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 2ar0_1_A DATA FIRST_RESID 6 DATA SEQUENCE NDLVAKLWKL CDNLRDGGVS YQNYVNELAS LLFLKXCKET GQEAEYLPEG DATA SEQUENCE YRWDDLKSRI GQEQLQFYRK XLVHLGEDDK KLVQAVFHNV STTITEPKQI DATA SEQUENCE TALVSNXDSL DWXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXQYFTPR DATA SEQUENCE PLIKTIIHLL KPQPREVVQD PAAGTAGFLI EADRYVKSQT NDLDDLDGDT DATA SEQUENCE QDFQIHRAFI GLELVPGTRR LALXNCLLHD IEGNLDHGGA IRLGNTLGSD DATA SEQUENCE GENLPKAHIV ATNPPFGSAA GTNITRTFVH PTSNKQLCFX QHIIETLHPG DATA SEQUENCE GRAAVVVPDN VLFEGGKGTD IRRDLXDKCH LHTILRLPTG IFYAQGVKTN DATA SEQUENCE VLFFTKGTVA NPNQDKNCTD DVWVYDLRTN XPSFGKRTPF TDEHLQPFER DATA SEQUENCE VYGEDPHGLS PRTEGEWSFN AEETEVADSE ENKNTDQHLA TSRWRKFSRE DATA SEQUENCE WIRTAKSDSL DISWLKDKDX XXXXXXPEPD VLAAEAXGEL VQALSELDAL DATA SEQUENCE XRELGASDEA DLQRQLLEEA FGGV 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.550 175.510 0.067 0.000 1.280 6 N CA 0.000 53.089 53.050 0.064 0.000 0.885 6 N CB 0.000 38.515 38.487 0.046 0.000 1.341 7 D N 1.119 121.550 120.400 0.051 0.000 2.144 7 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 7 D C 1.796 178.132 176.300 0.060 0.000 0.984 7 D CA 0.971 54.999 54.000 0.047 0.000 0.834 7 D CB 0.086 40.908 40.800 0.037 0.000 0.955 7 D HN 0.216 nan 8.370 nan 0.000 0.465 8 L N 0.821 122.081 121.223 0.063 0.000 2.072 8 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 8 L C 2.335 179.255 176.870 0.084 0.000 1.079 8 L CA 1.057 55.937 54.840 0.067 0.000 0.752 8 L CB -0.268 41.825 42.059 0.057 0.000 0.906 8 L HN -0.178 nan 8.230 nan 0.000 0.436 9 V N -0.111 119.862 119.914 0.098 0.000 2.407 9 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 9 V C 2.705 178.936 176.094 0.228 0.000 1.055 9 V CA 1.508 63.891 62.300 0.139 0.000 1.049 9 V CB -1.299 30.613 31.823 0.149 0.000 0.662 9 V HN 0.556 nan 8.190 nan 0.000 0.455 10 A N -0.458 122.476 122.820 0.190 0.000 1.968 10 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 10 A C 2.327 180.007 177.584 0.161 0.000 1.169 10 A CA 1.823 53.971 52.037 0.186 0.000 0.638 10 A CB -0.376 18.668 19.000 0.073 0.000 0.812 10 A HN 0.501 nan 8.150 nan 0.000 0.446 11 K N -0.400 120.069 120.400 0.116 0.000 2.155 11 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 11 K C 1.724 178.382 176.600 0.096 0.000 1.052 11 K CA 0.854 57.193 56.287 0.086 0.000 0.948 11 K CB -0.206 32.332 32.500 0.064 0.000 0.728 11 K HN 0.483 nan 8.250 nan 0.000 0.448 12 L N -0.414 120.874 121.223 0.109 0.000 2.109 12 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 12 L C 2.324 179.250 176.870 0.093 0.000 1.086 12 L CA 0.516 55.401 54.840 0.075 0.000 0.760 12 L CB -0.419 41.669 42.059 0.048 0.000 0.910 12 L HN 0.430 nan 8.230 nan 0.000 0.437 13 W N 1.878 123.160 121.300 -0.031 0.000 2.355 13 W HA -0.195 4.465 4.660 -0.000 0.000 0.309 13 W C 2.369 178.832 176.519 -0.093 0.000 1.206 13 W CA 1.482 58.795 57.345 -0.054 0.000 1.284 13 W CB -0.216 29.235 29.460 -0.014 0.000 1.145 13 W HN 0.104 nan 8.180 nan 0.000 0.502 14 K N -0.042 120.497 120.400 0.232 0.000 2.103 14 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 14 K C 2.040 178.665 176.600 0.040 0.000 1.048 14 K CA 1.625 57.971 56.287 0.098 0.000 0.930 14 K CB -0.725 31.805 32.500 0.049 0.000 0.716 14 K HN 0.233 nan 8.250 nan 0.000 0.444 15 L N 0.403 121.640 121.223 0.023 0.000 2.093 15 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 15 L C 2.427 179.233 176.870 -0.107 0.000 1.085 15 L CA 0.707 55.533 54.840 -0.023 0.000 0.755 15 L CB -0.537 41.518 42.059 -0.007 0.000 0.904 15 L HN 0.277 nan 8.230 nan 0.000 0.435 16 C N -0.037 119.143 119.300 -0.200 0.000 2.430 16 C HA -0.150 4.310 4.460 -0.000 0.000 0.288 16 C C 2.335 177.050 174.990 -0.459 0.000 1.448 16 C CA 0.673 59.370 59.018 -0.535 0.000 1.784 16 C CB -1.029 26.142 27.740 -0.949 0.000 1.776 16 C HN 0.530 nan 8.230 nan 0.000 0.547 17 D N 1.017 121.307 120.400 -0.183 0.000 2.219 17 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 17 D C 1.985 178.234 176.300 -0.086 0.000 0.970 17 D CA 1.098 55.038 54.000 -0.100 0.000 0.851 17 D CB -0.279 40.507 40.800 -0.023 0.000 0.943 17 D HN 0.442 nan 8.370 nan 0.000 0.488 18 N N -0.160 118.489 118.700 -0.085 0.000 2.250 18 N HA -0.048 4.691 4.740 -0.000 0.000 0.181 18 N C 2.042 177.526 175.510 -0.044 0.000 1.017 18 N CA 0.368 53.390 53.050 -0.046 0.000 0.866 18 N CB -0.060 38.409 38.487 -0.031 0.000 0.985 18 N HN 0.301 nan 8.380 nan 0.000 0.429 19 L N 0.969 122.135 121.223 -0.094 0.000 2.056 19 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 19 L C 2.717 179.607 176.870 0.035 0.000 1.078 19 L CA 0.880 55.701 54.840 -0.032 0.000 0.749 19 L CB -0.309 41.702 42.059 -0.081 0.000 0.901 19 L HN 0.129 nan 8.230 nan 0.000 0.433 20 R N 0.492 120.963 120.500 -0.048 0.000 2.080 20 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 20 R C 1.125 177.453 176.300 0.046 0.000 1.137 20 R CA 1.977 58.092 56.100 0.026 0.000 0.943 20 R CB -0.140 30.120 30.300 -0.066 0.000 0.846 20 R HN 0.322 nan 8.270 nan 0.000 0.431 21 D N -1.087 119.326 120.400 0.021 0.000 2.324 21 D HA 0.032 4.672 4.640 -0.000 0.000 0.235 21 D C 0.877 177.198 176.300 0.035 0.000 1.095 21 D CA 0.647 54.667 54.000 0.034 0.000 0.871 21 D CB 0.843 41.657 40.800 0.023 0.000 0.906 21 D HN 0.541 nan 8.370 nan 0.000 0.522 22 G N -0.597 108.228 108.800 0.042 0.000 3.192 22 G HA2 0.350 4.310 3.960 -0.000 0.000 0.239 22 G HA3 0.350 4.310 3.960 -0.000 0.000 0.239 22 G C 1.182 176.119 174.900 0.062 0.000 1.084 22 G CA 0.198 45.326 45.100 0.048 0.000 0.784 22 G HN 0.345 nan 8.290 nan 0.000 0.540 23 G N -0.821 108.021 108.800 0.071 0.000 2.201 23 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.212 23 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.212 23 G C 0.233 175.184 174.900 0.085 0.000 0.994 23 G CA 0.010 45.154 45.100 0.073 0.000 0.644 23 G HN 0.659 nan 8.290 nan 0.000 0.508 24 V N 1.777 121.756 119.914 0.109 0.000 2.686 24 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 24 V C 1.243 177.404 176.094 0.111 0.000 1.055 24 V CA 0.514 62.892 62.300 0.130 0.000 1.050 24 V CB 1.523 33.462 31.823 0.194 0.000 0.984 24 V HN 0.580 nan 8.190 nan 0.000 0.482 25 S N 2.677 118.384 115.700 0.012 0.000 2.632 25 S HA 0.270 4.740 4.470 -0.000 0.000 0.267 25 S C 0.701 174.984 174.600 -0.528 0.000 1.276 25 S CA -0.264 57.894 58.200 -0.071 0.000 0.998 25 S CB 0.395 63.580 63.200 -0.025 0.000 0.953 25 S HN 0.513 nan 8.310 nan 0.000 0.547 26 Y N 0.916 120.756 120.300 -0.767 0.000 2.497 26 Y HA -0.003 4.547 4.550 -0.000 0.000 0.292 26 Y C 2.569 177.991 175.900 -0.796 0.000 1.137 26 Y CA 1.149 58.453 58.100 -1.327 0.000 1.285 26 Y CB -0.372 37.759 38.460 -0.549 0.000 0.991 26 Y HN 0.746 nan 8.280 nan 0.000 0.556 27 Q N 0.213 119.846 119.800 -0.279 0.000 2.245 27 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 27 Q C 0.750 176.676 176.000 -0.124 0.000 0.955 27 Q CA 1.065 56.776 55.803 -0.153 0.000 0.870 27 Q CB 0.139 28.826 28.738 -0.085 0.000 0.945 27 Q HN 0.407 nan 8.270 nan 0.000 0.461 28 N N -0.473 118.148 118.700 -0.132 0.000 2.230 28 N HA -0.018 4.721 4.740 -0.000 0.000 0.202 28 N C 0.575 176.139 175.510 0.090 0.000 1.119 28 N CA 0.035 53.075 53.050 -0.016 0.000 0.851 28 N CB 0.212 38.706 38.487 0.013 0.000 0.990 28 N HN 0.220 nan 8.380 nan 0.000 0.497 29 Y N 1.863 122.141 120.300 -0.035 0.000 2.014 29 Y HA -0.203 4.347 4.550 -0.000 0.000 0.272 29 Y C 2.574 178.449 175.900 -0.042 0.000 1.164 29 Y CA 0.513 58.576 58.100 -0.063 0.000 1.114 29 Y CB -1.065 37.317 38.460 -0.130 0.000 0.961 29 Y HN -0.174 nan 8.280 nan 0.000 0.489 30 V N 0.863 120.855 119.914 0.131 0.000 2.282 30 V HA -0.376 3.744 4.120 -0.000 0.000 0.249 30 V C 1.902 178.027 176.094 0.051 0.000 1.057 30 V CA 2.264 64.596 62.300 0.053 0.000 1.032 30 V CB -0.971 30.859 31.823 0.012 0.000 0.645 30 V HN 0.515 nan 8.190 nan 0.000 0.447 31 N N -0.257 118.472 118.700 0.048 0.000 2.069 31 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 31 N C 1.814 177.379 175.510 0.091 0.000 1.031 31 N CA 1.371 54.445 53.050 0.041 0.000 0.852 31 N CB -0.197 38.307 38.487 0.029 0.000 1.018 31 N HN 0.513 nan 8.380 nan 0.000 0.423 32 E N 1.304 121.580 120.200 0.126 0.000 2.051 32 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 32 E C 2.276 178.980 176.600 0.174 0.000 0.991 32 E CA 0.750 57.257 56.400 0.177 0.000 0.799 32 E CB -0.370 29.433 29.700 0.172 0.000 0.748 32 E HN 0.441 nan 8.360 nan 0.000 0.449 33 L N 0.542 121.836 121.223 0.119 0.000 2.056 33 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 33 L C 2.626 179.564 176.870 0.113 0.000 1.078 33 L CA 1.071 55.971 54.840 0.099 0.000 0.749 33 L CB -0.631 41.459 42.059 0.051 0.000 0.901 33 L HN 0.059 nan 8.230 nan 0.000 0.433 34 A N -0.173 122.700 122.820 0.089 0.000 1.892 34 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 34 A C 2.515 180.186 177.584 0.145 0.000 1.188 34 A CA 2.301 54.382 52.037 0.073 0.000 0.631 34 A CB -0.735 18.266 19.000 0.002 0.000 0.822 34 A HN 0.408 nan 8.150 nan 0.000 0.447 35 S N 0.101 115.918 115.700 0.195 0.000 2.354 35 S HA -0.174 4.296 4.470 -0.000 0.000 0.219 35 S C 1.877 176.770 174.600 0.488 0.000 1.035 35 S CA 1.700 60.139 58.200 0.397 0.000 1.037 35 S CB -0.679 62.827 63.200 0.510 0.000 0.956 35 S HN 0.504 nan 8.310 nan 0.000 0.428 36 L N 1.141 122.602 121.223 0.396 0.000 2.012 36 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 36 L C 2.408 179.398 176.870 0.200 0.000 1.073 36 L CA 1.147 56.219 54.840 0.387 0.000 0.748 36 L CB -0.742 41.504 42.059 0.312 0.000 0.891 36 L HN 0.275 nan 8.230 nan 0.000 0.431 37 L N -1.310 119.989 121.223 0.127 0.000 2.079 37 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 37 L C 2.602 179.463 176.870 -0.015 0.000 1.081 37 L CA 1.291 56.132 54.840 0.001 0.000 0.752 37 L CB -0.542 41.540 42.059 0.038 0.000 0.896 37 L HN 0.185 nan 8.230 nan 0.000 0.433 38 F N 0.816 120.763 119.950 -0.005 0.000 2.075 38 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 38 F C 2.236 178.036 175.800 0.000 0.000 1.113 38 F CA 1.571 59.572 58.000 0.000 0.000 1.218 38 F CB -0.242 38.808 39.000 0.082 0.000 0.984 38 F HN -0.135 nan 8.300 nan 0.000 0.472 39 L N -0.093 121.223 121.223 0.155 0.000 2.042 39 L HA -0.195 4.144 4.340 -0.000 0.000 0.210 39 L C 1.566 178.284 176.870 -0.253 0.000 1.076 39 L CA 1.104 56.007 54.840 0.106 0.000 0.749 39 L CB -0.975 41.380 42.059 0.493 0.000 0.893 39 L HN 0.056 nan 8.230 nan 0.000 0.432 43 K N 1.634 121.946 120.400 -0.147 0.000 2.001 43 K HA -0.106 4.213 4.320 -0.000 0.000 0.208 43 K C 1.572 178.152 176.600 -0.032 0.000 1.048 43 K CA 1.547 57.814 56.287 -0.033 0.000 0.932 43 K CB -0.092 32.415 32.500 0.012 0.000 0.715 43 K HN 0.395 nan 8.250 nan 0.000 0.437 44 E N 0.333 120.500 120.200 -0.055 0.000 2.273 44 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 44 E C 1.853 178.481 176.600 0.046 0.000 1.002 44 E CA 1.089 57.532 56.400 0.073 0.000 0.828 44 E CB -0.347 29.508 29.700 0.258 0.000 0.747 44 E HN 0.340 nan 8.360 nan 0.000 0.491 45 T N -0.845 113.684 114.554 -0.041 0.000 2.867 45 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 45 T C 1.291 176.012 174.700 0.036 0.000 1.057 45 T CA 1.549 63.633 62.100 -0.027 0.000 1.136 45 T CB -0.170 68.667 68.868 -0.052 0.000 0.874 45 T HN 0.492 nan 8.240 nan 0.000 0.466 46 G N 0.752 109.576 108.800 0.041 0.000 2.141 46 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.242 46 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.242 46 G C 0.271 175.200 174.900 0.048 0.000 0.982 46 G CA 0.377 45.495 45.100 0.030 0.000 0.662 46 G HN 0.564 nan 8.290 nan 0.000 0.527 47 Q N -0.435 119.435 119.800 0.117 0.000 2.074 47 Q HA 0.253 4.593 4.340 -0.000 0.000 0.265 47 Q C 1.475 177.577 176.000 0.170 0.000 0.855 47 Q CA 0.449 56.308 55.803 0.094 0.000 1.083 47 Q CB 0.370 29.135 28.738 0.045 0.000 1.260 47 Q HN 0.729 nan 8.270 nan 0.000 0.427 48 E N 0.145 120.477 120.200 0.220 0.000 2.333 48 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 48 E C 1.466 178.176 176.600 0.183 0.000 1.010 48 E CA 1.291 57.864 56.400 0.289 0.000 0.841 48 E CB -0.059 29.737 29.700 0.159 0.000 0.757 48 E HN 0.353 nan 8.360 nan 0.000 0.508 49 A N 1.395 124.259 122.820 0.073 0.000 2.070 49 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 49 A C 1.825 179.391 177.584 -0.030 0.000 1.159 49 A CA 1.363 53.415 52.037 0.025 0.000 0.656 49 A CB -0.269 18.730 19.000 -0.001 0.000 0.800 49 A HN 0.360 nan 8.150 nan 0.000 0.453 50 E N -2.006 118.101 120.200 -0.154 0.000 2.276 50 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 50 E C 1.276 177.700 176.600 -0.292 0.000 0.983 50 E CA 0.729 56.944 56.400 -0.308 0.000 0.861 50 E CB -0.055 29.317 29.700 -0.547 0.000 0.817 50 E HN 0.867 nan 8.360 nan 0.000 0.485 51 Y N 0.484 120.820 120.300 0.059 0.000 2.314 51 Y HA 0.182 4.731 4.550 -0.000 0.000 0.294 51 Y C 1.161 177.143 175.900 0.137 0.000 1.139 51 Y CA -0.064 58.097 58.100 0.102 0.000 1.162 51 Y CB 0.254 38.764 38.460 0.083 0.000 1.121 51 Y HN -0.174 nan 8.280 nan 0.000 0.529 52 L N 2.891 124.297 121.223 0.305 0.000 2.334 52 L HA 0.400 4.739 4.340 -0.000 0.000 0.275 52 L C -2.395 174.584 176.870 0.182 0.000 1.036 52 L CA -2.314 52.670 54.840 0.239 0.000 0.807 52 L CB 1.153 43.353 42.059 0.236 0.000 1.231 52 L HN -0.121 nan 8.230 nan 0.000 0.438 53 P HA 0.057 nan 4.420 nan 0.000 0.275 53 P C -0.755 176.654 177.300 0.182 0.000 1.228 53 P CA -0.443 62.761 63.100 0.173 0.000 0.786 53 P CB 0.962 32.780 31.700 0.198 0.000 0.927 54 E N 1.049 121.325 120.200 0.126 0.000 2.437 54 E HA 0.188 4.538 4.350 -0.000 0.000 0.263 54 E C 1.165 177.794 176.600 0.048 0.000 1.030 54 E CA 0.904 57.349 56.400 0.076 0.000 0.934 54 E CB -0.488 29.235 29.700 0.039 0.000 0.943 54 E HN 0.785 nan 8.360 nan 0.000 0.444 55 G N 3.233 112.003 108.800 -0.050 0.000 2.253 55 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.251 55 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.251 55 G C -0.052 174.589 174.900 -0.432 0.000 0.998 55 G CA 0.452 45.392 45.100 -0.267 0.000 0.621 55 G HN 0.561 nan 8.290 nan 0.000 0.524 56 Y N 1.058 121.407 120.300 0.081 0.000 2.470 56 Y HA 0.622 5.172 4.550 -0.000 0.000 0.352 56 Y C 0.859 176.847 175.900 0.146 0.000 0.967 56 Y CA -0.759 57.419 58.100 0.129 0.000 1.121 56 Y CB 0.652 39.077 38.460 -0.059 0.000 1.149 56 Y HN 0.205 nan 8.280 nan 0.000 0.641 57 R N -1.117 119.538 120.500 0.258 0.000 2.960 57 R HA 0.216 4.556 4.340 -0.000 0.000 0.249 57 R C 0.751 177.225 176.300 0.290 0.000 1.192 57 R CA -0.879 55.374 56.100 0.254 0.000 1.035 57 R CB 1.202 31.616 30.300 0.189 0.000 1.234 57 R HN 0.517 nan 8.270 nan 0.000 0.493 58 W N 1.355 122.712 121.300 0.095 0.000 2.304 58 W HA -0.294 4.365 4.660 -0.000 0.000 0.315 58 W C 0.454 177.001 176.519 0.048 0.000 1.233 58 W CA 2.056 59.447 57.345 0.077 0.000 1.261 58 W CB 0.023 29.513 29.460 0.049 0.000 1.150 58 W HN 0.608 nan 8.180 nan 0.000 0.494 59 D N 0.333 120.765 120.400 0.052 0.000 2.144 59 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 59 D C 1.592 177.769 176.300 -0.206 0.000 0.984 59 D CA 1.615 55.552 54.000 -0.104 0.000 0.834 59 D CB -0.658 40.142 40.800 0.001 0.000 0.955 59 D HN 0.169 nan 8.370 nan 0.000 0.465 60 D N -0.254 120.052 120.400 -0.157 0.000 2.219 60 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 60 D C 2.073 178.050 176.300 -0.537 0.000 0.970 60 D CA 0.373 54.173 54.000 -0.333 0.000 0.851 60 D CB 0.055 40.745 40.800 -0.183 0.000 0.943 60 D HN 0.234 nan 8.370 nan 0.000 0.488 61 L N 0.759 121.846 121.223 -0.227 0.000 2.200 61 L HA 0.058 4.398 4.340 -0.000 0.000 0.200 61 L C 1.971 178.613 176.870 -0.379 0.000 1.072 61 L CA 1.301 56.054 54.840 -0.146 0.000 0.787 61 L CB -0.392 41.701 42.059 0.057 0.000 0.957 61 L HN -0.268 nan 8.230 nan 0.000 0.459 62 K N -0.259 119.761 120.400 -0.632 0.000 2.152 62 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 62 K C 1.972 178.349 176.600 -0.373 0.000 1.048 62 K CA 1.750 57.639 56.287 -0.663 0.000 0.933 62 K CB -0.175 31.727 32.500 -0.997 0.000 0.721 62 K HN 0.612 nan 8.250 nan 0.000 0.447 63 S N -0.024 115.481 115.700 -0.325 0.000 2.436 63 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 63 S C 1.205 175.678 174.600 -0.211 0.000 1.014 63 S CA -0.137 57.921 58.200 -0.237 0.000 0.950 63 S CB -0.084 62.981 63.200 -0.226 0.000 0.784 63 S HN 0.222 nan 8.310 nan 0.000 0.504 64 R N 0.433 120.784 120.500 -0.249 0.000 2.738 64 R HA 0.674 5.014 4.340 -0.000 0.000 0.275 64 R C -0.354 175.874 176.300 -0.120 0.000 1.121 64 R CA 0.038 56.024 56.100 -0.191 0.000 1.207 64 R CB 0.401 30.556 30.300 -0.243 0.000 1.141 64 R HN 0.483 nan 8.270 nan 0.000 0.571 65 I N -0.054 120.477 120.570 -0.066 0.000 2.918 65 I HA 0.417 4.587 4.170 -0.000 0.000 0.301 65 I C -0.014 176.099 176.117 -0.007 0.000 1.312 65 I CA 0.178 61.456 61.300 -0.036 0.000 1.007 65 I CB 1.860 39.847 38.000 -0.022 0.000 1.281 65 I HN 0.818 nan 8.210 nan 0.000 0.440 66 G N 4.608 113.408 108.800 0.001 0.000 2.575 66 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 66 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 66 G C 0.476 175.394 174.900 0.031 0.000 1.264 66 G CA 0.462 45.571 45.100 0.015 0.000 0.935 66 G HN 0.658 nan 8.290 nan 0.000 0.568 67 Q N -0.197 119.624 119.800 0.035 0.000 2.135 67 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 67 Q C 2.546 178.585 176.000 0.066 0.000 0.981 67 Q CA 2.110 57.943 55.803 0.050 0.000 0.856 67 Q CB -0.350 28.412 28.738 0.041 0.000 0.902 67 Q HN 0.799 nan 8.270 nan 0.000 0.425 68 E N 0.228 120.460 120.200 0.053 0.000 2.209 68 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 68 E C 1.911 178.569 176.600 0.097 0.000 0.993 68 E CA 1.025 57.463 56.400 0.063 0.000 0.819 68 E CB 0.151 29.869 29.700 0.031 0.000 0.745 68 E HN 0.361 nan 8.360 nan 0.000 0.477 69 Q N 0.158 120.006 119.800 0.079 0.000 2.123 69 Q HA -0.065 4.275 4.340 -0.000 0.000 0.196 69 Q C 2.291 178.409 176.000 0.196 0.000 0.958 69 Q CA 0.456 56.323 55.803 0.107 0.000 0.841 69 Q CB 0.014 28.763 28.738 0.017 0.000 0.915 69 Q HN 0.340 nan 8.270 nan 0.000 0.455 70 L N 0.537 121.850 121.223 0.150 0.000 2.046 70 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 70 L C 2.252 179.244 176.870 0.203 0.000 1.077 70 L CA 1.493 56.445 54.840 0.186 0.000 0.747 70 L CB -0.069 42.067 42.059 0.127 0.000 0.896 70 L HN 0.382 nan 8.230 nan 0.000 0.432 71 Q N -1.293 118.605 119.800 0.163 0.000 2.167 71 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 71 Q C 1.961 178.058 176.000 0.162 0.000 0.970 71 Q CA 1.727 57.611 55.803 0.134 0.000 0.855 71 Q CB -0.144 28.661 28.738 0.111 0.000 0.911 71 Q HN 0.497 nan 8.270 nan 0.000 0.438 72 F N -0.140 119.868 119.950 0.096 0.000 2.186 72 F HA -0.237 4.289 4.527 -0.000 0.000 0.299 72 F C 2.033 177.939 175.800 0.175 0.000 1.090 72 F CA 1.024 59.087 58.000 0.105 0.000 1.307 72 F CB -0.217 38.818 39.000 0.059 0.000 1.019 72 F HN 0.061 nan 8.300 nan 0.000 0.489 73 Y N 1.616 121.937 120.300 0.034 0.000 2.181 73 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 73 Y C 2.492 178.333 175.900 -0.098 0.000 1.146 73 Y CA 1.837 59.915 58.100 -0.036 0.000 1.164 73 Y CB -0.700 37.805 38.460 0.074 0.000 0.982 73 Y HN 0.016 nan 8.280 nan 0.000 0.515 74 R N 0.626 121.069 120.500 -0.095 0.000 2.081 74 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 74 R C 1.500 177.690 176.300 -0.183 0.000 1.131 74 R CA 1.174 57.168 56.100 -0.176 0.000 0.960 74 R CB -0.312 29.953 30.300 -0.059 0.000 0.856 74 R HN 0.192 nan 8.270 nan 0.000 0.436 78 V N 0.013 119.813 119.914 -0.190 0.000 2.379 78 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 78 V C 2.146 178.141 176.094 -0.164 0.000 1.044 78 V CA 2.476 64.689 62.300 -0.145 0.000 1.036 78 V CB -0.474 31.278 31.823 -0.119 0.000 0.664 78 V HN 0.454 nan 8.190 nan 0.000 0.453 79 H N -0.295 118.577 119.070 -0.331 0.000 2.387 79 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 79 H C 2.082 177.206 175.328 -0.340 0.000 1.090 79 H CA 1.644 57.439 56.048 -0.421 0.000 1.332 79 H CB 0.022 29.259 29.762 -0.875 0.000 1.386 79 H HN 0.303 nan 8.280 nan 0.000 0.516 80 L N -1.221 119.886 121.223 -0.193 0.000 2.131 80 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 80 L C 2.455 179.325 176.870 -0.000 0.000 1.087 80 L CA 0.874 55.633 54.840 -0.135 0.000 0.767 80 L CB -0.203 41.617 42.059 -0.398 0.000 0.917 80 L HN 0.368 nan 8.230 nan 0.000 0.441 81 G N -0.373 108.431 108.800 0.007 0.000 3.061 81 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 81 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 81 G C 0.261 175.179 174.900 0.031 0.000 1.175 81 G CA -0.004 45.145 45.100 0.081 0.000 0.812 81 G HN 0.336 nan 8.290 nan 0.000 0.523 82 E N 0.879 121.049 120.200 -0.049 0.000 2.528 82 E HA 0.357 4.706 4.350 -0.000 0.000 0.277 82 E C -1.676 174.852 176.600 -0.120 0.000 0.980 82 E CA -0.581 55.775 56.400 -0.074 0.000 0.796 82 E CB 1.359 30.991 29.700 -0.114 0.000 1.427 82 E HN 0.500 nan 8.360 nan 0.000 0.394 83 D N -0.301 120.063 120.400 -0.059 0.000 2.808 83 D HA -0.027 4.613 4.640 -0.000 0.000 0.294 83 D C 0.006 176.295 176.300 -0.018 0.000 1.278 83 D CA -0.655 53.311 54.000 -0.056 0.000 0.756 83 D CB 0.276 41.041 40.800 -0.057 0.000 1.271 83 D HN 0.113 nan 8.370 nan 0.000 0.425 84 D N -1.007 119.387 120.400 -0.011 0.000 2.269 84 D HA -0.030 4.610 4.640 -0.000 0.000 0.208 84 D C 0.455 176.761 176.300 0.011 0.000 0.963 84 D CA 0.793 54.792 54.000 -0.002 0.000 0.864 84 D CB 0.133 40.932 40.800 -0.001 0.000 0.936 84 D HN 0.241 nan 8.370 nan 0.000 0.505 85 K N 0.941 121.356 120.400 0.025 0.000 3.277 85 K HA 0.024 4.344 4.320 -0.000 0.000 0.291 85 K C 1.209 177.840 176.600 0.051 0.000 0.994 85 K CA 0.010 56.324 56.287 0.045 0.000 1.147 85 K CB 0.031 32.572 32.500 0.069 0.000 1.185 85 K HN -0.016 nan 8.250 nan 0.000 0.422 86 K N 0.332 120.748 120.400 0.027 0.000 2.397 86 K HA -0.237 4.083 4.320 -0.000 0.000 0.202 86 K C 1.459 178.074 176.600 0.026 0.000 1.043 86 K CA 1.058 57.354 56.287 0.014 0.000 0.934 86 K CB -0.419 32.074 32.500 -0.012 0.000 0.743 86 K HN 0.400 nan 8.250 nan 0.000 0.485 87 L N 0.222 121.474 121.223 0.049 0.000 1.955 87 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 87 L C 2.211 179.130 176.870 0.082 0.000 1.072 87 L CA 1.493 56.371 54.840 0.065 0.000 0.755 87 L CB -0.293 41.825 42.059 0.098 0.000 0.888 87 L HN -0.055 nan 8.230 nan 0.000 0.432 88 V N -0.334 119.668 119.914 0.147 0.000 2.453 88 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 88 V C 2.327 178.531 176.094 0.182 0.000 1.048 88 V CA 1.708 64.133 62.300 0.209 0.000 1.049 88 V CB -0.742 31.277 31.823 0.327 0.000 0.672 88 V HN 0.614 nan 8.190 nan 0.000 0.457 89 Q N 2.224 122.108 119.800 0.140 0.000 2.152 89 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 89 Q C 1.931 177.979 176.000 0.079 0.000 0.985 89 Q CA 2.669 58.547 55.803 0.125 0.000 0.863 89 Q CB -0.683 28.096 28.738 0.067 0.000 0.904 89 Q HN 0.520 nan 8.270 nan 0.000 0.422 90 A N -0.073 122.747 122.820 0.001 0.000 2.125 90 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 90 A C 2.033 179.548 177.584 -0.115 0.000 1.156 90 A CA 1.331 53.331 52.037 -0.062 0.000 0.671 90 A CB -0.239 18.713 19.000 -0.080 0.000 0.794 90 A HN 0.305 nan 8.150 nan 0.000 0.459 91 V N -2.565 117.229 119.914 -0.199 0.000 3.471 91 V HA 0.089 4.209 4.120 -0.000 0.000 0.258 91 V C 1.018 176.687 176.094 -0.709 0.000 1.192 91 V CA 0.894 62.887 62.300 -0.513 0.000 1.116 91 V CB -0.531 30.788 31.823 -0.840 0.000 0.792 91 V HN 0.572 nan 8.190 nan 0.000 0.459 92 F N -1.393 118.519 119.950 -0.063 0.000 2.724 92 F HA 0.345 4.872 4.527 -0.000 0.000 0.310 92 F C 0.940 176.731 175.800 -0.015 0.000 1.107 92 F CA -0.514 57.460 58.000 -0.043 0.000 1.218 92 F CB 0.182 39.159 39.000 -0.038 0.000 1.042 92 F HN 0.123 nan 8.300 nan 0.000 0.540 93 H N 1.943 121.022 119.070 0.016 0.000 2.848 93 H HA 0.068 4.624 4.556 -0.000 0.000 0.317 93 H C 0.480 175.796 175.328 -0.020 0.000 1.046 93 H CA 0.708 56.753 56.048 -0.005 0.000 1.470 93 H CB 0.162 29.907 29.762 -0.028 0.000 1.483 93 H HN 0.454 nan 8.280 nan 0.000 0.548 94 N N 2.651 121.062 118.700 -0.482 0.000 2.741 94 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 94 N C -0.897 174.518 175.510 -0.158 0.000 1.112 94 N CA 0.324 53.153 53.050 -0.369 0.000 0.750 94 N CB -0.500 37.721 38.487 -0.443 0.000 1.119 94 N HN 0.175 nan 8.380 nan 0.000 0.561 95 V N 1.016 120.880 119.914 -0.083 0.000 2.481 95 V HA 0.618 4.738 4.120 -0.000 0.000 0.286 95 V C 0.392 176.466 176.094 -0.035 0.000 1.042 95 V CA -0.189 62.096 62.300 -0.025 0.000 0.928 95 V CB 1.714 33.570 31.823 0.055 0.000 0.986 95 V HN 0.306 nan 8.190 nan 0.000 0.462 96 S N 1.782 117.459 115.700 -0.038 0.000 2.537 96 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 96 S C -0.638 173.942 174.600 -0.034 0.000 1.142 96 S CA -0.696 57.463 58.200 -0.068 0.000 0.870 96 S CB 1.774 64.935 63.200 -0.064 0.000 1.112 96 S HN 0.713 nan 8.310 nan 0.000 0.466 97 T N 0.810 115.330 114.554 -0.057 0.000 2.913 97 T HA 0.522 4.872 4.350 -0.000 0.000 0.287 97 T C 1.008 175.749 174.700 0.068 0.000 1.008 97 T CA 0.251 62.387 62.100 0.060 0.000 1.067 97 T CB 0.604 69.582 68.868 0.184 0.000 0.996 97 T HN 1.037 nan 8.240 nan 0.000 0.513 98 T N 2.215 116.827 114.554 0.097 0.000 3.215 98 T HA 0.399 4.749 4.350 -0.000 0.000 0.271 98 T C 0.538 175.294 174.700 0.093 0.000 1.012 98 T CA -0.405 61.741 62.100 0.076 0.000 0.899 98 T CB -0.615 68.291 68.868 0.063 0.000 1.089 98 T HN 0.525 nan 8.240 nan 0.000 0.552 99 I N 2.359 123.002 120.570 0.122 0.000 2.428 99 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 99 I C 1.121 177.295 176.117 0.095 0.000 1.019 99 I CA -0.386 60.983 61.300 0.115 0.000 1.351 99 I CB 1.592 39.678 38.000 0.144 0.000 1.412 99 I HN 0.263 nan 8.210 nan 0.000 0.513 100 T N 1.468 116.066 114.554 0.074 0.000 2.989 100 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 100 T C 0.506 175.239 174.700 0.054 0.000 0.981 100 T CA -0.231 61.905 62.100 0.061 0.000 0.980 100 T CB 0.104 69.002 68.868 0.050 0.000 1.133 100 T HN 0.458 nan 8.240 nan 0.000 0.489 101 E N 3.513 123.743 120.200 0.051 0.000 2.070 101 E HA 0.121 4.471 4.350 -0.000 0.000 0.282 101 E C -1.572 175.051 176.600 0.039 0.000 1.104 101 E CA -2.056 54.368 56.400 0.041 0.000 0.876 101 E CB 1.146 30.867 29.700 0.036 0.000 1.055 101 E HN 0.222 nan 8.360 nan 0.000 0.401 102 P HA -0.216 nan 4.420 nan 0.000 0.217 102 P C 0.651 177.964 177.300 0.022 0.000 1.148 102 P CA 1.289 64.410 63.100 0.035 0.000 0.828 102 P CB 0.321 32.041 31.700 0.034 0.000 0.783 103 K N -0.722 119.689 120.400 0.018 0.000 2.217 103 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 103 K C 2.360 178.965 176.600 0.008 0.000 1.051 103 K CA 0.785 57.079 56.287 0.011 0.000 0.952 103 K CB -0.125 32.382 32.500 0.012 0.000 0.736 103 K HN 0.104 nan 8.250 nan 0.000 0.453 104 Q N 0.789 120.597 119.800 0.013 0.000 2.123 104 Q HA -0.055 4.285 4.340 -0.000 0.000 0.199 104 Q C 2.100 178.100 176.000 0.001 0.000 0.966 104 Q CA 0.973 56.782 55.803 0.010 0.000 0.845 104 Q CB -0.136 28.613 28.738 0.019 0.000 0.907 104 Q HN 0.392 nan 8.270 nan 0.000 0.439 105 I N 0.471 121.041 120.570 -0.000 0.000 2.252 105 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 105 I C 1.565 177.652 176.117 -0.050 0.000 1.102 105 I CA 1.206 62.488 61.300 -0.030 0.000 1.385 105 I CB -0.002 37.981 38.000 -0.028 0.000 1.064 105 I HN 0.127 nan 8.210 nan 0.000 0.414 106 T N 1.249 115.782 114.554 -0.035 0.000 2.759 106 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 106 T C 1.856 176.537 174.700 -0.033 0.000 1.042 106 T CA 1.422 63.497 62.100 -0.043 0.000 1.140 106 T CB -0.381 68.471 68.868 -0.026 0.000 0.864 106 T HN 0.560 nan 8.240 nan 0.000 0.455 107 A N 0.454 123.264 122.820 -0.017 0.000 2.014 107 A HA 0.185 4.505 4.320 -0.000 0.000 0.218 107 A C 2.235 179.817 177.584 -0.004 0.000 1.163 107 A CA 0.734 52.766 52.037 -0.008 0.000 0.652 107 A CB -0.542 18.456 19.000 -0.003 0.000 0.808 107 A HN 0.468 nan 8.150 nan 0.000 0.449 108 L N -0.622 120.596 121.223 -0.009 0.000 2.071 108 L HA -0.078 4.262 4.340 -0.000 0.000 0.201 108 L C 2.466 179.355 176.870 0.031 0.000 1.076 108 L CA 1.033 55.876 54.840 0.005 0.000 0.755 108 L CB -0.262 41.793 42.059 -0.006 0.000 0.915 108 L HN 0.232 nan 8.230 nan 0.000 0.445 109 V N 0.213 120.125 119.914 -0.004 0.000 2.324 109 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 109 V C 2.718 178.848 176.094 0.060 0.000 1.060 109 V CA 2.151 64.458 62.300 0.011 0.000 1.042 109 V CB -0.804 30.910 31.823 -0.182 0.000 0.650 109 V HN 0.676 nan 8.190 nan 0.000 0.450 110 S N -0.980 114.724 115.700 0.006 0.000 2.406 110 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 110 S C 1.216 175.851 174.600 0.057 0.000 1.020 110 S CA 0.381 58.596 58.200 0.025 0.000 0.965 110 S CB -0.505 62.691 63.200 -0.007 0.000 0.798 110 S HN 0.612 nan 8.310 nan 0.000 0.488 114 S N 1.436 117.182 115.700 0.077 0.000 2.618 114 S HA 0.361 4.831 4.470 -0.000 0.000 0.242 114 S C 0.819 175.413 174.600 -0.009 0.000 0.972 114 S CA -0.647 57.564 58.200 0.018 0.000 1.004 114 S CB -0.510 62.698 63.200 0.013 0.000 0.778 114 S HN 0.464 nan 8.310 nan 0.000 0.459 115 L N 0.405 121.627 121.223 -0.002 0.000 2.431 115 L HA 0.666 5.006 4.340 -0.000 0.000 0.260 115 L C -0.284 176.547 176.870 -0.064 0.000 1.098 115 L CA -0.906 53.928 54.840 -0.011 0.000 0.800 115 L CB 0.779 42.852 42.059 0.024 0.000 1.210 115 L HN 0.171 nan 8.230 nan 0.000 0.465 116 D N -0.027 120.344 120.400 -0.048 0.000 2.440 116 D HA 0.212 4.851 4.640 -0.000 0.000 0.258 116 D C -0.175 176.172 176.300 0.078 0.000 1.092 116 D CA -0.605 53.334 54.000 -0.103 0.000 1.016 116 D CB 0.523 41.280 40.800 -0.073 0.000 1.141 116 D HN 0.753 nan 8.370 nan 0.000 0.552 151 Y N 1.510 121.816 120.300 0.010 0.000 2.790 151 Y HA 0.252 4.802 4.550 -0.000 0.000 0.348 151 Y C -0.303 175.618 175.900 0.036 0.000 1.183 151 Y CA -0.307 57.783 58.100 -0.017 0.000 2.002 151 Y CB -0.069 38.373 38.460 -0.031 0.000 2.086 151 Y HN 0.322 nan 8.280 nan 0.000 0.412 152 F N 0.877 120.848 119.950 0.035 0.000 2.547 152 F HA 0.578 5.104 4.527 -0.000 0.000 0.316 152 F C -0.901 174.882 175.800 -0.028 0.000 1.121 152 F CA -0.751 57.176 58.000 -0.122 0.000 0.911 152 F CB 1.648 40.396 39.000 -0.420 0.000 1.179 152 F HN -0.196 nan 8.300 nan 0.000 0.443 153 T N 6.511 120.394 114.554 -1.119 0.000 2.928 153 T HA 0.357 4.707 4.350 -0.000 0.000 0.296 153 T C -2.891 171.054 174.700 -1.258 0.000 1.000 153 T CA -1.365 60.163 62.100 -0.954 0.000 0.989 153 T CB 1.799 70.463 68.868 -0.340 0.000 1.005 153 T HN 0.309 nan 8.240 nan 0.000 0.442 154 P HA 0.025 nan 4.420 nan 0.000 0.256 154 P C 1.127 178.203 177.300 -0.373 0.000 1.173 154 P CA -0.061 62.675 63.100 -0.607 0.000 0.768 154 P CB 0.458 31.945 31.700 -0.354 0.000 0.758 155 R N 7.453 127.795 120.500 -0.263 0.000 2.112 155 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 155 R C -0.734 175.461 176.300 -0.175 0.000 1.137 155 R CA 2.441 58.417 56.100 -0.207 0.000 0.944 155 R CB -2.032 28.204 30.300 -0.107 0.000 0.857 155 R HN 0.435 nan 8.270 nan 0.000 0.435 156 P HA -0.157 nan 4.420 nan 0.000 0.221 156 P C 1.522 178.767 177.300 -0.090 0.000 1.145 156 P CA 0.947 63.967 63.100 -0.133 0.000 0.795 156 P CB -0.119 31.455 31.700 -0.210 0.000 0.775 157 L N -0.616 120.570 121.223 -0.061 0.000 2.095 157 L HA 0.010 4.350 4.340 -0.000 0.000 0.204 157 L C 2.595 179.428 176.870 -0.062 0.000 1.080 157 L CA 1.307 56.147 54.840 -0.000 0.000 0.759 157 L CB -1.002 41.046 42.059 -0.018 0.000 0.914 157 L HN -0.212 nan 8.230 nan 0.000 0.439 158 I N -0.337 120.085 120.570 -0.246 0.000 2.113 158 I HA -0.339 3.831 4.170 -0.000 0.000 0.238 158 I C 2.553 178.546 176.117 -0.207 0.000 1.070 158 I CA 1.639 62.675 61.300 -0.440 0.000 1.332 158 I CB -0.522 37.056 38.000 -0.704 0.000 1.044 158 I HN 0.322 nan 8.210 nan 0.000 0.402 159 K N 0.794 121.095 120.400 -0.164 0.000 2.034 159 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 159 K C 2.055 178.646 176.600 -0.015 0.000 1.051 159 K CA 2.537 58.772 56.287 -0.085 0.000 0.931 159 K CB -0.241 32.202 32.500 -0.095 0.000 0.715 159 K HN 0.262 nan 8.250 nan 0.000 0.446 160 T N 1.711 116.263 114.554 -0.004 0.000 2.720 160 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 160 T C 1.918 176.686 174.700 0.114 0.000 1.037 160 T CA 1.598 63.735 62.100 0.063 0.000 1.144 160 T CB -0.159 68.759 68.868 0.083 0.000 0.864 160 T HN 0.226 nan 8.240 nan 0.000 0.444 161 I N 0.237 120.895 120.570 0.147 0.000 2.179 161 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 161 I C 2.102 178.290 176.117 0.119 0.000 1.088 161 I CA 1.174 62.606 61.300 0.221 0.000 1.357 161 I CB -0.293 37.899 38.000 0.320 0.000 1.051 161 I HN 0.170 nan 8.210 nan 0.000 0.409 162 I N 0.096 120.704 120.570 0.063 0.000 2.394 162 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 162 I C 2.491 178.463 176.117 -0.242 0.000 1.136 162 I CA 1.509 62.776 61.300 -0.054 0.000 1.425 162 I CB -0.807 37.168 38.000 -0.042 0.000 1.079 162 I HN 0.230 nan 8.210 nan 0.000 0.425 163 H N 0.297 119.232 119.070 -0.224 0.000 2.389 163 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 163 H C 1.961 177.139 175.328 -0.250 0.000 1.081 163 H CA 1.678 57.580 56.048 -0.243 0.000 1.345 163 H CB -0.033 29.673 29.762 -0.094 0.000 1.393 163 H HN 0.263 nan 8.280 nan 0.000 0.520 164 L N -0.427 120.623 121.223 -0.289 0.000 2.418 164 L HA 0.008 4.348 4.340 -0.000 0.000 0.218 164 L C 1.909 178.644 176.870 -0.224 0.000 1.125 164 L CA 0.283 54.883 54.840 -0.399 0.000 0.835 164 L CB 0.013 41.694 42.059 -0.630 0.000 0.953 164 L HN 0.288 nan 8.230 nan 0.000 0.454 165 L N -0.585 120.538 121.223 -0.167 0.000 2.307 165 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 165 L C 0.550 177.306 176.870 -0.190 0.000 1.099 165 L CA 0.162 54.935 54.840 -0.112 0.000 0.816 165 L CB -0.063 41.962 42.059 -0.058 0.000 0.952 165 L HN 0.137 nan 8.230 nan 0.000 0.455 166 K N 0.370 120.549 120.400 -0.368 0.000 3.689 166 K HA -0.148 4.171 4.320 -0.000 0.000 0.276 166 K C -2.282 174.237 176.600 -0.135 0.000 0.932 166 K CA -0.221 55.827 56.287 -0.398 0.000 0.758 166 K CB -1.446 30.964 32.500 -0.150 0.000 1.500 166 K HN 0.231 nan 8.250 nan 0.000 0.448 167 P HA -0.043 nan 4.420 nan 0.000 0.267 167 P C -0.273 177.141 177.300 0.190 0.000 1.205 167 P CA 0.377 63.522 63.100 0.075 0.000 0.765 167 P CB 0.836 32.616 31.700 0.133 0.000 0.828 168 Q N 3.621 123.497 119.800 0.126 0.000 2.215 168 Q HA 0.453 4.793 4.340 -0.000 0.000 0.256 168 Q C -2.074 173.983 176.000 0.095 0.000 0.972 168 Q CA -2.167 53.705 55.803 0.114 0.000 0.889 168 Q CB 0.622 29.393 28.738 0.055 0.000 1.281 168 Q HN 0.406 nan 8.270 nan 0.000 0.456 169 P HA 0.080 nan 4.420 nan 0.000 0.270 169 P C 0.056 177.366 177.300 0.017 0.000 1.223 169 P CA 0.073 63.226 63.100 0.089 0.000 0.785 169 P CB 0.719 32.469 31.700 0.083 0.000 0.923 170 R N -2.005 118.523 120.500 0.046 0.000 3.840 170 R HA -0.128 4.212 4.340 -0.000 0.000 0.464 170 R C -0.263 175.986 176.300 -0.085 0.000 0.986 170 R CA 1.108 57.052 56.100 -0.260 0.000 1.305 170 R CB -1.699 28.383 30.300 -0.364 0.000 1.950 170 R HN 0.681 nan 8.270 nan 0.000 0.526 171 E N 0.960 121.203 120.200 0.072 0.000 2.197 171 E HA 0.346 4.696 4.350 -0.000 0.000 0.281 171 E C -0.272 176.502 176.600 0.290 0.000 0.995 171 E CA -0.528 55.947 56.400 0.126 0.000 0.808 171 E CB 1.939 31.664 29.700 0.042 0.000 1.093 171 E HN -0.145 nan 8.360 nan 0.000 0.394 172 V N 4.173 124.402 119.914 0.524 0.000 2.408 172 V HA 0.077 4.196 4.120 -0.000 0.000 0.267 172 V C -0.018 176.127 176.094 0.085 0.000 1.047 172 V CA -0.439 61.972 62.300 0.186 0.000 0.937 172 V CB 1.018 32.942 31.823 0.168 0.000 0.999 172 V HN 0.397 nan 8.190 nan 0.000 0.472 173 V N 6.007 125.909 119.914 -0.020 0.000 2.370 173 V HA 0.389 4.508 4.120 -0.000 0.000 0.279 173 V C 0.084 176.231 176.094 0.089 0.000 1.029 173 V CA -0.392 61.957 62.300 0.082 0.000 0.870 173 V CB 1.280 33.239 31.823 0.227 0.000 0.984 173 V HN 0.929 nan 8.190 nan 0.000 0.451 174 Q N 3.015 122.847 119.800 0.054 0.000 2.257 174 Q HA 0.445 4.785 4.340 -0.000 0.000 0.262 174 Q C -1.468 174.549 176.000 0.028 0.000 0.997 174 Q CA -0.657 55.172 55.803 0.042 0.000 0.873 174 Q CB 2.064 30.818 28.738 0.026 0.000 1.312 174 Q HN 0.744 nan 8.270 nan 0.000 0.450 175 D N 3.390 123.804 120.400 0.022 0.000 2.358 175 D HA 0.274 4.914 4.640 -0.000 0.000 0.253 175 D C -2.205 174.090 176.300 -0.009 0.000 1.288 175 D CA -1.829 52.157 54.000 -0.023 0.000 0.950 175 D CB 1.844 42.627 40.800 -0.027 0.000 1.197 175 D HN 0.301 nan 8.370 nan 0.000 0.550 176 P HA -0.025 nan 4.420 nan 0.000 0.219 176 P C 0.155 177.518 177.300 0.104 0.000 1.146 176 P CA 0.827 63.961 63.100 0.058 0.000 0.808 176 P CB 0.418 32.212 31.700 0.157 0.000 0.779 177 A N -1.479 121.345 122.820 0.007 0.000 3.201 177 A HA 0.645 4.965 4.320 -0.000 0.000 0.312 177 A C 1.536 178.983 177.584 -0.229 0.000 1.011 177 A CA 0.157 52.136 52.037 -0.095 0.000 0.987 177 A CB -0.478 18.394 19.000 -0.213 0.000 1.060 177 A HN 0.053 nan 8.150 nan 0.000 0.505 178 A N 0.488 123.205 122.820 -0.171 0.000 1.909 178 A HA 0.166 4.486 4.320 -0.000 0.000 0.221 178 A C 2.325 179.732 177.584 -0.294 0.000 1.223 178 A CA 2.550 54.486 52.037 -0.169 0.000 0.658 178 A CB -1.054 17.878 19.000 -0.114 0.000 0.831 178 A HN 2.399 nan 8.150 nan 0.000 0.462 179 G N -2.291 106.190 108.800 -0.532 0.000 2.565 179 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.295 179 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.295 179 G C 0.918 175.631 174.900 -0.312 0.000 1.165 179 G CA 1.704 46.343 45.100 -0.767 0.000 0.977 179 G HN 1.718 nan 8.290 nan 0.000 0.546 180 T N -1.389 113.049 114.554 -0.194 0.000 3.244 180 T HA 0.622 4.972 4.350 -0.000 0.000 0.254 180 T C 1.365 176.008 174.700 -0.095 0.000 1.024 180 T CA 1.518 63.558 62.100 -0.098 0.000 0.920 180 T CB 0.138 68.977 68.868 -0.048 0.000 1.042 180 T HN 2.585 nan 8.240 nan 0.000 0.572 181 A N 0.112 122.868 122.820 -0.106 0.000 2.872 181 A HA -0.111 4.209 4.320 -0.000 0.000 0.273 181 A C 1.811 179.330 177.584 -0.107 0.000 1.442 181 A CA 0.972 52.957 52.037 -0.086 0.000 0.801 181 A CB -2.360 16.588 19.000 -0.087 0.000 1.031 181 A HN 0.939 nan 8.150 nan 0.000 0.582 182 G N -1.150 107.584 108.800 -0.109 0.000 2.446 182 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.217 182 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.217 182 G C 1.099 175.849 174.900 -0.250 0.000 1.168 182 G CA 1.597 46.574 45.100 -0.204 0.000 0.771 182 G HN 0.659 nan 8.290 nan 0.000 0.551 183 F N 0.522 120.387 119.950 -0.142 0.000 2.206 183 F HA 0.149 4.676 4.527 -0.000 0.000 0.298 183 F C 2.618 178.347 175.800 -0.119 0.000 1.090 183 F CA 0.613 58.544 58.000 -0.115 0.000 1.323 183 F CB -0.215 38.732 39.000 -0.088 0.000 1.028 183 F HN 0.017 nan 8.300 nan 0.000 0.492 184 L N -0.900 120.349 121.223 0.044 0.000 2.027 184 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 184 L C 2.306 178.974 176.870 -0.337 0.000 1.074 184 L CA 0.829 55.617 54.840 -0.087 0.000 0.745 184 L CB -0.636 41.388 42.059 -0.058 0.000 0.898 184 L HN 0.056 nan 8.230 nan 0.000 0.433 185 I N 0.251 120.629 120.570 -0.319 0.000 2.163 185 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 185 I C 2.597 178.501 176.117 -0.355 0.000 1.085 185 I CA 1.404 62.439 61.300 -0.442 0.000 1.347 185 I CB -0.426 37.250 38.000 -0.539 0.000 1.044 185 I HN 0.229 nan 8.210 nan 0.000 0.408 186 E N 0.656 120.704 120.200 -0.252 0.000 2.106 186 E HA -0.141 4.208 4.350 -0.000 0.000 0.192 186 E C 2.199 178.763 176.600 -0.061 0.000 0.984 186 E CA 1.459 57.765 56.400 -0.156 0.000 0.806 186 E CB -0.284 29.312 29.700 -0.173 0.000 0.750 186 E HN 0.421 nan 8.360 nan 0.000 0.458 187 A N 0.435 123.220 122.820 -0.058 0.000 1.930 187 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 187 A C 2.087 179.714 177.584 0.071 0.000 1.175 187 A CA 1.839 53.925 52.037 0.081 0.000 0.627 187 A CB -0.790 18.334 19.000 0.208 0.000 0.815 187 A HN 0.397 nan 8.150 nan 0.000 0.443 188 D N -0.753 119.452 120.400 -0.325 0.000 2.117 188 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 188 D C 2.115 178.383 176.300 -0.054 0.000 0.982 188 D CA 1.274 55.068 54.000 -0.344 0.000 0.828 188 D CB -0.187 40.154 40.800 -0.765 0.000 0.967 188 D HN 0.390 nan 8.370 nan 0.000 0.464 189 R N -1.175 119.283 120.500 -0.070 0.000 2.081 189 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 189 R C 2.216 178.548 176.300 0.052 0.000 1.131 189 R CA 1.296 57.391 56.100 -0.009 0.000 0.960 189 R CB -0.551 29.731 30.300 -0.030 0.000 0.856 189 R HN 0.349 nan 8.270 nan 0.000 0.436 190 Y N 0.659 120.957 120.300 -0.003 0.000 2.145 190 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 190 Y C 2.072 178.006 175.900 0.057 0.000 1.145 190 Y CA 1.735 59.855 58.100 0.034 0.000 1.148 190 Y CB -0.236 38.255 38.460 0.053 0.000 0.981 190 Y HN -0.161 nan 8.280 nan 0.000 0.507 191 V N 0.654 120.716 119.914 0.247 0.000 2.343 191 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 191 V C 2.198 178.323 176.094 0.052 0.000 1.051 191 V CA 2.348 64.758 62.300 0.182 0.000 1.036 191 V CB -0.581 31.423 31.823 0.302 0.000 0.654 191 V HN 0.335 nan 8.190 nan 0.000 0.451 192 K N 0.754 121.182 120.400 0.048 0.000 2.148 192 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 192 K C 2.203 178.779 176.600 -0.039 0.000 1.050 192 K CA 1.552 57.848 56.287 0.015 0.000 0.942 192 K CB -0.292 32.221 32.500 0.022 0.000 0.724 192 K HN 0.629 nan 8.250 nan 0.000 0.446 193 S N 0.432 116.075 115.700 -0.095 0.000 2.603 193 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 193 S C 1.307 175.804 174.600 -0.171 0.000 0.972 193 S CA 0.579 58.699 58.200 -0.134 0.000 0.935 193 S CB 0.124 63.219 63.200 -0.175 0.000 0.769 193 S HN 0.177 nan 8.310 nan 0.000 0.536 194 Q N 0.872 120.568 119.800 -0.172 0.000 2.189 194 Q HA 0.173 4.513 4.340 -0.000 0.000 0.223 194 Q C 0.609 176.571 176.000 -0.063 0.000 0.828 194 Q CA 0.765 56.481 55.803 -0.146 0.000 0.967 194 Q CB 1.021 29.641 28.738 -0.196 0.000 1.139 194 Q HN 0.821 nan 8.270 nan 0.000 0.497 195 T N -3.777 110.753 114.554 -0.039 0.000 3.541 195 T HA 0.194 4.544 4.350 -0.000 0.000 0.309 195 T C -0.123 174.574 174.700 -0.005 0.000 0.973 195 T CA -0.494 61.600 62.100 -0.009 0.000 0.993 195 T CB -0.324 68.555 68.868 0.017 0.000 1.206 195 T HN 0.096 nan 8.240 nan 0.000 0.489 196 N N 3.388 122.078 118.700 -0.017 0.000 2.714 196 N HA -0.144 4.596 4.740 -0.000 0.000 0.253 196 N C -0.732 174.778 175.510 -0.000 0.000 1.024 196 N CA 1.051 54.095 53.050 -0.011 0.000 0.726 196 N CB -1.345 37.138 38.487 -0.007 0.000 0.908 196 N HN 0.605 nan 8.380 nan 0.000 0.542 197 D N -0.446 119.955 120.400 0.001 0.000 2.708 197 D HA -0.238 4.402 4.640 -0.000 0.000 0.236 197 D C 0.670 176.986 176.300 0.027 0.000 1.146 197 D CA 1.296 55.304 54.000 0.014 0.000 0.662 197 D CB -0.809 39.995 40.800 0.008 0.000 1.059 197 D HN 0.679 nan 8.370 nan 0.000 0.428 198 L N -2.187 119.057 121.223 0.035 0.000 5.060 198 L HA -0.281 4.059 4.340 -0.000 0.000 0.408 198 L C 1.230 178.122 176.870 0.036 0.000 0.917 198 L CA 1.385 56.254 54.840 0.047 0.000 1.627 198 L CB -1.298 40.797 42.059 0.061 0.000 1.732 198 L HN 0.115 nan 8.230 nan 0.000 0.611 199 D N 0.780 121.195 120.400 0.024 0.000 2.310 199 D HA -0.081 4.559 4.640 -0.000 0.000 0.212 199 D C 1.322 177.632 176.300 0.016 0.000 0.965 199 D CA 1.292 55.303 54.000 0.019 0.000 0.879 199 D CB 0.019 40.826 40.800 0.011 0.000 0.921 199 D HN 0.519 nan 8.370 nan 0.000 0.510 200 D N -0.169 120.240 120.400 0.015 0.000 2.349 200 D HA 0.084 4.724 4.640 -0.000 0.000 0.215 200 D C 0.575 176.884 176.300 0.015 0.000 1.016 200 D CA 0.179 54.185 54.000 0.011 0.000 0.870 200 D CB 0.467 41.270 40.800 0.005 0.000 0.917 200 D HN 0.225 nan 8.370 nan 0.000 0.524 201 L N 1.354 122.592 121.223 0.024 0.000 2.334 201 L HA 0.313 4.653 4.340 -0.000 0.000 0.272 201 L C 0.376 177.264 176.870 0.030 0.000 1.020 201 L CA -1.274 53.583 54.840 0.028 0.000 0.812 201 L CB 1.346 43.431 42.059 0.043 0.000 1.264 201 L HN -0.109 nan 8.230 nan 0.000 0.439 202 D N 1.137 121.553 120.400 0.026 0.000 2.372 202 D HA -0.006 4.634 4.640 -0.000 0.000 0.243 202 D C 1.144 177.470 176.300 0.043 0.000 1.121 202 D CA -0.048 53.968 54.000 0.027 0.000 0.898 202 D CB 1.441 42.252 40.800 0.019 0.000 1.202 202 D HN 0.697 nan 8.370 nan 0.000 0.428 203 G N 1.622 110.447 108.800 0.043 0.000 2.597 203 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.222 203 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.222 203 G C 1.164 176.108 174.900 0.074 0.000 1.135 203 G CA 1.454 46.587 45.100 0.055 0.000 0.759 203 G HN 0.690 nan 8.290 nan 0.000 0.595 204 D N -0.462 119.978 120.400 0.066 0.000 2.144 204 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 204 D C 2.534 178.908 176.300 0.122 0.000 0.978 204 D CA 1.654 55.704 54.000 0.084 0.000 0.833 204 D CB -0.299 40.534 40.800 0.055 0.000 0.961 204 D HN 0.255 nan 8.370 nan 0.000 0.470 205 T N -0.178 114.434 114.554 0.096 0.000 2.904 205 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 205 T C 1.832 176.642 174.700 0.184 0.000 1.059 205 T CA 0.886 63.059 62.100 0.122 0.000 1.137 205 T CB -0.143 68.759 68.868 0.056 0.000 0.879 205 T HN 0.302 nan 8.240 nan 0.000 0.467 206 Q N 0.770 120.652 119.800 0.137 0.000 2.119 206 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 206 Q C 1.911 178.005 176.000 0.156 0.000 0.972 206 Q CA 1.464 57.345 55.803 0.130 0.000 0.847 206 Q CB -0.218 28.576 28.738 0.094 0.000 0.903 206 Q HN 0.487 nan 8.270 nan 0.000 0.433 207 D N 0.091 120.602 120.400 0.185 0.000 2.144 207 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 207 D C 1.338 177.801 176.300 0.272 0.000 0.978 207 D CA 0.709 54.861 54.000 0.254 0.000 0.833 207 D CB -0.101 40.832 40.800 0.221 0.000 0.961 207 D HN 0.114 nan 8.370 nan 0.000 0.470 208 F N 1.265 121.284 119.950 0.114 0.000 2.102 208 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 208 F C 2.171 178.003 175.800 0.054 0.000 1.105 208 F CA 1.203 59.251 58.000 0.080 0.000 1.239 208 F CB -0.055 38.967 39.000 0.037 0.000 0.991 208 F HN -0.152 nan 8.300 nan 0.000 0.474 209 Q N 0.289 120.178 119.800 0.148 0.000 2.226 209 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 209 Q C 2.452 178.496 176.000 0.074 0.000 0.975 209 Q CA 1.618 57.474 55.803 0.088 0.000 0.866 209 Q CB -0.359 28.501 28.738 0.204 0.000 0.915 209 Q HN 0.539 nan 8.270 nan 0.000 0.440 210 I N -0.613 119.960 120.570 0.005 0.000 2.480 210 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 210 I C 1.758 177.679 176.117 -0.328 0.000 1.124 210 I CA 0.850 62.062 61.300 -0.147 0.000 1.444 210 I CB -0.050 37.803 38.000 -0.244 0.000 1.098 210 I HN 0.225 nan 8.210 nan 0.000 0.428 211 H N -0.302 118.738 119.070 -0.050 0.000 2.855 211 H HA 0.291 4.847 4.556 -0.000 0.000 0.259 211 H C 1.430 176.644 175.328 -0.190 0.000 0.972 211 H CA 0.246 56.248 56.048 -0.077 0.000 1.213 211 H CB 0.908 30.643 29.762 -0.045 0.000 1.451 211 H HN 0.238 nan 8.280 nan 0.000 0.484 212 R N -0.143 120.150 120.500 -0.346 0.000 2.517 212 R HA 0.301 4.641 4.340 -0.000 0.000 0.265 212 R C 1.954 177.774 176.300 -0.800 0.000 0.921 212 R CA 0.567 56.311 56.100 -0.593 0.000 1.054 212 R CB 0.680 30.492 30.300 -0.813 0.000 1.340 212 R HN 0.024 nan 8.270 nan 0.000 0.551 213 A N 1.180 123.461 122.820 -0.899 0.000 1.933 213 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 213 A C 0.364 177.369 177.584 -0.965 0.000 1.175 213 A CA 1.071 52.564 52.037 -0.906 0.000 0.628 213 A CB -0.089 18.305 19.000 -1.010 0.000 0.814 213 A HN 0.115 nan 8.150 nan 0.000 0.444 214 F N -0.951 118.945 119.950 -0.089 0.000 2.507 214 F HA 0.708 5.235 4.527 0.000 0.000 0.325 214 F C -0.263 175.505 175.800 -0.053 0.000 1.116 214 F CA -0.836 57.139 58.000 -0.042 0.000 0.930 214 F CB 1.552 40.535 39.000 -0.029 0.000 1.146 214 F HN -0.123 nan 8.300 nan 0.000 0.447 215 I N 1.622 122.257 120.570 0.109 0.000 2.686 215 I HA 0.743 4.913 4.170 -0.000 0.000 0.295 215 I C -0.148 175.991 176.117 0.037 0.000 1.114 215 I CA -0.718 60.604 61.300 0.038 0.000 1.038 215 I CB 2.400 40.388 38.000 -0.020 0.000 1.238 215 I HN 0.761 nan 8.210 nan 0.000 0.420 216 G N 4.307 113.113 108.800 0.009 0.000 2.680 216 G HA2 0.792 4.752 3.960 -0.000 0.000 0.290 216 G HA3 0.792 4.752 3.960 -0.000 0.000 0.290 216 G C -2.176 172.708 174.900 -0.027 0.000 1.355 216 G CA -0.529 44.567 45.100 -0.007 0.000 0.903 216 G HN 0.358 nan 8.290 nan 0.000 0.474 217 L N 0.074 121.276 121.223 -0.034 0.000 2.516 217 L HA 0.767 5.106 4.340 -0.000 0.000 0.267 217 L C -1.280 175.569 176.870 -0.035 0.000 0.957 217 L CA -0.698 54.122 54.840 -0.034 0.000 0.860 217 L CB 2.240 44.272 42.059 -0.044 0.000 1.265 217 L HN 0.606 nan 8.230 nan 0.000 0.403 218 E N 3.151 123.334 120.200 -0.028 0.000 2.234 218 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 218 E C -0.323 176.288 176.600 0.018 0.000 0.877 218 E CA -0.542 55.842 56.400 -0.028 0.000 0.758 218 E CB 1.838 31.502 29.700 -0.061 0.000 1.170 218 E HN 0.601 nan 8.360 nan 0.000 0.415 219 L N 4.229 125.487 121.223 0.059 0.000 2.068 219 L HA 0.243 4.583 4.340 -0.000 0.000 0.204 219 L C 0.032 176.941 176.870 0.065 0.000 1.076 219 L CA 1.015 55.895 54.840 0.068 0.000 0.753 219 L CB 0.289 42.407 42.059 0.099 0.000 0.910 219 L HN 0.464 nan 8.230 nan 0.000 0.439 220 V N 3.140 123.108 119.914 0.090 0.000 2.397 220 V HA 0.109 4.229 4.120 -0.000 0.000 0.262 220 V C -1.065 175.062 176.094 0.056 0.000 1.047 220 V CA -0.723 61.625 62.300 0.079 0.000 1.003 220 V CB 0.189 32.081 31.823 0.114 0.000 1.037 220 V HN 0.309 nan 8.190 nan 0.000 0.480 221 P HA -0.179 nan 4.420 nan 0.000 0.216 221 P C 1.596 178.915 177.300 0.031 0.000 1.150 221 P CA 1.869 64.988 63.100 0.031 0.000 0.843 221 P CB 0.306 32.023 31.700 0.027 0.000 0.787 222 G N -0.369 108.453 108.800 0.037 0.000 2.421 222 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 222 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 222 G C 1.582 176.505 174.900 0.038 0.000 1.171 222 G CA 1.516 46.637 45.100 0.036 0.000 0.775 222 G HN 0.212 nan 8.290 nan 0.000 0.543 223 T N 0.221 114.807 114.554 0.052 0.000 2.777 223 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 223 T C 2.306 177.012 174.700 0.010 0.000 1.040 223 T CA 1.033 63.161 62.100 0.048 0.000 1.141 223 T CB -0.133 68.789 68.868 0.090 0.000 0.868 223 T HN 0.226 nan 8.240 nan 0.000 0.444 224 R N 1.148 121.652 120.500 0.007 0.000 2.127 224 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 224 R C 2.519 178.821 176.300 0.003 0.000 1.134 224 R CA 1.334 57.431 56.100 -0.005 0.000 0.975 224 R CB -0.220 30.083 30.300 0.005 0.000 0.865 224 R HN 0.317 nan 8.270 nan 0.000 0.447 225 R N 0.467 120.974 120.500 0.012 0.000 2.070 225 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 225 R C 2.499 178.805 176.300 0.011 0.000 1.137 225 R CA 1.528 57.636 56.100 0.013 0.000 0.945 225 R CB -0.365 29.945 30.300 0.017 0.000 0.845 225 R HN 0.244 nan 8.270 nan 0.000 0.430 226 L N 0.357 121.587 121.223 0.012 0.000 2.043 226 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 226 L C 2.722 179.594 176.870 0.004 0.000 1.075 226 L CA 1.484 56.331 54.840 0.011 0.000 0.752 226 L CB -0.642 41.427 42.059 0.017 0.000 0.891 226 L HN 0.384 nan 8.230 nan 0.000 0.432 227 A N -0.219 122.595 122.820 -0.009 0.000 1.933 227 A HA -0.068 4.251 4.320 -0.000 0.000 0.218 227 A C 1.522 179.100 177.584 -0.009 0.000 1.175 227 A CA 0.812 52.835 52.037 -0.023 0.000 0.628 227 A CB -0.511 18.460 19.000 -0.047 0.000 0.814 227 A HN 0.241 nan 8.150 nan 0.000 0.444 231 C N 1.876 121.211 119.300 0.058 0.000 2.446 231 C HA 0.121 4.581 4.460 -0.000 0.000 0.277 231 C C 2.588 177.613 174.990 0.058 0.000 1.275 231 C CA 0.569 59.612 59.018 0.041 0.000 1.727 231 C CB -1.176 26.563 27.740 -0.002 0.000 2.010 231 C HN 0.517 nan 8.230 nan 0.000 0.486 232 L N 0.943 122.186 121.223 0.033 0.000 2.013 232 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 232 L C 2.079 178.946 176.870 -0.005 0.000 1.073 232 L CA 2.100 56.948 54.840 0.012 0.000 0.753 232 L CB -1.028 41.036 42.059 0.009 0.000 0.890 232 L HN 0.390 nan 8.230 nan 0.000 0.432 233 L N -1.139 120.072 121.223 -0.021 0.000 2.610 233 L HA -0.107 4.232 4.340 -0.000 0.000 0.232 233 L C 1.525 178.265 176.870 -0.217 0.000 1.149 233 L CA 0.098 54.873 54.840 -0.109 0.000 0.872 233 L CB -0.464 41.513 42.059 -0.137 0.000 0.992 233 L HN 0.364 nan 8.230 nan 0.000 0.447 234 H N -0.459 118.581 119.070 -0.051 0.000 2.672 234 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 234 H C -0.109 175.181 175.328 -0.064 0.000 1.074 234 H CA -0.016 55.994 56.048 -0.065 0.000 1.173 234 H CB 0.628 30.336 29.762 -0.090 0.000 1.558 234 H HN 0.233 nan 8.280 nan 0.000 0.539 235 D N 0.572 120.985 120.400 0.021 0.000 2.907 235 D HA -0.175 4.465 4.640 -0.000 0.000 0.226 235 D C 0.016 176.305 176.300 -0.018 0.000 1.141 235 D CA 0.506 54.503 54.000 -0.006 0.000 0.779 235 D CB -1.659 39.138 40.800 -0.006 0.000 1.095 235 D HN 0.460 nan 8.370 nan 0.000 0.430 236 I N 1.044 121.608 120.570 -0.010 0.000 2.347 236 I HA 0.085 4.255 4.170 -0.000 0.000 0.283 236 I C 1.560 177.657 176.117 -0.034 0.000 1.058 236 I CA -0.363 60.924 61.300 -0.022 0.000 1.202 236 I CB 0.883 38.865 38.000 -0.029 0.000 1.386 236 I HN -0.123 nan 8.210 nan 0.000 0.475 237 E N 4.120 124.256 120.200 -0.107 0.000 2.170 237 E HA 0.124 4.473 4.350 -0.000 0.000 0.191 237 E C 1.443 178.047 176.600 0.005 0.000 0.981 237 E CA 0.442 56.796 56.400 -0.077 0.000 0.830 237 E CB 0.200 29.808 29.700 -0.153 0.000 0.775 237 E HN 0.874 nan 8.360 nan 0.000 0.470 238 G N 2.253 111.048 108.800 -0.009 0.000 2.575 238 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.267 238 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.267 238 G C -0.281 174.720 174.900 0.169 0.000 1.264 238 G CA 0.077 45.220 45.100 0.071 0.000 0.935 238 G HN 0.393 nan 8.290 nan 0.000 0.568 239 N N 0.100 118.882 118.700 0.137 0.000 2.437 239 N HA 0.433 5.173 4.740 -0.000 0.000 0.259 239 N C 1.716 177.315 175.510 0.149 0.000 0.983 239 N CA -0.642 52.504 53.050 0.160 0.000 0.937 239 N CB 0.569 39.173 38.487 0.195 0.000 1.122 239 N HN 0.470 nan 8.380 nan 0.000 0.499 240 L N 2.871 124.159 121.223 0.108 0.000 2.261 240 L HA -0.163 4.176 4.340 -0.000 0.000 0.216 240 L C 1.311 178.194 176.870 0.021 0.000 1.114 240 L CA 1.093 55.971 54.840 0.065 0.000 0.777 240 L CB -0.185 41.900 42.059 0.044 0.000 0.910 240 L HN 0.629 nan 8.230 nan 0.000 0.440 241 D N -1.335 119.060 120.400 -0.008 0.000 2.218 241 D HA -0.141 4.498 4.640 -0.000 0.000 0.204 241 D C 1.625 177.742 176.300 -0.306 0.000 0.976 241 D CA 1.085 54.985 54.000 -0.167 0.000 0.853 241 D CB 0.069 40.724 40.800 -0.242 0.000 0.939 241 D HN 0.392 nan 8.370 nan 0.000 0.481 242 H N -2.055 117.025 119.070 0.015 0.000 2.592 242 H HA 0.353 4.909 4.556 -0.000 0.000 0.279 242 H C 1.455 176.792 175.328 0.015 0.000 1.089 242 H CA 0.609 56.665 56.048 0.013 0.000 1.150 242 H CB 1.250 31.020 29.762 0.013 0.000 1.575 242 H HN 0.177 nan 8.280 nan 0.000 0.547 243 G N 0.480 109.337 108.800 0.094 0.000 2.241 243 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 243 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 243 G C 0.674 175.616 174.900 0.070 0.000 0.998 243 G CA 0.048 45.188 45.100 0.067 0.000 0.621 243 G HN 0.928 nan 8.290 nan 0.000 0.519 244 G N -1.690 107.166 108.800 0.094 0.000 2.332 244 G HA2 0.524 4.484 3.960 -0.000 0.000 0.265 244 G HA3 0.524 4.484 3.960 -0.000 0.000 0.265 244 G C 0.820 175.761 174.900 0.067 0.000 1.329 244 G CA 1.225 46.369 45.100 0.075 0.000 0.949 244 G HN 1.675 nan 8.290 nan 0.000 0.476 245 A N -0.796 122.052 122.820 0.047 0.000 1.933 245 A HA 0.350 4.670 4.320 -0.000 0.000 0.218 245 A C 1.159 178.758 177.584 0.024 0.000 1.175 245 A CA 1.767 53.829 52.037 0.042 0.000 0.628 245 A CB -0.399 18.630 19.000 0.048 0.000 0.814 245 A HN 0.862 nan 8.150 nan 0.000 0.444 246 I N 0.787 121.368 120.570 0.017 0.000 2.304 246 I HA 0.253 4.422 4.170 -0.000 0.000 0.291 246 I C 0.428 176.551 176.117 0.010 0.000 1.018 246 I CA -0.121 61.180 61.300 0.001 0.000 1.260 246 I CB 1.263 39.255 38.000 -0.013 0.000 1.390 246 I HN 0.171 nan 8.210 nan 0.000 0.475 247 R N 5.377 125.873 120.500 -0.006 0.000 2.500 247 R HA 0.513 4.853 4.340 -0.000 0.000 0.275 247 R C -0.739 175.568 176.300 0.012 0.000 1.051 247 R CA -0.984 55.123 56.100 0.011 0.000 1.088 247 R CB 1.239 31.513 30.300 -0.045 0.000 1.063 247 R HN 0.427 nan 8.270 nan 0.000 0.511 248 L N 2.090 123.333 121.223 0.033 0.000 2.264 248 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 248 L C -0.140 176.744 176.870 0.024 0.000 1.044 248 L CA 0.642 55.498 54.840 0.026 0.000 0.807 248 L CB 0.663 42.742 42.059 0.032 0.000 1.192 248 L HN 0.917 nan 8.230 nan 0.000 0.425 249 G N 4.018 112.827 108.800 0.015 0.000 2.324 249 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.293 249 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.293 249 G C -1.817 173.083 174.900 0.000 0.000 1.297 249 G CA -0.860 44.245 45.100 0.008 0.000 0.853 249 G HN 0.594 nan 8.290 nan 0.000 0.535 250 N N -0.349 118.343 118.700 -0.012 0.000 2.426 250 N HA 0.464 5.203 4.740 -0.000 0.000 0.257 250 N C 1.346 176.804 175.510 -0.085 0.000 1.002 250 N CA 0.323 53.357 53.050 -0.027 0.000 0.942 250 N CB 1.468 39.944 38.487 -0.017 0.000 1.112 250 N HN 0.355 nan 8.380 nan 0.000 0.499 251 T N 3.229 117.696 114.554 -0.145 0.000 2.881 251 T HA -0.052 4.297 4.350 -0.000 0.000 0.270 251 T C 1.291 175.806 174.700 -0.308 0.000 1.068 251 T CA 1.030 62.939 62.100 -0.319 0.000 1.131 251 T CB -0.072 68.497 68.868 -0.497 0.000 0.871 251 T HN 0.502 nan 8.240 nan 0.000 0.479 252 L N 0.472 121.558 121.223 -0.229 0.000 2.629 252 L HA 0.349 4.689 4.340 -0.000 0.000 0.230 252 L C 1.385 178.233 176.870 -0.038 0.000 1.151 252 L CA -0.500 54.295 54.840 -0.075 0.000 0.924 252 L CB -0.257 41.756 42.059 -0.077 0.000 1.137 252 L HN 0.209 nan 8.230 nan 0.000 0.457 253 G N -1.112 107.647 108.800 -0.068 0.000 3.122 253 G HA2 0.244 4.204 3.960 -0.000 0.000 0.180 253 G HA3 0.244 4.204 3.960 -0.000 0.000 0.180 253 G C 0.623 175.480 174.900 -0.071 0.000 1.279 253 G CA 0.051 45.115 45.100 -0.060 0.000 0.987 253 G HN -0.052 nan 8.290 nan 0.000 0.589 254 S N 0.538 116.206 115.700 -0.053 0.000 2.382 254 S HA -0.090 4.379 4.470 -0.000 0.000 0.228 254 S C 1.787 176.365 174.600 -0.036 0.000 1.027 254 S CA 1.562 59.734 58.200 -0.047 0.000 0.991 254 S CB -0.247 62.934 63.200 -0.031 0.000 0.823 254 S HN 0.564 nan 8.310 nan 0.000 0.469 255 D N 1.558 121.940 120.400 -0.030 0.000 2.182 255 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 255 D C 2.144 178.423 176.300 -0.035 0.000 0.986 255 D CA 1.237 55.223 54.000 -0.023 0.000 0.847 255 D CB -0.709 40.079 40.800 -0.021 0.000 0.942 255 D HN 0.495 nan 8.370 nan 0.000 0.467 256 G N 1.711 110.476 108.800 -0.058 0.000 2.421 256 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 256 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 256 G C 1.426 176.362 174.900 0.059 0.000 1.171 256 G CA 0.950 46.017 45.100 -0.056 0.000 0.775 256 G HN 0.459 nan 8.290 nan 0.000 0.543 257 E N 0.102 120.305 120.200 0.004 0.000 2.427 257 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 257 E C 1.566 178.160 176.600 -0.010 0.000 1.028 257 E CA 0.581 56.978 56.400 -0.006 0.000 0.864 257 E CB -0.321 29.336 29.700 -0.071 0.000 0.813 257 E HN 0.525 nan 8.360 nan 0.000 0.514 258 N N 0.314 119.010 118.700 -0.008 0.000 2.398 258 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 258 N C -0.408 175.093 175.510 -0.015 0.000 1.122 258 N CA -0.415 52.632 53.050 -0.006 0.000 0.866 258 N CB 0.244 38.734 38.487 0.006 0.000 0.970 258 N HN 0.054 nan 8.380 nan 0.000 0.462 259 L N 2.379 123.599 121.223 -0.005 0.000 2.397 259 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 259 L C -1.904 174.949 176.870 -0.028 0.000 1.148 259 L CA -2.039 52.790 54.840 -0.018 0.000 0.825 259 L CB 0.147 42.233 42.059 0.044 0.000 1.117 259 L HN -0.001 nan 8.230 nan 0.000 0.456 260 P HA 0.128 nan 4.420 nan 0.000 0.275 260 P C -0.783 176.453 177.300 -0.106 0.000 1.228 260 P CA -0.585 62.482 63.100 -0.055 0.000 0.786 260 P CB 0.602 32.280 31.700 -0.036 0.000 0.927 261 K N 0.894 121.186 120.400 -0.180 0.000 2.339 261 K HA 0.399 4.719 4.320 -0.000 0.000 0.260 261 K C 0.402 176.736 176.600 -0.443 0.000 0.989 261 K CA 0.224 56.260 56.287 -0.418 0.000 0.888 261 K CB -0.151 31.887 32.500 -0.768 0.000 0.983 261 K HN 0.700 nan 8.250 nan 0.000 0.515 262 A N 0.331 122.814 122.820 -0.562 0.000 2.572 262 A HA 0.441 4.761 4.320 -0.000 0.000 0.295 262 A C 0.112 177.569 177.584 -0.212 0.000 1.072 262 A CA -0.672 51.183 52.037 -0.304 0.000 0.691 262 A CB 0.850 19.778 19.000 -0.121 0.000 1.291 262 A HN 0.750 nan 8.150 nan 0.000 0.404 263 H N 0.520 119.694 119.070 0.173 0.000 2.465 263 H HA 0.293 4.849 4.556 -0.000 0.000 0.289 263 H C 0.007 175.393 175.328 0.096 0.000 1.022 263 H CA 1.321 57.481 56.048 0.187 0.000 1.340 263 H CB 0.353 30.213 29.762 0.163 0.000 1.437 263 H HN 0.483 nan 8.280 nan 0.000 0.539 264 I N 0.718 121.380 120.570 0.154 0.000 2.730 264 I HA 0.286 4.456 4.170 -0.000 0.000 0.298 264 I C -0.947 175.181 176.117 0.018 0.000 1.089 264 I CA -0.814 60.529 61.300 0.072 0.000 1.041 264 I CB 3.475 41.524 38.000 0.082 0.000 1.235 264 I HN -0.306 nan 8.210 nan 0.000 0.423 265 V N 4.093 123.983 119.914 -0.040 0.000 2.524 265 V HA 0.703 4.823 4.120 -0.000 0.000 0.297 265 V C -0.493 175.506 176.094 -0.157 0.000 1.035 265 V CA -0.462 61.795 62.300 -0.071 0.000 0.867 265 V CB 1.705 33.494 31.823 -0.058 0.000 1.004 265 V HN 0.814 nan 8.190 nan 0.000 0.426 266 A N 3.278 125.978 122.820 -0.199 0.000 2.332 266 A HA 0.910 5.230 4.320 -0.000 0.000 0.300 266 A C -0.401 176.718 177.584 -0.775 0.000 1.153 266 A CA -0.484 51.304 52.037 -0.415 0.000 0.764 266 A CB 1.825 20.711 19.000 -0.190 0.000 1.174 266 A HN 0.761 nan 8.150 nan 0.000 0.467 267 T N 0.891 114.925 114.554 -0.867 0.000 2.853 267 T HA 0.504 4.854 4.350 -0.000 0.000 0.311 267 T C -1.795 172.532 174.700 -0.622 0.000 1.307 267 T CA -0.520 61.114 62.100 -0.776 0.000 1.019 267 T CB 1.430 70.097 68.868 -0.334 0.000 1.264 267 T HN 0.606 nan 8.240 nan 0.000 0.497 268 N N 3.292 121.745 118.700 -0.410 0.000 2.790 268 N HA 0.400 5.140 4.740 -0.000 0.000 0.256 268 N C -2.626 172.695 175.510 -0.315 0.000 1.409 268 N CA -1.709 51.205 53.050 -0.226 0.000 0.799 268 N CB 1.136 39.632 38.487 0.014 0.000 1.170 268 N HN 0.398 nan 8.380 nan 0.000 0.507 269 P HA 0.229 nan 4.420 nan 0.000 0.270 269 P C -2.657 174.275 177.300 -0.613 0.000 1.227 269 P CA -0.812 61.859 63.100 -0.715 0.000 0.788 269 P CB -0.218 30.780 31.700 -1.170 0.000 0.926 270 P HA 0.105 nan 4.420 nan 0.000 0.267 270 P C -0.350 176.766 177.300 -0.307 0.000 1.200 270 P CA 0.615 63.445 63.100 -0.450 0.000 0.772 270 P CB 0.144 31.688 31.700 -0.260 0.000 0.855 271 F N 0.757 120.583 119.950 -0.206 0.000 2.375 271 F HA 0.505 5.031 4.527 -0.000 0.000 0.317 271 F C 1.734 177.451 175.800 -0.139 0.000 1.124 271 F CA -0.113 57.775 58.000 -0.187 0.000 1.050 271 F CB 0.424 39.298 39.000 -0.210 0.000 1.314 271 F HN 0.545 nan 8.300 nan 0.000 0.511 272 G N 0.567 109.427 108.800 0.100 0.000 2.641 272 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 272 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 272 G C 0.485 175.395 174.900 0.016 0.000 1.315 272 G CA 0.008 45.123 45.100 0.026 0.000 0.907 272 G HN 0.769 nan 8.290 nan 0.000 0.572 273 S N 0.605 116.310 115.700 0.007 0.000 2.786 273 S HA 0.434 4.904 4.470 -0.000 0.000 0.223 273 S C 1.485 176.094 174.600 0.014 0.000 0.956 273 S CA 1.484 59.690 58.200 0.010 0.000 0.961 273 S CB -1.675 61.529 63.200 0.008 0.000 0.784 273 S HN 2.558 nan 8.310 nan 0.000 0.519 274 A N 0.301 123.123 122.820 0.003 0.000 6.484 274 A HA 0.082 4.402 4.320 -0.000 0.000 0.261 274 A C 0.809 178.388 177.584 -0.009 0.000 2.084 274 A CA 0.380 52.411 52.037 -0.011 0.000 0.721 274 A CB -1.826 17.195 19.000 0.034 0.000 1.059 274 A HN 1.441 nan 8.150 nan 0.000 0.382 275 A N -0.739 122.075 122.820 -0.010 0.000 2.599 275 A HA 0.624 4.943 4.320 -0.000 0.000 0.257 275 A C 1.486 179.081 177.584 0.019 0.000 1.641 275 A CA 0.580 52.615 52.037 -0.002 0.000 0.842 275 A CB -0.744 18.253 19.000 -0.004 0.000 1.599 275 A HN 2.657 nan 8.150 nan 0.000 0.585 276 G N 0.567 109.379 108.800 0.020 0.000 2.789 276 G HA2 0.419 4.378 3.960 -0.000 0.000 0.281 276 G HA3 0.419 4.378 3.960 -0.000 0.000 0.281 276 G C -0.049 174.870 174.900 0.032 0.000 0.708 276 G CA 0.623 45.736 45.100 0.022 0.000 2.067 276 G HN 0.858 nan 8.290 nan 0.000 0.554 277 T N 0.146 114.722 114.554 0.037 0.000 3.064 277 T HA 0.280 4.630 4.350 -0.000 0.000 0.367 277 T C -0.048 174.669 174.700 0.030 0.000 1.202 277 T CA -1.209 60.916 62.100 0.042 0.000 1.133 277 T CB 0.642 69.555 68.868 0.076 0.000 1.074 277 T HN 0.480 nan 8.240 nan 0.000 0.519 278 N N 3.244 121.956 118.700 0.019 0.000 2.497 278 N HA 0.157 4.897 4.740 -0.000 0.000 0.271 278 N C -0.122 175.397 175.510 0.016 0.000 1.142 278 N CA -0.672 52.387 53.050 0.015 0.000 0.965 278 N CB 1.265 39.758 38.487 0.010 0.000 1.077 278 N HN 0.595 nan 8.380 nan 0.000 0.462 279 I N 1.496 122.082 120.570 0.026 0.000 2.270 279 I HA -0.034 4.136 4.170 -0.000 0.000 0.294 279 I C 1.043 177.179 176.117 0.032 0.000 1.164 279 I CA -0.191 61.139 61.300 0.051 0.000 1.680 279 I CB -0.761 37.287 38.000 0.080 0.000 1.494 279 I HN 0.554 nan 8.210 nan 0.000 0.767 280 T N 1.635 116.190 114.554 0.001 0.000 3.327 280 T HA 0.250 4.600 4.350 -0.000 0.000 0.241 280 T C 0.255 174.916 174.700 -0.065 0.000 0.907 280 T CA -0.582 61.504 62.100 -0.023 0.000 0.931 280 T CB -0.159 68.695 68.868 -0.023 0.000 1.112 280 T HN 0.527 nan 8.240 nan 0.000 0.589 281 R N 0.299 120.742 120.500 -0.095 0.000 2.651 281 R HA 0.470 4.810 4.340 -0.000 0.000 0.278 281 R C -1.345 174.752 176.300 -0.338 0.000 1.010 281 R CA -0.459 55.490 56.100 -0.253 0.000 0.896 281 R CB 1.699 31.779 30.300 -0.365 0.000 1.211 281 R HN 0.212 nan 8.270 nan 0.000 0.456 282 T N 3.975 118.315 114.554 -0.356 0.000 2.845 282 T HA 0.422 4.772 4.350 -0.000 0.000 0.288 282 T C -0.681 173.749 174.700 -0.451 0.000 0.980 282 T CA 0.094 62.034 62.100 -0.267 0.000 1.071 282 T CB 0.329 69.105 68.868 -0.153 0.000 0.941 282 T HN 0.272 nan 8.240 nan 0.000 0.487 283 F N 0.350 120.270 119.950 -0.051 0.000 2.594 283 F HA 0.376 4.902 4.527 -0.000 0.000 0.335 283 F C 1.491 177.236 175.800 -0.092 0.000 1.058 283 F CA -1.163 56.803 58.000 -0.057 0.000 0.981 283 F CB 1.008 39.986 39.000 -0.037 0.000 1.289 283 F HN 0.243 nan 8.300 nan 0.000 0.490 284 V N -0.071 119.906 119.914 0.104 0.000 2.568 284 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 284 V C 0.065 175.935 176.094 -0.372 0.000 1.072 284 V CA 1.579 63.791 62.300 -0.147 0.000 1.084 284 V CB -0.976 30.752 31.823 -0.158 0.000 0.676 284 V HN 0.521 nan 8.190 nan 0.000 0.469 285 H N -1.388 117.723 119.070 0.069 0.000 2.808 285 H HA 0.306 4.862 4.556 -0.000 0.000 0.268 285 H C -2.740 172.600 175.328 0.020 0.000 1.306 285 H CA -2.285 53.771 56.048 0.012 0.000 1.565 285 H CB 1.088 30.829 29.762 -0.035 0.000 1.632 285 H HN 0.237 nan 8.280 nan 0.000 0.525 286 P HA -0.010 nan 4.420 nan 0.000 0.261 286 P C -0.126 177.194 177.300 0.035 0.000 1.173 286 P CA 0.838 64.000 63.100 0.104 0.000 0.760 286 P CB 0.817 32.556 31.700 0.066 0.000 0.783 287 T N 1.367 115.926 114.554 0.008 0.000 2.841 287 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 287 T C 0.639 175.308 174.700 -0.051 0.000 1.166 287 T CA -0.430 61.638 62.100 -0.054 0.000 1.007 287 T CB 1.521 70.334 68.868 -0.092 0.000 1.253 287 T HN -0.015 nan 8.240 nan 0.000 0.511 288 S N 0.712 116.366 115.700 -0.076 0.000 2.540 288 S HA 0.167 4.637 4.470 -0.000 0.000 0.218 288 S C 0.548 175.113 174.600 -0.059 0.000 0.977 288 S CA -0.317 57.845 58.200 -0.063 0.000 0.918 288 S CB -0.271 62.877 63.200 -0.086 0.000 0.806 288 S HN 0.626 nan 8.310 nan 0.000 0.496 289 N N 1.976 120.632 118.700 -0.073 0.000 2.437 289 N HA 0.098 4.838 4.740 -0.000 0.000 0.243 289 N C 1.167 176.653 175.510 -0.039 0.000 1.041 289 N CA -0.353 52.660 53.050 -0.063 0.000 0.940 289 N CB 0.312 38.745 38.487 -0.089 0.000 1.133 289 N HN -0.129 nan 8.380 nan 0.000 0.506 290 K N 2.421 122.826 120.400 0.008 0.000 2.044 290 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 290 K C 1.439 178.141 176.600 0.171 0.000 1.049 290 K CA 1.738 58.076 56.287 0.086 0.000 0.927 290 K CB -0.217 32.358 32.500 0.126 0.000 0.713 290 K HN 0.663 nan 8.250 nan 0.000 0.443 291 Q N 0.643 120.497 119.800 0.090 0.000 2.084 291 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 291 Q C 2.213 178.240 176.000 0.044 0.000 0.978 291 Q CA 0.967 56.815 55.803 0.075 0.000 0.844 291 Q CB -0.229 28.502 28.738 -0.011 0.000 0.898 291 Q HN 0.238 nan 8.270 nan 0.000 0.426 292 L N -0.708 120.489 121.223 -0.044 0.000 2.362 292 L HA -0.166 4.174 4.340 -0.000 0.000 0.219 292 L C 1.914 178.670 176.870 -0.189 0.000 1.134 292 L CA 0.275 55.052 54.840 -0.105 0.000 0.807 292 L CB -0.195 41.787 42.059 -0.129 0.000 0.927 292 L HN 0.402 nan 8.230 nan 0.000 0.447 293 C N -1.049 118.117 119.300 -0.222 0.000 2.486 293 C HA -0.013 4.446 4.460 -0.000 0.000 0.279 293 C C 1.707 176.401 174.990 -0.493 0.000 1.302 293 C CA -0.603 58.070 59.018 -0.574 0.000 1.720 293 C CB -0.461 26.998 27.740 -0.468 0.000 2.030 293 C HN 0.174 nan 8.230 nan 0.000 0.490 297 H N 1.933 121.006 119.070 0.005 0.000 2.326 297 H HA 0.079 4.635 4.556 -0.000 0.000 0.301 297 H C 1.922 177.302 175.328 0.086 0.000 1.081 297 H CA 2.247 58.380 56.048 0.141 0.000 1.334 297 H CB -0.054 29.740 29.762 0.054 0.000 1.385 297 H HN 0.158 nan 8.280 nan 0.000 0.504 298 I N 0.222 120.853 120.570 0.102 0.000 2.264 298 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 298 I C 2.183 178.333 176.117 0.056 0.000 1.111 298 I CA 1.347 62.703 61.300 0.093 0.000 1.382 298 I CB -0.246 37.894 38.000 0.234 0.000 1.060 298 I HN 0.367 nan 8.210 nan 0.000 0.418 299 I N 0.396 121.006 120.570 0.066 0.000 2.315 299 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 299 I C 2.577 178.697 176.117 0.006 0.000 1.117 299 I CA 1.191 62.529 61.300 0.062 0.000 1.404 299 I CB -0.257 37.747 38.000 0.007 0.000 1.071 299 I HN 0.242 nan 8.210 nan 0.000 0.419 300 E N 1.244 121.411 120.200 -0.056 0.000 2.028 300 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 300 E C 2.084 178.588 176.600 -0.159 0.000 0.984 300 E CA 2.299 58.644 56.400 -0.091 0.000 0.800 300 E CB -0.284 29.365 29.700 -0.085 0.000 0.758 300 E HN 0.467 nan 8.360 nan 0.000 0.448 301 T N -0.620 113.763 114.554 -0.285 0.000 2.962 301 T HA -0.009 4.341 4.350 -0.000 0.000 0.270 301 T C 1.015 175.563 174.700 -0.254 0.000 1.088 301 T CA 0.241 62.169 62.100 -0.286 0.000 1.127 301 T CB -0.371 68.301 68.868 -0.328 0.000 0.883 301 T HN 0.028 nan 8.240 nan 0.000 0.493 302 L N 2.639 123.775 121.223 -0.145 0.000 2.455 302 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 302 L C 1.006 177.831 176.870 -0.074 0.000 1.174 302 L CA -0.462 54.325 54.840 -0.088 0.000 0.869 302 L CB 0.222 42.312 42.059 0.052 0.000 1.130 302 L HN 0.321 nan 8.230 nan 0.000 0.474 303 H N 3.356 122.419 119.070 -0.011 0.000 2.745 303 H HA 0.129 4.685 4.556 -0.000 0.000 0.373 303 H C -2.043 173.324 175.328 0.065 0.000 1.226 303 H CA -1.773 54.279 56.048 0.006 0.000 1.435 303 H CB 0.276 30.035 29.762 -0.006 0.000 1.461 303 H HN 0.318 nan 8.280 nan 0.000 0.616 304 P HA 0.047 nan 4.420 nan 0.000 0.267 304 P C 0.741 178.138 177.300 0.162 0.000 1.205 304 P CA 1.218 64.406 63.100 0.147 0.000 0.765 304 P CB 0.483 32.245 31.700 0.103 0.000 0.828 305 G N 2.097 110.991 108.800 0.157 0.000 2.176 305 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.253 305 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.253 305 G C 0.681 175.742 174.900 0.268 0.000 0.979 305 G CA -0.202 44.994 45.100 0.161 0.000 0.641 305 G HN 0.869 nan 8.290 nan 0.000 0.530 306 G N -0.043 108.914 108.800 0.261 0.000 2.699 306 G HA2 0.575 4.535 3.960 -0.000 0.000 0.246 306 G HA3 0.575 4.535 3.960 -0.000 0.000 0.246 306 G C 0.281 175.330 174.900 0.248 0.000 1.219 306 G CA 0.384 45.637 45.100 0.255 0.000 0.866 306 G HN 1.255 nan 8.290 nan 0.000 0.572 307 R N -0.929 119.659 120.500 0.146 0.000 2.725 307 R HA 0.804 5.144 4.340 -0.000 0.000 0.277 307 R C -0.948 175.287 176.300 -0.109 0.000 0.987 307 R CA -0.847 55.281 56.100 0.047 0.000 0.901 307 R CB 1.856 32.140 30.300 -0.027 0.000 1.207 307 R HN 0.897 nan 8.270 nan 0.000 0.463 308 A N 1.004 123.620 122.820 -0.339 0.000 2.594 308 A HA 0.874 5.194 4.320 -0.000 0.000 0.291 308 A C -1.652 175.600 177.584 -0.553 0.000 1.105 308 A CA -0.520 51.229 52.037 -0.479 0.000 0.694 308 A CB 2.122 20.736 19.000 -0.644 0.000 1.291 308 A HN 1.021 nan 8.150 nan 0.000 0.410 309 A N 0.462 123.008 122.820 -0.457 0.000 2.414 309 A HA 0.644 4.964 4.320 -0.000 0.000 0.286 309 A C -1.342 175.963 177.584 -0.464 0.000 1.073 309 A CA -0.353 51.345 52.037 -0.564 0.000 0.727 309 A CB 1.041 19.798 19.000 -0.406 0.000 1.215 309 A HN 1.450 nan 8.150 nan 0.000 0.430 310 V N 3.151 122.826 119.914 -0.399 0.000 2.444 310 V HA 0.348 4.468 4.120 -0.000 0.000 0.294 310 V C -0.047 175.940 176.094 -0.179 0.000 1.022 310 V CA -0.695 61.464 62.300 -0.236 0.000 0.850 310 V CB 1.743 33.531 31.823 -0.057 0.000 0.992 310 V HN 0.649 nan 8.190 nan 0.000 0.426 311 V N 6.314 126.142 119.914 -0.144 0.000 2.455 311 V HA 0.442 4.562 4.120 -0.000 0.000 0.273 311 V C 0.195 176.295 176.094 0.011 0.000 1.045 311 V CA -0.021 62.265 62.300 -0.024 0.000 0.976 311 V CB 1.101 32.975 31.823 0.086 0.000 0.993 311 V HN 0.765 nan 8.190 nan 0.000 0.475 312 V N 3.970 123.888 119.914 0.007 0.000 3.102 312 V HA 0.808 4.927 4.120 -0.000 0.000 0.312 312 V C -2.982 173.047 176.094 -0.108 0.000 1.135 312 V CA -2.781 59.512 62.300 -0.011 0.000 1.022 312 V CB 2.436 34.228 31.823 -0.051 0.000 1.056 312 V HN 0.604 nan 8.190 nan 0.000 0.436 313 P HA 0.448 nan 4.420 nan 0.000 0.279 313 P C -0.280 176.832 177.300 -0.313 0.000 1.252 313 P CA -0.180 62.703 63.100 -0.361 0.000 0.811 313 P CB 0.821 32.277 31.700 -0.407 0.000 1.035 314 D N 0.134 120.355 120.400 -0.299 0.000 2.158 314 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 314 D C 1.442 177.221 176.300 -0.867 0.000 0.995 314 D CA 1.387 55.202 54.000 -0.309 0.000 0.846 314 D CB -0.389 40.405 40.800 -0.009 0.000 0.941 314 D HN 0.367 nan 8.370 nan 0.000 0.456 315 N N 0.345 118.472 118.700 -0.955 0.000 2.060 315 N HA -0.163 4.577 4.740 -0.000 0.000 0.195 315 N C 1.992 176.966 175.510 -0.893 0.000 1.028 315 N CA 0.862 53.129 53.050 -1.305 0.000 0.861 315 N CB -0.847 37.349 38.487 -0.485 0.000 1.029 315 N HN 0.166 nan 8.380 nan 0.000 0.428 316 V N 1.771 121.384 119.914 -0.501 0.000 2.453 316 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 316 V C 2.378 178.298 176.094 -0.290 0.000 1.068 316 V CA 1.317 63.431 62.300 -0.309 0.000 1.070 316 V CB -0.569 31.132 31.823 -0.204 0.000 0.664 316 V HN 0.252 nan 8.190 nan 0.000 0.461 317 L N -0.883 120.128 121.223 -0.353 0.000 2.162 317 L HA -0.028 4.311 4.340 -0.000 0.000 0.205 317 L C 2.270 179.071 176.870 -0.115 0.000 1.086 317 L CA 1.356 56.078 54.840 -0.197 0.000 0.778 317 L CB -0.449 41.537 42.059 -0.122 0.000 0.928 317 L HN 0.552 nan 8.230 nan 0.000 0.446 318 F N -0.555 119.360 119.950 -0.058 0.000 2.694 318 F HA 0.291 4.818 4.527 -0.000 0.000 0.292 318 F C 1.075 176.838 175.800 -0.061 0.000 1.121 318 F CA -1.116 56.849 58.000 -0.058 0.000 1.352 318 F CB -0.965 38.006 39.000 -0.048 0.000 1.107 318 F HN -0.128 nan 8.300 nan 0.000 0.597 319 E N 1.645 121.909 120.200 0.106 0.000 2.604 319 E HA 0.313 4.662 4.350 -0.000 0.000 0.267 319 E C 0.768 177.395 176.600 0.046 0.000 0.970 319 E CA 0.761 57.236 56.400 0.125 0.000 0.956 319 E CB 0.346 30.004 29.700 -0.070 0.000 0.939 319 E HN 0.479 nan 8.360 nan 0.000 0.465 320 G N 2.108 110.926 108.800 0.030 0.000 2.736 320 G HA2 0.562 4.522 3.960 -0.000 0.000 0.229 320 G HA3 0.562 4.522 3.960 -0.000 0.000 0.229 320 G C 0.652 175.488 174.900 -0.107 0.000 1.380 320 G CA -0.147 44.931 45.100 -0.037 0.000 1.040 320 G HN 1.046 nan 8.290 nan 0.000 0.568 321 G N 0.013 108.727 108.800 -0.143 0.000 2.596 321 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.304 321 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.304 321 G C 1.325 176.089 174.900 -0.226 0.000 1.189 321 G CA 0.908 45.877 45.100 -0.220 0.000 0.986 321 G HN 0.687 nan 8.290 nan 0.000 0.548 322 K N 2.044 122.302 120.400 -0.237 0.000 2.283 322 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 322 K C 2.722 179.190 176.600 -0.219 0.000 1.048 322 K CA 1.634 57.783 56.287 -0.231 0.000 0.948 322 K CB -1.022 31.367 32.500 -0.186 0.000 0.742 322 K HN 0.654 nan 8.250 nan 0.000 0.458 323 G N 0.896 109.589 108.800 -0.179 0.000 2.442 323 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 323 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 323 G C 1.495 176.301 174.900 -0.158 0.000 1.141 323 G CA 1.350 46.357 45.100 -0.156 0.000 0.763 323 G HN 0.264 nan 8.290 nan 0.000 0.554 324 T N 0.828 115.287 114.554 -0.158 0.000 2.857 324 T HA -0.040 4.309 4.350 -0.000 0.000 0.266 324 T C 1.952 176.537 174.700 -0.191 0.000 1.048 324 T CA 1.238 63.249 62.100 -0.148 0.000 1.139 324 T CB -0.181 68.608 68.868 -0.131 0.000 0.874 324 T HN 0.207 nan 8.240 nan 0.000 0.455 325 D N 1.209 121.443 120.400 -0.277 0.000 2.117 325 D HA 0.006 4.646 4.640 -0.000 0.000 0.198 325 D C 2.074 178.127 176.300 -0.412 0.000 0.982 325 D CA 0.870 54.611 54.000 -0.431 0.000 0.828 325 D CB -0.201 40.147 40.800 -0.753 0.000 0.967 325 D HN 0.363 nan 8.370 nan 0.000 0.464 326 I N 0.481 120.857 120.570 -0.323 0.000 2.394 326 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 326 I C 2.588 178.628 176.117 -0.128 0.000 1.136 326 I CA 0.599 61.802 61.300 -0.162 0.000 1.425 326 I CB -0.082 37.840 38.000 -0.130 0.000 1.079 326 I HN -0.121 nan 8.210 nan 0.000 0.425 327 R N 0.828 121.243 120.500 -0.141 0.000 2.115 327 R HA -0.047 4.293 4.340 -0.000 0.000 0.226 327 R C 2.380 178.619 176.300 -0.101 0.000 1.100 327 R CA 0.952 56.980 56.100 -0.121 0.000 0.980 327 R CB 0.058 30.292 30.300 -0.111 0.000 0.875 327 R HN 0.255 nan 8.270 nan 0.000 0.445 328 R N -0.387 120.053 120.500 -0.100 0.000 2.119 328 R HA -0.081 4.259 4.340 -0.000 0.000 0.222 328 R C 1.604 177.879 176.300 -0.043 0.000 1.088 328 R CA 1.360 57.419 56.100 -0.069 0.000 0.984 328 R CB -0.119 30.136 30.300 -0.075 0.000 0.884 328 R HN 0.177 nan 8.270 nan 0.000 0.447 329 D N 0.401 120.779 120.400 -0.038 0.000 2.123 329 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 329 D C 0.689 176.968 176.300 -0.034 0.000 0.976 329 D CA 0.448 54.455 54.000 0.012 0.000 0.831 329 D CB 0.060 40.916 40.800 0.093 0.000 0.974 329 D HN -0.099 nan 8.370 nan 0.000 0.469 333 K N 0.129 120.542 120.400 0.022 0.000 2.366 333 K HA 0.156 4.476 4.320 -0.000 0.000 0.198 333 K C 0.393 177.031 176.600 0.064 0.000 1.044 333 K CA 0.633 56.941 56.287 0.035 0.000 0.973 333 K CB 0.533 33.045 32.500 0.020 0.000 0.767 333 K HN 0.136 nan 8.250 nan 0.000 0.475 334 C N -0.575 118.756 119.300 0.052 0.000 2.848 334 C HA 0.260 4.720 4.460 -0.000 0.000 0.317 334 C C -0.149 174.961 174.990 0.199 0.000 1.260 334 C CA -1.107 57.986 59.018 0.125 0.000 1.656 334 C CB 1.349 29.078 27.740 -0.019 0.000 2.174 334 C HN 0.404 nan 8.230 nan 0.000 0.479 335 H N 1.947 121.146 119.070 0.215 0.000 2.628 335 H HA 0.367 4.923 4.556 -0.000 0.000 0.250 335 H C -0.922 174.621 175.328 0.359 0.000 1.442 335 H CA -0.509 55.687 56.048 0.246 0.000 1.282 335 H CB 0.393 30.307 29.762 0.252 0.000 1.487 335 H HN 0.585 nan 8.280 nan 0.000 0.544 336 L N 6.877 128.125 121.223 0.041 0.000 2.433 336 L HA 0.018 4.357 4.340 -0.000 0.000 0.275 336 L C 1.150 177.968 176.870 -0.086 0.000 1.128 336 L CA 0.405 55.264 54.840 0.031 0.000 0.875 336 L CB 0.161 42.227 42.059 0.011 0.000 1.171 336 L HN 0.671 nan 8.230 nan 0.000 0.463 337 H N 1.042 120.116 119.070 0.007 0.000 3.017 337 H HA 0.334 4.890 4.556 -0.000 0.000 0.255 337 H C -0.402 175.080 175.328 0.258 0.000 0.990 337 H CA -0.046 56.013 56.048 0.019 0.000 1.205 337 H CB 0.439 30.156 29.762 -0.074 0.000 1.460 337 H HN 0.496 nan 8.280 nan 0.000 0.478 338 T N 2.282 116.874 114.554 0.063 0.000 2.916 338 T HA 0.574 4.924 4.350 -0.000 0.000 0.298 338 T C -0.512 174.508 174.700 0.533 0.000 1.031 338 T CA -0.574 61.776 62.100 0.416 0.000 0.993 338 T CB 2.452 71.614 68.868 0.490 0.000 1.045 338 T HN 0.145 nan 8.240 nan 0.000 0.454 339 I N 3.205 124.105 120.570 0.551 0.000 2.478 339 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 339 I C -1.255 175.147 176.117 0.475 0.000 1.042 339 I CA -0.975 60.601 61.300 0.460 0.000 1.067 339 I CB 1.975 40.159 38.000 0.305 0.000 1.233 339 I HN 0.343 nan 8.210 nan 0.000 0.431 340 L N 7.528 128.983 121.223 0.386 0.000 2.280 340 L HA 0.476 4.816 4.340 -0.000 0.000 0.287 340 L C -0.208 176.730 176.870 0.114 0.000 1.023 340 L CA -0.153 54.781 54.840 0.156 0.000 0.819 340 L CB 0.610 42.592 42.059 -0.127 0.000 1.212 340 L HN 0.449 nan 8.230 nan 0.000 0.420 341 R N 6.452 127.022 120.500 0.116 0.000 2.205 341 R HA 0.369 4.709 4.340 -0.000 0.000 0.342 341 R C -0.692 175.621 176.300 0.021 0.000 1.058 341 R CA -0.626 55.506 56.100 0.054 0.000 0.904 341 R CB 0.343 30.662 30.300 0.031 0.000 1.089 341 R HN 0.639 nan 8.270 nan 0.000 0.471 342 L N 4.719 125.940 121.223 -0.003 0.000 2.464 342 L HA 0.219 4.559 4.340 -0.000 0.000 0.264 342 L C -1.788 175.036 176.870 -0.077 0.000 1.199 342 L CA -1.690 53.123 54.840 -0.046 0.000 0.818 342 L CB 0.178 42.221 42.059 -0.028 0.000 1.102 342 L HN 0.209 nan 8.230 nan 0.000 0.473 343 P HA 0.161 nan 4.420 nan 0.000 0.293 343 P C -0.978 176.272 177.300 -0.082 0.000 1.298 343 P CA -0.377 62.665 63.100 -0.097 0.000 0.757 343 P CB 0.451 32.089 31.700 -0.105 0.000 1.262 344 T N -4.603 109.949 114.554 -0.004 0.000 2.912 344 T HA 0.573 4.923 4.350 -0.000 0.000 0.288 344 T C 0.690 175.427 174.700 0.062 0.000 1.030 344 T CA -0.138 61.972 62.100 0.017 0.000 1.020 344 T CB 1.132 70.007 68.868 0.012 0.000 1.056 344 T HN 0.787 nan 8.240 nan 0.000 0.480 345 G N 1.126 109.971 108.800 0.076 0.000 2.136 345 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 345 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 345 G C 0.527 175.476 174.900 0.081 0.000 0.989 345 G CA 0.310 45.472 45.100 0.104 0.000 0.682 345 G HN 1.303 nan 8.290 nan 0.000 0.522 346 I N -3.853 116.699 120.570 -0.030 0.000 3.783 346 I HA 0.581 4.751 4.170 -0.000 0.000 0.310 346 I C 0.610 176.688 176.117 -0.065 0.000 1.274 346 I CA -0.386 60.775 61.300 -0.230 0.000 1.294 346 I CB 0.120 37.633 38.000 -0.811 0.000 1.051 346 I HN -0.018 nan 8.210 nan 0.000 0.435 347 F N -0.033 120.012 119.950 0.158 0.000 2.458 347 F HA 0.404 4.931 4.527 -0.000 0.000 0.330 347 F C 0.949 176.995 175.800 0.410 0.000 1.082 347 F CA -0.689 57.525 58.000 0.357 0.000 0.995 347 F CB 0.734 39.890 39.000 0.260 0.000 1.170 347 F HN -0.219 nan 8.300 nan 0.000 0.478 348 Y N 1.419 121.980 120.300 0.436 0.000 2.365 348 Y HA -0.197 4.353 4.550 -0.000 0.000 0.287 348 Y C 1.722 177.703 175.900 0.135 0.000 1.162 348 Y CA 0.548 58.715 58.100 0.112 0.000 1.260 348 Y CB -1.026 37.425 38.460 -0.016 0.000 0.976 348 Y HN 0.604 nan 8.280 nan 0.000 0.548 349 A N -0.995 122.050 122.820 0.374 0.000 3.559 349 A HA 0.145 4.465 4.320 -0.000 0.000 0.145 349 A C 1.632 179.300 177.584 0.140 0.000 1.506 349 A CA 1.374 53.534 52.037 0.205 0.000 1.065 349 A CB -0.058 19.051 19.000 0.183 0.000 1.485 349 A HN 0.273 nan 8.150 nan 0.000 0.698 350 Q N -3.707 116.147 119.800 0.090 0.000 1.561 350 Q HA 0.033 4.373 4.340 -0.000 0.000 0.144 350 Q C 0.990 176.997 176.000 0.012 0.000 0.523 350 Q CA 0.665 56.501 55.803 0.056 0.000 0.856 350 Q CB -0.600 28.154 28.738 0.025 0.000 0.915 350 Q HN 0.841 nan 8.270 nan 0.000 0.194 351 G N 2.550 111.337 108.800 -0.022 0.000 3.471 351 G HA2 0.403 4.363 3.960 -0.000 0.000 0.254 351 G HA3 0.403 4.363 3.960 -0.000 0.000 0.254 351 G C -0.040 174.802 174.900 -0.097 0.000 1.199 351 G CA 0.590 45.660 45.100 -0.050 0.000 1.683 351 G HN 0.091 nan 8.290 nan 0.000 0.625 352 V N -2.485 117.350 119.914 -0.131 0.000 2.409 352 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 352 V C -0.294 175.640 176.094 -0.267 0.000 1.020 352 V CA -1.706 60.432 62.300 -0.271 0.000 0.848 352 V CB 1.523 33.075 31.823 -0.452 0.000 0.990 352 V HN 0.149 nan 8.190 nan 0.000 0.430 353 K N 3.828 124.080 120.400 -0.246 0.000 2.276 353 K HA 0.590 4.910 4.320 -0.000 0.000 0.285 353 K C 0.240 176.678 176.600 -0.270 0.000 1.062 353 K CA -0.102 56.075 56.287 -0.183 0.000 0.918 353 K CB 1.428 33.870 32.500 -0.097 0.000 1.055 353 K HN 1.010 nan 8.250 nan 0.000 0.477 354 T N 0.280 114.706 114.554 -0.214 0.000 2.908 354 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 354 T C -0.465 174.192 174.700 -0.071 0.000 1.034 354 T CA -1.076 60.899 62.100 -0.209 0.000 1.010 354 T CB 1.392 70.123 68.868 -0.228 0.000 1.068 354 T HN 0.484 nan 8.240 nan 0.000 0.481 355 N N -0.554 118.116 118.700 -0.049 0.000 2.831 355 N HA 0.719 5.459 4.740 -0.000 0.000 0.276 355 N C -1.712 173.804 175.510 0.011 0.000 1.416 355 N CA -0.967 52.084 53.050 0.002 0.000 0.799 355 N CB 1.933 40.423 38.487 0.005 0.000 1.554 355 N HN 0.561 nan 8.380 nan 0.000 0.541 356 V N 1.036 120.964 119.914 0.024 0.000 2.482 356 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 356 V C -0.894 175.128 176.094 -0.120 0.000 1.026 356 V CA -0.644 61.598 62.300 -0.097 0.000 0.856 356 V CB 1.074 32.838 31.823 -0.097 0.000 1.001 356 V HN 0.432 nan 8.190 nan 0.000 0.424 357 L N 5.084 126.205 121.223 -0.170 0.000 2.307 357 L HA 0.617 4.957 4.340 -0.000 0.000 0.282 357 L C -0.949 175.788 176.870 -0.222 0.000 1.051 357 L CA -0.151 54.693 54.840 0.007 0.000 0.804 357 L CB 1.060 43.219 42.059 0.166 0.000 1.197 357 L HN 0.447 nan 8.230 nan 0.000 0.431 358 F N 3.937 123.949 119.950 0.103 0.000 2.467 358 F HA 0.630 5.157 4.527 -0.000 0.000 0.336 358 F C -0.115 175.537 175.800 -0.246 0.000 1.123 358 F CA -0.675 57.283 58.000 -0.069 0.000 0.964 358 F CB 1.405 40.462 39.000 0.094 0.000 1.136 358 F HN 0.256 nan 8.300 nan 0.000 0.447 359 F N -0.902 119.074 119.950 0.044 0.000 2.713 359 F HA 0.798 5.324 4.527 -0.000 0.000 0.311 359 F C -1.180 174.803 175.800 0.306 0.000 1.141 359 F CA -1.116 56.949 58.000 0.109 0.000 0.939 359 F CB 1.259 40.287 39.000 0.047 0.000 1.325 359 F HN 0.156 nan 8.300 nan 0.000 0.453 360 T N 1.004 115.953 114.554 0.658 0.000 2.856 360 T HA 0.404 4.753 4.350 -0.000 0.000 0.283 360 T C -0.966 174.028 174.700 0.490 0.000 1.008 360 T CA -0.731 61.692 62.100 0.538 0.000 0.997 360 T CB 1.489 70.713 68.868 0.593 0.000 0.992 360 T HN 0.732 nan 8.240 nan 0.000 0.454 361 K N 2.359 122.983 120.400 0.375 0.000 2.363 361 K HA 0.489 4.809 4.320 -0.000 0.000 0.289 361 K C 0.991 177.719 176.600 0.214 0.000 1.063 361 K CA 1.003 57.458 56.287 0.279 0.000 0.967 361 K CB -0.633 31.999 32.500 0.219 0.000 0.987 361 K HN 0.887 nan 8.250 nan 0.000 0.473 362 G N 2.631 111.542 108.800 0.185 0.000 2.539 362 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 362 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 362 G C -0.379 174.604 174.900 0.138 0.000 1.233 362 G CA -0.034 45.144 45.100 0.130 0.000 0.936 362 G HN 1.158 nan 8.290 nan 0.000 0.571 363 T N -3.680 110.906 114.554 0.054 0.000 2.906 363 T HA 0.659 5.009 4.350 -0.000 0.000 0.295 363 T C 1.243 175.902 174.700 -0.067 0.000 1.075 363 T CA 0.417 62.502 62.100 -0.025 0.000 1.005 363 T CB 1.777 70.574 68.868 -0.118 0.000 1.136 363 T HN 1.344 nan 8.240 nan 0.000 0.498 364 V N 1.634 121.461 119.914 -0.144 0.000 2.324 364 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 364 V C 3.082 179.101 176.094 -0.125 0.000 1.060 364 V CA 2.637 64.812 62.300 -0.209 0.000 1.042 364 V CB -1.453 30.200 31.823 -0.283 0.000 0.650 364 V HN 1.073 nan 8.190 nan 0.000 0.450 365 A N -0.278 122.480 122.820 -0.103 0.000 1.930 365 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 365 A C 1.183 178.738 177.584 -0.048 0.000 1.175 365 A CA 1.318 53.313 52.037 -0.070 0.000 0.627 365 A CB -0.200 18.760 19.000 -0.066 0.000 0.815 365 A HN 0.605 nan 8.150 nan 0.000 0.443 366 N N -0.633 118.042 118.700 -0.042 0.000 2.762 366 N HA 0.258 4.998 4.740 -0.000 0.000 0.252 366 N C -2.628 172.881 175.510 -0.002 0.000 1.269 366 N CA -1.135 51.904 53.050 -0.018 0.000 0.799 366 N CB 1.281 39.761 38.487 -0.013 0.000 1.173 366 N HN 0.009 nan 8.380 nan 0.000 0.516 367 P HA -0.064 nan 4.420 nan 0.000 0.222 367 P C 0.551 177.879 177.300 0.047 0.000 1.142 367 P CA 1.192 64.311 63.100 0.030 0.000 0.788 367 P CB 0.371 32.088 31.700 0.027 0.000 0.767 368 N N -1.831 116.888 118.700 0.033 0.000 2.184 368 N HA 0.015 4.755 4.740 -0.000 0.000 0.206 368 N C 0.482 176.012 175.510 0.033 0.000 1.151 368 N CA -0.045 53.027 53.050 0.036 0.000 0.878 368 N CB 0.172 38.676 38.487 0.027 0.000 1.014 368 N HN 0.301 nan 8.380 nan 0.000 0.512 369 Q N 1.264 121.083 119.800 0.031 0.000 2.283 369 Q HA -0.092 4.248 4.340 -0.000 0.000 0.301 369 Q C 0.014 176.036 176.000 0.038 0.000 1.063 369 Q CA 0.617 56.438 55.803 0.030 0.000 0.952 369 Q CB 0.628 29.382 28.738 0.027 0.000 1.166 369 Q HN 0.045 nan 8.270 nan 0.000 0.381 370 D N 2.659 123.077 120.400 0.030 0.000 2.355 370 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 370 D C -0.360 175.959 176.300 0.031 0.000 1.010 370 D CA 0.853 54.871 54.000 0.029 0.000 0.875 370 D CB 0.595 41.408 40.800 0.021 0.000 0.966 370 D HN 0.378 nan 8.370 nan 0.000 0.512 371 K N 0.140 120.559 120.400 0.031 0.000 2.509 371 K HA 0.254 4.574 4.320 -0.000 0.000 0.266 371 K C -0.289 176.334 176.600 0.038 0.000 0.987 371 K CA -0.764 55.542 56.287 0.032 0.000 0.868 371 K CB 1.686 34.200 32.500 0.024 0.000 1.421 371 K HN -0.281 nan 8.250 nan 0.000 0.444 372 N N -0.170 118.555 118.700 0.041 0.000 2.696 372 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 372 N C 0.630 176.183 175.510 0.073 0.000 1.090 372 N CA 0.628 53.709 53.050 0.050 0.000 0.716 372 N CB -2.112 36.398 38.487 0.038 0.000 1.020 372 N HN 0.588 nan 8.380 nan 0.000 0.548 373 C N -0.304 119.051 119.300 0.092 0.000 2.440 373 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 373 C C 1.517 176.664 174.990 0.261 0.000 1.295 373 C CA 0.705 59.806 59.018 0.138 0.000 1.738 373 C CB -0.510 27.326 27.740 0.159 0.000 1.987 373 C HN 0.460 nan 8.230 nan 0.000 0.492 374 T N 1.904 116.597 114.554 0.231 0.000 2.817 374 T HA 0.225 4.574 4.350 -0.000 0.000 0.293 374 T C 0.664 175.490 174.700 0.210 0.000 0.964 374 T CA 0.046 62.307 62.100 0.269 0.000 1.085 374 T CB 0.769 69.716 68.868 0.132 0.000 0.921 374 T HN 0.591 nan 8.240 nan 0.000 0.502 375 D N 1.627 122.175 120.400 0.247 0.000 3.195 375 D HA 0.072 4.712 4.640 -0.000 0.000 0.245 375 D C -0.448 175.927 176.300 0.124 0.000 1.462 375 D CA -0.002 54.096 54.000 0.163 0.000 1.259 375 D CB 0.373 41.266 40.800 0.155 0.000 1.199 375 D HN 0.315 nan 8.370 nan 0.000 0.345 376 D N 0.819 121.306 120.400 0.145 0.000 2.278 376 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 376 D C -0.826 175.505 176.300 0.051 0.000 1.052 376 D CA -0.434 53.589 54.000 0.038 0.000 0.834 376 D CB 3.072 43.874 40.800 0.003 0.000 1.194 376 D HN -0.101 nan 8.370 nan 0.000 0.481 377 V N 3.176 123.074 119.914 -0.027 0.000 2.384 377 V HA 0.318 4.437 4.120 -0.000 0.000 0.287 377 V C -0.608 175.434 176.094 -0.086 0.000 1.020 377 V CA -0.835 61.500 62.300 0.057 0.000 0.850 377 V CB 1.215 33.114 31.823 0.126 0.000 0.987 377 V HN 0.426 nan 8.190 nan 0.000 0.436 378 W N 3.716 125.006 121.300 -0.016 0.000 2.390 378 W HA 0.670 5.329 4.660 -0.000 0.000 0.312 378 W C -0.357 176.180 176.519 0.030 0.000 1.123 378 W CA -0.438 56.769 57.345 -0.230 0.000 1.202 378 W CB 1.551 30.692 29.460 -0.532 0.000 1.251 378 W HN 0.291 nan 8.180 nan 0.000 0.511 379 V N 4.009 124.096 119.914 0.288 0.000 2.604 379 V HA 0.317 4.437 4.120 -0.000 0.000 0.305 379 V C -1.409 175.167 176.094 0.803 0.000 1.043 379 V CA -1.310 61.329 62.300 0.564 0.000 0.888 379 V CB 1.568 33.766 31.823 0.624 0.000 0.995 379 V HN 0.348 nan 8.190 nan 0.000 0.429 380 Y N 2.836 123.572 120.300 0.727 0.000 2.338 380 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 380 Y C -0.007 176.097 175.900 0.340 0.000 0.965 380 Y CA -0.732 57.810 58.100 0.737 0.000 1.208 380 Y CB 1.239 40.162 38.460 0.772 0.000 1.132 380 Y HN 0.705 nan 8.280 nan 0.000 0.469 381 D N 6.759 127.089 120.400 -0.117 0.000 2.359 381 D HA 0.062 4.701 4.640 -0.000 0.000 0.250 381 D C -0.062 176.142 176.300 -0.160 0.000 1.264 381 D CA 0.460 54.328 54.000 -0.220 0.000 0.911 381 D CB 0.635 41.127 40.800 -0.513 0.000 1.056 381 D HN 0.780 nan 8.370 nan 0.000 0.499 382 L N 4.389 125.648 121.223 0.060 0.000 2.965 382 L HA 0.223 4.563 4.340 -0.000 0.000 0.254 382 L C 1.471 178.349 176.870 0.015 0.000 1.220 382 L CA -0.053 54.864 54.840 0.127 0.000 1.023 382 L CB 0.167 42.391 42.059 0.274 0.000 1.355 382 L HN 0.321 nan 8.230 nan 0.000 0.545 383 R N -0.556 119.926 120.500 -0.030 0.000 2.107 383 R HA 0.067 4.407 4.340 -0.000 0.000 0.195 383 R C 0.872 177.147 176.300 -0.041 0.000 1.214 383 R CA 0.719 56.798 56.100 -0.035 0.000 1.129 383 R CB 0.090 30.361 30.300 -0.048 0.000 1.045 383 R HN 0.307 nan 8.270 nan 0.000 0.489 384 T N 0.894 115.401 114.554 -0.078 0.000 2.928 384 T HA 0.087 4.437 4.350 -0.000 0.000 0.305 384 T C 0.304 174.985 174.700 -0.032 0.000 1.035 384 T CA -0.123 61.936 62.100 -0.068 0.000 1.145 384 T CB 0.336 69.135 68.868 -0.114 0.000 0.963 384 T HN 0.551 nan 8.240 nan 0.000 0.545 388 S N 2.090 117.613 115.700 -0.295 0.000 2.973 388 S HA 0.121 4.591 4.470 -0.000 0.000 0.357 388 S C 0.429 174.905 174.600 -0.206 0.000 1.159 388 S CA -0.219 57.870 58.200 -0.184 0.000 1.423 388 S CB -0.959 62.191 63.200 -0.084 0.000 1.115 388 S HN 0.255 nan 8.310 nan 0.000 0.563 389 F N 2.477 122.412 119.950 -0.025 0.000 2.506 389 F HA 0.574 5.101 4.527 -0.000 0.000 0.351 389 F C 1.483 177.290 175.800 0.012 0.000 1.136 389 F CA 0.965 58.962 58.000 -0.004 0.000 1.298 389 F CB 0.658 39.640 39.000 -0.030 0.000 1.145 389 F HN 0.872 nan 8.300 nan 0.000 0.593 390 G N 1.605 110.546 108.800 0.236 0.000 2.428 390 G HA2 0.120 4.080 3.960 -0.000 0.000 0.304 390 G HA3 0.120 4.080 3.960 -0.000 0.000 0.304 390 G C -0.252 174.723 174.900 0.125 0.000 1.303 390 G CA -0.776 44.405 45.100 0.135 0.000 0.825 390 G HN 0.508 nan 8.290 nan 0.000 0.484 391 K N -0.030 120.411 120.400 0.069 0.000 2.280 391 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 391 K C 2.515 179.155 176.600 0.067 0.000 1.047 391 K CA 1.504 57.827 56.287 0.060 0.000 0.942 391 K CB -0.053 32.458 32.500 0.019 0.000 0.739 391 K HN 0.429 nan 8.250 nan 0.000 0.457 392 R N -0.458 120.078 120.500 0.061 0.000 2.057 392 R HA 0.008 4.348 4.340 -0.000 0.000 0.224 392 R C 0.438 176.783 176.300 0.076 0.000 1.136 392 R CA 0.922 57.053 56.100 0.053 0.000 0.968 392 R CB -0.981 29.338 30.300 0.031 0.000 0.863 392 R HN -0.075 nan 8.270 nan 0.000 0.433 393 T N 5.084 119.692 114.554 0.090 0.000 3.145 393 T HA 0.298 4.648 4.350 -0.000 0.000 0.362 393 T C -2.502 172.376 174.700 0.297 0.000 1.340 393 T CA -1.389 60.780 62.100 0.114 0.000 1.069 393 T CB 1.772 70.613 68.868 -0.045 0.000 1.129 393 T HN 0.160 nan 8.240 nan 0.000 0.585 394 P HA 0.216 nan 4.420 nan 0.000 0.275 394 P C -0.655 176.981 177.300 0.560 0.000 1.228 394 P CA -0.615 62.706 63.100 0.369 0.000 0.786 394 P CB 0.757 32.597 31.700 0.233 0.000 0.927 395 F N 3.920 123.979 119.950 0.182 0.000 2.413 395 F HA 0.305 4.832 4.527 -0.000 0.000 0.359 395 F C 0.477 176.353 175.800 0.128 0.000 1.122 395 F CA 0.235 58.161 58.000 -0.124 0.000 1.160 395 F CB 0.284 38.897 39.000 -0.645 0.000 1.146 395 F HN 0.308 nan 8.300 nan 0.000 0.514 396 T N 0.795 115.354 114.554 0.007 0.000 2.905 396 T HA 0.328 4.678 4.350 -0.000 0.000 0.283 396 T C 0.577 175.045 174.700 -0.386 0.000 1.031 396 T CA -0.557 61.435 62.100 -0.181 0.000 1.002 396 T CB 1.208 70.023 68.868 -0.089 0.000 1.200 396 T HN 0.387 nan 8.240 nan 0.000 0.560 397 D N -0.062 120.180 120.400 -0.264 0.000 2.264 397 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 397 D C 1.688 177.868 176.300 -0.200 0.000 0.966 397 D CA 0.655 54.515 54.000 -0.232 0.000 0.864 397 D CB -0.175 40.525 40.800 -0.166 0.000 0.933 397 D HN 0.570 nan 8.370 nan 0.000 0.499 398 E N -0.039 120.022 120.200 -0.230 0.000 2.110 398 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 398 E C 1.626 178.167 176.600 -0.099 0.000 0.988 398 E CA 0.894 57.174 56.400 -0.199 0.000 0.804 398 E CB -0.143 29.397 29.700 -0.268 0.000 0.745 398 E HN 0.514 nan 8.360 nan 0.000 0.458 399 H N -0.907 118.176 119.070 0.021 0.000 2.524 399 H HA 0.027 4.583 4.556 -0.000 0.000 0.282 399 H C 1.647 177.048 175.328 0.120 0.000 1.016 399 H CA 0.805 56.944 56.048 0.153 0.000 1.270 399 H CB 0.209 29.910 29.762 -0.102 0.000 1.394 399 H HN 0.188 nan 8.280 nan 0.000 0.568 400 L N 0.022 121.285 121.223 0.068 0.000 2.590 400 L HA 0.020 4.360 4.340 -0.000 0.000 0.227 400 L C 2.295 179.206 176.870 0.069 0.000 1.099 400 L CA 0.126 55.021 54.840 0.092 0.000 0.872 400 L CB 0.084 42.160 42.059 0.029 0.000 1.088 400 L HN 0.074 nan 8.230 nan 0.000 0.479 401 Q N 0.465 120.280 119.800 0.025 0.000 2.096 401 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 401 Q C -0.558 175.414 176.000 -0.048 0.000 0.982 401 Q CA 1.709 57.494 55.803 -0.030 0.000 0.850 401 Q CB -0.869 27.844 28.738 -0.042 0.000 0.901 401 Q HN 0.410 nan 8.270 nan 0.000 0.422 402 P HA -0.187 nan 4.420 nan 0.000 0.215 402 P C 0.968 178.141 177.300 -0.212 0.000 1.157 402 P CA 1.001 64.094 63.100 -0.011 0.000 0.863 402 P CB -0.148 31.666 31.700 0.190 0.000 0.787 403 F N 1.972 121.632 119.950 -0.483 0.000 2.102 403 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 403 F C 2.089 177.573 175.800 -0.527 0.000 1.105 403 F CA 1.706 59.170 58.000 -0.892 0.000 1.239 403 F CB -0.870 37.551 39.000 -0.966 0.000 0.991 403 F HN -0.033 nan 8.300 nan 0.000 0.474 404 E N 0.251 120.080 120.200 -0.618 0.000 2.204 404 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 404 E C 2.237 178.577 176.600 -0.434 0.000 0.989 404 E CA 0.851 56.882 56.400 -0.615 0.000 0.824 404 E CB -0.480 29.062 29.700 -0.265 0.000 0.756 404 E HN 0.476 nan 8.360 nan 0.000 0.477 405 R N 0.819 121.109 120.500 -0.350 0.000 2.061 405 R HA -0.101 4.239 4.340 -0.000 0.000 0.230 405 R C 2.806 178.906 176.300 -0.335 0.000 1.140 405 R CA 1.789 57.734 56.100 -0.258 0.000 0.940 405 R CB -0.592 29.598 30.300 -0.183 0.000 0.839 405 R HN 0.298 nan 8.270 nan 0.000 0.429 406 V N -1.501 118.110 119.914 -0.505 0.000 2.490 406 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 406 V C 2.011 177.739 176.094 -0.611 0.000 1.061 406 V CA 1.573 63.492 62.300 -0.636 0.000 1.064 406 V CB -1.164 29.947 31.823 -1.188 0.000 0.670 406 V HN 0.285 nan 8.190 nan 0.000 0.461 407 Y N 2.832 122.607 120.300 -0.875 0.000 2.114 407 Y HA 0.234 4.784 4.550 -0.000 0.000 0.282 407 Y C 1.453 177.121 175.900 -0.387 0.000 1.165 407 Y CA 2.019 59.711 58.100 -0.680 0.000 1.148 407 Y CB -0.508 37.380 38.460 -0.952 0.000 0.972 407 Y HN 0.736 nan 8.280 nan 0.000 0.504 408 G N -0.444 108.278 108.800 -0.131 0.000 2.497 408 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 408 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 408 G C -0.149 174.739 174.900 -0.019 0.000 1.288 408 G CA -0.098 44.936 45.100 -0.110 0.000 0.899 408 G HN 0.311 nan 8.290 nan 0.000 0.608 409 E N -0.855 119.316 120.200 -0.048 0.000 2.472 409 E HA 0.153 4.503 4.350 -0.000 0.000 0.196 409 E C 0.406 176.985 176.600 -0.034 0.000 1.033 409 E CA 0.296 56.666 56.400 -0.050 0.000 0.886 409 E CB 0.200 29.873 29.700 -0.045 0.000 0.944 409 E HN 0.462 nan 8.360 nan 0.000 0.492 410 D N 0.678 121.065 120.400 -0.022 0.000 2.317 410 D HA 0.028 4.667 4.640 -0.000 0.000 0.252 410 D C -1.493 174.818 176.300 0.018 0.000 1.174 410 D CA -2.157 51.840 54.000 -0.006 0.000 0.866 410 D CB 1.367 42.157 40.800 -0.016 0.000 1.127 410 D HN -0.071 nan 8.370 nan 0.000 0.467 411 P HA -0.144 nan 4.420 nan 0.000 0.228 411 P C 0.281 177.492 177.300 -0.149 0.000 1.151 411 P CA 0.982 64.046 63.100 -0.060 0.000 0.770 411 P CB 0.211 31.825 31.700 -0.144 0.000 0.786 412 H N -0.843 118.227 119.070 -0.000 0.000 2.520 412 H HA 0.248 4.804 4.556 -0.000 0.000 0.284 412 H C 1.222 176.295 175.328 -0.425 0.000 1.037 412 H CA 0.604 56.604 56.048 -0.080 0.000 1.168 412 H CB -0.070 29.680 29.762 -0.019 0.000 1.497 412 H HN 0.153 nan 8.280 nan 0.000 0.547 413 G N 1.757 110.344 108.800 -0.356 0.000 2.305 413 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.287 413 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.287 413 G C 0.787 175.484 174.900 -0.338 0.000 1.036 413 G CA 0.406 45.145 45.100 -0.601 0.000 0.887 413 G HN 0.451 nan 8.290 nan 0.000 0.505 414 L N -0.076 121.048 121.223 -0.167 0.000 2.693 414 L HA 0.208 4.548 4.340 -0.000 0.000 0.235 414 L C 1.368 178.186 176.870 -0.086 0.000 1.127 414 L CA -0.063 54.730 54.840 -0.079 0.000 0.914 414 L CB 0.247 42.292 42.059 -0.024 0.000 1.193 414 L HN 0.236 nan 8.230 nan 0.000 0.502 415 S N 1.835 117.460 115.700 -0.126 0.000 2.572 415 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 415 S C -2.032 172.493 174.600 -0.125 0.000 1.341 415 S CA -0.822 57.313 58.200 -0.109 0.000 1.043 415 S CB 0.332 63.461 63.200 -0.119 0.000 0.887 415 S HN 0.085 nan 8.310 nan 0.000 0.516 416 P HA 0.123 nan 4.420 nan 0.000 0.265 416 P C -0.741 176.486 177.300 -0.122 0.000 1.193 416 P CA 0.183 63.240 63.100 -0.072 0.000 0.765 416 P CB 0.423 32.102 31.700 -0.034 0.000 0.823 417 R N 1.207 121.614 120.500 -0.155 0.000 2.744 417 R HA 0.702 5.042 4.340 -0.000 0.000 0.279 417 R C -0.359 175.898 176.300 -0.073 0.000 0.977 417 R CA -0.675 55.256 56.100 -0.282 0.000 0.906 417 R CB 2.255 32.003 30.300 -0.920 0.000 1.197 417 R HN 0.502 nan 8.270 nan 0.000 0.463 418 T N -1.492 113.099 114.554 0.061 0.000 3.011 418 T HA 0.279 4.629 4.350 -0.000 0.000 0.303 418 T C -0.417 174.510 174.700 0.378 0.000 0.997 418 T CA -1.094 61.156 62.100 0.249 0.000 1.007 418 T CB 1.429 70.396 68.868 0.164 0.000 1.017 418 T HN 0.461 nan 8.240 nan 0.000 0.443 419 E N 1.279 121.727 120.200 0.414 0.000 2.481 419 E HA 0.404 4.754 4.350 -0.000 0.000 0.263 419 E C 0.622 177.331 176.600 0.181 0.000 0.992 419 E CA 0.577 57.135 56.400 0.263 0.000 0.938 419 E CB 0.191 29.854 29.700 -0.062 0.000 0.933 419 E HN 1.229 nan 8.360 nan 0.000 0.453 420 G N 2.243 111.064 108.800 0.034 0.000 2.492 420 G HA2 0.150 4.110 3.960 -0.000 0.000 0.283 420 G HA3 0.150 4.110 3.960 -0.000 0.000 0.283 420 G C -1.234 173.275 174.900 -0.652 0.000 1.274 420 G CA -0.669 44.134 45.100 -0.494 0.000 1.215 420 G HN 0.428 nan 8.290 nan 0.000 0.598 421 E N 1.744 121.255 120.200 -1.149 0.000 2.349 421 E HA 0.524 4.874 4.350 -0.000 0.000 0.290 421 E C -0.851 175.376 176.600 -0.623 0.000 0.901 421 E CA -0.972 55.128 56.400 -0.501 0.000 0.800 421 E CB 0.571 30.270 29.700 -0.002 0.000 1.303 421 E HN 0.426 nan 8.360 nan 0.000 0.397 422 W N 4.328 125.710 121.300 0.137 0.000 1.689 422 W HA 0.402 5.062 4.660 -0.000 0.000 0.294 422 W C -0.191 176.393 176.519 0.108 0.000 0.824 422 W CA -0.753 56.664 57.345 0.119 0.000 2.398 422 W CB 0.769 30.279 29.460 0.083 0.000 2.375 422 W HN 0.330 nan 8.180 nan 0.000 0.478 423 S N -0.154 115.692 115.700 0.243 0.000 2.652 423 S HA 0.376 4.846 4.470 -0.000 0.000 0.267 423 S C 0.159 174.854 174.600 0.159 0.000 1.201 423 S CA -0.270 57.974 58.200 0.074 0.000 0.996 423 S CB 0.457 63.621 63.200 -0.060 0.000 1.054 423 S HN 0.266 nan 8.310 nan 0.000 0.561 424 F N 1.439 121.503 119.950 0.189 0.000 2.861 424 F HA -0.223 4.304 4.527 -0.000 0.000 0.230 424 F C 0.610 176.493 175.800 0.138 0.000 1.020 424 F CA 0.261 58.360 58.000 0.166 0.000 0.852 424 F CB -2.158 36.957 39.000 0.191 0.000 0.724 424 F HN 0.543 nan 8.300 nan 0.000 0.843 425 N N -2.144 116.673 118.700 0.196 0.000 2.714 425 N HA -0.239 4.500 4.740 -0.000 0.000 0.253 425 N C 1.118 176.753 175.510 0.207 0.000 1.024 425 N CA 0.772 53.928 53.050 0.176 0.000 0.726 425 N CB -0.934 37.640 38.487 0.144 0.000 0.908 425 N HN 0.693 nan 8.380 nan 0.000 0.542 426 A N 0.139 123.116 122.820 0.262 0.000 1.968 426 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 426 A C 1.940 179.709 177.584 0.307 0.000 1.169 426 A CA 1.484 53.692 52.037 0.284 0.000 0.638 426 A CB -0.063 19.136 19.000 0.331 0.000 0.812 426 A HN 0.519 nan 8.150 nan 0.000 0.446 427 E N 0.340 120.717 120.200 0.295 0.000 2.274 427 E HA -0.115 4.234 4.350 -0.000 0.000 0.194 427 E C 1.181 177.872 176.600 0.151 0.000 0.996 427 E CA 1.173 57.703 56.400 0.216 0.000 0.840 427 E CB -0.067 29.709 29.700 0.127 0.000 0.772 427 E HN 0.747 nan 8.360 nan 0.000 0.491 428 E N 0.394 120.676 120.200 0.135 0.000 2.463 428 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 428 E C -0.246 176.412 176.600 0.097 0.000 1.041 428 E CA 0.042 56.502 56.400 0.100 0.000 0.879 428 E CB 0.600 30.351 29.700 0.085 0.000 0.997 428 E HN 0.008 nan 8.360 nan 0.000 0.478 429 T N 1.395 116.019 114.554 0.116 0.000 2.882 429 T HA 0.169 4.519 4.350 -0.000 0.000 0.287 429 T C 0.021 174.774 174.700 0.089 0.000 0.992 429 T CA -0.544 61.611 62.100 0.092 0.000 1.076 429 T CB 1.296 70.217 68.868 0.089 0.000 0.961 429 T HN -0.084 nan 8.240 nan 0.000 0.490 430 E N 1.849 122.088 120.200 0.065 0.000 2.324 430 E HA 0.234 4.584 4.350 -0.000 0.000 0.271 430 E C -0.559 176.085 176.600 0.074 0.000 1.028 430 E CA -0.033 56.406 56.400 0.065 0.000 0.890 430 E CB 0.430 30.158 29.700 0.046 0.000 1.004 430 E HN 0.290 nan 8.360 nan 0.000 0.431 431 V N 3.260 123.234 119.914 0.099 0.000 2.498 431 V HA 0.439 4.559 4.120 -0.000 0.000 0.279 431 V C 0.467 176.628 176.094 0.111 0.000 1.048 431 V CA -0.631 61.747 62.300 0.131 0.000 0.967 431 V CB 1.180 33.098 31.823 0.159 0.000 0.988 431 V HN 0.786 nan 8.190 nan 0.000 0.473 432 A N 3.241 126.135 122.820 0.123 0.000 2.322 432 A HA 0.464 4.784 4.320 -0.000 0.000 0.269 432 A C -0.002 177.656 177.584 0.123 0.000 1.094 432 A CA -0.362 51.738 52.037 0.106 0.000 0.807 432 A CB 0.428 19.485 19.000 0.096 0.000 1.047 432 A HN 0.818 nan 8.150 nan 0.000 0.487 433 D N 1.045 121.502 120.400 0.096 0.000 2.456 433 D HA 0.473 5.113 4.640 -0.000 0.000 0.219 433 D C -0.267 176.092 176.300 0.098 0.000 1.126 433 D CA 0.340 54.396 54.000 0.093 0.000 0.890 433 D CB 0.087 40.928 40.800 0.070 0.000 1.025 433 D HN 0.575 nan 8.370 nan 0.000 0.511 434 S N 1.727 117.504 115.700 0.128 0.000 2.656 434 S HA 0.295 4.765 4.470 -0.000 0.000 0.273 434 S C 0.900 175.612 174.600 0.185 0.000 1.168 434 S CA -0.809 57.475 58.200 0.142 0.000 0.817 434 S CB 1.451 64.742 63.200 0.152 0.000 1.146 434 S HN 0.081 nan 8.310 nan 0.000 0.475 435 E N 1.356 121.688 120.200 0.220 0.000 2.147 435 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 435 E C 1.860 178.717 176.600 0.429 0.000 1.005 435 E CA 2.202 58.801 56.400 0.333 0.000 0.810 435 E CB -0.210 29.704 29.700 0.357 0.000 0.736 435 E HN 0.691 nan 8.360 nan 0.000 0.460 436 E N -0.008 120.443 120.200 0.418 0.000 2.085 436 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 436 E C 1.105 177.738 176.600 0.055 0.000 0.994 436 E CA 0.985 57.501 56.400 0.194 0.000 0.801 436 E CB -0.360 29.494 29.700 0.256 0.000 0.743 436 E HN 0.261 nan 8.360 nan 0.000 0.453 437 N N 1.200 119.975 118.700 0.125 0.000 2.314 437 N HA 0.015 4.755 4.740 -0.000 0.000 0.200 437 N C -0.015 175.525 175.510 0.050 0.000 1.135 437 N CA 0.075 53.167 53.050 0.070 0.000 0.835 437 N CB 0.359 38.930 38.487 0.140 0.000 0.989 437 N HN 0.155 nan 8.380 nan 0.000 0.478 438 K N 1.541 121.981 120.400 0.066 0.000 2.412 438 K HA 0.014 4.334 4.320 -0.000 0.000 0.281 438 K C 0.256 176.866 176.600 0.016 0.000 1.027 438 K CA 0.064 56.389 56.287 0.063 0.000 0.989 438 K CB 0.224 32.789 32.500 0.110 0.000 0.935 438 K HN 0.074 nan 8.250 nan 0.000 0.475 439 N N 1.750 120.460 118.700 0.017 0.000 2.741 439 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 439 N C -1.224 174.271 175.510 -0.025 0.000 1.115 439 N CA 1.368 54.417 53.050 -0.001 0.000 0.724 439 N CB -1.345 37.139 38.487 -0.006 0.000 1.090 439 N HN 0.586 nan 8.380 nan 0.000 0.558 440 T N 1.431 115.973 114.554 -0.019 0.000 2.794 440 T HA 0.220 4.570 4.350 -0.000 0.000 0.280 440 T C 0.215 174.924 174.700 0.014 0.000 0.987 440 T CA -0.861 61.219 62.100 -0.034 0.000 0.993 440 T CB 1.861 70.689 68.868 -0.067 0.000 0.939 440 T HN 0.105 nan 8.240 nan 0.000 0.449 441 D N 2.715 123.130 120.400 0.026 0.000 2.382 441 D HA 0.011 4.651 4.640 -0.000 0.000 0.240 441 D C 1.038 177.400 176.300 0.103 0.000 1.146 441 D CA -0.379 53.658 54.000 0.060 0.000 0.897 441 D CB 1.177 42.017 40.800 0.067 0.000 1.197 441 D HN 0.549 nan 8.370 nan 0.000 0.432 442 Q N -0.075 119.788 119.800 0.104 0.000 2.118 442 Q HA -0.311 4.028 4.340 -0.000 0.000 0.211 442 Q C 1.803 177.933 176.000 0.217 0.000 0.998 442 Q CA 1.858 57.739 55.803 0.131 0.000 0.872 442 Q CB -0.464 28.327 28.738 0.088 0.000 0.925 442 Q HN 0.606 nan 8.270 nan 0.000 0.414 443 H N 0.255 119.377 119.070 0.086 0.000 2.326 443 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 443 H C 1.817 177.385 175.328 0.400 0.000 1.081 443 H CA 1.287 57.408 56.048 0.122 0.000 1.334 443 H CB -0.187 29.583 29.762 0.012 0.000 1.385 443 H HN 0.109 nan 8.280 nan 0.000 0.504 444 L N 0.079 121.493 121.223 0.318 0.000 2.056 444 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 444 L C 2.398 179.370 176.870 0.170 0.000 1.078 444 L CA 1.517 56.483 54.840 0.211 0.000 0.749 444 L CB -0.829 41.259 42.059 0.048 0.000 0.901 444 L HN 0.334 nan 8.230 nan 0.000 0.433 445 A N -1.742 121.184 122.820 0.177 0.000 2.225 445 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 445 A C 1.903 179.717 177.584 0.383 0.000 1.164 445 A CA 1.742 53.912 52.037 0.222 0.000 0.710 445 A CB -0.968 18.142 19.000 0.184 0.000 0.780 445 A HN 0.554 nan 8.150 nan 0.000 0.473 446 T N -4.188 110.615 114.554 0.414 0.000 3.040 446 T HA 0.305 4.655 4.350 -0.000 0.000 0.266 446 T C 0.645 175.619 174.700 0.456 0.000 1.005 446 T CA 0.430 62.795 62.100 0.441 0.000 0.906 446 T CB -0.125 68.995 68.868 0.420 0.000 1.082 446 T HN 0.174 nan 8.240 nan 0.000 0.531 447 S N 0.885 116.784 115.700 0.332 0.000 2.565 447 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 447 S C 1.191 175.887 174.600 0.160 0.000 1.326 447 S CA -0.693 57.374 58.200 -0.222 0.000 1.045 447 S CB 0.690 63.626 63.200 -0.440 0.000 0.918 447 S HN 0.419 nan 8.310 nan 0.000 0.505 448 R N 2.447 122.917 120.500 -0.049 0.000 2.276 448 R HA 0.099 4.439 4.340 -0.000 0.000 0.196 448 R C 0.079 176.459 176.300 0.134 0.000 0.961 448 R CA 0.263 56.324 56.100 -0.064 0.000 1.024 448 R CB 0.306 30.367 30.300 -0.398 0.000 0.940 448 R HN 0.704 nan 8.270 nan 0.000 0.480 449 W N 1.878 123.175 121.300 -0.006 0.000 2.336 449 W HA 0.391 5.050 4.660 -0.000 0.000 0.315 449 W C -1.073 175.513 176.519 0.112 0.000 1.016 449 W CA -0.704 56.769 57.345 0.212 0.000 1.318 449 W CB 0.736 30.342 29.460 0.244 0.000 1.247 449 W HN -0.141 nan 8.180 nan 0.000 0.414 450 R N 3.997 124.398 120.500 -0.165 0.000 2.740 450 R HA 0.340 4.680 4.340 -0.000 0.000 0.273 450 R C -0.868 174.710 176.300 -1.204 0.000 0.998 450 R CA -0.970 54.644 56.100 -0.809 0.000 0.900 450 R CB 3.331 32.863 30.300 -1.279 0.000 1.223 450 R HN 0.432 nan 8.270 nan 0.000 0.466 451 K N 1.257 120.619 120.400 -1.729 0.000 2.203 451 K HA 0.589 4.909 4.320 -0.000 0.000 0.251 451 K C -1.223 174.340 176.600 -1.728 0.000 0.944 451 K CA -0.551 54.620 56.287 -1.860 0.000 0.829 451 K CB 1.350 32.387 32.500 -2.437 0.000 1.125 451 K HN 0.248 nan 8.250 nan 0.000 0.430 452 F N 0.542 120.084 119.950 -0.679 0.000 2.569 452 F HA 0.254 4.781 4.527 -0.000 0.000 0.312 452 F C 0.162 175.830 175.800 -0.219 0.000 1.109 452 F CA -0.867 56.851 58.000 -0.469 0.000 0.919 452 F CB 2.333 41.128 39.000 -0.342 0.000 1.211 452 F HN 0.729 nan 8.300 nan 0.000 0.446 453 S N 1.314 117.032 115.700 0.031 0.000 2.603 453 S HA 0.342 4.811 4.470 -0.000 0.000 0.268 453 S C 1.168 175.882 174.600 0.190 0.000 1.317 453 S CA -0.613 57.635 58.200 0.080 0.000 1.012 453 S CB 1.576 64.812 63.200 0.060 0.000 0.926 453 S HN 0.766 nan 8.310 nan 0.000 0.539 454 R N 0.707 121.281 120.500 0.123 0.000 2.081 454 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 454 R C 2.092 178.451 176.300 0.098 0.000 1.131 454 R CA 1.690 57.855 56.100 0.108 0.000 0.960 454 R CB -0.708 29.642 30.300 0.082 0.000 0.856 454 R HN 0.800 nan 8.270 nan 0.000 0.436 455 E N -0.737 119.522 120.200 0.099 0.000 2.110 455 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 455 E C 1.539 178.194 176.600 0.091 0.000 0.988 455 E CA 1.087 57.532 56.400 0.074 0.000 0.804 455 E CB -0.343 29.400 29.700 0.071 0.000 0.745 455 E HN 0.454 nan 8.360 nan 0.000 0.458 456 W N 1.232 122.532 121.300 0.001 0.000 2.378 456 W HA -0.108 4.552 4.660 -0.000 0.000 0.313 456 W C 2.047 178.567 176.519 0.001 0.000 1.197 456 W CA 1.458 58.808 57.345 0.008 0.000 1.304 456 W CB -0.490 28.988 29.460 0.030 0.000 1.148 456 W HN -0.061 nan 8.180 nan 0.000 0.494 457 I N 0.548 121.165 120.570 0.079 0.000 2.264 457 I HA -0.354 3.816 4.170 -0.000 0.000 0.248 457 I C 2.707 178.687 176.117 -0.227 0.000 1.111 457 I CA 1.854 63.069 61.300 -0.140 0.000 1.382 457 I CB -0.786 37.249 38.000 0.059 0.000 1.060 457 I HN 0.055 nan 8.210 nan 0.000 0.418 458 R N 0.531 120.955 120.500 -0.125 0.000 2.070 458 R HA -0.151 4.189 4.340 -0.000 0.000 0.233 458 R C 2.255 178.453 176.300 -0.169 0.000 1.137 458 R CA 2.235 58.266 56.100 -0.116 0.000 0.945 458 R CB -0.295 29.971 30.300 -0.057 0.000 0.845 458 R HN 0.248 nan 8.270 nan 0.000 0.430 459 T N 0.615 115.051 114.554 -0.197 0.000 2.612 459 T HA -0.019 4.331 4.350 -0.000 0.000 0.251 459 T C 1.827 176.339 174.700 -0.313 0.000 1.090 459 T CA 1.257 63.234 62.100 -0.206 0.000 1.198 459 T CB -0.600 68.176 68.868 -0.152 0.000 0.878 459 T HN 0.460 nan 8.240 nan 0.000 0.401 460 A N 1.805 124.305 122.820 -0.534 0.000 1.859 460 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 460 A C 2.154 179.401 177.584 -0.562 0.000 1.198 460 A CA 1.567 53.230 52.037 -0.622 0.000 0.629 460 A CB -0.428 17.888 19.000 -1.139 0.000 0.830 460 A HN 0.245 nan 8.150 nan 0.000 0.446 461 K N 0.096 120.053 120.400 -0.739 0.000 2.487 461 K HA 0.115 4.434 4.320 -0.000 0.000 0.192 461 K C 0.349 176.791 176.600 -0.263 0.000 1.027 461 K CA 0.718 56.728 56.287 -0.462 0.000 1.054 461 K CB -0.110 32.095 32.500 -0.492 0.000 0.824 461 K HN 0.450 nan 8.250 nan 0.000 0.510 462 S N 2.205 117.760 115.700 -0.242 0.000 3.614 462 S HA -0.144 4.326 4.470 -0.000 0.000 0.360 462 S C -0.636 173.887 174.600 -0.128 0.000 1.023 462 S CA 0.878 58.985 58.200 -0.155 0.000 1.114 462 S CB -1.276 61.851 63.200 -0.120 0.000 0.907 462 S HN 0.453 nan 8.310 nan 0.000 0.470 463 D N -0.234 120.084 120.400 -0.137 0.000 2.705 463 D HA -0.134 4.506 4.640 -0.000 0.000 0.240 463 D C -0.107 176.142 176.300 -0.085 0.000 1.137 463 D CA 1.583 55.522 54.000 -0.101 0.000 0.677 463 D CB -1.229 39.519 40.800 -0.086 0.000 1.049 463 D HN 0.643 nan 8.370 nan 0.000 0.427 464 S N -0.294 115.354 115.700 -0.087 0.000 2.521 464 S HA 0.628 5.097 4.470 -0.000 0.000 0.295 464 S C 0.656 175.236 174.600 -0.032 0.000 1.098 464 S CA -0.804 57.368 58.200 -0.046 0.000 0.999 464 S CB 1.208 64.391 63.200 -0.028 0.000 1.034 464 S HN 0.232 nan 8.310 nan 0.000 0.483 465 L N 2.887 124.104 121.223 -0.010 0.000 2.741 465 L HA 0.336 4.676 4.340 -0.000 0.000 0.237 465 L C 0.410 177.299 176.870 0.032 0.000 1.178 465 L CA -0.023 54.823 54.840 0.009 0.000 0.973 465 L CB 0.003 42.064 42.059 0.003 0.000 1.255 465 L HN 0.584 nan 8.230 nan 0.000 0.498 466 D N 1.719 122.152 120.400 0.056 0.000 2.845 466 D HA 0.157 4.796 4.640 -0.000 0.000 0.235 466 D C 0.190 176.531 176.300 0.068 0.000 1.158 466 D CA -0.045 54.013 54.000 0.098 0.000 0.990 466 D CB -0.172 40.754 40.800 0.210 0.000 1.094 466 D HN 0.163 nan 8.370 nan 0.000 0.486 467 I N 1.139 121.739 120.570 0.050 0.000 2.352 467 I HA 0.164 4.334 4.170 -0.000 0.000 0.290 467 I C 0.397 176.577 176.117 0.106 0.000 1.036 467 I CA -0.288 61.032 61.300 0.033 0.000 1.336 467 I CB 1.122 39.039 38.000 -0.138 0.000 1.407 467 I HN 0.071 nan 8.210 nan 0.000 0.497 468 S N 6.264 122.053 115.700 0.147 0.000 2.536 468 S HA 0.543 5.013 4.470 -0.000 0.000 0.271 468 S C -0.964 173.779 174.600 0.240 0.000 1.134 468 S CA -0.667 57.575 58.200 0.069 0.000 0.897 468 S CB 1.000 64.186 63.200 -0.024 0.000 1.094 468 S HN 0.657 nan 8.310 nan 0.000 0.473 469 W N 4.575 125.902 121.300 0.046 0.000 1.578 469 W HA 0.633 5.293 4.660 -0.000 0.000 0.264 469 W C -1.586 174.972 176.519 0.065 0.000 0.867 469 W CA -0.708 56.677 57.345 0.067 0.000 1.833 469 W CB -0.130 29.391 29.460 0.101 0.000 1.008 469 W HN 0.363 nan 8.180 nan 0.000 0.460 470 L N 2.355 123.442 121.223 -0.227 0.000 2.436 470 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 470 L C -0.165 176.655 176.870 -0.084 0.000 0.974 470 L CA -1.084 53.658 54.840 -0.163 0.000 0.826 470 L CB 2.523 44.395 42.059 -0.312 0.000 1.291 470 L HN -0.140 nan 8.230 nan 0.000 0.406 471 K N 1.820 122.210 120.400 -0.018 0.000 2.156 471 K HA 0.265 4.585 4.320 -0.000 0.000 0.271 471 K C -0.882 175.712 176.600 -0.010 0.000 0.995 471 K CA -0.675 55.608 56.287 -0.007 0.000 0.890 471 K CB 1.559 34.070 32.500 0.018 0.000 1.073 471 K HN 0.478 nan 8.250 nan 0.000 0.454 472 D N 2.307 122.698 120.400 -0.015 0.000 2.313 472 D HA 0.093 4.733 4.640 -0.000 0.000 0.247 472 D C -0.328 175.973 176.300 0.002 0.000 1.094 472 D CA -0.095 53.899 54.000 -0.010 0.000 0.925 472 D CB 0.976 41.766 40.800 -0.017 0.000 1.188 472 D HN 0.280 nan 8.370 nan 0.000 0.430 473 K N 1.391 121.795 120.400 0.006 0.000 2.397 473 K HA 0.009 4.329 4.320 -0.000 0.000 0.265 473 K C 0.227 176.831 176.600 0.007 0.000 0.982 473 K CA -0.077 56.217 56.287 0.011 0.000 0.931 473 K CB 0.477 32.984 32.500 0.012 0.000 0.943 473 K HN 0.363 nan 8.250 nan 0.000 0.501 483 E N -0.697 119.519 120.200 0.027 0.000 2.649 483 E HA 0.358 4.708 4.350 -0.000 0.000 0.308 483 E C -2.593 174.022 176.600 0.025 0.000 1.017 483 E CA -0.910 55.502 56.400 0.021 0.000 0.848 483 E CB 1.444 31.148 29.700 0.005 0.000 1.240 483 E HN 0.019 nan 8.360 nan 0.000 0.421 484 P HA -0.203 nan 4.420 nan 0.000 0.208 484 P C 0.765 178.062 177.300 -0.005 0.000 1.180 484 P CA 2.134 65.267 63.100 0.055 0.000 0.935 484 P CB 0.063 31.791 31.700 0.047 0.000 0.785 485 D N -0.759 119.637 120.400 -0.006 0.000 2.265 485 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 485 D C 1.629 177.892 176.300 -0.061 0.000 0.977 485 D CA 1.181 55.168 54.000 -0.022 0.000 0.871 485 D CB -0.717 40.095 40.800 0.019 0.000 0.925 485 D HN 0.092 nan 8.370 nan 0.000 0.485 486 V N 0.745 120.623 119.914 -0.059 0.000 2.500 486 V HA -0.084 4.036 4.120 -0.000 0.000 0.243 486 V C 2.754 178.764 176.094 -0.140 0.000 1.039 486 V CA 0.526 62.781 62.300 -0.076 0.000 1.053 486 V CB -0.258 31.539 31.823 -0.043 0.000 0.695 486 V HN 0.156 nan 8.190 nan 0.000 0.463 487 L N 0.255 121.386 121.223 -0.154 0.000 2.056 487 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 487 L C 2.751 179.242 176.870 -0.632 0.000 1.078 487 L CA 1.483 56.147 54.840 -0.293 0.000 0.749 487 L CB -0.767 41.234 42.059 -0.097 0.000 0.901 487 L HN 0.362 nan 8.230 nan 0.000 0.433 488 A N 0.217 122.705 122.820 -0.553 0.000 1.902 488 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 488 A C 2.546 179.851 177.584 -0.465 0.000 1.181 488 A CA 1.785 53.425 52.037 -0.661 0.000 0.623 488 A CB -0.681 18.100 19.000 -0.364 0.000 0.818 488 A HN 0.398 nan 8.150 nan 0.000 0.443 489 A N 0.897 123.537 122.820 -0.300 0.000 1.865 489 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 489 A C 1.999 179.457 177.584 -0.210 0.000 1.191 489 A CA 1.886 53.798 52.037 -0.208 0.000 0.623 489 A CB -0.809 18.112 19.000 -0.130 0.000 0.826 489 A HN 0.776 nan 8.150 nan 0.000 0.444 490 E N 0.518 120.584 120.200 -0.224 0.000 2.110 490 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 490 E C 1.372 177.834 176.600 -0.229 0.000 0.988 490 E CA 0.579 56.866 56.400 -0.189 0.000 0.804 490 E CB -0.687 28.914 29.700 -0.165 0.000 0.745 490 E HN 0.560 nan 8.360 nan 0.000 0.458 494 E N 0.804 120.971 120.200 -0.056 0.000 2.047 494 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 494 E C 2.452 179.043 176.600 -0.016 0.000 0.987 494 E CA 1.002 57.384 56.400 -0.030 0.000 0.799 494 E CB -0.127 29.557 29.700 -0.026 0.000 0.752 494 E HN 0.431 nan 8.360 nan 0.000 0.449 495 L N 0.581 121.791 121.223 -0.022 0.000 2.042 495 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 495 L C 2.456 179.322 176.870 -0.005 0.000 1.076 495 L CA 0.814 55.651 54.840 -0.005 0.000 0.749 495 L CB -0.566 41.487 42.059 -0.009 0.000 0.893 495 L HN 0.067 nan 8.230 nan 0.000 0.432 496 V N -0.525 119.380 119.914 -0.015 0.000 2.343 496 V HA -0.309 3.810 4.120 -0.000 0.000 0.247 496 V C 2.488 178.574 176.094 -0.013 0.000 1.051 496 V CA 1.909 64.200 62.300 -0.015 0.000 1.036 496 V CB -0.479 31.331 31.823 -0.021 0.000 0.654 496 V HN 0.444 nan 8.190 nan 0.000 0.451 497 Q N 0.605 120.398 119.800 -0.012 0.000 2.050 497 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 497 Q C 2.176 178.176 176.000 0.001 0.000 0.980 497 Q CA 2.353 58.152 55.803 -0.007 0.000 0.840 497 Q CB -0.663 28.072 28.738 -0.006 0.000 0.898 497 Q HN 0.575 nan 8.270 nan 0.000 0.424 498 A N 0.174 122.998 122.820 0.006 0.000 1.877 498 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 498 A C 2.174 179.762 177.584 0.006 0.000 1.186 498 A CA 1.514 53.561 52.037 0.016 0.000 0.620 498 A CB -0.924 18.092 19.000 0.026 0.000 0.822 498 A HN 0.465 nan 8.150 nan 0.000 0.443 499 L N -0.268 120.955 121.223 -0.001 0.000 2.079 499 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 499 L C 2.901 179.759 176.870 -0.019 0.000 1.081 499 L CA 1.536 56.370 54.840 -0.010 0.000 0.752 499 L CB -0.434 41.620 42.059 -0.007 0.000 0.896 499 L HN 0.370 nan 8.230 nan 0.000 0.433 500 S N -0.337 115.354 115.700 -0.015 0.000 2.343 500 S HA -0.210 4.260 4.470 -0.000 0.000 0.219 500 S C 1.795 176.384 174.600 -0.017 0.000 1.033 500 S CA 1.428 59.618 58.200 -0.018 0.000 1.014 500 S CB -0.244 62.947 63.200 -0.015 0.000 0.915 500 S HN 0.436 nan 8.310 nan 0.000 0.435 501 E N 0.821 121.017 120.200 -0.007 0.000 2.070 501 E HA -0.192 4.157 4.350 -0.000 0.000 0.197 501 E C 2.081 178.671 176.600 -0.017 0.000 1.004 501 E CA 1.171 57.572 56.400 0.001 0.000 0.805 501 E CB -0.314 29.398 29.700 0.020 0.000 0.744 501 E HN 0.225 nan 8.360 nan 0.000 0.451 502 L N 1.524 122.725 121.223 -0.036 0.000 2.079 502 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 502 L C 1.893 178.686 176.870 -0.128 0.000 1.081 502 L CA 1.895 56.669 54.840 -0.110 0.000 0.752 502 L CB -0.422 41.570 42.059 -0.111 0.000 0.896 502 L HN 0.096 nan 8.230 nan 0.000 0.433 503 D N -0.576 119.781 120.400 -0.071 0.000 2.097 503 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 503 D C 2.095 178.364 176.300 -0.052 0.000 0.989 503 D CA 1.336 55.301 54.000 -0.058 0.000 0.827 503 D CB 0.181 40.959 40.800 -0.037 0.000 0.966 503 D HN 0.442 nan 8.370 nan 0.000 0.456 504 A N 1.279 124.077 122.820 -0.037 0.000 1.903 504 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 504 A C 1.731 179.303 177.584 -0.019 0.000 1.191 504 A CA 0.941 52.965 52.037 -0.020 0.000 0.638 504 A CB -0.996 18.000 19.000 -0.006 0.000 0.823 504 A HN 0.347 nan 8.150 nan 0.000 0.451 508 E N 1.352 121.545 120.200 -0.012 0.000 2.437 508 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 508 E C -0.500 176.102 176.600 0.003 0.000 1.029 508 E CA -0.179 56.220 56.400 -0.003 0.000 0.948 508 E CB 0.441 30.144 29.700 0.005 0.000 1.082 508 E HN 0.080 nan 8.360 nan 0.000 0.456 509 L N 1.215 122.435 121.223 -0.005 0.000 2.648 509 L HA 0.317 4.657 4.340 -0.000 0.000 0.238 509 L C 0.478 177.335 176.870 -0.022 0.000 1.316 509 L CA -0.116 54.722 54.840 -0.003 0.000 1.241 509 L CB 0.100 42.156 42.059 -0.004 0.000 1.499 509 L HN 0.016 nan 8.230 nan 0.000 0.411 510 G N 2.672 111.464 108.800 -0.014 0.000 2.279 510 G HA2 0.156 4.116 3.960 -0.000 0.000 0.285 510 G HA3 0.156 4.116 3.960 -0.000 0.000 0.285 510 G C 0.604 175.487 174.900 -0.028 0.000 0.910 510 G CA 0.201 45.289 45.100 -0.020 0.000 1.477 510 G HN 0.866 nan 8.290 nan 0.000 0.385 511 A N 3.040 125.835 122.820 -0.043 0.000 2.537 511 A HA 0.548 4.867 4.320 -0.000 0.000 0.260 511 A C 0.931 178.492 177.584 -0.038 0.000 1.082 511 A CA 0.664 52.669 52.037 -0.054 0.000 0.765 511 A CB -0.124 18.834 19.000 -0.070 0.000 1.019 511 A HN 2.099 nan 8.150 nan 0.000 0.507 512 S N 0.914 116.594 115.700 -0.034 0.000 2.688 512 S HA 0.258 4.728 4.470 -0.000 0.000 0.266 512 S C -0.430 174.158 174.600 -0.020 0.000 1.061 512 S CA -0.502 57.684 58.200 -0.023 0.000 0.844 512 S CB 0.421 63.612 63.200 -0.016 0.000 1.103 512 S HN 0.475 nan 8.310 nan 0.000 0.471 513 D N 0.408 120.800 120.400 -0.013 0.000 2.349 513 D HA 0.121 4.760 4.640 -0.000 0.000 0.224 513 D C 1.030 177.327 176.300 -0.005 0.000 1.029 513 D CA 0.524 54.519 54.000 -0.009 0.000 0.879 513 D CB 0.150 40.947 40.800 -0.006 0.000 0.906 513 D HN 0.499 nan 8.370 nan 0.000 0.528 514 E N 1.276 121.474 120.200 -0.005 0.000 2.016 514 E HA -0.052 4.297 4.350 -0.000 0.000 0.190 514 E C 2.152 178.754 176.600 0.003 0.000 0.985 514 E CA 1.032 57.432 56.400 -0.000 0.000 0.802 514 E CB -0.220 29.480 29.700 -0.000 0.000 0.762 514 E HN 0.148 nan 8.360 nan 0.000 0.448 515 A N 1.005 123.826 122.820 0.002 0.000 2.024 515 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 515 A C 1.489 179.079 177.584 0.009 0.000 1.164 515 A CA 1.997 54.040 52.037 0.009 0.000 0.643 515 A CB -0.669 18.336 19.000 0.008 0.000 0.806 515 A HN 0.181 nan 8.150 nan 0.000 0.451 516 D N -0.199 120.203 120.400 0.003 0.000 2.084 516 D HA -0.111 4.529 4.640 -0.000 0.000 0.194 516 D C 1.553 177.857 176.300 0.008 0.000 0.990 516 D CA 1.257 55.259 54.000 0.004 0.000 0.826 516 D CB -0.237 40.562 40.800 -0.001 0.000 0.971 516 D HN 0.368 nan 8.370 nan 0.000 0.453 517 L N 0.008 121.235 121.223 0.007 0.000 2.354 517 L HA 0.104 4.444 4.340 -0.000 0.000 0.212 517 L C 2.202 179.078 176.870 0.011 0.000 1.091 517 L CA 0.837 55.682 54.840 0.008 0.000 0.828 517 L CB -0.308 41.756 42.059 0.007 0.000 0.973 517 L HN -0.054 nan 8.230 nan 0.000 0.461 518 Q N -0.737 119.069 119.800 0.011 0.000 2.119 518 Q HA -0.151 4.189 4.340 -0.000 0.000 0.201 518 Q C 2.302 178.311 176.000 0.016 0.000 0.972 518 Q CA 0.944 56.755 55.803 0.013 0.000 0.847 518 Q CB -0.070 28.675 28.738 0.013 0.000 0.903 518 Q HN 0.258 nan 8.270 nan 0.000 0.433 519 R N 1.105 121.615 120.500 0.017 0.000 2.075 519 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 519 R C 1.956 178.264 176.300 0.012 0.000 1.126 519 R CA 1.958 58.069 56.100 0.018 0.000 0.963 519 R CB 0.033 30.347 30.300 0.022 0.000 0.858 519 R HN 0.386 nan 8.270 nan 0.000 0.435 520 Q N -0.069 119.738 119.800 0.011 0.000 2.435 520 Q HA -0.065 4.275 4.340 -0.000 0.000 0.207 520 Q C 1.746 177.754 176.000 0.013 0.000 0.956 520 Q CA 0.747 56.556 55.803 0.009 0.000 0.917 520 Q CB -0.317 28.426 28.738 0.008 0.000 0.997 520 Q HN 0.204 nan 8.270 nan 0.000 0.497 521 L N 0.122 121.354 121.223 0.016 0.000 2.291 521 L HA 0.098 4.438 4.340 -0.000 0.000 0.214 521 L C 1.583 178.467 176.870 0.023 0.000 1.120 521 L CA 1.340 56.191 54.840 0.019 0.000 0.799 521 L CB -0.100 41.969 42.059 0.017 0.000 0.925 521 L HN 0.351 nan 8.230 nan 0.000 0.446 522 L N -1.351 119.884 121.223 0.021 0.000 2.209 522 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 522 L C 2.150 179.034 176.870 0.024 0.000 1.094 522 L CA 0.769 55.623 54.840 0.023 0.000 0.790 522 L CB -0.654 41.416 42.059 0.018 0.000 0.932 522 L HN 0.267 nan 8.230 nan 0.000 0.447 523 E N 0.528 120.736 120.200 0.013 0.000 2.274 523 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 523 E C 1.548 178.163 176.600 0.025 0.000 0.996 523 E CA 0.554 56.955 56.400 0.001 0.000 0.840 523 E CB 0.007 29.700 29.700 -0.012 0.000 0.772 523 E HN 0.370 nan 8.360 nan 0.000 0.491 524 E N 0.512 120.733 120.200 0.035 0.000 2.516 524 E HA -0.011 4.339 4.350 -0.000 0.000 0.199 524 E C 0.664 177.310 176.600 0.076 0.000 1.069 524 E CA 0.347 56.777 56.400 0.051 0.000 0.876 524 E CB 0.207 29.929 29.700 0.036 0.000 0.843 524 E HN 0.232 nan 8.360 nan 0.000 0.530 525 A N -0.083 122.788 122.820 0.085 0.000 2.708 525 A HA 0.328 4.648 4.320 -0.000 0.000 0.293 525 A C 0.048 177.761 177.584 0.215 0.000 1.303 525 A CA -0.461 51.643 52.037 0.112 0.000 0.949 525 A CB -0.560 18.485 19.000 0.075 0.000 1.121 525 A HN 0.310 nan 8.150 nan 0.000 0.542 526 F N -1.313 118.637 119.950 -0.000 0.000 2.183 526 F HA -0.031 4.495 4.527 -0.000 0.000 0.318 526 F C 0.511 176.310 175.800 -0.002 0.000 0.130 526 F CA 1.272 59.272 58.000 -0.001 0.000 0.912 526 F CB -0.890 38.109 39.000 -0.001 0.000 4.135 526 F HN 1.090 nan 8.300 nan 0.000 0.137 527 G N 0.048 108.742 108.800 -0.177 0.000 2.443 527 G HA2 0.720 4.680 3.960 -0.000 0.000 0.303 527 G HA3 0.720 4.680 3.960 -0.000 0.000 0.303 527 G C -0.356 174.466 174.900 -0.130 0.000 1.613 527 G CA 0.937 45.949 45.100 -0.147 0.000 0.879 527 G HN 2.554 nan 8.290 nan 0.000 0.632 528 G N -0.840 107.957 108.800 -0.004 0.000 2.880 528 G HA2 0.395 4.355 3.960 -0.000 0.000 0.617 528 G HA3 0.395 4.355 3.960 -0.000 0.000 0.617 528 G C 0.503 175.481 174.900 0.130 0.000 1.493 528 G CA 0.168 45.284 45.100 0.027 0.000 0.916 528 G HN 2.428 nan 8.290 nan 0.000 0.553 529 V N 0.000 119.971 119.914 0.096 0.000 2.409 529 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 529 V CA 0.000 62.362 62.300 0.103 0.000 1.235 529 V CB 0.000 31.918 31.823 0.159 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556