2.049 64.272 62.300 -0.128 0.000 1.024 189 V CB -1.780 29.967 31.823 -0.127 0.000 0.648 189 V HN 0.563 nan 8.190 nan 0.000 0.447 190 G N -0.099 108.631 108.800 -0.116 0.000 2.469 190 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 190 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 190 G C 1.581 176.392 174.900 -0.148 0.000 1.136 190 G CA 1.343 46.387 45.100 -0.093 0.000 0.759 190 G HN 0.432 nan 8.290 nan 0.000 0.562 191 L N 1.257 122.327 121.223 -0.256 0.000 2.027 191 L HA 0.236 4.576 4.340 -0.000 0.000 0.206 191 L C 3.109 179.510 176.870 -0.782 0.000 1.074 191 L CA 2.102 56.638 54.840 -0.506 0.000 0.745 191 L CB -0.887 40.827 42.059 -0.575 0.000 0.898 191 L HN 0.232 nan 8.230 nan 0.000 0.433 192 A N -0.358 122.110 122.820 -0.587 0.000 1.908 192 A HA -0.187 4.132 4.320 -0.000 0.000 0.218 192 A C 2.443 180.034 177.584 0.011 0.000 1.181 192 A CA 2.110 53.963 52.037 -0.305 0.000 0.627 192 A CB -1.258 17.677 19.000 -0.108 0.000 0.818 192 A HN 0.584 nan 8.150 nan 0.000 0.445 193 A N -0.660 122.176 122.820 0.026 0.000 1.933 193 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 193 A C 1.887 179.640 177.584 0.281 0.000 1.175 193 A CA 2.024 54.202 52.037 0.235 0.000 0.628 193 A CB -0.553 18.451 19.000 0.007 0.000 0.814 193 A HN 0.466 nan 8.150 nan 0.000 0.444 194 D N -1.456 119.002 120.400 0.097 0.000 2.144 194 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 194 D C 1.678 178.130 176.300 0.255 0.000 0.978 194 D CA 0.853 54.931 54.000 0.129 0.000 0.833 194 D CB -0.198 40.628 40.800 0.042 0.000 0.961 194 D HN 0.575 nan 8.370 nan 0.000 0.470 195 W N 0.974 122.336 121.300 0.102 0.000 2.358 195 W HA -0.026 4.637 4.660 0.004 0.000 0.303 195 W C 2.357 178.921 176.519 0.074 0.000 1.208 195 W CA 0.148 57.538 57.345 0.076 0.000 1.274 195 W CB -1.420 28.081 29.460 0.069 0.000 1.138 195 W HN 0.079 nan 8.180 nan 0.000 0.515 196 L N 0.110 121.541 121.223 0.346 0.000 2.046 196 L HA -0.222 4.117 4.340 -0.000 0.000 0.208 196 L C 2.308 179.234 176.870 0.094 0.000 1.077 196 L CA 1.994 56.954 54.840 0.201 0.000 0.747 196 L CB -0.810 41.376 42.059 0.212 0.000 0.896 196 L HN -0.135 nan 8.230 nan 0.000 0.432 197 T N -0.790 113.818 114.554 0.091 0.000 2.684 197 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 197 T C 1.980 176.656 174.700 -0.039 0.000 1.036 197 T CA 1.757 63.815 62.100 -0.070 0.000 1.148 197 T CB -0.289 68.533 68.868 -0.076 0.000 0.863 197 T HN 0.406 nan 8.240 nan 0.000 0.436 198 S N 1.084 116.829 115.700 0.074 0.000 2.383 198 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 198 S C 2.358 176.990 174.600 0.053 0.000 1.030 198 S CA 1.539 59.791 58.200 0.086 0.000 1.002 198 S CB -0.671 62.605 63.200 0.127 0.000 0.829 198 S HN 0.576 nan 8.310 nan 0.000 0.467 199 T N 2.124 116.714 114.554 0.060 0.000 2.821 199 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 199 T C 2.134 176.850 174.700 0.027 0.000 1.046 199 T CA 1.117 63.243 62.100 0.043 0.000 1.139 199 T CB -0.400 68.500 68.868 0.054 0.000 0.871 199 T HN 0.468 nan 8.240 nan 0.000 0.454 200 A N 1.619 124.454 122.820 0.026 0.000 1.929 200 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 200 A C 1.157 178.751 177.584 0.016 0.000 1.176 200 A CA 0.810 52.870 52.037 0.039 0.000 0.628 200 A CB -0.760 18.322 19.000 0.136 0.000 0.816 200 A HN 0.673 nan 8.150 nan 0.000 0.444 201 N N -0.161 118.527 118.700 -0.020 0.000 2.666 201 N HA -0.167 4.572 4.740 -0.000 0.000 0.274 201 N C -0.309 175.177 175.510 -0.041 0.000 1.043 201 N CA 0.825 53.858 53.050 -0.029 0.000 0.782 201 N CB -0.732 37.757 38.487 0.003 0.000 0.912 201 N HN 0.538 nan 8.380 nan 0.000 0.556 202 T N 0.755 115.260 114.554 -0.081 0.000 2.887 202 T HA 0.379 4.729 4.350 -0.000 0.000 0.292 202 T C -0.581 174.008 174.700 -0.185 0.000 1.087 202 T CA -0.658 61.391 62.100 -0.085 0.000 1.009 202 T CB 1.337 70.201 68.868 -0.007 0.000 1.203 202 T HN 0.321 nan 8.240 nan 0.000 0.518 203 N N 1.733 120.273 118.700 -0.268 0.000 2.495 203 N HA 0.292 5.032 4.740 -0.000 0.000 0.280 203 N C 0.651 175.914 175.510 -0.411 0.000 1.168 203 N CA -0.532 52.222 53.050 -0.492 0.000 0.978 203 N CB 1.387 39.242 38.487 -1.053 0.000 1.191 203 N HN 0.519 nan 8.380 nan 0.000 0.497 204 M N 1.143 120.522 119.600 -0.369 0.000 2.541 204 M HA 0.068 4.548 4.480 -0.000 0.000 0.252 204 M C 1.449 177.748 176.300 -0.001 0.000 1.125 204 M CA 0.416 55.640 55.300 -0.127 0.000 1.091 204 M CB -0.826 31.747 32.600 -0.045 0.000 1.420 204 M HN 0.520 nan 8.290 nan 0.000 0.486 205 F N 0.188 120.172 119.950 0.056 0.000 2.269 205 F HA -0.008 4.519 4.527 0.000 0.000 0.301 205 F C 0.904 176.742 175.800 0.063 0.000 1.082 205 F CA 0.252 58.287 58.000 0.057 0.000 1.360 205 F CB -0.977 38.051 39.000 0.046 0.000 1.041 205 F HN 0.141 nan 8.300 nan 0.000 0.512 206 T N -4.577 110.228 114.554 0.418 0.000 2.909 206 T HA 0.214 4.564 4.350 -0.000 0.000 0.299 206 T C -0.043 174.777 174.700 0.199 0.000 1.073 206 T CA -0.755 61.509 62.100 0.274 0.000 0.999 206 T CB 1.538 70.555 68.868 0.247 0.000 1.098 206 T HN 0.206 nan 8.240 nan 0.000 0.477 207 Y N 1.393 121.741 120.300 0.080 0.000 2.193 207 Y HA -0.167 4.382 4.550 -0.001 0.000 0.285 207 Y C 2.410 178.327 175.900 0.028 0.000 1.166 207 Y CA 2.358 60.481 58.100 0.039 0.000 1.181 207 Y CB -0.045 38.424 38.460 0.016 0.000 0.976 207 Y HN 0.965 nan 8.280 nan 0.000 0.520 208 E N 0.096 120.386 120.200 0.150 0.000 2.114 208 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 208 E C 1.840 178.426 176.600 -0.023 0.000 1.008 208 E CA 2.070 58.515 56.400 0.075 0.000 0.810 208 E CB -0.369 29.398 29.700 0.110 0.000 0.739 208 E HN 0.668 nan 8.360 nan 0.000 0.456 209 I N -3.305 117.264 120.570 -0.002 0.000 4.139 209 I HA 0.345 4.515 4.170 -0.000 0.000 0.335 209 I C 0.573 176.647 176.117 -0.072 0.000 1.327 209 I CA 0.483 61.768 61.300 -0.025 0.000 1.112 209 I CB 0.615 38.640 38.000 0.042 0.000 1.058 209 I HN 0.050 nan 8.210 nan 0.000 0.396 210 A N 3.164 125.923 122.820 -0.103 0.000 3.253 210 A HA 0.550 4.870 4.320 -0.000 0.000 0.290 210 A C -1.717 175.695 177.584 -0.287 0.000 0.950 210 A CA -0.867 51.119 52.037 -0.085 0.000 0.986 210 A CB -0.265 18.792 19.000 0.095 0.000 1.104 210 A HN 0.154 nan 8.150 nan 0.000 0.481 211 P HA -0.158 nan 4.420 nan 0.000 0.214 211 P C 1.626 178.613 177.300 -0.521 0.000 1.163 211 P CA 1.522 64.024 63.100 -0.996 0.000 0.883 211 P CB 0.040 31.102 31.700 -1.063 0.000 0.788 212 V N -0.842 118.748 119.914 -0.540 0.000 2.343 212 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 212 V C 2.556 178.430 176.094 -0.367 0.000 1.051 212 V CA 1.877 63.877 62.300 -0.500 0.000 1.036 212 V CB -1.666 29.724 31.823 -0.720 0.000 0.654 212 V HN -0.107 nan 8.190 nan 0.000 0.451 213 F N -0.164 119.686 119.950 -0.168 0.000 2.259 213 F HA -0.052 4.474 4.527 -0.002 0.000 0.298 213 F C 2.304 178.081 175.800 -0.038 0.000 1.088 213 F CA 0.629 58.559 58.000 -0.116 0.000 1.358 213 F CB -1.278 37.642 39.000 -0.133 0.000 1.040 213 F HN -0.054 nan 8.300 nan 0.000 0.505 214 V N 0.240 120.240 119.914 0.143 0.000 2.358 214 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 214 V C 2.439 178.647 176.094 0.191 0.000 1.047 214 V CA 1.448 63.857 62.300 0.182 0.000 1.035 214 V CB -0.675 31.280 31.823 0.220 0.000 0.658 214 V HN 0.297 nan 8.190 nan 0.000 0.452 215 L N -0.728 120.579 121.223 0.141 0.000 2.027 215 L HA -0.161 4.178 4.340 -0.000 0.000 0.206 215 L C 2.425 179.351 176.870 0.093 0.000 1.074 215 L CA 1.469 56.386 54.840 0.128 0.000 0.745 215 L CB -0.575 41.529 42.059 0.074 0.000 0.898 215 L HN 0.297 nan 8.230 nan 0.000 0.433 216 L N -0.261 120.946 121.223 -0.025 0.000 2.079 216 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 216 L C 2.561 179.496 176.870 0.108 0.000 1.081 216 L CA 1.441 56.216 54.840 -0.108 0.000 0.752 216 L CB -0.566 41.335 42.059 -0.263 0.000 0.896 216 L HN 0.385 nan 8.230 nan 0.000 0.433 217 E N -0.124 120.194 120.200 0.196 0.000 2.077 217 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 217 E C 2.222 178.973 176.600 0.250 0.000 0.989 217 E CA 1.300 57.885 56.400 0.308 0.000 0.800 217 E CB -0.236 29.659 29.700 0.325 0.000 0.746 217 E HN 0.439 nan 8.360 nan 0.000 0.452 218 Y N 0.832 121.208 120.300 0.128 0.000 2.128 218 Y HA -0.258 4.293 4.550 0.002 0.000 0.284 218 Y C 2.259 178.205 175.900 0.077 0.000 1.154 218 Y CA 2.066 60.223 58.100 0.094 0.000 1.149 218 Y CB -0.349 38.155 38.460 0.074 0.000 0.976 218 Y HN 0.104 nan 8.280 nan 0.000 0.505 219 V N -2.042 117.882 119.914 0.017 0.000 2.427 219 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 219 V C 1.829 177.853 176.094 -0.117 0.000 1.051 219 V CA 2.519 64.772 62.300 -0.079 0.000 1.048 219 V CB -1.180 30.687 31.823 0.073 0.000 0.666 219 V HN 0.503 nan 8.190 nan 0.000 0.456 220 T N 1.214 115.773 114.554 0.008 0.000 2.812 220 T HA 0.070 4.420 4.350 -0.000 0.000 0.264 220 T C 1.889 176.565 174.700 -0.041 0.000 1.042 220 T CA 1.986 64.098 62.100 0.020 0.000 1.140 220 T CB -0.359 68.684 68.868 0.291 0.000 0.870 220 T HN 0.456 nan 8.240 nan 0.000 0.445 221 L N 0.608 121.804 121.223 -0.045 0.000 2.141 221 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 221 L C 2.676 179.460 176.870 -0.143 0.000 1.094 221 L CA 1.074 55.837 54.840 -0.128 0.000 0.763 221 L CB -0.387 41.593 42.059 -0.132 0.000 0.908 221 L HN 0.178 nan 8.230 nan 0.000 0.437 222 K N 0.740 120.995 120.400 -0.242 0.000 2.025 222 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 222 K C 2.229 178.754 176.600 -0.124 0.000 1.049 222 K CA 1.491 57.638 56.287 -0.233 0.000 0.933 222 K CB 0.084 32.321 32.500 -0.439 0.000 0.714 222 K HN -0.063 nan 8.250 nan 0.000 0.438 223 K N 0.826 121.130 120.400 -0.160 0.000 2.074 223 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 223 K C 2.003 178.625 176.600 0.038 0.000 1.048 223 K CA 1.836 58.052 56.287 -0.118 0.000 0.926 223 K CB -0.098 32.177 32.500 -0.375 0.000 0.713 223 K HN 0.163 nan 8.250 nan 0.000 0.444 224 M N -0.207 119.415 119.600 0.038 0.000 2.159 224 M HA -0.160 4.319 4.480 -0.000 0.000 0.263 224 M C 2.137 178.480 176.300 0.072 0.000 1.063 224 M CA 1.648 57.013 55.300 0.108 0.000 1.110 224 M CB -0.218 32.304 32.600 -0.130 0.000 1.374 224 M HN 0.089 nan 8.290 nan 0.000 0.411 225 R N 0.151 120.627 120.500 -0.040 0.000 2.096 225 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 225 R C 1.982 178.234 176.300 -0.081 0.000 1.127 225 R CA 1.323 57.343 56.100 -0.132 0.000 0.968 225 R CB -0.319 30.024 30.300 0.072 0.000 0.861 225 R HN 0.531 nan 8.270 nan 0.000 0.440 226 E N 0.583 120.790 120.200 0.012 0.000 2.047 226 E HA -0.150 4.199 4.350 -0.000 0.000 0.191 226 E C 2.064 178.685 176.600 0.034 0.000 0.987 226 E CA 0.986 57.410 56.400 0.040 0.000 0.799 226 E CB -0.029 29.702 29.700 0.052 0.000 0.752 226 E HN 0.245 nan 8.360 nan 0.000 0.449 227 I N 1.196 121.819 120.570 0.088 0.000 2.208 227 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 227 I C 2.461 178.563 176.117 -0.025 0.000 1.097 227 I CA 1.337 62.702 61.300 0.108 0.000 1.363 227 I CB -0.682 37.497 38.000 0.299 0.000 1.051 227 I HN 0.191 nan 8.210 nan 0.000 0.413 228 I N 0.454 120.952 120.570 -0.120 0.000 2.226 228 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 228 I C 1.814 177.769 176.117 -0.270 0.000 1.100 228 I CA 1.629 62.730 61.300 -0.333 0.000 1.374 228 I CB -0.394 37.178 38.000 -0.713 0.000 1.057 228 I HN 0.515 nan 8.210 nan 0.000 0.413 229 G N -1.248 107.446 108.800 -0.176 0.000 2.198 229 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.156 229 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.156 229 G C -0.295 174.711 174.900 0.177 0.000 1.012 229 G CA -0.746 44.355 45.100 0.002 0.000 0.692 229 G HN 0.073 nan 8.290 nan 0.000 0.492 230 W N 2.141 123.457 121.300 0.027 0.000 2.304 230 W HA 0.470 5.133 4.660 0.005 0.000 0.313 230 W C -1.854 174.678 176.519 0.022 0.000 1.323 230 W CA -2.900 54.456 57.345 0.019 0.000 1.223 230 W CB -0.195 29.278 29.460 0.022 0.000 1.237 230 W HN 0.038 nan 8.180 nan 0.000 0.535 231 P HA 0.043 nan 4.420 nan 0.000 0.262 231 P C 0.934 178.304 177.300 0.118 0.000 1.199 231 P CA 0.971 64.150 63.100 0.131 0.000 0.763 231 P CB 0.351 32.104 31.700 0.088 0.000 0.790 232 G N 3.413 112.270 108.800 0.096 0.000 2.187 232 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.261 232 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.261 232 G C 0.859 175.814 174.900 0.093 0.000 1.000 232 G CA 0.648 45.798 45.100 0.083 0.000 0.718 232 G HN 1.051 nan 8.290 nan 0.000 0.519 233 G N -1.718 107.155 108.800 0.122 0.000 2.160 233 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.251 233 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.251 233 G C 0.586 175.586 174.900 0.167 0.000 1.008 233 G CA 0.824 45.999 45.100 0.125 0.000 0.724 233 G HN 1.779 nan 8.290 nan 0.000 0.514 234 S N -0.175 115.638 115.700 0.190 0.000 2.576 234 S HA 0.622 5.092 4.470 -0.000 0.000 0.272 234 S C 1.064 175.806 174.600 0.236 0.000 1.352 234 S CA 1.163 59.464 58.200 0.168 0.000 1.021 234 S CB 1.481 64.745 63.200 0.106 0.000 0.887 234 S HN 2.217 nan 8.310 nan 0.000 0.542 235 G N 1.202 110.099 108.800 0.162 0.000 2.306 235 G HA2 0.185 4.144 3.960 -0.000 0.000 0.262 235 G HA3 0.185 4.144 3.960 -0.000 0.000 0.262 235 G C -1.684 173.330 174.900 0.190 0.000 1.263 235 G CA -0.352 44.845 45.100 0.162 0.000 1.088 235 G HN 0.710 nan 8.290 nan 0.000 0.489 236 D N -1.044 119.491 120.400 0.225 0.000 2.610 236 D HA 0.773 5.413 4.640 -0.000 0.000 0.271 236 D C 0.178 176.597 176.300 0.197 0.000 1.174 236 D CA 0.874 54.987 54.000 0.188 0.000 0.949 236 D CB 1.748 42.641 40.800 0.156 0.000 1.430 236 D HN 1.597 nan 8.370 nan 0.000 0.467 237 G N -0.230 108.650 108.800 0.133 0.000 2.547 237 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 237 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 237 G C -1.992 172.931 174.900 0.039 0.000 1.471 237 G CA -0.390 44.755 45.100 0.074 0.000 0.798 237 G HN 0.418 nan 8.290 nan 0.000 0.504 238 I N -0.843 119.721 120.570 -0.010 0.000 2.913 238 I HA 0.730 4.900 4.170 -0.000 0.000 0.302 238 I C -1.539 174.538 176.117 -0.067 0.000 1.246 238 I CA -1.039 60.278 61.300 0.028 0.000 1.010 238 I CB 1.996 40.048 38.000 0.087 0.000 1.259 238 I HN 0.412 nan 8.210 nan 0.000 0.434 239 F N 4.528 124.561 119.950 0.138 0.000 2.396 239 F HA 0.569 5.094 4.527 -0.003 0.000 0.343 239 F C 0.696 176.608 175.800 0.186 0.000 1.104 239 F CA 0.120 58.203 58.000 0.138 0.000 1.161 239 F CB 1.502 40.566 39.000 0.107 0.000 1.146 239 F HN 0.481 nan 8.300 nan 0.000 0.522 240 S N 3.064 118.979 115.700 0.358 0.000 2.648 240 S HA 0.603 5.073 4.470 -0.000 0.000 0.305 240 S C -2.769 171.959 174.600 0.214 0.000 1.094 240 S CA -1.762 56.617 58.200 0.299 0.000 0.983 240 S CB 1.991 65.325 63.200 0.223 0.000 1.101 240 S HN 0.354 nan 8.310 nan 0.000 0.514 241 P HA 0.406 nan 4.420 nan 0.000 0.220 241 P C 0.260 177.599 177.300 0.065 0.000 1.806 241 P CA 0.303 63.462 63.100 0.098 0.000 0.976 241 P CB -0.554 31.190 31.700 0.073 0.000 1.952 242 G N 0.170 109.037 108.800 0.112 0.000 2.697 242 G HA2 0.065 4.025 3.960 -0.000 0.000 0.684 242 G HA3 0.065 4.025 3.960 -0.000 0.000 0.684 242 G C 0.687 175.627 174.900 0.067 0.000 1.274 242 G CA -0.498 44.670 45.100 0.115 0.000 0.806 242 G HN 0.249 nan 8.290 nan 0.000 0.644 243 G N 0.202 109.041 108.800 0.065 0.000 2.470 243 G HA2 0.286 4.245 3.960 -0.000 0.000 0.220 243 G HA3 0.286 4.245 3.960 -0.000 0.000 0.220 243 G C 1.999 176.867 174.900 -0.052 0.000 1.121 243 G CA 2.389 47.489 45.100 0.000 0.000 0.766 243 G HN 1.960 nan 8.290 nan 0.000 0.553 244 A N 0.996 123.776 122.820 -0.066 0.000 1.933 244 A HA 0.020 4.339 4.320 -0.000 0.000 0.218 244 A C 2.252 179.788 177.584 -0.079 0.000 1.175 244 A CA 1.295 53.305 52.037 -0.046 0.000 0.628 244 A CB -0.197 18.816 19.000 0.022 0.000 0.814 244 A HN 0.296 nan 8.150 nan 0.000 0.444 245 I N -0.236 120.248 120.570 -0.144 0.000 2.500 245 I HA -0.082 4.088 4.170 -0.000 0.000 0.252 245 I C 2.452 178.241 176.117 -0.547 0.000 1.142 245 I CA 1.235 62.322 61.300 -0.354 0.000 1.451 245 I CB -1.608 36.166 38.000 -0.377 0.000 1.093 245 I HN 0.181 nan 8.210 nan 0.000 0.430 246 S N 1.392 116.940 115.700 -0.253 0.000 2.359 246 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 246 S C 1.764 176.366 174.600 0.002 0.000 1.035 246 S CA 1.767 59.943 58.200 -0.040 0.000 1.018 246 S CB -0.534 62.724 63.200 0.096 0.000 0.876 246 S HN 0.537 nan 8.310 nan 0.000 0.448 247 N N 0.852 119.547 118.700 -0.008 0.000 2.104 247 N HA -0.105 4.635 4.740 -0.000 0.000 0.190 247 N C 1.885 177.344 175.510 -0.085 0.000 1.024 247 N CA 1.352 54.385 53.050 -0.028 0.000 0.853 247 N CB -0.204 38.307 38.487 0.040 0.000 1.008 247 N HN 0.330 nan 8.380 nan 0.000 0.424 248 M N -0.042 119.505 119.600 -0.089 0.000 2.117 248 M HA -0.205 4.275 4.480 -0.000 0.000 0.262 248 M C 1.311 177.635 176.300 0.040 0.000 1.065 248 M CA 1.552 56.819 55.300 -0.053 0.000 1.114 248 M CB -0.068 32.476 32.600 -0.094 0.000 1.361 248 M HN 0.165 nan 8.290 nan 0.000 0.408 249 Y N 0.241 120.533 120.300 -0.015 0.000 2.128 249 Y HA -0.145 4.405 4.550 -0.001 0.000 0.284 249 Y C 2.743 178.602 175.900 -0.068 0.000 1.154 249 Y CA 1.083 59.171 58.100 -0.019 0.000 1.149 249 Y CB -1.677 36.794 38.460 0.019 0.000 0.976 249 Y HN 0.356 nan 8.280 nan 0.000 0.505 250 A N -0.147 122.702 122.820 0.047 0.000 1.883 250 A HA -0.273 4.046 4.320 -0.000 0.000 0.217 250 A C 2.481 179.919 177.584 -0.243 0.000 1.186 250 A CA 2.070 54.028 52.037 -0.132 0.000 0.624 250 A CB -0.911 17.778 19.000 -0.519 0.000 0.822 250 A HN 0.496 nan 8.150 nan 0.000 0.444 251 M N -1.370 118.138 119.600 -0.153 0.000 2.117 251 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 251 M C 2.279 178.614 176.300 0.059 0.000 1.065 251 M CA 1.782 57.064 55.300 -0.030 0.000 1.114 251 M CB -0.204 32.425 32.600 0.049 0.000 1.361 251 M HN 0.490 nan 8.290 nan 0.000 0.408 252 M N -0.053 119.570 119.600 0.038 0.000 2.082 252 M HA -0.266 4.214 4.480 -0.000 0.000 0.258 252 M C 1.961 178.265 176.300 0.006 0.000 1.069 252 M CA 1.890 57.217 55.300 0.044 0.000 1.102 252 M CB -0.447 32.194 32.600 0.067 0.000 1.336 252 M HN 0.332 nan 8.290 nan 0.000 0.404 253 I N -0.489 120.026 120.570 -0.092 0.000 2.353 253 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 253 I C 2.586 178.449 176.117 -0.423 0.000 1.119 253 I CA 0.986 62.188 61.300 -0.164 0.000 1.417 253 I CB -0.491 37.416 38.000 -0.155 0.000 1.078 253 I HN 0.242 nan 8.210 nan 0.000 0.421 254 A N 0.828 123.181 122.820 -0.778 0.000 1.902 254 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 254 A C 2.447 180.013 177.584 -0.030 0.000 1.181 254 A CA 1.846 53.382 52.037 -0.835 0.000 0.623 254 A CB -0.629 17.847 19.000 -0.873 0.000 0.818 254 A HN 0.369 nan 8.150 nan 0.000 0.443 255 R N -1.687 118.897 120.500 0.139 0.000 2.062 255 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 255 R C 2.014 178.374 176.300 0.100 0.000 1.136 255 R CA 1.810 57.962 56.100 0.087 0.000 0.948 255 R CB -0.521 29.729 30.300 -0.084 0.000 0.845 255 R HN 0.466 nan 8.270 nan 0.000 0.430 256 F N 2.052 121.982 119.950 -0.032 0.000 2.161 256 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 256 F C 2.175 177.970 175.800 -0.008 0.000 1.089 256 F CA 2.027 60.020 58.000 -0.012 0.000 1.282 256 F CB -0.173 38.809 39.000 -0.029 0.000 1.010 256 F HN -0.009 nan 8.300 nan 0.000 0.485 257 K N 0.390 120.768 120.400 -0.036 0.000 2.057 257 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 257 K C 2.198 178.695 176.600 -0.172 0.000 1.049 257 K CA 2.004 58.251 56.287 -0.066 0.000 0.931 257 K CB -0.537 32.051 32.500 0.146 0.000 0.714 257 K HN 0.430 nan 8.250 nan 0.000 0.440 258 M N -1.104 118.390 119.600 -0.177 0.000 2.288 258 M HA 0.101 4.581 4.480 -0.000 0.000 0.266 258 M C -0.390 175.400 176.300 -0.850 0.000 1.072 258 M CA 1.056 56.077 55.300 -0.465 0.000 1.132 258 M CB 0.474 32.825 32.600 -0.416 0.000 1.386 258 M HN 0.014 nan 8.290 nan 0.000 0.432 259 F N -0.470 119.394 119.950 -0.142 0.000 2.769 259 F HA 0.350 4.877 4.527 -0.000 0.000 0.358 259 F C -1.958 173.693 175.800 -0.248 0.000 1.285 259 F CA -2.152 55.754 58.000 -0.157 0.000 1.199 259 F CB 0.294 39.226 39.000 -0.113 0.000 1.558 259 F HN -0.058 nan 8.300 nan 0.000 0.583 260 P HA -0.218 nan 4.420 nan 0.000 0.221 260 P C 1.372 178.623 177.300 -0.083 0.000 1.145 260 P CA 1.428 64.172 63.100 -0.594 0.000 0.795 260 P CB 0.228 31.524 31.700 -0.674 0.000 0.775 261 E N 0.448 120.648 120.200 0.001 0.000 2.265 261 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 261 E C 1.940 178.577 176.600 0.062 0.000 0.996 261 E CA 0.619 57.049 56.400 0.049 0.000 0.832 261 E CB -1.551 28.174 29.700 0.042 0.000 0.756 261 E HN 0.105 nan 8.360 nan 0.000 0.491 262 V N 1.558 121.517 119.914 0.075 0.000 2.453 262 V HA -0.296 3.824 4.120 -0.000 0.000 0.252 262 V C 2.614 178.751 176.094 0.073 0.000 1.068 262 V CA 2.511 64.840 62.300 0.048 0.000 1.070 262 V CB -0.527 31.320 31.823 0.040 0.000 0.664 262 V HN 0.289 nan 8.190 nan 0.000 0.461 263 K N -0.678 119.810 120.400 0.146 0.000 2.063 263 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 263 K C 1.987 178.629 176.600 0.071 0.000 1.048 263 K CA 2.311 58.675 56.287 0.129 0.000 0.928 263 K CB -0.026 32.603 32.500 0.215 0.000 0.713 263 K HN 0.567 nan 8.250 nan 0.000 0.442 264 E N -0.320 119.921 120.200 0.068 0.000 2.140 264 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 264 E C 1.461 178.074 176.600 0.021 0.000 0.973 264 E CA 0.975 57.400 56.400 0.041 0.000 0.829 264 E CB 0.357 30.082 29.700 0.043 0.000 0.781 264 E HN 0.177 nan 8.360 nan 0.000 0.466 265 K N -0.595 119.814 120.400 0.016 0.000 2.348 265 K HA 0.287 4.607 4.320 -0.000 0.000 0.194 265 K C 0.491 177.080 176.600 -0.020 0.000 1.052 265 K CA 0.418 56.702 56.287 -0.004 0.000 1.004 265 K CB 1.138 33.633 32.500 -0.009 0.000 0.873 265 K HN 0.180 nan 8.250 nan 0.000 0.523 266 G N 1.403 110.192 108.800 -0.018 0.000 2.796 266 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.571 266 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.571 266 G C 0.405 175.261 174.900 -0.073 0.000 1.370 266 G CA -0.445 44.633 45.100 -0.037 0.000 0.856 266 G HN -0.092 nan 8.290 nan 0.000 0.538 267 M N 0.429 119.974 119.600 -0.091 0.000 2.358 267 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 267 M C 2.894 179.107 176.300 -0.145 0.000 1.064 267 M CA 2.230 57.446 55.300 -0.140 0.000 1.093 267 M CB -1.552 30.966 32.600 -0.136 0.000 1.401 267 M HN 1.180 nan 8.290 nan 0.000 0.440 268 A N -0.026 122.731 122.820 -0.105 0.000 2.070 268 A HA 0.059 4.379 4.320 -0.000 0.000 0.220 268 A C 2.276 179.798 177.584 -0.103 0.000 1.159 268 A CA 1.652 53.633 52.037 -0.094 0.000 0.656 268 A CB -0.574 18.387 19.000 -0.065 0.000 0.800 268 A HN 0.482 nan 8.150 nan 0.000 0.453 269 A N -0.951 121.800 122.820 -0.114 0.000 2.169 269 A HA 0.430 4.749 4.320 -0.000 0.000 0.212 269 A C 0.927 178.398 177.584 -0.189 0.000 1.153 269 A CA 0.128 52.097 52.037 -0.114 0.000 0.756 269 A CB -0.176 18.774 19.000 -0.082 0.000 0.813 269 A HN 0.423 nan 8.150 nan 0.000 0.471 270 L N 0.337 121.393 121.223 -0.278 0.000 2.358 270 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 270 L C -1.976 174.660 176.870 -0.390 0.000 1.032 270 L CA -2.257 52.280 54.840 -0.504 0.000 0.805 270 L CB 0.560 42.201 42.059 -0.697 0.000 1.253 270 L HN 0.060 nan 8.230 nan 0.000 0.452 271 P HA 0.094 nan 4.420 nan 0.000 0.277 271 P C -0.869 176.301 177.300 -0.217 0.000 1.276 271 P CA -0.661 62.312 63.100 -0.211 0.000 0.788 271 P CB 0.564 32.209 31.700 -0.092 0.000 1.114 272 R N 0.662 121.089 120.500 -0.121 0.000 2.288 272 R HA 0.214 4.554 4.340 -0.000 0.000 0.330 272 R C -0.511 175.705 176.300 -0.139 0.000 1.069 272 R CA -0.484 55.488 56.100 -0.213 0.000 0.941 272 R CB -0.429 29.617 30.300 -0.423 0.000 0.998 272 R HN 0.256 nan 8.270 nan 0.000 0.452 273 L N 5.804 126.926 121.223 -0.169 0.000 2.371 273 L HA 0.335 4.675 4.340 -0.000 0.000 0.272 273 L C -0.029 176.872 176.870 0.051 0.000 1.124 273 L CA 0.063 54.871 54.840 -0.055 0.000 0.816 273 L CB 1.280 43.109 42.059 -0.383 0.000 1.129 273 L HN 0.512 nan 8.230 nan 0.000 0.448 274 I N 2.510 123.224 120.570 0.241 0.000 2.545 274 I HA 0.632 4.802 4.170 -0.000 0.000 0.292 274 I C -0.092 175.979 176.117 -0.077 0.000 1.040 274 I CA -0.685 60.618 61.300 0.006 0.000 1.068 274 I CB 1.560 39.472 38.000 -0.146 0.000 1.251 274 I HN 0.613 nan 8.210 nan 0.000 0.424 275 A N 5.958 128.593 122.820 -0.308 0.000 2.340 275 A HA 0.917 5.237 4.320 -0.000 0.000 0.331 275 A C -1.381 175.825 177.584 -0.631 0.000 1.140 275 A CA -0.343 51.440 52.037 -0.423 0.000 0.801 275 A CB 1.047 19.904 19.000 -0.238 0.000 1.234 275 A HN 0.464 nan 8.150 nan 0.000 0.469 276 F N 0.110 120.044 119.950 -0.025 0.000 2.540 276 F HA 0.775 5.301 4.527 -0.001 0.000 0.317 276 F C 0.547 176.359 175.800 0.020 0.000 1.104 276 F CA -0.288 57.719 58.000 0.011 0.000 0.913 276 F CB 2.803 41.813 39.000 0.016 0.000 1.170 276 F HN 0.612 nan 8.300 nan 0.000 0.450 277 T N 0.318 114.988 114.554 0.192 0.000 2.802 277 T HA 0.478 4.828 4.350 -0.000 0.000 0.311 277 T C -0.972 173.794 174.700 0.111 0.000 1.405 277 T CA -0.666 61.513 62.100 0.131 0.000 1.016 277 T CB 1.367 70.292 68.868 0.095 0.000 1.352 277 T HN 0.797 nan 8.240 nan 0.000 0.498 278 S N 1.182 116.935 115.700 0.088 0.000 2.617 278 S HA 0.328 4.798 4.470 -0.000 0.000 0.269 278 S C 1.066 175.714 174.600 0.080 0.000 1.292 278 S CA -0.160 58.089 58.200 0.082 0.000 1.010 278 S CB 0.764 64.003 63.200 0.065 0.000 0.944 278 S HN 0.793 nan 8.310 nan 0.000 0.536 279 E N 0.408 120.664 120.200 0.093 0.000 2.331 279 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 279 E C 0.628 177.223 176.600 -0.008 0.000 1.008 279 E CA 1.274 57.709 56.400 0.059 0.000 0.843 279 E CB -0.210 29.541 29.700 0.084 0.000 0.761 279 E HN 0.772 nan 8.360 nan 0.000 0.507 280 H N -0.816 118.205 119.070 -0.081 0.000 2.549 280 H HA 0.107 4.662 4.556 -0.000 0.000 0.279 280 H C 0.502 175.782 175.328 -0.079 0.000 1.018 280 H CA 0.022 55.994 56.048 -0.127 0.000 1.175 280 H CB 0.422 30.067 29.762 -0.195 0.000 1.485 280 H HN -0.002 nan 8.280 nan 0.000 0.543 281 S N -0.748 114.979 115.700 0.045 0.000 2.645 281 S HA 0.054 4.524 4.470 -0.000 0.000 0.266 281 S C 0.191 174.805 174.600 0.023 0.000 1.258 281 S CA -0.866 57.360 58.200 0.042 0.000 0.990 281 S CB 1.152 64.386 63.200 0.057 0.000 0.967 281 S HN 0.433 nan 8.310 nan 0.000 0.556 282 H N 1.126 120.142 119.070 -0.090 0.000 2.652 282 H HA 0.132 4.688 4.556 0.001 0.000 0.349 282 H C 0.870 176.093 175.328 -0.176 0.000 1.099 282 H CA 0.058 55.977 56.048 -0.215 0.000 1.417 282 H CB 0.489 30.076 29.762 -0.291 0.000 1.457 282 H HN 0.828 nan 8.280 nan 0.000 0.568 283 F N 1.957 121.639 119.950 -0.447 0.000 2.583 283 F HA -0.114 4.413 4.527 0.001 0.000 0.297 283 F C 2.096 177.839 175.800 -0.094 0.000 1.131 283 F CA 0.408 58.259 58.000 -0.249 0.000 1.467 283 F CB -0.534 38.295 39.000 -0.284 0.000 1.097 283 F HN 0.319 nan 8.300 nan 0.000 0.586 284 S N 0.716 116.376 115.700 -0.067 0.000 2.442 284 S HA -0.105 4.365 4.470 -0.000 0.000 0.236 284 S C 1.814 176.474 174.600 0.100 0.000 1.007 284 S CA 0.724 58.996 58.200 0.119 0.000 0.965 284 S CB -0.671 62.619 63.200 0.150 0.000 0.773 284 S HN 0.416 nan 8.310 nan 0.000 0.504 285 L N 1.209 122.484 121.223 0.087 0.000 2.072 285 L HA 0.078 4.418 4.340 -0.000 0.000 0.205 285 L C 2.657 179.563 176.870 0.061 0.000 1.079 285 L CA 1.555 56.436 54.840 0.070 0.000 0.752 285 L CB -1.011 41.090 42.059 0.070 0.000 0.906 285 L HN 0.338 nan 8.230 nan 0.000 0.436 286 K N 0.337 120.777 120.400 0.066 0.000 2.025 286 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 286 K C 2.024 178.657 176.600 0.054 0.000 1.049 286 K CA 1.007 57.324 56.287 0.050 0.000 0.933 286 K CB -0.148 32.380 32.500 0.046 0.000 0.714 286 K HN 0.262 nan 8.250 nan 0.000 0.438 287 K N -0.006 120.445 120.400 0.085 0.000 2.063 287 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 287 K C 2.226 178.859 176.600 0.055 0.000 1.048 287 K CA 1.479 57.812 56.287 0.078 0.000 0.928 287 K CB -0.334 32.246 32.500 0.134 0.000 0.713 287 K HN 0.286 nan 8.250 nan 0.000 0.442 288 G N 0.796 109.630 108.800 0.057 0.000 2.418 288 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 288 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 288 G C 1.582 176.507 174.900 0.042 0.000 1.158 288 G CA 0.967 46.092 45.100 0.041 0.000 0.771 288 G HN 0.373 nan 8.290 nan 0.000 0.545 289 A N 1.247 124.096 122.820 0.047 0.000 1.877 289 A HA 0.267 4.587 4.320 -0.000 0.000 0.216 289 A C 2.843 180.436 177.584 0.016 0.000 1.186 289 A CA 2.291 54.355 52.037 0.045 0.000 0.620 289 A CB -0.897 18.132 19.000 0.048 0.000 0.822 289 A HN 0.797 nan 8.150 nan 0.000 0.443 290 A N 0.034 122.861 122.820 0.011 0.000 1.865 290 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 290 A C 2.551 180.134 177.584 -0.000 0.000 1.191 290 A CA 2.519 54.556 52.037 -0.001 0.000 0.623 290 A CB -1.214 17.785 19.000 -0.000 0.000 0.826 290 A HN 1.172 nan 8.150 nan 0.000 0.444 291 A N -0.479 122.347 122.820 0.010 0.000 1.908 291 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 291 A C 1.945 179.534 177.584 0.008 0.000 1.181 291 A CA 1.575 53.618 52.037 0.011 0.000 0.627 291 A CB -0.584 18.428 19.000 0.020 0.000 0.818 291 A HN 0.499 nan 8.150 nan 0.000 0.445 292 L N -0.965 120.264 121.223 0.010 0.000 2.612 292 L HA 0.209 4.549 4.340 -0.000 0.000 0.230 292 L C 1.519 178.376 176.870 -0.023 0.000 1.140 292 L CA 0.378 55.220 54.840 0.003 0.000 0.896 292 L CB -0.434 41.635 42.059 0.017 0.000 1.065 292 L HN 0.583 nan 8.230 nan 0.000 0.447 293 G N 0.478 109.262 108.800 -0.026 0.000 2.160 293 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.251 293 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.251 293 G C 0.704 175.563 174.900 -0.068 0.000 1.008 293 G CA 0.520 45.593 45.100 -0.045 0.000 0.724 293 G HN 0.427 nan 8.290 nan 0.000 0.514 294 I N 0.406 120.940 120.570 -0.060 0.000 2.585 294 I HA 0.372 4.541 4.170 -0.000 0.000 0.254 294 I C 1.655 177.729 176.117 -0.072 0.000 1.129 294 I CA 1.237 62.488 61.300 -0.081 0.000 1.455 294 I CB 0.105 38.080 38.000 -0.042 0.000 1.111 294 I HN 1.007 nan 8.210 nan 0.000 0.433 295 G N 1.137 109.908 108.800 -0.048 0.000 3.190 295 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 295 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 295 G C 0.603 175.480 174.900 -0.039 0.000 1.033 295 G CA -0.075 44.996 45.100 -0.050 0.000 0.797 295 G HN 0.264 nan 8.290 nan 0.000 0.567 296 T N -1.073 113.464 114.554 -0.029 0.000 2.897 296 T HA -0.096 4.253 4.350 -0.000 0.000 0.271 296 T C 1.543 176.222 174.700 -0.035 0.000 1.084 296 T CA 2.075 64.161 62.100 -0.023 0.000 1.123 296 T CB -0.069 68.789 68.868 -0.016 0.000 0.865 296 T HN 0.438 nan 8.240 nan 0.000 0.496 297 D N 1.406 121.778 120.400 -0.046 0.000 2.263 297 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 297 D C 1.712 177.967 176.300 -0.076 0.000 0.971 297 D CA 0.807 54.775 54.000 -0.053 0.000 0.867 297 D CB -0.233 40.531 40.800 -0.059 0.000 0.929 297 D HN 0.435 nan 8.370 nan 0.000 0.492 298 S N -0.385 115.260 115.700 -0.091 0.000 2.597 298 S HA 0.129 4.599 4.470 -0.000 0.000 0.224 298 S C 0.372 174.900 174.600 -0.120 0.000 0.955 298 S CA -0.284 57.843 58.200 -0.122 0.000 0.933 298 S CB 0.955 64.076 63.200 -0.132 0.000 0.788 298 S HN -0.059 nan 8.310 nan 0.000 0.488 299 V N 3.844 123.703 119.914 -0.092 0.000 2.294 299 V HA 0.346 4.465 4.120 -0.000 0.000 0.272 299 V C -0.325 175.713 176.094 -0.094 0.000 1.027 299 V CA -0.619 61.620 62.300 -0.101 0.000 0.823 299 V CB 0.602 32.404 31.823 -0.035 0.000 1.030 299 V HN 0.291 nan 8.190 nan 0.000 0.457 300 I N 5.848 126.319 120.570 -0.165 0.000 2.371 300 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 300 I C 0.138 176.298 176.117 0.072 0.000 1.028 300 I CA -0.333 60.947 61.300 -0.032 0.000 1.345 300 I CB 1.366 39.376 38.000 0.016 0.000 1.407 300 I HN 0.393 nan 8.210 nan 0.000 0.501 301 L N 6.753 128.023 121.223 0.077 0.000 2.290 301 L HA 0.384 4.723 4.340 -0.000 0.000 0.284 301 L C -0.097 176.841 176.870 0.113 0.000 1.078 301 L CA -0.592 54.301 54.840 0.088 0.000 0.815 301 L CB 0.850 42.941 42.059 0.054 0.000 1.162 301 L HN 0.355 nan 8.230 nan 0.000 0.435 302 I N 2.182 122.825 120.570 0.121 0.000 2.396 302 I HA 0.093 4.263 4.170 -0.000 0.000 0.292 302 I C 0.543 176.706 176.117 0.077 0.000 0.999 302 I CA -0.074 61.289 61.300 0.104 0.000 1.310 302 I CB 1.420 39.479 38.000 0.099 0.000 1.404 302 I HN 0.357 nan 8.210 nan 0.000 0.496 303 K N 3.200 123.638 120.400 0.063 0.000 2.436 303 K HA 0.198 4.518 4.320 -0.000 0.000 0.275 303 K C -0.437 176.190 176.600 0.044 0.000 0.999 303 K CA -0.436 55.885 56.287 0.056 0.000 0.980 303 K CB 0.188 32.717 32.500 0.048 0.000 0.919 303 K HN 0.702 nan 8.250 nan 0.000 0.484 304 C N 2.232 121.559 119.300 0.045 0.000 2.470 304 C HA 0.509 4.969 4.460 -0.000 0.000 0.341 304 C C 0.366 175.345 174.990 -0.019 0.000 1.190 304 C CA -1.073 57.935 59.018 -0.018 0.000 1.904 304 C CB 1.026 28.706 27.740 -0.102 0.000 2.354 304 C HN 1.058 nan 8.230 nan 0.000 0.509 305 D N 0.540 120.912 120.400 -0.048 0.000 2.433 305 D HA 0.115 4.755 4.640 -0.000 0.000 0.255 305 D C 0.886 177.176 176.300 -0.016 0.000 1.226 305 D CA -0.413 53.580 54.000 -0.012 0.000 1.015 305 D CB 0.192 40.993 40.800 0.002 0.000 1.091 305 D HN 0.678 nan 8.370 nan 0.000 0.527 306 E N -0.487 119.740 120.200 0.044 0.000 2.209 306 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 306 E C 1.457 178.091 176.600 0.057 0.000 0.993 306 E CA 1.386 57.846 56.400 0.100 0.000 0.819 306 E CB -0.005 29.776 29.700 0.135 0.000 0.745 306 E HN 0.432 nan 8.360 nan 0.000 0.477 307 R N -1.405 119.076 120.500 -0.031 0.000 2.334 307 R HA 0.260 4.600 4.340 -0.000 0.000 0.216 307 R C 1.032 177.156 176.300 -0.293 0.000 0.905 307 R CA 0.550 56.544 56.100 -0.178 0.000 1.064 307 R CB 0.567 30.884 30.300 0.028 0.000 1.046 307 R HN 0.307 nan 8.270 nan 0.000 0.508 308 G N 1.122 109.713 108.800 -0.347 0.000 2.175 308 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 308 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 308 G C -0.240 174.342 174.900 -0.530 0.000 0.982 308 G CA -0.248 44.374 45.100 -0.796 0.000 0.641 308 G HN 0.251 nan 8.290 nan 0.000 0.527 309 K N 0.483 120.733 120.400 -0.251 0.000 2.211 309 K HA 0.564 4.884 4.320 -0.000 0.000 0.275 309 K C 0.778 177.329 176.600 -0.082 0.000 1.024 309 K CA -0.765 55.452 56.287 -0.116 0.000 0.887 309 K CB 1.446 33.927 32.500 -0.031 0.000 1.084 309 K HN 0.322 nan 8.250 nan 0.000 0.463 310 M N 4.493 124.066 119.600 -0.045 0.000 2.274 310 M HA -0.055 4.425 4.480 -0.000 0.000 0.377 310 M C -0.432 175.870 176.300 0.004 0.000 1.428 310 M CA 0.405 55.703 55.300 -0.005 0.000 0.907 310 M CB 0.266 32.877 32.600 0.017 0.000 1.974 310 M HN 0.459 nan 8.290 nan 0.000 0.479 311 I N 9.164 129.741 120.570 0.011 0.000 2.363 311 I HA 0.121 4.291 4.170 -0.000 0.000 0.292 311 I C -1.791 174.335 176.117 0.015 0.000 1.075 311 I CA -1.899 59.410 61.300 0.015 0.000 1.333 311 I CB 0.295 38.306 38.000 0.019 0.000 1.415 311 I HN 0.585 nan 8.210 nan 0.000 0.502 312 P HA -0.157 nan 4.420 nan 0.000 0.217 312 P C 1.633 178.939 177.300 0.010 0.000 1.148 312 P CA 1.290 64.398 63.100 0.014 0.000 0.828 312 P CB 0.240 31.952 31.700 0.020 0.000 0.783 313 S N -1.697 114.012 115.700 0.014 0.000 2.461 313 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 313 S C 1.810 176.413 174.600 0.004 0.000 1.005 313 S CA 1.114 59.321 58.200 0.013 0.000 0.942 313 S CB -1.037 62.174 63.200 0.018 0.000 0.776 313 S HN 0.044 nan 8.310 nan 0.000 0.514 314 D N 1.184 121.587 120.400 0.005 0.000 2.234 314 D HA 0.079 4.718 4.640 -0.000 0.000 0.205 314 D C 1.785 178.072 176.300 -0.022 0.000 0.962 314 D CA 0.509 54.513 54.000 0.006 0.000 0.855 314 D CB -0.255 40.560 40.800 0.024 0.000 0.951 314 D HN 0.347 nan 8.370 nan 0.000 0.500 315 L N 0.329 121.526 121.223 -0.043 0.000 2.005 315 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 315 L C 2.285 179.020 176.870 -0.225 0.000 1.072 315 L CA 1.610 56.373 54.840 -0.128 0.000 0.744 315 L CB -0.307 41.699 42.059 -0.088 0.000 0.895 315 L HN 0.126 nan 8.230 nan 0.000 0.433 316 E N -0.155 119.974 120.200 -0.119 0.000 2.051 316 E HA -0.300 4.050 4.350 -0.000 0.000 0.192 316 E C 2.357 178.871 176.600 -0.142 0.000 0.991 316 E CA 1.106 57.441 56.400 -0.108 0.000 0.799 316 E CB -0.120 29.610 29.700 0.051 0.000 0.748 316 E HN 0.262 nan 8.360 nan 0.000 0.449 317 R N 0.256 120.713 120.500 -0.072 0.000 2.096 317 R HA -0.194 4.145 4.340 -0.000 0.000 0.240 317 R C 2.251 178.513 176.300 -0.063 0.000 1.139 317 R CA 1.664 57.737 56.100 -0.046 0.000 0.952 317 R CB -0.119 30.175 30.300 -0.010 0.000 0.854 317 R HN 0.114 nan 8.270 nan 0.000 0.436 318 R N 0.396 120.850 120.500 -0.075 0.000 2.075 318 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 318 R C 2.377 178.641 176.300 -0.060 0.000 1.126 318 R CA 1.121 57.222 56.100 0.001 0.000 0.963 318 R CB -0.676 29.690 30.300 0.111 0.000 0.858 318 R HN 0.378 nan 8.270 nan 0.000 0.435 319 I N 0.733 121.051 120.570 -0.420 0.000 2.163 319 I HA -0.297 3.872 4.170 -0.000 0.000 0.243 319 I C 2.094 178.044 176.117 -0.278 0.000 1.085 319 I CA 1.029 62.030 61.300 -0.499 0.000 1.347 319 I CB -0.292 37.214 38.000 -0.824 0.000 1.044 319 I HN 0.030 nan 8.210 nan 0.000 0.408 320 L N 0.523 121.576 121.223 -0.284 0.000 2.093 320 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 320 L C 2.411 179.244 176.870 -0.061 0.000 1.085 320 L CA 1.744 56.488 54.840 -0.161 0.000 0.755 320 L CB -0.841 41.159 42.059 -0.099 0.000 0.904 320 L HN 0.239 nan 8.230 nan 0.000 0.435 321 E N -0.981 119.202 120.200 -0.028 0.000 2.051 321 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 321 E C 2.246 178.850 176.600 0.007 0.000 0.991 321 E CA 1.131 57.532 56.400 0.001 0.000 0.799 321 E CB -0.211 29.512 29.700 0.038 0.000 0.748 321 E HN 0.521 nan 8.360 nan 0.000 0.449 322 A N 2.440 125.321 122.820 0.102 0.000 1.865 322 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 322 A C 2.000 179.628 177.584 0.073 0.000 1.191 322 A CA 1.982 54.137 52.037 0.197 0.000 0.623 322 A CB -0.479 18.764 19.000 0.404 0.000 0.826 322 A HN 0.176 nan 8.150 nan 0.000 0.444 323 K N -0.762 119.672 120.400 0.056 0.000 2.432 323 K HA -0.038 4.282 4.320 -0.000 0.000 0.196 323 K C 1.812 178.395 176.600 -0.027 0.000 1.038 323 K CA 0.820 57.129 56.287 0.036 0.000 0.986 323 K CB -0.106 32.427 32.500 0.056 0.000 0.782 323 K HN 0.404 nan 8.250 nan 0.000 0.485 324 Q N 2.224 121.987 119.800 -0.063 0.000 2.083 324 Q HA -0.051 4.289 4.340 -0.000 0.000 0.198 324 Q C 1.236 177.142 176.000 -0.158 0.000 0.969 324 Q CA 1.492 57.246 55.803 -0.081 0.000 0.838 324 Q CB 0.144 28.842 28.738 -0.066 0.000 0.900 324 Q HN 0.358 nan 8.270 nan 0.000 0.436 325 K N -0.957 119.261 120.400 -0.303 0.000 2.525 325 K HA 0.070 4.389 4.320 -0.000 0.000 0.192 325 K C 0.895 177.169 176.600 -0.544 0.000 1.029 325 K CA 0.518 56.467 56.287 -0.563 0.000 1.029 325 K CB 0.131 31.977 32.500 -1.090 0.000 0.814 325 K HN 0.374 nan 8.250 nan 0.000 0.503 326 G N 1.346 109.994 108.800 -0.253 0.000 2.143 326 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 326 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 326 G C 0.061 175.043 174.900 0.136 0.000 0.991 326 G CA -0.267 44.805 45.100 -0.048 0.000 0.689 326 G HN 0.285 nan 8.290 nan 0.000 0.522 327 F N -0.797 119.188 119.950 0.059 0.000 2.378 327 F HA 0.533 5.060 4.527 -0.000 0.000 0.319 327 F C 0.881 176.748 175.800 0.111 0.000 1.155 327 F CA -1.200 56.841 58.000 0.068 0.000 1.157 327 F CB 1.480 40.519 39.000 0.064 0.000 1.252 327 F HN -0.094 nan 8.300 nan 0.000 0.550 328 V N 2.814 122.931 119.914 0.339 0.000 2.326 328 V HA 0.228 4.348 4.120 -0.000 0.000 0.281 328 V C -2.353 173.959 176.094 0.363 0.000 1.015 328 V CA -2.067 60.422 62.300 0.315 0.000 0.823 328 V CB 1.122 33.143 31.823 0.330 0.000 1.009 328 V HN 0.438 nan 8.190 nan 0.000 0.436 329 P HA 0.130 nan 4.420 nan 0.000 0.266 329 P C 0.104 177.677 177.300 0.455 0.000 1.215 329 P CA 0.212 63.588 63.100 0.460 0.000 0.763 329 P CB 0.188 32.141 31.700 0.423 0.000 0.806 330 F N 3.483 123.580 119.950 0.245 0.000 2.789 330 F HA 0.522 5.049 4.527 0.000 0.000 0.320 330 F C -0.503 175.438 175.800 0.236 0.000 1.079 330 F CA -0.339 57.789 58.000 0.214 0.000 1.205 330 F CB 0.480 39.589 39.000 0.182 0.000 1.046 330 F HN 0.076 nan 8.300 nan 0.000 0.586 331 L N 2.051 123.014 121.223 -0.433 0.000 2.493 331 L HA 0.692 5.032 4.340 -0.000 0.000 0.265 331 L C -1.710 175.172 176.870 0.021 0.000 0.954 331 L CA -1.047 53.563 54.840 -0.384 0.000 0.844 331 L CB 2.178 43.614 42.059 -1.039 0.000 1.302 331 L HN 0.020 nan 8.230 nan 0.000 0.405 332 V N 3.202 123.214 119.914 0.163 0.000 2.487 332 V HA 0.747 4.867 4.120 -0.000 0.000 0.298 332 V C -0.845 175.367 176.094 0.197 0.000 1.028 332 V CA 0.021 62.446 62.300 0.208 0.000 0.860 332 V CB 1.922 33.858 31.823 0.189 0.000 0.991 332 V HN 0.891 nan 8.190 nan 0.000 0.427 333 S N 5.667 121.475 115.700 0.180 0.000 2.420 333 S HA 0.814 5.284 4.470 -0.000 0.000 0.313 333 S C 0.032 174.706 174.600 0.124 0.000 1.079 333 S CA 0.091 58.410 58.200 0.199 0.000 1.104 333 S CB 0.568 63.900 63.200 0.220 0.000 0.969 333 S HN 1.569 nan 8.310 nan 0.000 0.471 334 A N 4.153 127.018 122.820 0.075 0.000 2.312 334 A HA 0.712 5.032 4.320 -0.000 0.000 0.326 334 A C 0.070 177.647 177.584 -0.011 0.000 1.172 334 A CA -0.573 51.484 52.037 0.034 0.000 0.821 334 A CB 0.767 19.783 19.000 0.026 0.000 1.166 334 A HN 0.659 nan 8.150 nan 0.000 0.493 335 T N 1.984 116.528 114.554 -0.018 0.000 2.758 335 T HA 0.532 4.882 4.350 -0.000 0.000 0.285 335 T C 0.143 174.775 174.700 -0.113 0.000 0.981 335 T CA 0.184 62.248 62.100 -0.060 0.000 0.965 335 T CB 1.253 70.096 68.868 -0.041 0.000 0.927 335 T HN 0.944 nan 8.240 nan 0.000 0.448 336 A N 2.949 125.677 122.820 -0.153 0.000 3.000 336 A HA 0.681 5.001 4.320 -0.000 0.000 0.315 336 A C 0.925 178.135 177.584 -0.623 0.000 1.434 336 A CA -0.272 51.642 52.037 -0.205 0.000 1.108 336 A CB -0.838 18.142 19.000 -0.034 0.000 1.171 336 A HN 1.396 nan 8.150 nan 0.000 0.524 337 G N 1.852 110.025 108.800 -1.046 0.000 2.721 337 G HA2 0.139 4.099 3.960 -0.000 0.000 0.462 337 G HA3 0.139 4.099 3.960 -0.000 0.000 0.462 337 G C -0.132 174.671 174.900 -0.162 0.000 1.062 337 G CA -0.316 44.275 45.100 -0.849 0.000 1.233 337 G HN 1.678 nan 8.290 nan 0.000 0.545 338 T N -0.359 114.123 114.554 -0.120 0.000 2.899 338 T HA 0.552 4.901 4.350 -0.000 0.000 0.295 338 T C 1.671 176.392 174.700 0.034 0.000 1.033 338 T CA 0.687 62.783 62.100 -0.007 0.000 1.084 338 T CB 1.622 70.499 68.868 0.014 0.000 0.979 338 T HN 0.445 nan 8.240 nan 0.000 0.532 339 T N 1.453 115.977 114.554 -0.049 0.000 2.788 339 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 339 T C 1.780 176.407 174.700 -0.121 0.000 1.044 339 T CA 1.354 63.343 62.100 -0.185 0.000 1.139 339 T CB -0.252 68.551 68.868 -0.108 0.000 0.867 339 T HN 0.533 nan 8.240 nan 0.000 0.454 340 V N -0.938 118.987 119.914 0.018 0.000 2.423 340 V HA 0.067 4.187 4.120 -0.000 0.000 0.233 340 V C 1.821 178.135 176.094 0.365 0.000 1.067 340 V CA 0.774 63.165 62.300 0.152 0.000 1.073 340 V CB -0.808 31.109 31.823 0.157 0.000 0.715 340 V HN 0.465 nan 8.190 nan 0.000 0.485 341 Y N 1.059 121.448 120.300 0.148 0.000 2.439 341 Y HA 0.145 4.694 4.550 -0.001 0.000 0.292 341 Y C 2.040 178.031 175.900 0.151 0.000 1.130 341 Y CA 0.327 58.507 58.100 0.133 0.000 1.254 341 Y CB -0.093 38.272 38.460 -0.157 0.000 1.000 341 Y HN 0.548 nan 8.280 nan 0.000 0.554 342 G N 0.849 109.805 108.800 0.261 0.000 2.176 342 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 342 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 342 G C 0.074 175.019 174.900 0.075 0.000 1.024 342 G CA 0.021 45.237 45.100 0.194 0.000 0.755 342 G HN 0.557 nan 8.290 nan 0.000 0.507 343 A N -0.693 122.140 122.820 0.021 0.000 2.351 343 A HA 0.780 5.100 4.320 -0.000 0.000 0.257 343 A C -0.271 177.196 177.584 -0.195 0.000 1.087 343 A CA -0.079 51.955 52.037 -0.005 0.000 0.798 343 A CB 0.494 19.455 19.000 -0.064 0.000 1.033 343 A HN 0.714 nan 8.150 nan 0.000 0.488 344 F N 1.053 120.981 119.950 -0.037 0.000 2.449 344 F HA 0.278 4.805 4.527 0.000 0.000 0.342 344 F C -0.040 175.724 175.800 -0.060 0.000 1.127 344 F CA -0.554 57.406 58.000 -0.068 0.000 0.975 344 F CB 1.637 40.556 39.000 -0.136 0.000 1.146 344 F HN 0.501 nan 8.300 nan 0.000 0.444 345 D N 4.649 125.092 120.400 0.071 0.000 2.382 345 D HA 0.120 4.759 4.640 -0.000 0.000 0.240 345 D C -2.240 174.097 176.300 0.063 0.000 1.146 345 D CA -1.171 52.855 54.000 0.045 0.000 0.897 345 D CB 0.524 41.336 40.800 0.020 0.000 1.197 345 D HN 0.161 nan 8.370 nan 0.000 0.432 346 P HA 0.125 nan 4.420 nan 0.000 0.268 346 P C 0.836 178.158 177.300 0.036 0.000 1.541 346 P CA -0.108 63.020 63.100 0.046 0.000 1.093 346 P CB 0.290 32.016 31.700 0.042 0.000 1.551 347 L N 2.141 123.384 121.223 0.034 0.000 2.083 347 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 347 L C 2.238 179.122 176.870 0.023 0.000 1.083 347 L CA 1.330 56.185 54.840 0.025 0.000 0.752 347 L CB -0.608 41.460 42.059 0.015 0.000 0.899 347 L HN 0.278 nan 8.230 nan 0.000 0.433 348 L N -0.360 120.878 121.223 0.024 0.000 2.141 348 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 348 L C 2.779 179.660 176.870 0.017 0.000 1.094 348 L CA 1.026 55.878 54.840 0.020 0.000 0.763 348 L CB -0.589 41.483 42.059 0.022 0.000 0.908 348 L HN 0.222 nan 8.230 nan 0.000 0.437 349 A N -0.556 122.277 122.820 0.021 0.000 1.903 349 A HA -0.101 4.219 4.320 -0.000 0.000 0.213 349 A C 2.349 179.947 177.584 0.022 0.000 1.185 349 A CA 1.287 53.336 52.037 0.020 0.000 0.628 349 A CB -0.704 18.310 19.000 0.023 0.000 0.830 349 A HN 0.219 nan 8.150 nan 0.000 0.446 350 V N -0.524 119.406 119.914 0.025 0.000 2.427 350 V HA -0.050 4.070 4.120 -0.000 0.000 0.248 350 V C 2.468 178.581 176.094 0.030 0.000 1.051 350 V CA 2.144 64.462 62.300 0.030 0.000 1.048 350 V CB -0.855 30.989 31.823 0.035 0.000 0.666 350 V HN 0.534 nan 8.190 nan 0.000 0.456 351 A N 0.118 122.951 122.820 0.021 0.000 1.908 351 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 351 A C 1.964 179.550 177.584 0.003 0.000 1.181 351 A CA 2.227 54.270 52.037 0.010 0.000 0.627 351 A CB -0.947 18.057 19.000 0.007 0.000 0.818 351 A HN 0.628 nan 8.150 nan 0.000 0.445 352 D N -0.323 120.079 120.400 0.002 0.000 2.144 352 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 352 D C 1.799 178.090 176.300 -0.016 0.000 0.978 352 D CA 1.014 55.007 54.000 -0.012 0.000 0.833 352 D CB -0.255 40.538 40.800 -0.011 0.000 0.961 352 D HN 0.531 nan 8.370 nan 0.000 0.470 353 I N 0.135 120.719 120.570 0.023 0.000 2.353 353 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 353 I C 2.263 178.454 176.117 0.124 0.000 1.119 353 I CA 0.510 61.861 61.300 0.085 0.000 1.417 353 I CB 0.105 38.172 38.000 0.111 0.000 1.078 353 I HN 0.041 nan 8.210 nan 0.000 0.421 354 C N 0.302 119.650 119.300 0.079 0.000 2.450 354 C HA -0.117 4.343 4.460 -0.000 0.000 0.279 354 C C 2.746 177.764 174.990 0.046 0.000 1.335 354 C CA 0.621 59.690 59.018 0.085 0.000 1.749 354 C CB -0.819 26.956 27.740 0.059 0.000 1.963 354 C HN 0.413 nan 8.230 nan 0.000 0.501 355 K N 1.315 121.713 120.400 -0.003 0.000 2.025 355 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 355 K C 2.220 178.775 176.600 -0.075 0.000 1.049 355 K CA 1.366 57.632 56.287 -0.036 0.000 0.933 355 K CB -0.194 32.279 32.500 -0.046 0.000 0.714 355 K HN 0.386 nan 8.250 nan 0.000 0.438 356 K N -0.442 119.869 120.400 -0.148 0.000 2.032 356 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 356 K C 1.383 177.748 176.600 -0.392 0.000 1.048 356 K CA 1.758 57.837 56.287 -0.348 0.000 0.927 356 K CB -0.068 32.088 32.500 -0.574 0.000 0.712 356 K HN 0.190 nan 8.250 nan 0.000 0.441 357 Y N 0.348 120.652 120.300 0.006 0.000 2.457 357 Y HA 0.218 4.767 4.550 -0.001 0.000 0.263 357 Y C -0.292 175.634 175.900 0.043 0.000 1.164 357 Y CA -0.027 58.086 58.100 0.022 0.000 1.274 357 Y CB 0.391 38.859 38.460 0.014 0.000 1.097 357 Y HN -0.008 nan 8.280 nan 0.000 0.523 358 K N 0.723 121.198 120.400 0.125 0.000 3.393 358 K HA -0.187 4.133 4.320 -0.000 0.000 0.272 358 K C -0.977 175.710 176.600 0.145 0.000 1.004 358 K CA 0.465 56.811 56.287 0.098 0.000 0.764 358 K CB -2.174 30.371 32.500 0.075 0.000 1.373 358 K HN 0.316 nan 8.250 nan 0.000 0.458 359 I N 0.070 120.738 120.570 0.162 0.000 2.569 359 I HA 0.288 4.458 4.170 -0.000 0.000 0.296 359 I C 0.639 176.885 176.117 0.215 0.000 1.028 359 I CA -1.016 60.411 61.300 0.211 0.000 1.082 359 I CB 1.088 39.217 38.000 0.215 0.000 1.264 359 I HN 0.173 nan 8.210 nan 0.000 0.429 360 W N 7.385 128.728 121.300 0.073 0.000 2.347 360 W HA 0.071 4.731 4.660 -0.000 0.000 0.333 360 W C -0.710 175.850 176.519 0.070 0.000 1.383 360 W CA 0.031 57.415 57.345 0.066 0.000 1.283 360 W CB 0.749 30.250 29.460 0.069 0.000 1.253 360 W HN 0.474 nan 8.180 nan 0.000 0.563 361 M N 6.945 126.525 119.600 -0.033 0.000 2.088 361 M HA 0.090 4.570 4.480 -0.000 0.000 0.346 361 M C -1.128 175.259 176.300 0.144 0.000 1.111 361 M CA -0.388 54.952 55.300 0.067 0.000 1.017 361 M CB 0.593 33.188 32.600 -0.008 0.000 1.568 361 M HN 0.505 nan 8.290 nan 0.000 0.445 362 H N 3.521 122.741 119.070 0.249 0.000 2.472 362 H HA 0.611 5.167 4.556 0.000 0.000 0.338 362 H C -1.698 173.727 175.328 0.161 0.000 1.133 362 H CA -0.498 55.718 56.048 0.280 0.000 1.216 362 H CB 1.450 31.418 29.762 0.342 0.000 1.497 362 H HN 0.445 nan 8.280 nan 0.000 0.500 363 V N 5.070 124.707 119.914 -0.462 0.000 2.350 363 V HA 0.097 4.217 4.120 -0.000 0.000 0.285 363 V C -0.219 175.518 176.094 -0.596 0.000 1.014 363 V CA -0.913 61.155 62.300 -0.387 0.000 0.831 363 V CB 1.169 32.894 31.823 -0.163 0.000 1.000 363 V HN 0.828 nan 8.190 nan 0.000 0.433 364 D N 4.835 125.010 120.400 -0.375 0.000 2.416 364 D HA 0.302 4.942 4.640 -0.000 0.000 0.240 364 D C 0.662 176.885 176.300 -0.129 0.000 1.250 364 D CA -0.016 53.884 54.000 -0.167 0.000 0.967 364 D CB 1.245 42.032 40.800 -0.022 0.000 1.059 364 D HN 0.643 nan 8.370 nan 0.000 0.512 365 A N 3.297 126.042 122.820 -0.125 0.000 2.610 365 A HA 0.490 4.810 4.320 -0.000 0.000 0.286 365 A C 1.835 179.377 177.584 -0.071 0.000 1.306 365 A CA 0.336 52.287 52.037 -0.144 0.000 0.942 365 A CB -0.019 18.830 19.000 -0.252 0.000 1.112 365 A HN 0.533 nan 8.150 nan 0.000 0.527 366 A N 0.068 122.886 122.820 -0.004 0.000 1.903 366 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 366 A C 1.951 179.616 177.584 0.135 0.000 1.191 366 A CA 1.775 53.838 52.037 0.043 0.000 0.638 366 A CB -0.695 18.274 19.000 -0.052 0.000 0.823 366 A HN 0.927 nan 8.150 nan 0.000 0.451 367 W N -0.504 120.725 121.300 -0.118 0.000 2.644 367 W HA 0.105 4.768 4.660 0.005 0.000 0.279 367 W C 2.000 178.542 176.519 0.038 0.000 1.164 367 W CA 0.589 57.887 57.345 -0.078 0.000 1.457 367 W CB 0.041 29.398 29.460 -0.170 0.000 1.087 367 W HN 0.362 nan 8.180 nan 0.000 0.573 368 G N 0.544 109.275 108.800 -0.114 0.000 2.534 368 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 368 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 368 G C 1.564 176.283 174.900 -0.302 0.000 1.128 368 G CA 0.774 45.759 45.100 -0.191 0.000 0.784 368 G HN 0.393 nan 8.290 nan 0.000 0.542 369 G N 1.116 109.642 108.800 -0.457 0.000 2.475 369 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 369 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 369 G C 1.720 176.036 174.900 -0.973 0.000 1.125 369 G CA 1.278 45.731 45.100 -1.078 0.000 0.755 369 G HN 0.518 nan 8.290 nan 0.000 0.565 370 G N 0.773 109.336 108.800 -0.394 0.000 2.442 370 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 370 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 370 G C 1.572 176.298 174.900 -0.290 0.000 1.141 370 G CA 0.736 45.721 45.100 -0.192 0.000 0.763 370 G HN 0.374 nan 8.290 nan 0.000 0.554 371 L N 0.310 121.292 121.223 -0.402 0.000 2.456 371 L HA 0.141 4.480 4.340 -0.000 0.000 0.224 371 L C 2.550 179.231 176.870 -0.315 0.000 1.148 371 L CA 0.583 55.193 54.840 -0.384 0.000 0.825 371 L CB -0.309 41.451 42.059 -0.498 0.000 0.937 371 L HN 0.183 nan 8.230 nan 0.000 0.450 372 L N -1.359 119.636 121.223 -0.381 0.000 2.376 372 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 372 L C 2.025 178.805 176.870 -0.150 0.000 1.133 372 L CA 0.476 55.119 54.840 -0.328 0.000 0.816 372 L CB -0.311 41.410 42.059 -0.564 0.000 0.933 372 L HN 0.318 nan 8.230 nan 0.000 0.449 373 M N -1.433 118.105 119.600 -0.102 0.000 2.558 373 M HA 0.042 4.522 4.480 -0.000 0.000 0.255 373 M C 1.041 177.342 176.300 0.002 0.000 1.113 373 M CA 0.494 55.792 55.300 -0.003 0.000 1.097 373 M CB -0.579 32.025 32.600 0.007 0.000 1.426 373 M HN 0.060 nan 8.290 nan 0.000 0.488 374 S N 0.489 116.167 115.700 -0.037 0.000 2.448 374 S HA 0.362 4.832 4.470 -0.000 0.000 0.320 374 S C 0.961 175.562 174.600 0.002 0.000 1.071 374 S CA -0.520 57.682 58.200 0.004 0.000 1.113 374 S CB 1.149 64.371 63.200 0.036 0.000 0.972 374 S HN 0.253 nan 8.310 nan 0.000 0.465 375 R N 3.371 123.880 120.500 0.014 0.000 2.127 375 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 375 R C 2.187 178.492 176.300 0.009 0.000 1.134 375 R CA 1.799 57.905 56.100 0.011 0.000 0.975 375 R CB -0.155 30.152 30.300 0.012 0.000 0.865 375 R HN 0.711 nan 8.270 nan 0.000 0.447 376 K N -0.435 119.954 120.400 -0.018 0.000 2.057 376 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 376 K C 1.186 177.709 176.600 -0.128 0.000 1.050 376 K CA 1.364 57.586 56.287 -0.107 0.000 0.935 376 K CB 0.110 32.488 32.500 -0.204 0.000 0.715 376 K HN 0.366 nan 8.250 nan 0.000 0.439 377 H N -0.394 118.658 119.070 -0.031 0.000 2.648 377 H HA 0.034 4.586 4.556 -0.007 0.000 0.265 377 H C 1.511 176.537 175.328 -0.504 0.000 0.961 377 H CA 0.734 56.626 56.048 -0.260 0.000 1.185 377 H CB 0.723 30.282 29.762 -0.337 0.000 1.449 377 H HN 0.232 nan 8.280 nan 0.000 0.523 378 K N 2.056 122.349 120.400 -0.179 0.000 2.280 378 K HA -0.121 4.198 4.320 -0.000 0.000 0.202 378 K C 1.956 178.396 176.600 -0.267 0.000 1.047 378 K CA 1.178 57.319 56.287 -0.243 0.000 0.942 378 K CB -0.889 31.531 32.500 -0.134 0.000 0.739 378 K HN 0.410 nan 8.250 nan 0.000 0.457 379 W N 1.415 122.601 121.300 -0.190 0.000 2.359 379 W HA -0.135 4.521 4.660 -0.007 0.000 0.275 379 W C 0.621 177.005 176.519 -0.224 0.000 1.217 379 W CA 0.957 58.196 57.345 -0.176 0.000 1.196 379 W CB -0.560 28.808 29.460 -0.154 0.000 1.129 379 W HN 0.065 nan 8.180 nan 0.000 0.566 380 K N 0.833 120.522 120.400 -1.185 0.000 2.280 380 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 380 K C 1.429 177.612 176.600 -0.695 0.000 1.047 380 K CA 1.154 56.675 56.287 -1.278 0.000 0.942 380 K CB -0.246 31.099 32.500 -1.926 0.000 0.739 380 K HN 0.136 nan 8.250 nan 0.000 0.457 381 L N 0.508 121.460 121.223 -0.452 0.000 2.818 381 L HA 0.137 4.477 4.340 -0.000 0.000 0.243 381 L C -0.194 176.601 176.870 -0.125 0.000 1.185 381 L CA -0.042 54.668 54.840 -0.217 0.000 0.988 381 L CB 0.748 42.669 42.059 -0.230 0.000 1.292 381 L HN -0.169 nan 8.230 nan 0.000 0.519 382 S N 0.767 116.417 115.700 -0.085 0.000 2.544 382 S HA 0.343 4.813 4.470 -0.000 0.000 0.290 382 S C 1.305 175.902 174.600 -0.005 0.000 1.276 382 S CA 0.858 59.049 58.200 -0.014 0.000 1.075 382 S CB 0.416 63.643 63.200 0.046 0.000 0.849 382 S HN 0.678 nan 8.310 nan 0.000 0.494 383 G N 1.862 110.664 108.800 0.003 0.000 2.218 383 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 383 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 383 G C 0.826 175.740 174.900 0.023 0.000 0.994 383 G CA 0.056 45.166 45.100 0.016 0.000 0.637 383 G HN 0.703 nan 8.290 nan 0.000 0.505 384 V N 2.313 122.226 119.914 -0.003 0.000 2.688 384 V HA -0.097 4.023 4.120 -0.000 0.000 0.256 384 V C 2.706 178.855 176.094 0.092 0.000 1.084 384 V CA 2.951 65.249 62.300 -0.003 0.000 1.103 384 V CB -0.039 31.724 31.823 -0.100 0.000 0.688 384 V HN 0.718 nan 8.190 nan 0.000 0.480 385 E N -0.152 120.110 120.200 0.104 0.000 2.347 385 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 385 E C 1.900 178.684 176.600 0.306 0.000 1.008 385 E CA 0.814 57.365 56.400 0.252 0.000 0.852 385 E CB -0.407 29.388 29.700 0.157 0.000 0.783 385 E HN 0.560 nan 8.360 nan 0.000 0.505 386 R N 0.634 121.226 120.500 0.154 0.000 2.317 386 R HA 0.287 4.627 4.340 -0.000 0.000 0.208 386 R C 0.344 176.656 176.300 0.020 0.000 0.914 386 R CA 0.403 56.539 56.100 0.059 0.000 1.060 386 R CB 0.499 30.812 30.300 0.022 0.000 1.015 386 R HN 0.097 nan 8.270 nan 0.000 0.498 387 A N 0.790 123.681 122.820 0.118 0.000 2.354 387 A HA 0.157 4.477 4.320 -0.000 0.000 0.269 387 A C 0.287 177.835 177.584 -0.060 0.000 1.109 387 A CA -0.465 51.605 52.037 0.056 0.000 0.800 387 A CB 0.415 19.501 19.000 0.144 0.000 1.045 387 A HN 0.209 nan 8.150 nan 0.000 0.489 388 N N 0.319 118.795 118.700 -0.373 0.000 2.270 388 N HA -0.021 4.718 4.740 -0.000 0.000 0.181 388 N C 0.232 175.560 175.510 -0.303 0.000 1.016 388 N CA 1.418 53.997 53.050 -0.785 0.000 0.870 388 N CB 0.036 37.339 38.487 -1.972 0.000 0.979 388 N HN 0.710 nan 8.380 nan 0.000 0.431 389 S N -1.157 114.653 115.700 0.184 0.000 2.564 389 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 389 S C -1.060 173.849 174.600 0.515 0.000 1.124 389 S CA -0.989 57.571 58.200 0.599 0.000 0.869 389 S CB 2.361 66.101 63.200 0.900 0.000 1.105 389 S HN -0.188 nan 8.310 nan 0.000 0.472 390 V N 1.278 121.459 119.914 0.444 0.000 2.760 390 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 390 V C -0.392 175.852 176.094 0.249 0.000 1.077 390 V CA -0.535 61.872 62.300 0.179 0.000 0.910 390 V CB 2.241 34.084 31.823 0.034 0.000 1.008 390 V HN 1.052 nan 8.190 nan 0.000 0.424 391 T N 4.260 118.920 114.554 0.177 0.000 2.829 391 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 391 T C -1.311 173.506 174.700 0.194 0.000 0.990 391 T CA -0.200 62.029 62.100 0.215 0.000 1.028 391 T CB 1.031 70.035 68.868 0.227 0.000 0.951 391 T HN 0.655 nan 8.240 nan 0.000 0.460 392 W N 3.287 124.566 121.300 -0.034 0.000 3.405 392 W HA 0.446 5.102 4.660 -0.008 0.000 0.329 392 W C -1.941 174.531 176.519 -0.078 0.000 1.142 392 W CA -1.253 56.048 57.345 -0.073 0.000 1.235 392 W CB 0.820 30.223 29.460 -0.095 0.000 1.341 392 W HN 0.414 nan 8.180 nan 0.000 0.481 393 N N 7.268 126.157 118.700 0.315 0.000 2.707 393 N HA 0.308 5.048 4.740 -0.000 0.000 0.235 393 N C -1.954 173.539 175.510 -0.029 0.000 1.028 393 N CA -1.850 51.170 53.050 -0.050 0.000 0.906 393 N CB 1.752 40.022 38.487 -0.361 0.000 1.131 393 N HN 0.053 nan 8.380 nan 0.000 0.509 394 P HA -0.152 nan 4.420 nan 0.000 0.223 394 P C 0.303 177.614 177.300 0.018 0.000 1.144 394 P CA 1.096 64.126 63.100 -0.117 0.000 0.783 394 P CB -0.033 31.531 31.700 -0.226 0.000 0.771 398 M N -0.038 119.665 119.600 0.171 0.000 2.556 398 M HA 0.239 4.719 4.480 -0.000 0.000 0.245 398 M C 1.333 177.750 176.300 0.194 0.000 1.128 398 M CA 1.260 56.627 55.300 0.112 0.000 1.069 398 M CB 0.192 32.592 32.600 -0.334 0.000 1.469 398 M HN 0.543 nan 8.290 nan 0.000 0.494 399 G N 0.857 109.771 108.800 0.191 0.000 2.148 399 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 399 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 399 G C 0.054 175.024 174.900 0.116 0.000 0.981 399 G CA -0.111 45.078 45.100 0.147 0.000 0.670 399 G HN 0.316 nan 8.290 nan 0.000 0.528 400 V N 1.670 121.657 119.914 0.122 0.000 2.585 400 V HA 0.273 4.393 4.120 -0.000 0.000 0.296 400 V C -0.982 175.175 176.094 0.104 0.000 1.035 400 V CA -0.817 61.543 62.300 0.100 0.000 1.084 400 V CB 0.791 32.666 31.823 0.087 0.000 0.953 400 V HN 0.178 nan 8.190 nan 0.000 0.483 401 P HA 0.040 nan 4.420 nan 0.000 0.267 401 P C -0.042 177.274 177.300 0.028 0.000 1.201 401 P CA -0.421 62.699 63.100 0.033 0.000 0.775 401 P CB 0.367 32.067 31.700 -0.000 0.000 0.854 402 L N 3.590 124.797 121.223 -0.026 0.000 2.653 402 L HA -0.150 4.189 4.340 -0.000 0.000 0.288 402 L C 0.456 177.243 176.870 -0.138 0.000 1.243 402 L CA 1.294 56.049 54.840 -0.141 0.000 0.906 402 L CB -0.681 41.285 42.059 -0.156 0.000 1.154 402 L HN 0.438 nan 8.230 nan 0.000 0.498 403 Q N 2.845 122.496 119.800 -0.249 0.000 2.330 403 Q HA -0.191 4.149 4.340 -0.000 0.000 0.321 403 Q C -0.990 175.106 176.000 0.159 0.000 1.300 403 Q CA 0.563 56.345 55.803 -0.035 0.000 0.765 403 Q CB -1.638 27.073 28.738 -0.044 0.000 0.998 403 Q HN 0.702 nan 8.270 nan 0.000 0.329 404 C N 2.461 122.003 119.300 0.404 0.000 2.654 404 C HA 0.616 5.076 4.460 -0.000 0.000 0.315 404 C C -0.179 175.038 174.990 0.377 0.000 1.054 404 C CA 0.072 59.283 59.018 0.320 0.000 1.419 404 C CB 1.260 29.118 27.740 0.196 0.000 1.889 404 C HN 0.604 nan 8.230 nan 0.000 0.447 405 S N 3.579 119.518 115.700 0.397 0.000 2.557 405 S HA 0.888 5.358 4.470 -0.000 0.000 0.291 405 S C -0.518 174.222 174.600 0.232 0.000 1.116 405 S CA -0.046 58.300 58.200 0.243 0.000 0.992 405 S CB 1.422 64.750 63.200 0.213 0.000 1.028 405 S HN 1.247 nan 8.310 nan 0.000 0.484 406 A N 3.568 126.411 122.820 0.038 0.000 2.350 406 A HA 0.822 5.142 4.320 -0.000 0.000 0.324 406 A C -1.212 176.388 177.584 0.026 0.000 1.118 406 A CA -0.663 51.279 52.037 -0.159 0.000 0.783 406 A CB 1.252 19.964 19.000 -0.480 0.000 1.236 406 A HN 0.864 nan 8.150 nan 0.000 0.457 407 L N 2.246 123.511 121.223 0.070 0.000 2.307 407 L HA 0.744 5.083 4.340 -0.000 0.000 0.284 407 L C -1.274 175.693 176.870 0.163 0.000 1.023 407 L CA -0.255 54.697 54.840 0.186 0.000 0.810 407 L CB 1.133 43.359 42.059 0.278 0.000 1.231 407 L HN 0.588 nan 8.230 nan 0.000 0.423 408 L N 5.737 127.106 121.223 0.243 0.000 2.341 408 L HA 0.725 5.065 4.340 -0.000 0.000 0.278 408 L C -0.876 176.334 176.870 0.567 0.000 1.005 408 L CA -0.638 54.392 54.840 0.317 0.000 0.818 408 L CB 1.979 44.122 42.059 0.139 0.000 1.259 408 L HN 0.295 nan 8.230 nan 0.000 0.418 409 V N 3.075 123.310 119.914 0.536 0.000 2.588 409 V HA 0.423 4.543 4.120 -0.000 0.000 0.304 409 V C 0.776 176.917 176.094 0.079 0.000 1.042 409 V CA -0.685 61.846 62.300 0.386 0.000 0.877 409 V CB 1.996 34.019 31.823 0.333 0.000 0.996 409 V HN 0.741 nan 8.190 nan 0.000 0.425 410 R N 2.056 122.260 120.500 -0.493 0.000 2.073 410 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 410 R C 0.884 176.965 176.300 -0.365 0.000 1.120 410 R CA 0.724 56.259 56.100 -0.942 0.000 0.967 410 R CB 0.343 29.797 30.300 -1.410 0.000 0.862 410 R HN 0.826 nan 8.270 nan 0.000 0.436 411 E N 2.025 122.111 120.200 -0.191 0.000 2.166 411 E HA 0.006 4.356 4.350 -0.000 0.000 0.279 411 E C -0.907 175.714 176.600 0.035 0.000 1.095 411 E CA -0.005 56.363 56.400 -0.054 0.000 0.888 411 E CB 0.486 30.196 29.700 0.017 0.000 1.041 411 E HN 0.160 nan 8.360 nan 0.000 0.414 412 E N 2.229 122.447 120.200 0.030 0.000 2.392 412 E HA 0.181 4.531 4.350 -0.000 0.000 0.264 412 E C 0.883 177.527 176.600 0.073 0.000 1.024 412 E CA 0.532 56.971 56.400 0.065 0.000 0.903 412 E CB 0.888 30.626 29.700 0.063 0.000 0.963 412 E HN 0.893 nan 8.360 nan 0.000 0.432 413 G N 2.200 111.047 108.800 0.079 0.000 2.284 413 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.247 413 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.247 413 G C 0.822 175.776 174.900 0.090 0.000 1.012 413 G CA 0.324 45.468 45.100 0.074 0.000 0.618 413 G HN 0.535 nan 8.290 nan 0.000 0.521 414 L N 0.199 121.495 121.223 0.122 0.000 1.989 414 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 414 L C 3.162 180.078 176.870 0.077 0.000 1.071 414 L CA 2.437 57.378 54.840 0.170 0.000 0.749 414 L CB -0.365 41.835 42.059 0.236 0.000 0.890 414 L HN 0.482 nan 8.230 nan 0.000 0.431 415 M N -1.140 118.489 119.600 0.048 0.000 2.080 415 M HA -0.311 4.169 4.480 -0.000 0.000 0.260 415 M C 2.284 178.522 176.300 -0.103 0.000 1.068 415 M CA 2.064 57.342 55.300 -0.037 0.000 1.109 415 M CB -0.356 32.241 32.600 -0.005 0.000 1.342 415 M HN 0.294 nan 8.290 nan 0.000 0.405 416 Q N 0.803 120.573 119.800 -0.050 0.000 2.050 416 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 416 Q C 1.444 177.380 176.000 -0.106 0.000 0.980 416 Q CA 2.002 57.769 55.803 -0.059 0.000 0.840 416 Q CB -0.287 28.445 28.738 -0.010 0.000 0.898 416 Q HN 0.528 nan 8.270 nan 0.000 0.424 417 N N -0.794 117.861 118.700 -0.076 0.000 2.061 417 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 417 N C 1.977 177.197 175.510 -0.483 0.000 1.030 417 N CA 1.178 54.180 53.050 -0.080 0.000 0.856 417 N CB -0.314 38.275 38.487 0.170 0.000 1.023 417 N HN 0.417 nan 8.380 nan 0.000 0.424 418 C N 1.555 120.342 119.300 -0.855 0.000 2.413 418 C HA -0.046 4.414 4.460 -0.000 0.000 0.277 418 C C 2.258 176.863 174.990 -0.642 0.000 1.228 418 C CA 0.838 59.036 59.018 -1.367 0.000 1.731 418 C CB -1.200 26.043 27.740 -0.829 0.000 2.042 418 C HN 0.454 nan 8.230 nan 0.000 0.468 419 N N 0.555 119.033 118.700 -0.370 0.000 2.415 419 N HA -0.006 4.734 4.740 -0.000 0.000 0.176 419 N C 0.560 175.979 175.510 -0.152 0.000 1.042 419 N CA 0.205 53.118 53.050 -0.227 0.000 0.902 419 N CB -0.362 38.006 38.487 -0.199 0.000 0.986 419 N HN 0.806 nan 8.380 nan 0.000 0.447 420 Q N 0.260 119.977 119.800 -0.137 0.000 2.361 420 Q HA 0.044 4.383 4.340 -0.000 0.000 0.276 420 Q C 0.644 176.606 176.000 -0.064 0.000 1.022 420 Q CA 0.209 55.965 55.803 -0.079 0.000 0.898 420 Q CB 0.866 29.570 28.738 -0.057 0.000 1.246 420 Q HN -0.059 nan 8.270 nan 0.000 0.410 421 M N 0.762 120.337 119.600 -0.042 0.000 2.534 421 M HA 0.099 4.578 4.480 -0.000 0.000 0.263 421 M C 0.825 177.116 176.300 -0.015 0.000 1.152 421 M CA 1.363 56.647 55.300 -0.027 0.000 1.145 421 M CB -0.798 31.788 32.600 -0.023 0.000 1.333 421 M HN 0.918 nan 8.290 nan 0.000 0.477 435 L N 1.957 123.148 121.223 -0.053 0.000 2.551 435 L HA 0.375 4.715 4.340 -0.000 0.000 0.228 435 L C 2.449 179.305 176.870 -0.023 0.000 1.153 435 L CA 1.908 56.732 54.840 -0.026 0.000 0.851 435 L CB -1.621 40.430 42.059 -0.014 0.000 0.959 435 L HN 0.630 nan 8.230 nan 0.000 0.451 436 S N -1.370 114.302 115.700 -0.047 0.000 2.465 436 S HA -0.077 4.392 4.470 -0.000 0.000 0.241 436 S C 1.987 176.569 174.600 -0.029 0.000 1.000 436 S CA 1.727 59.902 58.200 -0.042 0.000 0.964 436 S CB -0.977 62.180 63.200 -0.072 0.000 0.763 436 S HN 1.523 nan 8.310 nan 0.000 0.512 437 Y N 0.681 120.963 120.300 -0.031 0.000 2.490 437 Y HA 0.381 4.931 4.550 -0.000 0.000 0.281 437 Y C -0.153 175.809 175.900 0.103 0.000 1.174 437 Y CA -0.111 58.006 58.100 0.028 0.000 1.295 437 Y CB -0.181 38.275 38.460 -0.007 0.000 1.062 437 Y HN 0.388 nan 8.280 nan 0.000 0.522 438 D N 0.235 120.681 120.400 0.077 0.000 2.505 438 D HA 0.422 5.062 4.640 -0.000 0.000 0.250 438 D C 0.813 177.149 176.300 0.060 0.000 1.164 438 D CA 0.654 54.709 54.000 0.092 0.000 0.870 438 D CB 0.950 41.803 40.800 0.088 0.000 1.160 438 D HN 0.445 nan 8.370 nan 0.000 0.549 439 T N -1.262 113.331 114.554 0.064 0.000 10.301 439 T HA -0.242 4.108 4.350 -0.000 0.000 0.350 439 T C 1.737 176.496 174.700 0.098 0.000 1.876 439 T CA 1.040 63.195 62.100 0.091 0.000 3.071 439 T CB -1.684 67.259 68.868 0.125 0.000 2.143 439 T HN 0.501 nan 8.240 nan 0.000 0.724 440 G N 1.244 110.107 108.800 0.104 0.000 2.422 440 G HA2 0.024 3.983 3.960 -0.000 0.000 0.218 440 G HA3 0.024 3.983 3.960 -0.000 0.000 0.218 440 G C 0.887 175.821 174.900 0.056 0.000 1.146 440 G CA 1.228 46.397 45.100 0.116 0.000 0.769 440 G HN 0.658 nan 8.290 nan 0.000 0.547 441 D N -0.695 119.715 120.400 0.017 0.000 2.395 441 D HA 0.162 4.801 4.640 -0.000 0.000 0.226 441 D C 1.762 178.036 176.300 -0.043 0.000 1.146 441 D CA 0.040 54.029 54.000 -0.018 0.000 0.830 441 D CB 0.450 41.233 40.800 -0.028 0.000 0.958 441 D HN 0.310 nan 8.370 nan 0.000 0.501 442 K N -0.307 120.075 120.400 -0.030 0.000 2.262 442 K HA 0.208 4.528 4.320 -0.000 0.000 0.200 442 K C 0.648 177.159 176.600 -0.148 0.000 1.049 442 K CA 0.222 56.472 56.287 -0.063 0.000 0.979 442 K CB 0.551 33.044 32.500 -0.011 0.000 0.773 442 K HN 0.071 nan 8.250 nan 0.000 0.474 443 A N 0.012 122.749 122.820 -0.137 0.000 2.389 443 A HA 0.387 4.707 4.320 -0.000 0.000 0.293 443 A C 0.641 178.134 177.584 -0.152 0.000 1.186 443 A CA -0.672 51.204 52.037 -0.269 0.000 0.828 443 A CB 0.644 19.539 19.000 -0.174 0.000 1.369 443 A HN 0.120 nan 8.150 nan 0.000 0.446 444 L N -0.358 120.795 121.223 -0.117 0.000 2.072 444 L HA -0.053 4.286 4.340 -0.000 0.000 0.205 444 L C 1.303 178.238 176.870 0.108 0.000 1.079 444 L CA 0.860 55.739 54.840 0.065 0.000 0.752 444 L CB -0.237 41.963 42.059 0.236 0.000 0.906 444 L HN 0.720 nan 8.230 nan 0.000 0.436 445 Q N -1.552 118.344 119.800 0.160 0.000 2.479 445 Q HA -0.109 4.231 4.340 -0.000 0.000 0.267 445 Q C 0.585 176.673 176.000 0.147 0.000 1.071 445 Q CA 0.079 55.975 55.803 0.156 0.000 0.935 445 Q CB 1.439 30.284 28.738 0.179 0.000 1.295 445 Q HN 0.386 nan 8.270 nan 0.000 0.476 446 C N 1.094 120.495 119.300 0.170 0.000 3.587 446 C HA 0.366 4.826 4.460 -0.000 0.000 0.192 446 C C 1.079 176.301 174.990 0.387 0.000 2.277 446 C CA 0.608 59.771 59.018 0.241 0.000 1.183 446 C CB -0.421 27.425 27.740 0.177 0.000 1.517 446 C HN 0.982 nan 8.230 nan 0.000 0.705 447 G N 1.320 110.309 108.800 0.314 0.000 2.321 447 G HA2 0.379 4.339 3.960 -0.000 0.000 0.237 447 G HA3 0.379 4.339 3.960 -0.000 0.000 0.237 447 G C -0.371 174.569 174.900 0.066 0.000 1.282 447 G CA 0.210 45.391 45.100 0.136 0.000 0.886 447 G HN 0.894 nan 8.290 nan 0.000 0.528 448 R N 0.953 121.422 120.500 -0.050 0.000 2.522 448 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 448 R C -0.871 175.408 176.300 -0.034 0.000 1.074 448 R CA -0.870 55.237 56.100 0.013 0.000 0.925 448 R CB 1.220 31.553 30.300 0.055 0.000 1.205 448 R HN 0.814 nan 8.270 nan 0.000 0.436 449 H N 2.333 121.365 119.070 -0.064 0.000 2.652 449 H HA 0.233 4.789 4.556 -0.001 0.000 0.349 449 H C -0.581 174.665 175.328 -0.136 0.000 1.099 449 H CA 0.032 56.020 56.048 -0.100 0.000 1.417 449 H CB 1.091 30.812 29.762 -0.069 0.000 1.457 449 H HN 0.248 nan 8.280 nan 0.000 0.568 450 V N 5.972 125.373 119.914 -0.855 0.000 2.415 450 V HA 0.003 4.123 4.120 -0.000 0.000 0.267 450 V C 0.171 175.921 176.094 -0.573 0.000 1.042 450 V CA 0.396 62.268 62.300 -0.713 0.000 1.000 450 V CB 0.647 31.883 31.823 -0.978 0.000 1.015 450 V HN 0.894 nan 8.190 nan 0.000 0.478 451 D N 3.155 123.355 120.400 -0.333 0.000 2.454 451 D HA 0.023 4.663 4.640 -0.000 0.000 0.214 451 D C 1.851 177.893 176.300 -0.430 0.000 1.088 451 D CA 0.340 54.187 54.000 -0.254 0.000 0.855 451 D CB 0.991 41.684 40.800 -0.179 0.000 1.025 451 D HN 0.389 nan 8.370 nan 0.000 0.502 452 V N 0.671 120.259 119.914 -0.544 0.000 2.343 452 V HA -0.230 3.889 4.120 -0.000 0.000 0.247 452 V C 2.017 178.106 176.094 -0.008 0.000 1.051 452 V CA 1.415 63.460 62.300 -0.426 0.000 1.036 452 V CB -0.443 31.270 31.823 -0.183 0.000 0.654 452 V HN 0.048 nan 8.190 nan 0.000 0.451 453 F N 2.138 122.033 119.950 -0.092 0.000 2.171 453 F HA -0.169 4.361 4.527 0.005 0.000 0.300 453 F C 2.409 178.315 175.800 0.177 0.000 1.090 453 F CA 2.307 60.378 58.000 0.118 0.000 1.293 453 F CB -0.381 38.673 39.000 0.089 0.000 1.013 453 F HN 0.318 nan 8.300 nan 0.000 0.486 454 K N -0.264 120.164 120.400 0.047 0.000 2.097 454 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 454 K C 2.011 178.611 176.600 0.001 0.000 1.050 454 K CA 1.702 57.978 56.287 -0.018 0.000 0.938 454 K CB -1.026 31.489 32.500 0.025 0.000 0.718 454 K HN 0.382 nan 8.250 nan 0.000 0.442 455 L N 0.660 121.916 121.223 0.055 0.000 2.027 455 L HA -0.024 4.315 4.340 -0.000 0.000 0.206 455 L C 2.288 179.332 176.870 0.291 0.000 1.074 455 L CA 1.532 56.470 54.840 0.163 0.000 0.745 455 L CB -0.815 41.344 42.059 0.167 0.000 0.898 455 L HN 0.403 nan 8.230 nan 0.000 0.433 456 W N -0.383 120.955 121.300 0.065 0.000 2.355 456 W HA -0.241 4.426 4.660 0.012 0.000 0.309 456 W C 2.307 178.802 176.519 -0.039 0.000 1.206 456 W CA 1.836 59.220 57.345 0.065 0.000 1.284 456 W CB -0.293 29.185 29.460 0.030 0.000 1.145 456 W HN 0.233 nan 8.180 nan 0.000 0.502 457 L N 0.687 121.804 121.223 -0.177 0.000 2.017 457 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 457 L C 2.503 179.207 176.870 -0.276 0.000 1.073 457 L CA 2.231 56.828 54.840 -0.403 0.000 0.745 457 L CB -0.986 40.750 42.059 -0.537 0.000 0.894 457 L HN 0.059 nan 8.230 nan 0.000 0.432 458 M N -2.570 116.951 119.600 -0.131 0.000 2.080 458 M HA -0.303 4.176 4.480 -0.000 0.000 0.260 458 M C 2.147 178.381 176.300 -0.110 0.000 1.068 458 M CA 1.952 57.200 55.300 -0.087 0.000 1.109 458 M CB -0.728 31.908 32.600 0.061 0.000 1.342 458 M HN 0.444 nan 8.290 nan 0.000 0.405 459 W N 1.153 122.402 121.300 -0.085 0.000 2.342 459 W HA -0.190 4.468 4.660 -0.003 0.000 0.297 459 W C 2.408 178.743 176.519 -0.306 0.000 1.213 459 W CA 1.632 58.946 57.345 -0.053 0.000 1.251 459 W CB -0.558 28.946 29.460 0.072 0.000 1.136 459 W HN 0.151 nan 8.180 nan 0.000 0.526 460 R N 0.294 120.655 120.500 -0.230 0.000 2.066 460 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 460 R C 2.491 178.649 176.300 -0.237 0.000 1.131 460 R CA 2.213 58.084 56.100 -0.382 0.000 0.955 460 R CB -1.103 28.748 30.300 -0.747 0.000 0.851 460 R HN 0.022 nan 8.270 nan 0.000 0.432 461 A N -0.136 122.542 122.820 -0.236 0.000 2.014 461 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 461 A C 1.657 179.117 177.584 -0.207 0.000 1.163 461 A CA 1.352 53.272 52.037 -0.195 0.000 0.652 461 A CB -0.088 18.802 19.000 -0.183 0.000 0.808 461 A HN 0.250 nan 8.150 nan 0.000 0.449 462 K N -1.843 118.387 120.400 -0.285 0.000 2.365 462 K HA 0.365 4.685 4.320 -0.000 0.000 0.195 462 K C 0.874 177.317 176.600 -0.262 0.000 1.079 462 K CA 0.426 56.496 56.287 -0.362 0.000 0.979 462 K CB 0.274 32.340 32.500 -0.724 0.000 0.929 462 K HN 0.587 nan 8.250 nan 0.000 0.523 463 G N 0.837 109.549 108.800 -0.147 0.000 2.856 463 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.674 463 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.674 463 G C 0.563 175.492 174.900 0.048 0.000 1.519 463 G CA -0.139 44.983 45.100 0.037 0.000 0.940 463 G HN 0.082 nan 8.290 nan 0.000 0.564 464 T N 0.887 115.613 114.554 0.288 0.000 2.759 464 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 464 T C 2.885 177.662 174.700 0.128 0.000 1.042 464 T CA 3.404 65.678 62.100 0.290 0.000 1.140 464 T CB -0.670 68.436 68.868 0.397 0.000 0.864 464 T HN 1.448 nan 8.240 nan 0.000 0.455 465 T N 0.307 114.906 114.554 0.075 0.000 2.759 465 T HA -0.053 4.296 4.350 -0.000 0.000 0.269 465 T C 2.253 176.948 174.700 -0.007 0.000 1.042 465 T CA 1.329 63.449 62.100 0.034 0.000 1.140 465 T CB -1.058 67.822 68.868 0.020 0.000 0.864 465 T HN 0.415 nan 8.240 nan 0.000 0.455 466 G N 0.468 109.214 108.800 -0.090 0.000 2.421 466 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.216 466 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.216 466 G C 1.301 176.125 174.900 -0.125 0.000 1.171 466 G CA 0.397 45.395 45.100 -0.170 0.000 0.775 466 G HN 0.542 nan 8.290 nan 0.000 0.543 467 F N 0.773 120.677 119.950 -0.077 0.000 2.134 467 F HA -0.010 4.520 4.527 0.005 0.000 0.299 467 F C 2.646 178.436 175.800 -0.017 0.000 1.097 467 F CA 1.313 59.272 58.000 -0.068 0.000 1.264 467 F CB -0.037 38.829 39.000 -0.223 0.000 1.001 467 F HN 0.202 nan 8.300 nan 0.000 0.479 468 E N 0.742 121.035 120.200 0.156 0.000 2.049 468 E HA -0.304 4.046 4.350 -0.000 0.000 0.198 468 E C 2.322 178.959 176.600 0.062 0.000 1.007 468 E CA 1.342 57.792 56.400 0.083 0.000 0.809 468 E CB -0.232 29.507 29.700 0.065 0.000 0.749 468 E HN 0.345 nan 8.360 nan 0.000 0.450 469 A N 0.274 123.131 122.820 0.061 0.000 1.933 469 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 469 A C 1.977 179.605 177.584 0.073 0.000 1.175 469 A CA 2.014 54.082 52.037 0.052 0.000 0.628 469 A CB -0.912 18.109 19.000 0.034 0.000 0.814 469 A HN 0.564 nan 8.150 nan 0.000 0.444 470 H N -0.269 118.810 119.070 0.015 0.000 2.326 470 H HA -0.054 4.495 4.556 -0.010 0.000 0.301 470 H C 1.793 177.135 175.328 0.023 0.000 1.081 470 H CA 1.963 58.027 56.048 0.027 0.000 1.334 470 H CB -0.503 29.289 29.762 0.050 0.000 1.385 470 H HN 0.077 nan 8.280 nan 0.000 0.504 471 V N 1.188 120.950 119.914 -0.254 0.000 2.324 471 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 471 V C 1.907 177.840 176.094 -0.268 0.000 1.060 471 V CA 2.337 64.439 62.300 -0.330 0.000 1.042 471 V CB -0.500 31.206 31.823 -0.194 0.000 0.650 471 V HN 0.529 nan 8.190 nan 0.000 0.450 472 D N -0.578 119.751 120.400 -0.120 0.000 2.178 472 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 472 D C 2.232 178.508 176.300 -0.040 0.000 0.974 472 D CA 1.262 55.239 54.000 -0.038 0.000 0.841 472 D CB -0.283 40.552 40.800 0.058 0.000 0.953 472 D HN 0.322 nan 8.370 nan 0.000 0.478 473 K N 0.186 120.558 120.400 -0.048 0.000 2.057 473 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 473 K C 2.271 178.842 176.600 -0.048 0.000 1.049 473 K CA 1.063 57.339 56.287 -0.018 0.000 0.931 473 K CB -0.968 31.551 32.500 0.031 0.000 0.714 473 K HN 0.365 nan 8.250 nan 0.000 0.440 474 C N 0.422 119.653 119.300 -0.115 0.000 2.432 474 C HA 0.082 4.541 4.460 -0.000 0.000 0.277 474 C C 2.607 177.559 174.990 -0.063 0.000 1.249 474 C CA 0.927 59.897 59.018 -0.080 0.000 1.725 474 C CB -1.148 26.506 27.740 -0.145 0.000 2.028 474 C HN 0.524 nan 8.230 nan 0.000 0.477 475 L N 0.827 121.966 121.223 -0.140 0.000 2.093 475 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 475 L C 2.910 179.765 176.870 -0.024 0.000 1.085 475 L CA 1.830 56.577 54.840 -0.155 0.000 0.755 475 L CB -0.668 41.122 42.059 -0.449 0.000 0.904 475 L HN 0.436 nan 8.230 nan 0.000 0.435 476 E N 0.344 120.554 120.200 0.017 0.000 2.106 476 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 476 E C 2.094 178.751 176.600 0.095 0.000 0.984 476 E CA 1.042 57.492 56.400 0.082 0.000 0.806 476 E CB -0.371 29.382 29.700 0.088 0.000 0.750 476 E HN 0.420 nan 8.360 nan 0.000 0.458 477 L N 0.599 121.837 121.223 0.024 0.000 2.083 477 L HA 0.133 4.473 4.340 -0.000 0.000 0.209 477 L C 2.544 179.475 176.870 0.101 0.000 1.083 477 L CA 2.237 57.080 54.840 0.006 0.000 0.752 477 L CB -1.027 40.989 42.059 -0.071 0.000 0.899 477 L HN 0.359 nan 8.230 nan 0.000 0.433 478 A N -1.018 121.847 122.820 0.076 0.000 1.933 478 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 478 A C 2.314 179.969 177.584 0.118 0.000 1.175 478 A CA 1.673 53.761 52.037 0.085 0.000 0.628 478 A CB -0.639 18.410 19.000 0.081 0.000 0.814 478 A HN 0.601 nan 8.150 nan 0.000 0.444 479 E N -1.484 118.797 120.200 0.135 0.000 2.077 479 E HA -0.247 4.102 4.350 -0.000 0.000 0.193 479 E C 1.812 178.535 176.600 0.205 0.000 0.989 479 E CA 1.376 57.885 56.400 0.181 0.000 0.800 479 E CB -0.344 29.455 29.700 0.165 0.000 0.746 479 E HN 0.748 nan 8.360 nan 0.000 0.452 480 Y N 0.972 121.320 120.300 0.080 0.000 2.224 480 Y HA -0.204 4.348 4.550 0.003 0.000 0.289 480 Y C 2.103 178.008 175.900 0.008 0.000 1.146 480 Y CA 1.485 59.628 58.100 0.073 0.000 1.182 480 Y CB -0.043 38.500 38.460 0.138 0.000 0.983 480 Y HN 0.102 nan 8.280 nan 0.000 0.524 481 L N -0.730 120.456 121.223 -0.062 0.000 2.005 481 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 481 L C 2.377 179.121 176.870 -0.210 0.000 1.072 481 L CA 1.958 56.670 54.840 -0.213 0.000 0.744 481 L CB -0.742 41.252 42.059 -0.109 0.000 0.895 481 L HN 0.417 nan 8.230 nan 0.000 0.433 482 Y N 1.136 121.333 120.300 -0.173 0.000 2.151 482 Y HA -0.349 4.200 4.550 -0.001 0.000 0.284 482 Y C 2.214 178.009 175.900 -0.175 0.000 1.166 482 Y CA 2.493 60.500 58.100 -0.155 0.000 1.163 482 Y CB -0.291 38.123 38.460 -0.077 0.000 0.974 482 Y HN 0.355 nan 8.280 nan 0.000 0.511 483 N N -0.060 118.515 118.700 -0.208 0.000 2.309 483 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 483 N C 1.647 176.957 175.510 -0.334 0.000 1.018 483 N CA 1.232 54.115 53.050 -0.279 0.000 0.876 483 N CB -0.064 38.363 38.487 -0.100 0.000 0.972 483 N HN 0.378 nan 8.380 nan 0.000 0.434 484 I N 1.074 121.402 120.570 -0.403 0.000 2.235 484 I HA -0.174 3.996 4.170 -0.000 0.000 0.241 484 I C 2.184 178.043 176.117 -0.431 0.000 1.085 484 I CA 0.928 61.972 61.300 -0.426 0.000 1.378 484 I CB -0.230 37.442 38.000 -0.546 0.000 1.076 484 I HN 0.162 nan 8.210 nan 0.000 0.415 485 I N -1.059 119.194 120.570 -0.528 0.000 2.546 485 I HA -0.162 4.008 4.170 -0.000 0.000 0.255 485 I C 2.452 178.364 176.117 -0.342 0.000 1.163 485 I CA 1.220 62.171 61.300 -0.582 0.000 1.457 485 I CB -0.550 36.953 38.000 -0.828 0.000 1.092 485 I HN 0.083 nan 8.210 nan 0.000 0.434 486 K N 1.961 122.113 120.400 -0.414 0.000 2.113 486 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 486 K C 0.937 177.396 176.600 -0.234 0.000 1.047 486 K CA 2.304 58.354 56.287 -0.395 0.000 0.928 486 K CB -0.188 31.897 32.500 -0.691 0.000 0.716 486 K HN 0.536 nan 8.250 nan 0.000 0.446 487 N N -0.336 118.231 118.700 -0.221 0.000 2.238 487 N HA 0.069 4.808 4.740 -0.000 0.000 0.222 487 N C -0.645 174.805 175.510 -0.099 0.000 1.133 487 N CA -0.242 52.724 53.050 -0.140 0.000 0.854 487 N CB 0.787 39.193 38.487 -0.136 0.000 1.041 487 N HN -0.022 nan 8.380 nan 0.000 0.510 488 R N 2.112 122.557 120.500 -0.092 0.000 2.393 488 R HA 0.098 4.437 4.340 -0.000 0.000 0.310 488 R C -0.293 176.076 176.300 0.114 0.000 0.968 488 R CA -0.667 55.423 56.100 -0.017 0.000 0.867 488 R CB 0.767 31.005 30.300 -0.103 0.000 1.124 488 R HN 0.187 nan 8.270 nan 0.000 0.450 489 E N 3.233 123.493 120.200 0.099 0.000 2.415 489 E HA 0.051 4.401 4.350 -0.000 0.000 0.263 489 E C 0.408 177.090 176.600 0.138 0.000 0.995 489 E CA 0.825 57.278 56.400 0.089 0.000 0.915 489 E CB 0.857 30.585 29.700 0.046 0.000 0.951 489 E HN 0.869 nan 8.360 nan 0.000 0.449 490 G N 2.836 111.650 108.800 0.023 0.000 2.195 490 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.224 490 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.224 490 G C -0.466 174.290 174.900 -0.240 0.000 0.990 490 G CA 0.048 45.028 45.100 -0.200 0.000 0.639 490 G HN 0.517 nan 8.290 nan 0.000 0.514 491 Y N 1.154 121.495 120.300 0.069 0.000 2.328 491 Y HA 0.647 5.198 4.550 0.001 0.000 0.333 491 Y C 0.182 176.152 175.900 0.117 0.000 0.958 491 Y CA -0.741 57.440 58.100 0.136 0.000 1.167 491 Y CB 1.687 40.159 38.460 0.021 0.000 1.151 491 Y HN 0.179 nan 8.280 nan 0.000 0.470 492 E N 4.282 124.694 120.200 0.353 0.000 2.176 492 E HA 0.385 4.735 4.350 -0.000 0.000 0.267 492 E C -0.840 175.973 176.600 0.354 0.000 0.893 492 E CA -1.002 55.585 56.400 0.312 0.000 0.761 492 E CB 0.931 30.820 29.700 0.314 0.000 1.133 492 E HN 0.516 nan 8.360 nan 0.000 0.409 493 M N 3.248 122.954 119.600 0.177 0.000 2.248 493 M HA 0.029 4.509 4.480 -0.000 0.000 0.337 493 M C 1.070 177.341 176.300 -0.047 0.000 1.121 493 M CA 0.137 55.454 55.300 0.029 0.000 1.155 493 M CB 0.938 33.495 32.600 -0.072 0.000 1.514 493 M HN 0.449 nan 8.290 nan 0.000 0.452 494 V N 2.794 122.494 119.914 -0.355 0.000 2.591 494 V HA -0.066 4.054 4.120 -0.000 0.000 0.249 494 V C 0.277 176.280 176.094 -0.152 0.000 1.053 494 V CA 1.333 63.283 62.300 -0.584 0.000 1.068 494 V CB -0.488 30.634 31.823 -1.169 0.000 0.689 494 V HN 0.794 nan 8.190 nan 0.000 0.462 495 F N -2.530 117.258 119.950 -0.271 0.000 2.626 495 F HA 0.639 5.165 4.527 -0.002 0.000 0.311 495 F C -0.961 174.800 175.800 -0.065 0.000 1.088 495 F CA -1.700 56.208 58.000 -0.152 0.000 0.949 495 F CB 0.983 39.823 39.000 -0.268 0.000 1.322 495 F HN -0.278 nan 8.300 nan 0.000 0.461 496 D N 0.833 121.291 120.400 0.098 0.000 2.264 496 D HA 0.521 5.161 4.640 -0.000 0.000 0.250 496 D C -0.082 176.304 176.300 0.143 0.000 1.113 496 D CA 0.782 54.807 54.000 0.042 0.000 0.871 496 D CB 1.523 42.375 40.800 0.087 0.000 1.167 496 D HN 1.193 nan 8.370 nan 0.000 0.447 497 G N 2.436 111.260 108.800 0.041 0.000 2.634 497 G HA2 0.070 4.030 3.960 -0.000 0.000 0.568 497 G HA3 0.070 4.030 3.960 -0.000 0.000 0.568 497 G C -0.849 174.023 174.900 -0.048 0.000 1.495 497 G CA -0.882 44.285 45.100 0.113 0.000 0.903 497 G HN 0.548 nan 8.290 nan 0.000 0.646 498 K N 2.156 122.507 120.400 -0.082 0.000 2.382 498 K HA 0.618 4.938 4.320 -0.000 0.000 0.275 498 K C -2.193 174.234 176.600 -0.289 0.000 1.009 498 K CA -1.095 54.931 56.287 -0.436 0.000 0.970 498 K CB 0.120 32.476 32.500 -0.240 0.000 0.934 498 K HN 0.289 nan 8.250 nan 0.000 0.479 499 P HA -0.071 nan 4.420 nan 0.000 0.266 499 P C -0.205 177.112 177.300 0.029 0.000 1.186 499 P CA -0.042 62.996 63.100 -0.104 0.000 0.767 499 P CB 0.466 32.072 31.700 -0.157 0.000 0.820 500 Q N 0.214 120.118 119.800 0.174 0.000 2.384 500 Q HA 0.030 4.370 4.340 -0.000 0.000 0.207 500 Q C -0.506 175.538 176.000 0.074 0.000 0.904 500 Q CA 0.372 56.284 55.803 0.182 0.000 0.933 500 Q CB 0.187 29.136 28.738 0.352 0.000 1.077 500 Q HN 0.528 nan 8.270 nan 0.000 0.522 501 H N -1.516 117.553 119.070 -0.001 0.000 5.132 501 H HA -0.096 4.461 4.556 0.002 0.000 0.703 501 H C 0.436 175.773 175.328 0.016 0.000 1.871 501 H CA 0.662 56.725 56.048 0.024 0.000 1.724 501 H CB -0.390 29.433 29.762 0.101 0.000 3.996 501 H HN 0.283 nan 8.280 nan 0.000 0.609 502 T N -0.809 114.023 114.554 0.463 0.000 3.113 502 T HA 0.019 4.369 4.350 -0.000 0.000 0.256 502 T C 0.517 175.387 174.700 0.283 0.000 1.131 502 T CA 0.423 62.698 62.100 0.292 0.000 1.074 502 T CB -0.101 68.944 68.868 0.295 0.000 0.944 502 T HN 0.372 nan 8.240 nan 0.000 0.516 503 N N 1.745 120.635 118.700 0.316 0.000 2.452 503 N HA 0.378 5.118 4.740 -0.000 0.000 0.266 503 N C -1.162 174.480 175.510 0.221 0.000 1.209 503 N CA -0.117 53.090 53.050 0.260 0.000 0.929 503 N CB 1.145 39.797 38.487 0.274 0.000 1.063 503 N HN 0.160 nan 8.380 nan 0.000 0.472 504 V N 2.440 122.484 119.914 0.216 0.000 2.407 504 V HA 0.305 4.425 4.120 -0.000 0.000 0.291 504 V C -0.365 175.920 176.094 0.320 0.000 1.018 504 V CA -0.838 61.603 62.300 0.234 0.000 0.842 504 V CB 1.133 33.094 31.823 0.229 0.000 0.996 504 V HN 0.712 nan 8.190 nan 0.000 0.426 505 C N 6.827 126.268 119.300 0.235 0.000 2.281 505 C HA 0.878 5.338 4.460 -0.000 0.000 0.325 505 C C -0.180 174.873 174.990 0.105 0.000 1.282 505 C CA -0.755 58.377 59.018 0.189 0.000 1.640 505 C CB -0.689 27.132 27.740 0.135 0.000 2.288 505 C HN 0.856 nan 8.230 nan 0.000 0.507 506 F N 0.367 120.352 119.950 0.059 0.000 2.668 506 F HA 0.758 5.284 4.527 -0.001 0.000 0.309 506 F C -1.427 174.451 175.800 0.129 0.000 1.117 506 F CA -1.535 56.490 58.000 0.042 0.000 0.951 506 F CB 0.834 39.969 39.000 0.226 0.000 1.323 506 F HN 0.458 nan 8.300 nan 0.000 0.451 507 W N 1.864 123.475 121.300 0.518 0.000 2.570 507 W HA 0.405 5.066 4.660 0.001 0.000 0.337 507 W C -1.330 175.505 176.519 0.525 0.000 1.067 507 W CA -1.216 56.378 57.345 0.414 0.000 1.229 507 W CB 1.709 31.289 29.460 0.200 0.000 1.355 507 W HN 0.708 nan 8.180 nan 0.000 0.555 508 Y N 2.914 123.543 120.300 0.549 0.000 2.328 508 Y HA 0.428 4.978 4.550 -0.000 0.000 0.337 508 Y C -0.513 175.431 175.900 0.072 0.000 1.008 508 Y CA -0.509 57.640 58.100 0.082 0.000 1.129 508 Y CB 0.681 39.146 38.460 0.009 0.000 1.185 508 Y HN 0.178 nan 8.280 nan 0.000 0.476 509 I N 9.754 129.934 120.570 -0.650 0.000 2.306 509 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 509 I C -2.297 173.336 176.117 -0.807 0.000 1.036 509 I CA -2.301 58.693 61.300 -0.510 0.000 1.221 509 I CB 0.914 38.743 38.000 -0.285 0.000 1.385 509 I HN 0.528 nan 8.210 nan 0.000 0.472 510 P HA 0.134 nan 4.420 nan 0.000 0.269 510 P C -2.025 175.149 177.300 -0.209 0.000 1.215 510 P CA -1.244 61.661 63.100 -0.325 0.000 0.780 510 P CB 0.109 31.782 31.700 -0.045 0.000 0.898 511 P HA -0.175 nan 4.420 nan 0.000 0.219 511 P C 0.708 177.971 177.300 -0.062 0.000 1.144 511 P CA 1.629 64.687 63.100 -0.071 0.000 0.806 511 P CB -0.360 31.332 31.700 -0.015 0.000 0.771 512 S N -2.354 113.314 115.700 -0.053 0.000 2.677 512 S HA 0.236 4.706 4.470 -0.000 0.000 0.246 512 S C 0.918 175.483 174.600 -0.058 0.000 1.005 512 S CA -0.078 58.096 58.200 -0.043 0.000 1.062 512 S CB -0.987 62.199 63.200 -0.023 0.000 0.778 512 S HN 0.097 nan 8.310 nan 0.000 0.461 513 L N -1.300 119.874 121.223 -0.083 0.000 3.857 513 L HA 0.332 4.672 4.340 -0.000 0.000 0.369 513 L C 2.117 178.925 176.870 -0.102 0.000 1.105 513 L CA -0.128 54.656 54.840 -0.094 0.000 1.360 513 L CB 0.277 42.268 42.059 -0.113 0.000 1.813 513 L HN 0.163 nan 8.230 nan 0.000 0.630 514 R N 0.412 120.849 120.500 -0.105 0.000 2.081 514 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 514 R C 1.518 177.774 176.300 -0.073 0.000 1.131 514 R CA 2.005 58.045 56.100 -0.099 0.000 0.960 514 R CB -0.228 30.015 30.300 -0.095 0.000 0.856 514 R HN 0.350 nan 8.270 nan 0.000 0.436 515 T N -0.323 114.195 114.554 -0.060 0.000 3.214 515 T HA 0.256 4.606 4.350 -0.000 0.000 0.264 515 T C -0.025 174.648 174.700 -0.045 0.000 1.012 515 T CA -0.256 61.816 62.100 -0.047 0.000 0.901 515 T CB 0.195 69.041 68.868 -0.037 0.000 1.070 515 T HN -0.117 nan 8.240 nan 0.000 0.561 516 L N 2.728 123.919 121.223 -0.054 0.000 2.360 516 L HA 0.565 4.904 4.340 -0.000 0.000 0.276 516 L C 0.713 177.554 176.870 -0.048 0.000 1.121 516 L CA -0.107 54.703 54.840 -0.049 0.000 0.845 516 L CB 0.505 42.530 42.059 -0.057 0.000 1.143 516 L HN 0.484 nan 8.230 nan 0.000 0.452 522 R N -0.383 120.069 120.500 -0.081 0.000 2.320 522 R HA 0.514 4.854 4.340 -0.000 0.000 0.211 522 R C 2.134 178.360 176.300 -0.123 0.000 0.931 522 R CA 1.194 57.240 56.100 -0.091 0.000 1.071 522 R CB -1.192 29.052 30.300 -0.093 0.000 1.025 522 R HN 0.538 nan 8.270 nan 0.000 0.495 523 M N -0.619 118.902 119.600 -0.132 0.000 2.175 523 M HA -0.013 4.467 4.480 -0.000 0.000 0.264 523 M C 2.568 178.799 176.300 -0.115 0.000 1.063 523 M CA 2.436 57.636 55.300 -0.167 0.000 1.119 523 M CB -1.247 31.262 32.600 -0.151 0.000 1.377 523 M HN 0.619 nan 8.290 nan 0.000 0.415 524 S N -0.473 115.181 115.700 -0.076 0.000 2.383 524 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 524 S C 2.247 176.816 174.600 -0.052 0.000 1.030 524 S CA 1.986 60.156 58.200 -0.050 0.000 1.002 524 S CB -0.408 62.770 63.200 -0.037 0.000 0.829 524 S HN 0.796 nan 8.310 nan 0.000 0.467 525 R N -0.200 120.262 120.500 -0.063 0.000 2.119 525 R HA 0.113 4.453 4.340 -0.000 0.000 0.222 525 R C 2.242 178.499 176.300 -0.071 0.000 1.088 525 R CA 0.996 57.061 56.100 -0.059 0.000 0.984 525 R CB -0.416 29.850 30.300 -0.058 0.000 0.884 525 R HN 0.369 nan 8.270 nan 0.000 0.447 526 L N 0.538 121.698 121.223 -0.105 0.000 2.109 526 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 526 L C 2.151 178.978 176.870 -0.072 0.000 1.086 526 L CA 1.566 56.330 54.840 -0.126 0.000 0.760 526 L CB -0.497 41.403 42.059 -0.264 0.000 0.910 526 L HN -0.025 nan 8.230 nan 0.000 0.437 527 S N -0.823 114.843 115.700 -0.057 0.000 2.440 527 S HA -0.212 4.258 4.470 -0.000 0.000 0.240 527 S C 1.804 176.380 174.600 -0.040 0.000 1.014 527 S CA 1.570 59.766 58.200 -0.006 0.000 0.980 527 S CB -0.193 63.007 63.200 -0.000 0.000 0.775 527 S HN 0.547 nan 8.310 nan 0.000 0.499 528 K N -0.351 120.014 120.400 -0.059 0.000 2.358 528 K HA 0.238 4.558 4.320 -0.000 0.000 0.200 528 K C 1.499 178.038 176.600 -0.102 0.000 1.030 528 K CA 0.026 56.267 56.287 -0.078 0.000 1.097 528 K CB 0.505 32.977 32.500 -0.047 0.000 0.862 528 K HN 0.142 nan 8.250 nan 0.000 0.534 529 V N 1.223 121.086 119.914 -0.084 0.000 2.283 529 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 529 V C 2.311 178.335 176.094 -0.116 0.000 1.039 529 V CA 2.203 64.481 62.300 -0.038 0.000 1.016 529 V CB -0.432 31.417 31.823 0.044 0.000 0.650 529 V HN 0.329 nan 8.190 nan 0.000 0.449 530 A N 0.628 123.244 122.820 -0.341 0.000 1.877 530 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 530 A C 0.542 177.609 177.584 -0.860 0.000 1.186 530 A CA 2.073 53.631 52.037 -0.799 0.000 0.620 530 A CB -1.967 16.256 19.000 -1.295 0.000 0.822 530 A HN 0.526 nan 8.150 nan 0.000 0.443 531 P HA -0.128 nan 4.420 nan 0.000 0.216 531 P C 1.597 178.743 177.300 -0.255 0.000 1.150 531 P CA 1.460 64.143 63.100 -0.696 0.000 0.843 531 P CB -0.107 31.367 31.700 -0.377 0.000 0.787 532 V N -0.319 119.500 119.914 -0.159 0.000 2.323 532 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 532 V C 2.395 178.496 176.094 0.012 0.000 1.041 532 V CA 1.433 63.707 62.300 -0.043 0.000 1.025 532 V CB -1.038 30.779 31.823 -0.009 0.000 0.656 532 V HN 0.024 nan 8.190 nan 0.000 0.451 533 I N 0.438 121.042 120.570 0.056 0.000 2.127 533 I HA -0.264 3.905 4.170 -0.000 0.000 0.241 533 I C 2.560 178.764 176.117 0.146 0.000 1.075 533 I CA 1.948 63.342 61.300 0.157 0.000 1.334 533 I CB -1.078 37.138 38.000 0.360 0.000 1.040 533 I HN 0.342 nan 8.210 nan 0.000 0.405 534 K N 1.804 122.285 120.400 0.136 0.000 2.044 534 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 534 K C 2.136 178.754 176.600 0.031 0.000 1.049 534 K CA 2.073 58.448 56.287 0.147 0.000 0.927 534 K CB -0.651 31.978 32.500 0.215 0.000 0.713 534 K HN 0.273 nan 8.250 nan 0.000 0.443 535 A N 0.359 123.168 122.820 -0.019 0.000 1.892 535 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 535 A C 2.340 179.866 177.584 -0.097 0.000 1.188 535 A CA 2.192 54.172 52.037 -0.094 0.000 0.631 535 A CB -0.698 18.274 19.000 -0.046 0.000 0.822 535 A HN 0.284 nan 8.150 nan 0.000 0.447 536 R N -1.294 119.204 120.500 -0.002 0.000 2.092 536 R HA 0.045 4.385 4.340 -0.000 0.000 0.231 536 R C 2.323 178.698 176.300 0.126 0.000 1.119 536 R CA 1.400 57.532 56.100 0.052 0.000 0.970 536 R CB -1.067 29.332 30.300 0.165 0.000 0.864 536 R HN 0.783 nan 8.270 nan 0.000 0.440 537 M N -0.073 119.595 119.600 0.113 0.000 2.082 537 M HA -0.163 4.317 4.480 -0.000 0.000 0.258 537 M C 2.465 178.805 176.300 0.066 0.000 1.069 537 M CA 2.145 57.522 55.300 0.128 0.000 1.102 537 M CB -0.372 32.301 32.600 0.120 0.000 1.336 537 M HN 0.219 nan 8.290 nan 0.000 0.404 538 M N -0.951 118.609 119.600 -0.067 0.000 2.236 538 M HA -0.134 4.346 4.480 -0.000 0.000 0.266 538 M C 1.960 178.172 176.300 -0.145 0.000 1.070 538 M CA 1.085 56.277 55.300 -0.180 0.000 1.137 538 M CB -0.288 32.002 32.600 -0.516 0.000 1.378 538 M HN 0.106 nan 8.290 nan 0.000 0.426 539 E N -0.095 119.988 120.200 -0.195 0.000 2.110 539 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 539 E C 1.703 178.163 176.600 -0.233 0.000 0.988 539 E CA 1.628 57.906 56.400 -0.204 0.000 0.804 539 E CB -0.244 29.250 29.700 -0.343 0.000 0.745 539 E HN 0.639 nan 8.360 nan 0.000 0.458 540 Y N -0.311 120.009 120.300 0.033 0.000 2.448 540 Y HA 0.122 4.672 4.550 -0.001 0.000 0.289 540 Y C 1.623 177.549 175.900 0.044 0.000 1.114 540 Y CA 0.370 58.498 58.100 0.047 0.000 1.235 540 Y CB 0.458 38.953 38.460 0.058 0.000 1.045 540 Y HN 0.147 nan 8.280 nan 0.000 0.554 541 G N 0.574 109.467 108.800 0.154 0.000 2.198 541 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 541 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 541 G C 0.788 175.722 174.900 0.057 0.000 1.042 541 G CA 0.723 45.871 45.100 0.080 0.000 0.791 541 G HN 0.451 nan 8.290 nan 0.000 0.502 542 T N -4.350 110.285 114.554 0.136 0.000 3.044 542 T HA 0.485 4.834 4.350 -0.000 0.000 0.255 542 T C 0.940 175.729 174.700 0.149 0.000 1.073 542 T CA 1.568 63.769 62.100 0.170 0.000 1.125 542 T CB 0.991 70.086 68.868 0.377 0.000 0.908 542 T HN 1.209 nan 8.240 nan 0.000 0.480 543 T N -0.072 114.579 114.554 0.161 0.000 2.733 543 T HA 0.608 4.957 4.350 -0.000 0.000 0.312 543 T C -2.269 172.514 174.700 0.138 0.000 1.590 543 T CA -0.830 61.374 62.100 0.173 0.000 1.005 543 T CB 1.613 70.691 68.868 0.350 0.000 1.528 543 T HN 0.242 nan 8.240 nan 0.000 0.496 544 M N 2.528 122.206 119.600 0.130 0.000 2.324 544 M HA 0.657 5.137 4.480 -0.000 0.000 0.288 544 M C -1.646 174.708 176.300 0.091 0.000 1.097 544 M CA -0.723 54.632 55.300 0.091 0.000 0.928 544 M CB 2.361 35.002 32.600 0.068 0.000 1.648 544 M HN 0.395 nan 8.290 nan 0.000 0.460 545 V N 1.013 121.010 119.914 0.138 0.000 2.841 545 V HA 0.509 4.629 4.120 -0.000 0.000 0.310 545 V C -0.336 175.857 176.094 0.164 0.000 1.090 545 V CA -0.827 61.572 62.300 0.164 0.000 0.930 545 V CB 2.292 34.239 31.823 0.208 0.000 1.014 545 V HN 0.857 nan 8.190 nan 0.000 0.425 546 S N 2.404 118.144 115.700 0.067 0.000 2.586 546 S HA 0.698 5.168 4.470 -0.000 0.000 0.274 546 S C -0.878 173.725 174.600 0.006 0.000 1.281 546 S CA -0.308 57.872 58.200 -0.032 0.000 1.035 546 S CB 0.648 63.764 63.200 -0.140 0.000 0.962 546 S HN 0.749 nan 8.310 nan 0.000 0.512 547 Y N 0.558 120.751 120.300 -0.178 0.000 2.576 547 Y HA 0.824 5.374 4.550 -0.001 0.000 0.346 547 Y C -0.594 175.062 175.900 -0.406 0.000 1.018 547 Y CA -1.079 56.793 58.100 -0.380 0.000 1.050 547 Y CB 1.186 39.322 38.460 -0.541 0.000 1.280 547 Y HN 0.552 nan 8.280 nan 0.000 0.474 548 Q N 0.892 120.379 119.800 -0.522 0.000 2.702 548 Q HA 0.486 4.826 4.340 -0.000 0.000 0.289 548 Q C -3.582 172.093 176.000 -0.542 0.000 0.923 548 Q CA -1.861 53.648 55.803 -0.491 0.000 0.787 548 Q CB 2.398 30.855 28.738 -0.469 0.000 1.476 548 Q HN 0.514 nan 8.270 nan 0.000 0.402 549 P HA 0.620 nan 4.420 nan 0.000 0.281 549 P C -0.955 176.383 177.300 0.063 0.000 1.264 549 P CA -0.690 62.419 63.100 0.016 0.000 0.824 549 P CB 1.333 33.083 31.700 0.082 0.000 1.092 550 L N 0.634 122.048 121.223 0.319 0.000 2.528 550 L HA 0.533 4.872 4.340 -0.000 0.000 0.267 550 L C 0.606 177.565 176.870 0.148 0.000 0.961 550 L CA 0.185 55.137 54.840 0.186 0.000 0.866 550 L CB 1.005 43.214 42.059 0.250 0.000 1.248 550 L HN 0.774 nan 8.230 nan 0.000 0.404 551 G N 3.679 112.507 108.800 0.045 0.000 2.596 551 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.304 551 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.304 551 G C 0.461 175.422 174.900 0.102 0.000 1.189 551 G CA 0.598 45.728 45.100 0.050 0.000 0.986 551 G HN 0.947 nan 8.290 nan 0.000 0.548 552 D N 1.405 121.881 120.400 0.127 0.000 2.340 552 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 552 D C 0.322 176.744 176.300 0.203 0.000 1.039 552 D CA 0.406 54.489 54.000 0.137 0.000 0.866 552 D CB 0.098 40.968 40.800 0.115 0.000 0.913 552 D HN 0.398 nan 8.370 nan 0.000 0.523 553 K N 1.646 122.219 120.400 0.287 0.000 2.172 553 K HA 0.296 4.616 4.320 -0.000 0.000 0.276 553 K C 0.603 177.502 176.600 0.498 0.000 1.013 553 K CA -0.675 55.892 56.287 0.466 0.000 0.913 553 K CB 2.714 35.487 32.500 0.455 0.000 1.055 553 K HN 0.006 nan 8.250 nan 0.000 0.461 554 V N -0.784 119.469 119.914 0.565 0.000 3.170 554 V HA 0.214 4.334 4.120 -0.000 0.000 0.309 554 V C 0.246 176.720 176.094 0.633 0.000 1.071 554 V CA -1.077 61.483 62.300 0.434 0.000 1.063 554 V CB 0.204 32.162 31.823 0.224 0.000 1.123 554 V HN 0.732 nan 8.190 nan 0.000 0.464 555 N N 2.292 121.193 118.700 0.335 0.000 1.923 555 N HA 0.080 4.820 4.740 -0.000 0.000 0.305 555 N C -0.811 174.870 175.510 0.285 0.000 1.339 555 N CA 0.806 53.974 53.050 0.198 0.000 0.825 555 N CB -0.488 38.034 38.487 0.057 0.000 1.095 555 N HN 0.686 nan 8.380 nan 0.000 0.498 556 F N 0.788 120.714 119.950 -0.039 0.000 2.577 556 F HA 0.626 5.152 4.527 -0.001 0.000 0.318 556 F C -0.700 174.881 175.800 -0.365 0.000 1.065 556 F CA -1.663 56.105 58.000 -0.388 0.000 0.929 556 F CB 0.630 39.087 39.000 -0.906 0.000 1.237 556 F HN 0.015 nan 8.300 nan 0.000 0.468 557 F N 2.205 121.990 119.950 -0.275 0.000 2.495 557 F HA 0.334 4.861 4.527 0.000 0.000 0.365 557 F C 0.908 176.495 175.800 -0.355 0.000 1.090 557 F CA -0.114 57.624 58.000 -0.437 0.000 1.235 557 F CB 0.645 39.087 39.000 -0.930 0.000 1.119 557 F HN 0.510 nan 8.300 nan 0.000 0.562 558 R N 5.260 125.745 120.500 -0.025 0.000 2.332 558 R HA 0.319 4.659 4.340 -0.000 0.000 0.306 558 R C -0.724 175.618 176.300 0.071 0.000 1.117 558 R CA -0.888 55.244 56.100 0.053 0.000 1.108 558 R CB 0.550 30.860 30.300 0.017 0.000 1.126 558 R HN 0.678 nan 8.270 nan 0.000 0.548 559 M N 4.445 124.122 119.600 0.129 0.000 2.233 559 M HA 0.185 4.665 4.480 -0.000 0.000 0.350 559 M C -1.009 175.361 176.300 0.117 0.000 1.176 559 M CA -0.196 55.182 55.300 0.130 0.000 1.150 559 M CB 1.182 33.922 32.600 0.234 0.000 1.530 559 M HN 0.293 nan 8.290 nan 0.000 0.459 560 V N 3.620 123.595 119.914 0.101 0.000 2.888 560 V HA 0.684 4.804 4.120 -0.000 0.000 0.309 560 V C -0.960 175.283 176.094 0.249 0.000 1.114 560 V CA -0.915 61.486 62.300 0.170 0.000 0.940 560 V CB 1.672 33.542 31.823 0.077 0.000 1.021 560 V HN 0.825 nan 8.190 nan 0.000 0.426 561 I N 3.545 124.296 120.570 0.302 0.000 2.436 561 I HA 0.671 4.841 4.170 -0.000 0.000 0.289 561 I C 0.572 176.901 176.117 0.353 0.000 1.010 561 I CA -0.127 61.367 61.300 0.325 0.000 1.098 561 I CB 2.348 40.476 38.000 0.214 0.000 1.266 561 I HN 0.953 nan 8.210 nan 0.000 0.434 562 S N 2.147 118.063 115.700 0.361 0.000 2.760 562 S HA 0.087 4.557 4.470 -0.000 0.000 0.263 562 S C 0.078 174.912 174.600 0.390 0.000 1.007 562 S CA -0.521 57.897 58.200 0.363 0.000 1.358 562 S CB -0.301 63.178 63.200 0.465 0.000 1.228 562 S HN 0.688 nan 8.310 nan 0.000 0.684 563 N N 3.149 122.047 118.700 0.329 0.000 2.444 563 N HA 0.307 5.047 4.740 -0.000 0.000 0.271 563 N C -1.648 174.031 175.510 0.281 0.000 1.069 563 N CA -1.891 51.318 53.050 0.264 0.000 0.965 563 N CB 1.539 40.132 38.487 0.176 0.000 1.092 563 N HN -0.007 nan 8.380 nan 0.000 0.476 564 P HA -0.087 nan 4.420 nan 0.000 0.223 564 P C 0.566 177.948 177.300 0.135 0.000 1.151 564 P CA 0.757 63.965 63.100 0.180 0.000 0.787 564 P CB 0.156 31.858 31.700 0.004 0.000 0.788 565 A N -0.133 122.772 122.820 0.141 0.000 2.167 565 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 565 A C 1.437 179.073 177.584 0.087 0.000 1.151 565 A CA 0.398 52.513 52.037 0.130 0.000 0.735 565 A CB -0.843 18.270 19.000 0.187 0.000 0.802 565 A HN 0.263 nan 8.150 nan 0.000 0.467 566 A N 0.846 123.736 122.820 0.117 0.000 2.409 566 A HA 0.532 4.852 4.320 -0.000 0.000 0.267 566 A C 0.751 178.403 177.584 0.114 0.000 1.127 566 A CA 0.397 52.530 52.037 0.160 0.000 0.795 566 A CB -0.236 18.956 19.000 0.320 0.000 1.061 566 A HN 0.615 nan 8.150 nan 0.000 0.502 567 T N -0.262 114.347 114.554 0.091 0.000 2.804 567 T HA 0.463 4.813 4.350 -0.000 0.000 0.272 567 T C 0.902 175.587 174.700 -0.025 0.000 0.986 567 T CA -0.145 61.963 62.100 0.014 0.000 0.999 567 T CB 0.333 69.231 68.868 0.049 0.000 1.307 567 T HN 0.571 nan 8.240 nan 0.000 0.586 568 H N -0.007 119.039 119.070 -0.040 0.000 2.353 568 H HA -0.055 4.499 4.556 -0.004 0.000 0.300 568 H C 2.593 177.964 175.328 0.071 0.000 1.090 568 H CA 2.306 58.270 56.048 -0.139 0.000 1.327 568 H CB -0.106 29.395 29.762 -0.434 0.000 1.383 568 H HN 0.773 nan 8.280 nan 0.000 0.508 569 Q N 0.792 120.701 119.800 0.183 0.000 2.135 569 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 569 Q C 0.937 177.077 176.000 0.234 0.000 0.981 569 Q CA 1.863 57.777 55.803 0.184 0.000 0.856 569 Q CB -0.018 28.795 28.738 0.125 0.000 0.902 569 Q HN 0.497 nan 8.270 nan 0.000 0.425 570 D N 0.841 121.377 120.400 0.226 0.000 2.183 570 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 570 D C 2.024 178.547 176.300 0.371 0.000 0.969 570 D CA 0.785 54.969 54.000 0.306 0.000 0.842 570 D CB 0.099 41.087 40.800 0.313 0.000 0.957 570 D HN 0.306 nan 8.370 nan 0.000 0.484 571 I N 1.901 122.635 120.570 0.272 0.000 2.202 571 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 571 I C 1.887 178.085 176.117 0.135 0.000 1.091 571 I CA 1.120 62.515 61.300 0.158 0.000 1.368 571 I CB -1.095 37.035 38.000 0.216 0.000 1.058 571 I HN -0.096 nan 8.210 nan 0.000 0.410 572 D N 0.606 121.140 120.400 0.223 0.000 2.116 572 D HA -0.254 4.386 4.640 -0.000 0.000 0.193 572 D C 2.117 178.487 176.300 0.118 0.000 0.998 572 D CA 1.235 55.322 54.000 0.146 0.000 0.836 572 D CB -0.562 40.357 40.800 0.198 0.000 0.951 572 D HN 0.320 nan 8.370 nan 0.000 0.449 573 F N 1.068 121.061 119.950 0.072 0.000 2.102 573 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 573 F C 2.158 177.983 175.800 0.041 0.000 1.105 573 F CA 0.887 58.925 58.000 0.063 0.000 1.239 573 F CB -0.283 38.776 39.000 0.099 0.000 0.991 573 F HN -0.083 nan 8.300 nan 0.000 0.474 574 L N 0.660 122.011 121.223 0.213 0.000 1.989 574 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 574 L C 2.260 179.051 176.870 -0.132 0.000 1.071 574 L CA 1.710 56.596 54.840 0.078 0.000 0.749 574 L CB -0.950 41.172 42.059 0.106 0.000 0.890 574 L HN 0.176 nan 8.230 nan 0.000 0.431 575 I N -0.081 120.394 120.570 -0.159 0.000 2.113 575 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 575 I C 2.520 178.528 176.117 -0.181 0.000 1.064 575 I CA 1.835 63.005 61.300 -0.216 0.000 1.320 575 I CB -1.559 36.268 38.000 -0.288 0.000 1.028 575 I HN 0.456 nan 8.210 nan 0.000 0.406 576 E N 0.315 120.385 120.200 -0.216 0.000 2.072 576 E HA -0.253 4.097 4.350 -0.000 0.000 0.191 576 E C 2.091 178.495 176.600 -0.327 0.000 0.985 576 E CA 1.164 57.422 56.400 -0.238 0.000 0.801 576 E CB -0.087 29.476 29.700 -0.228 0.000 0.750 576 E HN 0.421 nan 8.360 nan 0.000 0.452 577 E N 1.198 121.110 120.200 -0.479 0.000 2.077 577 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 577 E C 1.839 178.273 176.600 -0.276 0.000 0.989 577 E CA 0.918 57.048 56.400 -0.451 0.000 0.800 577 E CB -0.127 29.240 29.700 -0.554 0.000 0.746 577 E HN 0.224 nan 8.360 nan 0.000 0.452 578 I N 0.456 120.856 120.570 -0.283 0.000 2.226 578 I HA -0.264 3.905 4.170 -0.000 0.000 0.245 578 I C 2.238 178.042 176.117 -0.522 0.000 1.100 578 I CA 1.476 62.572 61.300 -0.340 0.000 1.374 578 I CB -0.273 37.515 38.000 -0.353 0.000 1.057 578 I HN 0.203 nan 8.210 nan 0.000 0.413 579 E N 0.347 120.215 120.200 -0.554 0.000 2.051 579 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 579 E C 2.316 178.812 176.600 -0.174 0.000 0.991 579 E CA 1.099 57.225 56.400 -0.458 0.000 0.799 579 E CB -0.116 29.466 29.700 -0.196 0.000 0.748 579 E HN 0.300 nan 8.360 nan 0.000 0.449 580 R N 0.194 120.595 120.500 -0.165 0.000 2.081 580 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 580 R C 1.785 178.048 176.300 -0.062 0.000 1.131 580 R CA 1.015 57.050 56.100 -0.108 0.000 0.960 580 R CB -0.000 30.207 30.300 -0.155 0.000 0.856 580 R HN 0.090 nan 8.270 nan 0.000 0.436 581 L N -0.579 120.605 121.223 -0.064 0.000 2.492 581 L HA 0.134 4.474 4.340 -0.000 0.000 0.223 581 L C 1.198 178.105 176.870 0.060 0.000 1.132 581 L CA 0.979 55.828 54.840 0.015 0.000 0.850 581 L CB -0.230 41.851 42.059 0.037 0.000 0.966 581 L HN 0.135 nan 8.230 nan 0.000 0.454 582 G N -0.072 108.765 108.800 0.062 0.000 3.209 582 G HA2 0.349 4.309 3.960 -0.000 0.000 0.274 582 G HA3 0.349 4.309 3.960 -0.000 0.000 0.274 582 G C -0.027 174.973 174.900 0.166 0.000 0.850 582 G CA -0.053 45.159 45.100 0.188 0.000 1.907 582 G HN 0.270 nan 8.290 nan 0.000 0.591 583 Q N 0.288 120.150 119.800 0.103 0.000 3.550 583 Q HA 0.443 4.783 4.340 -0.000 0.000 0.206 583 Q C -0.324 175.711 176.000 0.058 0.000 0.891 583 Q CA 0.047 55.895 55.803 0.074 0.000 0.737 583 Q CB 1.147 29.920 28.738 0.060 0.000 1.417 583 Q HN 0.609 nan 8.270 nan 0.000 0.460 584 D N 0.000 120.430 120.400 0.050 0.000 6.856 584 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 584 D CA 0.000 54.030 54.000 0.050 0.000 0.868 584 D CB 0.000 40.816 40.800 0.026 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683