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 1tee_1_D DATA FIRST_RESID 31 DATA SEQUENCE TVAVIEGLAT GTPRRVVNQS DAADRVAELX XXXGQRERIP RVYQKSRITT DATA SEQUENCE RRMAVDPLDA KFDVFRREPA TIRDRMHLFY EHAVPLAVDV SKRALAGLPY DATA SEQUENCE RAAEIGLLVL ATSTGFIAPG VDVAIVKELG LSPSISRVVV NFMGCAAAMN DATA SEQUENCE ALGTATNYVR AHPAMKALVV CIELFSVNAV FADDINDVVI HSLFGDGCAA DATA SEQUENCE LVIGASQVQE KLEPGKVVVR SSFSQLLDNT EDGIVLGVNH NGITCELSEN DATA SEQUENCE LPGYIFSGVA PVVTEMLWDN GLQISDIDLW AIHPGGPKII EQSVRSLGIS DATA SEQUENCE AELAAQSWDV LARFGNMLSV SLIFVLETMV QQAESAKAIS TGVAFAFGPG DATA SEQUENCE VTVEGMLFDI IRR 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 31 T HA 0.000 nan 4.350 nan 0.000 0.228 31 T C 0.000 174.693 174.700 -0.012 0.000 1.109 31 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 31 T CB 0.000 68.849 68.868 -0.031 0.000 0.612 32 V N 2.780 122.689 119.914 -0.008 0.000 2.789 32 V HA 0.886 5.005 4.120 -0.002 0.000 0.311 32 V C 0.255 176.350 176.094 0.002 0.000 1.073 32 V CA -0.920 61.381 62.300 0.001 0.000 0.921 32 V CB 1.872 33.699 31.823 0.007 0.000 1.009 32 V HN 1.203 nan 8.190 nan 0.000 0.426 33 A N 3.857 126.682 122.820 0.009 0.000 2.276 33 A HA 0.765 5.084 4.320 -0.002 0.000 0.300 33 A C -0.574 177.020 177.584 0.017 0.000 1.235 33 A CA -0.328 51.716 52.037 0.011 0.000 0.867 33 A CB 0.592 19.601 19.000 0.015 0.000 1.137 33 A HN 0.725 nan 8.150 nan 0.000 0.527 34 V N 4.367 124.290 119.914 0.015 0.000 2.555 34 V HA 0.313 4.432 4.120 -0.002 0.000 0.302 34 V C -0.021 176.081 176.094 0.013 0.000 1.038 34 V CA -0.388 61.923 62.300 0.018 0.000 0.887 34 V CB 1.827 33.666 31.823 0.027 0.000 0.991 34 V HN 0.773 nan 8.190 nan 0.000 0.434 35 I N 3.989 124.560 120.570 0.001 0.000 2.294 35 I HA 0.232 4.401 4.170 -0.002 0.000 0.295 35 I C 1.061 177.182 176.117 0.006 0.000 1.098 35 I CA 0.181 61.474 61.300 -0.012 0.000 1.277 35 I CB 0.663 38.632 38.000 -0.052 0.000 1.434 35 I HN 0.782 nan 8.210 nan 0.000 0.498 36 E N 4.265 124.486 120.200 0.034 0.000 2.447 36 E HA 0.165 4.514 4.350 -0.002 0.000 0.195 36 E C 0.886 177.520 176.600 0.056 0.000 1.028 36 E CA -0.151 56.289 56.400 0.066 0.000 0.876 36 E CB 0.684 30.471 29.700 0.145 0.000 0.885 36 E HN 0.748 nan 8.360 nan 0.000 0.500 37 G N 1.020 109.841 108.800 0.035 0.000 2.659 37 G HA2 0.645 4.604 3.960 -0.002 0.000 0.296 37 G HA3 0.645 4.604 3.960 -0.002 0.000 0.296 37 G C -1.747 173.139 174.900 -0.022 0.000 1.369 37 G CA -0.510 44.598 45.100 0.014 0.000 0.937 37 G HN 0.036 nan 8.290 nan 0.000 0.485 38 L N 0.549 121.744 121.223 -0.046 0.000 2.565 38 L HA 0.750 5.089 4.340 -0.002 0.000 0.261 38 L C -0.983 175.826 176.870 -0.102 0.000 0.932 38 L CA -0.678 54.114 54.840 -0.079 0.000 0.878 38 L CB 1.897 43.900 42.059 -0.093 0.000 1.333 38 L HN 1.063 nan 8.230 nan 0.000 0.409 39 A N 1.960 124.704 122.820 -0.127 0.000 2.547 39 A HA 0.829 5.148 4.320 -0.002 0.000 0.297 39 A C -0.756 176.693 177.584 -0.226 0.000 1.056 39 A CA -0.147 51.797 52.037 -0.155 0.000 0.688 39 A CB 2.060 20.997 19.000 -0.104 0.000 1.282 39 A HN 0.619 nan 8.150 nan 0.000 0.400 40 T N -0.777 113.583 114.554 -0.325 0.000 2.924 40 T HA 0.925 5.274 4.350 -0.002 0.000 0.291 40 T C 0.100 174.625 174.700 -0.292 0.000 1.045 40 T CA -0.199 61.605 62.100 -0.493 0.000 1.015 40 T CB 1.949 70.089 68.868 -1.214 0.000 1.103 40 T HN 2.018 nan 8.240 nan 0.000 0.496 41 G N -0.684 108.022 108.800 -0.156 0.000 2.682 41 G HA2 0.698 4.657 3.960 -0.002 0.000 0.290 41 G HA3 0.698 4.657 3.960 -0.002 0.000 0.290 41 G C -1.311 173.644 174.900 0.092 0.000 1.425 41 G CA -0.687 44.397 45.100 -0.027 0.000 0.807 41 G HN 0.957 nan 8.290 nan 0.000 0.482 42 T N 0.429 115.035 114.554 0.087 0.000 2.893 42 T HA 0.582 4.931 4.350 -0.002 0.000 0.337 42 T C -2.966 171.788 174.700 0.090 0.000 1.587 42 T CA -0.581 61.588 62.100 0.115 0.000 1.066 42 T CB 1.993 70.973 68.868 0.188 0.000 1.414 42 T HN 0.487 nan 8.240 nan 0.000 0.488 43 P HA 0.262 nan 4.420 nan 0.000 0.268 43 P C 1.052 178.400 177.300 0.080 0.000 1.204 43 P CA 0.012 63.153 63.100 0.068 0.000 0.768 43 P CB 0.487 32.221 31.700 0.058 0.000 0.842 44 R N 3.858 124.398 120.500 0.065 0.000 2.113 44 R HA -0.197 4.142 4.340 -0.002 0.000 0.244 44 R C 1.590 177.928 176.300 0.063 0.000 1.142 44 R CA 1.970 58.108 56.100 0.062 0.000 0.953 44 R CB -1.505 28.822 30.300 0.044 0.000 0.860 44 R HN 0.645 nan 8.270 nan 0.000 0.438 45 R N 0.742 121.275 120.500 0.055 0.000 2.504 45 R HA 0.159 4.498 4.340 -0.002 0.000 0.291 45 R C -0.910 175.425 176.300 0.057 0.000 0.974 45 R CA 0.254 56.383 56.100 0.048 0.000 1.077 45 R CB 0.243 30.565 30.300 0.037 0.000 0.926 45 R HN 0.280 nan 8.270 nan 0.000 0.407 46 V N 5.700 125.644 119.914 0.049 0.000 2.532 46 V HA 0.375 4.494 4.120 -0.002 0.000 0.295 46 V C -0.362 175.756 176.094 0.040 0.000 1.041 46 V CA -0.660 61.666 62.300 0.045 0.000 0.926 46 V CB 1.917 33.758 31.823 0.030 0.000 0.992 46 V HN 0.545 nan 8.190 nan 0.000 0.457 47 V N 4.285 124.226 119.914 0.045 0.000 2.443 47 V HA 0.383 4.502 4.120 -0.002 0.000 0.293 47 V C -0.013 176.110 176.094 0.048 0.000 1.021 47 V CA -0.811 61.521 62.300 0.054 0.000 0.848 47 V CB 1.727 33.600 31.823 0.083 0.000 0.998 47 V HN 0.932 nan 8.190 nan 0.000 0.424 48 N N 4.562 123.286 118.700 0.041 0.000 2.458 48 N HA 0.107 4.846 4.740 -0.002 0.000 0.270 48 N C 0.880 176.430 175.510 0.067 0.000 1.102 48 N CA -0.373 52.699 53.050 0.036 0.000 0.967 48 N CB 1.609 40.109 38.487 0.021 0.000 1.078 48 N HN 0.626 nan 8.380 nan 0.000 0.471 49 Q N 2.354 122.204 119.800 0.084 0.000 2.112 49 Q HA -0.133 4.206 4.340 -0.002 0.000 0.206 49 Q C 1.572 177.657 176.000 0.142 0.000 0.987 49 Q CA 1.506 57.405 55.803 0.159 0.000 0.858 49 Q CB -0.333 28.491 28.738 0.143 0.000 0.905 49 Q HN 0.683 nan 8.270 nan 0.000 0.420 50 S N 1.359 117.103 115.700 0.074 0.000 2.365 50 S HA -0.171 4.298 4.470 -0.002 0.000 0.225 50 S C 1.482 176.083 174.600 0.002 0.000 1.039 50 S CA 1.600 59.821 58.200 0.035 0.000 1.033 50 S CB -0.256 62.954 63.200 0.017 0.000 0.887 50 S HN 0.394 nan 8.310 nan 0.000 0.447 51 D N 1.610 122.015 120.400 0.008 0.000 2.084 51 D HA 0.007 4.646 4.640 -0.002 0.000 0.196 51 D C 2.321 178.600 176.300 -0.035 0.000 0.985 51 D CA 1.212 55.204 54.000 -0.014 0.000 0.826 51 D CB -0.707 40.093 40.800 0.001 0.000 0.978 51 D HN 0.363 nan 8.370 nan 0.000 0.456 52 A N 1.785 124.613 122.820 0.014 0.000 1.896 52 A HA -0.259 4.060 4.320 -0.002 0.000 0.220 52 A C 2.397 179.868 177.584 -0.189 0.000 1.206 52 A CA 3.209 55.257 52.037 0.019 0.000 0.647 52 A CB -1.072 18.056 19.000 0.214 0.000 0.828 52 A HN 0.277 nan 8.150 nan 0.000 0.455 53 A N -0.206 122.432 122.820 -0.303 0.000 1.884 53 A HA -0.288 4.031 4.320 -0.002 0.000 0.219 53 A C 1.839 179.181 177.584 -0.403 0.000 1.197 53 A CA 2.162 53.789 52.037 -0.684 0.000 0.637 53 A CB -0.830 17.954 19.000 -0.359 0.000 0.827 53 A HN 0.570 nan 8.150 nan 0.000 0.450 54 D N -0.926 119.343 120.400 -0.218 0.000 2.084 54 D HA -0.144 4.495 4.640 -0.002 0.000 0.194 54 D C 2.153 178.356 176.300 -0.161 0.000 0.990 54 D CA 1.246 55.153 54.000 -0.156 0.000 0.826 54 D CB -0.434 40.310 40.800 -0.095 0.000 0.971 54 D HN 0.392 nan 8.370 nan 0.000 0.453 55 R N 0.516 120.927 120.500 -0.148 0.000 2.105 55 R HA -0.107 4.232 4.340 -0.002 0.000 0.239 55 R C 2.343 178.513 176.300 -0.215 0.000 1.135 55 R CA 0.723 56.736 56.100 -0.144 0.000 0.967 55 R CB -0.224 30.011 30.300 -0.109 0.000 0.861 55 R HN 0.084 nan 8.270 nan 0.000 0.442 56 V N 0.411 120.146 119.914 -0.297 0.000 2.323 56 V HA -0.187 3.932 4.120 -0.002 0.000 0.244 56 V C 2.435 178.365 176.094 -0.274 0.000 1.041 56 V CA 1.719 63.788 62.300 -0.385 0.000 1.025 56 V CB -0.652 30.916 31.823 -0.425 0.000 0.656 56 V HN 0.407 nan 8.190 nan 0.000 0.451 57 A N 0.126 122.794 122.820 -0.253 0.000 1.903 57 A HA -0.293 4.026 4.320 -0.002 0.000 0.219 57 A C 1.888 179.400 177.584 -0.121 0.000 1.191 57 A CA 1.975 53.910 52.037 -0.171 0.000 0.638 57 A CB -0.655 18.251 19.000 -0.157 0.000 0.823 57 A HN 0.672 nan 8.150 nan 0.000 0.451 58 E N -0.255 119.873 120.200 -0.120 0.000 2.499 58 E HA 0.025 4.374 4.350 -0.002 0.000 0.207 58 E C -0.089 176.466 176.600 -0.075 0.000 1.175 58 E CA -0.048 56.300 56.400 -0.085 0.000 0.932 58 E CB -0.548 29.105 29.700 -0.078 0.000 0.906 58 E HN 0.612 nan 8.360 nan 0.000 0.556 65 Q N 0.277 120.076 119.800 -0.003 0.000 2.647 65 Q HA 0.686 5.025 4.340 -0.002 0.000 0.400 65 Q C 1.049 177.047 176.000 -0.003 0.000 0.959 65 Q CA 0.593 56.395 55.803 -0.002 0.000 1.079 65 Q CB -0.277 28.463 28.738 0.002 0.000 1.351 65 Q HN 0.963 nan 8.270 nan 0.000 0.411 66 R N 0.367 120.860 120.500 -0.012 0.000 2.328 66 R HA 0.048 4.387 4.340 -0.002 0.000 0.200 66 R C 1.276 177.562 176.300 -0.023 0.000 0.983 66 R CA 0.893 56.980 56.100 -0.022 0.000 1.062 66 R CB -0.432 29.847 30.300 -0.036 0.000 0.956 66 R HN 0.652 nan 8.270 nan 0.000 0.479 67 E N 0.189 120.382 120.200 -0.013 0.000 2.274 67 E HA -0.128 4.221 4.350 -0.002 0.000 0.194 67 E C 1.800 178.401 176.600 0.002 0.000 0.996 67 E CA 0.728 57.123 56.400 -0.010 0.000 0.840 67 E CB -0.096 29.600 29.700 -0.006 0.000 0.772 67 E HN 0.647 nan 8.360 nan 0.000 0.491 68 R N 0.773 121.279 120.500 0.010 0.000 2.075 68 R HA -0.037 4.302 4.340 -0.002 0.000 0.232 68 R C 2.411 178.744 176.300 0.056 0.000 1.126 68 R CA 0.735 56.853 56.100 0.030 0.000 0.963 68 R CB -0.142 30.178 30.300 0.033 0.000 0.858 68 R HN 0.101 nan 8.270 nan 0.000 0.435 69 I N 0.922 121.516 120.570 0.039 0.000 2.163 69 I HA -0.224 3.945 4.170 -0.002 0.000 0.243 69 I C -0.835 175.312 176.117 0.050 0.000 1.085 69 I CA 1.361 62.691 61.300 0.050 0.000 1.347 69 I CB -1.018 36.933 38.000 -0.081 0.000 1.044 69 I HN 0.182 nan 8.210 nan 0.000 0.408 70 P HA -0.129 nan 4.420 nan 0.000 0.217 70 P C 1.470 178.821 177.300 0.086 0.000 1.150 70 P CA 1.146 64.246 63.100 -0.000 0.000 0.832 70 P CB -0.067 31.617 31.700 -0.025 0.000 0.787 71 R N -0.232 120.312 120.500 0.072 0.000 2.080 71 R HA -0.098 4.241 4.340 -0.002 0.000 0.236 71 R C 2.302 178.659 176.300 0.095 0.000 1.137 71 R CA 1.274 57.414 56.100 0.067 0.000 0.943 71 R CB -1.949 28.378 30.300 0.044 0.000 0.846 71 R HN 0.176 nan 8.270 nan 0.000 0.431 72 V N 0.323 120.318 119.914 0.134 0.000 2.343 72 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 72 V C 1.845 177.994 176.094 0.092 0.000 1.051 72 V CA 1.668 64.032 62.300 0.106 0.000 1.036 72 V CB -0.506 31.387 31.823 0.117 0.000 0.654 72 V HN 0.206 nan 8.190 nan 0.000 0.451 73 Y N 1.636 121.941 120.300 0.009 0.000 2.242 73 Y HA -0.188 4.361 4.550 -0.002 0.000 0.291 73 Y C 2.809 178.712 175.900 0.006 0.000 1.137 73 Y CA 2.061 60.167 58.100 0.011 0.000 1.181 73 Y CB -0.714 37.755 38.460 0.015 0.000 0.989 73 Y HN 0.588 nan 8.280 nan 0.000 0.527 74 Q N 0.431 120.320 119.800 0.148 0.000 2.079 74 Q HA -0.143 4.196 4.340 -0.002 0.000 0.200 74 Q C 2.201 178.224 176.000 0.039 0.000 0.974 74 Q CA 1.949 57.796 55.803 0.074 0.000 0.840 74 Q CB -0.539 28.230 28.738 0.051 0.000 0.898 74 Q HN 0.363 nan 8.270 nan 0.000 0.430 75 K N 1.351 121.771 120.400 0.033 0.000 2.365 75 K HA -0.011 4.308 4.320 -0.002 0.000 0.199 75 K C 2.015 178.622 176.600 0.012 0.000 1.045 75 K CA 1.217 57.514 56.287 0.017 0.000 0.962 75 K CB -0.738 31.770 32.500 0.014 0.000 0.759 75 K HN 0.615 nan 8.250 nan 0.000 0.469 76 S N 0.223 115.914 115.700 -0.014 0.000 2.399 76 S HA -0.194 4.275 4.470 -0.002 0.000 0.231 76 S C 1.167 175.783 174.600 0.026 0.000 1.022 76 S CA 0.940 59.115 58.200 -0.041 0.000 0.983 76 S CB -0.329 62.794 63.200 -0.130 0.000 0.803 76 S HN 0.646 nan 8.310 nan 0.000 0.480 77 R N 0.019 120.540 120.500 0.036 0.000 3.656 77 R HA -0.093 4.246 4.340 -0.002 0.000 0.297 77 R C -1.035 175.305 176.300 0.067 0.000 1.166 77 R CA 0.978 57.114 56.100 0.060 0.000 0.799 77 R CB -2.534 27.849 30.300 0.138 0.000 1.285 77 R HN 0.552 nan 8.270 nan 0.000 0.477 78 I N -0.589 119.997 120.570 0.027 0.000 2.406 78 I HA 0.167 4.336 4.170 -0.002 0.000 0.290 78 I C 1.347 177.469 176.117 0.007 0.000 0.999 78 I CA -0.451 60.856 61.300 0.011 0.000 1.124 78 I CB 2.030 40.018 38.000 -0.019 0.000 1.289 78 I HN -0.052 nan 8.210 nan 0.000 0.441 79 T N 2.408 116.956 114.554 -0.010 0.000 3.033 79 T HA 0.091 4.440 4.350 -0.002 0.000 0.248 79 T C 0.517 175.207 174.700 -0.018 0.000 1.040 79 T CA 0.738 62.830 62.100 -0.013 0.000 1.133 79 T CB 0.250 69.099 68.868 -0.031 0.000 0.895 79 T HN 0.802 nan 8.240 nan 0.000 0.465 80 T N 0.819 115.342 114.554 -0.051 0.000 2.821 80 T HA 0.723 5.072 4.350 -0.002 0.000 0.306 80 T C -1.701 172.965 174.700 -0.057 0.000 1.313 80 T CA -1.326 60.745 62.100 -0.049 0.000 1.012 80 T CB 2.587 71.403 68.868 -0.086 0.000 1.298 80 T HN 0.432 nan 8.240 nan 0.000 0.502 81 R N -0.190 120.311 120.500 0.001 0.000 2.629 81 R HA 0.699 5.038 4.340 -0.002 0.000 0.266 81 R C -1.360 174.996 176.300 0.093 0.000 1.051 81 R CA -1.290 54.844 56.100 0.057 0.000 0.895 81 R CB 1.188 31.533 30.300 0.075 0.000 1.246 81 R HN 0.411 nan 8.270 nan 0.000 0.459 82 R N 2.041 122.628 120.500 0.145 0.000 2.459 82 R HA 0.477 4.816 4.340 -0.002 0.000 0.281 82 R C -0.353 176.004 176.300 0.095 0.000 1.050 82 R CA -0.539 55.638 56.100 0.127 0.000 1.055 82 R CB 0.789 31.191 30.300 0.170 0.000 1.045 82 R HN 0.703 nan 8.270 nan 0.000 0.495 83 M N 1.045 120.683 119.600 0.063 0.000 2.213 83 M HA 0.280 4.759 4.480 -0.002 0.000 0.286 83 M C 0.645 176.930 176.300 -0.024 0.000 1.008 83 M CA -0.495 54.818 55.300 0.023 0.000 0.937 83 M CB 2.389 35.003 32.600 0.024 0.000 1.600 83 M HN 0.765 nan 8.290 nan 0.000 0.450 84 A N 3.132 125.909 122.820 -0.071 0.000 2.024 84 A HA 0.103 4.422 4.320 -0.002 0.000 0.220 84 A C 0.615 178.055 177.584 -0.240 0.000 1.164 84 A CA 1.272 53.236 52.037 -0.122 0.000 0.643 84 A CB 0.033 18.888 19.000 -0.241 0.000 0.806 84 A HN 0.548 nan 8.150 nan 0.000 0.451 85 V N -0.714 119.032 119.914 -0.280 0.000 3.078 85 V HA 0.352 4.471 4.120 -0.002 0.000 0.311 85 V C -1.422 174.515 176.094 -0.261 0.000 1.138 85 V CA -0.857 61.253 62.300 -0.317 0.000 1.007 85 V CB 2.079 33.583 31.823 -0.532 0.000 1.045 85 V HN 0.265 nan 8.190 nan 0.000 0.432 86 D N 3.785 124.053 120.400 -0.220 0.000 2.485 86 D HA 0.348 4.987 4.640 -0.002 0.000 0.221 86 D C -1.308 174.872 176.300 -0.201 0.000 1.112 86 D CA -2.132 51.796 54.000 -0.120 0.000 0.911 86 D CB 1.649 42.437 40.800 -0.020 0.000 1.019 86 D HN 0.234 nan 8.370 nan 0.000 0.516 87 P HA -0.120 nan 4.420 nan 0.000 0.226 87 P C 1.160 178.684 177.300 0.374 0.000 1.146 87 P CA 0.654 63.672 63.100 -0.138 0.000 0.773 87 P CB 0.455 32.232 31.700 0.129 0.000 0.772 88 L N -1.232 120.126 121.223 0.225 0.000 2.616 88 L HA 0.185 4.524 4.340 -0.002 0.000 0.229 88 L C 1.245 178.204 176.870 0.149 0.000 1.110 88 L CA -0.261 54.682 54.840 0.171 0.000 0.884 88 L CB -0.470 41.616 42.059 0.044 0.000 1.115 88 L HN -0.051 nan 8.230 nan 0.000 0.481 89 D N 0.973 121.467 120.400 0.157 0.000 2.478 89 D HA -0.055 4.584 4.640 -0.002 0.000 0.234 89 D C 1.167 177.566 176.300 0.165 0.000 1.154 89 D CA 0.733 54.815 54.000 0.137 0.000 0.874 89 D CB 1.655 42.535 40.800 0.134 0.000 1.198 89 D HN 0.127 nan 8.370 nan 0.000 0.455 90 A N 5.111 127.999 122.820 0.114 0.000 1.892 90 A HA -0.279 4.040 4.320 -0.002 0.000 0.218 90 A C 2.042 179.700 177.584 0.123 0.000 1.188 90 A CA 2.591 54.688 52.037 0.101 0.000 0.631 90 A CB -0.566 18.476 19.000 0.070 0.000 0.822 90 A HN 0.828 nan 8.150 nan 0.000 0.447 91 K N -1.803 118.676 120.400 0.131 0.000 1.977 91 K HA -0.207 4.112 4.320 -0.002 0.000 0.218 91 K C 1.907 178.616 176.600 0.182 0.000 1.051 91 K CA 1.838 58.204 56.287 0.132 0.000 0.953 91 K CB -0.851 31.726 32.500 0.127 0.000 0.727 91 K HN 0.264 nan 8.250 nan 0.000 0.445 92 F N 2.802 122.811 119.950 0.098 0.000 2.091 92 F HA -0.242 4.284 4.527 -0.002 0.000 0.299 92 F C 2.123 178.051 175.800 0.212 0.000 1.103 92 F CA 2.181 60.281 58.000 0.167 0.000 1.228 92 F CB -0.546 38.545 39.000 0.151 0.000 0.984 92 F HN 0.229 nan 8.300 nan 0.000 0.477 93 D N -0.338 120.260 120.400 0.330 0.000 2.191 93 D HA -0.199 4.440 4.640 -0.002 0.000 0.195 93 D C 2.142 178.511 176.300 0.116 0.000 1.003 93 D CA 1.625 55.760 54.000 0.225 0.000 0.867 93 D CB -0.161 40.739 40.800 0.167 0.000 0.926 93 D HN 0.193 nan 8.370 nan 0.000 0.450 94 V N -0.115 119.854 119.914 0.093 0.000 2.346 94 V HA -0.140 3.979 4.120 -0.002 0.000 0.244 94 V C 2.117 178.226 176.094 0.026 0.000 1.037 94 V CA 1.457 63.791 62.300 0.057 0.000 1.029 94 V CB -0.738 31.125 31.823 0.065 0.000 0.663 94 V HN 0.210 nan 8.190 nan 0.000 0.454 95 F N 2.866 122.715 119.950 -0.169 0.000 2.134 95 F HA -0.222 4.304 4.527 -0.002 0.000 0.299 95 F C 2.445 178.066 175.800 -0.298 0.000 1.097 95 F CA 2.022 59.865 58.000 -0.262 0.000 1.264 95 F CB -0.218 38.529 39.000 -0.420 0.000 1.001 95 F HN 0.181 nan 8.300 nan 0.000 0.479 96 R N 0.160 120.425 120.500 -0.392 0.000 2.235 96 R HA 0.039 4.378 4.340 -0.002 0.000 0.213 96 R C 1.769 177.963 176.300 -0.177 0.000 1.059 96 R CA 1.060 56.957 56.100 -0.338 0.000 0.997 96 R CB -1.053 29.262 30.300 0.024 0.000 0.884 96 R HN 0.218 nan 8.270 nan 0.000 0.462 97 R N 0.854 121.288 120.500 -0.110 0.000 2.276 97 R HA 0.125 4.464 4.340 -0.002 0.000 0.196 97 R C -0.065 176.183 176.300 -0.088 0.000 0.961 97 R CA 0.240 56.310 56.100 -0.050 0.000 1.024 97 R CB 0.134 30.432 30.300 -0.003 0.000 0.940 97 R HN 0.454 nan 8.270 nan 0.000 0.480 98 E N 1.565 121.656 120.200 -0.181 0.000 2.374 98 E HA 0.152 4.501 4.350 -0.002 0.000 0.260 98 E C -2.184 174.320 176.600 -0.159 0.000 1.101 98 E CA -1.715 54.587 56.400 -0.164 0.000 0.907 98 E CB 0.730 30.301 29.700 -0.215 0.000 1.014 98 E HN 0.014 nan 8.360 nan 0.000 0.427 99 P HA 0.172 nan 4.420 nan 0.000 0.283 99 P C -1.057 176.313 177.300 0.117 0.000 1.278 99 P CA -0.298 62.892 63.100 0.150 0.000 0.834 99 P CB 0.965 32.774 31.700 0.181 0.000 1.150 100 A N 0.562 123.600 122.820 0.364 0.000 2.415 100 A HA -0.123 4.196 4.320 -0.002 0.000 0.292 100 A C 0.801 178.393 177.584 0.014 0.000 1.452 100 A CA 1.387 53.519 52.037 0.158 0.000 0.750 100 A CB -2.785 16.284 19.000 0.115 0.000 1.099 100 A HN 0.708 nan 8.150 nan 0.000 0.391 101 T N -2.753 111.744 114.554 -0.095 0.000 3.084 101 T HA 0.365 4.714 4.350 -0.002 0.000 0.270 101 T C 1.346 176.054 174.700 0.014 0.000 1.008 101 T CA 0.543 62.591 62.100 -0.087 0.000 0.900 101 T CB -0.471 68.118 68.868 -0.463 0.000 1.084 101 T HN 0.952 nan 8.240 nan 0.000 0.538 102 I N 1.290 121.853 120.570 -0.012 0.000 2.113 102 I HA -0.101 4.068 4.170 -0.002 0.000 0.242 102 I C 2.506 178.639 176.117 0.026 0.000 1.064 102 I CA 1.220 62.523 61.300 0.004 0.000 1.320 102 I CB -1.285 36.716 38.000 0.003 0.000 1.028 102 I HN 0.101 nan 8.210 nan 0.000 0.406 103 R N 1.452 121.971 120.500 0.031 0.000 2.115 103 R HA -0.205 4.134 4.340 -0.002 0.000 0.239 103 R C 1.983 178.307 176.300 0.040 0.000 1.133 103 R CA 2.221 58.313 56.100 -0.013 0.000 0.935 103 R CB -1.071 29.259 30.300 0.051 0.000 0.853 103 R HN 0.525 nan 8.270 nan 0.000 0.433 104 D N -0.372 120.162 120.400 0.224 0.000 2.123 104 D HA -0.166 4.473 4.640 -0.002 0.000 0.196 104 D C 2.094 178.559 176.300 0.274 0.000 0.992 104 D CA 1.321 55.511 54.000 0.318 0.000 0.833 104 D CB -0.206 40.798 40.800 0.341 0.000 0.954 104 D HN 0.264 nan 8.370 nan 0.000 0.455 105 R N -0.155 120.515 120.500 0.282 0.000 2.083 105 R HA -0.064 4.275 4.340 -0.002 0.000 0.237 105 R C 2.392 178.784 176.300 0.154 0.000 1.137 105 R CA 1.052 57.298 56.100 0.243 0.000 0.951 105 R CB -0.123 30.282 30.300 0.174 0.000 0.851 105 R HN 0.161 nan 8.270 nan 0.000 0.434 106 M N -0.165 119.460 119.600 0.042 0.000 2.159 106 M HA -0.147 4.332 4.480 -0.002 0.000 0.263 106 M C 1.974 178.343 176.300 0.115 0.000 1.063 106 M CA 1.650 56.944 55.300 -0.010 0.000 1.110 106 M CB -1.001 31.513 32.600 -0.144 0.000 1.374 106 M HN 0.219 nan 8.290 nan 0.000 0.411 107 H N 0.219 119.389 119.070 0.167 0.000 2.321 107 H HA -0.006 4.548 4.556 -0.003 0.000 0.300 107 H C 2.356 177.828 175.328 0.239 0.000 1.087 107 H CA 1.264 57.421 56.048 0.181 0.000 1.319 107 H CB -0.554 29.276 29.762 0.114 0.000 1.379 107 H HN 0.325 nan 8.280 nan 0.000 0.501 108 L N -0.138 121.283 121.223 0.330 0.000 2.043 108 L HA -0.237 4.102 4.340 -0.002 0.000 0.212 108 L C 2.538 179.599 176.870 0.318 0.000 1.075 108 L CA 1.232 56.249 54.840 0.296 0.000 0.752 108 L CB -0.514 41.681 42.059 0.227 0.000 0.891 108 L HN 0.133 nan 8.230 nan 0.000 0.432 109 F N -0.197 119.837 119.950 0.141 0.000 2.043 109 F HA -0.362 4.163 4.527 -0.003 0.000 0.297 109 F C 2.547 178.441 175.800 0.157 0.000 1.121 109 F CA 1.957 60.013 58.000 0.093 0.000 1.199 109 F CB -0.697 38.313 39.000 0.017 0.000 0.968 109 F HN 0.012 nan 8.300 nan 0.000 0.478 110 Y N 1.238 121.639 120.300 0.167 0.000 2.128 110 Y HA -0.275 4.276 4.550 0.001 0.000 0.284 110 Y C 2.632 178.519 175.900 -0.023 0.000 1.154 110 Y CA 2.352 60.487 58.100 0.058 0.000 1.149 110 Y CB -0.869 37.693 38.460 0.170 0.000 0.976 110 Y HN 0.345 nan 8.280 nan 0.000 0.505 111 E N -1.370 118.883 120.200 0.089 0.000 2.118 111 E HA -0.278 4.071 4.350 -0.002 0.000 0.195 111 E C 1.603 178.049 176.600 -0.257 0.000 0.992 111 E CA 1.907 58.263 56.400 -0.073 0.000 0.804 111 E CB -0.126 29.588 29.700 0.024 0.000 0.741 111 E HN 0.682 nan 8.360 nan 0.000 0.458 112 H N -1.123 117.833 119.070 -0.190 0.000 2.476 112 H HA 0.242 4.797 4.556 -0.002 0.000 0.292 112 H C 1.750 176.892 175.328 -0.310 0.000 1.019 112 H CA 0.864 56.786 56.048 -0.210 0.000 1.330 112 H CB -0.063 29.604 29.762 -0.158 0.000 1.451 112 H HN 0.211 nan 8.280 nan 0.000 0.535 113 A N 0.752 123.344 122.820 -0.380 0.000 1.865 113 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 113 A C 2.443 179.818 177.584 -0.347 0.000 1.191 113 A CA 1.986 53.711 52.037 -0.521 0.000 0.623 113 A CB -1.071 17.311 19.000 -1.030 0.000 0.826 113 A HN 0.205 nan 8.150 nan 0.000 0.444 114 V N 0.670 120.336 119.914 -0.414 0.000 2.220 114 V HA -0.245 3.874 4.120 -0.002 0.000 0.250 114 V C 0.146 176.101 176.094 -0.231 0.000 1.056 114 V CA 2.841 64.924 62.300 -0.362 0.000 1.016 114 V CB -1.824 29.666 31.823 -0.555 0.000 0.639 114 V HN 0.388 nan 8.190 nan 0.000 0.446 115 P HA -0.202 nan 4.420 nan 0.000 0.214 115 P C 1.908 179.140 177.300 -0.112 0.000 1.169 115 P CA 1.530 64.540 63.100 -0.149 0.000 0.908 115 P CB -0.178 31.431 31.700 -0.152 0.000 0.791 116 L N -0.300 120.859 121.223 -0.108 0.000 1.990 116 L HA -0.181 4.158 4.340 -0.002 0.000 0.213 116 L C 2.276 179.103 176.870 -0.071 0.000 1.072 116 L CA 2.424 57.219 54.840 -0.074 0.000 0.755 116 L CB -1.662 40.359 42.059 -0.063 0.000 0.889 116 L HN -0.089 nan 8.230 nan 0.000 0.432 117 A N -1.435 121.331 122.820 -0.091 0.000 1.978 117 A HA -0.144 4.175 4.320 -0.002 0.000 0.220 117 A C 2.242 179.791 177.584 -0.058 0.000 1.170 117 A CA 1.972 53.969 52.037 -0.068 0.000 0.636 117 A CB -1.023 17.934 19.000 -0.073 0.000 0.810 117 A HN 0.362 nan 8.150 nan 0.000 0.448 118 V N 0.164 120.036 119.914 -0.071 0.000 2.283 118 V HA -0.220 3.899 4.120 -0.002 0.000 0.243 118 V C 2.334 178.400 176.094 -0.047 0.000 1.039 118 V CA 2.329 64.594 62.300 -0.057 0.000 1.016 118 V CB -0.772 31.011 31.823 -0.067 0.000 0.650 118 V HN 0.712 nan 8.190 nan 0.000 0.449 119 D N 0.147 120.517 120.400 -0.051 0.000 2.123 119 D HA -0.163 4.476 4.640 -0.002 0.000 0.196 119 D C 1.922 178.197 176.300 -0.042 0.000 0.992 119 D CA 1.502 55.477 54.000 -0.042 0.000 0.833 119 D CB -0.051 40.724 40.800 -0.040 0.000 0.954 119 D HN 0.224 nan 8.370 nan 0.000 0.455 120 V N -0.154 119.732 119.914 -0.046 0.000 2.515 120 V HA -0.161 3.958 4.120 -0.002 0.000 0.250 120 V C 2.510 178.576 176.094 -0.046 0.000 1.058 120 V CA 1.673 63.942 62.300 -0.052 0.000 1.064 120 V CB -0.461 31.330 31.823 -0.054 0.000 0.675 120 V HN 0.192 nan 8.190 nan 0.000 0.461 121 S N -0.356 115.322 115.700 -0.037 0.000 2.355 121 S HA -0.175 4.294 4.470 -0.002 0.000 0.222 121 S C 2.006 176.593 174.600 -0.022 0.000 1.031 121 S CA 1.313 59.497 58.200 -0.027 0.000 0.993 121 S CB -0.250 62.936 63.200 -0.023 0.000 0.859 121 S HN 0.544 nan 8.310 nan 0.000 0.453 122 K N 0.999 121.385 120.400 -0.024 0.000 2.074 122 K HA -0.050 4.269 4.320 -0.002 0.000 0.209 122 K C 2.377 178.964 176.600 -0.022 0.000 1.048 122 K CA 1.153 57.428 56.287 -0.019 0.000 0.926 122 K CB -0.128 32.358 32.500 -0.023 0.000 0.713 122 K HN 0.217 nan 8.250 nan 0.000 0.444 123 R N -0.166 120.316 120.500 -0.031 0.000 2.115 123 R HA -0.040 4.299 4.340 -0.002 0.000 0.230 123 R C 2.235 178.514 176.300 -0.036 0.000 1.111 123 R CA 1.020 57.098 56.100 -0.036 0.000 0.976 123 R CB -0.158 30.115 30.300 -0.046 0.000 0.870 123 R HN 0.171 nan 8.270 nan 0.000 0.445 124 A N 0.767 123.567 122.820 -0.034 0.000 2.014 124 A HA -0.024 4.295 4.320 -0.002 0.000 0.218 124 A C 2.024 179.607 177.584 -0.001 0.000 1.163 124 A CA 0.853 52.874 52.037 -0.027 0.000 0.652 124 A CB -0.129 18.853 19.000 -0.030 0.000 0.808 124 A HN 0.153 nan 8.150 nan 0.000 0.449 125 L N -1.333 119.895 121.223 0.008 0.000 2.249 125 L HA 0.040 4.379 4.340 -0.002 0.000 0.207 125 L C 2.960 179.832 176.870 0.004 0.000 1.090 125 L CA 0.623 55.483 54.840 0.033 0.000 0.802 125 L CB -0.435 41.648 42.059 0.041 0.000 0.947 125 L HN 0.372 nan 8.230 nan 0.000 0.453 126 A N 0.779 123.592 122.820 -0.012 0.000 1.954 126 A HA -0.285 4.034 4.320 -0.002 0.000 0.222 126 A C 2.265 179.826 177.584 -0.038 0.000 1.199 126 A CA 2.275 54.297 52.037 -0.024 0.000 0.657 126 A CB -1.384 17.601 19.000 -0.026 0.000 0.823 126 A HN 0.470 nan 8.150 nan 0.000 0.463 127 G N -1.764 107.012 108.800 -0.040 0.000 2.572 127 G HA2 0.308 4.267 3.960 -0.002 0.000 0.216 127 G HA3 0.308 4.267 3.960 -0.002 0.000 0.216 127 G C 0.491 175.335 174.900 -0.093 0.000 1.133 127 G CA 0.215 45.282 45.100 -0.055 0.000 0.791 127 G HN 0.305 nan 8.290 nan 0.000 0.538 128 L N 0.558 121.713 121.223 -0.112 0.000 2.375 128 L HA 0.366 4.705 4.340 -0.002 0.000 0.268 128 L C -1.682 174.986 176.870 -0.336 0.000 1.058 128 L CA -2.174 52.498 54.840 -0.279 0.000 0.803 128 L CB 1.114 43.009 42.059 -0.273 0.000 1.212 128 L HN -0.098 nan 8.230 nan 0.000 0.451 129 P HA 0.136 nan 4.420 nan 0.000 0.243 129 P C -0.866 176.255 177.300 -0.297 0.000 1.672 129 P CA -0.136 62.760 63.100 -0.340 0.000 1.000 129 P CB -0.017 31.514 31.700 -0.282 0.000 1.562 130 Y N 0.387 120.686 120.300 -0.001 0.000 2.310 130 Y HA 0.477 5.026 4.550 -0.002 0.000 0.326 130 Y C 1.323 177.224 175.900 0.001 0.000 1.151 130 Y CA -0.967 57.134 58.100 0.002 0.000 1.195 130 Y CB 0.582 39.046 38.460 0.006 0.000 1.210 130 Y HN -0.139 nan 8.280 nan 0.000 0.483 131 R N 1.177 121.782 120.500 0.175 0.000 2.457 131 R HA 0.568 4.907 4.340 -0.002 0.000 0.284 131 R C 1.010 177.360 176.300 0.083 0.000 1.024 131 R CA 0.284 56.440 56.100 0.092 0.000 1.025 131 R CB 0.825 31.164 30.300 0.065 0.000 1.063 131 R HN 0.840 nan 8.270 nan 0.000 0.493 132 A N 3.297 126.148 122.820 0.052 0.000 2.042 132 A HA -0.239 4.080 4.320 -0.002 0.000 0.222 132 A C 1.865 179.464 177.584 0.026 0.000 1.167 132 A CA 2.260 54.317 52.037 0.035 0.000 0.649 132 A CB -0.970 18.043 19.000 0.020 0.000 0.809 132 A HN 0.800 nan 8.150 nan 0.000 0.457 133 A N -0.513 122.325 122.820 0.029 0.000 2.066 133 A HA -0.051 4.268 4.320 -0.002 0.000 0.218 133 A C 1.764 179.359 177.584 0.019 0.000 1.157 133 A CA 1.258 53.307 52.037 0.020 0.000 0.670 133 A CB -0.321 18.691 19.000 0.021 0.000 0.804 133 A HN 0.668 nan 8.150 nan 0.000 0.453 134 E N -0.467 119.749 120.200 0.027 0.000 2.435 134 E HA 0.090 4.439 4.350 -0.002 0.000 0.195 134 E C -0.331 176.251 176.600 -0.030 0.000 1.029 134 E CA 0.035 56.434 56.400 -0.003 0.000 0.865 134 E CB 0.015 29.715 29.700 -0.000 0.000 0.833 134 E HN 0.633 nan 8.360 nan 0.000 0.510 135 I N 1.264 121.826 120.570 -0.012 0.000 2.281 135 I HA 0.123 4.292 4.170 -0.002 0.000 0.293 135 I C 1.110 177.218 176.117 -0.014 0.000 1.085 135 I CA -0.218 61.070 61.300 -0.020 0.000 1.257 135 I CB 1.219 39.208 38.000 -0.017 0.000 1.430 135 I HN -0.014 nan 8.210 nan 0.000 0.489 136 G N 6.553 115.368 108.800 0.024 0.000 3.126 136 G HA2 0.318 4.277 3.960 -0.002 0.000 0.224 136 G HA3 0.318 4.277 3.960 -0.002 0.000 0.224 136 G C -0.135 174.558 174.900 -0.346 0.000 1.142 136 G CA 0.151 45.240 45.100 -0.019 0.000 0.759 136 G HN 0.409 nan 8.290 nan 0.000 0.550 137 L N 0.247 121.198 121.223 -0.453 0.000 2.493 137 L HA 0.748 5.087 4.340 -0.002 0.000 0.265 137 L C -2.025 174.673 176.870 -0.287 0.000 0.954 137 L CA -1.112 53.377 54.840 -0.585 0.000 0.844 137 L CB 2.381 43.705 42.059 -1.224 0.000 1.302 137 L HN -0.095 nan 8.230 nan 0.000 0.405 138 L N 6.128 127.232 121.223 -0.199 0.000 2.343 138 L HA 0.787 5.126 4.340 -0.002 0.000 0.278 138 L C -1.485 175.335 176.870 -0.084 0.000 0.996 138 L CA -0.342 54.432 54.840 -0.110 0.000 0.831 138 L CB 1.883 43.900 42.059 -0.071 0.000 1.232 138 L HN 0.398 nan 8.230 nan 0.000 0.413 139 V N 6.006 125.884 119.914 -0.060 0.000 2.398 139 V HA 0.509 4.628 4.120 -0.002 0.000 0.286 139 V C -0.536 175.555 176.094 -0.006 0.000 1.026 139 V CA -0.633 61.647 62.300 -0.033 0.000 0.868 139 V CB 1.632 33.438 31.823 -0.029 0.000 0.982 139 V HN 0.642 nan 8.190 nan 0.000 0.443 140 L N 4.923 126.154 121.223 0.014 0.000 2.349 140 L HA 0.886 5.225 4.340 -0.002 0.000 0.278 140 L C -0.185 176.719 176.870 0.057 0.000 0.996 140 L CA -0.224 54.640 54.840 0.041 0.000 0.825 140 L CB 1.315 43.409 42.059 0.058 0.000 1.243 140 L HN 0.785 nan 8.230 nan 0.000 0.412 141 A N 3.761 126.619 122.820 0.064 0.000 2.350 141 A HA 0.936 5.255 4.320 -0.002 0.000 0.324 141 A C -0.583 177.062 177.584 0.101 0.000 1.118 141 A CA -0.280 51.801 52.037 0.074 0.000 0.783 141 A CB 1.476 20.506 19.000 0.050 0.000 1.236 141 A HN 0.776 nan 8.150 nan 0.000 0.457 142 T N 0.259 114.880 114.554 0.112 0.000 2.749 142 T HA 0.524 4.873 4.350 -0.002 0.000 0.310 142 T C 0.097 174.873 174.700 0.126 0.000 1.496 142 T CA -0.239 61.922 62.100 0.102 0.000 1.006 142 T CB 1.701 70.620 68.868 0.085 0.000 1.457 142 T HN 0.516 nan 8.240 nan 0.000 0.497 143 S N 0.074 115.814 115.700 0.068 0.000 2.904 143 S HA 0.135 4.604 4.470 -0.002 0.000 0.260 143 S C 1.171 175.770 174.600 -0.003 0.000 1.000 143 S CA 0.155 58.495 58.200 0.234 0.000 1.274 143 S CB 0.508 63.814 63.200 0.178 0.000 1.196 143 S HN 0.932 nan 8.310 nan 0.000 0.678 144 T N -0.984 113.393 114.554 -0.294 0.000 3.145 144 T HA 0.559 4.908 4.350 -0.002 0.000 0.281 144 T C 0.455 174.560 174.700 -0.992 0.000 1.003 144 T CA 0.062 61.906 62.100 -0.427 0.000 0.901 144 T CB 0.966 69.761 68.868 -0.120 0.000 1.112 144 T HN 0.315 nan 8.240 nan 0.000 0.535 145 G N 0.790 108.648 108.800 -1.569 0.000 2.768 145 G HA2 0.545 4.504 3.960 -0.002 0.000 0.297 145 G HA3 0.545 4.504 3.960 -0.002 0.000 0.297 145 G C -1.949 172.157 174.900 -1.323 0.000 1.430 145 G CA -0.766 43.195 45.100 -1.898 0.000 1.030 145 G HN 0.124 nan 8.290 nan 0.000 0.553 146 F N 1.692 121.403 119.950 -0.399 0.000 2.612 146 F HA 0.688 5.213 4.527 -0.003 0.000 0.332 146 F C -0.346 175.363 175.800 -0.152 0.000 1.167 146 F CA -1.406 56.447 58.000 -0.244 0.000 0.970 146 F CB 1.761 40.605 39.000 -0.260 0.000 1.234 146 F HN 0.486 nan 8.300 nan 0.000 0.453 147 I N 0.707 121.330 120.570 0.089 0.000 2.841 147 I HA 0.962 5.131 4.170 -0.002 0.000 0.298 147 I C -1.007 175.119 176.117 0.015 0.000 1.304 147 I CA -1.851 59.459 61.300 0.017 0.000 1.019 147 I CB 1.772 39.773 38.000 0.002 0.000 1.282 147 I HN 0.569 nan 8.210 nan 0.000 0.432 148 A N 3.056 125.856 122.820 -0.033 0.000 2.465 148 A HA 0.914 5.233 4.320 -0.002 0.000 0.292 148 A C -2.799 174.753 177.584 -0.055 0.000 1.041 148 A CA -1.177 50.844 52.037 -0.027 0.000 0.718 148 A CB 0.173 19.163 19.000 -0.016 0.000 1.266 148 A HN 0.709 nan 8.150 nan 0.000 0.403 149 P HA 0.476 nan 4.420 nan 0.000 0.268 149 P C 0.598 177.879 177.300 -0.031 0.000 1.205 149 P CA 0.327 63.411 63.100 -0.027 0.000 0.771 149 P CB 1.033 32.724 31.700 -0.016 0.000 0.858 150 G N -0.011 108.843 108.800 0.091 0.000 3.119 150 G HA2 0.286 4.245 3.960 -0.002 0.000 0.206 150 G HA3 0.286 4.245 3.960 -0.002 0.000 0.206 150 G C 0.846 175.977 174.900 0.385 0.000 1.313 150 G CA -0.623 44.623 45.100 0.243 0.000 1.010 150 G HN 0.273 nan 8.290 nan 0.000 0.578 151 V N 1.842 121.967 119.914 0.352 0.000 2.392 151 V HA -0.178 3.941 4.120 -0.002 0.000 0.249 151 V C 2.825 178.987 176.094 0.114 0.000 1.059 151 V CA 2.632 65.040 62.300 0.179 0.000 1.051 151 V CB -0.672 31.221 31.823 0.117 0.000 0.658 151 V HN 0.864 nan 8.190 nan 0.000 0.455 152 D N 0.390 120.858 120.400 0.114 0.000 2.104 152 D HA -0.181 4.458 4.640 -0.002 0.000 0.194 152 D C 2.034 178.368 176.300 0.057 0.000 0.994 152 D CA 1.889 55.928 54.000 0.065 0.000 0.830 152 D CB -0.724 40.107 40.800 0.052 0.000 0.959 152 D HN 0.359 nan 8.370 nan 0.000 0.452 153 V N 1.651 121.613 119.914 0.081 0.000 2.358 153 V HA -0.157 3.962 4.120 -0.002 0.000 0.246 153 V C 2.992 179.131 176.094 0.075 0.000 1.047 153 V CA 1.766 64.107 62.300 0.069 0.000 1.035 153 V CB -0.955 30.912 31.823 0.073 0.000 0.658 153 V HN 0.408 nan 8.190 nan 0.000 0.452 154 A N -0.161 122.728 122.820 0.114 0.000 1.978 154 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 154 A C 2.181 179.776 177.584 0.018 0.000 1.170 154 A CA 1.837 53.919 52.037 0.075 0.000 0.636 154 A CB -0.500 18.526 19.000 0.042 0.000 0.810 154 A HN 0.521 nan 8.150 nan 0.000 0.448 155 I N -0.702 119.876 120.570 0.014 0.000 2.163 155 I HA -0.200 3.969 4.170 -0.002 0.000 0.240 155 I C 2.386 178.502 176.117 -0.001 0.000 1.081 155 I CA 1.143 62.440 61.300 -0.004 0.000 1.353 155 I CB -0.492 37.506 38.000 -0.004 0.000 1.054 155 I HN 0.155 nan 8.210 nan 0.000 0.407 156 V N 1.228 121.145 119.914 0.005 0.000 2.231 156 V HA -0.360 3.759 4.120 -0.002 0.000 0.248 156 V C 2.468 178.564 176.094 0.003 0.000 1.054 156 V CA 2.066 64.366 62.300 0.000 0.000 1.015 156 V CB -0.829 30.994 31.823 0.001 0.000 0.638 156 V HN 0.395 nan 8.190 nan 0.000 0.444 157 K N -0.424 119.981 120.400 0.010 0.000 1.991 157 K HA -0.254 4.065 4.320 -0.002 0.000 0.212 157 K C 2.257 178.858 176.600 0.002 0.000 1.049 157 K CA 1.915 58.208 56.287 0.009 0.000 0.932 157 K CB -0.297 32.214 32.500 0.019 0.000 0.717 157 K HN 0.351 nan 8.250 nan 0.000 0.441 158 E N 0.778 120.977 120.200 -0.002 0.000 2.070 158 E HA -0.167 4.182 4.350 -0.002 0.000 0.197 158 E C 1.577 178.170 176.600 -0.011 0.000 1.004 158 E CA 1.168 57.561 56.400 -0.011 0.000 0.805 158 E CB -0.003 29.683 29.700 -0.023 0.000 0.744 158 E HN 0.057 nan 8.360 nan 0.000 0.451 159 L N -1.021 120.196 121.223 -0.010 0.000 2.554 159 L HA 0.240 4.579 4.340 -0.002 0.000 0.226 159 L C 1.283 178.152 176.870 -0.003 0.000 1.137 159 L CA 1.029 55.865 54.840 -0.008 0.000 0.863 159 L CB -0.162 41.892 42.059 -0.007 0.000 0.985 159 L HN 0.304 nan 8.230 nan 0.000 0.451 160 G N -0.022 108.777 108.800 -0.002 0.000 2.225 160 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.264 160 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.264 160 G C 0.246 175.147 174.900 0.001 0.000 1.060 160 G CA 0.069 45.169 45.100 0.000 0.000 0.833 160 G HN 0.252 nan 8.290 nan 0.000 0.498 161 L N 0.342 121.564 121.223 -0.001 0.000 2.453 161 L HA 0.480 4.819 4.340 -0.002 0.000 0.261 161 L C 1.571 178.439 176.870 -0.005 0.000 1.179 161 L CA -0.140 54.699 54.840 -0.003 0.000 0.813 161 L CB 1.119 43.172 42.059 -0.009 0.000 1.110 161 L HN 0.313 nan 8.230 nan 0.000 0.466 162 S N 1.712 117.408 115.700 -0.006 0.000 2.558 162 S HA 0.036 4.505 4.470 -0.002 0.000 0.293 162 S C -1.536 173.057 174.600 -0.011 0.000 1.292 162 S CA -0.912 57.283 58.200 -0.008 0.000 1.063 162 S CB 0.643 63.838 63.200 -0.009 0.000 0.831 162 S HN 0.385 nan 8.310 nan 0.000 0.499 163 P HA -0.032 nan 4.420 nan 0.000 0.222 163 P C 0.839 178.131 177.300 -0.013 0.000 1.147 163 P CA 0.855 63.950 63.100 -0.008 0.000 0.790 163 P CB 0.013 31.710 31.700 -0.005 0.000 0.780 164 S N -2.104 113.586 115.700 -0.016 0.000 2.597 164 S HA 0.171 4.640 4.470 -0.002 0.000 0.224 164 S C 0.699 175.279 174.600 -0.034 0.000 0.955 164 S CA -0.447 57.740 58.200 -0.021 0.000 0.933 164 S CB -0.891 62.299 63.200 -0.017 0.000 0.788 164 S HN -0.001 nan 8.310 nan 0.000 0.488 165 I N 2.715 123.260 120.570 -0.041 0.000 2.815 165 I HA 0.004 4.173 4.170 -0.002 0.000 0.291 165 I C 0.568 176.634 176.117 -0.085 0.000 1.209 165 I CA 0.074 61.333 61.300 -0.067 0.000 1.431 165 I CB 0.527 38.487 38.000 -0.066 0.000 1.351 165 I HN 0.199 nan 8.210 nan 0.000 0.585 166 S N 6.121 121.739 115.700 -0.137 0.000 2.580 166 S HA 0.418 4.887 4.470 -0.002 0.000 0.274 166 S C -0.097 174.420 174.600 -0.138 0.000 1.329 166 S CA -0.490 57.627 58.200 -0.139 0.000 1.036 166 S CB 0.752 63.834 63.200 -0.197 0.000 0.919 166 S HN 0.461 nan 8.310 nan 0.000 0.515 167 R N 1.053 121.498 120.500 -0.092 0.000 2.621 167 R HA 0.609 4.948 4.340 -0.002 0.000 0.284 167 R C -1.838 174.431 176.300 -0.051 0.000 0.998 167 R CA -0.604 55.454 56.100 -0.070 0.000 0.895 167 R CB 1.971 32.246 30.300 -0.041 0.000 1.195 167 R HN 0.382 nan 8.270 nan 0.000 0.450 168 V N 3.185 123.073 119.914 -0.044 0.000 2.524 168 V HA 0.299 4.418 4.120 -0.002 0.000 0.297 168 V C -0.470 175.619 176.094 -0.008 0.000 1.035 168 V CA -0.871 61.414 62.300 -0.025 0.000 0.867 168 V CB 2.099 33.905 31.823 -0.027 0.000 1.004 168 V HN 0.457 nan 8.190 nan 0.000 0.426 169 V N 5.682 125.598 119.914 0.002 0.000 2.333 169 V HA 0.312 4.431 4.120 -0.002 0.000 0.274 169 V C 0.074 176.181 176.094 0.021 0.000 1.028 169 V CA -0.496 61.817 62.300 0.021 0.000 0.851 169 V CB 1.654 33.495 31.823 0.029 0.000 1.000 169 V HN 0.633 nan 8.190 nan 0.000 0.456 170 V N 6.108 126.042 119.914 0.034 0.000 2.339 170 V HA 0.330 4.449 4.120 -0.002 0.000 0.261 170 V C 0.341 176.479 176.094 0.072 0.000 1.058 170 V CA -0.461 61.863 62.300 0.039 0.000 0.897 170 V CB 0.279 32.122 31.823 0.034 0.000 1.052 170 V HN 0.794 nan 8.190 nan 0.000 0.480 171 N N 3.206 121.948 118.700 0.069 0.000 2.466 171 N HA 0.455 5.194 4.740 -0.002 0.000 0.294 171 N C 0.196 175.842 175.510 0.226 0.000 1.129 171 N CA -0.633 52.495 53.050 0.130 0.000 0.931 171 N CB 1.290 39.775 38.487 -0.005 0.000 1.193 171 N HN 0.471 nan 8.380 nan 0.000 0.500 172 F N 0.093 120.103 119.950 0.101 0.000 3.100 172 F HA -0.214 4.313 4.527 0.000 0.000 0.283 172 F C 1.109 176.924 175.800 0.024 0.000 0.900 172 F CA 0.406 58.447 58.000 0.069 0.000 1.010 172 F CB -1.353 37.671 39.000 0.039 0.000 1.029 172 F HN 0.560 nan 8.300 nan 0.000 0.637 173 M N -0.747 118.942 119.600 0.149 0.000 2.419 173 M HA 0.296 4.775 4.480 -0.002 0.000 0.252 173 M C 1.601 177.898 176.300 -0.004 0.000 1.143 173 M CA 0.686 56.017 55.300 0.051 0.000 0.985 173 M CB -0.287 32.337 32.600 0.040 0.000 1.489 173 M HN 0.360 nan 8.290 nan 0.000 0.484 174 G N 0.867 109.658 108.800 -0.016 0.000 2.581 174 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.289 174 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.289 174 G C 0.616 175.462 174.900 -0.090 0.000 1.303 174 G CA 0.007 45.063 45.100 -0.073 0.000 0.931 174 G HN 0.475 nan 8.290 nan 0.000 0.555 175 C N 0.138 119.355 119.300 -0.139 0.000 2.395 175 C HA 0.079 4.538 4.460 -0.002 0.000 0.287 175 C C 3.017 177.823 174.990 -0.306 0.000 1.281 175 C CA 2.003 60.861 59.018 -0.266 0.000 1.818 175 C CB -1.774 25.710 27.740 -0.427 0.000 1.990 175 C HN 1.425 nan 8.230 nan 0.000 0.516 176 A N -0.657 122.051 122.820 -0.185 0.000 2.465 176 A HA 0.610 4.929 4.320 -0.002 0.000 0.255 176 A C 1.972 179.507 177.584 -0.082 0.000 1.274 176 A CA 0.793 52.740 52.037 -0.150 0.000 0.920 176 A CB -0.294 18.622 19.000 -0.139 0.000 1.033 176 A HN 0.443 nan 8.150 nan 0.000 0.516 177 A N 0.377 123.167 122.820 -0.051 0.000 1.940 177 A HA 0.062 4.381 4.320 -0.002 0.000 0.219 177 A C 2.399 179.972 177.584 -0.018 0.000 1.176 177 A CA 1.969 53.996 52.037 -0.016 0.000 0.631 177 A CB -0.801 18.206 19.000 0.012 0.000 0.814 177 A HN 1.162 nan 8.150 nan 0.000 0.446 178 A N -1.001 121.807 122.820 -0.021 0.000 1.948 178 A HA -0.194 4.125 4.320 -0.002 0.000 0.220 178 A C 2.150 179.709 177.584 -0.040 0.000 1.177 178 A CA 2.096 54.120 52.037 -0.020 0.000 0.636 178 A CB -0.456 18.537 19.000 -0.012 0.000 0.815 178 A HN 0.455 nan 8.150 nan 0.000 0.449 179 M N -0.168 119.395 119.600 -0.061 0.000 2.254 179 M HA -0.051 4.428 4.480 -0.002 0.000 0.265 179 M C 1.655 177.919 176.300 -0.060 0.000 1.066 179 M CA 0.924 56.175 55.300 -0.082 0.000 1.123 179 M CB -1.407 31.115 32.600 -0.130 0.000 1.388 179 M HN 0.479 nan 8.290 nan 0.000 0.425 180 N N 0.613 119.287 118.700 -0.044 0.000 2.142 180 N HA -0.059 4.679 4.740 -0.002 0.000 0.186 180 N C 1.754 177.257 175.510 -0.012 0.000 1.023 180 N CA 1.522 54.558 53.050 -0.024 0.000 0.852 180 N CB -0.045 38.435 38.487 -0.012 0.000 0.998 180 N HN 0.282 nan 8.380 nan 0.000 0.424 181 A N 1.755 124.569 122.820 -0.011 0.000 1.858 181 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 181 A C 2.267 179.847 177.584 -0.008 0.000 1.190 181 A CA 1.016 53.050 52.037 -0.006 0.000 0.617 181 A CB -0.871 18.127 19.000 -0.003 0.000 0.827 181 A HN 0.220 nan 8.150 nan 0.000 0.443 182 L N 0.218 121.430 121.223 -0.017 0.000 2.079 182 L HA -0.082 4.257 4.340 -0.002 0.000 0.210 182 L C 2.344 179.212 176.870 -0.004 0.000 1.081 182 L CA 2.288 57.118 54.840 -0.017 0.000 0.752 182 L CB -0.878 41.159 42.059 -0.037 0.000 0.896 182 L HN 0.320 nan 8.230 nan 0.000 0.433 183 G N -2.248 106.547 108.800 -0.007 0.000 2.408 183 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.217 183 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.217 183 G C 1.454 176.369 174.900 0.025 0.000 1.150 183 G CA 1.039 46.142 45.100 0.006 0.000 0.776 183 G HN 0.417 nan 8.290 nan 0.000 0.542 184 T N 1.397 115.966 114.554 0.024 0.000 2.867 184 T HA 0.072 4.421 4.350 -0.002 0.000 0.268 184 T C 2.745 177.489 174.700 0.072 0.000 1.057 184 T CA 1.334 63.458 62.100 0.041 0.000 1.136 184 T CB -0.186 68.694 68.868 0.020 0.000 0.874 184 T HN 0.365 nan 8.240 nan 0.000 0.466 185 A N 1.740 124.594 122.820 0.056 0.000 1.898 185 A HA -0.061 4.258 4.320 -0.002 0.000 0.214 185 A C 2.630 180.288 177.584 0.123 0.000 1.183 185 A CA 1.913 54.005 52.037 0.091 0.000 0.622 185 A CB -1.113 17.913 19.000 0.044 0.000 0.824 185 A HN 0.599 nan 8.150 nan 0.000 0.444 186 T N -1.421 113.174 114.554 0.069 0.000 2.821 186 T HA -0.159 4.190 4.350 -0.002 0.000 0.267 186 T C 1.687 176.415 174.700 0.046 0.000 1.046 186 T CA 1.381 63.511 62.100 0.049 0.000 1.139 186 T CB -0.573 68.312 68.868 0.027 0.000 0.871 186 T HN 0.364 nan 8.240 nan 0.000 0.454 187 N N 0.892 119.628 118.700 0.059 0.000 2.043 187 N HA -0.098 4.641 4.740 -0.002 0.000 0.193 187 N C 1.531 177.072 175.510 0.053 0.000 1.037 187 N CA 1.634 54.711 53.050 0.045 0.000 0.851 187 N CB -0.837 37.683 38.487 0.056 0.000 1.027 187 N HN 0.553 nan 8.380 nan 0.000 0.422 188 Y N 2.171 122.485 120.300 0.024 0.000 2.014 188 Y HA -0.224 4.326 4.550 -0.001 0.000 0.270 188 Y C 2.414 178.359 175.900 0.076 0.000 1.145 188 Y CA 1.464 59.613 58.100 0.082 0.000 1.106 188 Y CB -0.853 37.654 38.460 0.078 0.000 0.968 188 Y HN -0.171 nan 8.280 nan 0.000 0.484 189 V N 1.267 121.141 119.914 -0.067 0.000 2.636 189 V HA -0.347 3.772 4.120 -0.002 0.000 0.258 189 V C 2.475 178.466 176.094 -0.173 0.000 1.092 189 V CA 2.370 64.579 62.300 -0.152 0.000 1.110 189 V CB -0.598 31.231 31.823 0.010 0.000 0.685 189 V HN 0.425 nan 8.190 nan 0.000 0.481 190 R N -1.059 119.358 120.500 -0.138 0.000 2.200 190 R HA 0.099 4.438 4.340 -0.002 0.000 0.208 190 R C 2.118 178.287 176.300 -0.218 0.000 1.033 190 R CA 1.009 57.029 56.100 -0.133 0.000 1.000 190 R CB -0.147 30.106 30.300 -0.077 0.000 0.906 190 R HN 0.524 nan 8.270 nan 0.000 0.462 191 A N -0.168 122.441 122.820 -0.352 0.000 2.147 191 A HA 0.014 4.333 4.320 -0.002 0.000 0.211 191 A C -0.034 176.994 177.584 -0.927 0.000 1.160 191 A CA 0.598 52.284 52.037 -0.585 0.000 0.781 191 A CB 0.087 18.703 19.000 -0.640 0.000 0.842 191 A HN 0.316 nan 8.150 nan 0.000 0.475 192 H N -1.717 117.139 119.070 -0.357 0.000 2.490 192 H HA 0.265 4.820 4.556 -0.001 0.000 0.230 192 H C -2.379 172.769 175.328 -0.299 0.000 1.417 192 H CA -1.409 54.425 56.048 -0.355 0.000 1.449 192 H CB 0.722 30.156 29.762 -0.547 0.000 1.649 192 H HN 0.123 nan 8.280 nan 0.000 0.519 193 P HA -0.244 nan 4.420 nan 0.000 0.217 193 P C 1.457 178.717 177.300 -0.066 0.000 1.151 193 P CA 1.736 64.781 63.100 -0.092 0.000 0.849 193 P CB 0.332 31.989 31.700 -0.071 0.000 0.787 194 A N -2.585 120.207 122.820 -0.046 0.000 2.206 194 A HA 0.024 4.343 4.320 -0.002 0.000 0.211 194 A C 1.069 178.626 177.584 -0.045 0.000 1.158 194 A CA 0.904 52.922 52.037 -0.032 0.000 0.761 194 A CB -0.743 18.251 19.000 -0.011 0.000 0.801 194 A HN 0.061 nan 8.150 nan 0.000 0.473 195 M N -0.221 119.346 119.600 -0.056 0.000 2.613 195 M HA 0.489 4.968 4.480 -0.002 0.000 0.301 195 M C -0.211 176.070 176.300 -0.031 0.000 1.205 195 M CA -0.348 54.940 55.300 -0.020 0.000 0.950 195 M CB 1.027 33.651 32.600 0.040 0.000 1.585 195 M HN -0.061 nan 8.290 nan 0.000 0.490 196 K N 0.433 120.836 120.400 0.006 0.000 2.395 196 K HA 0.882 5.201 4.320 -0.002 0.000 0.247 196 K C -1.282 175.372 176.600 0.089 0.000 0.973 196 K CA -0.722 55.529 56.287 -0.061 0.000 0.828 196 K CB 2.235 34.544 32.500 -0.318 0.000 1.272 196 K HN 0.754 nan 8.250 nan 0.000 0.439 197 A N 1.350 124.203 122.820 0.055 0.000 2.414 197 A HA 0.660 4.979 4.320 -0.002 0.000 0.306 197 A C -1.566 176.006 177.584 -0.021 0.000 1.054 197 A CA -0.676 51.371 52.037 0.017 0.000 0.724 197 A CB 1.147 20.200 19.000 0.089 0.000 1.267 197 A HN 0.491 nan 8.150 nan 0.000 0.418 198 L N 2.948 124.142 121.223 -0.048 0.000 2.305 198 L HA 0.685 5.024 4.340 -0.002 0.000 0.284 198 L C -1.067 175.782 176.870 -0.035 0.000 1.013 198 L CA -0.283 54.538 54.840 -0.033 0.000 0.819 198 L CB 1.606 43.647 42.059 -0.030 0.000 1.227 198 L HN 0.407 nan 8.230 nan 0.000 0.417 199 V N 6.052 125.952 119.914 -0.024 0.000 2.370 199 V HA 0.579 4.698 4.120 -0.002 0.000 0.283 199 V C -0.424 175.662 176.094 -0.013 0.000 1.023 199 V CA -0.595 61.693 62.300 -0.019 0.000 0.857 199 V CB 1.678 33.491 31.823 -0.018 0.000 0.985 199 V HN 0.530 nan 8.190 nan 0.000 0.443 200 V N 3.989 123.901 119.914 -0.003 0.000 2.531 200 V HA 0.458 4.577 4.120 -0.002 0.000 0.301 200 V C -0.361 175.749 176.094 0.027 0.000 1.034 200 V CA -0.445 61.859 62.300 0.006 0.000 0.865 200 V CB 1.863 33.690 31.823 0.006 0.000 0.995 200 V HN 0.961 nan 8.190 nan 0.000 0.424 201 C N 6.362 125.682 119.300 0.033 0.000 2.379 201 C HA 0.786 5.245 4.460 -0.002 0.000 0.323 201 C C -0.155 174.878 174.990 0.070 0.000 1.262 201 C CA -0.743 58.309 59.018 0.056 0.000 1.581 201 C CB 0.303 28.075 27.740 0.053 0.000 2.221 201 C HN 0.807 nan 8.230 nan 0.000 0.497 202 I N 1.008 121.641 120.570 0.105 0.000 2.512 202 I HA 0.665 4.834 4.170 -0.002 0.000 0.287 202 I C -0.853 175.380 176.117 0.192 0.000 1.069 202 I CA -0.459 60.910 61.300 0.115 0.000 1.056 202 I CB 1.627 39.679 38.000 0.088 0.000 1.229 202 I HN 0.373 nan 8.210 nan 0.000 0.429 203 E N 5.183 125.471 120.200 0.147 0.000 2.241 203 E HA 0.634 4.983 4.350 -0.002 0.000 0.263 203 E C -1.509 175.186 176.600 0.158 0.000 0.882 203 E CA -0.435 56.058 56.400 0.154 0.000 0.769 203 E CB 2.012 31.746 29.700 0.057 0.000 1.185 203 E HN 0.546 nan 8.360 nan 0.000 0.415 204 L N 5.303 126.676 121.223 0.250 0.000 2.529 204 L HA 0.308 4.647 4.340 -0.002 0.000 0.246 204 L C 0.127 177.072 176.870 0.125 0.000 1.394 204 L CA -0.202 54.740 54.840 0.169 0.000 0.906 204 L CB 0.099 42.248 42.059 0.151 0.000 1.170 204 L HN 0.654 nan 8.230 nan 0.000 0.501 205 F N 1.222 121.160 119.950 -0.020 0.000 2.161 205 F HA -0.248 4.278 4.527 -0.001 0.000 0.300 205 F C 2.457 178.219 175.800 -0.063 0.000 1.089 205 F CA 1.916 59.876 58.000 -0.067 0.000 1.282 205 F CB 0.233 39.194 39.000 -0.065 0.000 1.010 205 F HN 0.530 nan 8.300 nan 0.000 0.485 206 S N -0.493 115.152 115.700 -0.090 0.000 2.392 206 S HA -0.250 4.219 4.470 -0.002 0.000 0.232 206 S C 2.059 176.472 174.600 -0.311 0.000 1.041 206 S CA 1.580 59.659 58.200 -0.202 0.000 1.026 206 S CB -1.558 61.565 63.200 -0.129 0.000 0.845 206 S HN 0.228 nan 8.310 nan 0.000 0.465 207 V N 2.481 122.264 119.914 -0.218 0.000 2.867 207 V HA -0.078 4.041 4.120 -0.002 0.000 0.260 207 V C 1.441 177.508 176.094 -0.046 0.000 1.099 207 V CA 1.928 64.182 62.300 -0.077 0.000 1.122 207 V CB -1.035 30.805 31.823 0.028 0.000 0.708 207 V HN 0.583 nan 8.190 nan 0.000 0.490 208 N N -0.155 118.336 118.700 -0.347 0.000 2.236 208 N HA 0.300 5.039 4.740 -0.002 0.000 0.196 208 N C 0.518 175.741 175.510 -0.478 0.000 1.114 208 N CA 0.456 53.265 53.050 -0.402 0.000 0.859 208 N CB 0.220 38.379 38.487 -0.547 0.000 0.982 208 N HN 0.381 nan 8.380 nan 0.000 0.493 209 A N 0.282 122.801 122.820 -0.501 0.000 2.566 209 A HA 0.119 4.438 4.320 -0.002 0.000 0.245 209 A C 0.982 178.561 177.584 -0.009 0.000 1.056 209 A CA 0.334 52.163 52.037 -0.347 0.000 0.757 209 A CB 0.227 19.044 19.000 -0.305 0.000 0.979 209 A HN 0.115 nan 8.150 nan 0.000 0.508 210 V N 2.339 122.322 119.914 0.115 0.000 3.350 210 V HA 0.139 4.258 4.120 -0.002 0.000 0.246 210 V C -0.115 176.003 176.094 0.041 0.000 1.363 210 V CA 0.221 62.558 62.300 0.062 0.000 1.162 210 V CB -0.696 31.153 31.823 0.044 0.000 0.947 210 V HN 0.977 nan 8.190 nan 0.000 0.454 211 F N 0.801 120.654 119.950 -0.162 0.000 2.807 211 F HA -0.140 4.386 4.527 -0.001 0.000 0.297 211 F C 0.666 176.370 175.800 -0.159 0.000 1.024 211 F CA 0.257 58.080 58.000 -0.295 0.000 1.008 211 F CB -1.637 37.342 39.000 -0.034 0.000 1.142 211 F HN 0.229 nan 8.300 nan 0.000 0.829 212 A N 0.174 122.956 122.820 -0.064 0.000 2.242 212 A HA 0.581 4.900 4.320 -0.002 0.000 0.304 212 A C 1.189 178.788 177.584 0.025 0.000 1.100 212 A CA -0.017 52.028 52.037 0.013 0.000 0.860 212 A CB 0.434 19.448 19.000 0.023 0.000 1.168 212 A HN 0.299 nan 8.150 nan 0.000 0.503 213 D N 0.375 120.796 120.400 0.036 0.000 2.097 213 D HA -0.078 4.561 4.640 -0.002 0.000 0.195 213 D C 0.551 176.874 176.300 0.037 0.000 0.989 213 D CA 1.703 55.724 54.000 0.036 0.000 0.827 213 D CB -0.217 40.602 40.800 0.033 0.000 0.966 213 D HN 0.768 nan 8.370 nan 0.000 0.456 214 D N 0.629 121.053 120.400 0.039 0.000 2.443 214 D HA -0.120 4.519 4.640 -0.002 0.000 0.234 214 D C 1.164 177.490 176.300 0.044 0.000 1.172 214 D CA -0.121 53.903 54.000 0.041 0.000 0.878 214 D CB 1.048 41.876 40.800 0.046 0.000 1.204 214 D HN 0.003 nan 8.370 nan 0.000 0.453 215 I N 1.512 122.106 120.570 0.039 0.000 2.286 215 I HA -0.261 3.908 4.170 -0.002 0.000 0.248 215 I C 2.408 178.549 176.117 0.039 0.000 1.115 215 I CA 0.926 62.249 61.300 0.038 0.000 1.392 215 I CB -1.040 36.976 38.000 0.026 0.000 1.065 215 I HN 0.549 nan 8.210 nan 0.000 0.418 216 N N 0.786 119.510 118.700 0.041 0.000 2.166 216 N HA -0.253 4.486 4.740 -0.002 0.000 0.186 216 N C 1.661 177.215 175.510 0.072 0.000 1.019 216 N CA 1.837 54.913 53.050 0.042 0.000 0.856 216 N CB -0.083 38.434 38.487 0.049 0.000 0.993 216 N HN 0.418 nan 8.380 nan 0.000 0.426 217 D N -0.346 120.113 120.400 0.098 0.000 2.144 217 D HA -0.077 4.562 4.640 -0.002 0.000 0.200 217 D C 2.067 178.457 176.300 0.149 0.000 0.978 217 D CA 0.781 54.876 54.000 0.158 0.000 0.833 217 D CB 0.280 41.117 40.800 0.062 0.000 0.961 217 D HN 0.042 nan 8.370 nan 0.000 0.470 218 V N -0.186 119.785 119.914 0.095 0.000 2.261 218 V HA -0.233 3.886 4.120 -0.002 0.000 0.246 218 V C 2.519 178.674 176.094 0.102 0.000 1.047 218 V CA 1.323 63.707 62.300 0.141 0.000 1.015 218 V CB -0.639 31.260 31.823 0.127 0.000 0.642 218 V HN 0.139 nan 8.190 nan 0.000 0.446 219 V N -0.174 119.750 119.914 0.018 0.000 2.220 219 V HA -0.300 3.819 4.120 -0.002 0.000 0.246 219 V C 2.312 178.281 176.094 -0.207 0.000 1.049 219 V CA 2.400 64.644 62.300 -0.093 0.000 1.003 219 V CB -0.675 31.094 31.823 -0.090 0.000 0.634 219 V HN 0.387 nan 8.190 nan 0.000 0.444 220 I N -0.308 120.145 120.570 -0.194 0.000 2.143 220 I HA -0.325 3.844 4.170 -0.002 0.000 0.245 220 I C 2.420 178.226 176.117 -0.518 0.000 1.068 220 I CA 1.972 63.008 61.300 -0.439 0.000 1.326 220 I CB -0.730 37.209 38.000 -0.102 0.000 1.028 220 I HN 0.414 nan 8.210 nan 0.000 0.412 221 H N -1.004 117.946 119.070 -0.201 0.000 2.521 221 H HA -0.007 4.548 4.556 -0.002 0.000 0.286 221 H C 2.234 177.544 175.328 -0.030 0.000 1.034 221 H CA 1.270 57.313 56.048 -0.010 0.000 1.278 221 H CB 0.078 29.947 29.762 0.178 0.000 1.386 221 H HN 0.439 nan 8.280 nan 0.000 0.567 222 S N -0.222 115.380 115.700 -0.163 0.000 2.548 222 S HA 0.085 4.554 4.470 -0.002 0.000 0.215 222 S C 1.812 176.157 174.600 -0.424 0.000 0.976 222 S CA -0.127 57.749 58.200 -0.541 0.000 0.908 222 S CB 0.023 62.557 63.200 -1.110 0.000 0.781 222 S HN 0.241 nan 8.310 nan 0.000 0.519 223 L N -0.785 120.168 121.223 -0.449 0.000 2.445 223 L HA 0.443 4.782 4.340 -0.002 0.000 0.207 223 L C -0.139 176.531 176.870 -0.333 0.000 1.053 223 L CA 0.021 54.588 54.840 -0.456 0.000 0.841 223 L CB -0.102 41.565 42.059 -0.655 0.000 1.074 223 L HN 0.222 nan 8.230 nan 0.000 0.479 224 F N 0.956 120.743 119.950 -0.273 0.000 2.443 224 F HA 0.471 4.997 4.527 -0.001 0.000 0.353 224 F C 0.982 176.750 175.800 -0.054 0.000 1.101 224 F CA -0.867 56.984 58.000 -0.247 0.000 1.226 224 F CB 0.323 38.956 39.000 -0.612 0.000 1.140 224 F HN -0.188 nan 8.300 nan 0.000 0.557 225 G N 1.306 110.238 108.800 0.220 0.000 2.685 225 G HA2 0.533 4.492 3.960 -0.002 0.000 0.298 225 G HA3 0.533 4.492 3.960 -0.002 0.000 0.298 225 G C -1.584 173.396 174.900 0.133 0.000 1.277 225 G CA -0.798 44.397 45.100 0.159 0.000 0.986 225 G HN 0.393 nan 8.290 nan 0.000 0.487 226 D N -0.921 119.541 120.400 0.103 0.000 2.181 226 D HA 0.705 5.344 4.640 -0.002 0.000 0.248 226 D C 0.452 176.774 176.300 0.036 0.000 1.020 226 D CA 0.335 54.377 54.000 0.071 0.000 0.891 226 D CB 1.786 42.618 40.800 0.053 0.000 1.187 226 D HN 0.783 nan 8.370 nan 0.000 0.443 227 G N -1.095 107.723 108.800 0.029 0.000 2.368 227 G HA2 0.468 4.427 3.960 -0.002 0.000 0.293 227 G HA3 0.468 4.427 3.960 -0.002 0.000 0.293 227 G C -1.742 173.204 174.900 0.077 0.000 1.467 227 G CA -0.538 44.583 45.100 0.035 0.000 0.804 227 G HN 0.659 nan 8.290 nan 0.000 0.535 228 C N -0.214 119.168 119.300 0.136 0.000 3.086 228 C HA 1.041 5.500 4.460 -0.002 0.000 0.311 228 C C -0.316 174.736 174.990 0.103 0.000 1.260 228 C CA 0.700 59.774 59.018 0.094 0.000 1.426 228 C CB 0.767 28.523 27.740 0.026 0.000 1.826 228 C HN 2.282 nan 8.230 nan 0.000 0.474 229 A N 2.380 125.227 122.820 0.046 0.000 2.574 229 A HA 0.985 5.304 4.320 -0.002 0.000 0.297 229 A C -0.993 176.571 177.584 -0.033 0.000 1.062 229 A CA 0.219 52.238 52.037 -0.029 0.000 0.686 229 A CB 1.287 20.288 19.000 0.002 0.000 1.285 229 A HN 2.367 nan 8.150 nan 0.000 0.403 230 A N 0.841 123.623 122.820 -0.063 0.000 2.515 230 A HA 0.897 5.216 4.320 -0.002 0.000 0.296 230 A C -1.340 176.212 177.584 -0.053 0.000 1.094 230 A CA -0.473 51.537 52.037 -0.045 0.000 0.718 230 A CB 1.152 20.128 19.000 -0.039 0.000 1.307 230 A HN 1.074 nan 8.150 nan 0.000 0.408 231 L N 0.603 121.803 121.223 -0.037 0.000 2.409 231 L HA 0.657 4.996 4.340 -0.002 0.000 0.262 231 L C -1.182 175.679 176.870 -0.015 0.000 0.992 231 L CA -1.073 53.746 54.840 -0.035 0.000 0.817 231 L CB 2.382 44.416 42.059 -0.041 0.000 1.350 231 L HN 0.419 nan 8.230 nan 0.000 0.411 232 V N 3.215 123.128 119.914 -0.001 0.000 2.376 232 V HA 0.432 4.551 4.120 -0.002 0.000 0.287 232 V C -0.365 175.738 176.094 0.014 0.000 1.015 232 V CA -0.311 62.000 62.300 0.018 0.000 0.834 232 V CB 1.636 33.501 31.823 0.070 0.000 1.001 232 V HN 0.395 nan 8.190 nan 0.000 0.428 233 I N 3.872 124.442 120.570 0.000 0.000 2.437 233 I HA 0.859 5.028 4.170 -0.002 0.000 0.298 233 I C 0.752 176.859 176.117 -0.017 0.000 0.984 233 I CA 0.213 61.515 61.300 0.004 0.000 1.214 233 I CB 1.876 39.887 38.000 0.019 0.000 1.365 233 I HN 0.684 nan 8.210 nan 0.000 0.469 234 G N 2.827 111.617 108.800 -0.016 0.000 2.690 234 G HA2 0.795 4.754 3.960 -0.002 0.000 0.291 234 G HA3 0.795 4.754 3.960 -0.002 0.000 0.291 234 G C -1.625 173.263 174.900 -0.021 0.000 1.403 234 G CA -0.669 44.404 45.100 -0.045 0.000 0.864 234 G HN 0.782 nan 8.290 nan 0.000 0.480 235 A N -0.198 122.602 122.820 -0.034 0.000 2.264 235 A HA 0.892 5.211 4.320 -0.002 0.000 0.304 235 A C 0.246 177.822 177.584 -0.012 0.000 1.100 235 A CA -0.279 51.742 52.037 -0.027 0.000 0.839 235 A CB 1.475 20.445 19.000 -0.049 0.000 1.121 235 A HN 1.539 nan 8.150 nan 0.000 0.496 236 S N -0.683 115.013 115.700 -0.007 0.000 2.537 236 S HA 0.342 4.811 4.470 -0.002 0.000 0.270 236 S C -1.228 173.370 174.600 -0.002 0.000 1.142 236 S CA -0.588 57.613 58.200 0.002 0.000 0.870 236 S CB 1.197 64.405 63.200 0.013 0.000 1.112 236 S HN 0.715 nan 8.310 nan 0.000 0.466 237 Q N 2.465 122.265 119.800 -0.001 0.000 2.289 237 Q HA 0.137 4.476 4.340 -0.002 0.000 0.273 237 Q C 1.402 177.401 176.000 -0.002 0.000 1.029 237 Q CA -0.159 55.642 55.803 -0.004 0.000 0.896 237 Q CB 0.875 29.612 28.738 -0.003 0.000 1.182 237 Q HN 0.642 nan 8.270 nan 0.000 0.385 238 V N 3.197 123.108 119.914 -0.005 0.000 2.357 238 V HA -0.392 3.727 4.120 -0.002 0.000 0.257 238 V C 1.918 178.010 176.094 -0.002 0.000 1.082 238 V CA 2.175 64.472 62.300 -0.004 0.000 1.078 238 V CB -0.612 31.207 31.823 -0.007 0.000 0.663 238 V HN 0.789 nan 8.190 nan 0.000 0.455 239 Q N -0.038 119.760 119.800 -0.003 0.000 1.890 239 Q HA -0.099 4.239 4.340 -0.002 0.000 0.208 239 Q C 1.140 177.141 176.000 0.001 0.000 0.982 239 Q CA 0.849 56.651 55.803 -0.002 0.000 0.856 239 Q CB -0.237 28.500 28.738 -0.002 0.000 0.915 239 Q HN 0.716 nan 8.270 nan 0.000 0.427 240 E N 1.566 121.767 120.200 0.003 0.000 3.699 240 E HA -0.226 4.123 4.350 -0.002 0.000 0.324 240 E C -1.041 175.563 176.600 0.007 0.000 0.801 240 E CA 0.588 56.992 56.400 0.006 0.000 1.045 240 E CB 0.344 30.050 29.700 0.010 0.000 1.006 240 E HN 0.072 nan 8.360 nan 0.000 0.519 241 K N 5.117 125.522 120.400 0.007 0.000 2.268 241 K HA 0.235 4.554 4.320 -0.002 0.000 0.276 241 K C -0.299 176.307 176.600 0.010 0.000 1.080 241 K CA -0.393 55.898 56.287 0.007 0.000 0.910 241 K CB 0.552 33.054 32.500 0.005 0.000 1.163 241 K HN 0.377 nan 8.250 nan 0.000 0.465 242 L N 3.225 124.456 121.223 0.012 0.000 2.417 242 L HA 0.096 4.435 4.340 -0.002 0.000 0.268 242 L C 0.973 177.850 176.870 0.012 0.000 1.158 242 L CA -0.304 54.545 54.840 0.015 0.000 0.819 242 L CB 0.275 42.346 42.059 0.019 0.000 1.112 242 L HN 0.606 nan 8.230 nan 0.000 0.458 243 E N 2.048 122.254 120.200 0.011 0.000 2.349 243 E HA 0.344 4.693 4.350 -0.002 0.000 0.265 243 E C -2.500 174.105 176.600 0.008 0.000 1.064 243 E CA -2.125 54.278 56.400 0.006 0.000 0.886 243 E CB -0.031 29.670 29.700 0.001 0.000 1.036 243 E HN 0.269 nan 8.360 nan 0.000 0.413 244 P HA -0.101 nan 4.420 nan 0.000 0.269 244 P C 0.809 178.113 177.300 0.006 0.000 1.200 244 P CA 1.663 64.768 63.100 0.008 0.000 0.779 244 P CB 0.280 31.983 31.700 0.005 0.000 0.841 245 G N 0.041 108.846 108.800 0.009 0.000 2.363 245 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.238 245 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.238 245 G C 0.136 175.039 174.900 0.005 0.000 1.062 245 G CA 0.272 45.374 45.100 0.003 0.000 0.629 245 G HN 0.560 nan 8.290 nan 0.000 0.514 246 K N 0.848 121.254 120.400 0.011 0.000 2.451 246 K HA 0.489 4.808 4.320 -0.002 0.000 0.280 246 K C 0.245 176.858 176.600 0.023 0.000 1.020 246 K CA 0.249 56.545 56.287 0.015 0.000 1.008 246 K CB 1.228 33.741 32.500 0.022 0.000 0.917 246 K HN 0.279 nan 8.250 nan 0.000 0.478 247 V N 4.560 124.482 119.914 0.013 0.000 2.357 247 V HA 0.214 4.333 4.120 -0.002 0.000 0.284 247 V C -0.429 175.690 176.094 0.041 0.000 1.018 247 V CA -1.045 61.271 62.300 0.027 0.000 0.841 247 V CB 1.569 33.362 31.823 -0.050 0.000 0.991 247 V HN 0.401 nan 8.190 nan 0.000 0.437 248 V N 6.061 126.021 119.914 0.078 0.000 2.408 248 V HA 0.176 4.295 4.120 -0.002 0.000 0.267 248 V C 0.336 176.493 176.094 0.106 0.000 1.047 248 V CA -0.385 61.957 62.300 0.070 0.000 0.937 248 V CB 1.562 33.419 31.823 0.057 0.000 0.999 248 V HN 0.640 nan 8.190 nan 0.000 0.472 249 V N 7.669 127.629 119.914 0.076 0.000 2.352 249 V HA 0.171 4.290 4.120 -0.002 0.000 0.253 249 V C 1.485 177.628 176.094 0.083 0.000 1.083 249 V CA 0.053 62.408 62.300 0.092 0.000 0.993 249 V CB -0.239 31.612 31.823 0.046 0.000 1.111 249 V HN 0.811 nan 8.190 nan 0.000 0.490 250 R N 2.004 122.564 120.500 0.099 0.000 2.075 250 R HA 0.050 4.389 4.340 -0.002 0.000 0.232 250 R C 0.862 177.205 176.300 0.071 0.000 1.126 250 R CA 1.096 57.235 56.100 0.066 0.000 0.963 250 R CB 0.117 30.444 30.300 0.045 0.000 0.858 250 R HN 0.605 nan 8.270 nan 0.000 0.435 251 S N -0.501 115.262 115.700 0.105 0.000 2.543 251 S HA 0.306 4.775 4.470 -0.002 0.000 0.274 251 S C -1.384 173.316 174.600 0.168 0.000 1.149 251 S CA -0.824 57.450 58.200 0.124 0.000 0.866 251 S CB 1.619 64.897 63.200 0.131 0.000 1.111 251 S HN 0.226 nan 8.310 nan 0.000 0.457 252 S N 2.414 118.198 115.700 0.141 0.000 2.600 252 S HA 0.980 5.449 4.470 -0.002 0.000 0.300 252 S C -0.850 173.851 174.600 0.168 0.000 1.087 252 S CA -0.730 57.508 58.200 0.064 0.000 0.965 252 S CB 1.294 64.488 63.200 -0.010 0.000 1.089 252 S HN 1.239 nan 8.310 nan 0.000 0.496 253 F N -1.805 118.177 119.950 0.054 0.000 2.686 253 F HA 0.894 5.420 4.527 -0.001 0.000 0.311 253 F C -0.901 174.919 175.800 0.034 0.000 1.128 253 F CA -0.877 57.148 58.000 0.043 0.000 0.946 253 F CB 1.192 40.221 39.000 0.048 0.000 1.336 253 F HN 0.597 nan 8.300 nan 0.000 0.457 254 S N 0.857 116.711 115.700 0.257 0.000 2.569 254 S HA 0.729 5.198 4.470 -0.002 0.000 0.280 254 S C -1.747 172.957 174.600 0.174 0.000 1.111 254 S CA -0.736 57.552 58.200 0.147 0.000 0.887 254 S CB 2.115 65.354 63.200 0.065 0.000 1.095 254 S HN 0.632 nan 8.310 nan 0.000 0.476 255 Q N 1.847 121.724 119.800 0.128 0.000 2.371 255 Q HA 0.294 4.633 4.340 -0.002 0.000 0.244 255 Q C -1.773 174.262 176.000 0.059 0.000 0.882 255 Q CA -0.119 55.739 55.803 0.092 0.000 0.866 255 Q CB 1.866 30.664 28.738 0.100 0.000 1.399 255 Q HN 0.744 nan 8.270 nan 0.000 0.432 256 L N 4.750 125.991 121.223 0.030 0.000 2.278 256 L HA 0.414 4.753 4.340 -0.002 0.000 0.287 256 L C -0.495 176.366 176.870 -0.014 0.000 1.072 256 L CA -0.377 54.467 54.840 0.006 0.000 0.819 256 L CB 0.456 42.514 42.059 -0.002 0.000 1.176 256 L HN 0.553 nan 8.230 nan 0.000 0.435 257 L N 4.792 125.993 121.223 -0.036 0.000 2.319 257 L HA 0.210 4.549 4.340 -0.002 0.000 0.280 257 L C 0.283 177.087 176.870 -0.110 0.000 1.099 257 L CA -0.697 54.101 54.840 -0.071 0.000 0.828 257 L CB 0.611 42.611 42.059 -0.097 0.000 1.150 257 L HN 0.526 nan 8.230 nan 0.000 0.442 258 D N 3.879 124.229 120.400 -0.084 0.000 2.472 258 D HA -0.084 4.555 4.640 -0.002 0.000 0.237 258 D C 0.266 176.492 176.300 -0.123 0.000 1.141 258 D CA 0.428 54.380 54.000 -0.080 0.000 0.875 258 D CB 0.327 41.098 40.800 -0.048 0.000 1.192 258 D HN 0.493 nan 8.370 nan 0.000 0.450 259 N N 1.569 120.206 118.700 -0.106 0.000 2.652 259 N HA -0.191 4.548 4.740 -0.002 0.000 0.281 259 N C 0.539 175.893 175.510 -0.261 0.000 1.084 259 N CA 1.055 54.037 53.050 -0.113 0.000 0.775 259 N CB -0.810 37.651 38.487 -0.043 0.000 0.923 259 N HN 0.631 nan 8.380 nan 0.000 0.558 260 T N -4.675 109.656 114.554 -0.372 0.000 3.191 260 T HA 0.109 4.458 4.350 -0.002 0.000 0.285 260 T C 1.098 175.571 174.700 -0.379 0.000 0.887 260 T CA -0.220 61.394 62.100 -0.811 0.000 0.881 260 T CB 0.382 68.627 68.868 -1.038 0.000 1.217 260 T HN 0.175 nan 8.240 nan 0.000 0.591 261 E N 2.307 122.399 120.200 -0.179 0.000 2.200 261 E HA -0.298 4.051 4.350 -0.002 0.000 0.211 261 E C 1.666 178.253 176.600 -0.021 0.000 1.048 261 E CA 2.044 58.398 56.400 -0.077 0.000 0.851 261 E CB -0.179 29.495 29.700 -0.044 0.000 0.747 261 E HN 0.811 nan 8.360 nan 0.000 0.462 262 D N -0.580 119.834 120.400 0.023 0.000 2.310 262 D HA -0.103 4.536 4.640 -0.002 0.000 0.212 262 D C 1.842 178.221 176.300 0.131 0.000 0.965 262 D CA 1.018 55.066 54.000 0.080 0.000 0.879 262 D CB -0.582 40.284 40.800 0.110 0.000 0.921 262 D HN 0.207 nan 8.370 nan 0.000 0.510 263 G N 1.328 110.242 108.800 0.189 0.000 2.672 263 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.218 263 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.218 263 G C 0.955 175.933 174.900 0.130 0.000 1.238 263 G CA 0.857 46.115 45.100 0.263 0.000 0.791 263 G HN 0.399 nan 8.290 nan 0.000 0.606 264 I N -0.028 120.586 120.570 0.074 0.000 2.436 264 I HA 0.450 4.619 4.170 -0.002 0.000 0.289 264 I C -1.170 174.947 176.117 -0.001 0.000 1.010 264 I CA -0.675 60.651 61.300 0.043 0.000 1.098 264 I CB 2.728 40.754 38.000 0.044 0.000 1.266 264 I HN -0.156 nan 8.210 nan 0.000 0.434 265 V N 7.246 127.153 119.914 -0.012 0.000 2.525 265 V HA 0.459 4.578 4.120 -0.002 0.000 0.299 265 V C -0.257 175.779 176.094 -0.096 0.000 1.034 265 V CA -0.471 61.802 62.300 -0.045 0.000 0.863 265 V CB 2.057 33.879 31.823 -0.002 0.000 0.999 265 V HN 0.481 nan 8.190 nan 0.000 0.423 266 L N 4.245 125.326 121.223 -0.236 0.000 2.325 266 L HA 0.990 5.329 4.340 -0.002 0.000 0.278 266 L C 0.643 177.380 176.870 -0.222 0.000 1.023 266 L CA -0.137 54.444 54.840 -0.431 0.000 0.811 266 L CB 1.831 43.183 42.059 -1.179 0.000 1.249 266 L HN 0.774 nan 8.230 nan 0.000 0.431 267 G N 1.208 110.038 108.800 0.051 0.000 2.684 267 G HA2 0.614 4.573 3.960 -0.002 0.000 0.290 267 G HA3 0.614 4.573 3.960 -0.002 0.000 0.290 267 G C -1.830 173.296 174.900 0.377 0.000 1.425 267 G CA -0.460 44.799 45.100 0.266 0.000 0.822 267 G HN 0.241 nan 8.290 nan 0.000 0.482 268 V N 2.117 122.211 119.914 0.301 0.000 2.326 268 V HA 0.397 4.516 4.120 -0.002 0.000 0.281 268 V C -0.626 175.559 176.094 0.153 0.000 1.015 268 V CA -1.198 61.243 62.300 0.234 0.000 0.823 268 V CB 0.876 32.820 31.823 0.201 0.000 1.009 268 V HN 0.618 nan 8.190 nan 0.000 0.436 269 N N 2.735 121.510 118.700 0.125 0.000 2.482 269 N HA 0.245 4.984 4.740 -0.002 0.000 0.279 269 N C 1.321 176.878 175.510 0.078 0.000 1.182 269 N CA -0.571 52.554 53.050 0.126 0.000 0.969 269 N CB 0.872 39.424 38.487 0.109 0.000 1.201 269 N HN 0.831 nan 8.380 nan 0.000 0.523 270 H N 0.476 119.558 119.070 0.020 0.000 2.489 270 H HA -0.091 4.464 4.556 -0.002 0.000 0.295 270 H C -0.009 175.304 175.328 -0.024 0.000 1.082 270 H CA 1.231 57.279 56.048 0.000 0.000 1.295 270 H CB -0.165 29.593 29.762 -0.007 0.000 1.380 270 H HN 0.539 nan 8.280 nan 0.000 0.548 271 N N 0.325 118.635 118.700 -0.650 0.000 2.351 271 N HA 0.305 5.044 4.740 -0.002 0.000 0.254 271 N C 0.275 175.628 175.510 -0.262 0.000 1.241 271 N CA 0.309 53.053 53.050 -0.511 0.000 0.883 271 N CB 1.012 39.081 38.487 -0.697 0.000 1.202 271 N HN 0.583 nan 8.380 nan 0.000 0.512 272 G N 0.124 108.832 108.800 -0.153 0.000 2.339 272 G HA2 0.125 4.084 3.960 -0.002 0.000 0.381 272 G HA3 0.125 4.084 3.960 -0.002 0.000 0.381 272 G C -1.668 173.219 174.900 -0.021 0.000 1.400 272 G CA -1.043 44.001 45.100 -0.094 0.000 1.002 272 G HN 0.123 nan 8.290 nan 0.000 0.633 273 I N 1.203 121.761 120.570 -0.021 0.000 2.499 273 I HA 0.609 4.778 4.170 -0.002 0.000 0.296 273 I C 0.929 177.136 176.117 0.151 0.000 0.992 273 I CA -0.272 61.081 61.300 0.089 0.000 1.297 273 I CB 1.858 39.883 38.000 0.041 0.000 1.410 273 I HN 0.822 nan 8.210 nan 0.000 0.507 274 T N 1.556 116.228 114.554 0.197 0.000 2.865 274 T HA 0.465 4.814 4.350 -0.002 0.000 0.294 274 T C -1.016 173.769 174.700 0.141 0.000 1.119 274 T CA -0.767 61.467 62.100 0.225 0.000 1.007 274 T CB 1.821 70.809 68.868 0.200 0.000 1.225 274 T HN 0.657 nan 8.240 nan 0.000 0.515 275 C N 0.631 120.026 119.300 0.158 0.000 2.498 275 C HA 0.709 5.168 4.460 -0.002 0.000 0.316 275 C C -0.856 174.198 174.990 0.106 0.000 1.209 275 C CA -0.291 58.784 59.018 0.095 0.000 1.518 275 C CB 0.537 28.378 27.740 0.168 0.000 2.147 275 C HN 1.026 nan 8.230 nan 0.000 0.483 276 E N 4.822 125.060 120.200 0.063 0.000 2.593 276 E HA 0.333 4.682 4.350 -0.002 0.000 0.232 276 E C -0.925 175.705 176.600 0.050 0.000 1.026 276 E CA -0.105 56.331 56.400 0.060 0.000 0.772 276 E CB 0.957 30.689 29.700 0.053 0.000 1.310 276 E HN 0.634 nan 8.360 nan 0.000 0.413 277 L N 1.740 122.992 121.223 0.048 0.000 2.380 277 L HA 0.195 4.534 4.340 -0.002 0.000 0.273 277 L C 0.749 177.636 176.870 0.028 0.000 1.138 277 L CA -0.078 54.786 54.840 0.039 0.000 0.832 277 L CB 1.021 43.094 42.059 0.022 0.000 1.124 277 L HN 0.330 nan 8.230 nan 0.000 0.454 278 S N 1.537 117.260 115.700 0.038 0.000 2.610 278 S HA 0.092 4.561 4.470 -0.002 0.000 0.273 278 S C 1.137 175.716 174.600 -0.036 0.000 1.274 278 S CA -0.741 57.472 58.200 0.023 0.000 1.023 278 S CB 1.045 64.291 63.200 0.078 0.000 0.962 278 S HN 0.732 nan 8.310 nan 0.000 0.523 279 E N 3.114 123.282 120.200 -0.054 0.000 2.338 279 E HA -0.145 4.204 4.350 -0.002 0.000 0.197 279 E C 0.624 177.122 176.600 -0.171 0.000 1.007 279 E CA 1.163 57.511 56.400 -0.087 0.000 0.849 279 E CB -0.757 28.905 29.700 -0.064 0.000 0.774 279 E HN 0.736 nan 8.360 nan 0.000 0.506 280 N N 0.740 119.282 118.700 -0.262 0.000 2.461 280 N HA 0.116 4.855 4.740 -0.002 0.000 0.188 280 N C 1.655 176.619 175.510 -0.911 0.000 1.134 280 N CA -0.005 52.694 53.050 -0.584 0.000 0.878 280 N CB 0.159 38.193 38.487 -0.755 0.000 0.972 280 N HN 0.077 nan 8.380 nan 0.000 0.456 281 L N 1.509 122.476 121.223 -0.426 0.000 1.970 281 L HA -0.077 4.262 4.340 -0.002 0.000 0.212 281 L C -0.608 176.150 176.870 -0.187 0.000 1.071 281 L CA 1.685 56.410 54.840 -0.192 0.000 0.751 281 L CB -1.033 41.011 42.059 -0.025 0.000 0.889 281 L HN 0.157 nan 8.230 nan 0.000 0.432 282 P HA -0.177 nan 4.420 nan 0.000 0.216 282 P C 1.480 178.734 177.300 -0.077 0.000 1.153 282 P CA 2.161 65.197 63.100 -0.107 0.000 0.858 282 P CB -0.325 31.325 31.700 -0.083 0.000 0.789 283 G N -1.083 107.628 108.800 -0.148 0.000 2.418 283 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.217 283 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.217 283 G C 1.404 176.331 174.900 0.046 0.000 1.158 283 G CA 0.489 45.552 45.100 -0.061 0.000 0.771 283 G HN 0.136 nan 8.290 nan 0.000 0.545 284 Y N 0.832 121.119 120.300 -0.022 0.000 2.128 284 Y HA -0.058 4.491 4.550 -0.002 0.000 0.284 284 Y C 2.796 178.633 175.900 -0.105 0.000 1.154 284 Y CA 0.299 58.367 58.100 -0.054 0.000 1.149 284 Y CB -0.850 37.562 38.460 -0.080 0.000 0.976 284 Y HN 0.134 nan 8.280 nan 0.000 0.505 285 I N -1.252 119.299 120.570 -0.032 0.000 2.163 285 I HA -0.362 3.807 4.170 -0.002 0.000 0.243 285 I C 2.352 178.439 176.117 -0.051 0.000 1.085 285 I CA 1.696 62.855 61.300 -0.236 0.000 1.347 285 I CB -0.565 37.194 38.000 -0.402 0.000 1.044 285 I HN 0.122 nan 8.210 nan 0.000 0.408 286 F N 2.140 122.041 119.950 -0.082 0.000 2.095 286 F HA -0.278 4.248 4.527 -0.002 0.000 0.298 286 F C 2.603 178.387 175.800 -0.026 0.000 1.104 286 F CA 1.978 59.952 58.000 -0.043 0.000 1.232 286 F CB -0.349 38.627 39.000 -0.041 0.000 0.987 286 F HN 0.091 nan 8.300 nan 0.000 0.475 287 S N -1.142 114.495 115.700 -0.105 0.000 2.575 287 S HA 0.307 4.776 4.470 -0.002 0.000 0.215 287 S C 1.760 176.281 174.600 -0.131 0.000 0.966 287 S CA 0.113 58.195 58.200 -0.197 0.000 0.911 287 S CB -0.047 63.156 63.200 0.006 0.000 0.780 287 S HN 0.431 nan 8.310 nan 0.000 0.514 288 G N 1.355 110.098 108.800 -0.095 0.000 2.641 288 G HA2 0.137 4.095 3.960 -0.002 0.000 0.207 288 G HA3 0.137 4.095 3.960 -0.002 0.000 0.207 288 G C 1.151 176.006 174.900 -0.075 0.000 1.137 288 G CA 0.411 45.476 45.100 -0.059 0.000 0.824 288 G HN 0.345 nan 8.290 nan 0.000 0.547 289 V N 2.215 122.074 119.914 -0.092 0.000 2.214 289 V HA -0.185 3.933 4.120 -0.002 0.000 0.245 289 V C 3.355 179.342 176.094 -0.179 0.000 1.047 289 V CA 2.424 64.634 62.300 -0.150 0.000 0.998 289 V CB -1.200 30.541 31.823 -0.136 0.000 0.633 289 V HN 0.430 nan 8.190 nan 0.000 0.446 290 A N 1.243 123.954 122.820 -0.182 0.000 1.881 290 A HA -0.232 4.087 4.320 -0.002 0.000 0.219 290 A C 0.827 178.331 177.584 -0.133 0.000 1.215 290 A CA 2.782 54.724 52.037 -0.159 0.000 0.648 290 A CB -2.321 16.554 19.000 -0.208 0.000 0.832 290 A HN 0.609 nan 8.150 nan 0.000 0.455 291 P HA -0.113 nan 4.420 nan 0.000 0.216 291 P C 1.653 178.881 177.300 -0.119 0.000 1.150 291 P CA 1.778 64.807 63.100 -0.117 0.000 0.837 291 P CB -0.312 31.324 31.700 -0.107 0.000 0.786 292 V N 0.490 120.327 119.914 -0.129 0.000 2.221 292 V HA -0.192 3.927 4.120 -0.002 0.000 0.242 292 V C 2.844 178.776 176.094 -0.269 0.000 1.041 292 V CA 1.762 63.960 62.300 -0.170 0.000 0.995 292 V CB -1.457 30.290 31.823 -0.128 0.000 0.635 292 V HN -0.096 nan 8.190 nan 0.000 0.448 293 V N 0.444 120.198 119.914 -0.266 0.000 2.250 293 V HA -0.386 3.733 4.120 -0.002 0.000 0.253 293 V C 2.609 178.641 176.094 -0.103 0.000 1.065 293 V CA 2.924 65.100 62.300 -0.207 0.000 1.039 293 V CB -1.333 30.508 31.823 0.030 0.000 0.647 293 V HN 0.691 nan 8.190 nan 0.000 0.446 294 T N -0.802 113.720 114.554 -0.054 0.000 2.684 294 T HA -0.228 4.121 4.350 -0.002 0.000 0.267 294 T C 1.791 176.502 174.700 0.018 0.000 1.036 294 T CA 1.824 63.924 62.100 -0.001 0.000 1.148 294 T CB -0.279 68.572 68.868 -0.027 0.000 0.863 294 T HN 0.622 nan 8.240 nan 0.000 0.436 295 E N 0.656 120.830 120.200 -0.045 0.000 2.031 295 E HA -0.106 4.243 4.350 -0.002 0.000 0.193 295 E C 2.308 178.944 176.600 0.060 0.000 0.994 295 E CA 0.854 57.255 56.400 0.001 0.000 0.800 295 E CB -0.265 29.397 29.700 -0.063 0.000 0.752 295 E HN 0.287 nan 8.360 nan 0.000 0.447 296 M N 1.211 120.751 119.600 -0.100 0.000 2.089 296 M HA -0.220 4.259 4.480 -0.002 0.000 0.257 296 M C 2.155 178.439 176.300 -0.028 0.000 1.071 296 M CA 1.625 56.839 55.300 -0.143 0.000 1.096 296 M CB -0.574 31.713 32.600 -0.521 0.000 1.330 296 M HN 0.133 nan 8.290 nan 0.000 0.403 297 L N -1.662 119.557 121.223 -0.008 0.000 2.017 297 L HA -0.248 4.091 4.340 -0.002 0.000 0.208 297 L C 2.384 179.305 176.870 0.085 0.000 1.073 297 L CA 1.710 56.572 54.840 0.038 0.000 0.745 297 L CB -0.986 41.114 42.059 0.068 0.000 0.894 297 L HN 0.501 nan 8.230 nan 0.000 0.432 298 W N 1.539 122.813 121.300 -0.042 0.000 2.350 298 W HA -0.233 4.426 4.660 -0.002 0.000 0.289 298 W C 1.990 178.492 176.519 -0.029 0.000 1.215 298 W CA 1.518 58.845 57.345 -0.030 0.000 1.236 298 W CB -0.045 29.396 29.460 -0.032 0.000 1.130 298 W HN 0.156 nan 8.180 nan 0.000 0.541 299 D N -0.647 119.845 120.400 0.153 0.000 2.363 299 D HA -0.086 4.553 4.640 -0.002 0.000 0.220 299 D C 0.503 176.741 176.300 -0.104 0.000 0.994 299 D CA 0.977 54.981 54.000 0.007 0.000 0.890 299 D CB -0.262 40.607 40.800 0.115 0.000 0.906 299 D HN 0.349 nan 8.370 nan 0.000 0.530 300 N N -0.924 117.718 118.700 -0.096 0.000 2.235 300 N HA 0.231 4.970 4.740 -0.002 0.000 0.231 300 N C 0.656 176.089 175.510 -0.127 0.000 1.177 300 N CA 0.119 53.114 53.050 -0.093 0.000 0.874 300 N CB 1.429 39.890 38.487 -0.043 0.000 1.097 300 N HN -0.024 nan 8.380 nan 0.000 0.518 301 G N 0.768 109.440 108.800 -0.212 0.000 2.225 301 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.267 301 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.267 301 G C -0.265 174.567 174.900 -0.112 0.000 1.024 301 G CA 0.472 45.449 45.100 -0.205 0.000 0.784 301 G HN 0.252 nan 8.290 nan 0.000 0.507 302 L N -1.721 119.461 121.223 -0.068 0.000 2.283 302 L HA 0.763 5.102 4.340 -0.002 0.000 0.259 302 L C 0.281 177.178 176.870 0.044 0.000 1.027 302 L CA -1.115 53.715 54.840 -0.017 0.000 0.828 302 L CB 2.044 44.086 42.059 -0.028 0.000 1.380 302 L HN 0.187 nan 8.230 nan 0.000 0.425 303 Q N -0.215 119.623 119.800 0.063 0.000 2.451 303 Q HA 0.446 4.785 4.340 -0.002 0.000 0.281 303 Q C 0.679 176.768 176.000 0.149 0.000 1.099 303 Q CA -0.751 55.116 55.803 0.107 0.000 0.806 303 Q CB 3.012 31.806 28.738 0.094 0.000 1.419 303 Q HN 0.533 nan 8.270 nan 0.000 0.427 304 I N 0.362 121.052 120.570 0.200 0.000 2.248 304 I HA -0.328 3.841 4.170 -0.002 0.000 0.248 304 I C 1.920 178.235 176.117 0.329 0.000 1.107 304 I CA 1.793 63.298 61.300 0.342 0.000 1.373 304 I CB -0.296 37.836 38.000 0.219 0.000 1.055 304 I HN 0.621 nan 8.210 nan 0.000 0.418 305 S N -0.527 115.286 115.700 0.188 0.000 2.595 305 S HA -0.097 4.372 4.470 -0.002 0.000 0.235 305 S C 1.204 175.878 174.600 0.125 0.000 0.974 305 S CA 0.745 59.035 58.200 0.150 0.000 0.942 305 S CB -0.260 62.998 63.200 0.097 0.000 0.766 305 S HN 0.420 nan 8.310 nan 0.000 0.536 306 D N 0.932 121.397 120.400 0.108 0.000 2.338 306 D HA 0.217 4.856 4.640 -0.002 0.000 0.208 306 D C 0.492 176.788 176.300 -0.007 0.000 0.997 306 D CA 0.008 54.032 54.000 0.040 0.000 0.880 306 D CB 0.050 40.856 40.800 0.009 0.000 0.980 306 D HN 0.341 nan 8.370 nan 0.000 0.509 307 I N 2.324 122.887 120.570 -0.013 0.000 2.648 307 I HA -0.052 4.117 4.170 -0.002 0.000 0.284 307 I C 1.224 177.251 176.117 -0.150 0.000 1.153 307 I CA 0.392 61.547 61.300 -0.243 0.000 1.426 307 I CB 0.547 38.131 38.000 -0.692 0.000 1.381 307 I HN -0.127 nan 8.210 nan 0.000 0.571 308 D N 4.882 125.143 120.400 -0.230 0.000 2.323 308 D HA 0.162 4.801 4.640 -0.002 0.000 0.218 308 D C 0.441 176.685 176.300 -0.094 0.000 0.973 308 D CA 0.924 54.866 54.000 -0.097 0.000 0.890 308 D CB 0.538 41.289 40.800 -0.081 0.000 1.011 308 D HN 0.313 nan 8.370 nan 0.000 0.499 309 L N -0.419 120.638 121.223 -0.276 0.000 2.346 309 L HA 0.458 4.797 4.340 -0.002 0.000 0.274 309 L C -1.283 175.355 176.870 -0.387 0.000 1.007 309 L CA -0.853 53.890 54.840 -0.163 0.000 0.818 309 L CB 2.193 44.230 42.059 -0.037 0.000 1.284 309 L HN -0.152 nan 8.230 nan 0.000 0.424 310 W N 1.826 123.150 121.300 0.039 0.000 2.517 310 W HA 0.582 5.241 4.660 -0.002 0.000 0.301 310 W C -0.197 176.302 176.519 -0.034 0.000 1.002 310 W CA -0.488 56.860 57.345 0.006 0.000 1.415 310 W CB 1.720 31.188 29.460 0.013 0.000 1.275 310 W HN 0.484 nan 8.180 nan 0.000 0.413 311 A N 4.716 127.618 122.820 0.137 0.000 2.915 311 A HA 0.402 4.721 4.320 -0.002 0.000 0.292 311 A C -0.039 177.448 177.584 -0.161 0.000 1.632 311 A CA -0.143 51.917 52.037 0.038 0.000 1.337 311 A CB -0.602 18.443 19.000 0.075 0.000 1.111 311 A HN 0.619 nan 8.150 nan 0.000 0.569 312 I N 1.914 122.371 120.570 -0.190 0.000 2.416 312 I HA 0.039 4.208 4.170 -0.002 0.000 0.288 312 I C 0.801 176.801 176.117 -0.194 0.000 1.051 312 I CA -0.480 60.609 61.300 -0.352 0.000 1.375 312 I CB 0.558 38.440 38.000 -0.197 0.000 1.407 312 I HN 0.682 nan 8.210 nan 0.000 0.516 313 H N 9.330 128.273 119.070 -0.212 0.000 3.107 313 H HA 0.057 4.612 4.556 -0.002 0.000 0.301 313 H C -1.945 173.353 175.328 -0.049 0.000 0.981 313 H CA -1.107 54.886 56.048 -0.091 0.000 1.443 313 H CB 0.633 30.362 29.762 -0.055 0.000 1.479 313 H HN 0.271 nan 8.280 nan 0.000 0.564 314 P HA 0.082 nan 4.420 nan 0.000 0.230 314 P C 0.605 177.718 177.300 -0.311 0.000 1.791 314 P CA 0.103 62.975 63.100 -0.380 0.000 1.020 314 P CB 0.055 31.580 31.700 -0.291 0.000 1.977 315 G N 0.659 109.465 108.800 0.012 0.000 2.744 315 G HA2 0.329 4.288 3.960 -0.002 0.000 0.211 315 G HA3 0.329 4.288 3.960 -0.002 0.000 0.211 315 G C 0.663 175.619 174.900 0.093 0.000 1.143 315 G CA 0.336 45.596 45.100 0.267 0.000 0.788 315 G HN 0.685 nan 8.290 nan 0.000 0.534 316 G N -1.185 107.611 108.800 -0.007 0.000 2.350 316 G HA2 0.305 4.263 3.960 -0.002 0.000 0.305 316 G HA3 0.305 4.263 3.960 -0.002 0.000 0.305 316 G C -2.113 172.760 174.900 -0.045 0.000 1.479 316 G CA -0.061 45.021 45.100 -0.030 0.000 0.949 316 G HN -0.142 nan 8.290 nan 0.000 0.651 317 P HA -0.153 nan 4.420 nan 0.000 0.216 317 P C 1.361 178.732 177.300 0.117 0.000 1.153 317 P CA 1.491 64.708 63.100 0.195 0.000 0.858 317 P CB 0.190 32.069 31.700 0.299 0.000 0.789 318 K N -0.968 119.470 120.400 0.062 0.000 2.103 318 K HA -0.043 4.276 4.320 -0.002 0.000 0.204 318 K C 2.247 178.859 176.600 0.020 0.000 1.052 318 K CA 0.905 57.219 56.287 0.045 0.000 0.945 318 K CB -0.541 31.966 32.500 0.011 0.000 0.722 318 K HN 0.064 nan 8.250 nan 0.000 0.443 319 I N 1.576 122.152 120.570 0.010 0.000 2.163 319 I HA -0.285 3.884 4.170 -0.002 0.000 0.243 319 I C 2.127 178.275 176.117 0.052 0.000 1.085 319 I CA 1.528 62.862 61.300 0.056 0.000 1.347 319 I CB -0.290 37.798 38.000 0.146 0.000 1.044 319 I HN 0.108 nan 8.210 nan 0.000 0.408 320 I N -0.422 120.070 120.570 -0.129 0.000 2.353 320 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 320 I C 2.448 178.491 176.117 -0.123 0.000 1.119 320 I CA 1.079 62.199 61.300 -0.300 0.000 1.417 320 I CB -0.467 36.937 38.000 -0.993 0.000 1.078 320 I HN 0.273 nan 8.210 nan 0.000 0.421 321 E N 0.659 120.856 120.200 -0.005 0.000 2.012 321 E HA -0.264 4.085 4.350 -0.002 0.000 0.197 321 E C 2.244 178.924 176.600 0.134 0.000 1.007 321 E CA 1.351 57.847 56.400 0.160 0.000 0.816 321 E CB 0.033 29.841 29.700 0.180 0.000 0.762 321 E HN 0.365 nan 8.360 nan 0.000 0.451 322 Q N 0.051 119.921 119.800 0.117 0.000 2.226 322 Q HA -0.072 4.267 4.340 -0.002 0.000 0.204 322 Q C 2.245 178.366 176.000 0.203 0.000 0.975 322 Q CA 0.883 56.792 55.803 0.177 0.000 0.866 322 Q CB -0.112 28.707 28.738 0.136 0.000 0.915 322 Q HN 0.126 nan 8.270 nan 0.000 0.440 323 S N 0.150 115.962 115.700 0.186 0.000 2.357 323 S HA -0.077 4.392 4.470 -0.002 0.000 0.221 323 S C 2.194 176.888 174.600 0.157 0.000 1.031 323 S CA 1.039 59.397 58.200 0.265 0.000 0.982 323 S CB -0.199 63.274 63.200 0.454 0.000 0.853 323 S HN 0.148 nan 8.310 nan 0.000 0.458 324 V N 1.987 121.963 119.914 0.103 0.000 2.255 324 V HA -0.204 3.915 4.120 -0.002 0.000 0.247 324 V C 2.509 178.629 176.094 0.044 0.000 1.051 324 V CA 1.790 64.109 62.300 0.031 0.000 1.018 324 V CB -0.611 31.259 31.823 0.079 0.000 0.641 324 V HN 0.348 nan 8.190 nan 0.000 0.445 325 R N -0.347 120.230 120.500 0.129 0.000 2.096 325 R HA -0.165 4.174 4.340 -0.002 0.000 0.235 325 R C 2.706 179.133 176.300 0.213 0.000 1.127 325 R CA 1.626 57.842 56.100 0.194 0.000 0.968 325 R CB -0.464 29.988 30.300 0.253 0.000 0.861 325 R HN 0.501 nan 8.270 nan 0.000 0.440 326 S N 0.449 116.224 115.700 0.125 0.000 2.382 326 S HA -0.046 4.423 4.470 -0.002 0.000 0.228 326 S C 1.791 176.297 174.600 -0.156 0.000 1.027 326 S CA 0.933 59.015 58.200 -0.197 0.000 0.991 326 S CB -0.001 63.053 63.200 -0.244 0.000 0.823 326 S HN 0.257 nan 8.310 nan 0.000 0.469 327 L N 0.508 121.664 121.223 -0.111 0.000 2.418 327 L HA 0.203 4.542 4.340 -0.002 0.000 0.218 327 L C 1.581 178.370 176.870 -0.135 0.000 1.125 327 L CA 0.461 55.197 54.840 -0.173 0.000 0.835 327 L CB -0.634 41.208 42.059 -0.362 0.000 0.953 327 L HN 0.542 nan 8.230 nan 0.000 0.454 328 G N 1.908 110.664 108.800 -0.073 0.000 2.295 328 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.287 328 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.287 328 G C 0.115 174.983 174.900 -0.053 0.000 1.055 328 G CA 0.640 45.722 45.100 -0.030 0.000 0.922 328 G HN 0.488 nan 8.290 nan 0.000 0.503 329 I N -2.848 117.662 120.570 -0.101 0.000 2.982 329 I HA 0.837 5.006 4.170 -0.002 0.000 0.312 329 I C 0.721 176.818 176.117 -0.033 0.000 1.041 329 I CA -0.973 60.266 61.300 -0.102 0.000 1.053 329 I CB 1.813 39.642 38.000 -0.284 0.000 1.248 329 I HN 0.141 nan 8.210 nan 0.000 0.471 330 S N 2.035 117.739 115.700 0.006 0.000 2.546 330 S HA 0.224 4.693 4.470 -0.002 0.000 0.290 330 S C 1.330 175.965 174.600 0.059 0.000 1.290 330 S CA 0.176 58.401 58.200 0.040 0.000 1.069 330 S CB 0.828 64.063 63.200 0.059 0.000 0.846 330 S HN 0.867 nan 8.310 nan 0.000 0.495 331 A N 4.595 127.461 122.820 0.077 0.000 1.997 331 A HA -0.161 4.158 4.320 -0.002 0.000 0.221 331 A C 1.878 179.564 177.584 0.169 0.000 1.172 331 A CA 2.109 54.224 52.037 0.130 0.000 0.645 331 A CB -0.727 18.336 19.000 0.105 0.000 0.813 331 A HN 0.966 nan 8.150 nan 0.000 0.454 332 E N -0.277 119.997 120.200 0.123 0.000 2.204 332 E HA -0.060 4.289 4.350 -0.002 0.000 0.194 332 E C 1.635 178.334 176.600 0.165 0.000 0.989 332 E CA 0.693 57.173 56.400 0.134 0.000 0.824 332 E CB -0.267 29.490 29.700 0.094 0.000 0.756 332 E HN 0.652 nan 8.360 nan 0.000 0.477 333 L N 0.248 121.565 121.223 0.157 0.000 2.447 333 L HA -0.120 4.219 4.340 -0.002 0.000 0.225 333 L C 1.699 178.700 176.870 0.219 0.000 1.148 333 L CA 0.480 55.442 54.840 0.204 0.000 0.808 333 L CB -0.153 42.031 42.059 0.208 0.000 0.928 333 L HN 0.106 nan 8.230 nan 0.000 0.448 334 A N -0.954 121.988 122.820 0.203 0.000 2.577 334 A HA 0.505 4.824 4.320 -0.002 0.000 0.280 334 A C 1.929 179.685 177.584 0.286 0.000 1.331 334 A CA 0.530 52.671 52.037 0.174 0.000 0.935 334 A CB -0.142 18.909 19.000 0.085 0.000 1.082 334 A HN 0.264 nan 8.150 nan 0.000 0.525 335 A N 0.033 123.018 122.820 0.274 0.000 1.841 335 A HA -0.157 4.161 4.320 -0.002 0.000 0.214 335 A C 2.009 179.729 177.584 0.226 0.000 1.195 335 A CA 1.825 54.026 52.037 0.273 0.000 0.611 335 A CB -0.516 18.593 19.000 0.182 0.000 0.835 335 A HN 0.485 nan 8.150 nan 0.000 0.443 336 Q N 0.467 120.366 119.800 0.164 0.000 2.133 336 Q HA -0.148 4.191 4.340 -0.002 0.000 0.208 336 Q C 2.401 178.469 176.000 0.114 0.000 0.991 336 Q CA 2.184 58.068 55.803 0.135 0.000 0.867 336 Q CB -0.514 28.293 28.738 0.115 0.000 0.911 336 Q HN 0.648 nan 8.270 nan 0.000 0.417 337 S N -0.438 115.299 115.700 0.061 0.000 2.343 337 S HA -0.163 4.306 4.470 -0.002 0.000 0.219 337 S C 1.505 176.103 174.600 -0.003 0.000 1.033 337 S CA 1.186 59.357 58.200 -0.048 0.000 1.014 337 S CB -0.662 62.420 63.200 -0.197 0.000 0.915 337 S HN 0.477 nan 8.310 nan 0.000 0.435 338 W N 1.752 123.073 121.300 0.034 0.000 2.305 338 W HA -0.220 4.439 4.660 -0.001 0.000 0.308 338 W C 2.344 178.875 176.519 0.021 0.000 1.226 338 W CA 1.206 58.564 57.345 0.023 0.000 1.253 338 W CB -0.480 28.995 29.460 0.025 0.000 1.146 338 W HN 0.378 nan 8.180 nan 0.000 0.507 339 D N -0.352 120.213 120.400 0.275 0.000 2.097 339 D HA -0.191 4.448 4.640 -0.002 0.000 0.195 339 D C 1.966 178.356 176.300 0.151 0.000 0.989 339 D CA 1.877 55.983 54.000 0.177 0.000 0.827 339 D CB -0.275 40.618 40.800 0.154 0.000 0.966 339 D HN -0.087 nan 8.370 nan 0.000 0.456 340 V N 1.038 121.055 119.914 0.173 0.000 2.343 340 V HA -0.188 3.931 4.120 -0.002 0.000 0.247 340 V C 2.485 178.664 176.094 0.142 0.000 1.051 340 V CA 1.224 63.660 62.300 0.227 0.000 1.036 340 V CB -0.586 31.337 31.823 0.166 0.000 0.654 340 V HN 0.423 nan 8.190 nan 0.000 0.451 341 L N 0.537 121.806 121.223 0.077 0.000 2.083 341 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 341 L C 2.486 179.393 176.870 0.062 0.000 1.083 341 L CA 2.527 57.397 54.840 0.050 0.000 0.752 341 L CB -0.977 41.111 42.059 0.049 0.000 0.899 341 L HN 0.363 nan 8.230 nan 0.000 0.433 342 A N 0.249 123.119 122.820 0.084 0.000 1.898 342 A HA -0.201 4.118 4.320 -0.002 0.000 0.216 342 A C 2.278 179.818 177.584 -0.074 0.000 1.181 342 A CA 1.515 53.571 52.037 0.032 0.000 0.620 342 A CB -0.369 18.660 19.000 0.049 0.000 0.819 342 A HN 0.506 nan 8.150 nan 0.000 0.442 343 R N -2.439 117.957 120.500 -0.173 0.000 2.140 343 R HA 0.166 4.505 4.340 -0.002 0.000 0.213 343 R C 0.669 176.528 176.300 -0.735 0.000 1.059 343 R CA 1.109 56.909 56.100 -0.499 0.000 1.000 343 R CB -0.046 29.812 30.300 -0.738 0.000 0.910 343 R HN 0.553 nan 8.270 nan 0.000 0.455 344 F N -0.552 119.366 119.950 -0.054 0.000 2.746 344 F HA 0.384 4.910 4.527 -0.001 0.000 0.320 344 F C 1.212 176.952 175.800 -0.100 0.000 1.097 344 F CA 0.149 58.081 58.000 -0.114 0.000 1.195 344 F CB 0.676 39.499 39.000 -0.295 0.000 1.056 344 F HN 0.114 nan 8.300 nan 0.000 0.562 345 G N 1.411 110.244 108.800 0.055 0.000 2.697 345 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.240 345 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.240 345 G C -0.460 174.459 174.900 0.031 0.000 1.346 345 G CA -0.461 44.655 45.100 0.027 0.000 0.887 345 G HN 0.306 nan 8.290 nan 0.000 0.569 346 N N 0.397 119.137 118.700 0.067 0.000 2.408 346 N HA 0.488 5.227 4.740 -0.002 0.000 0.257 346 N C 0.704 176.328 175.510 0.191 0.000 1.064 346 N CA -0.164 52.980 53.050 0.157 0.000 0.952 346 N CB 0.421 39.100 38.487 0.320 0.000 1.093 346 N HN 0.464 nan 8.380 nan 0.000 0.490 347 M N 4.628 124.263 119.600 0.058 0.000 2.869 347 M HA 0.138 4.617 4.480 -0.002 0.000 0.338 347 M C 0.189 176.506 176.300 0.027 0.000 1.227 347 M CA -0.489 54.812 55.300 0.003 0.000 0.946 347 M CB 0.178 32.695 32.600 -0.138 0.000 1.299 347 M HN 0.348 nan 8.290 nan 0.000 0.518 348 L N -0.756 120.507 121.223 0.067 0.000 5.840 348 L HA -0.464 3.875 4.340 -0.002 0.000 0.053 348 L C 2.003 178.953 176.870 0.132 0.000 2.327 348 L CA 2.392 57.261 54.840 0.047 0.000 1.715 348 L CB -1.908 40.082 42.059 -0.115 0.000 2.706 348 L HN 0.623 nan 8.230 nan 0.000 0.957 349 S N -1.599 114.122 115.700 0.035 0.000 2.419 349 S HA -0.126 4.343 4.470 -0.002 0.000 0.235 349 S C 1.684 176.338 174.600 0.091 0.000 1.019 349 S CA 1.358 59.584 58.200 0.043 0.000 0.982 349 S CB -0.725 62.487 63.200 0.019 0.000 0.789 349 S HN 0.378 nan 8.310 nan 0.000 0.490 350 V N 2.231 122.201 119.914 0.092 0.000 2.295 350 V HA -0.183 3.936 4.120 -0.002 0.000 0.246 350 V C 2.823 179.006 176.094 0.147 0.000 1.049 350 V CA 2.072 64.443 62.300 0.119 0.000 1.024 350 V CB -1.362 30.514 31.823 0.088 0.000 0.648 350 V HN 0.552 nan 8.190 nan 0.000 0.447 351 S N 0.197 115.925 115.700 0.046 0.000 2.381 351 S HA -0.287 4.182 4.470 -0.002 0.000 0.230 351 S C 1.898 176.519 174.600 0.035 0.000 1.052 351 S CA 2.027 60.191 58.200 -0.060 0.000 1.068 351 S CB -0.586 62.486 63.200 -0.212 0.000 0.918 351 S HN 0.402 nan 8.310 nan 0.000 0.448 352 L N 1.231 122.522 121.223 0.113 0.000 2.187 352 L HA -0.003 4.336 4.340 -0.002 0.000 0.213 352 L C 1.834 178.726 176.870 0.037 0.000 1.100 352 L CA 1.469 56.357 54.840 0.079 0.000 0.765 352 L CB -0.452 41.671 42.059 0.107 0.000 0.904 352 L HN 0.361 nan 8.230 nan 0.000 0.437 353 I N -2.707 117.908 120.570 0.076 0.000 2.716 353 I HA -0.204 3.965 4.170 -0.002 0.000 0.259 353 I C 1.979 178.106 176.117 0.016 0.000 1.172 353 I CA 0.405 61.712 61.300 0.013 0.000 1.478 353 I CB -0.241 37.752 38.000 -0.011 0.000 1.104 353 I HN 0.105 nan 8.210 nan 0.000 0.439 354 F N 0.986 120.869 119.950 -0.111 0.000 2.075 354 F HA -0.198 4.328 4.527 -0.002 0.000 0.297 354 F C 2.515 178.276 175.800 -0.065 0.000 1.113 354 F CA 1.459 59.387 58.000 -0.120 0.000 1.218 354 F CB -0.983 37.913 39.000 -0.174 0.000 0.984 354 F HN -0.219 nan 8.300 nan 0.000 0.472 355 V N 0.363 120.368 119.914 0.152 0.000 2.252 355 V HA -0.343 3.776 4.120 -0.002 0.000 0.249 355 V C 2.522 178.630 176.094 0.022 0.000 1.056 355 V CA 1.921 64.266 62.300 0.075 0.000 1.022 355 V CB -0.829 31.010 31.823 0.028 0.000 0.641 355 V HN 0.343 nan 8.190 nan 0.000 0.445 356 L N -0.140 121.058 121.223 -0.041 0.000 2.043 356 L HA -0.278 4.061 4.340 -0.002 0.000 0.212 356 L C 2.657 179.474 176.870 -0.089 0.000 1.075 356 L CA 2.498 57.266 54.840 -0.121 0.000 0.752 356 L CB -0.404 41.517 42.059 -0.230 0.000 0.891 356 L HN 0.550 nan 8.230 nan 0.000 0.432 357 E N -0.900 119.248 120.200 -0.087 0.000 2.085 357 E HA -0.237 4.111 4.350 -0.002 0.000 0.194 357 E C 1.825 178.403 176.600 -0.036 0.000 0.994 357 E CA 2.019 58.364 56.400 -0.091 0.000 0.801 357 E CB 0.055 29.657 29.700 -0.163 0.000 0.743 357 E HN 0.476 nan 8.360 nan 0.000 0.453 358 T N 0.994 115.551 114.554 0.006 0.000 2.746 358 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 358 T C 1.834 176.559 174.700 0.042 0.000 1.039 358 T CA 1.705 63.831 62.100 0.043 0.000 1.142 358 T CB -0.157 68.762 68.868 0.085 0.000 0.866 358 T HN 0.256 nan 8.240 nan 0.000 0.444 359 M N 0.595 120.220 119.600 0.042 0.000 2.296 359 M HA -0.041 4.438 4.480 -0.002 0.000 0.265 359 M C 2.318 178.645 176.300 0.045 0.000 1.064 359 M CA 0.996 56.333 55.300 0.061 0.000 1.109 359 M CB -0.514 32.144 32.600 0.096 0.000 1.396 359 M HN 0.116 nan 8.290 nan 0.000 0.430 360 V N 0.226 120.147 119.914 0.011 0.000 2.346 360 V HA -0.205 3.914 4.120 -0.002 0.000 0.244 360 V C 2.200 178.298 176.094 0.006 0.000 1.037 360 V CA 1.565 63.867 62.300 0.002 0.000 1.029 360 V CB -0.744 31.061 31.823 -0.030 0.000 0.663 360 V HN 0.480 nan 8.190 nan 0.000 0.454 361 Q N 0.745 120.546 119.800 0.002 0.000 2.084 361 Q HA -0.143 4.196 4.340 -0.002 0.000 0.202 361 Q C 0.858 176.869 176.000 0.019 0.000 0.978 361 Q CA 1.145 56.951 55.803 0.006 0.000 0.844 361 Q CB -0.027 28.714 28.738 0.004 0.000 0.898 361 Q HN 0.783 nan 8.270 nan 0.000 0.426 362 Q N -0.024 119.794 119.800 0.030 0.000 2.339 362 Q HA 0.676 5.015 4.340 -0.002 0.000 0.268 362 Q C -1.263 174.762 176.000 0.041 0.000 1.027 362 Q CA -0.711 55.113 55.803 0.035 0.000 0.759 362 Q CB 1.669 30.432 28.738 0.042 0.000 1.244 362 Q HN 0.024 nan 8.270 nan 0.000 0.464 363 A N 2.923 125.765 122.820 0.036 0.000 2.483 363 A HA 0.114 4.433 4.320 -0.002 0.000 0.238 363 A C 0.773 178.382 177.584 0.042 0.000 1.070 363 A CA -0.172 51.888 52.037 0.038 0.000 0.770 363 A CB 0.255 19.273 19.000 0.029 0.000 1.008 363 A HN 0.889 nan 8.150 nan 0.000 0.497 364 E N 0.548 120.774 120.200 0.044 0.000 2.465 364 E HA 0.200 4.549 4.350 -0.002 0.000 0.195 364 E C -0.085 176.539 176.600 0.041 0.000 1.028 364 E CA 0.559 56.988 56.400 0.049 0.000 0.899 364 E CB -0.627 29.109 29.700 0.059 0.000 1.032 364 E HN 1.016 nan 8.360 nan 0.000 0.468 365 S N -1.733 113.986 115.700 0.032 0.000 2.688 365 S HA 0.540 5.009 4.470 -0.002 0.000 0.266 365 S C -0.256 174.356 174.600 0.021 0.000 1.061 365 S CA -0.405 57.811 58.200 0.027 0.000 0.844 365 S CB 0.352 63.567 63.200 0.025 0.000 1.103 365 S HN 0.217 nan 8.310 nan 0.000 0.471 366 A N 0.744 123.574 122.820 0.018 0.000 2.359 366 A HA 0.336 4.655 4.320 -0.002 0.000 0.240 366 A C 0.662 178.253 177.584 0.011 0.000 1.306 366 A CA -0.263 51.783 52.037 0.014 0.000 0.898 366 A CB -0.866 18.142 19.000 0.013 0.000 0.956 366 A HN 0.683 nan 8.150 nan 0.000 0.497 367 K N -0.087 120.319 120.400 0.010 0.000 2.118 367 K HA 0.690 5.009 4.320 -0.002 0.000 0.267 367 K C -0.139 176.464 176.600 0.005 0.000 0.991 367 K CA -0.290 56.000 56.287 0.005 0.000 0.916 367 K CB 1.320 33.821 32.500 0.001 0.000 1.041 367 K HN 0.040 nan 8.250 nan 0.000 0.455 368 A N 4.242 127.063 122.820 0.003 0.000 2.404 368 A HA 0.391 4.710 4.320 -0.002 0.000 0.273 368 A C 0.172 177.756 177.584 0.001 0.000 1.144 368 A CA -0.589 51.451 52.037 0.004 0.000 0.806 368 A CB -0.686 18.316 19.000 0.002 0.000 1.080 368 A HN 0.878 nan 8.150 nan 0.000 0.509 369 I N 1.294 121.867 120.570 0.005 0.000 7.870 369 I HA -0.176 3.993 4.170 -0.002 0.000 0.126 369 I C -0.126 175.985 176.117 -0.010 0.000 1.847 369 I CA 0.190 61.491 61.300 0.002 0.000 2.037 369 I CB -1.360 36.637 38.000 -0.005 0.000 3.728 369 I HN 0.601 nan 8.210 nan 0.000 0.169 370 S N 4.999 120.695 115.700 -0.006 0.000 2.433 370 S HA 0.494 4.963 4.470 -0.002 0.000 0.310 370 S C 0.062 174.603 174.600 -0.097 0.000 1.097 370 S CA -0.617 57.564 58.200 -0.033 0.000 1.103 370 S CB 1.803 65.004 63.200 0.002 0.000 0.992 370 S HN 0.535 nan 8.310 nan 0.000 0.469 371 T N 3.281 117.735 114.554 -0.168 0.000 2.780 371 T HA 0.612 4.961 4.350 -0.002 0.000 0.294 371 T C 0.536 174.924 174.700 -0.519 0.000 0.949 371 T CA -0.395 61.523 62.100 -0.303 0.000 1.074 371 T CB 0.956 69.683 68.868 -0.234 0.000 0.910 371 T HN 0.724 nan 8.240 nan 0.000 0.501 372 G N 1.409 109.627 108.800 -0.970 0.000 2.642 372 G HA2 0.663 4.622 3.960 -0.002 0.000 0.293 372 G HA3 0.663 4.622 3.960 -0.002 0.000 0.293 372 G C -1.497 172.544 174.900 -1.433 0.000 1.341 372 G CA -0.548 43.792 45.100 -1.267 0.000 0.916 372 G HN 0.650 nan 8.290 nan 0.000 0.474 373 V N -0.005 119.381 119.914 -0.880 0.000 2.604 373 V HA 0.832 4.951 4.120 -0.002 0.000 0.305 373 V C 0.162 176.326 176.094 0.115 0.000 1.043 373 V CA -0.539 61.581 62.300 -0.301 0.000 0.888 373 V CB 1.443 33.098 31.823 -0.281 0.000 0.995 373 V HN 1.255 nan 8.190 nan 0.000 0.429 374 A N 4.467 127.490 122.820 0.339 0.000 2.413 374 A HA 1.083 5.402 4.320 -0.002 0.000 0.307 374 A C -1.194 176.488 177.584 0.162 0.000 1.087 374 A CA -0.510 51.631 52.037 0.174 0.000 0.750 374 A CB 1.734 20.840 19.000 0.176 0.000 1.296 374 A HN 1.488 nan 8.150 nan 0.000 0.423 375 F N -1.723 118.258 119.950 0.052 0.000 2.725 375 F HA 0.812 5.338 4.527 -0.002 0.000 0.311 375 F C -0.531 175.103 175.800 -0.278 0.000 1.121 375 F CA -0.580 57.343 58.000 -0.128 0.000 0.978 375 F CB 0.609 39.599 39.000 -0.016 0.000 1.274 375 F HN 1.191 nan 8.300 nan 0.000 0.440 376 A N 1.359 124.061 122.820 -0.196 0.000 2.524 376 A HA 0.931 5.250 4.320 -0.002 0.000 0.286 376 A C -2.184 174.945 177.584 -0.758 0.000 1.203 376 A CA -0.922 50.851 52.037 -0.441 0.000 0.736 376 A CB 1.381 20.190 19.000 -0.319 0.000 1.322 376 A HN 0.720 nan 8.150 nan 0.000 0.424 377 F N -0.343 119.612 119.950 0.008 0.000 2.520 377 F HA 0.661 5.187 4.527 -0.002 0.000 0.322 377 F C 0.833 176.605 175.800 -0.047 0.000 1.103 377 F CA -0.185 57.824 58.000 0.016 0.000 0.926 377 F CB 2.497 41.533 39.000 0.061 0.000 1.154 377 F HN 0.807 nan 8.300 nan 0.000 0.453 378 G N 1.507 110.373 108.800 0.110 0.000 2.788 378 G HA2 0.704 4.663 3.960 -0.002 0.000 0.293 378 G HA3 0.704 4.663 3.960 -0.002 0.000 0.293 378 G C -3.125 171.799 174.900 0.040 0.000 1.305 378 G CA -2.323 42.798 45.100 0.034 0.000 1.005 378 G HN 0.261 nan 8.290 nan 0.000 0.496 379 P HA 0.137 nan 4.420 nan 0.000 0.269 379 P C 1.153 178.449 177.300 -0.007 0.000 1.205 379 P CA 1.909 64.999 63.100 -0.017 0.000 0.780 379 P CB 0.620 32.291 31.700 -0.050 0.000 0.858 380 G N 0.101 108.889 108.800 -0.020 0.000 2.284 380 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.261 380 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.261 380 G C 0.036 174.902 174.900 -0.058 0.000 0.997 380 G CA 0.047 45.126 45.100 -0.034 0.000 0.621 380 G HN 0.771 nan 8.290 nan 0.000 0.534 381 V N -0.339 119.561 119.914 -0.022 0.000 4.436 381 V HA -0.137 3.982 4.120 -0.002 0.000 0.401 381 V C 0.315 176.426 176.094 0.030 0.000 0.653 381 V CA 1.276 63.576 62.300 -0.000 0.000 1.676 381 V CB -2.033 29.723 31.823 -0.112 0.000 2.052 381 V HN 1.231 nan 8.190 nan 0.000 0.484 382 T N 3.900 118.503 114.554 0.081 0.000 2.792 382 T HA 0.632 4.981 4.350 -0.002 0.000 0.280 382 T C -0.026 174.758 174.700 0.139 0.000 0.990 382 T CA -0.645 61.504 62.100 0.081 0.000 0.960 382 T CB 2.183 71.076 68.868 0.042 0.000 0.939 382 T HN 0.429 nan 8.240 nan 0.000 0.439 383 V N 3.540 123.548 119.914 0.157 0.000 2.406 383 V HA 0.409 4.528 4.120 -0.002 0.000 0.272 383 V C 0.187 176.311 176.094 0.049 0.000 1.043 383 V CA -0.431 61.955 62.300 0.144 0.000 0.915 383 V CB 1.004 32.953 31.823 0.210 0.000 0.988 383 V HN 0.829 nan 8.190 nan 0.000 0.466 384 E N 2.511 122.655 120.200 -0.093 0.000 2.222 384 E HA 0.772 5.121 4.350 -0.002 0.000 0.267 384 E C 0.138 176.514 176.600 -0.374 0.000 0.884 384 E CA -0.038 56.233 56.400 -0.215 0.000 0.764 384 E CB 2.170 31.780 29.700 -0.149 0.000 1.169 384 E HN 0.874 nan 8.360 nan 0.000 0.413 385 G N 1.804 110.085 108.800 -0.864 0.000 2.650 385 G HA2 0.648 4.607 3.960 -0.002 0.000 0.310 385 G HA3 0.648 4.607 3.960 -0.002 0.000 0.310 385 G C -1.395 172.992 174.900 -0.854 0.000 1.270 385 G CA -0.563 44.066 45.100 -0.784 0.000 0.810 385 G HN 0.535 nan 8.290 nan 0.000 0.493 386 M N -1.342 118.092 119.600 -0.276 0.000 2.643 386 M HA 0.763 5.242 4.480 -0.002 0.000 0.276 386 M C -2.236 174.266 176.300 0.337 0.000 1.200 386 M CA -0.927 54.412 55.300 0.066 0.000 0.863 386 M CB 2.134 34.770 32.600 0.060 0.000 1.711 386 M HN 0.738 nan 8.290 nan 0.000 0.492 387 L N 3.347 124.741 121.223 0.286 0.000 2.295 387 L HA 0.903 5.242 4.340 -0.002 0.000 0.285 387 L C -1.538 175.434 176.870 0.171 0.000 1.035 387 L CA -0.077 54.846 54.840 0.140 0.000 0.806 387 L CB 1.236 43.349 42.059 0.090 0.000 1.214 387 L HN 0.763 nan 8.230 nan 0.000 0.426 388 F N 1.444 121.384 119.950 -0.016 0.000 2.645 388 F HA 0.709 5.235 4.527 -0.001 0.000 0.310 388 F C -1.345 174.429 175.800 -0.043 0.000 1.102 388 F CA -1.011 56.973 58.000 -0.026 0.000 0.952 388 F CB 1.258 40.240 39.000 -0.030 0.000 1.326 388 F HN 0.325 nan 8.300 nan 0.000 0.456 389 D N 2.198 122.723 120.400 0.207 0.000 2.350 389 D HA 0.545 5.184 4.640 -0.002 0.000 0.245 389 D C -0.734 175.690 176.300 0.207 0.000 1.036 389 D CA -0.120 53.943 54.000 0.104 0.000 0.848 389 D CB 2.920 43.743 40.800 0.039 0.000 1.307 389 D HN 0.589 nan 8.370 nan 0.000 0.469 390 I N 2.561 123.224 120.570 0.156 0.000 2.355 390 I HA 0.230 4.399 4.170 -0.002 0.000 0.288 390 I C -0.193 175.963 176.117 0.064 0.000 0.999 390 I CA -0.871 60.506 61.300 0.128 0.000 1.163 390 I CB 1.339 39.426 38.000 0.144 0.000 1.316 390 I HN 0.099 nan 8.210 nan 0.000 0.454 391 I N 7.520 128.118 120.570 0.047 0.000 2.533 391 I HA 0.101 4.270 4.170 -0.002 0.000 0.284 391 I C 1.408 177.539 176.117 0.023 0.000 1.109 391 I CA 0.477 61.794 61.300 0.028 0.000 1.412 391 I CB 0.271 38.285 38.000 0.023 0.000 1.396 391 I HN 0.501 nan 8.210 nan 0.000 0.543 392 R N 5.407 125.918 120.500 0.018 0.000 2.257 392 R HA 0.385 4.724 4.340 -0.002 0.000 0.195 392 R C 0.494 176.801 176.300 0.011 0.000 0.921 392 R CA 0.268 56.377 56.100 0.016 0.000 1.069 392 R CB 0.292 30.601 30.300 0.016 0.000 1.115 392 R HN 0.535 nan 8.270 nan 0.000 0.571 393 R N 0.000 120.505 120.500 0.009 0.000 2.786 393 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 393 R CA 0.000 56.104 56.100 0.006 0.000 0.921 393 R CB 0.000 30.303 30.300 0.006 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535