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 3iml_1_B DATA FIRST_RESID 5 DATA SEQUENCE YLFTSESVSE GHPDKVADQI SDAILDAILA QDKYSRVAAE TLCNTGLVVL DATA SEQUENCE AGEITTTANI DYIQIARDTI KRIGYXXXXX XXXXXXCAVL VAYDKXXXXX DATA SEQUENCE XXXXXXXXXX NLDQGAGDQG LMFGYACDET PELMPLPIHL SHRLVERQAN DATA SEQUENCE LRRDGRLPWL RPDAKSQVTV RYVDGKPHSI DTVVLSTQHA PEIDLPALRE DATA SEQUENCE AVIEEVIKPT LPADLIKGDI KFLVNPTGRF VIGGPQGDCG LTGRKIIVDT DATA SEQUENCE YGGAAPHGGG AFSGKDPSKV DRSAAYAGRY VAKNIVAAGL ASRALIQVSY DATA SEQUENCE AIGVAEPTSV MVNTFGTGRV SDETITKLVR EHFDLRPKGI IQMLDLLRPI DATA SEQUENCE YEKTAAYGHF GREEPEFSWE AADKALALAE AAG 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 5 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.993 175.900 0.155 0.000 1.272 5 Y CA 0.000 58.154 58.100 0.089 0.000 1.940 5 Y CB 0.000 38.499 38.460 0.066 0.000 1.050 6 L N 2.863 124.243 121.223 0.262 0.000 2.296 6 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 6 L C -1.273 175.792 176.870 0.323 0.000 1.023 6 L CA -0.583 54.380 54.840 0.205 0.000 0.812 6 L CB 1.622 43.754 42.059 0.121 0.000 1.223 6 L HN 0.687 nan 8.230 nan 0.000 0.421 7 F N 1.840 121.903 119.950 0.189 0.000 2.532 7 F HA 0.583 5.110 4.527 -0.001 0.000 0.321 7 F C -0.239 175.648 175.800 0.145 0.000 1.089 7 F CA -0.170 57.935 58.000 0.176 0.000 0.926 7 F CB 2.129 41.218 39.000 0.148 0.000 1.168 7 F HN 0.265 nan 8.300 nan 0.000 0.459 8 T N 3.630 117.963 114.554 -0.368 0.000 2.861 8 T HA 0.560 4.910 4.350 -0.000 0.000 0.287 8 T C -0.926 173.685 174.700 -0.148 0.000 1.003 8 T CA -0.602 61.414 62.100 -0.140 0.000 0.977 8 T CB 1.711 70.492 68.868 -0.146 0.000 0.996 8 T HN 0.544 nan 8.240 nan 0.000 0.448 9 S N 1.640 117.380 115.700 0.067 0.000 2.709 9 S HA 0.745 5.215 4.470 -0.000 0.000 0.302 9 S C -0.968 173.649 174.600 0.030 0.000 1.127 9 S CA -1.052 57.194 58.200 0.078 0.000 0.905 9 S CB 1.850 65.162 63.200 0.187 0.000 1.151 9 S HN 0.879 nan 8.310 nan 0.000 0.510 10 E N -0.565 119.636 120.200 0.002 0.000 2.408 10 E HA 0.774 5.124 4.350 -0.000 0.000 0.275 10 E C -1.178 175.386 176.600 -0.060 0.000 0.935 10 E CA -0.744 55.647 56.400 -0.016 0.000 0.775 10 E CB 1.989 31.680 29.700 -0.015 0.000 1.277 10 E HN 0.357 nan 8.360 nan 0.000 0.455 11 S N 0.391 116.070 115.700 -0.036 0.000 2.685 11 S HA 0.724 5.194 4.470 -0.000 0.000 0.282 11 S C -1.392 173.229 174.600 0.036 0.000 1.159 11 S CA -0.164 58.025 58.200 -0.018 0.000 0.833 11 S CB 1.703 64.891 63.200 -0.020 0.000 1.151 11 S HN 0.963 nan 8.310 nan 0.000 0.485 12 V N 0.572 120.515 119.914 0.049 0.000 3.078 12 V HA 0.923 5.042 4.120 -0.000 0.000 0.311 12 V C 0.047 176.195 176.094 0.089 0.000 1.138 12 V CA -0.458 61.874 62.300 0.054 0.000 1.007 12 V CB 1.233 32.983 31.823 -0.122 0.000 1.045 12 V HN 1.083 nan 8.190 nan 0.000 0.432 13 S N 1.051 116.843 115.700 0.153 0.000 2.634 13 S HA 0.229 4.699 4.470 -0.000 0.000 0.261 13 S C 0.986 175.571 174.600 -0.026 0.000 1.271 13 S CA 0.340 58.631 58.200 0.152 0.000 0.985 13 S CB 0.698 64.024 63.200 0.210 0.000 0.968 13 S HN 1.188 nan 8.310 nan 0.000 0.568 14 E N 0.060 120.190 120.200 -0.116 0.000 2.396 14 E HA -0.061 4.289 4.350 -0.000 0.000 0.200 14 E C 1.418 178.054 176.600 0.061 0.000 1.023 14 E CA 1.039 57.385 56.400 -0.090 0.000 0.857 14 E CB -0.827 28.860 29.700 -0.022 0.000 0.775 14 E HN 0.797 nan 8.360 nan 0.000 0.525 15 G N 0.617 109.485 108.800 0.114 0.000 2.939 15 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.210 15 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.210 15 G C 0.415 175.487 174.900 0.286 0.000 1.160 15 G CA -0.338 44.882 45.100 0.200 0.000 0.770 15 G HN 0.291 nan 8.290 nan 0.000 0.543 16 H N 1.684 120.839 119.070 0.142 0.000 2.928 16 H HA 0.064 4.620 4.556 -0.000 0.000 0.338 16 H C -1.302 174.086 175.328 0.099 0.000 1.047 16 H CA -1.150 54.976 56.048 0.130 0.000 1.435 16 H CB 1.971 31.790 29.762 0.095 0.000 1.428 16 H HN -0.036 nan 8.280 nan 0.000 0.590 17 P HA -0.169 nan 4.420 nan 0.000 0.216 17 P C 1.000 178.348 177.300 0.081 0.000 1.150 17 P CA 1.213 64.260 63.100 -0.088 0.000 0.843 17 P CB 0.403 31.987 31.700 -0.193 0.000 0.787 18 D N -0.362 120.209 120.400 0.285 0.000 2.117 18 D HA -0.136 4.503 4.640 -0.000 0.000 0.197 18 D C 1.857 178.254 176.300 0.162 0.000 0.987 18 D CA 1.105 55.245 54.000 0.234 0.000 0.829 18 D CB -0.307 40.642 40.800 0.249 0.000 0.961 18 D HN 0.147 nan 8.370 nan 0.000 0.460 19 K N 0.653 121.169 120.400 0.193 0.000 2.217 19 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 19 K C 2.207 178.862 176.600 0.091 0.000 1.051 19 K CA 0.126 56.471 56.287 0.098 0.000 0.952 19 K CB -0.275 32.255 32.500 0.050 0.000 0.736 19 K HN 0.098 nan 8.250 nan 0.000 0.453 20 V N 1.618 121.601 119.914 0.115 0.000 2.343 20 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 20 V C 2.489 178.632 176.094 0.081 0.000 1.051 20 V CA 2.030 64.392 62.300 0.104 0.000 1.036 20 V CB -0.786 31.099 31.823 0.104 0.000 0.654 20 V HN 0.268 nan 8.190 nan 0.000 0.451 21 A N -0.216 122.647 122.820 0.071 0.000 1.902 21 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 21 A C 2.044 179.669 177.584 0.069 0.000 1.181 21 A CA 1.983 54.055 52.037 0.060 0.000 0.623 21 A CB -0.622 18.406 19.000 0.045 0.000 0.818 21 A HN 0.538 nan 8.150 nan 0.000 0.443 22 D N -0.409 120.035 120.400 0.074 0.000 2.097 22 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 22 D C 2.216 178.572 176.300 0.094 0.000 0.989 22 D CA 1.646 55.697 54.000 0.086 0.000 0.827 22 D CB -0.414 40.442 40.800 0.093 0.000 0.966 22 D HN 0.633 nan 8.370 nan 0.000 0.456 23 Q N 0.049 119.899 119.800 0.082 0.000 2.119 23 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 23 Q C 2.489 178.546 176.000 0.095 0.000 0.972 23 Q CA 0.632 56.486 55.803 0.084 0.000 0.847 23 Q CB 0.052 28.830 28.738 0.067 0.000 0.903 23 Q HN 0.336 nan 8.270 nan 0.000 0.433 24 I N 0.175 120.800 120.570 0.093 0.000 2.179 24 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 24 I C 2.290 178.476 176.117 0.115 0.000 1.088 24 I CA 0.957 62.318 61.300 0.101 0.000 1.357 24 I CB -0.272 37.783 38.000 0.092 0.000 1.051 24 I HN 0.100 nan 8.210 nan 0.000 0.409 25 S N 0.200 115.963 115.700 0.106 0.000 2.374 25 S HA -0.225 4.244 4.470 -0.000 0.000 0.227 25 S C 1.609 176.273 174.600 0.107 0.000 1.037 25 S CA 1.632 59.896 58.200 0.108 0.000 1.024 25 S CB -0.258 62.994 63.200 0.088 0.000 0.861 25 S HN 0.435 nan 8.310 nan 0.000 0.456 26 D N 0.545 121.016 120.400 0.118 0.000 2.271 26 D HA 0.230 4.870 4.640 -0.000 0.000 0.206 26 D C 2.027 178.414 176.300 0.146 0.000 0.967 26 D CA 0.722 54.807 54.000 0.142 0.000 0.867 26 D CB -0.225 40.684 40.800 0.182 0.000 0.960 26 D HN 0.338 nan 8.370 nan 0.000 0.509 27 A N 0.833 123.728 122.820 0.126 0.000 1.902 27 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 27 A C 2.296 179.950 177.584 0.117 0.000 1.181 27 A CA 0.836 52.942 52.037 0.114 0.000 0.623 27 A CB -0.657 18.404 19.000 0.102 0.000 0.818 27 A HN 0.171 nan 8.150 nan 0.000 0.443 28 I N -0.887 119.763 120.570 0.134 0.000 2.179 28 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 28 I C 2.428 178.612 176.117 0.112 0.000 1.088 28 I CA 1.250 62.642 61.300 0.153 0.000 1.357 28 I CB -0.204 37.920 38.000 0.208 0.000 1.051 28 I HN 0.428 nan 8.210 nan 0.000 0.409 29 L N 0.799 122.079 121.223 0.094 0.000 1.989 29 L HA -0.284 4.056 4.340 -0.000 0.000 0.211 29 L C 2.004 178.937 176.870 0.106 0.000 1.071 29 L CA 2.093 56.976 54.840 0.072 0.000 0.749 29 L CB -0.857 41.232 42.059 0.050 0.000 0.890 29 L HN 0.214 nan 8.230 nan 0.000 0.431 30 D N -0.078 120.411 120.400 0.148 0.000 2.149 30 D HA -0.191 4.448 4.640 -0.000 0.000 0.198 30 D C 2.185 178.535 176.300 0.083 0.000 0.990 30 D CA 1.577 55.661 54.000 0.139 0.000 0.839 30 D CB -0.299 40.580 40.800 0.131 0.000 0.948 30 D HN 0.543 nan 8.370 nan 0.000 0.460 31 A N 0.655 123.517 122.820 0.069 0.000 1.902 31 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 31 A C 2.393 179.990 177.584 0.022 0.000 1.181 31 A CA 0.949 53.007 52.037 0.036 0.000 0.623 31 A CB -0.717 18.299 19.000 0.026 0.000 0.818 31 A HN 0.190 nan 8.150 nan 0.000 0.443 32 I N -0.344 120.246 120.570 0.035 0.000 2.179 32 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 32 I C 2.330 178.459 176.117 0.021 0.000 1.088 32 I CA 1.128 62.442 61.300 0.024 0.000 1.357 32 I CB -0.267 37.752 38.000 0.030 0.000 1.051 32 I HN 0.277 nan 8.210 nan 0.000 0.409 33 L N 0.288 121.533 121.223 0.036 0.000 2.201 33 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 33 L C 2.771 179.649 176.870 0.013 0.000 1.105 33 L CA 0.970 55.828 54.840 0.030 0.000 0.775 33 L CB -0.648 41.459 42.059 0.081 0.000 0.913 33 L HN 0.255 nan 8.230 nan 0.000 0.440 34 A N -0.549 122.284 122.820 0.020 0.000 1.972 34 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 34 A C 2.186 179.770 177.584 -0.001 0.000 1.169 34 A CA 1.534 53.576 52.037 0.008 0.000 0.635 34 A CB -0.213 18.793 19.000 0.011 0.000 0.810 34 A HN 0.496 nan 8.150 nan 0.000 0.446 35 Q N -1.931 117.869 119.800 0.000 0.000 2.304 35 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 35 Q C -0.331 175.674 176.000 0.009 0.000 0.936 35 Q CA 0.811 56.615 55.803 0.002 0.000 0.878 35 Q CB 0.494 29.230 28.738 -0.002 0.000 0.983 35 Q HN 0.526 nan 8.270 nan 0.000 0.516 36 D N 0.135 120.540 120.400 0.009 0.000 2.346 36 D HA 0.059 4.698 4.640 -0.000 0.000 0.255 36 D C 0.047 176.338 176.300 -0.015 0.000 1.276 36 D CA -0.194 53.822 54.000 0.026 0.000 0.941 36 D CB 0.753 41.586 40.800 0.054 0.000 1.199 36 D HN 0.092 nan 8.370 nan 0.000 0.537 37 K N 1.680 122.008 120.400 -0.121 0.000 2.442 37 K HA -0.110 4.209 4.320 -0.000 0.000 0.198 37 K C 0.345 176.765 176.600 -0.301 0.000 1.042 37 K CA 0.911 57.057 56.287 -0.235 0.000 0.958 37 K CB -0.138 32.156 32.500 -0.343 0.000 0.766 37 K HN 0.264 nan 8.250 nan 0.000 0.474 38 Y N 1.954 122.267 120.300 0.022 0.000 2.466 38 Y HA 0.209 4.758 4.550 -0.001 0.000 0.272 38 Y C 0.476 176.377 175.900 0.001 0.000 1.169 38 Y CA -0.493 57.614 58.100 0.012 0.000 1.285 38 Y CB 0.129 38.595 38.460 0.010 0.000 1.078 38 Y HN -0.075 nan 8.280 nan 0.000 0.523 39 S N 2.004 117.763 115.700 0.098 0.000 2.558 39 S HA 0.061 4.531 4.470 -0.000 0.000 0.287 39 S C 0.359 174.973 174.600 0.024 0.000 1.321 39 S CA -0.419 57.813 58.200 0.054 0.000 1.048 39 S CB 0.297 63.512 63.200 0.025 0.000 0.844 39 S HN 0.171 nan 8.310 nan 0.000 0.512 40 R N 1.737 122.242 120.500 0.009 0.000 2.254 40 R HA 0.538 4.877 4.340 -0.000 0.000 0.318 40 R C -0.953 175.323 176.300 -0.040 0.000 1.031 40 R CA -0.529 55.561 56.100 -0.017 0.000 0.905 40 R CB 0.252 30.543 30.300 -0.014 0.000 1.050 40 R HN 0.374 nan 8.270 nan 0.000 0.456 41 V N 1.174 121.053 119.914 -0.059 0.000 2.623 41 V HA 0.628 4.748 4.120 -0.000 0.000 0.304 41 V C -0.330 175.722 176.094 -0.071 0.000 1.054 41 V CA -1.024 61.229 62.300 -0.079 0.000 0.882 41 V CB 2.001 33.776 31.823 -0.080 0.000 1.002 41 V HN 0.810 nan 8.190 nan 0.000 0.424 42 A N 3.520 126.306 122.820 -0.057 0.000 3.159 42 A HA 0.822 5.141 4.320 -0.000 0.000 0.330 42 A C 0.213 177.804 177.584 0.012 0.000 1.032 42 A CA -0.035 51.985 52.037 -0.027 0.000 0.841 42 A CB 0.469 19.458 19.000 -0.017 0.000 1.093 42 A HN 1.266 nan 8.150 nan 0.000 0.478 43 A N 1.784 124.614 122.820 0.018 0.000 2.279 43 A HA 0.625 4.945 4.320 -0.000 0.000 0.306 43 A C -0.036 177.614 177.584 0.110 0.000 1.300 43 A CA -0.274 51.829 52.037 0.110 0.000 0.925 43 A CB 0.224 19.269 19.000 0.075 0.000 1.152 43 A HN 0.549 nan 8.150 nan 0.000 0.544 44 E N 1.664 121.934 120.200 0.116 0.000 2.191 44 E HA 0.538 4.888 4.350 -0.000 0.000 0.274 44 E C -0.745 175.873 176.600 0.030 0.000 0.948 44 E CA -0.267 56.163 56.400 0.050 0.000 0.802 44 E CB 1.873 31.584 29.700 0.019 0.000 1.137 44 E HN 0.519 nan 8.360 nan 0.000 0.397 45 T N 2.173 116.740 114.554 0.022 0.000 2.848 45 T HA 0.515 4.865 4.350 -0.000 0.000 0.285 45 T C -0.464 174.234 174.700 -0.003 0.000 0.995 45 T CA -0.603 61.502 62.100 0.009 0.000 0.970 45 T CB 1.094 69.984 68.868 0.037 0.000 0.976 45 T HN 0.290 nan 8.240 nan 0.000 0.441 46 L N 3.850 125.061 121.223 -0.020 0.000 2.356 46 L HA 0.807 5.147 4.340 -0.000 0.000 0.277 46 L C -0.791 176.065 176.870 -0.023 0.000 0.996 46 L CA -0.586 54.242 54.840 -0.020 0.000 0.822 46 L CB 0.586 42.627 42.059 -0.030 0.000 1.256 46 L HN 0.993 nan 8.230 nan 0.000 0.413 47 C N 1.966 121.254 119.300 -0.020 0.000 2.563 47 C HA 0.806 5.266 4.460 -0.000 0.000 0.314 47 C C -0.402 174.561 174.990 -0.045 0.000 1.199 47 C CA -0.778 58.222 59.018 -0.030 0.000 1.564 47 C CB 0.969 28.695 27.740 -0.023 0.000 2.173 47 C HN 0.876 nan 8.230 nan 0.000 0.485 48 N N -0.413 118.257 118.700 -0.051 0.000 3.038 48 N HA 0.604 5.344 4.740 -0.000 0.000 0.307 48 N C 1.252 176.723 175.510 -0.066 0.000 1.441 48 N CA 0.273 53.290 53.050 -0.055 0.000 0.772 48 N CB 1.833 40.294 38.487 -0.043 0.000 1.651 48 N HN 0.863 nan 8.380 nan 0.000 0.593 49 T N -2.597 111.920 114.554 -0.062 0.000 2.580 49 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 49 T C 1.387 176.057 174.700 -0.051 0.000 1.063 49 T CA 1.502 63.564 62.100 -0.063 0.000 1.170 49 T CB -0.963 67.876 68.868 -0.048 0.000 0.863 49 T HN 0.531 nan 8.240 nan 0.000 0.418 50 G N 0.506 109.283 108.800 -0.038 0.000 3.502 50 G HA2 0.503 4.463 3.960 -0.000 0.000 0.267 50 G HA3 0.503 4.463 3.960 -0.000 0.000 0.267 50 G C -0.391 174.493 174.900 -0.026 0.000 1.090 50 G CA -0.320 44.763 45.100 -0.029 0.000 0.795 50 G HN 0.503 nan 8.290 nan 0.000 0.535 51 L N 0.643 121.848 121.223 -0.031 0.000 2.493 51 L HA 0.670 5.010 4.340 -0.000 0.000 0.265 51 L C -1.279 175.573 176.870 -0.030 0.000 0.954 51 L CA -0.863 53.960 54.840 -0.029 0.000 0.844 51 L CB 2.489 44.529 42.059 -0.031 0.000 1.302 51 L HN -0.144 nan 8.230 nan 0.000 0.405 52 V N 5.071 124.970 119.914 -0.026 0.000 2.540 52 V HA 0.670 4.789 4.120 -0.000 0.000 0.302 52 V C -0.732 175.336 176.094 -0.044 0.000 1.035 52 V CA -0.717 61.567 62.300 -0.026 0.000 0.873 52 V CB 2.078 33.896 31.823 -0.009 0.000 0.992 52 V HN 0.476 nan 8.190 nan 0.000 0.428 53 V N 6.258 126.137 119.914 -0.058 0.000 2.448 53 V HA 0.537 4.657 4.120 -0.000 0.000 0.295 53 V C -0.445 175.572 176.094 -0.129 0.000 1.025 53 V CA -0.496 61.748 62.300 -0.094 0.000 0.859 53 V CB 1.769 33.543 31.823 -0.081 0.000 0.988 53 V HN 0.649 nan 8.190 nan 0.000 0.431 54 L N 4.757 125.838 121.223 -0.236 0.000 2.319 54 L HA 0.924 5.264 4.340 -0.000 0.000 0.281 54 L C 0.090 176.565 176.870 -0.657 0.000 1.005 54 L CA -0.241 54.365 54.840 -0.390 0.000 0.828 54 L CB 1.586 43.370 42.059 -0.458 0.000 1.227 54 L HN 0.788 nan 8.230 nan 0.000 0.415 55 A N 2.274 124.841 122.820 -0.421 0.000 2.564 55 A HA 1.028 5.348 4.320 -0.000 0.000 0.288 55 A C -0.101 177.492 177.584 0.015 0.000 1.164 55 A CA -0.095 51.772 52.037 -0.284 0.000 0.712 55 A CB 1.786 20.697 19.000 -0.148 0.000 1.303 55 A HN 0.950 nan 8.150 nan 0.000 0.418 56 G N -0.621 108.226 108.800 0.079 0.000 2.396 56 G HA2 0.370 4.329 3.960 -0.000 0.000 0.254 56 G HA3 0.370 4.329 3.960 -0.000 0.000 0.254 56 G C -1.382 173.611 174.900 0.155 0.000 1.248 56 G CA -0.200 44.973 45.100 0.121 0.000 1.033 56 G HN 0.990 nan 8.290 nan 0.000 0.502 57 E N -0.582 119.660 120.200 0.072 0.000 2.210 57 E HA 0.785 5.135 4.350 -0.000 0.000 0.266 57 E C -0.206 176.369 176.600 -0.042 0.000 0.883 57 E CA -0.420 55.993 56.400 0.022 0.000 0.761 57 E CB 1.917 31.622 29.700 0.008 0.000 1.156 57 E HN 0.641 nan 8.360 nan 0.000 0.412 58 I N 1.706 122.239 120.570 -0.062 0.000 2.607 58 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 58 I C -0.864 175.229 176.117 -0.041 0.000 1.129 58 I CA -0.712 60.528 61.300 -0.101 0.000 1.042 58 I CB 2.542 40.403 38.000 -0.232 0.000 1.242 58 I HN 0.314 nan 8.210 nan 0.000 0.421 59 T N 3.222 117.761 114.554 -0.025 0.000 2.847 59 T HA 0.600 4.949 4.350 -0.000 0.000 0.291 59 T C -0.459 174.248 174.700 0.012 0.000 0.998 59 T CA -0.539 61.561 62.100 -0.000 0.000 0.967 59 T CB 1.687 70.558 68.868 0.004 0.000 0.954 59 T HN 0.689 nan 8.240 nan 0.000 0.441 60 T N 0.500 115.067 114.554 0.022 0.000 2.827 60 T HA 0.433 4.783 4.350 -0.000 0.000 0.328 60 T C 0.845 175.565 174.700 0.034 0.000 1.598 60 T CA -0.141 61.978 62.100 0.032 0.000 1.043 60 T CB 1.394 70.279 68.868 0.028 0.000 1.447 60 T HN 0.591 nan 8.240 nan 0.000 0.491 61 T N -0.024 114.552 114.554 0.037 0.000 3.060 61 T HA 0.552 4.902 4.350 -0.000 0.000 0.249 61 T C 0.977 175.689 174.700 0.021 0.000 1.079 61 T CA 0.454 62.572 62.100 0.031 0.000 1.013 61 T CB -0.024 68.865 68.868 0.035 0.000 0.975 61 T HN 0.845 nan 8.240 nan 0.000 0.518 62 A N 2.175 125.006 122.820 0.018 0.000 2.483 62 A HA 0.450 4.770 4.320 -0.000 0.000 0.238 62 A C 0.128 177.700 177.584 -0.019 0.000 1.070 62 A CA -0.419 51.617 52.037 -0.002 0.000 0.770 62 A CB -0.005 18.992 19.000 -0.005 0.000 1.008 62 A HN 0.467 nan 8.150 nan 0.000 0.497 63 N N 1.813 120.484 118.700 -0.047 0.000 2.518 63 N HA 0.415 5.155 4.740 -0.000 0.000 0.254 63 N C -1.191 174.223 175.510 -0.160 0.000 0.979 63 N CA -0.213 52.788 53.050 -0.081 0.000 0.930 63 N CB 1.282 39.741 38.487 -0.048 0.000 1.152 63 N HN 0.425 nan 8.380 nan 0.000 0.505 64 I N 0.859 121.231 120.570 -0.330 0.000 2.530 64 I HA 0.182 4.352 4.170 -0.000 0.000 0.297 64 I C 0.189 175.952 176.117 -0.590 0.000 1.011 64 I CA -0.637 60.379 61.300 -0.474 0.000 1.107 64 I CB 2.135 39.745 38.000 -0.650 0.000 1.285 64 I HN 0.281 nan 8.210 nan 0.000 0.436 65 D N 5.189 125.395 120.400 -0.324 0.000 2.453 65 D HA 0.107 4.747 4.640 -0.000 0.000 0.223 65 D C 0.671 176.895 176.300 -0.126 0.000 1.183 65 D CA -0.142 53.745 54.000 -0.188 0.000 0.933 65 D CB 0.350 41.106 40.800 -0.073 0.000 1.038 65 D HN 0.271 nan 8.370 nan 0.000 0.513 66 Y N 2.409 122.760 120.300 0.086 0.000 2.224 66 Y HA -0.125 4.425 4.550 -0.000 0.000 0.289 66 Y C 2.220 178.175 175.900 0.092 0.000 1.146 66 Y CA 0.657 58.830 58.100 0.121 0.000 1.182 66 Y CB -0.368 38.231 38.460 0.232 0.000 0.983 66 Y HN 0.421 nan 8.280 nan 0.000 0.524 67 I N -0.442 120.256 120.570 0.214 0.000 2.179 67 I HA -0.318 3.851 4.170 -0.000 0.000 0.242 67 I C 2.516 178.687 176.117 0.089 0.000 1.088 67 I CA 1.584 62.960 61.300 0.127 0.000 1.357 67 I CB -0.332 37.723 38.000 0.091 0.000 1.051 67 I HN 0.174 nan 8.210 nan 0.000 0.409 68 Q N 1.226 121.065 119.800 0.065 0.000 2.084 68 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 68 Q C 2.037 178.069 176.000 0.053 0.000 0.978 68 Q CA 1.781 57.611 55.803 0.044 0.000 0.844 68 Q CB -0.201 28.549 28.738 0.021 0.000 0.898 68 Q HN 0.489 nan 8.270 nan 0.000 0.426 69 I N -0.116 120.493 120.570 0.065 0.000 2.394 69 I HA -0.216 3.953 4.170 -0.000 0.000 0.251 69 I C 2.068 178.241 176.117 0.093 0.000 1.136 69 I CA 0.947 62.292 61.300 0.076 0.000 1.425 69 I CB -0.751 37.299 38.000 0.083 0.000 1.079 69 I HN 0.271 nan 8.210 nan 0.000 0.425 70 A N 1.180 124.065 122.820 0.109 0.000 1.873 70 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 70 A C 2.426 180.056 177.584 0.078 0.000 1.186 70 A CA 1.315 53.411 52.037 0.098 0.000 0.616 70 A CB -0.546 18.512 19.000 0.097 0.000 0.823 70 A HN 0.286 nan 8.150 nan 0.000 0.442 71 R N -0.361 120.180 120.500 0.068 0.000 2.081 71 R HA -0.127 4.212 4.340 -0.000 0.000 0.235 71 R C 1.640 177.974 176.300 0.056 0.000 1.131 71 R CA 1.491 57.626 56.100 0.058 0.000 0.960 71 R CB -0.414 29.914 30.300 0.047 0.000 0.856 71 R HN 0.470 nan 8.270 nan 0.000 0.436 72 D N -0.414 120.017 120.400 0.052 0.000 2.149 72 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 72 D C 1.750 178.082 176.300 0.052 0.000 0.990 72 D CA 1.507 55.535 54.000 0.046 0.000 0.839 72 D CB -0.271 40.553 40.800 0.040 0.000 0.948 72 D HN 0.196 nan 8.370 nan 0.000 0.460 73 T N 0.724 115.317 114.554 0.065 0.000 2.770 73 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 73 T C 2.238 176.986 174.700 0.080 0.000 1.039 73 T CA 0.384 62.526 62.100 0.071 0.000 1.142 73 T CB -0.129 68.788 68.868 0.082 0.000 0.868 73 T HN 0.142 nan 8.240 nan 0.000 0.435 74 I N 0.967 121.593 120.570 0.093 0.000 2.361 74 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 74 I C 2.660 178.845 176.117 0.113 0.000 1.133 74 I CA 1.189 62.568 61.300 0.131 0.000 1.413 74 I CB -0.282 37.792 38.000 0.123 0.000 1.073 74 I HN 0.170 nan 8.210 nan 0.000 0.424 75 K N 1.354 121.798 120.400 0.073 0.000 2.001 75 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 75 K C 2.385 178.997 176.600 0.020 0.000 1.048 75 K CA 1.337 57.652 56.287 0.047 0.000 0.932 75 K CB -0.135 32.387 32.500 0.037 0.000 0.715 75 K HN 0.167 nan 8.250 nan 0.000 0.437 76 R N 0.833 121.347 120.500 0.024 0.000 2.091 76 R HA -0.121 4.218 4.340 -0.000 0.000 0.238 76 R C 2.271 178.566 176.300 -0.008 0.000 1.136 76 R CA 1.503 57.609 56.100 0.010 0.000 0.959 76 R CB -0.356 29.958 30.300 0.024 0.000 0.856 76 R HN 0.219 nan 8.270 nan 0.000 0.437 77 I N -0.394 120.176 120.570 -0.000 0.000 2.264 77 I HA -0.152 4.017 4.170 -0.000 0.000 0.248 77 I C 1.458 177.471 176.117 -0.173 0.000 1.111 77 I CA 1.793 63.067 61.300 -0.043 0.000 1.382 77 I CB -0.023 37.990 38.000 0.022 0.000 1.060 77 I HN 0.668 nan 8.210 nan 0.000 0.418 78 G N -1.734 106.958 108.800 -0.180 0.000 2.173 78 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.142 78 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.142 78 G C -0.060 174.666 174.900 -0.289 0.000 1.019 78 G CA -0.734 44.223 45.100 -0.238 0.000 0.699 78 G HN 0.107 nan 8.290 nan 0.000 0.495 92 A N 2.230 125.045 122.820 -0.007 0.000 2.511 92 A HA 0.561 4.880 4.320 -0.000 0.000 0.242 92 A C -0.261 177.317 177.584 -0.010 0.000 1.069 92 A CA 0.182 52.214 52.037 -0.007 0.000 0.763 92 A CB 0.189 19.182 19.000 -0.012 0.000 1.001 92 A HN 1.046 nan 8.150 nan 0.000 0.498 93 V N 3.791 123.701 119.914 -0.007 0.000 2.487 93 V HA 0.408 4.527 4.120 -0.000 0.000 0.298 93 V C -0.573 175.506 176.094 -0.024 0.000 1.028 93 V CA -0.511 61.782 62.300 -0.011 0.000 0.860 93 V CB 1.315 33.144 31.823 0.009 0.000 0.991 93 V HN 0.802 nan 8.190 nan 0.000 0.427 94 L N 6.913 128.106 121.223 -0.050 0.000 2.294 94 L HA 0.667 5.006 4.340 -0.000 0.000 0.283 94 L C -0.543 176.251 176.870 -0.127 0.000 1.015 94 L CA 0.018 54.816 54.840 -0.071 0.000 0.831 94 L CB 1.571 43.588 42.059 -0.069 0.000 1.217 94 L HN 0.447 nan 8.230 nan 0.000 0.420 95 V N 5.528 125.365 119.914 -0.128 0.000 2.328 95 V HA 0.680 4.800 4.120 -0.000 0.000 0.278 95 V C 0.666 176.623 176.094 -0.229 0.000 1.021 95 V CA 0.093 62.253 62.300 -0.234 0.000 0.838 95 V CB 0.974 32.731 31.823 -0.111 0.000 0.999 95 V HN 0.911 nan 8.190 nan 0.000 0.447 96 A N 4.552 127.160 122.820 -0.353 0.000 2.705 96 A HA 0.508 4.828 4.320 -0.000 0.000 0.294 96 A C -0.273 177.190 177.584 -0.201 0.000 1.039 96 A CA -0.328 51.581 52.037 -0.213 0.000 1.005 96 A CB -0.061 18.845 19.000 -0.156 0.000 1.192 96 A HN 0.612 nan 8.150 nan 0.000 0.513 97 Y N 0.509 120.734 120.300 -0.126 0.000 2.497 97 Y HA 0.246 4.796 4.550 -0.001 0.000 0.334 97 Y C 0.711 176.564 175.900 -0.079 0.000 1.199 97 Y CA -0.212 57.807 58.100 -0.136 0.000 1.425 97 Y CB 0.438 38.752 38.460 -0.244 0.000 1.291 97 Y HN 0.400 nan 8.280 nan 0.000 0.562 98 D N 3.632 124.102 120.400 0.117 0.000 2.422 98 D HA 0.124 4.764 4.640 -0.000 0.000 0.227 98 D C -0.296 176.036 176.300 0.053 0.000 1.190 98 D CA -0.255 53.783 54.000 0.063 0.000 0.905 98 D CB 0.073 40.895 40.800 0.037 0.000 1.034 98 D HN 0.511 nan 8.370 nan 0.000 0.507 116 L N 0.777 122.017 121.223 0.029 0.000 2.362 116 L HA 0.026 4.365 4.340 -0.000 0.000 0.219 116 L C 0.533 177.426 176.870 0.039 0.000 1.134 116 L CA 0.991 55.855 54.840 0.039 0.000 0.807 116 L CB -0.089 41.996 42.059 0.043 0.000 0.927 116 L HN -0.037 nan 8.230 nan 0.000 0.447 117 D N 0.203 120.621 120.400 0.031 0.000 2.325 117 D HA -0.040 4.599 4.640 -0.000 0.000 0.234 117 D C 0.862 177.178 176.300 0.028 0.000 1.122 117 D CA 0.203 54.222 54.000 0.031 0.000 0.850 117 D CB 0.143 40.959 40.800 0.025 0.000 0.921 117 D HN 0.284 nan 8.370 nan 0.000 0.513 118 Q N 0.817 120.632 119.800 0.024 0.000 2.274 118 Q HA 0.179 4.519 4.340 -0.000 0.000 0.280 118 Q C 0.305 176.318 176.000 0.022 0.000 1.047 118 Q CA -0.000 55.813 55.803 0.017 0.000 0.907 118 Q CB 0.817 29.562 28.738 0.011 0.000 1.171 118 Q HN 0.129 nan 8.270 nan 0.000 0.381 119 G N 2.510 111.322 108.800 0.020 0.000 2.527 119 G HA2 0.396 4.355 3.960 -0.000 0.000 0.248 119 G HA3 0.396 4.355 3.960 -0.000 0.000 0.248 119 G C -0.463 174.444 174.900 0.011 0.000 1.231 119 G CA 0.007 45.125 45.100 0.029 0.000 0.838 119 G HN 0.861 nan 8.290 nan 0.000 0.570 120 A N 0.397 123.229 122.820 0.020 0.000 2.531 120 A HA 0.452 4.772 4.320 -0.000 0.000 0.236 120 A C 1.727 179.292 177.584 -0.032 0.000 1.062 120 A CA 0.585 52.598 52.037 -0.040 0.000 0.760 120 A CB 0.316 19.299 19.000 -0.028 0.000 0.995 120 A HN 1.391 nan 8.150 nan 0.000 0.501 121 G N 0.232 108.995 108.800 -0.061 0.000 2.679 121 G HA2 0.279 4.238 3.960 -0.000 0.000 0.212 121 G HA3 0.279 4.238 3.960 -0.000 0.000 0.212 121 G C 0.222 175.103 174.900 -0.032 0.000 1.137 121 G CA 1.106 46.181 45.100 -0.042 0.000 0.787 121 G HN 0.846 nan 8.290 nan 0.000 0.534 122 D N -1.954 118.427 120.400 -0.030 0.000 2.694 122 D HA 0.192 4.832 4.640 -0.000 0.000 0.260 122 D C -0.344 175.967 176.300 0.018 0.000 1.250 122 D CA -0.639 53.355 54.000 -0.009 0.000 0.763 122 D CB 0.615 41.404 40.800 -0.019 0.000 1.311 122 D HN 0.192 nan 8.370 nan 0.000 0.420 123 Q N 0.392 120.213 119.800 0.035 0.000 2.316 123 Q HA 0.707 5.047 4.340 -0.000 0.000 0.215 123 Q C 0.214 176.255 176.000 0.068 0.000 1.020 123 Q CA -0.528 55.314 55.803 0.064 0.000 0.970 123 Q CB 1.383 30.148 28.738 0.044 0.000 1.187 123 Q HN 0.587 nan 8.270 nan 0.000 0.546 124 G N -0.198 108.656 108.800 0.090 0.000 2.352 124 G HA2 0.330 4.290 3.960 -0.000 0.000 0.302 124 G HA3 0.330 4.290 3.960 -0.000 0.000 0.302 124 G C -1.672 173.276 174.900 0.081 0.000 1.370 124 G CA -0.611 44.534 45.100 0.076 0.000 0.918 124 G HN 0.886 nan 8.290 nan 0.000 0.610 125 L N -2.567 118.681 121.223 0.041 0.000 2.342 125 L HA 1.028 5.368 4.340 -0.000 0.000 0.271 125 L C -0.399 176.449 176.870 -0.037 0.000 1.008 125 L CA -1.190 53.626 54.840 -0.039 0.000 0.818 125 L CB 2.116 44.120 42.059 -0.092 0.000 1.296 125 L HN 0.523 nan 8.230 nan 0.000 0.427 126 M N 2.342 121.858 119.600 -0.140 0.000 2.433 126 M HA 0.604 5.084 4.480 -0.000 0.000 0.290 126 M C -1.301 174.861 176.300 -0.229 0.000 1.173 126 M CA 0.141 55.398 55.300 -0.071 0.000 0.905 126 M CB 2.443 35.080 32.600 0.062 0.000 1.692 126 M HN 0.396 nan 8.290 nan 0.000 0.462 127 F N 0.180 120.150 119.950 0.034 0.000 2.508 127 F HA 0.868 5.395 4.527 -0.001 0.000 0.325 127 F C 0.645 176.521 175.800 0.127 0.000 1.090 127 F CA -0.689 57.345 58.000 0.055 0.000 0.945 127 F CB 2.275 41.299 39.000 0.040 0.000 1.156 127 F HN 0.611 nan 8.300 nan 0.000 0.463 128 G N 1.493 110.459 108.800 0.276 0.000 2.482 128 G HA2 0.569 4.529 3.960 -0.000 0.000 0.317 128 G HA3 0.569 4.529 3.960 -0.000 0.000 0.317 128 G C -2.553 172.406 174.900 0.097 0.000 1.241 128 G CA -0.620 44.587 45.100 0.180 0.000 0.967 128 G HN 0.520 nan 8.290 nan 0.000 0.482 129 Y N 0.163 120.281 120.300 -0.302 0.000 2.581 129 Y HA 0.705 5.255 4.550 -0.000 0.000 0.337 129 Y C -0.661 175.070 175.900 -0.282 0.000 1.108 129 Y CA -0.580 57.232 58.100 -0.479 0.000 1.033 129 Y CB 2.190 40.032 38.460 -1.031 0.000 1.318 129 Y HN 1.070 nan 8.280 nan 0.000 0.459 130 A N 2.342 124.638 122.820 -0.873 0.000 2.604 130 A HA 0.851 5.171 4.320 -0.000 0.000 0.295 130 A C -1.371 175.736 177.584 -0.795 0.000 1.067 130 A CA -0.107 51.561 52.037 -0.615 0.000 0.683 130 A CB 0.480 19.329 19.000 -0.251 0.000 1.281 130 A HN 1.697 nan 8.150 nan 0.000 0.407 131 C N -0.039 118.991 119.300 -0.450 0.000 3.312 131 C HA 0.756 5.216 4.460 -0.000 0.000 0.332 131 C C -0.145 174.762 174.990 -0.138 0.000 1.340 131 C CA -0.018 58.820 59.018 -0.299 0.000 1.265 131 C CB 1.476 29.042 27.740 -0.291 0.000 1.563 131 C HN 1.055 nan 8.230 nan 0.000 0.471 132 D N -0.329 120.019 120.400 -0.087 0.000 2.323 132 D HA 0.020 4.660 4.640 -0.000 0.000 0.239 132 D C 1.001 177.281 176.300 -0.034 0.000 1.129 132 D CA 0.209 54.178 54.000 -0.053 0.000 0.865 132 D CB -0.407 40.371 40.800 -0.038 0.000 0.913 132 D HN 0.825 nan 8.370 nan 0.000 0.517 133 E N -0.081 120.104 120.200 -0.025 0.000 2.274 133 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 133 E C 0.416 177.001 176.600 -0.025 0.000 0.996 133 E CA 0.934 57.330 56.400 -0.006 0.000 0.840 133 E CB 0.183 29.907 29.700 0.040 0.000 0.772 133 E HN 0.502 nan 8.360 nan 0.000 0.491 134 T N -3.401 111.120 114.554 -0.056 0.000 2.883 134 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 134 T C -2.533 172.114 174.700 -0.088 0.000 1.117 134 T CA -1.957 60.084 62.100 -0.097 0.000 1.006 134 T CB 1.896 70.609 68.868 -0.258 0.000 1.191 134 T HN -0.342 nan 8.240 nan 0.000 0.508 135 P HA 0.042 nan 4.420 nan 0.000 0.220 135 P C 0.749 178.024 177.300 -0.042 0.000 1.148 135 P CA 0.830 63.906 63.100 -0.040 0.000 0.803 135 P CB 0.011 31.702 31.700 -0.015 0.000 0.782 136 E N -0.603 119.549 120.200 -0.080 0.000 2.511 136 E HA 0.095 4.445 4.350 -0.000 0.000 0.196 136 E C 0.480 177.067 176.600 -0.021 0.000 1.066 136 E CA 0.018 56.395 56.400 -0.039 0.000 0.871 136 E CB -0.660 29.016 29.700 -0.040 0.000 0.863 136 E HN 0.088 nan 8.360 nan 0.000 0.520 137 L N -0.133 121.058 121.223 -0.052 0.000 3.548 137 L HA -0.217 4.122 4.340 -0.000 0.000 0.443 137 L C -0.559 176.303 176.870 -0.014 0.000 1.286 137 L CA 0.129 54.942 54.840 -0.045 0.000 0.863 137 L CB -1.526 40.510 42.059 -0.038 0.000 1.734 137 L HN 0.257 nan 8.230 nan 0.000 0.873 138 M N 0.137 119.739 119.600 0.003 0.000 2.598 138 M HA 0.589 5.068 4.480 -0.000 0.000 0.317 138 M C -2.209 174.168 176.300 0.128 0.000 1.179 138 M CA -2.050 53.333 55.300 0.138 0.000 0.936 138 M CB 1.790 34.512 32.600 0.204 0.000 1.713 138 M HN -0.248 nan 8.290 nan 0.000 0.460 139 P HA 0.046 nan 4.420 nan 0.000 0.269 139 P C 0.701 178.142 177.300 0.235 0.000 1.209 139 P CA -0.313 62.926 63.100 0.232 0.000 0.776 139 P CB 0.770 32.640 31.700 0.284 0.000 0.876 140 L N 5.617 126.962 121.223 0.203 0.000 1.994 140 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 140 L C -0.862 176.158 176.870 0.250 0.000 1.071 140 L CA 2.562 57.521 54.840 0.199 0.000 0.745 140 L CB -2.342 39.780 42.059 0.105 0.000 0.892 140 L HN 0.325 nan 8.230 nan 0.000 0.431 141 P HA -0.181 nan 4.420 nan 0.000 0.215 141 P C 1.965 179.394 177.300 0.215 0.000 1.157 141 P CA 1.387 64.647 63.100 0.267 0.000 0.868 141 P CB -0.088 31.852 31.700 0.401 0.000 0.788 142 I N -1.395 119.317 120.570 0.236 0.000 2.286 142 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 142 I C 2.353 178.554 176.117 0.140 0.000 1.115 142 I CA 1.599 62.977 61.300 0.130 0.000 1.392 142 I CB -1.005 37.112 38.000 0.195 0.000 1.065 142 I HN 0.034 nan 8.210 nan 0.000 0.418 143 H N 0.309 119.493 119.070 0.190 0.000 2.319 143 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 143 H C 2.236 177.670 175.328 0.176 0.000 1.092 143 H CA 2.133 58.318 56.048 0.228 0.000 1.302 143 H CB -0.007 29.874 29.762 0.199 0.000 1.373 143 H HN 0.327 nan 8.280 nan 0.000 0.497 144 L N 0.010 121.311 121.223 0.129 0.000 2.083 144 L HA -0.159 4.180 4.340 -0.000 0.000 0.209 144 L C 2.846 179.740 176.870 0.041 0.000 1.083 144 L CA 1.053 55.927 54.840 0.055 0.000 0.752 144 L CB -0.322 41.798 42.059 0.103 0.000 0.899 144 L HN 0.214 nan 8.230 nan 0.000 0.433 145 S N -1.367 114.356 115.700 0.038 0.000 2.356 145 S HA -0.195 4.274 4.470 -0.000 0.000 0.223 145 S C 1.899 176.519 174.600 0.033 0.000 1.032 145 S CA 0.984 59.189 58.200 0.008 0.000 1.005 145 S CB -0.418 62.752 63.200 -0.050 0.000 0.867 145 S HN 0.445 nan 8.310 nan 0.000 0.449 146 H N 1.041 120.171 119.070 0.100 0.000 2.353 146 H HA 0.077 4.633 4.556 -0.000 0.000 0.300 146 H C 2.459 177.817 175.328 0.049 0.000 1.090 146 H CA 1.373 57.498 56.048 0.129 0.000 1.327 146 H CB -0.212 29.630 29.762 0.133 0.000 1.383 146 H HN 0.136 nan 8.280 nan 0.000 0.508 147 R N 0.449 120.991 120.500 0.069 0.000 2.096 147 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 147 R C 2.714 179.003 176.300 -0.018 0.000 1.127 147 R CA 0.466 56.540 56.100 -0.043 0.000 0.968 147 R CB -0.668 29.560 30.300 -0.119 0.000 0.861 147 R HN 0.254 nan 8.270 nan 0.000 0.440 148 L N -0.169 121.071 121.223 0.029 0.000 2.017 148 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 148 L C 2.176 179.076 176.870 0.051 0.000 1.073 148 L CA 1.346 56.210 54.840 0.039 0.000 0.745 148 L CB -0.558 41.540 42.059 0.065 0.000 0.894 148 L HN 0.124 nan 8.230 nan 0.000 0.432 149 V N -3.592 116.390 119.914 0.112 0.000 2.548 149 V HA -0.189 3.930 4.120 -0.000 0.000 0.249 149 V C 2.144 178.279 176.094 0.069 0.000 1.055 149 V CA 1.491 63.895 62.300 0.172 0.000 1.065 149 V CB -0.664 31.347 31.823 0.314 0.000 0.681 149 V HN 0.436 nan 8.190 nan 0.000 0.462 150 E N 0.708 120.814 120.200 -0.156 0.000 2.085 150 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 150 E C 2.362 178.794 176.600 -0.280 0.000 0.994 150 E CA 1.596 57.654 56.400 -0.569 0.000 0.801 150 E CB -0.101 29.239 29.700 -0.599 0.000 0.743 150 E HN 0.528 nan 8.360 nan 0.000 0.453 151 R N 1.100 121.507 120.500 -0.154 0.000 2.083 151 R HA -0.232 4.108 4.340 -0.000 0.000 0.237 151 R C 2.292 178.534 176.300 -0.096 0.000 1.137 151 R CA 2.357 58.392 56.100 -0.108 0.000 0.951 151 R CB -0.519 29.741 30.300 -0.068 0.000 0.851 151 R HN 0.214 nan 8.270 nan 0.000 0.434 152 Q N -0.473 119.288 119.800 -0.064 0.000 2.167 152 Q HA 0.069 4.408 4.340 -0.000 0.000 0.202 152 Q C 1.851 177.801 176.000 -0.084 0.000 0.970 152 Q CA 1.894 57.658 55.803 -0.065 0.000 0.855 152 Q CB -0.631 28.097 28.738 -0.017 0.000 0.911 152 Q HN 0.309 nan 8.270 nan 0.000 0.438 153 A N 0.929 123.711 122.820 -0.063 0.000 1.898 153 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 153 A C 1.890 179.414 177.584 -0.099 0.000 1.181 153 A CA 1.416 53.419 52.037 -0.058 0.000 0.620 153 A CB -0.703 18.303 19.000 0.009 0.000 0.819 153 A HN 0.476 nan 8.150 nan 0.000 0.442 154 N N 0.496 119.120 118.700 -0.125 0.000 2.043 154 N HA -0.127 4.612 4.740 -0.000 0.000 0.193 154 N C 1.616 177.057 175.510 -0.117 0.000 1.037 154 N CA 1.561 54.540 53.050 -0.117 0.000 0.851 154 N CB -0.628 37.786 38.487 -0.121 0.000 1.027 154 N HN 0.495 nan 8.380 nan 0.000 0.422 155 L N 0.576 121.721 121.223 -0.130 0.000 2.191 155 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 155 L C 2.576 179.327 176.870 -0.199 0.000 1.103 155 L CA 0.764 55.510 54.840 -0.158 0.000 0.769 155 L CB -0.257 41.698 42.059 -0.173 0.000 0.908 155 L HN 0.182 nan 8.230 nan 0.000 0.438 156 R N 0.417 120.802 120.500 -0.192 0.000 2.062 156 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 156 R C 2.451 178.662 176.300 -0.148 0.000 1.136 156 R CA 1.389 57.371 56.100 -0.196 0.000 0.948 156 R CB -0.042 30.160 30.300 -0.165 0.000 0.845 156 R HN 0.212 nan 8.270 nan 0.000 0.430 157 R N 0.172 120.602 120.500 -0.116 0.000 2.189 157 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 157 R C 1.091 177.341 176.300 -0.082 0.000 1.074 157 R CA 1.351 57.397 56.100 -0.090 0.000 0.991 157 R CB -0.017 30.240 30.300 -0.072 0.000 0.883 157 R HN 0.471 nan 8.270 nan 0.000 0.457 158 D N -1.169 119.177 120.400 -0.090 0.000 2.339 158 D HA 0.045 4.685 4.640 -0.000 0.000 0.217 158 D C 1.003 177.254 176.300 -0.081 0.000 1.050 158 D CA 0.580 54.534 54.000 -0.077 0.000 0.856 158 D CB 0.291 41.048 40.800 -0.073 0.000 0.922 158 D HN 0.173 nan 8.370 nan 0.000 0.518 159 G N 0.793 109.532 108.800 -0.102 0.000 2.153 159 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.252 159 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.252 159 G C 1.197 176.031 174.900 -0.110 0.000 0.994 159 G CA 0.428 45.466 45.100 -0.103 0.000 0.698 159 G HN 0.426 nan 8.290 nan 0.000 0.521 160 R N -0.842 119.583 120.500 -0.125 0.000 2.075 160 R HA 0.172 4.511 4.340 -0.000 0.000 0.232 160 R C 1.021 177.218 176.300 -0.172 0.000 1.126 160 R CA 1.048 57.079 56.100 -0.115 0.000 0.963 160 R CB -0.056 30.184 30.300 -0.100 0.000 0.858 160 R HN 0.447 nan 8.270 nan 0.000 0.435 161 L N 1.975 123.005 121.223 -0.322 0.000 2.445 161 L HA 0.285 4.625 4.340 -0.000 0.000 0.252 161 L C -1.880 174.549 176.870 -0.735 0.000 1.105 161 L CA -1.534 52.901 54.840 -0.674 0.000 0.943 161 L CB 1.829 43.342 42.059 -0.910 0.000 1.277 161 L HN -0.062 nan 8.230 nan 0.000 0.465 162 P HA -0.111 nan 4.420 nan 0.000 0.233 162 P C 1.150 178.363 177.300 -0.145 0.000 1.167 162 P CA 0.732 63.697 63.100 -0.226 0.000 0.770 162 P CB 0.034 31.692 31.700 -0.070 0.000 0.837 163 W N -0.613 120.687 121.300 -0.001 0.000 3.047 163 W HA 0.212 4.872 4.660 -0.001 0.000 0.250 163 W C 0.265 176.800 176.519 0.026 0.000 1.314 163 W CA -0.550 56.806 57.345 0.018 0.000 1.540 163 W CB -1.285 28.192 29.460 0.028 0.000 1.127 163 W HN -0.214 nan 8.180 nan 0.000 0.679 164 L N 2.470 123.503 121.223 -0.316 0.000 2.483 164 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 164 L C 0.887 177.711 176.870 -0.077 0.000 1.220 164 L CA 0.452 55.178 54.840 -0.189 0.000 0.833 164 L CB 0.133 41.961 42.059 -0.385 0.000 1.102 164 L HN -0.212 nan 8.230 nan 0.000 0.490 165 R N 1.791 122.250 120.500 -0.067 0.000 2.930 165 R HA 0.361 4.700 4.340 -0.000 0.000 0.257 165 R C -1.877 174.326 176.300 -0.162 0.000 1.107 165 R CA -2.053 53.978 56.100 -0.115 0.000 0.999 165 R CB 0.401 30.647 30.300 -0.091 0.000 1.209 165 R HN 0.173 nan 8.270 nan 0.000 0.486 166 P HA -0.111 nan 4.420 nan 0.000 0.216 166 P C -0.037 177.224 177.300 -0.065 0.000 1.153 166 P CA 1.206 64.160 63.100 -0.243 0.000 0.848 166 P CB 0.126 31.431 31.700 -0.658 0.000 0.787 167 D N -0.181 120.216 120.400 -0.006 0.000 2.383 167 D HA 0.378 5.018 4.640 -0.000 0.000 0.252 167 D C -0.469 175.853 176.300 0.038 0.000 1.166 167 D CA 0.200 54.254 54.000 0.090 0.000 0.879 167 D CB 0.265 41.150 40.800 0.140 0.000 1.164 167 D HN 0.001 nan 8.370 nan 0.000 0.462 168 A N 3.454 126.388 122.820 0.189 0.000 2.606 168 A HA 0.660 4.980 4.320 -0.000 0.000 0.293 168 A C -1.035 176.709 177.584 0.266 0.000 1.082 168 A CA -0.816 51.356 52.037 0.226 0.000 0.685 168 A CB 1.589 20.678 19.000 0.147 0.000 1.284 168 A HN 0.455 nan 8.150 nan 0.000 0.408 169 K N 0.408 120.961 120.400 0.255 0.000 2.501 169 K HA 0.655 4.975 4.320 -0.000 0.000 0.252 169 K C -0.885 175.807 176.600 0.153 0.000 0.934 169 K CA -0.165 56.240 56.287 0.197 0.000 0.797 169 K CB 1.919 34.546 32.500 0.210 0.000 1.270 169 K HN 1.038 nan 8.250 nan 0.000 0.431 170 S N 2.410 118.179 115.700 0.115 0.000 2.542 170 S HA 0.456 4.926 4.470 -0.000 0.000 0.293 170 S C -1.141 173.501 174.600 0.069 0.000 1.089 170 S CA -0.800 57.459 58.200 0.098 0.000 0.961 170 S CB 1.972 65.230 63.200 0.097 0.000 1.062 170 S HN 0.611 nan 8.310 nan 0.000 0.483 171 Q N 1.682 121.524 119.800 0.070 0.000 2.285 171 Q HA 0.587 4.927 4.340 -0.000 0.000 0.269 171 Q C -2.053 173.987 176.000 0.066 0.000 1.030 171 Q CA -0.706 55.129 55.803 0.053 0.000 0.788 171 Q CB 2.093 30.855 28.738 0.040 0.000 1.266 171 Q HN 0.727 nan 8.270 nan 0.000 0.438 172 V N 2.889 122.845 119.914 0.070 0.000 2.444 172 V HA 0.441 4.561 4.120 -0.000 0.000 0.294 172 V C -0.438 175.715 176.094 0.099 0.000 1.022 172 V CA -0.557 61.795 62.300 0.088 0.000 0.850 172 V CB 1.892 33.776 31.823 0.102 0.000 0.992 172 V HN 0.782 nan 8.190 nan 0.000 0.426 173 T N 4.646 119.251 114.554 0.084 0.000 2.756 173 T HA 0.562 4.912 4.350 -0.000 0.000 0.290 173 T C -0.237 174.530 174.700 0.112 0.000 0.985 173 T CA -0.318 61.840 62.100 0.097 0.000 0.955 173 T CB 1.363 70.263 68.868 0.054 0.000 0.930 173 T HN 0.350 nan 8.240 nan 0.000 0.451 174 V N 4.038 124.064 119.914 0.187 0.000 2.459 174 V HA 0.474 4.594 4.120 -0.000 0.000 0.295 174 V C 0.441 176.620 176.094 0.141 0.000 1.029 174 V CA -1.090 61.288 62.300 0.129 0.000 0.874 174 V CB 1.692 33.579 31.823 0.106 0.000 0.985 174 V HN 0.716 nan 8.190 nan 0.000 0.438 175 R N 3.279 123.791 120.500 0.021 0.000 2.298 175 R HA 0.368 4.708 4.340 -0.000 0.000 0.310 175 R C -1.502 174.729 176.300 -0.115 0.000 1.068 175 R CA -0.215 55.884 56.100 -0.002 0.000 0.957 175 R CB 0.411 30.710 30.300 -0.001 0.000 1.003 175 R HN 0.685 nan 8.270 nan 0.000 0.454 176 Y N 3.077 123.158 120.300 -0.365 0.000 2.341 176 Y HA 0.421 4.971 4.550 -0.000 0.000 0.337 176 Y C -0.219 175.508 175.900 -0.290 0.000 1.014 176 Y CA -0.799 57.055 58.100 -0.410 0.000 1.111 176 Y CB 2.114 40.080 38.460 -0.824 0.000 1.194 176 Y HN 0.185 nan 8.280 nan 0.000 0.462 177 V N 2.634 122.545 119.914 -0.005 0.000 2.709 177 V HA 0.248 4.368 4.120 -0.000 0.000 0.308 177 V C -0.245 175.889 176.094 0.068 0.000 1.062 177 V CA -1.074 61.233 62.300 0.011 0.000 0.901 177 V CB 1.745 33.530 31.823 -0.064 0.000 1.003 177 V HN 0.906 nan 8.190 nan 0.000 0.425 178 D N 2.945 123.394 120.400 0.081 0.000 3.041 178 D HA -0.177 4.463 4.640 -0.000 0.000 0.220 178 D C 1.253 177.621 176.300 0.113 0.000 1.157 178 D CA 2.008 56.058 54.000 0.085 0.000 0.876 178 D CB -0.993 39.846 40.800 0.065 0.000 1.107 178 D HN 1.705 nan 8.370 nan 0.000 0.422 179 G N -1.561 107.341 108.800 0.170 0.000 2.225 179 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.267 179 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.267 179 G C 0.276 175.327 174.900 0.252 0.000 1.024 179 G CA 1.649 46.883 45.100 0.224 0.000 0.784 179 G HN 1.163 nan 8.290 nan 0.000 0.507 180 K N -0.578 119.942 120.400 0.199 0.000 2.502 180 K HA 0.877 5.197 4.320 -0.000 0.000 0.257 180 K C -3.104 173.391 176.600 -0.176 0.000 0.938 180 K CA -1.397 54.931 56.287 0.069 0.000 0.819 180 K CB 1.616 34.133 32.500 0.028 0.000 1.333 180 K HN 0.054 nan 8.250 nan 0.000 0.434 181 P HA 0.128 nan 4.420 nan 0.000 0.267 181 P C -0.186 176.970 177.300 -0.241 0.000 1.205 181 P CA 0.191 62.929 63.100 -0.603 0.000 0.765 181 P CB 0.573 31.973 31.700 -0.499 0.000 0.828 182 H N 1.472 120.374 119.070 -0.279 0.000 2.501 182 H HA 0.172 4.727 4.556 -0.000 0.000 0.281 182 H C 0.162 175.421 175.328 -0.116 0.000 0.988 182 H CA 0.747 56.705 56.048 -0.151 0.000 1.232 182 H CB 0.946 30.640 29.762 -0.114 0.000 1.455 182 H HN 0.472 nan 8.280 nan 0.000 0.501 183 S N -0.195 115.516 115.700 0.019 0.000 2.636 183 S HA 0.411 4.881 4.470 -0.000 0.000 0.268 183 S C -1.176 173.419 174.600 -0.009 0.000 1.159 183 S CA -0.980 57.222 58.200 0.003 0.000 0.815 183 S CB 1.512 64.784 63.200 0.119 0.000 1.130 183 S HN 0.123 nan 8.310 nan 0.000 0.471 184 I N 1.775 122.339 120.570 -0.009 0.000 2.328 184 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 184 I C 0.756 176.858 176.117 -0.025 0.000 1.012 184 I CA -0.437 60.861 61.300 -0.003 0.000 1.195 184 I CB 1.334 39.342 38.000 0.013 0.000 1.350 184 I HN 0.943 nan 8.210 nan 0.000 0.464 185 D N 4.298 124.691 120.400 -0.010 0.000 2.084 185 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 185 D C 0.213 176.470 176.300 -0.071 0.000 0.981 185 D CA 1.471 55.452 54.000 -0.031 0.000 0.841 185 D CB 0.510 41.309 40.800 -0.001 0.000 0.997 185 D HN 0.426 nan 8.370 nan 0.000 0.454 186 T N 0.045 114.576 114.554 -0.038 0.000 2.916 186 T HA 0.531 4.881 4.350 -0.000 0.000 0.298 186 T C -1.189 173.518 174.700 0.011 0.000 1.031 186 T CA -0.770 61.303 62.100 -0.045 0.000 0.993 186 T CB 2.231 71.088 68.868 -0.019 0.000 1.045 186 T HN -0.138 nan 8.240 nan 0.000 0.454 187 V N 3.313 123.252 119.914 0.041 0.000 2.448 187 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 187 V C -0.265 175.913 176.094 0.140 0.000 1.025 187 V CA -0.784 61.590 62.300 0.122 0.000 0.859 187 V CB 1.683 33.635 31.823 0.215 0.000 0.988 187 V HN 0.700 nan 8.190 nan 0.000 0.431 188 V N 6.283 126.264 119.914 0.111 0.000 2.417 188 V HA 0.557 4.677 4.120 -0.000 0.000 0.291 188 V C -0.392 175.774 176.094 0.119 0.000 1.024 188 V CA -0.498 61.869 62.300 0.110 0.000 0.861 188 V CB 1.752 33.622 31.823 0.080 0.000 0.985 188 V HN 0.731 nan 8.190 nan 0.000 0.436 189 L N 4.250 125.553 121.223 0.133 0.000 2.441 189 L HA 0.601 4.940 4.340 -0.000 0.000 0.270 189 L C -0.366 176.604 176.870 0.167 0.000 0.973 189 L CA 0.180 55.104 54.840 0.141 0.000 0.842 189 L CB 1.954 44.090 42.059 0.128 0.000 1.239 189 L HN 0.666 nan 8.230 nan 0.000 0.406 190 S N 2.180 118.003 115.700 0.205 0.000 2.451 190 S HA 0.644 5.114 4.470 -0.000 0.000 0.301 190 S C -0.450 174.373 174.600 0.373 0.000 1.116 190 S CA -0.428 57.949 58.200 0.296 0.000 1.093 190 S CB 1.754 65.126 63.200 0.287 0.000 1.017 190 S HN 0.621 nan 8.310 nan 0.000 0.482 191 T N 2.210 116.993 114.554 0.381 0.000 2.893 191 T HA 0.360 4.709 4.350 -0.000 0.000 0.293 191 T C -0.741 173.930 174.700 -0.049 0.000 1.027 191 T CA -0.626 61.584 62.100 0.184 0.000 0.988 191 T CB 1.347 70.305 68.868 0.150 0.000 1.043 191 T HN 0.642 nan 8.240 nan 0.000 0.461 192 Q N 2.281 121.622 119.800 -0.767 0.000 2.454 192 Q HA 0.361 4.701 4.340 -0.000 0.000 0.247 192 Q C -0.721 175.187 176.000 -0.153 0.000 1.028 192 Q CA 0.221 55.435 55.803 -0.983 0.000 0.910 192 Q CB 0.285 28.450 28.738 -0.956 0.000 1.276 192 Q HN 0.919 nan 8.270 nan 0.000 0.489 193 H N -1.410 117.605 119.070 -0.091 0.000 3.037 193 H HA 0.620 5.176 4.556 -0.000 0.000 0.336 193 H C -1.602 173.788 175.328 0.104 0.000 1.323 193 H CA -0.543 55.573 56.048 0.113 0.000 1.159 193 H CB 0.519 30.427 29.762 0.242 0.000 1.882 193 H HN 0.701 nan 8.280 nan 0.000 0.535 194 A N 1.762 124.744 122.820 0.269 0.000 2.483 194 A HA 0.262 4.582 4.320 -0.000 0.000 0.238 194 A C -1.372 176.338 177.584 0.209 0.000 1.070 194 A CA -0.704 51.438 52.037 0.176 0.000 0.770 194 A CB -0.262 18.861 19.000 0.205 0.000 1.008 194 A HN 0.794 nan 8.150 nan 0.000 0.497 195 P HA -0.105 nan 4.420 nan 0.000 0.223 195 P C 0.539 177.898 177.300 0.100 0.000 1.151 195 P CA 1.143 64.303 63.100 0.100 0.000 0.787 195 P CB 0.170 31.899 31.700 0.049 0.000 0.788 196 E N -0.272 119.976 120.200 0.080 0.000 2.268 196 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 196 E C 1.184 177.771 176.600 -0.022 0.000 0.995 196 E CA 0.299 56.720 56.400 0.034 0.000 0.836 196 E CB -0.359 29.365 29.700 0.040 0.000 0.763 196 E HN 0.335 nan 8.360 nan 0.000 0.491 197 I N 2.006 122.544 120.570 -0.054 0.000 2.440 197 I HA 0.042 4.212 4.170 -0.000 0.000 0.294 197 I C -0.329 175.656 176.117 -0.219 0.000 0.995 197 I CA -0.818 60.336 61.300 -0.245 0.000 1.306 197 I CB 0.723 38.374 38.000 -0.581 0.000 1.407 197 I HN 0.015 nan 8.210 nan 0.000 0.501 198 D N 6.392 126.650 120.400 -0.236 0.000 2.264 198 D HA 0.048 4.688 4.640 -0.000 0.000 0.249 198 D C 0.907 177.057 176.300 -0.251 0.000 1.070 198 D CA -0.585 53.305 54.000 -0.183 0.000 0.912 198 D CB 1.944 42.670 40.800 -0.123 0.000 1.193 198 D HN 0.287 nan 8.370 nan 0.000 0.427 199 L N 2.097 123.210 121.223 -0.184 0.000 1.971 199 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 199 L C -0.618 176.164 176.870 -0.146 0.000 1.072 199 L CA 1.974 56.712 54.840 -0.170 0.000 0.758 199 L CB -2.263 39.749 42.059 -0.078 0.000 0.889 199 L HN 0.454 nan 8.230 nan 0.000 0.433 200 P HA -0.284 nan 4.420 nan 0.000 0.219 200 P C 1.514 178.751 177.300 -0.106 0.000 1.161 200 P CA 2.556 65.607 63.100 -0.081 0.000 0.909 200 P CB -0.138 31.522 31.700 -0.067 0.000 0.793 201 A N -1.398 121.328 122.820 -0.157 0.000 1.929 201 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 201 A C 2.272 179.709 177.584 -0.244 0.000 1.176 201 A CA 1.121 53.049 52.037 -0.182 0.000 0.628 201 A CB -1.534 17.335 19.000 -0.219 0.000 0.816 201 A HN 0.189 nan 8.150 nan 0.000 0.444 202 L N -0.502 120.505 121.223 -0.361 0.000 2.017 202 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 202 L C 2.689 179.502 176.870 -0.094 0.000 1.073 202 L CA 1.637 56.241 54.840 -0.394 0.000 0.745 202 L CB -0.289 41.480 42.059 -0.483 0.000 0.894 202 L HN 0.326 nan 8.230 nan 0.000 0.432 203 R N -0.292 120.161 120.500 -0.077 0.000 2.096 203 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 203 R C 2.391 178.683 176.300 -0.013 0.000 1.127 203 R CA 1.550 57.642 56.100 -0.013 0.000 0.968 203 R CB -0.609 29.688 30.300 -0.006 0.000 0.861 203 R HN 0.615 nan 8.270 nan 0.000 0.440 204 E N 1.054 121.236 120.200 -0.030 0.000 2.072 204 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 204 E C 1.965 178.560 176.600 -0.009 0.000 0.985 204 E CA 1.117 57.500 56.400 -0.029 0.000 0.801 204 E CB -0.564 29.117 29.700 -0.031 0.000 0.750 204 E HN 0.478 nan 8.360 nan 0.000 0.452 205 A N 0.339 123.183 122.820 0.040 0.000 1.908 205 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 205 A C 2.718 180.370 177.584 0.112 0.000 1.181 205 A CA 1.844 53.959 52.037 0.130 0.000 0.627 205 A CB -0.575 18.628 19.000 0.339 0.000 0.818 205 A HN 0.443 nan 8.150 nan 0.000 0.445 206 V N 0.026 120.011 119.914 0.119 0.000 2.358 206 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 206 V C 2.412 178.486 176.094 -0.034 0.000 1.047 206 V CA 1.855 64.198 62.300 0.072 0.000 1.035 206 V CB -0.574 31.314 31.823 0.108 0.000 0.658 206 V HN 0.567 nan 8.190 nan 0.000 0.452 207 I N -0.270 120.237 120.570 -0.104 0.000 2.179 207 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 207 I C 2.618 178.574 176.117 -0.268 0.000 1.088 207 I CA 1.420 62.538 61.300 -0.303 0.000 1.357 207 I CB -0.336 37.420 38.000 -0.408 0.000 1.051 207 I HN 0.319 nan 8.210 nan 0.000 0.409 208 E N 0.533 120.642 120.200 -0.152 0.000 2.152 208 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 208 E C 1.874 178.433 176.600 -0.069 0.000 0.983 208 E CA 1.061 57.398 56.400 -0.105 0.000 0.818 208 E CB -0.044 29.621 29.700 -0.059 0.000 0.758 208 E HN 0.611 nan 8.360 nan 0.000 0.467 209 E N -0.114 120.059 120.200 -0.046 0.000 2.372 209 E HA 0.046 4.395 4.350 -0.000 0.000 0.201 209 E C 2.042 178.617 176.600 -0.043 0.000 0.938 209 E CA 0.267 56.646 56.400 -0.035 0.000 0.944 209 E CB 0.708 30.398 29.700 -0.016 0.000 0.937 209 E HN 0.025 nan 8.360 nan 0.000 0.495 210 V N 1.173 121.063 119.914 -0.040 0.000 2.521 210 V HA -0.020 4.100 4.120 -0.000 0.000 0.239 210 V C 2.197 178.275 176.094 -0.026 0.000 1.053 210 V CA 0.628 62.909 62.300 -0.031 0.000 1.073 210 V CB -0.130 31.687 31.823 -0.010 0.000 0.746 210 V HN 0.103 nan 8.190 nan 0.000 0.476 211 I N -0.084 120.459 120.570 -0.045 0.000 2.188 211 I HA -0.131 4.039 4.170 -0.000 0.000 0.237 211 I C 2.575 178.678 176.117 -0.023 0.000 1.073 211 I CA 1.421 62.706 61.300 -0.025 0.000 1.359 211 I CB -0.438 37.523 38.000 -0.065 0.000 1.083 211 I HN 0.176 nan 8.210 nan 0.000 0.412 212 K N 0.631 120.974 120.400 -0.095 0.000 2.074 212 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 212 K C -0.455 176.141 176.600 -0.005 0.000 1.048 212 K CA 1.758 58.018 56.287 -0.045 0.000 0.926 212 K CB -1.125 31.320 32.500 -0.092 0.000 0.713 212 K HN 0.269 nan 8.250 nan 0.000 0.444 213 P HA -0.040 nan 4.420 nan 0.000 0.226 213 P C 0.668 177.967 177.300 -0.002 0.000 1.153 213 P CA 1.113 64.207 63.100 -0.011 0.000 0.777 213 P CB 0.247 31.933 31.700 -0.023 0.000 0.794 214 T N -1.006 113.551 114.554 0.004 0.000 3.057 214 T HA 0.155 4.505 4.350 -0.000 0.000 0.254 214 T C 0.680 175.399 174.700 0.032 0.000 1.094 214 T CA 0.170 62.276 62.100 0.009 0.000 1.088 214 T CB -0.231 68.639 68.868 0.004 0.000 0.934 214 T HN -0.007 nan 8.240 nan 0.000 0.497 215 L N 3.064 124.315 121.223 0.047 0.000 2.326 215 L HA 0.353 4.693 4.340 -0.000 0.000 0.278 215 L C -2.301 174.598 176.870 0.047 0.000 1.092 215 L CA -2.303 52.574 54.840 0.063 0.000 0.810 215 L CB 0.509 42.626 42.059 0.097 0.000 1.153 215 L HN -0.087 nan 8.230 nan 0.000 0.439 216 P HA 0.115 nan 4.420 nan 0.000 0.276 216 P C 0.192 177.503 177.300 0.017 0.000 1.235 216 P CA -0.320 62.796 63.100 0.028 0.000 0.772 216 P CB 1.313 33.029 31.700 0.026 0.000 0.871 217 A N 3.982 126.810 122.820 0.013 0.000 1.972 217 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 217 A C 1.649 179.228 177.584 -0.008 0.000 1.169 217 A CA 1.709 53.752 52.037 0.009 0.000 0.635 217 A CB -1.055 17.950 19.000 0.007 0.000 0.810 217 A HN 0.638 nan 8.150 nan 0.000 0.446 218 D N 0.239 120.627 120.400 -0.020 0.000 2.263 218 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 218 D C 1.445 177.702 176.300 -0.072 0.000 0.971 218 D CA 0.934 54.907 54.000 -0.045 0.000 0.867 218 D CB -0.376 40.396 40.800 -0.048 0.000 0.929 218 D HN 0.530 nan 8.370 nan 0.000 0.492 219 L N 0.010 121.201 121.223 -0.054 0.000 2.640 219 L HA 0.277 4.617 4.340 -0.000 0.000 0.230 219 L C 0.747 177.593 176.870 -0.039 0.000 1.123 219 L CA -0.169 54.629 54.840 -0.069 0.000 0.900 219 L CB 0.418 42.446 42.059 -0.052 0.000 1.146 219 L HN -0.158 nan 8.230 nan 0.000 0.484 220 I N 0.904 121.465 120.570 -0.015 0.000 2.297 220 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 220 I C -0.115 176.002 176.117 0.001 0.000 1.033 220 I CA 0.045 61.353 61.300 0.013 0.000 1.253 220 I CB 0.877 38.909 38.000 0.053 0.000 1.396 220 I HN 0.051 nan 8.210 nan 0.000 0.476 221 K N 2.843 123.239 120.400 -0.007 0.000 2.409 221 K HA 0.488 4.808 4.320 -0.000 0.000 0.252 221 K C 1.100 177.694 176.600 -0.009 0.000 1.036 221 K CA -0.602 55.682 56.287 -0.005 0.000 0.871 221 K CB 1.441 33.941 32.500 0.001 0.000 1.374 221 K HN 0.497 nan 8.250 nan 0.000 0.459 222 G N -0.160 108.640 108.800 -0.000 0.000 2.462 222 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 222 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 222 G C 0.750 175.635 174.900 -0.024 0.000 1.121 222 G CA 1.561 46.659 45.100 -0.003 0.000 0.758 222 G HN 0.784 nan 8.290 nan 0.000 0.559 223 D N -0.204 120.178 120.400 -0.030 0.000 2.538 223 D HA 0.532 5.171 4.640 -0.000 0.000 0.234 223 D C 0.472 176.713 176.300 -0.099 0.000 1.191 223 D CA -0.500 53.472 54.000 -0.048 0.000 0.828 223 D CB -0.198 40.587 40.800 -0.024 0.000 0.981 223 D HN 0.387 nan 8.370 nan 0.000 0.490 224 I N -0.023 120.450 120.570 -0.161 0.000 2.325 224 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 224 I C -0.768 175.047 176.117 -0.504 0.000 1.019 224 I CA -0.709 60.399 61.300 -0.319 0.000 1.302 224 I CB 1.286 39.066 38.000 -0.368 0.000 1.401 224 I HN -0.167 nan 8.210 nan 0.000 0.485 225 K N 7.533 127.670 120.400 -0.438 0.000 2.265 225 K HA 0.431 4.751 4.320 -0.000 0.000 0.267 225 K C -1.398 174.964 176.600 -0.396 0.000 0.994 225 K CA -0.042 56.036 56.287 -0.348 0.000 0.860 225 K CB 0.865 33.281 32.500 -0.140 0.000 1.099 225 K HN 0.290 nan 8.250 nan 0.000 0.448 226 F N 3.577 123.543 119.950 0.027 0.000 2.361 226 F HA 0.380 4.907 4.527 -0.000 0.000 0.364 226 F C -0.150 175.670 175.800 0.032 0.000 1.120 226 F CA -0.872 57.147 58.000 0.031 0.000 1.102 226 F CB 0.529 39.547 39.000 0.031 0.000 1.183 226 F HN 0.136 nan 8.300 nan 0.000 0.476 227 L N 4.935 126.277 121.223 0.198 0.000 2.294 227 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 227 L C -0.717 176.235 176.870 0.138 0.000 1.015 227 L CA -0.723 54.198 54.840 0.134 0.000 0.831 227 L CB 1.258 43.369 42.059 0.088 0.000 1.217 227 L HN 0.283 nan 8.230 nan 0.000 0.420 228 V N 2.735 122.723 119.914 0.123 0.000 2.459 228 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 228 V C 0.028 176.185 176.094 0.104 0.000 1.029 228 V CA -0.803 61.566 62.300 0.114 0.000 0.874 228 V CB 1.461 33.341 31.823 0.095 0.000 0.985 228 V HN 0.861 nan 8.190 nan 0.000 0.438 229 N N 4.537 123.317 118.700 0.133 0.000 2.669 229 N HA -0.145 4.594 4.740 -0.000 0.000 0.266 229 N C -1.862 173.703 175.510 0.092 0.000 1.024 229 N CA 0.695 53.831 53.050 0.143 0.000 0.766 229 N CB -0.438 38.151 38.487 0.170 0.000 0.898 229 N HN 0.528 nan 8.380 nan 0.000 0.548 230 P HA -0.144 nan 4.420 nan 0.000 0.218 230 P C 0.955 178.274 177.300 0.033 0.000 1.149 230 P CA 1.500 64.629 63.100 0.048 0.000 0.817 230 P CB 0.017 31.741 31.700 0.041 0.000 0.785 231 T N -4.032 110.535 114.554 0.023 0.000 3.273 231 T HA 0.519 4.869 4.350 -0.000 0.000 0.254 231 T C 0.971 175.685 174.700 0.023 0.000 1.002 231 T CA 0.046 62.148 62.100 0.004 0.000 0.913 231 T CB -0.668 68.180 68.868 -0.033 0.000 1.056 231 T HN 0.334 nan 8.240 nan 0.000 0.576 232 G N 1.352 110.186 108.800 0.056 0.000 2.498 232 G HA2 0.128 4.087 3.960 -0.000 0.000 0.245 232 G HA3 0.128 4.087 3.960 -0.000 0.000 0.245 232 G C 0.120 175.116 174.900 0.160 0.000 1.204 232 G CA -0.113 45.036 45.100 0.081 0.000 0.933 232 G HN 1.042 nan 8.290 nan 0.000 0.574 233 R N -0.846 119.760 120.500 0.178 0.000 2.570 233 R HA 0.520 4.859 4.340 -0.000 0.000 0.277 233 R C -0.038 176.453 176.300 0.319 0.000 1.039 233 R CA 0.872 57.164 56.100 0.319 0.000 1.065 233 R CB 0.032 30.461 30.300 0.214 0.000 0.964 233 R HN 1.816 nan 8.270 nan 0.000 0.428 234 F N 4.022 124.062 119.950 0.151 0.000 2.769 234 F HA 0.374 4.901 4.527 -0.000 0.000 0.358 234 F C 0.207 175.831 175.800 -0.294 0.000 1.285 234 F CA -1.450 56.550 58.000 -0.000 0.000 1.199 234 F CB 0.916 40.005 39.000 0.148 0.000 1.558 234 F HN 0.211 nan 8.300 nan 0.000 0.583 235 V N 3.470 123.382 119.914 -0.004 0.000 2.795 235 V HA 0.115 4.234 4.120 -0.000 0.000 0.243 235 V C 1.096 177.179 176.094 -0.018 0.000 1.069 235 V CA 0.989 63.185 62.300 -0.173 0.000 1.089 235 V CB 0.104 31.860 31.823 -0.112 0.000 0.756 235 V HN 0.318 nan 8.190 nan 0.000 0.471 236 I N 0.722 121.356 120.570 0.107 0.000 2.331 236 I HA 0.640 4.809 4.170 -0.000 0.000 0.292 236 I C 0.460 176.714 176.117 0.228 0.000 0.998 236 I CA 0.072 61.436 61.300 0.107 0.000 1.267 236 I CB 1.025 39.066 38.000 0.067 0.000 1.386 236 I HN 0.197 nan 8.210 nan 0.000 0.476 237 G N 2.892 111.784 108.800 0.153 0.000 2.866 237 G HA2 0.708 4.667 3.960 -0.000 0.000 0.289 237 G HA3 0.708 4.667 3.960 -0.000 0.000 0.289 237 G C -0.300 174.606 174.900 0.010 0.000 1.396 237 G CA -0.318 44.914 45.100 0.219 0.000 0.848 237 G HN 0.995 nan 8.290 nan 0.000 0.515 238 G N -0.274 108.529 108.800 0.005 0.000 2.645 238 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.246 238 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.246 238 G C -1.246 173.491 174.900 -0.273 0.000 1.322 238 G CA 0.304 45.252 45.100 -0.252 0.000 0.898 238 G HN 0.681 nan 8.290 nan 0.000 0.573 239 P HA -0.027 nan 4.420 nan 0.000 0.216 239 P C 2.370 179.565 177.300 -0.176 0.000 1.150 239 P CA 3.670 66.644 63.100 -0.209 0.000 0.843 239 P CB -0.307 31.274 31.700 -0.198 0.000 0.787 240 Q N -0.509 119.159 119.800 -0.220 0.000 2.297 240 Q HA -0.064 4.276 4.340 -0.000 0.000 0.208 240 Q C 2.235 178.185 176.000 -0.084 0.000 0.981 240 Q CA 1.953 57.674 55.803 -0.137 0.000 0.876 240 Q CB -1.941 26.715 28.738 -0.136 0.000 0.921 240 Q HN 0.418 nan 8.270 nan 0.000 0.446 241 G N -1.815 106.937 108.800 -0.079 0.000 2.833 241 G HA2 0.282 4.242 3.960 -0.000 0.000 0.210 241 G HA3 0.282 4.242 3.960 -0.000 0.000 0.210 241 G C 0.063 174.933 174.900 -0.051 0.000 1.139 241 G CA 0.683 45.761 45.100 -0.037 0.000 0.771 241 G HN 0.447 nan 8.290 nan 0.000 0.535 242 D N -1.023 119.331 120.400 -0.076 0.000 2.746 242 D HA 0.048 4.687 4.640 -0.000 0.000 0.211 242 D C -0.958 175.292 176.300 -0.084 0.000 1.242 242 D CA -0.519 53.435 54.000 -0.077 0.000 0.790 242 D CB 1.791 42.537 40.800 -0.091 0.000 1.744 242 D HN -0.033 nan 8.370 nan 0.000 0.520 243 C N 2.688 121.953 119.300 -0.058 0.000 2.642 243 C HA 0.623 5.083 4.460 -0.000 0.000 0.420 243 C C 0.841 175.809 174.990 -0.037 0.000 1.349 243 C CA 0.383 59.373 59.018 -0.047 0.000 1.821 243 C CB -0.982 26.738 27.740 -0.033 0.000 2.637 243 C HN 0.535 nan 8.230 nan 0.000 0.605 244 G N 5.819 114.602 108.800 -0.029 0.000 2.495 244 G HA2 0.711 4.671 3.960 -0.000 0.000 0.318 244 G HA3 0.711 4.671 3.960 -0.000 0.000 0.318 244 G C -1.673 173.234 174.900 0.012 0.000 1.257 244 G CA -0.432 44.670 45.100 0.003 0.000 0.962 244 G HN 0.668 nan 8.290 nan 0.000 0.483 245 L N 0.391 121.630 121.223 0.027 0.000 2.388 245 L HA 0.503 4.843 4.340 -0.000 0.000 0.264 245 L C 0.638 177.521 176.870 0.022 0.000 0.998 245 L CA -0.547 54.302 54.840 0.015 0.000 0.817 245 L CB 2.349 44.410 42.059 0.003 0.000 1.338 245 L HN 0.492 nan 8.230 nan 0.000 0.414 246 T N 1.233 115.798 114.554 0.017 0.000 2.928 246 T HA 0.397 4.746 4.350 -0.000 0.000 0.305 246 T C 0.961 175.658 174.700 -0.006 0.000 1.035 246 T CA 0.813 62.924 62.100 0.019 0.000 1.145 246 T CB 0.454 69.336 68.868 0.024 0.000 0.963 246 T HN 1.045 nan 8.240 nan 0.000 0.545 247 G N 2.532 111.320 108.800 -0.019 0.000 2.160 247 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 247 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 247 G C 0.763 175.612 174.900 -0.085 0.000 1.022 247 G CA -0.348 44.711 45.100 -0.067 0.000 0.741 247 G HN 0.610 nan 8.290 nan 0.000 0.508 248 R N -0.553 119.913 120.500 -0.056 0.000 2.509 248 R HA 0.190 4.529 4.340 -0.000 0.000 0.300 248 R C 0.628 176.884 176.300 -0.072 0.000 0.985 248 R CA -0.108 55.958 56.100 -0.057 0.000 1.092 248 R CB 0.427 30.718 30.300 -0.015 0.000 1.237 248 R HN 0.199 nan 8.270 nan 0.000 0.546 249 K N 1.378 121.725 120.400 -0.089 0.000 3.084 249 K HA 0.218 4.538 4.320 -0.000 0.000 0.210 249 K C 1.260 177.783 176.600 -0.127 0.000 1.137 249 K CA -0.034 56.195 56.287 -0.096 0.000 1.010 249 K CB 0.580 33.036 32.500 -0.075 0.000 0.806 249 K HN 0.175 nan 8.250 nan 0.000 0.460 250 I N -2.791 117.647 120.570 -0.220 0.000 2.546 250 I HA -0.105 4.064 4.170 -0.000 0.000 0.255 250 I C 1.230 177.177 176.117 -0.283 0.000 1.163 250 I CA 0.667 61.746 61.300 -0.367 0.000 1.457 250 I CB -0.069 37.577 38.000 -0.590 0.000 1.092 250 I HN -0.093 nan 8.210 nan 0.000 0.434 251 I N 1.311 121.771 120.570 -0.184 0.000 2.333 251 I HA -0.109 4.060 4.170 -0.000 0.000 0.246 251 I C 2.762 178.905 176.117 0.044 0.000 1.106 251 I CA 1.035 62.316 61.300 -0.032 0.000 1.411 251 I CB -1.069 36.913 38.000 -0.031 0.000 1.082 251 I HN 0.138 nan 8.210 nan 0.000 0.420 252 V N 1.331 121.254 119.914 0.015 0.000 2.392 252 V HA -0.283 3.836 4.120 -0.000 0.000 0.249 252 V C 2.076 178.289 176.094 0.198 0.000 1.059 252 V CA 1.882 64.226 62.300 0.073 0.000 1.051 252 V CB -0.662 31.181 31.823 0.033 0.000 0.658 252 V HN 0.343 nan 8.190 nan 0.000 0.455 253 D N -0.386 120.081 120.400 0.110 0.000 2.264 253 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 253 D C 1.865 178.207 176.300 0.071 0.000 0.966 253 D CA 1.694 55.782 54.000 0.147 0.000 0.864 253 D CB 0.117 40.920 40.800 0.004 0.000 0.933 253 D HN 0.721 nan 8.370 nan 0.000 0.499 254 T N -2.615 111.988 114.554 0.082 0.000 3.066 254 T HA 0.072 4.421 4.350 -0.000 0.000 0.176 254 T C 1.081 175.705 174.700 -0.126 0.000 0.826 254 T CA -0.265 61.821 62.100 -0.022 0.000 1.280 254 T CB -0.209 68.795 68.868 0.227 0.000 2.214 254 T HN -0.066 nan 8.240 nan 0.000 0.399 255 Y N 1.184 121.732 120.300 0.414 0.000 2.557 255 Y HA 0.575 5.125 4.550 -0.000 0.000 0.247 255 Y C 1.737 177.786 175.900 0.248 0.000 1.164 255 Y CA -0.599 57.708 58.100 0.345 0.000 1.218 255 Y CB 0.280 38.910 38.460 0.283 0.000 1.210 255 Y HN 0.816 nan 8.280 nan 0.000 0.529 256 G N 0.624 109.596 108.800 0.287 0.000 2.258 256 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.274 256 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.274 256 G C 1.224 176.274 174.900 0.250 0.000 1.021 256 G CA 0.629 45.855 45.100 0.210 0.000 0.798 256 G HN 1.211 nan 8.290 nan 0.000 0.507 257 G N -2.152 106.796 108.800 0.247 0.000 2.195 257 G HA2 0.148 4.108 3.960 -0.000 0.000 0.224 257 G HA3 0.148 4.108 3.960 -0.000 0.000 0.224 257 G C 1.342 176.441 174.900 0.332 0.000 0.990 257 G CA 1.127 46.382 45.100 0.258 0.000 0.639 257 G HN 1.992 nan 8.290 nan 0.000 0.514 258 A N -0.326 122.615 122.820 0.202 0.000 2.167 258 A HA 0.767 5.086 4.320 -0.000 0.000 0.214 258 A C 1.331 178.651 177.584 -0.439 0.000 1.151 258 A CA 1.978 53.927 52.037 -0.146 0.000 0.735 258 A CB -0.125 18.795 19.000 -0.134 0.000 0.802 258 A HN 2.156 nan 8.150 nan 0.000 0.467 259 A N -0.141 122.500 122.820 -0.298 0.000 2.539 259 A HA 0.688 5.008 4.320 -0.000 0.000 0.296 259 A C -2.909 174.532 177.584 -0.238 0.000 1.073 259 A CA -1.603 50.161 52.037 -0.455 0.000 0.700 259 A CB 0.753 19.356 19.000 -0.661 0.000 1.296 259 A HN 0.086 nan 8.150 nan 0.000 0.405 260 P HA 0.228 nan 4.420 nan 0.000 0.271 260 P C -0.983 176.102 177.300 -0.359 0.000 1.233 260 P CA 0.192 62.998 63.100 -0.489 0.000 0.789 260 P CB 0.419 31.548 31.700 -0.952 0.000 0.951 261 H N -1.001 117.992 119.070 -0.128 0.000 2.768 261 H HA 0.340 4.895 4.556 -0.001 0.000 0.371 261 H C 1.020 176.555 175.328 0.344 0.000 1.151 261 H CA -0.296 55.866 56.048 0.191 0.000 1.165 261 H CB 2.180 32.005 29.762 0.104 0.000 1.722 261 H HN 0.525 nan 8.280 nan 0.000 0.543 262 G N 0.799 109.852 108.800 0.422 0.000 2.623 262 G HA2 0.168 4.128 3.960 -0.000 0.000 0.214 262 G HA3 0.168 4.128 3.960 -0.000 0.000 0.214 262 G C 1.034 176.123 174.900 0.314 0.000 1.138 262 G CA 0.680 45.986 45.100 0.343 0.000 0.794 262 G HN 0.952 nan 8.290 nan 0.000 0.535 263 G N -1.294 107.816 108.800 0.516 0.000 2.278 263 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.210 263 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.210 263 G C 0.755 175.719 174.900 0.106 0.000 1.000 263 G CA 0.174 45.401 45.100 0.212 0.000 0.635 263 G HN 1.099 nan 8.290 nan 0.000 0.495 264 G N 0.942 109.842 108.800 0.166 0.000 2.380 264 G HA2 0.688 4.648 3.960 -0.000 0.000 0.262 264 G HA3 0.688 4.648 3.960 -0.000 0.000 0.262 264 G C 0.531 175.385 174.900 -0.077 0.000 1.243 264 G CA 1.008 46.139 45.100 0.051 0.000 0.865 264 G HN 1.478 nan 8.290 nan 0.000 0.513 265 A N 1.881 124.621 122.820 -0.132 0.000 2.386 265 A HA 0.616 4.936 4.320 -0.000 0.000 0.248 265 A C 0.474 177.982 177.584 -0.126 0.000 1.082 265 A CA -0.226 51.675 52.037 -0.227 0.000 0.789 265 A CB 0.373 19.299 19.000 -0.123 0.000 1.025 265 A HN 0.581 nan 8.150 nan 0.000 0.490 266 F N 0.491 120.358 119.950 -0.138 0.000 2.383 266 F HA 0.130 4.657 4.527 -0.000 0.000 0.287 266 F C 1.594 177.328 175.800 -0.111 0.000 1.069 266 F CA 0.084 57.962 58.000 -0.203 0.000 1.402 266 F CB -0.950 37.826 39.000 -0.373 0.000 1.116 266 F HN 0.347 nan 8.300 nan 0.000 0.549 267 S N -0.269 115.536 115.700 0.175 0.000 2.564 267 S HA 0.415 4.885 4.470 -0.000 0.000 0.278 267 S C 1.209 175.845 174.600 0.060 0.000 1.333 267 S CA 0.411 58.698 58.200 0.145 0.000 1.048 267 S CB 0.567 63.865 63.200 0.164 0.000 0.900 267 S HN 0.692 nan 8.310 nan 0.000 0.505 268 G N 2.385 111.208 108.800 0.038 0.000 2.176 268 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.253 268 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.253 268 G C -0.243 174.631 174.900 -0.044 0.000 0.979 268 G CA -0.122 44.986 45.100 0.013 0.000 0.641 268 G HN 0.585 nan 8.290 nan 0.000 0.530 269 K N 1.478 121.823 120.400 -0.093 0.000 2.274 269 K HA 0.472 4.792 4.320 -0.000 0.000 0.262 269 K C -0.058 176.392 176.600 -0.251 0.000 0.961 269 K CA -0.287 55.915 56.287 -0.140 0.000 0.833 269 K CB 1.482 33.908 32.500 -0.123 0.000 1.102 269 K HN 0.506 nan 8.250 nan 0.000 0.436 270 D N 2.130 122.405 120.400 -0.208 0.000 2.363 270 D HA 0.044 4.683 4.640 -0.000 0.000 0.240 270 D C -1.836 174.305 176.300 -0.265 0.000 1.236 270 D CA -1.343 52.512 54.000 -0.243 0.000 0.927 270 D CB 0.591 41.315 40.800 -0.126 0.000 1.150 270 D HN 0.152 nan 8.370 nan 0.000 0.458 271 P HA -0.016 nan 4.420 nan 0.000 0.245 271 P C 0.781 177.998 177.300 -0.139 0.000 1.212 271 P CA 0.461 63.439 63.100 -0.203 0.000 0.774 271 P CB -0.060 31.598 31.700 -0.070 0.000 0.999 272 S N -1.643 113.991 115.700 -0.110 0.000 2.489 272 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 272 S C 0.986 175.507 174.600 -0.132 0.000 0.995 272 S CA 0.245 58.390 58.200 -0.092 0.000 0.934 272 S CB -0.655 62.515 63.200 -0.051 0.000 0.771 272 S HN -0.061 nan 8.310 nan 0.000 0.522 273 K N 2.972 123.279 120.400 -0.155 0.000 2.310 273 K HA 0.214 4.534 4.320 -0.000 0.000 0.290 273 K C 1.479 177.956 176.600 -0.204 0.000 1.077 273 K CA 0.075 56.267 56.287 -0.158 0.000 0.922 273 K CB 1.174 33.592 32.500 -0.136 0.000 1.057 273 K HN 0.225 nan 8.250 nan 0.000 0.479 274 V N -0.409 119.360 119.914 -0.242 0.000 2.568 274 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 274 V C 1.306 177.291 176.094 -0.182 0.000 1.072 274 V CA 1.449 63.555 62.300 -0.323 0.000 1.084 274 V CB -0.360 31.091 31.823 -0.620 0.000 0.676 274 V HN 0.469 nan 8.190 nan 0.000 0.469 275 D N 0.454 120.792 120.400 -0.104 0.000 2.172 275 D HA -0.214 4.425 4.640 -0.000 0.000 0.196 275 D C 2.253 178.578 176.300 0.042 0.000 0.999 275 D CA 2.267 56.268 54.000 0.001 0.000 0.856 275 D CB -0.120 40.688 40.800 0.013 0.000 0.934 275 D HN 0.607 nan 8.370 nan 0.000 0.453 276 R N -0.051 120.353 120.500 -0.161 0.000 2.072 276 R HA -0.033 4.307 4.340 -0.000 0.000 0.214 276 R C 2.436 178.292 176.300 -0.740 0.000 1.168 276 R CA 1.117 56.897 56.100 -0.533 0.000 1.020 276 R CB -0.126 29.794 30.300 -0.633 0.000 0.914 276 R HN 0.152 nan 8.270 nan 0.000 0.449 277 S N 0.494 115.901 115.700 -0.487 0.000 2.370 277 S HA -0.138 4.331 4.470 -0.000 0.000 0.226 277 S C 2.089 176.599 174.600 -0.150 0.000 1.033 277 S CA 1.236 59.243 58.200 -0.323 0.000 1.011 277 S CB -0.311 62.768 63.200 -0.201 0.000 0.852 277 S HN 0.444 nan 8.310 nan 0.000 0.457 278 A N 1.728 124.481 122.820 -0.111 0.000 1.929 278 A HA 0.494 4.813 4.320 -0.000 0.000 0.216 278 A C 2.514 180.150 177.584 0.086 0.000 1.176 278 A CA 1.383 53.446 52.037 0.044 0.000 0.628 278 A CB -1.321 17.762 19.000 0.139 0.000 0.816 278 A HN 0.881 nan 8.150 nan 0.000 0.444 279 A N -1.145 121.721 122.820 0.078 0.000 1.930 279 A HA -0.033 4.286 4.320 -0.000 0.000 0.217 279 A C 2.076 179.804 177.584 0.241 0.000 1.175 279 A CA 1.426 53.592 52.037 0.214 0.000 0.627 279 A CB -0.710 18.541 19.000 0.420 0.000 0.815 279 A HN 0.510 nan 8.150 nan 0.000 0.443 280 Y N -0.166 120.058 120.300 -0.127 0.000 2.200 280 Y HA -0.064 4.486 4.550 -0.000 0.000 0.290 280 Y C 2.982 178.877 175.900 -0.007 0.000 1.137 280 Y CA 0.279 58.244 58.100 -0.225 0.000 1.163 280 Y CB -1.257 36.865 38.460 -0.563 0.000 0.988 280 Y HN 0.338 nan 8.280 nan 0.000 0.518 281 A N 0.048 122.989 122.820 0.202 0.000 1.933 281 A HA -0.089 4.230 4.320 -0.000 0.000 0.218 281 A C 2.673 180.347 177.584 0.150 0.000 1.175 281 A CA 1.685 53.860 52.037 0.229 0.000 0.628 281 A CB -1.391 17.727 19.000 0.197 0.000 0.814 281 A HN 0.447 nan 8.150 nan 0.000 0.444 282 G N -0.153 108.703 108.800 0.094 0.000 2.446 282 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 282 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 282 G C 1.705 176.611 174.900 0.010 0.000 1.168 282 G CA 1.381 46.502 45.100 0.035 0.000 0.771 282 G HN 0.556 nan 8.290 nan 0.000 0.551 283 R N -0.380 120.111 120.500 -0.015 0.000 2.073 283 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 283 R C 2.209 178.567 176.300 0.097 0.000 1.134 283 R CA 1.489 57.540 56.100 -0.081 0.000 0.952 283 R CB -1.314 28.710 30.300 -0.460 0.000 0.850 283 R HN 0.353 nan 8.270 nan 0.000 0.433 284 Y N 0.372 120.710 120.300 0.064 0.000 2.069 284 Y HA -0.258 4.292 4.550 -0.001 0.000 0.278 284 Y C 2.076 177.979 175.900 0.006 0.000 1.175 284 Y CA 2.011 60.185 58.100 0.122 0.000 1.134 284 Y CB -0.743 37.847 38.460 0.217 0.000 0.965 284 Y HN -0.035 nan 8.280 nan 0.000 0.498 285 V N 0.141 119.936 119.914 -0.199 0.000 2.237 285 V HA -0.332 3.788 4.120 -0.000 0.000 0.245 285 V C 2.717 178.640 176.094 -0.285 0.000 1.046 285 V CA 2.086 64.016 62.300 -0.617 0.000 1.007 285 V CB -1.706 29.693 31.823 -0.706 0.000 0.638 285 V HN 0.534 nan 8.190 nan 0.000 0.445 286 A N -0.354 122.369 122.820 -0.162 0.000 1.892 286 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 286 A C 2.346 179.869 177.584 -0.101 0.000 1.188 286 A CA 2.550 54.519 52.037 -0.113 0.000 0.631 286 A CB -0.597 18.347 19.000 -0.092 0.000 0.822 286 A HN 0.542 nan 8.150 nan 0.000 0.447 287 K N -0.509 119.855 120.400 -0.059 0.000 2.057 287 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 287 K C 1.849 178.429 176.600 -0.033 0.000 1.049 287 K CA 1.488 57.759 56.287 -0.027 0.000 0.931 287 K CB -0.235 32.295 32.500 0.050 0.000 0.714 287 K HN 0.525 nan 8.250 nan 0.000 0.440 288 N N 0.725 119.397 118.700 -0.047 0.000 2.244 288 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 288 N C 1.889 177.383 175.510 -0.027 0.000 1.016 288 N CA 1.151 54.181 53.050 -0.035 0.000 0.866 288 N CB -0.058 38.416 38.487 -0.021 0.000 0.980 288 N HN 0.251 nan 8.380 nan 0.000 0.430 289 I N 0.574 121.117 120.570 -0.045 0.000 2.252 289 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 289 I C 2.116 178.207 176.117 -0.043 0.000 1.102 289 I CA 0.806 62.081 61.300 -0.042 0.000 1.385 289 I CB -0.057 37.911 38.000 -0.054 0.000 1.064 289 I HN -0.097 nan 8.210 nan 0.000 0.414 290 V N 0.670 120.551 119.914 -0.055 0.000 2.407 290 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 290 V C 2.583 178.653 176.094 -0.040 0.000 1.041 290 V CA 1.710 63.977 62.300 -0.055 0.000 1.040 290 V CB -0.775 30.997 31.823 -0.084 0.000 0.671 290 V HN 0.455 nan 8.190 nan 0.000 0.455 291 A N 0.041 122.841 122.820 -0.034 0.000 2.067 291 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 291 A C 2.319 179.890 177.584 -0.023 0.000 1.158 291 A CA 1.563 53.586 52.037 -0.023 0.000 0.661 291 A CB -0.519 18.474 19.000 -0.012 0.000 0.801 291 A HN 0.538 nan 8.150 nan 0.000 0.452 292 A N -1.554 121.249 122.820 -0.028 0.000 2.067 292 A HA 0.333 4.652 4.320 -0.000 0.000 0.219 292 A C 1.977 179.544 177.584 -0.028 0.000 1.158 292 A CA 1.526 53.544 52.037 -0.032 0.000 0.661 292 A CB -0.860 18.114 19.000 -0.043 0.000 0.801 292 A HN 1.863 nan 8.150 nan 0.000 0.452 293 G N -1.600 107.185 108.800 -0.025 0.000 2.141 293 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.242 293 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.242 293 G C 0.723 175.612 174.900 -0.019 0.000 0.982 293 G CA 0.395 45.483 45.100 -0.020 0.000 0.662 293 G HN 0.408 nan 8.290 nan 0.000 0.527 294 L N -0.570 120.639 121.223 -0.023 0.000 2.240 294 L HA 0.461 4.801 4.340 -0.000 0.000 0.211 294 L C 1.492 178.356 176.870 -0.011 0.000 1.106 294 L CA 1.455 56.284 54.840 -0.019 0.000 0.793 294 L CB -0.339 41.706 42.059 -0.024 0.000 0.927 294 L HN 0.765 nan 8.230 nan 0.000 0.446 295 A N -1.297 121.516 122.820 -0.012 0.000 2.610 295 A HA 0.449 4.769 4.320 -0.000 0.000 0.291 295 A C 0.462 178.040 177.584 -0.011 0.000 1.086 295 A CA 0.135 52.172 52.037 -0.001 0.000 0.677 295 A CB 0.926 19.931 19.000 0.010 0.000 1.278 295 A HN 0.007 nan 8.150 nan 0.000 0.414 296 S N -0.349 115.350 115.700 -0.000 0.000 2.486 296 S HA 0.221 4.691 4.470 -0.000 0.000 0.220 296 S C 0.674 175.248 174.600 -0.044 0.000 1.011 296 S CA 0.572 58.762 58.200 -0.017 0.000 0.921 296 S CB -0.195 63.004 63.200 -0.001 0.000 0.785 296 S HN 1.008 nan 8.310 nan 0.000 0.517 297 R N -0.059 120.434 120.500 -0.013 0.000 2.740 297 R HA 0.839 5.179 4.340 -0.000 0.000 0.273 297 R C -1.748 174.590 176.300 0.064 0.000 0.998 297 R CA -0.927 55.137 56.100 -0.059 0.000 0.900 297 R CB 1.587 31.831 30.300 -0.094 0.000 1.223 297 R HN 0.136 nan 8.270 nan 0.000 0.466 298 A N 2.256 125.062 122.820 -0.023 0.000 2.429 298 A HA 0.554 4.874 4.320 -0.000 0.000 0.289 298 A C -1.837 175.846 177.584 0.165 0.000 1.043 298 A CA -0.713 51.370 52.037 0.075 0.000 0.722 298 A CB 1.768 20.752 19.000 -0.027 0.000 1.243 298 A HN 0.601 nan 8.150 nan 0.000 0.415 299 L N 3.259 124.668 121.223 0.310 0.000 2.333 299 L HA 0.818 5.158 4.340 -0.000 0.000 0.280 299 L C -0.945 176.029 176.870 0.172 0.000 1.004 299 L CA -0.535 54.515 54.840 0.350 0.000 0.820 299 L CB 1.304 43.634 42.059 0.451 0.000 1.247 299 L HN 0.693 nan 8.230 nan 0.000 0.416 300 I N 4.197 124.864 120.570 0.160 0.000 2.436 300 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 300 I C -0.962 175.188 176.117 0.055 0.000 1.010 300 I CA -0.325 61.012 61.300 0.062 0.000 1.098 300 I CB 1.391 39.378 38.000 -0.022 0.000 1.266 300 I HN 0.743 nan 8.210 nan 0.000 0.434 301 Q N 6.177 125.927 119.800 -0.084 0.000 2.271 301 Q HA 0.607 4.947 4.340 -0.000 0.000 0.258 301 Q C -1.777 174.050 176.000 -0.290 0.000 0.936 301 Q CA -0.687 54.862 55.803 -0.425 0.000 0.909 301 Q CB 2.051 30.449 28.738 -0.567 0.000 1.253 301 Q HN 0.611 nan 8.270 nan 0.000 0.440 302 V N 2.099 121.833 119.914 -0.299 0.000 2.960 302 V HA 0.678 4.798 4.120 -0.000 0.000 0.315 302 V C -0.585 175.348 176.094 -0.268 0.000 1.087 302 V CA -0.540 61.611 62.300 -0.248 0.000 0.982 302 V CB 2.118 33.856 31.823 -0.141 0.000 1.039 302 V HN 0.966 nan 8.190 nan 0.000 0.437 303 S N 1.568 117.048 115.700 -0.367 0.000 2.579 303 S HA 0.847 5.316 4.470 -0.000 0.000 0.272 303 S C -1.758 172.537 174.600 -0.509 0.000 1.141 303 S CA -0.730 57.311 58.200 -0.265 0.000 0.843 303 S CB 1.823 64.925 63.200 -0.163 0.000 1.122 303 S HN 0.480 nan 8.310 nan 0.000 0.468 304 Y N -0.274 120.002 120.300 -0.041 0.000 2.524 304 Y HA 0.757 5.307 4.550 -0.000 0.000 0.347 304 Y C 0.170 176.058 175.900 -0.020 0.000 1.005 304 Y CA -0.792 57.293 58.100 -0.026 0.000 1.025 304 Y CB 2.332 40.778 38.460 -0.022 0.000 1.275 304 Y HN 1.110 nan 8.280 nan 0.000 0.460 305 A N 2.738 125.636 122.820 0.130 0.000 2.324 305 A HA 0.596 4.916 4.320 -0.000 0.000 0.330 305 A C -0.654 176.981 177.584 0.085 0.000 1.165 305 A CA -0.806 51.278 52.037 0.078 0.000 0.813 305 A CB 0.594 19.617 19.000 0.039 0.000 1.197 305 A HN 0.872 nan 8.150 nan 0.000 0.484 306 I N 2.122 122.725 120.570 0.054 0.000 2.741 306 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 306 I C 1.312 177.449 176.117 0.032 0.000 1.192 306 I CA 1.993 63.314 61.300 0.036 0.000 1.426 306 I CB 0.420 38.432 38.000 0.020 0.000 1.367 306 I HN 1.292 nan 8.210 nan 0.000 0.563 307 G N 4.622 113.439 108.800 0.029 0.000 2.143 307 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.249 307 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.249 307 G C -0.228 174.692 174.900 0.033 0.000 0.981 307 G CA 0.089 45.203 45.100 0.024 0.000 0.665 307 G HN 0.662 nan 8.290 nan 0.000 0.528 308 V N -0.100 119.846 119.914 0.053 0.000 2.531 308 V HA 0.735 4.855 4.120 -0.000 0.000 0.301 308 V C 1.093 177.246 176.094 0.097 0.000 1.034 308 V CA 0.081 62.417 62.300 0.060 0.000 0.865 308 V CB 1.314 33.167 31.823 0.050 0.000 0.995 308 V HN 0.685 nan 8.190 nan 0.000 0.424 309 A N 3.509 126.379 122.820 0.083 0.000 1.874 309 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 309 A C 1.040 178.713 177.584 0.147 0.000 1.189 309 A CA 0.807 52.907 52.037 0.105 0.000 0.615 309 A CB -0.148 18.894 19.000 0.070 0.000 0.830 309 A HN 0.768 nan 8.150 nan 0.000 0.443 310 E N 0.564 120.816 120.200 0.087 0.000 2.338 310 E HA 0.348 4.698 4.350 -0.000 0.000 0.272 310 E C -2.565 174.025 176.600 -0.016 0.000 1.029 310 E CA -2.146 54.283 56.400 0.049 0.000 0.872 310 E CB 0.401 30.112 29.700 0.018 0.000 1.015 310 E HN 0.158 nan 8.360 nan 0.000 0.417 311 P HA -0.069 nan 4.420 nan 0.000 0.264 311 P C 0.388 177.541 177.300 -0.245 0.000 1.183 311 P CA 0.328 63.162 63.100 -0.443 0.000 0.763 311 P CB 0.610 32.015 31.700 -0.492 0.000 0.807 312 T N -0.799 113.617 114.554 -0.231 0.000 2.881 312 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 312 T C 0.728 175.347 174.700 -0.135 0.000 1.068 312 T CA 1.068 63.089 62.100 -0.132 0.000 1.131 312 T CB -0.387 68.427 68.868 -0.090 0.000 0.871 312 T HN 0.577 nan 8.240 nan 0.000 0.479 313 S N -0.829 114.757 115.700 -0.190 0.000 2.550 313 S HA 0.664 5.133 4.470 -0.000 0.000 0.270 313 S C -1.553 172.935 174.600 -0.186 0.000 1.145 313 S CA -0.930 57.178 58.200 -0.153 0.000 0.852 313 S CB 2.257 65.382 63.200 -0.125 0.000 1.119 313 S HN 0.220 nan 8.310 nan 0.000 0.465 314 V N 2.388 122.221 119.914 -0.135 0.000 2.808 314 V HA 0.793 4.913 4.120 -0.000 0.000 0.308 314 V C -0.697 175.342 176.094 -0.092 0.000 1.099 314 V CA -0.599 61.626 62.300 -0.125 0.000 0.920 314 V CB 1.550 33.314 31.823 -0.099 0.000 1.014 314 V HN 1.206 nan 8.190 nan 0.000 0.425 315 M N 3.975 123.521 119.600 -0.090 0.000 2.470 315 M HA 0.935 5.415 4.480 -0.000 0.000 0.285 315 M C -1.964 174.306 176.300 -0.051 0.000 1.213 315 M CA -0.613 54.649 55.300 -0.064 0.000 0.901 315 M CB 2.420 34.986 32.600 -0.057 0.000 1.718 315 M HN 0.179 nan 8.290 nan 0.000 0.469 316 V N 2.456 122.341 119.914 -0.049 0.000 2.495 316 V HA 0.610 4.730 4.120 -0.000 0.000 0.298 316 V C -0.956 175.089 176.094 -0.082 0.000 1.031 316 V CA -0.467 61.805 62.300 -0.046 0.000 0.871 316 V CB 1.789 33.587 31.823 -0.042 0.000 0.988 316 V HN 0.924 nan 8.190 nan 0.000 0.432 317 N N 2.245 120.874 118.700 -0.119 0.000 2.399 317 N HA 0.350 5.090 4.740 -0.000 0.000 0.280 317 N C 0.429 175.772 175.510 -0.278 0.000 1.008 317 N CA -0.090 52.781 53.050 -0.299 0.000 0.894 317 N CB 2.238 40.401 38.487 -0.541 0.000 1.273 317 N HN 0.776 nan 8.380 nan 0.000 0.486 318 T N 0.789 115.236 114.554 -0.179 0.000 3.134 318 T HA 0.226 4.576 4.350 -0.000 0.000 0.260 318 T C 0.150 174.964 174.700 0.191 0.000 1.027 318 T CA -0.232 61.901 62.100 0.054 0.000 0.913 318 T CB -0.908 67.983 68.868 0.039 0.000 1.046 318 T HN 0.416 nan 8.240 nan 0.000 0.553 319 F N 1.566 121.527 119.950 0.017 0.000 3.067 319 F HA -0.115 4.412 4.527 -0.000 0.000 0.279 319 F C 1.530 177.335 175.800 0.009 0.000 0.945 319 F CA 0.789 58.797 58.000 0.014 0.000 0.948 319 F CB -2.202 36.813 39.000 0.024 0.000 0.898 319 F HN 0.584 nan 8.300 nan 0.000 0.746 320 G N -0.696 108.158 108.800 0.089 0.000 2.168 320 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.263 320 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.263 320 G C 0.916 175.856 174.900 0.067 0.000 0.977 320 G CA 1.181 46.320 45.100 0.064 0.000 0.659 320 G HN 1.211 nan 8.290 nan 0.000 0.533 321 T N -1.695 112.911 114.554 0.087 0.000 3.086 321 T HA 0.507 4.857 4.350 -0.000 0.000 0.250 321 T C 1.421 176.143 174.700 0.038 0.000 1.074 321 T CA 1.015 63.153 62.100 0.063 0.000 0.988 321 T CB 0.670 69.582 68.868 0.074 0.000 0.988 321 T HN 1.354 nan 8.240 nan 0.000 0.530 322 G N 0.975 109.793 108.800 0.029 0.000 2.441 322 G HA2 0.333 4.293 3.960 -0.000 0.000 0.243 322 G HA3 0.333 4.293 3.960 -0.000 0.000 0.243 322 G C 0.639 175.543 174.900 0.007 0.000 1.281 322 G CA -0.824 44.284 45.100 0.012 0.000 0.854 322 G HN 0.362 nan 8.290 nan 0.000 0.560 323 R N 0.351 120.853 120.500 0.002 0.000 2.276 323 R HA 0.097 4.437 4.340 -0.000 0.000 0.196 323 R C 0.633 176.932 176.300 -0.002 0.000 0.961 323 R CA 0.388 56.488 56.100 0.000 0.000 1.024 323 R CB 0.054 30.353 30.300 -0.002 0.000 0.940 323 R HN 0.480 nan 8.270 nan 0.000 0.480 324 V N -2.021 117.890 119.914 -0.004 0.000 3.040 324 V HA 0.439 4.559 4.120 -0.000 0.000 0.312 324 V C 0.185 176.276 176.094 -0.006 0.000 1.115 324 V CA -1.421 60.876 62.300 -0.004 0.000 0.998 324 V CB 1.903 33.723 31.823 -0.005 0.000 1.042 324 V HN 0.166 nan 8.190 nan 0.000 0.433 325 S N 0.650 116.347 115.700 -0.006 0.000 2.558 325 S HA 0.017 4.486 4.470 -0.000 0.000 0.287 325 S C 0.625 175.216 174.600 -0.015 0.000 1.321 325 S CA 0.580 58.774 58.200 -0.010 0.000 1.048 325 S CB 0.422 63.617 63.200 -0.009 0.000 0.844 325 S HN 0.854 nan 8.310 nan 0.000 0.512 326 D N 1.677 122.063 120.400 -0.024 0.000 2.149 326 D HA -0.130 4.509 4.640 -0.000 0.000 0.198 326 D C 2.111 178.395 176.300 -0.027 0.000 0.990 326 D CA 1.699 55.679 54.000 -0.033 0.000 0.839 326 D CB -0.134 40.633 40.800 -0.054 0.000 0.948 326 D HN 0.872 nan 8.370 nan 0.000 0.460 327 E N 0.015 120.202 120.200 -0.022 0.000 2.152 327 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 327 E C 1.871 178.468 176.600 -0.006 0.000 0.983 327 E CA 0.847 57.237 56.400 -0.016 0.000 0.818 327 E CB -0.822 28.869 29.700 -0.016 0.000 0.758 327 E HN 0.157 nan 8.360 nan 0.000 0.467 328 T N 1.897 116.449 114.554 -0.003 0.000 2.821 328 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 328 T C 2.100 176.807 174.700 0.011 0.000 1.046 328 T CA 0.808 62.911 62.100 0.006 0.000 1.139 328 T CB -0.185 68.685 68.868 0.004 0.000 0.871 328 T HN 0.102 nan 8.240 nan 0.000 0.454 329 I N 1.146 121.717 120.570 0.002 0.000 2.179 329 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 329 I C 2.702 178.827 176.117 0.013 0.000 1.088 329 I CA 1.128 62.430 61.300 0.003 0.000 1.357 329 I CB -0.687 37.307 38.000 -0.011 0.000 1.051 329 I HN 0.225 nan 8.210 nan 0.000 0.409 330 T N 0.693 115.248 114.554 0.001 0.000 2.720 330 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 330 T C 1.915 176.632 174.700 0.027 0.000 1.037 330 T CA 1.390 63.490 62.100 0.001 0.000 1.144 330 T CB -0.183 68.676 68.868 -0.016 0.000 0.864 330 T HN 0.310 nan 8.240 nan 0.000 0.444 331 K N 0.543 120.961 120.400 0.030 0.000 2.057 331 K HA 0.032 4.352 4.320 -0.000 0.000 0.207 331 K C 2.305 178.957 176.600 0.087 0.000 1.049 331 K CA 1.001 57.315 56.287 0.046 0.000 0.931 331 K CB -0.387 32.134 32.500 0.034 0.000 0.714 331 K HN 0.299 nan 8.250 nan 0.000 0.440 332 L N 0.701 121.982 121.223 0.097 0.000 2.083 332 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 332 L C 2.352 179.376 176.870 0.257 0.000 1.083 332 L CA 0.820 55.758 54.840 0.165 0.000 0.752 332 L CB -0.471 41.634 42.059 0.077 0.000 0.899 332 L HN -0.008 nan 8.230 nan 0.000 0.433 333 V N -0.313 119.725 119.914 0.206 0.000 2.332 333 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 333 V C 2.722 179.018 176.094 0.337 0.000 1.055 333 V CA 1.616 64.095 62.300 0.299 0.000 1.038 333 V CB -0.619 31.247 31.823 0.071 0.000 0.651 333 V HN 0.435 nan 8.190 nan 0.000 0.450 334 R N 0.182 120.794 120.500 0.187 0.000 2.081 334 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 334 R C 2.115 178.497 176.300 0.137 0.000 1.131 334 R CA 1.385 57.571 56.100 0.144 0.000 0.960 334 R CB -0.678 29.668 30.300 0.078 0.000 0.856 334 R HN 0.645 nan 8.270 nan 0.000 0.436 335 E N -0.549 119.730 120.200 0.133 0.000 2.152 335 E HA -0.108 4.241 4.350 -0.000 0.000 0.192 335 E C 1.630 178.165 176.600 -0.108 0.000 0.983 335 E CA 0.723 57.138 56.400 0.023 0.000 0.818 335 E CB 0.010 29.727 29.700 0.029 0.000 0.758 335 E HN 0.531 nan 8.360 nan 0.000 0.467 336 H N -1.703 117.370 119.070 0.004 0.000 2.654 336 H HA 0.150 4.705 4.556 -0.001 0.000 0.264 336 H C -0.103 174.954 175.328 -0.451 0.000 0.954 336 H CA 0.304 56.212 56.048 -0.234 0.000 1.199 336 H CB 0.622 30.173 29.762 -0.351 0.000 1.446 336 H HN -0.004 nan 8.280 nan 0.000 0.516 337 F N 0.702 120.735 119.950 0.138 0.000 2.532 337 F HA 0.210 4.736 4.527 -0.000 0.000 0.321 337 F C 0.073 175.941 175.800 0.114 0.000 1.089 337 F CA -1.195 56.890 58.000 0.142 0.000 0.926 337 F CB 1.843 40.931 39.000 0.146 0.000 1.168 337 F HN -0.199 nan 8.300 nan 0.000 0.459 338 D N 3.106 123.676 120.400 0.283 0.000 2.428 338 D HA 0.261 4.901 4.640 -0.000 0.000 0.221 338 D C 0.359 176.790 176.300 0.218 0.000 1.123 338 D CA 0.122 54.241 54.000 0.199 0.000 0.869 338 D CB 0.879 41.765 40.800 0.143 0.000 1.032 338 D HN 0.546 nan 8.370 nan 0.000 0.506 339 L N 2.939 124.282 121.223 0.200 0.000 2.591 339 L HA 0.184 4.524 4.340 -0.000 0.000 0.228 339 L C 1.223 178.248 176.870 0.259 0.000 1.133 339 L CA -0.019 54.950 54.840 0.214 0.000 0.880 339 L CB 0.013 42.166 42.059 0.157 0.000 1.033 339 L HN 0.088 nan 8.230 nan 0.000 0.450 340 R N 0.511 121.128 120.500 0.195 0.000 2.643 340 R HA 0.033 4.373 4.340 -0.000 0.000 0.270 340 R C -1.391 174.983 176.300 0.124 0.000 1.061 340 R CA -1.393 54.817 56.100 0.183 0.000 1.107 340 R CB 0.120 30.491 30.300 0.119 0.000 0.999 340 R HN -0.169 nan 8.270 nan 0.000 0.460 341 P HA -0.235 nan 4.420 nan 0.000 0.214 341 P C 0.458 177.759 177.300 0.001 0.000 1.169 341 P CA 1.594 64.662 63.100 -0.054 0.000 0.908 341 P CB 0.184 31.818 31.700 -0.110 0.000 0.791 342 K N -1.098 119.316 120.400 0.024 0.000 2.288 342 K HA -0.001 4.318 4.320 -0.000 0.000 0.201 342 K C 2.245 178.883 176.600 0.064 0.000 1.048 342 K CA 1.080 57.393 56.287 0.043 0.000 0.956 342 K CB -0.806 31.721 32.500 0.044 0.000 0.746 342 K HN 0.163 nan 8.250 nan 0.000 0.461 343 G N 1.496 110.340 108.800 0.075 0.000 2.418 343 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 343 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 343 G C 1.444 176.411 174.900 0.112 0.000 1.158 343 G CA 0.635 45.792 45.100 0.095 0.000 0.771 343 G HN 0.152 nan 8.290 nan 0.000 0.545 344 I N 0.369 121.004 120.570 0.109 0.000 2.353 344 I HA -0.040 4.129 4.170 -0.000 0.000 0.248 344 I C 2.582 178.760 176.117 0.103 0.000 1.119 344 I CA 0.434 61.808 61.300 0.123 0.000 1.417 344 I CB -0.156 37.904 38.000 0.100 0.000 1.078 344 I HN 0.126 nan 8.210 nan 0.000 0.421 345 I N 0.571 121.188 120.570 0.078 0.000 2.163 345 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 345 I C 2.739 178.912 176.117 0.094 0.000 1.085 345 I CA 1.684 63.034 61.300 0.084 0.000 1.347 345 I CB -0.367 37.675 38.000 0.069 0.000 1.044 345 I HN 0.360 nan 8.210 nan 0.000 0.408 346 Q N 0.687 120.540 119.800 0.089 0.000 2.167 346 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 346 Q C 2.315 178.367 176.000 0.087 0.000 0.970 346 Q CA 1.447 57.300 55.803 0.085 0.000 0.855 346 Q CB -0.015 28.771 28.738 0.079 0.000 0.911 346 Q HN 0.493 nan 8.270 nan 0.000 0.438 347 M N -0.273 119.389 119.600 0.103 0.000 2.200 347 M HA -0.059 4.420 4.480 -0.000 0.000 0.265 347 M C 0.996 177.329 176.300 0.055 0.000 1.066 347 M CA 1.280 56.650 55.300 0.116 0.000 1.127 347 M CB 0.353 33.068 32.600 0.192 0.000 1.379 347 M HN 0.266 nan 8.290 nan 0.000 0.420 348 L N -0.546 120.709 121.223 0.054 0.000 2.728 348 L HA 0.158 4.498 4.340 -0.000 0.000 0.238 348 L C -0.029 176.908 176.870 0.113 0.000 1.143 348 L CA -0.349 54.518 54.840 0.045 0.000 0.937 348 L CB 0.046 42.182 42.059 0.128 0.000 1.225 348 L HN 0.256 nan 8.230 nan 0.000 0.507 349 D N 0.993 121.451 120.400 0.096 0.000 2.803 349 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 349 D C 0.651 177.029 176.300 0.130 0.000 1.182 349 D CA 0.550 54.604 54.000 0.090 0.000 0.726 349 D CB -0.740 40.095 40.800 0.057 0.000 0.987 349 D HN 0.267 nan 8.370 nan 0.000 0.412 350 L N 0.140 121.461 121.223 0.163 0.000 2.558 350 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 350 L C 1.357 178.366 176.870 0.233 0.000 1.128 350 L CA 0.046 55.038 54.840 0.254 0.000 0.868 350 L CB -0.024 42.188 42.059 0.256 0.000 1.006 350 L HN 0.276 nan 8.230 nan 0.000 0.454 351 L N 1.598 122.888 121.223 0.112 0.000 2.437 351 L HA 0.196 4.536 4.340 -0.000 0.000 0.243 351 L C 0.003 176.894 176.870 0.036 0.000 1.346 351 L CA 0.276 55.141 54.840 0.042 0.000 1.233 351 L CB -0.586 41.414 42.059 -0.098 0.000 1.436 351 L HN 0.195 nan 8.230 nan 0.000 0.416 352 R N 1.637 122.205 120.500 0.113 0.000 2.626 352 R HA 0.365 4.705 4.340 -0.000 0.000 0.274 352 R C -2.643 173.702 176.300 0.074 0.000 1.031 352 R CA -1.633 54.498 56.100 0.052 0.000 0.898 352 R CB 2.409 32.715 30.300 0.010 0.000 1.222 352 R HN -0.111 nan 8.270 nan 0.000 0.455 353 P HA 0.127 nan 4.420 nan 0.000 0.238 353 P C 0.185 177.484 177.300 -0.002 0.000 1.794 353 P CA 0.184 63.334 63.100 0.083 0.000 1.088 353 P CB -0.271 31.466 31.700 0.062 0.000 1.923 354 I N -3.391 117.071 120.570 -0.181 0.000 4.147 354 I HA 0.235 4.404 4.170 -0.000 0.000 0.329 354 I C 0.313 176.320 176.117 -0.184 0.000 1.424 354 I CA -0.414 60.760 61.300 -0.209 0.000 1.127 354 I CB -0.042 37.819 38.000 -0.232 0.000 1.128 354 I HN -0.147 nan 8.210 nan 0.000 0.417 355 Y N 1.601 122.013 120.300 0.187 0.000 2.476 355 Y HA 0.125 4.675 4.550 -0.000 0.000 0.283 355 Y C 2.552 178.524 175.900 0.120 0.000 1.109 355 Y CA 0.815 59.017 58.100 0.172 0.000 1.246 355 Y CB -0.079 38.465 38.460 0.140 0.000 1.068 355 Y HN 0.253 nan 8.280 nan 0.000 0.552 356 E N 1.202 121.532 120.200 0.217 0.000 2.130 356 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 356 E C 1.781 178.451 176.600 0.116 0.000 0.998 356 E CA 1.455 57.943 56.400 0.147 0.000 0.806 356 E CB -0.000 29.770 29.700 0.117 0.000 0.738 356 E HN 0.391 nan 8.360 nan 0.000 0.459 357 K N -0.400 120.084 120.400 0.141 0.000 2.148 357 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 357 K C 2.304 179.002 176.600 0.164 0.000 1.050 357 K CA 1.600 57.996 56.287 0.182 0.000 0.942 357 K CB -0.132 32.510 32.500 0.236 0.000 0.724 357 K HN 0.310 nan 8.250 nan 0.000 0.446 358 T N -1.550 113.028 114.554 0.041 0.000 2.962 358 T HA -0.014 4.335 4.350 -0.000 0.000 0.270 358 T C 1.808 176.145 174.700 -0.605 0.000 1.088 358 T CA 0.951 62.821 62.100 -0.384 0.000 1.127 358 T CB -0.032 68.603 68.868 -0.387 0.000 0.883 358 T HN 0.115 nan 8.240 nan 0.000 0.493 359 A N 0.733 123.422 122.820 -0.218 0.000 2.238 359 A HA 0.739 5.059 4.320 -0.000 0.000 0.208 359 A C 1.190 178.708 177.584 -0.109 0.000 1.177 359 A CA 0.255 52.236 52.037 -0.094 0.000 0.804 359 A CB -0.443 18.589 19.000 0.053 0.000 0.823 359 A HN 0.871 nan 8.150 nan 0.000 0.482 360 A N -2.673 120.035 122.820 -0.188 0.000 2.454 360 A HA 0.608 4.928 4.320 -0.000 0.000 0.302 360 A C -0.019 177.350 177.584 -0.359 0.000 1.079 360 A CA -0.506 51.292 52.037 -0.398 0.000 0.731 360 A CB 0.391 19.004 19.000 -0.646 0.000 1.299 360 A HN 0.951 nan 8.150 nan 0.000 0.413 361 Y N -0.675 119.589 120.300 -0.060 0.000 4.729 361 Y HA -0.066 4.483 4.550 -0.000 0.000 0.239 361 Y C 0.980 176.403 175.900 -0.795 0.000 1.043 361 Y CA 1.465 59.440 58.100 -0.209 0.000 2.045 361 Y CB -1.692 36.719 38.460 -0.082 0.000 1.599 361 Y HN 2.582 nan 8.280 nan 0.000 0.655 362 G N -0.850 107.629 108.800 -0.535 0.000 3.067 362 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 362 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 362 G C 0.157 174.903 174.900 -0.256 0.000 1.119 362 G CA -0.314 44.499 45.100 -0.478 0.000 0.790 362 G HN 0.541 nan 8.290 nan 0.000 0.605 363 H N 0.358 119.204 119.070 -0.373 0.000 2.529 363 H HA 0.129 4.685 4.556 -0.000 0.000 0.277 363 H C 0.383 175.471 175.328 -0.400 0.000 0.999 363 H CA 1.153 56.866 56.048 -0.558 0.000 1.256 363 H CB 0.270 29.524 29.762 -0.846 0.000 1.402 363 H HN 0.337 nan 8.280 nan 0.000 0.566 364 F N -0.645 119.386 119.950 0.134 0.000 2.551 364 F HA 0.471 4.998 4.527 -0.001 0.000 0.316 364 F C 1.140 177.061 175.800 0.202 0.000 1.089 364 F CA -0.758 57.349 58.000 0.178 0.000 0.915 364 F CB 2.040 41.116 39.000 0.128 0.000 1.186 364 F HN 0.083 nan 8.300 nan 0.000 0.456 365 G N 1.896 110.945 108.800 0.415 0.000 2.179 365 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 365 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 365 G C 0.019 175.103 174.900 0.306 0.000 0.990 365 G CA -0.738 44.571 45.100 0.348 0.000 0.646 365 G HN 0.601 nan 8.290 nan 0.000 0.517 366 R N 0.845 121.512 120.500 0.278 0.000 2.288 366 R HA 0.472 4.812 4.340 -0.000 0.000 0.326 366 R C -0.252 176.174 176.300 0.209 0.000 0.959 366 R CA -0.493 55.755 56.100 0.247 0.000 0.834 366 R CB 1.056 31.536 30.300 0.300 0.000 1.157 366 R HN 0.323 nan 8.270 nan 0.000 0.470 367 E N 2.971 123.225 120.200 0.090 0.000 2.261 367 E HA 0.016 4.365 4.350 -0.000 0.000 0.308 367 E C -0.353 176.181 176.600 -0.110 0.000 1.400 367 E CA -0.101 56.303 56.400 0.006 0.000 1.542 367 E CB 0.300 30.008 29.700 0.013 0.000 1.369 367 E HN 0.345 nan 8.360 nan 0.000 0.493 368 E N 0.719 120.769 120.200 -0.249 0.000 2.349 368 E HA 0.068 4.418 4.350 -0.000 0.000 0.265 368 E C -1.639 174.690 176.600 -0.451 0.000 1.064 368 E CA -2.160 53.947 56.400 -0.488 0.000 0.886 368 E CB 0.632 29.708 29.700 -1.039 0.000 1.036 368 E HN 0.062 nan 8.360 nan 0.000 0.413 369 P HA -0.193 nan 4.420 nan 0.000 0.215 369 P C 1.074 178.188 177.300 -0.309 0.000 1.153 369 P CA 1.355 64.296 63.100 -0.265 0.000 0.853 369 P CB 0.272 31.851 31.700 -0.203 0.000 0.788 370 E N -0.088 119.858 120.200 -0.424 0.000 2.153 370 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 370 E C 0.626 177.024 176.600 -0.336 0.000 0.988 370 E CA 0.758 56.950 56.400 -0.347 0.000 0.811 370 E CB -1.129 28.374 29.700 -0.329 0.000 0.746 370 E HN 0.378 nan 8.360 nan 0.000 0.466 371 F N 3.488 123.055 119.950 -0.638 0.000 2.652 371 F HA 0.069 4.596 4.527 -0.000 0.000 0.352 371 F C 1.699 176.834 175.800 -1.108 0.000 1.259 371 F CA -0.405 56.776 58.000 -1.366 0.000 1.249 371 F CB 0.096 38.361 39.000 -1.224 0.000 1.628 371 F HN -0.029 nan 8.300 nan 0.000 0.654 372 S N 0.904 116.249 115.700 -0.592 0.000 2.440 372 S HA -0.255 4.215 4.470 -0.000 0.000 0.240 372 S C 1.380 175.869 174.600 -0.186 0.000 1.014 372 S CA 0.965 59.017 58.200 -0.248 0.000 0.980 372 S CB -0.716 62.445 63.200 -0.066 0.000 0.775 372 S HN 0.824 nan 8.310 nan 0.000 0.499 373 W N 1.354 122.626 121.300 -0.046 0.000 2.937 373 W HA 0.419 5.079 4.660 -0.000 0.000 0.245 373 W C 1.335 177.958 176.519 0.173 0.000 1.306 373 W CA 0.235 57.570 57.345 -0.017 0.000 1.470 373 W CB -0.163 29.285 29.460 -0.020 0.000 1.132 373 W HN 0.122 nan 8.180 nan 0.000 0.675 374 E N 0.939 121.109 120.200 -0.049 0.000 2.476 374 E HA 0.193 4.543 4.350 -0.000 0.000 0.199 374 E C 0.579 177.244 176.600 0.108 0.000 1.021 374 E CA 0.204 56.639 56.400 0.060 0.000 0.907 374 E CB 0.107 29.792 29.700 -0.025 0.000 0.974 374 E HN 0.199 nan 8.360 nan 0.000 0.489 375 A N 1.357 124.261 122.820 0.139 0.000 2.454 375 A HA 0.412 4.732 4.320 -0.000 0.000 0.260 375 A C 0.784 178.512 177.584 0.239 0.000 1.106 375 A CA 0.290 52.423 52.037 0.161 0.000 0.780 375 A CB 0.310 19.397 19.000 0.145 0.000 1.044 375 A HN 0.108 nan 8.150 nan 0.000 0.498 376 A N 2.961 125.857 122.820 0.126 0.000 3.019 376 A HA 0.312 4.632 4.320 -0.000 0.000 0.262 376 A C 0.717 178.339 177.584 0.062 0.000 1.509 376 A CA 0.356 52.440 52.037 0.077 0.000 1.159 376 A CB -0.632 18.392 19.000 0.039 0.000 1.042 376 A HN 0.818 nan 8.150 nan 0.000 0.641 377 D N -0.969 119.499 120.400 0.114 0.000 2.328 377 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 377 D C 0.827 177.150 176.300 0.039 0.000 1.066 377 D CA 0.566 54.619 54.000 0.088 0.000 0.861 377 D CB 0.086 40.965 40.800 0.132 0.000 0.912 377 D HN 0.453 nan 8.370 nan 0.000 0.521 378 K N -0.429 119.956 120.400 -0.025 0.000 2.402 378 K HA 0.379 4.699 4.320 -0.000 0.000 0.204 378 K C 1.684 178.235 176.600 -0.081 0.000 1.056 378 K CA 0.249 56.480 56.287 -0.094 0.000 1.069 378 K CB 0.868 33.211 32.500 -0.261 0.000 0.888 378 K HN 0.074 nan 8.250 nan 0.000 0.546 379 A N 1.221 124.015 122.820 -0.045 0.000 1.865 379 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 379 A C 1.845 179.400 177.584 -0.049 0.000 1.191 379 A CA 1.504 53.517 52.037 -0.041 0.000 0.623 379 A CB -0.415 18.572 19.000 -0.021 0.000 0.826 379 A HN 0.135 nan 8.150 nan 0.000 0.444 380 L N -0.457 120.746 121.223 -0.033 0.000 2.083 380 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 380 L C 2.985 179.833 176.870 -0.037 0.000 1.083 380 L CA 1.886 56.710 54.840 -0.028 0.000 0.752 380 L CB -0.928 41.123 42.059 -0.013 0.000 0.899 380 L HN 0.409 nan 8.230 nan 0.000 0.433 381 A N -0.980 121.815 122.820 -0.042 0.000 1.930 381 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 381 A C 2.333 179.829 177.584 -0.147 0.000 1.175 381 A CA 1.456 53.477 52.037 -0.027 0.000 0.627 381 A CB -0.676 18.349 19.000 0.041 0.000 0.815 381 A HN 0.367 nan 8.150 nan 0.000 0.443 382 L N -0.885 120.188 121.223 -0.250 0.000 2.056 382 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 382 L C 3.116 179.891 176.870 -0.158 0.000 1.078 382 L CA 1.002 55.651 54.840 -0.319 0.000 0.749 382 L CB -0.479 41.451 42.059 -0.215 0.000 0.901 382 L HN 0.431 nan 8.230 nan 0.000 0.433 383 A N -0.054 122.710 122.820 -0.094 0.000 1.908 383 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 383 A C 2.178 179.737 177.584 -0.041 0.000 1.181 383 A CA 2.062 54.067 52.037 -0.054 0.000 0.627 383 A CB -0.524 18.454 19.000 -0.038 0.000 0.818 383 A HN 0.464 nan 8.150 nan 0.000 0.445 384 E N -0.011 120.167 120.200 -0.036 0.000 2.051 384 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 384 E C 1.990 178.587 176.600 -0.004 0.000 0.991 384 E CA 1.486 57.879 56.400 -0.013 0.000 0.799 384 E CB -0.360 29.341 29.700 0.001 0.000 0.748 384 E HN 0.488 nan 8.360 nan 0.000 0.449 385 A N 0.572 123.385 122.820 -0.011 0.000 1.969 385 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 385 A C 2.344 179.932 177.584 0.005 0.000 1.169 385 A CA 1.562 53.612 52.037 0.023 0.000 0.635 385 A CB -0.687 18.357 19.000 0.073 0.000 0.810 385 A HN 0.405 nan 8.150 nan 0.000 0.445 386 A N -1.448 121.359 122.820 -0.022 0.000 1.968 386 A HA 0.446 4.766 4.320 -0.000 0.000 0.217 386 A C 1.473 179.053 177.584 -0.007 0.000 1.169 386 A CA 1.656 53.683 52.037 -0.015 0.000 0.638 386 A CB -0.736 18.247 19.000 -0.028 0.000 0.812 386 A HN 2.048 nan 8.150 nan 0.000 0.446 387 G N 0.000 108.796 108.800 -0.007 0.000 5.446 387 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 387 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 387 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 387 G HN 0.000 nan 8.290 nan 0.000 0.925