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 1kar_1_A DATA FIRST_RESID 4 DATA SEQUENCE NTIIDWNSCT AEQQRQLLXR PAISASESIT RTVNDILDNV KARGDEALRE DATA SEQUENCE YSAKFDKTTV TALKVSAEEI AAASERLSDE LKQAXAVAVK NIETFHTAQK DATA SEQUENCE LPPVDVETQP GVRCQQVTRP VASVGLYIPG GSAPLFSTVL XLATPASIAG DATA SEQUENCE CKKVVLCSPP PIADEILYAA QLCGVQDVFN VGGAQAIAAL AFGTESVPKV DATA SEQUENCE DKIFGPGNAF VTEAKRQVSQ RLDGAAIDXP AGPSEVLVIA DSGATPDFVA DATA SEQUENCE SDLLSQAEHG PDSQVILLTP AADXARRVAE AVERQLAELP RAETARQALN DATA SEQUENCE ASRLIVTKDL AQCVEISNQY GPEHLIIQTR NARELVDSIT SAGSVFLGDW DATA SEQUENCE SPESAGDYAS GTNHVLPTYG YTATCSSLGL ADFQKRXTVQ ELSKEGFSAL DATA SEQUENCE ASTIETLAAA ERLTAHKNAV TLRVNALKEQ A 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 -0.000 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 4 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 5 T N 1.022 115.577 114.554 0.001 0.000 1.137 5 T HA -0.143 4.207 4.350 -0.000 0.000 0.704 5 T C 0.003 174.708 174.700 0.008 0.000 0.977 5 T CA 0.126 62.228 62.100 0.004 0.000 3.728 5 T CB -2.072 66.799 68.868 0.005 0.000 2.113 5 T HN 0.372 nan 8.240 nan 0.000 0.377 6 I N 3.730 124.306 120.570 0.010 0.000 2.581 6 I HA 0.449 4.619 4.170 -0.000 0.000 0.288 6 I C 1.313 177.447 176.117 0.028 0.000 1.047 6 I CA -1.334 59.976 61.300 0.016 0.000 1.374 6 I CB 1.028 39.035 38.000 0.013 0.000 1.423 6 I HN 0.709 nan 8.210 nan 0.000 0.549 7 I N 3.870 124.469 120.570 0.047 0.000 2.330 7 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 7 I C -0.231 175.948 176.117 0.103 0.000 1.001 7 I CA -0.540 60.804 61.300 0.073 0.000 1.193 7 I CB 1.377 39.443 38.000 0.110 0.000 1.345 7 I HN 0.446 nan 8.210 nan 0.000 0.461 8 D N 6.911 127.359 120.400 0.079 0.000 2.453 8 D HA -0.013 4.627 4.640 -0.000 0.000 0.223 8 D C 0.943 177.320 176.300 0.129 0.000 1.183 8 D CA -0.147 53.909 54.000 0.094 0.000 0.933 8 D CB 0.501 41.329 40.800 0.048 0.000 1.038 8 D HN 0.512 nan 8.370 nan 0.000 0.513 9 W N 4.262 125.554 121.300 -0.013 0.000 2.277 9 W HA -0.299 4.361 4.660 -0.000 0.000 0.327 9 W C 0.701 177.215 176.519 -0.008 0.000 1.284 9 W CA 1.195 58.532 57.345 -0.012 0.000 1.277 9 W CB -0.054 29.398 29.460 -0.013 0.000 1.141 9 W HN 0.437 nan 8.180 nan 0.000 0.482 10 N N 0.094 118.868 118.700 0.124 0.000 2.571 10 N HA -0.079 4.661 4.740 -0.000 0.000 0.189 10 N C 1.401 176.878 175.510 -0.055 0.000 1.154 10 N CA 1.082 54.138 53.050 0.010 0.000 0.907 10 N CB -0.084 38.462 38.487 0.098 0.000 0.977 10 N HN 0.034 nan 8.380 nan 0.000 0.449 11 S N 0.024 115.690 115.700 -0.056 0.000 2.548 11 S HA 0.108 4.578 4.470 -0.000 0.000 0.215 11 S C 0.774 175.310 174.600 -0.106 0.000 0.976 11 S CA -0.262 57.902 58.200 -0.059 0.000 0.908 11 S CB 0.390 63.574 63.200 -0.028 0.000 0.781 11 S HN 0.307 nan 8.310 nan 0.000 0.519 12 C N 3.259 122.447 119.300 -0.188 0.000 2.466 12 C HA 0.544 5.004 4.460 -0.000 0.000 0.379 12 C C 1.372 176.213 174.990 -0.248 0.000 1.251 12 C CA -1.257 57.620 59.018 -0.236 0.000 2.263 12 C CB 0.342 27.866 27.740 -0.360 0.000 2.511 12 C HN 0.561 nan 8.230 nan 0.000 0.573 13 T N 0.161 114.604 114.554 -0.185 0.000 2.802 13 T HA 0.340 4.690 4.350 -0.000 0.000 0.305 13 T C 1.166 175.748 174.700 -0.197 0.000 1.053 13 T CA 0.139 62.148 62.100 -0.153 0.000 1.058 13 T CB 0.663 69.469 68.868 -0.104 0.000 0.988 13 T HN 0.845 nan 8.240 nan 0.000 0.539 14 A N 0.488 123.220 122.820 -0.147 0.000 1.933 14 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 14 A C 2.383 179.893 177.584 -0.123 0.000 1.175 14 A CA 1.443 53.398 52.037 -0.138 0.000 0.628 14 A CB -0.928 18.027 19.000 -0.075 0.000 0.814 14 A HN 0.901 nan 8.150 nan 0.000 0.444 15 E N 0.032 120.176 120.200 -0.094 0.000 2.047 15 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 15 E C 2.192 178.742 176.600 -0.085 0.000 0.987 15 E CA 1.297 57.656 56.400 -0.069 0.000 0.799 15 E CB -0.376 29.294 29.700 -0.050 0.000 0.752 15 E HN 0.754 nan 8.360 nan 0.000 0.449 16 Q N 0.065 119.797 119.800 -0.113 0.000 2.135 16 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 16 Q C 2.313 178.217 176.000 -0.159 0.000 0.981 16 Q CA 1.530 57.262 55.803 -0.118 0.000 0.856 16 Q CB -0.066 28.592 28.738 -0.132 0.000 0.902 16 Q HN 0.386 nan 8.270 nan 0.000 0.425 17 Q N 0.359 119.991 119.800 -0.280 0.000 1.967 17 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 17 Q C 2.120 178.075 176.000 -0.074 0.000 0.985 17 Q CA 1.693 57.239 55.803 -0.428 0.000 0.839 17 Q CB -0.326 27.954 28.738 -0.763 0.000 0.906 17 Q HN 0.428 nan 8.270 nan 0.000 0.423 18 R N 0.550 121.040 120.500 -0.016 0.000 2.170 18 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 18 R C 2.087 178.428 176.300 0.068 0.000 1.145 18 R CA 1.277 57.420 56.100 0.072 0.000 0.984 18 R CB -0.346 29.980 30.300 0.043 0.000 0.869 18 R HN 0.184 nan 8.270 nan 0.000 0.455 19 Q N 1.390 121.205 119.800 0.024 0.000 2.172 19 Q HA 0.036 4.376 4.340 -0.000 0.000 0.200 19 Q C 2.164 178.197 176.000 0.054 0.000 0.964 19 Q CA 1.119 56.939 55.803 0.029 0.000 0.855 19 Q CB -0.038 28.700 28.738 0.000 0.000 0.918 19 Q HN 0.479 nan 8.270 nan 0.000 0.444 20 L N -0.048 121.212 121.223 0.061 0.000 2.083 20 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 20 L C 0.690 177.636 176.870 0.126 0.000 1.083 20 L CA 0.455 55.353 54.840 0.095 0.000 0.752 20 L CB -0.159 41.983 42.059 0.138 0.000 0.899 20 L HN 0.112 nan 8.230 nan 0.000 0.433 24 P HA 0.097 nan 4.420 nan 0.000 0.266 24 P C -1.031 176.358 177.300 0.149 0.000 1.186 24 P CA -0.014 63.148 63.100 0.102 0.000 0.767 24 P CB 0.499 32.213 31.700 0.022 0.000 0.820 25 A N 2.724 125.600 122.820 0.093 0.000 2.351 25 A HA 0.364 4.684 4.320 -0.000 0.000 0.257 25 A C 0.191 177.828 177.584 0.089 0.000 1.087 25 A CA -0.582 51.511 52.037 0.093 0.000 0.798 25 A CB -0.045 18.984 19.000 0.049 0.000 1.033 25 A HN 0.550 nan 8.150 nan 0.000 0.488 26 I N 2.655 123.289 120.570 0.106 0.000 2.308 26 I HA 0.061 4.231 4.170 -0.000 0.000 0.293 26 I C 1.064 177.199 176.117 0.030 0.000 1.078 26 I CA -0.125 61.223 61.300 0.080 0.000 1.292 26 I CB 0.631 38.701 38.000 0.118 0.000 1.423 26 I HN 0.731 nan 8.210 nan 0.000 0.493 27 S N 5.023 120.726 115.700 0.003 0.000 2.343 27 S HA 0.038 4.508 4.470 -0.000 0.000 0.212 27 S C 0.979 175.568 174.600 -0.019 0.000 1.033 27 S CA 0.685 58.879 58.200 -0.010 0.000 1.004 27 S CB -0.156 63.030 63.200 -0.023 0.000 0.977 27 S HN 0.940 nan 8.310 nan 0.000 0.427 28 A N 1.675 124.472 122.820 -0.038 0.000 1.524 28 A HA -0.034 4.286 4.320 -0.000 0.000 0.196 28 A C 0.359 177.913 177.584 -0.050 0.000 1.263 28 A CA 0.284 52.290 52.037 -0.051 0.000 0.624 28 A CB -1.602 17.380 19.000 -0.029 0.000 1.151 28 A HN 0.923 nan 8.150 nan 0.000 0.179 29 S N 1.692 117.349 115.700 -0.071 0.000 2.554 29 S HA 0.601 5.071 4.470 -0.000 0.000 0.278 29 S C 0.788 175.356 174.600 -0.054 0.000 1.242 29 S CA 0.000 58.166 58.200 -0.057 0.000 1.051 29 S CB 1.506 64.668 63.200 -0.064 0.000 0.986 29 S HN 0.679 nan 8.310 nan 0.000 0.502 30 E N 1.623 121.804 120.200 -0.032 0.000 2.204 30 E HA -0.129 4.220 4.350 -0.000 0.000 0.194 30 E C 1.954 178.543 176.600 -0.018 0.000 0.989 30 E CA 0.968 57.355 56.400 -0.022 0.000 0.824 30 E CB -0.226 29.467 29.700 -0.010 0.000 0.756 30 E HN 0.729 nan 8.360 nan 0.000 0.477 31 S N 1.298 116.987 115.700 -0.018 0.000 2.380 31 S HA -0.221 4.249 4.470 -0.000 0.000 0.229 31 S C 1.980 176.582 174.600 0.004 0.000 1.050 31 S CA 1.362 59.562 58.200 -0.001 0.000 1.100 31 S CB -0.253 62.945 63.200 -0.003 0.000 0.984 31 S HN 0.240 nan 8.310 nan 0.000 0.434 32 I N 0.707 121.243 120.570 -0.055 0.000 2.546 32 I HA -0.097 4.073 4.170 -0.000 0.000 0.255 32 I C 2.429 178.523 176.117 -0.039 0.000 1.163 32 I CA 1.229 62.472 61.300 -0.096 0.000 1.457 32 I CB -0.685 37.099 38.000 -0.360 0.000 1.092 32 I HN 0.350 nan 8.210 nan 0.000 0.434 33 T N 1.325 115.856 114.554 -0.039 0.000 2.777 33 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 33 T C 1.951 176.657 174.700 0.010 0.000 1.040 33 T CA 1.349 63.438 62.100 -0.018 0.000 1.141 33 T CB -0.193 68.663 68.868 -0.020 0.000 0.868 33 T HN 0.493 nan 8.240 nan 0.000 0.444 34 R N 0.898 121.409 120.500 0.017 0.000 2.093 34 R HA 0.041 4.381 4.340 -0.000 0.000 0.224 34 R C 2.293 178.620 176.300 0.046 0.000 1.101 34 R CA 1.325 57.442 56.100 0.029 0.000 0.979 34 R CB -1.196 29.119 30.300 0.025 0.000 0.877 34 R HN 0.126 nan 8.270 nan 0.000 0.441 35 T N 1.605 116.198 114.554 0.065 0.000 2.652 35 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 35 T C 1.981 176.727 174.700 0.077 0.000 1.039 35 T CA 1.744 63.898 62.100 0.091 0.000 1.153 35 T CB -0.204 68.769 68.868 0.174 0.000 0.863 35 T HN 0.046 nan 8.240 nan 0.000 0.428 36 V N 2.165 122.136 119.914 0.095 0.000 2.759 36 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 36 V C 2.267 178.390 176.094 0.047 0.000 1.080 36 V CA 1.375 63.715 62.300 0.066 0.000 1.101 36 V CB -0.784 31.076 31.823 0.062 0.000 0.698 36 V HN 0.577 nan 8.190 nan 0.000 0.477 37 N N -0.036 118.693 118.700 0.049 0.000 2.135 37 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 37 N C 1.506 177.052 175.510 0.061 0.000 1.027 37 N CA 1.290 54.372 53.050 0.053 0.000 0.849 37 N CB 0.076 38.586 38.487 0.039 0.000 1.002 37 N HN 0.436 nan 8.380 nan 0.000 0.425 38 D N 1.386 121.822 120.400 0.060 0.000 2.087 38 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 38 D C 2.084 178.449 176.300 0.108 0.000 0.993 38 D CA 0.951 54.997 54.000 0.077 0.000 0.828 38 D CB -0.535 40.315 40.800 0.085 0.000 0.968 38 D HN 0.367 nan 8.370 nan 0.000 0.448 39 I N 0.896 121.512 120.570 0.077 0.000 2.113 39 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 39 I C 2.587 178.781 176.117 0.127 0.000 1.057 39 I CA 1.042 62.365 61.300 0.038 0.000 1.314 39 I CB -0.372 37.519 38.000 -0.182 0.000 1.022 39 I HN 0.018 nan 8.210 nan 0.000 0.408 40 L N 0.089 121.394 121.223 0.136 0.000 1.970 40 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 40 L C 2.376 179.370 176.870 0.206 0.000 1.071 40 L CA 1.564 56.575 54.840 0.285 0.000 0.751 40 L CB -0.941 41.309 42.059 0.318 0.000 0.889 40 L HN 0.314 nan 8.230 nan 0.000 0.432 41 D N -0.138 120.312 120.400 0.082 0.000 2.133 41 D HA -0.252 4.388 4.640 -0.000 0.000 0.195 41 D C 1.850 178.149 176.300 -0.002 0.000 0.997 41 D CA 1.671 55.657 54.000 -0.022 0.000 0.840 41 D CB -0.413 40.385 40.800 -0.005 0.000 0.947 41 D HN 0.447 nan 8.370 nan 0.000 0.452 42 N N 0.279 119.028 118.700 0.082 0.000 2.120 42 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 42 N C 1.870 177.445 175.510 0.109 0.000 1.024 42 N CA 0.648 53.756 53.050 0.097 0.000 0.852 42 N CB 0.255 38.852 38.487 0.183 0.000 1.003 42 N HN -0.073 nan 8.380 nan 0.000 0.424 43 V N 1.308 121.334 119.914 0.186 0.000 2.453 43 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 43 V C 2.367 178.542 176.094 0.134 0.000 1.048 43 V CA 1.391 63.813 62.300 0.203 0.000 1.049 43 V CB -0.485 31.507 31.823 0.282 0.000 0.672 43 V HN 0.341 nan 8.190 nan 0.000 0.457 44 K N 0.336 120.747 120.400 0.020 0.000 2.057 44 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 44 K C 2.135 178.662 176.600 -0.122 0.000 1.050 44 K CA 1.529 57.693 56.287 -0.205 0.000 0.935 44 K CB -0.204 31.826 32.500 -0.784 0.000 0.715 44 K HN 0.425 nan 8.250 nan 0.000 0.439 45 A N 1.275 124.040 122.820 -0.092 0.000 1.874 45 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 45 A C 1.564 179.130 177.584 -0.030 0.000 1.189 45 A CA 0.867 52.867 52.037 -0.063 0.000 0.615 45 A CB -0.112 18.855 19.000 -0.056 0.000 0.830 45 A HN 0.284 nan 8.150 nan 0.000 0.443 46 R N -0.234 120.257 120.500 -0.014 0.000 2.552 46 R HA 0.288 4.628 4.340 -0.000 0.000 0.314 46 R C 1.319 177.619 176.300 0.001 0.000 1.041 46 R CA 0.224 56.316 56.100 -0.012 0.000 1.076 46 R CB -0.100 30.185 30.300 -0.026 0.000 1.290 46 R HN 0.524 nan 8.270 nan 0.000 0.563 47 G N 2.491 111.302 108.800 0.018 0.000 2.638 47 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.458 47 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.458 47 G C 0.617 175.533 174.900 0.027 0.000 1.250 47 G CA 1.135 46.253 45.100 0.030 0.000 0.928 47 G HN 0.290 nan 8.290 nan 0.000 0.584 48 D N 0.222 120.629 120.400 0.013 0.000 2.149 48 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 48 D C 2.165 178.468 176.300 0.005 0.000 1.001 48 D CA 1.603 55.609 54.000 0.011 0.000 0.849 48 D CB -0.473 40.331 40.800 0.006 0.000 0.939 48 D HN 0.718 nan 8.370 nan 0.000 0.449 49 E N 0.430 120.624 120.200 -0.009 0.000 2.097 49 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 49 E C 1.945 178.505 176.600 -0.066 0.000 1.000 49 E CA 1.360 57.741 56.400 -0.031 0.000 0.804 49 E CB -0.019 29.661 29.700 -0.033 0.000 0.740 49 E HN 0.227 nan 8.360 nan 0.000 0.454 50 A N 0.874 123.656 122.820 -0.063 0.000 1.898 50 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 50 A C 2.215 179.719 177.584 -0.134 0.000 1.181 50 A CA 1.069 53.018 52.037 -0.147 0.000 0.620 50 A CB -0.579 18.408 19.000 -0.023 0.000 0.819 50 A HN 0.304 nan 8.150 nan 0.000 0.442 51 L N -0.868 120.386 121.223 0.051 0.000 2.017 51 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 51 L C 2.854 179.779 176.870 0.091 0.000 1.073 51 L CA 1.455 56.385 54.840 0.149 0.000 0.745 51 L CB -0.592 41.535 42.059 0.113 0.000 0.894 51 L HN 0.361 nan 8.230 nan 0.000 0.432 52 R N 0.202 120.718 120.500 0.027 0.000 2.127 52 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 52 R C 2.064 178.359 176.300 -0.009 0.000 1.134 52 R CA 1.299 57.410 56.100 0.018 0.000 0.975 52 R CB -0.345 29.957 30.300 0.004 0.000 0.865 52 R HN 0.555 nan 8.270 nan 0.000 0.447 53 E N -0.044 120.102 120.200 -0.090 0.000 2.047 53 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 53 E C 1.739 178.289 176.600 -0.084 0.000 0.987 53 E CA 1.249 57.559 56.400 -0.150 0.000 0.799 53 E CB -0.209 29.304 29.700 -0.312 0.000 0.752 53 E HN 0.466 nan 8.360 nan 0.000 0.449 54 Y N 0.303 120.624 120.300 0.035 0.000 2.483 54 Y HA -0.097 4.453 4.550 -0.000 0.000 0.291 54 Y C 2.315 178.254 175.900 0.065 0.000 1.143 54 Y CA 0.261 58.390 58.100 0.049 0.000 1.289 54 Y CB 0.201 38.690 38.460 0.049 0.000 0.983 54 Y HN -0.040 nan 8.280 nan 0.000 0.556 55 S N -0.528 115.277 115.700 0.175 0.000 2.851 55 S HA 0.265 4.735 4.470 -0.000 0.000 0.227 55 S C 1.194 175.833 174.600 0.064 0.000 0.958 55 S CA 0.470 58.737 58.200 0.113 0.000 0.990 55 S CB -0.301 62.949 63.200 0.084 0.000 0.790 55 S HN 0.441 nan 8.310 nan 0.000 0.509 56 A N 0.607 123.473 122.820 0.076 0.000 1.853 56 A HA 0.342 4.662 4.320 -0.000 0.000 0.204 56 A C 1.682 179.305 177.584 0.066 0.000 1.724 56 A CA 0.255 52.319 52.037 0.044 0.000 1.105 56 A CB -0.352 18.664 19.000 0.027 0.000 1.101 56 A HN 0.420 nan 8.150 nan 0.000 0.495 57 K N -0.946 119.523 120.400 0.114 0.000 1.977 57 K HA -0.136 4.184 4.320 -0.000 0.000 0.218 57 K C 0.033 176.742 176.600 0.181 0.000 1.051 57 K CA 1.558 57.931 56.287 0.143 0.000 0.953 57 K CB -0.265 32.355 32.500 0.200 0.000 0.727 57 K HN 0.257 nan 8.250 nan 0.000 0.445 58 F N 2.674 122.644 119.950 0.033 0.000 2.410 58 F HA 0.209 4.736 4.527 -0.000 0.000 0.349 58 F C -0.795 175.019 175.800 0.022 0.000 1.117 58 F CA -1.054 56.949 58.000 0.005 0.000 1.104 58 F CB 0.371 39.349 39.000 -0.036 0.000 1.122 58 F HN 0.412 nan 8.300 nan 0.000 0.483 59 D N 4.280 124.317 120.400 -0.605 0.000 10.092 59 D HA -0.258 4.382 4.640 -0.000 0.000 0.312 59 D C -0.840 175.329 176.300 -0.219 0.000 2.843 59 D CA 0.183 53.864 54.000 -0.533 0.000 2.551 59 D CB 0.275 40.609 40.800 -0.777 0.000 1.086 59 D HN 0.694 nan 8.370 nan 0.000 0.830 60 K N 3.388 123.703 120.400 -0.141 0.000 2.095 60 K HA 0.185 4.505 4.320 -0.000 0.000 0.258 60 K C 0.762 177.324 176.600 -0.064 0.000 1.120 60 K CA 0.917 57.161 56.287 -0.071 0.000 1.026 60 K CB -0.061 32.411 32.500 -0.048 0.000 1.256 60 K HN 0.429 nan 8.250 nan 0.000 0.360 61 T N 0.956 115.480 114.554 -0.050 0.000 3.019 61 T HA -0.030 4.320 4.350 -0.000 0.000 0.247 61 T C -0.074 174.624 174.700 -0.003 0.000 0.992 61 T CA 0.849 62.932 62.100 -0.028 0.000 1.036 61 T CB -0.418 68.435 68.868 -0.025 0.000 1.063 61 T HN 0.779 nan 8.240 nan 0.000 0.476 62 T N 1.185 115.741 114.554 0.004 0.000 3.558 62 T HA -0.180 4.170 4.350 -0.000 0.000 0.391 62 T C 0.237 174.949 174.700 0.019 0.000 0.766 62 T CA 0.353 62.460 62.100 0.012 0.000 1.951 62 T CB -3.171 65.700 68.868 0.005 0.000 1.743 62 T HN 0.697 nan 8.240 nan 0.000 0.688 63 V N 1.314 121.247 119.914 0.031 0.000 2.832 63 V HA 0.054 4.174 4.120 -0.000 0.000 0.299 63 V C 1.533 177.649 176.094 0.037 0.000 1.201 63 V CA 1.790 64.115 62.300 0.041 0.000 1.325 63 V CB 0.590 32.451 31.823 0.062 0.000 0.871 63 V HN 0.951 nan 8.190 nan 0.000 0.509 64 T N 5.580 120.156 114.554 0.037 0.000 3.538 64 T HA 0.412 4.762 4.350 -0.000 0.000 0.204 64 T C 0.478 175.205 174.700 0.045 0.000 0.870 64 T CA 0.467 62.587 62.100 0.034 0.000 1.727 64 T CB -0.072 68.812 68.868 0.027 0.000 1.685 64 T HN 1.086 nan 8.240 nan 0.000 0.454 65 A N 1.101 123.951 122.820 0.051 0.000 2.309 65 A HA 0.549 4.869 4.320 -0.000 0.000 0.290 65 A C 1.189 178.833 177.584 0.099 0.000 1.206 65 A CA -0.299 51.778 52.037 0.068 0.000 0.850 65 A CB -0.267 18.768 19.000 0.058 0.000 1.118 65 A HN 0.597 nan 8.150 nan 0.000 0.523 66 L N 1.643 122.945 121.223 0.131 0.000 2.083 66 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 66 L C 1.620 178.680 176.870 0.315 0.000 1.083 66 L CA 1.311 56.271 54.840 0.199 0.000 0.752 66 L CB -0.134 42.026 42.059 0.168 0.000 0.899 66 L HN 0.738 nan 8.230 nan 0.000 0.433 67 K N 0.524 121.100 120.400 0.293 0.000 2.234 67 K HA 0.267 4.587 4.320 -0.000 0.000 0.282 67 K C -0.637 175.981 176.600 0.029 0.000 1.039 67 K CA -0.461 55.920 56.287 0.157 0.000 0.928 67 K CB 1.207 33.793 32.500 0.143 0.000 1.039 67 K HN -0.239 nan 8.250 nan 0.000 0.470 68 V N 4.170 124.053 119.914 -0.052 0.000 2.637 68 V HA 0.010 4.130 4.120 -0.000 0.000 0.296 68 V C 0.506 176.570 176.094 -0.049 0.000 1.046 68 V CA -0.309 61.967 62.300 -0.040 0.000 1.066 68 V CB 0.993 32.781 31.823 -0.058 0.000 0.968 68 V HN 1.010 nan 8.190 nan 0.000 0.483 69 S N 4.218 119.904 115.700 -0.024 0.000 2.624 69 S HA 0.477 4.947 4.470 -0.000 0.000 0.263 69 S C 1.252 175.834 174.600 -0.030 0.000 1.287 69 S CA -0.032 58.154 58.200 -0.022 0.000 0.990 69 S CB 1.431 64.627 63.200 -0.008 0.000 0.950 69 S HN 1.011 nan 8.310 nan 0.000 0.561 70 A N 0.563 123.367 122.820 -0.028 0.000 1.969 70 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 70 A C 1.920 179.493 177.584 -0.019 0.000 1.169 70 A CA 1.340 53.360 52.037 -0.028 0.000 0.635 70 A CB -0.979 18.006 19.000 -0.025 0.000 0.810 70 A HN 0.863 nan 8.150 nan 0.000 0.445 71 E N 0.509 120.701 120.200 -0.013 0.000 2.047 71 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 71 E C 1.847 178.443 176.600 -0.007 0.000 0.987 71 E CA 1.471 57.866 56.400 -0.008 0.000 0.799 71 E CB -0.327 29.370 29.700 -0.005 0.000 0.752 71 E HN 0.744 nan 8.360 nan 0.000 0.449 72 E N 0.346 120.541 120.200 -0.009 0.000 2.118 72 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 72 E C 2.102 178.698 176.600 -0.006 0.000 0.992 72 E CA 0.941 57.337 56.400 -0.007 0.000 0.804 72 E CB -0.199 29.496 29.700 -0.008 0.000 0.741 72 E HN 0.283 nan 8.360 nan 0.000 0.458 73 I N 1.035 121.598 120.570 -0.012 0.000 2.252 73 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 73 I C 2.564 178.689 176.117 0.013 0.000 1.102 73 I CA 0.892 62.188 61.300 -0.007 0.000 1.385 73 I CB -0.317 37.667 38.000 -0.027 0.000 1.064 73 I HN 0.080 nan 8.210 nan 0.000 0.414 74 A N 0.734 123.557 122.820 0.006 0.000 1.933 74 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 74 A C 2.523 180.114 177.584 0.012 0.000 1.175 74 A CA 1.738 53.783 52.037 0.014 0.000 0.628 74 A CB -0.688 18.314 19.000 0.004 0.000 0.814 74 A HN 0.433 nan 8.150 nan 0.000 0.444 75 A N -0.173 122.649 122.820 0.003 0.000 1.898 75 A HA 0.216 4.536 4.320 -0.000 0.000 0.216 75 A C 2.482 180.063 177.584 -0.006 0.000 1.181 75 A CA 1.899 53.934 52.037 -0.003 0.000 0.620 75 A CB -0.917 18.080 19.000 -0.005 0.000 0.819 75 A HN 0.967 nan 8.150 nan 0.000 0.442 76 A N -0.446 122.374 122.820 0.001 0.000 1.873 76 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 76 A C 2.403 179.983 177.584 -0.007 0.000 1.186 76 A CA 1.967 54.002 52.037 -0.003 0.000 0.616 76 A CB -0.933 18.072 19.000 0.008 0.000 0.823 76 A HN 0.443 nan 8.150 nan 0.000 0.442 77 S N -0.361 115.365 115.700 0.044 0.000 2.419 77 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 77 S C 1.892 176.463 174.600 -0.049 0.000 1.019 77 S CA 1.286 59.527 58.200 0.068 0.000 0.982 77 S CB -0.225 63.115 63.200 0.233 0.000 0.789 77 S HN 0.641 nan 8.310 nan 0.000 0.490 78 E N 1.438 121.620 120.200 -0.030 0.000 2.216 78 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 78 E C 1.696 178.255 176.600 -0.068 0.000 0.988 78 E CA 0.487 56.860 56.400 -0.045 0.000 0.834 78 E CB 0.004 29.690 29.700 -0.024 0.000 0.772 78 E HN 0.428 nan 8.360 nan 0.000 0.479 79 R N -0.119 120.339 120.500 -0.070 0.000 2.313 79 R HA 0.181 4.521 4.340 -0.000 0.000 0.199 79 R C 0.555 176.790 176.300 -0.109 0.000 0.958 79 R CA -0.011 56.045 56.100 -0.074 0.000 1.047 79 R CB 0.239 30.505 30.300 -0.056 0.000 0.955 79 R HN 0.086 nan 8.270 nan 0.000 0.481 80 L N 1.546 122.670 121.223 -0.165 0.000 2.334 80 L HA 0.171 4.511 4.340 -0.000 0.000 0.277 80 L C 0.763 177.511 176.870 -0.204 0.000 1.075 80 L CA -0.507 54.198 54.840 -0.226 0.000 0.804 80 L CB 1.514 43.339 42.059 -0.390 0.000 1.174 80 L HN 0.101 nan 8.230 nan 0.000 0.438 81 S N 0.147 115.745 115.700 -0.170 0.000 2.589 81 S HA 0.048 4.518 4.470 -0.000 0.000 0.265 81 S C 0.471 174.982 174.600 -0.148 0.000 1.342 81 S CA -0.682 57.440 58.200 -0.130 0.000 1.005 81 S CB 1.136 64.279 63.200 -0.096 0.000 0.909 81 S HN 0.573 nan 8.310 nan 0.000 0.555 82 D N 0.598 120.935 120.400 -0.105 0.000 2.144 82 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 82 D C 1.783 178.037 176.300 -0.077 0.000 0.978 82 D CA 1.363 55.309 54.000 -0.090 0.000 0.833 82 D CB -0.393 40.373 40.800 -0.058 0.000 0.961 82 D HN 0.866 nan 8.370 nan 0.000 0.470 83 E N 0.064 120.225 120.200 -0.066 0.000 2.049 83 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 83 E C 2.039 178.606 176.600 -0.054 0.000 1.007 83 E CA 0.745 57.116 56.400 -0.049 0.000 0.809 83 E CB -0.084 29.590 29.700 -0.043 0.000 0.749 83 E HN 0.094 nan 8.360 nan 0.000 0.450 84 L N 1.470 122.642 121.223 -0.085 0.000 1.976 84 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 84 L C 2.159 178.970 176.870 -0.099 0.000 1.071 84 L CA 2.002 56.786 54.840 -0.094 0.000 0.746 84 L CB -0.490 41.472 42.059 -0.161 0.000 0.890 84 L HN -0.000 nan 8.230 nan 0.000 0.432 85 K N -0.799 119.488 120.400 -0.189 0.000 2.089 85 K HA -0.282 4.038 4.320 -0.000 0.000 0.210 85 K C 2.092 178.696 176.600 0.007 0.000 1.048 85 K CA 2.311 58.498 56.287 -0.167 0.000 0.926 85 K CB -0.286 32.060 32.500 -0.257 0.000 0.714 85 K HN 0.535 nan 8.250 nan 0.000 0.448 86 Q N 0.179 119.972 119.800 -0.010 0.000 2.172 86 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 86 Q C 0.910 176.931 176.000 0.035 0.000 0.964 86 Q CA 0.606 56.420 55.803 0.019 0.000 0.855 86 Q CB -0.041 28.698 28.738 0.002 0.000 0.918 86 Q HN 0.295 nan 8.270 nan 0.000 0.444 90 V N 1.142 121.093 119.914 0.063 0.000 2.307 90 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 90 V C 3.007 179.141 176.094 0.067 0.000 1.045 90 V CA 2.556 64.890 62.300 0.057 0.000 1.024 90 V CB -1.112 30.743 31.823 0.053 0.000 0.651 90 V HN 0.695 nan 8.190 nan 0.000 0.449 91 A N 0.007 122.881 122.820 0.089 0.000 1.858 91 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 91 A C 2.405 180.032 177.584 0.070 0.000 1.190 91 A CA 2.216 54.313 52.037 0.101 0.000 0.617 91 A CB -0.838 18.250 19.000 0.147 0.000 0.827 91 A HN 0.312 nan 8.150 nan 0.000 0.443 92 V N 0.425 120.374 119.914 0.058 0.000 2.287 92 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 92 V C 2.569 178.675 176.094 0.019 0.000 1.053 92 V CA 2.498 64.810 62.300 0.020 0.000 1.027 92 V CB -0.726 31.101 31.823 0.007 0.000 0.646 92 V HN 0.706 nan 8.190 nan 0.000 0.447 93 K N 0.116 120.534 120.400 0.031 0.000 2.063 93 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 93 K C 2.021 178.650 176.600 0.048 0.000 1.048 93 K CA 1.949 58.255 56.287 0.031 0.000 0.928 93 K CB -0.172 32.347 32.500 0.031 0.000 0.713 93 K HN 0.456 nan 8.250 nan 0.000 0.442 94 N N 0.833 119.569 118.700 0.059 0.000 2.171 94 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 94 N C 1.899 177.484 175.510 0.125 0.000 1.021 94 N CA 1.161 54.258 53.050 0.077 0.000 0.854 94 N CB -0.169 38.356 38.487 0.062 0.000 0.994 94 N HN 0.250 nan 8.380 nan 0.000 0.426 95 I N 1.291 121.927 120.570 0.110 0.000 2.226 95 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 95 I C 2.404 178.629 176.117 0.180 0.000 1.100 95 I CA 1.056 62.453 61.300 0.162 0.000 1.374 95 I CB -0.179 37.825 38.000 0.008 0.000 1.057 95 I HN 0.191 nan 8.210 nan 0.000 0.413 96 E N 0.541 120.780 120.200 0.065 0.000 2.051 96 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 96 E C 2.077 178.732 176.600 0.092 0.000 0.991 96 E CA 1.947 58.368 56.400 0.036 0.000 0.799 96 E CB 0.074 29.773 29.700 -0.000 0.000 0.748 96 E HN 0.386 nan 8.360 nan 0.000 0.449 97 T N 0.427 115.047 114.554 0.111 0.000 2.788 97 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 97 T C 1.345 176.149 174.700 0.174 0.000 1.044 97 T CA 1.169 63.337 62.100 0.114 0.000 1.139 97 T CB -0.344 68.585 68.868 0.102 0.000 0.867 97 T HN 0.213 nan 8.240 nan 0.000 0.454 98 F N 1.529 121.518 119.950 0.065 0.000 2.128 98 F HA -0.035 4.492 4.527 0.000 0.000 0.295 98 F C 2.403 178.195 175.800 -0.014 0.000 1.100 98 F CA 1.123 59.138 58.000 0.025 0.000 1.260 98 F CB -0.527 38.489 39.000 0.027 0.000 1.009 98 F HN 0.297 nan 8.300 nan 0.000 0.476 99 H N -1.287 117.705 119.070 -0.130 0.000 2.357 99 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 99 H C 2.060 177.272 175.328 -0.193 0.000 1.082 99 H CA 1.700 57.599 56.048 -0.247 0.000 1.342 99 H CB -0.539 29.146 29.762 -0.128 0.000 1.389 99 H HN 0.211 nan 8.280 nan 0.000 0.511 100 T N 0.940 115.497 114.554 0.006 0.000 2.849 100 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 100 T C 2.158 176.821 174.700 -0.063 0.000 1.066 100 T CA 0.933 63.018 62.100 -0.026 0.000 1.130 100 T CB -0.274 68.591 68.868 -0.006 0.000 0.864 100 T HN 0.425 nan 8.240 nan 0.000 0.481 101 A N 0.925 123.687 122.820 -0.096 0.000 2.168 101 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 101 A C 2.049 179.535 177.584 -0.163 0.000 1.152 101 A CA 0.821 52.795 52.037 -0.105 0.000 0.716 101 A CB -0.365 18.588 19.000 -0.077 0.000 0.794 101 A HN 0.540 nan 8.150 nan 0.000 0.465 102 Q N 0.080 119.738 119.800 -0.236 0.000 2.444 102 Q HA 0.054 4.394 4.340 -0.000 0.000 0.206 102 Q C -0.216 175.713 176.000 -0.118 0.000 0.948 102 Q CA 0.052 55.718 55.803 -0.227 0.000 0.946 102 Q CB 0.070 28.610 28.738 -0.329 0.000 1.027 102 Q HN 0.496 nan 8.270 nan 0.000 0.513 103 K N 1.656 122.006 120.400 -0.083 0.000 2.466 103 K HA 0.002 4.322 4.320 -0.000 0.000 0.278 103 K C -0.367 176.210 176.600 -0.038 0.000 1.048 103 K CA 0.216 56.475 56.287 -0.047 0.000 1.088 103 K CB 0.363 32.842 32.500 -0.035 0.000 0.884 103 K HN 0.185 nan 8.250 nan 0.000 0.478 104 L N 6.612 127.819 121.223 -0.026 0.000 2.477 104 L HA 0.096 4.436 4.340 -0.000 0.000 0.272 104 L C -1.371 175.491 176.870 -0.014 0.000 1.157 104 L CA -1.709 53.120 54.840 -0.019 0.000 0.889 104 L CB -0.230 41.822 42.059 -0.011 0.000 1.158 104 L HN 0.435 nan 8.230 nan 0.000 0.473 105 P HA 0.164 nan 4.420 nan 0.000 0.271 105 P C -2.414 174.883 177.300 -0.006 0.000 1.218 105 P CA -1.126 61.968 63.100 -0.010 0.000 0.780 105 P CB -0.167 31.528 31.700 -0.010 0.000 0.901 106 P HA 0.002 nan 4.420 nan 0.000 0.264 106 P C -0.549 176.751 177.300 -0.000 0.000 1.183 106 P CA 0.244 63.344 63.100 -0.001 0.000 0.763 106 P CB 0.371 32.071 31.700 -0.000 0.000 0.807 107 V N 3.879 123.794 119.914 0.001 0.000 2.347 107 V HA 0.308 4.428 4.120 -0.000 0.000 0.280 107 V C 0.048 176.145 176.094 0.004 0.000 1.021 107 V CA 0.090 62.391 62.300 0.002 0.000 0.847 107 V CB 1.173 32.998 31.823 0.003 0.000 0.990 107 V HN 0.611 nan 8.190 nan 0.000 0.444 108 D N 3.925 124.328 120.400 0.004 0.000 2.375 108 D HA 0.501 5.141 4.640 -0.000 0.000 0.241 108 D C -1.475 174.828 176.300 0.005 0.000 1.361 108 D CA 0.001 54.004 54.000 0.005 0.000 0.995 108 D CB 2.025 42.827 40.800 0.004 0.000 1.312 108 D HN 0.383 nan 8.370 nan 0.000 0.576 109 V N 2.590 122.508 119.914 0.006 0.000 3.114 109 V HA 0.528 4.648 4.120 -0.000 0.000 0.308 109 V C -1.306 174.793 176.094 0.008 0.000 1.168 109 V CA -0.622 61.682 62.300 0.007 0.000 1.015 109 V CB 2.387 34.213 31.823 0.005 0.000 1.050 109 V HN 0.389 nan 8.190 nan 0.000 0.433 110 E N 2.184 122.389 120.200 0.008 0.000 2.073 110 E HA 0.255 4.605 4.350 -0.000 0.000 0.269 110 E C 0.708 177.312 176.600 0.008 0.000 0.917 110 E CA 0.286 56.692 56.400 0.010 0.000 0.757 110 E CB 1.640 31.346 29.700 0.010 0.000 1.111 110 E HN 0.929 nan 8.360 nan 0.000 0.410 111 T N 0.651 115.210 114.554 0.008 0.000 2.833 111 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 111 T C 0.737 175.439 174.700 0.004 0.000 1.054 111 T CA 0.992 63.095 62.100 0.006 0.000 1.135 111 T CB 0.202 69.073 68.868 0.006 0.000 0.869 111 T HN 0.341 nan 8.240 nan 0.000 0.466 112 Q N 0.401 120.204 119.800 0.005 0.000 2.462 112 Q HA 0.418 4.758 4.340 -0.000 0.000 0.285 112 Q C -3.153 172.851 176.000 0.007 0.000 1.035 112 Q CA -2.730 53.074 55.803 0.003 0.000 0.799 112 Q CB 2.485 31.222 28.738 -0.001 0.000 1.452 112 Q HN 0.026 nan 8.270 nan 0.000 0.404 113 P HA -0.012 nan 4.420 nan 0.000 0.264 113 P C 0.380 177.689 177.300 0.016 0.000 1.193 113 P CA 1.307 64.412 63.100 0.010 0.000 0.763 113 P CB 0.311 32.016 31.700 0.008 0.000 0.810 114 G N 1.700 110.512 108.800 0.020 0.000 2.179 114 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 114 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 114 G C -0.006 174.916 174.900 0.037 0.000 0.977 114 G CA -0.093 45.025 45.100 0.030 0.000 0.641 114 G HN 0.518 nan 8.290 nan 0.000 0.533 115 V N 1.344 121.276 119.914 0.029 0.000 2.289 115 V HA 0.455 4.575 4.120 -0.000 0.000 0.272 115 V C 0.566 176.674 176.094 0.024 0.000 1.026 115 V CA -0.647 61.672 62.300 0.032 0.000 0.807 115 V CB 1.206 33.044 31.823 0.026 0.000 1.044 115 V HN 0.416 nan 8.190 nan 0.000 0.443 116 R N 3.585 124.099 120.500 0.024 0.000 2.207 116 R HA 0.554 4.894 4.340 -0.000 0.000 0.334 116 R C -1.080 175.230 176.300 0.018 0.000 1.013 116 R CA -0.201 55.910 56.100 0.018 0.000 0.858 116 R CB 0.706 31.016 30.300 0.016 0.000 1.094 116 R HN 0.657 nan 8.270 nan 0.000 0.457 117 C N 4.235 123.544 119.300 0.015 0.000 2.379 117 C HA 0.474 4.934 4.460 -0.000 0.000 0.323 117 C C -0.471 174.525 174.990 0.011 0.000 1.262 117 C CA -0.666 58.360 59.018 0.014 0.000 1.581 117 C CB 1.407 29.155 27.740 0.014 0.000 2.221 117 C HN 0.801 nan 8.230 nan 0.000 0.497 118 Q N 1.157 120.964 119.800 0.010 0.000 2.433 118 Q HA 0.592 4.932 4.340 -0.000 0.000 0.279 118 Q C -1.112 174.892 176.000 0.008 0.000 1.105 118 Q CA -0.560 55.248 55.803 0.008 0.000 0.815 118 Q CB 2.370 31.113 28.738 0.008 0.000 1.403 118 Q HN 0.737 nan 8.270 nan 0.000 0.435 119 Q N 1.619 121.424 119.800 0.007 0.000 2.309 119 Q HA 0.542 4.882 4.340 -0.000 0.000 0.270 119 Q C -1.346 174.658 176.000 0.007 0.000 1.023 119 Q CA -0.549 55.258 55.803 0.007 0.000 0.758 119 Q CB 1.744 30.485 28.738 0.006 0.000 1.247 119 Q HN 0.599 nan 8.270 nan 0.000 0.455 120 V N 0.333 120.252 119.914 0.008 0.000 3.113 120 V HA 0.817 4.937 4.120 -0.000 0.000 0.316 120 V C -0.238 175.863 176.094 0.011 0.000 1.125 120 V CA -0.656 61.649 62.300 0.008 0.000 1.026 120 V CB 1.641 33.469 31.823 0.008 0.000 1.080 120 V HN 0.815 nan 8.190 nan 0.000 0.444 121 T N 0.384 114.945 114.554 0.012 0.000 2.856 121 T HA 0.787 5.137 4.350 -0.000 0.000 0.283 121 T C -0.523 174.190 174.700 0.020 0.000 1.008 121 T CA -0.820 61.290 62.100 0.017 0.000 0.997 121 T CB 1.777 70.655 68.868 0.018 0.000 0.992 121 T HN 0.812 nan 8.240 nan 0.000 0.454 122 R N 2.645 123.161 120.500 0.027 0.000 2.621 122 R HA 0.570 4.910 4.340 -0.000 0.000 0.292 122 R C -2.892 173.434 176.300 0.044 0.000 0.969 122 R CA -2.455 53.663 56.100 0.030 0.000 0.887 122 R CB 2.141 32.457 30.300 0.026 0.000 1.180 122 R HN 0.562 nan 8.270 nan 0.000 0.450 123 P HA 0.125 nan 4.420 nan 0.000 0.276 123 P C -0.085 177.264 177.300 0.081 0.000 1.244 123 P CA -0.430 62.714 63.100 0.072 0.000 0.801 123 P CB 0.892 32.628 31.700 0.059 0.000 1.006 124 V N 2.579 122.564 119.914 0.117 0.000 2.529 124 V HA 0.013 4.133 4.120 -0.000 0.000 0.292 124 V C 2.028 178.186 176.094 0.105 0.000 1.028 124 V CA 0.878 63.247 62.300 0.114 0.000 1.074 124 V CB -0.014 31.907 31.823 0.163 0.000 0.958 124 V HN 0.770 nan 8.190 nan 0.000 0.481 125 A N 4.988 127.856 122.820 0.079 0.000 1.869 125 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 125 A C 1.166 178.799 177.584 0.082 0.000 1.203 125 A CA 2.029 54.108 52.037 0.069 0.000 0.638 125 A CB -0.289 18.744 19.000 0.054 0.000 0.831 125 A HN 1.153 nan 8.150 nan 0.000 0.450 126 S N -2.011 113.747 115.700 0.097 0.000 2.541 126 S HA 0.601 5.071 4.470 -0.000 0.000 0.280 126 S C -0.818 173.875 174.600 0.155 0.000 1.112 126 S CA -0.143 58.123 58.200 0.111 0.000 0.925 126 S CB 1.590 64.846 63.200 0.093 0.000 1.067 126 S HN 1.506 nan 8.310 nan 0.000 0.479 127 V N -0.626 119.399 119.914 0.186 0.000 2.789 127 V HA 1.004 5.124 4.120 -0.000 0.000 0.311 127 V C 0.121 176.361 176.094 0.245 0.000 1.073 127 V CA -0.435 62.031 62.300 0.277 0.000 0.921 127 V CB 1.273 33.311 31.823 0.359 0.000 1.009 127 V HN 1.296 nan 8.190 nan 0.000 0.426 128 G N 4.040 113.010 108.800 0.282 0.000 2.416 128 G HA2 0.677 4.637 3.960 -0.000 0.000 0.324 128 G HA3 0.677 4.637 3.960 -0.000 0.000 0.324 128 G C -0.945 174.137 174.900 0.304 0.000 1.194 128 G CA -0.887 44.361 45.100 0.246 0.000 0.922 128 G HN 0.879 nan 8.290 nan 0.000 0.467 129 L N 2.025 123.397 121.223 0.249 0.000 2.296 129 L HA 0.390 4.730 4.340 -0.000 0.000 0.286 129 L C -0.905 176.104 176.870 0.231 0.000 1.023 129 L CA -1.097 53.890 54.840 0.245 0.000 0.812 129 L CB 1.698 43.847 42.059 0.149 0.000 1.223 129 L HN 0.534 nan 8.230 nan 0.000 0.421 130 Y N 4.779 125.170 120.300 0.151 0.000 2.330 130 Y HA 0.575 5.125 4.550 -0.000 0.000 0.336 130 Y C -0.534 175.438 175.900 0.120 0.000 1.036 130 Y CA -0.723 57.450 58.100 0.122 0.000 1.125 130 Y CB 1.113 39.630 38.460 0.095 0.000 1.194 130 Y HN 0.320 nan 8.280 nan 0.000 0.469 131 I N 8.573 128.716 120.570 -0.710 0.000 2.468 131 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 131 I C -2.599 173.209 176.117 -0.515 0.000 1.039 131 I CA -2.549 58.525 61.300 -0.377 0.000 1.074 131 I CB 1.632 39.547 38.000 -0.141 0.000 1.228 131 I HN 0.517 nan 8.210 nan 0.000 0.436 132 P HA 0.107 nan 4.420 nan 0.000 0.267 132 P C 0.521 177.831 177.300 0.016 0.000 1.200 132 P CA 0.281 63.384 63.100 0.006 0.000 0.772 132 P CB 0.930 32.715 31.700 0.141 0.000 0.855 133 G N 0.993 109.839 108.800 0.076 0.000 2.714 133 G HA2 0.631 4.590 3.960 -0.000 0.000 0.197 133 G HA3 0.631 4.590 3.960 -0.000 0.000 0.197 133 G C 0.100 175.059 174.900 0.098 0.000 1.449 133 G CA -0.233 44.914 45.100 0.078 0.000 1.065 133 G HN 0.830 nan 8.290 nan 0.000 0.575 134 G N -2.210 106.643 108.800 0.089 0.000 2.434 134 G HA2 0.252 4.212 3.960 -0.000 0.000 0.671 134 G HA3 0.252 4.212 3.960 -0.000 0.000 0.671 134 G C 0.996 175.936 174.900 0.068 0.000 1.280 134 G CA 0.709 45.860 45.100 0.085 0.000 0.975 134 G HN 1.601 nan 8.290 nan 0.000 0.510 135 S N -0.665 115.073 115.700 0.063 0.000 2.357 135 S HA 0.417 4.887 4.470 -0.000 0.000 0.221 135 S C 1.477 176.119 174.600 0.069 0.000 1.031 135 S CA 1.974 60.207 58.200 0.054 0.000 0.982 135 S CB 0.088 63.316 63.200 0.046 0.000 0.853 135 S HN 2.318 nan 8.310 nan 0.000 0.458 136 A N 3.599 126.468 122.820 0.081 0.000 2.786 136 A HA 0.623 4.943 4.320 -0.000 0.000 0.346 136 A C -2.367 175.288 177.584 0.119 0.000 1.265 136 A CA -1.566 50.533 52.037 0.103 0.000 0.858 136 A CB 0.174 19.225 19.000 0.086 0.000 1.118 136 A HN 0.457 nan 8.150 nan 0.000 0.482 137 P HA 0.304 nan 4.420 nan 0.000 0.277 137 P C -0.640 176.753 177.300 0.154 0.000 1.240 137 P CA -0.430 62.756 63.100 0.144 0.000 0.798 137 P CB 1.132 32.920 31.700 0.147 0.000 0.979 138 L N 3.347 124.622 121.223 0.086 0.000 2.391 138 L HA 0.121 4.461 4.340 -0.000 0.000 0.249 138 L C 1.443 178.309 176.870 -0.007 0.000 1.308 138 L CA 0.057 54.893 54.840 -0.006 0.000 1.209 138 L CB -1.726 40.341 42.059 0.013 0.000 1.401 138 L HN 0.321 nan 8.230 nan 0.000 0.416 139 F N -1.020 119.013 119.950 0.137 0.000 2.373 139 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 139 F C 2.179 178.070 175.800 0.151 0.000 1.080 139 F CA 0.816 58.888 58.000 0.120 0.000 1.417 139 F CB -1.218 37.845 39.000 0.105 0.000 1.070 139 F HN 0.415 nan 8.300 nan 0.000 0.546 140 S N -0.353 115.167 115.700 -0.301 0.000 2.400 140 S HA -0.219 4.251 4.470 -0.000 0.000 0.232 140 S C 1.755 176.424 174.600 0.116 0.000 1.025 140 S CA 1.541 59.743 58.200 0.003 0.000 0.993 140 S CB -1.588 61.658 63.200 0.077 0.000 0.808 140 S HN 0.515 nan 8.310 nan 0.000 0.478 141 T N 2.136 116.803 114.554 0.189 0.000 2.929 141 T HA -0.003 4.347 4.350 -0.000 0.000 0.271 141 T C 1.792 176.540 174.700 0.080 0.000 1.085 141 T CA 1.139 63.359 62.100 0.199 0.000 1.125 141 T CB -0.549 68.475 68.868 0.261 0.000 0.874 141 T HN 0.321 nan 8.240 nan 0.000 0.494 142 V N 1.349 121.324 119.914 0.102 0.000 2.295 142 V HA -0.051 4.069 4.120 -0.000 0.000 0.246 142 V C 1.630 177.727 176.094 0.006 0.000 1.049 142 V CA 1.148 63.488 62.300 0.067 0.000 1.024 142 V CB -0.682 31.204 31.823 0.105 0.000 0.648 142 V HN 0.432 nan 8.190 nan 0.000 0.447 146 A N 0.083 122.782 122.820 -0.201 0.000 2.015 146 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 146 A C 2.043 179.435 177.584 -0.320 0.000 1.163 146 A CA 2.348 54.244 52.037 -0.235 0.000 0.646 146 A CB -0.596 18.322 19.000 -0.137 0.000 0.806 146 A HN 0.411 nan 8.150 nan 0.000 0.448 147 T N 0.462 114.818 114.554 -0.330 0.000 2.812 147 T HA -0.038 4.312 4.350 -0.000 0.000 0.264 147 T C -0.285 174.141 174.700 -0.457 0.000 1.042 147 T CA 1.660 63.558 62.100 -0.336 0.000 1.140 147 T CB -0.939 67.751 68.868 -0.297 0.000 0.870 147 T HN 0.373 nan 8.240 nan 0.000 0.445 148 P HA 0.109 nan 4.420 nan 0.000 0.217 148 P C 1.464 178.193 177.300 -0.951 0.000 1.151 148 P CA 0.892 63.553 63.100 -0.732 0.000 0.828 148 P CB -0.162 31.087 31.700 -0.752 0.000 0.788 149 A N -0.535 121.515 122.820 -1.284 0.000 1.940 149 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 149 A C 2.497 179.853 177.584 -0.380 0.000 1.176 149 A CA 2.276 53.798 52.037 -0.858 0.000 0.631 149 A CB -1.626 17.034 19.000 -0.565 0.000 0.814 149 A HN 0.207 nan 8.150 nan 0.000 0.446 150 S N -0.406 115.096 115.700 -0.331 0.000 2.355 150 S HA -0.094 4.376 4.470 -0.000 0.000 0.222 150 S C 1.912 176.415 174.600 -0.162 0.000 1.031 150 S CA 1.323 59.405 58.200 -0.198 0.000 0.993 150 S CB -0.499 62.595 63.200 -0.176 0.000 0.859 150 S HN 0.491 nan 8.310 nan 0.000 0.453 151 I N 1.721 122.178 120.570 -0.188 0.000 2.264 151 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 151 I C 2.689 178.752 176.117 -0.091 0.000 1.111 151 I CA 1.179 62.405 61.300 -0.124 0.000 1.382 151 I CB -0.460 37.471 38.000 -0.115 0.000 1.060 151 I HN 0.384 nan 8.210 nan 0.000 0.418 152 A N 0.296 123.052 122.820 -0.108 0.000 2.066 152 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 152 A C 1.875 179.449 177.584 -0.016 0.000 1.157 152 A CA 1.099 53.117 52.037 -0.033 0.000 0.670 152 A CB -0.634 18.380 19.000 0.024 0.000 0.804 152 A HN 0.604 nan 8.150 nan 0.000 0.453 153 G N -1.916 106.859 108.800 -0.040 0.000 2.165 153 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.226 153 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.226 153 G C 0.068 174.967 174.900 -0.002 0.000 1.035 153 G CA -0.205 44.882 45.100 -0.022 0.000 0.744 153 G HN 0.622 nan 8.290 nan 0.000 0.501 154 C N 0.209 119.509 119.300 -0.001 0.000 2.634 154 C HA 0.303 4.763 4.460 -0.000 0.000 0.418 154 C C 2.071 177.073 174.990 0.021 0.000 1.373 154 C CA 0.538 59.576 59.018 0.034 0.000 1.756 154 C CB 0.967 28.742 27.740 0.058 0.000 2.589 154 C HN 0.647 nan 8.230 nan 0.000 0.602 155 K N 1.944 122.364 120.400 0.033 0.000 2.097 155 K HA -0.044 4.276 4.320 -0.000 0.000 0.205 155 K C 0.742 177.360 176.600 0.030 0.000 1.050 155 K CA 1.525 57.828 56.287 0.026 0.000 0.938 155 K CB 0.067 32.585 32.500 0.031 0.000 0.718 155 K HN 0.712 nan 8.250 nan 0.000 0.442 156 K N 0.133 120.561 120.400 0.047 0.000 2.463 156 K HA 0.326 4.646 4.320 -0.000 0.000 0.255 156 K C -1.701 174.939 176.600 0.067 0.000 0.942 156 K CA -0.667 55.654 56.287 0.056 0.000 0.814 156 K CB 1.784 34.327 32.500 0.073 0.000 1.122 156 K HN -0.188 nan 8.250 nan 0.000 0.425 157 V N 5.285 125.228 119.914 0.048 0.000 2.409 157 V HA 0.370 4.490 4.120 -0.000 0.000 0.290 157 V C -0.471 175.655 176.094 0.053 0.000 1.017 157 V CA -0.830 61.498 62.300 0.046 0.000 0.841 157 V CB 1.356 33.172 31.823 -0.012 0.000 1.003 157 V HN 0.604 nan 8.190 nan 0.000 0.426 158 V N 3.562 123.540 119.914 0.106 0.000 2.914 158 V HA 0.830 4.950 4.120 -0.000 0.000 0.314 158 V C -1.006 175.173 176.094 0.142 0.000 1.084 158 V CA -0.936 61.440 62.300 0.127 0.000 0.963 158 V CB 2.218 34.217 31.823 0.294 0.000 1.025 158 V HN 0.740 nan 8.190 nan 0.000 0.432 159 L N 2.784 124.067 121.223 0.099 0.000 2.408 159 L HA 0.831 5.171 4.340 -0.000 0.000 0.268 159 L C -1.024 175.940 176.870 0.158 0.000 0.986 159 L CA -0.089 54.815 54.840 0.106 0.000 0.820 159 L CB 1.716 43.789 42.059 0.024 0.000 1.303 159 L HN 0.966 nan 8.230 nan 0.000 0.411 160 C N 2.446 121.854 119.300 0.180 0.000 2.456 160 C HA 0.853 5.313 4.460 -0.000 0.000 0.325 160 C C -0.010 174.974 174.990 -0.011 0.000 1.217 160 C CA -0.370 58.770 59.018 0.203 0.000 1.687 160 C CB 1.461 29.394 27.740 0.321 0.000 2.270 160 C HN 0.810 nan 8.230 nan 0.000 0.499 161 S N 2.170 117.874 115.700 0.007 0.000 2.535 161 S HA 0.561 5.031 4.470 -0.000 0.000 0.272 161 S C -3.093 171.530 174.600 0.038 0.000 1.149 161 S CA -0.656 57.482 58.200 -0.103 0.000 0.888 161 S CB 1.717 64.862 63.200 -0.092 0.000 1.110 161 S HN 0.473 nan 8.310 nan 0.000 0.463 162 P HA 0.197 nan 4.420 nan 0.000 0.263 162 P C -2.508 174.833 177.300 0.067 0.000 1.195 162 P CA -0.667 62.509 63.100 0.126 0.000 0.762 162 P CB -0.052 31.761 31.700 0.188 0.000 0.799 163 P HA 0.221 nan 4.420 nan 0.000 0.278 163 P C -2.540 174.756 177.300 -0.008 0.000 1.238 163 P CA -2.035 61.082 63.100 0.028 0.000 0.794 163 P CB -0.069 31.653 31.700 0.038 0.000 0.955 164 P HA 0.311 nan 4.420 nan 0.000 0.280 164 P C -0.215 177.093 177.300 0.013 0.000 1.244 164 P CA -0.170 62.932 63.100 0.004 0.000 0.784 164 P CB 0.829 32.528 31.700 -0.003 0.000 0.913 165 I N 2.338 122.918 120.570 0.017 0.000 2.352 165 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 165 I C 1.230 177.358 176.117 0.018 0.000 1.036 165 I CA -0.694 60.618 61.300 0.019 0.000 1.336 165 I CB 0.858 38.867 38.000 0.015 0.000 1.407 165 I HN 0.396 nan 8.210 nan 0.000 0.497 166 A N 5.142 127.978 122.820 0.028 0.000 2.547 166 A HA -0.036 4.284 4.320 -0.000 0.000 0.233 166 A C 1.119 178.708 177.584 0.009 0.000 1.067 166 A CA -0.112 51.940 52.037 0.024 0.000 0.763 166 A CB 0.095 19.124 19.000 0.049 0.000 1.007 166 A HN 0.805 nan 8.150 nan 0.000 0.506 167 D N 1.154 121.547 120.400 -0.012 0.000 2.158 167 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 167 D C 1.649 177.925 176.300 -0.041 0.000 0.995 167 D CA 2.013 55.997 54.000 -0.026 0.000 0.846 167 D CB -0.144 40.625 40.800 -0.051 0.000 0.941 167 D HN 0.748 nan 8.370 nan 0.000 0.456 168 E N 0.323 120.463 120.200 -0.101 0.000 2.118 168 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 168 E C 2.280 178.825 176.600 -0.092 0.000 0.992 168 E CA 0.465 56.711 56.400 -0.255 0.000 0.804 168 E CB -0.152 29.266 29.700 -0.471 0.000 0.741 168 E HN 0.375 nan 8.360 nan 0.000 0.458 169 I N 0.182 120.774 120.570 0.036 0.000 2.233 169 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 169 I C 2.131 178.271 176.117 0.038 0.000 1.093 169 I CA 0.790 62.142 61.300 0.086 0.000 1.380 169 I CB -0.251 37.797 38.000 0.079 0.000 1.067 169 I HN 0.100 nan 8.210 nan 0.000 0.413 170 L N -0.227 121.009 121.223 0.022 0.000 1.990 170 L HA -0.302 4.038 4.340 -0.000 0.000 0.213 170 L C 2.758 179.630 176.870 0.004 0.000 1.072 170 L CA 1.929 56.772 54.840 0.004 0.000 0.755 170 L CB -0.909 41.156 42.059 0.010 0.000 0.889 170 L HN 0.272 nan 8.230 nan 0.000 0.432 171 Y N 0.470 120.722 120.300 -0.079 0.000 2.224 171 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 171 Y C 2.474 178.332 175.900 -0.069 0.000 1.146 171 Y CA 1.380 59.429 58.100 -0.085 0.000 1.182 171 Y CB -0.161 38.226 38.460 -0.120 0.000 0.983 171 Y HN 0.129 nan 8.280 nan 0.000 0.524 172 A N 0.542 123.354 122.820 -0.014 0.000 1.877 172 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 172 A C 2.429 179.954 177.584 -0.099 0.000 1.186 172 A CA 1.939 53.963 52.037 -0.022 0.000 0.620 172 A CB -1.563 17.521 19.000 0.140 0.000 0.822 172 A HN 0.602 nan 8.150 nan 0.000 0.443 173 A N -1.015 121.761 122.820 -0.073 0.000 1.865 173 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 173 A C 2.177 179.675 177.584 -0.143 0.000 1.191 173 A CA 2.315 54.299 52.037 -0.088 0.000 0.623 173 A CB -0.635 18.323 19.000 -0.070 0.000 0.826 173 A HN 0.523 nan 8.150 nan 0.000 0.444 174 Q N -0.576 119.112 119.800 -0.186 0.000 2.096 174 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 174 Q C 1.862 177.703 176.000 -0.265 0.000 0.982 174 Q CA 1.901 57.575 55.803 -0.215 0.000 0.850 174 Q CB -0.613 27.990 28.738 -0.226 0.000 0.901 174 Q HN 0.539 nan 8.270 nan 0.000 0.422 175 L N -0.648 120.338 121.223 -0.395 0.000 2.083 175 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 175 L C 1.693 178.445 176.870 -0.197 0.000 1.083 175 L CA 1.651 56.279 54.840 -0.353 0.000 0.752 175 L CB -0.378 41.418 42.059 -0.440 0.000 0.899 175 L HN 0.348 nan 8.230 nan 0.000 0.433 176 C N 0.516 119.716 119.300 -0.166 0.000 2.613 176 C HA 0.489 4.949 4.460 -0.000 0.000 0.273 176 C C 1.649 176.562 174.990 -0.127 0.000 1.304 176 C CA 0.088 59.026 59.018 -0.134 0.000 1.702 176 C CB -1.643 26.022 27.740 -0.126 0.000 1.792 176 C HN 0.844 nan 8.230 nan 0.000 0.588 177 G N 1.029 109.754 108.800 -0.126 0.000 2.160 177 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 177 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 177 G C 0.070 174.913 174.900 -0.095 0.000 1.022 177 G CA 0.233 45.270 45.100 -0.106 0.000 0.741 177 G HN 0.395 nan 8.290 nan 0.000 0.508 178 V N 0.555 120.409 119.914 -0.100 0.000 2.673 178 V HA 0.057 4.177 4.120 -0.000 0.000 0.303 178 V C 1.726 177.768 176.094 -0.086 0.000 1.046 178 V CA 1.272 63.521 62.300 -0.084 0.000 1.126 178 V CB 1.300 33.074 31.823 -0.082 0.000 0.934 178 V HN 0.622 nan 8.190 nan 0.000 0.487 179 Q N 2.136 121.894 119.800 -0.070 0.000 2.062 179 Q HA 0.042 4.382 4.340 -0.000 0.000 0.196 179 Q C -0.180 175.749 176.000 -0.119 0.000 0.967 179 Q CA 0.908 56.669 55.803 -0.071 0.000 0.832 179 Q CB 0.255 28.974 28.738 -0.032 0.000 0.899 179 Q HN 0.756 nan 8.270 nan 0.000 0.442 180 D N -0.086 120.209 120.400 -0.174 0.000 2.738 180 D HA 0.392 5.032 4.640 -0.000 0.000 0.237 180 D C -1.237 174.747 176.300 -0.527 0.000 1.123 180 D CA -0.369 53.391 54.000 -0.400 0.000 0.856 180 D CB 2.943 43.435 40.800 -0.513 0.000 1.552 180 D HN -0.177 nan 8.370 nan 0.000 0.480 181 V N 2.194 121.746 119.914 -0.604 0.000 2.487 181 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 181 V C -0.724 175.056 176.094 -0.523 0.000 1.028 181 V CA -0.692 61.362 62.300 -0.409 0.000 0.860 181 V CB 1.166 32.873 31.823 -0.194 0.000 0.991 181 V HN 0.377 nan 8.190 nan 0.000 0.427 182 F N 2.398 122.369 119.950 0.035 0.000 2.469 182 F HA 0.475 5.002 4.527 -0.000 0.000 0.332 182 F C 0.908 176.737 175.800 0.048 0.000 1.103 182 F CA -0.825 57.202 58.000 0.045 0.000 0.979 182 F CB 1.532 40.568 39.000 0.060 0.000 1.137 182 F HN 0.373 nan 8.300 nan 0.000 0.463 183 N N 2.909 121.753 118.700 0.241 0.000 2.895 183 N HA 0.213 4.953 4.740 -0.000 0.000 0.277 183 N C -1.096 174.515 175.510 0.168 0.000 1.185 183 N CA 0.209 53.352 53.050 0.155 0.000 1.106 183 N CB 1.090 39.644 38.487 0.112 0.000 1.422 183 N HN 0.390 nan 8.380 nan 0.000 0.521 184 V N -0.446 119.581 119.914 0.188 0.000 3.077 184 V HA 0.836 4.956 4.120 -0.000 0.000 0.299 184 V C -0.535 175.706 176.094 0.245 0.000 1.276 184 V CA -0.489 61.928 62.300 0.194 0.000 0.993 184 V CB 1.898 33.825 31.823 0.174 0.000 1.076 184 V HN 0.507 nan 8.190 nan 0.000 0.434 185 G N 2.109 111.070 108.800 0.269 0.000 2.870 185 G HA2 0.836 4.796 3.960 -0.000 0.000 0.299 185 G HA3 0.836 4.796 3.960 -0.000 0.000 0.299 185 G C 0.359 175.406 174.900 0.245 0.000 1.324 185 G CA -0.058 45.284 45.100 0.403 0.000 0.808 185 G HN 2.239 nan 8.290 nan 0.000 0.535 186 G N -0.873 108.048 108.800 0.202 0.000 2.633 186 G HA2 0.215 4.175 3.960 -0.000 0.000 0.263 186 G HA3 0.215 4.175 3.960 -0.000 0.000 0.263 186 G C 1.432 176.231 174.900 -0.167 0.000 1.310 186 G CA 1.293 46.359 45.100 -0.057 0.000 0.914 186 G HN 2.009 nan 8.290 nan 0.000 0.569 187 A N -0.554 122.158 122.820 -0.179 0.000 2.125 187 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 187 A C 2.386 179.877 177.584 -0.155 0.000 1.156 187 A CA 2.438 54.382 52.037 -0.156 0.000 0.671 187 A CB -0.399 18.544 19.000 -0.096 0.000 0.794 187 A HN 1.158 nan 8.150 nan 0.000 0.459 188 Q N -0.792 118.907 119.800 -0.168 0.000 2.269 188 Q HA 0.113 4.453 4.340 -0.000 0.000 0.201 188 Q C 1.879 177.877 176.000 -0.004 0.000 0.946 188 Q CA 1.247 56.995 55.803 -0.090 0.000 0.877 188 Q CB -0.561 28.119 28.738 -0.098 0.000 0.963 188 Q HN 0.489 nan 8.270 nan 0.000 0.472 189 A N 1.624 124.451 122.820 0.011 0.000 1.929 189 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 189 A C 2.156 179.743 177.584 0.005 0.000 1.176 189 A CA 0.853 52.940 52.037 0.082 0.000 0.628 189 A CB -0.262 18.897 19.000 0.265 0.000 0.816 189 A HN 0.277 nan 8.150 nan 0.000 0.444 190 I N 0.189 120.695 120.570 -0.107 0.000 2.252 190 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 190 I C 2.914 178.903 176.117 -0.213 0.000 1.102 190 I CA 1.419 62.623 61.300 -0.161 0.000 1.385 190 I CB -1.648 36.218 38.000 -0.222 0.000 1.064 190 I HN 0.350 nan 8.210 nan 0.000 0.414 191 A N 0.946 123.646 122.820 -0.200 0.000 1.902 191 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 191 A C 2.575 180.042 177.584 -0.195 0.000 1.181 191 A CA 1.952 53.808 52.037 -0.302 0.000 0.623 191 A CB -0.781 18.242 19.000 0.039 0.000 0.818 191 A HN 0.409 nan 8.150 nan 0.000 0.443 192 A N -0.369 122.422 122.820 -0.048 0.000 1.933 192 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 192 A C 2.163 179.706 177.584 -0.068 0.000 1.175 192 A CA 1.540 53.565 52.037 -0.020 0.000 0.628 192 A CB -0.525 18.456 19.000 -0.032 0.000 0.814 192 A HN 0.483 nan 8.150 nan 0.000 0.444 193 L N -1.251 119.920 121.223 -0.086 0.000 2.109 193 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 193 L C 3.057 179.860 176.870 -0.111 0.000 1.086 193 L CA 0.907 55.712 54.840 -0.059 0.000 0.760 193 L CB -0.461 41.595 42.059 -0.005 0.000 0.910 193 L HN 0.429 nan 8.230 nan 0.000 0.437 194 A N -0.205 122.453 122.820 -0.270 0.000 1.897 194 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 194 A C 1.819 179.251 177.584 -0.252 0.000 1.181 194 A CA 1.377 53.188 52.037 -0.376 0.000 0.620 194 A CB -0.413 18.162 19.000 -0.709 0.000 0.821 194 A HN 0.334 nan 8.150 nan 0.000 0.443 195 F N -0.780 119.165 119.950 -0.008 0.000 2.582 195 F HA 0.434 4.961 4.527 -0.000 0.000 0.290 195 F C 1.494 177.287 175.800 -0.012 0.000 1.115 195 F CA 0.037 58.032 58.000 -0.008 0.000 1.445 195 F CB -0.857 38.140 39.000 -0.005 0.000 1.126 195 F HN 0.406 nan 8.300 nan 0.000 0.574 196 G N 0.694 109.568 108.800 0.124 0.000 2.716 196 G HA2 0.135 4.095 3.960 -0.000 0.000 0.686 196 G HA3 0.135 4.095 3.960 -0.000 0.000 0.686 196 G C -0.230 174.699 174.900 0.048 0.000 1.337 196 G CA -0.426 44.703 45.100 0.048 0.000 0.829 196 G HN 0.553 nan 8.290 nan 0.000 0.599 197 T N -1.975 112.569 114.554 -0.016 0.000 2.626 197 T HA 0.726 5.076 4.350 -0.000 0.000 0.279 197 T C 1.009 175.693 174.700 -0.026 0.000 0.983 197 T CA 0.452 62.544 62.100 -0.013 0.000 1.059 197 T CB 1.477 70.326 68.868 -0.031 0.000 1.396 197 T HN 0.542 nan 8.240 nan 0.000 0.519 198 E N 0.327 120.517 120.200 -0.017 0.000 2.268 198 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 198 E C 1.858 178.451 176.600 -0.011 0.000 0.995 198 E CA 1.348 57.745 56.400 -0.006 0.000 0.836 198 E CB -0.062 29.640 29.700 0.003 0.000 0.763 198 E HN 0.515 nan 8.360 nan 0.000 0.491 199 S N -0.734 114.934 115.700 -0.052 0.000 2.599 199 S HA 0.131 4.601 4.470 -0.000 0.000 0.236 199 S C 0.521 174.962 174.600 -0.265 0.000 1.077 199 S CA -0.273 57.890 58.200 -0.062 0.000 0.906 199 S CB 0.841 64.025 63.200 -0.026 0.000 0.804 199 S HN -0.068 nan 8.310 nan 0.000 0.497 200 V N 5.643 125.288 119.914 -0.448 0.000 2.432 200 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 200 V C -2.320 173.625 176.094 -0.248 0.000 1.043 200 V CA -2.088 59.788 62.300 -0.705 0.000 0.925 200 V CB 0.985 32.406 31.823 -0.670 0.000 0.985 200 V HN 0.218 nan 8.190 nan 0.000 0.466 201 P HA 0.175 nan 4.420 nan 0.000 0.275 201 P C -0.764 176.544 177.300 0.013 0.000 1.228 201 P CA -0.619 62.485 63.100 0.007 0.000 0.786 201 P CB 1.126 32.878 31.700 0.086 0.000 0.927 202 K N 2.230 122.648 120.400 0.029 0.000 2.322 202 K HA 0.300 4.620 4.320 -0.000 0.000 0.283 202 K C -0.041 176.585 176.600 0.043 0.000 1.042 202 K CA -0.544 55.763 56.287 0.033 0.000 0.958 202 K CB 0.360 32.891 32.500 0.051 0.000 0.984 202 K HN 0.358 nan 8.250 nan 0.000 0.473 203 V N 0.568 120.504 119.914 0.037 0.000 3.096 203 V HA 0.331 4.451 4.120 -0.000 0.000 0.319 203 V C 0.320 176.437 176.094 0.039 0.000 1.103 203 V CA -0.518 61.818 62.300 0.059 0.000 1.016 203 V CB 1.816 33.694 31.823 0.092 0.000 1.090 203 V HN 0.834 nan 8.190 nan 0.000 0.449 204 D N 0.199 120.632 120.400 0.054 0.000 2.213 204 D HA 0.118 4.758 4.640 -0.000 0.000 0.205 204 D C 0.433 176.731 176.300 -0.003 0.000 0.961 204 D CA 1.237 55.255 54.000 0.030 0.000 0.853 204 D CB 0.585 41.412 40.800 0.046 0.000 0.967 204 D HN 0.618 nan 8.370 nan 0.000 0.496 205 K N 0.314 120.730 120.400 0.026 0.000 2.498 205 K HA 0.464 4.784 4.320 -0.000 0.000 0.254 205 K C -1.505 175.064 176.600 -0.051 0.000 0.933 205 K CA -0.516 55.714 56.287 -0.094 0.000 0.806 205 K CB 2.189 34.600 32.500 -0.149 0.000 1.301 205 K HN -0.205 nan 8.250 nan 0.000 0.432 206 I N 4.235 124.665 120.570 -0.233 0.000 2.404 206 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 206 I C -0.993 174.963 176.117 -0.269 0.000 0.992 206 I CA -0.772 60.476 61.300 -0.087 0.000 1.149 206 I CB 0.932 38.881 38.000 -0.085 0.000 1.315 206 I HN 0.441 nan 8.210 nan 0.000 0.446 207 F N 2.969 122.934 119.950 0.024 0.000 2.546 207 F HA 0.827 5.354 4.527 -0.000 0.000 0.320 207 F C 0.551 176.415 175.800 0.106 0.000 1.076 207 F CA -0.891 57.129 58.000 0.032 0.000 0.928 207 F CB 2.176 41.207 39.000 0.051 0.000 1.189 207 F HN 0.559 nan 8.300 nan 0.000 0.465 208 G N 2.558 111.527 108.800 0.282 0.000 2.885 208 G HA2 0.137 4.097 3.960 -0.000 0.000 0.685 208 G HA3 0.137 4.097 3.960 -0.000 0.000 0.685 208 G C -3.366 171.655 174.900 0.202 0.000 1.216 208 G CA -1.381 43.872 45.100 0.255 0.000 0.790 208 G HN 0.443 nan 8.290 nan 0.000 0.631 209 P HA 0.772 nan 4.420 nan 0.000 0.280 209 P C 0.585 177.996 177.300 0.185 0.000 1.272 209 P CA 0.389 63.561 63.100 0.119 0.000 0.819 209 P CB 2.098 33.842 31.700 0.073 0.000 1.122 210 G N 0.028 108.896 108.800 0.114 0.000 2.489 210 G HA2 0.349 4.309 3.960 -0.000 0.000 0.305 210 G HA3 0.349 4.309 3.960 -0.000 0.000 0.305 210 G C -0.758 174.182 174.900 0.068 0.000 1.311 210 G CA -0.738 44.454 45.100 0.153 0.000 0.813 210 G HN 0.711 nan 8.290 nan 0.000 0.480 211 N N -0.276 118.474 118.700 0.082 0.000 2.240 211 N HA 0.390 5.130 4.740 -0.000 0.000 0.250 211 N C 1.770 177.272 175.510 -0.014 0.000 1.316 211 N CA 0.810 53.890 53.050 0.049 0.000 0.894 211 N CB 0.074 38.622 38.487 0.102 0.000 1.101 211 N HN 0.942 nan 8.380 nan 0.000 0.491 212 A N -0.769 122.005 122.820 -0.077 0.000 1.883 212 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 212 A C 2.035 179.466 177.584 -0.255 0.000 1.186 212 A CA 1.361 53.268 52.037 -0.217 0.000 0.624 212 A CB -1.271 17.507 19.000 -0.370 0.000 0.822 212 A HN 0.602 nan 8.150 nan 0.000 0.444 213 F N -0.091 119.791 119.950 -0.113 0.000 2.102 213 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 213 F C 2.471 178.174 175.800 -0.161 0.000 1.105 213 F CA 1.580 59.498 58.000 -0.138 0.000 1.239 213 F CB -0.774 38.124 39.000 -0.171 0.000 0.991 213 F HN 0.028 nan 8.300 nan 0.000 0.474 214 V N -0.503 119.412 119.914 0.002 0.000 2.332 214 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 214 V C 2.259 178.268 176.094 -0.141 0.000 1.055 214 V CA 2.408 64.608 62.300 -0.166 0.000 1.038 214 V CB -1.135 30.520 31.823 -0.280 0.000 0.651 214 V HN 0.406 nan 8.190 nan 0.000 0.450 215 T N -0.503 113.992 114.554 -0.099 0.000 2.708 215 T HA -0.228 4.122 4.350 -0.000 0.000 0.266 215 T C 1.935 176.579 174.700 -0.093 0.000 1.037 215 T CA 1.857 63.902 62.100 -0.091 0.000 1.146 215 T CB -0.212 68.608 68.868 -0.079 0.000 0.865 215 T HN 0.529 nan 8.240 nan 0.000 0.435 216 E N 1.518 121.660 120.200 -0.095 0.000 2.051 216 E HA -0.036 4.313 4.350 -0.000 0.000 0.192 216 E C 2.239 178.798 176.600 -0.069 0.000 0.991 216 E CA 1.424 57.775 56.400 -0.082 0.000 0.799 216 E CB -0.618 29.024 29.700 -0.096 0.000 0.748 216 E HN 0.414 nan 8.360 nan 0.000 0.449 217 A N 0.826 123.602 122.820 -0.073 0.000 1.908 217 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 217 A C 2.098 179.613 177.584 -0.115 0.000 1.181 217 A CA 1.986 53.971 52.037 -0.086 0.000 0.627 217 A CB -0.503 18.429 19.000 -0.113 0.000 0.818 217 A HN 0.235 nan 8.150 nan 0.000 0.445 218 K N -0.919 119.402 120.400 -0.131 0.000 2.026 218 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 218 K C 2.409 178.939 176.600 -0.116 0.000 1.048 218 K CA 1.447 57.651 56.287 -0.138 0.000 0.929 218 K CB -0.209 32.208 32.500 -0.138 0.000 0.713 218 K HN 0.451 nan 8.250 nan 0.000 0.439 219 R N 1.465 121.908 120.500 -0.094 0.000 2.083 219 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 219 R C 2.259 178.522 176.300 -0.061 0.000 1.137 219 R CA 1.826 57.881 56.100 -0.076 0.000 0.951 219 R CB -0.054 30.211 30.300 -0.058 0.000 0.851 219 R HN 0.288 nan 8.270 nan 0.000 0.434 220 Q N -0.210 119.561 119.800 -0.050 0.000 2.050 220 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 220 Q C 2.130 178.117 176.000 -0.021 0.000 0.980 220 Q CA 1.995 57.785 55.803 -0.022 0.000 0.840 220 Q CB -0.081 28.657 28.738 0.001 0.000 0.898 220 Q HN 0.415 nan 8.270 nan 0.000 0.424 221 V N -1.182 118.693 119.914 -0.066 0.000 2.913 221 V HA -0.145 3.975 4.120 -0.000 0.000 0.260 221 V C 2.025 178.070 176.094 -0.081 0.000 1.098 221 V CA 1.675 63.917 62.300 -0.097 0.000 1.121 221 V CB -0.716 30.963 31.823 -0.240 0.000 0.714 221 V HN 0.325 nan 8.190 nan 0.000 0.487 222 S N -0.690 114.959 115.700 -0.084 0.000 2.496 222 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 222 S C 1.733 176.301 174.600 -0.053 0.000 0.996 222 S CA 0.473 58.623 58.200 -0.085 0.000 0.927 222 S CB -0.239 62.897 63.200 -0.106 0.000 0.774 222 S HN 0.631 nan 8.310 nan 0.000 0.524 223 Q N 0.548 120.328 119.800 -0.033 0.000 2.282 223 Q HA 0.328 4.668 4.340 -0.000 0.000 0.206 223 Q C -0.117 175.886 176.000 0.005 0.000 0.878 223 Q CA 0.115 55.908 55.803 -0.016 0.000 0.944 223 Q CB 0.524 29.253 28.738 -0.014 0.000 1.100 223 Q HN 0.573 nan 8.270 nan 0.000 0.509 224 R N 0.534 121.047 120.500 0.021 0.000 2.460 224 R HA 0.375 4.715 4.340 -0.000 0.000 0.303 224 R C 1.261 177.593 176.300 0.053 0.000 0.968 224 R CA -0.315 55.818 56.100 0.055 0.000 0.889 224 R CB 1.315 31.688 30.300 0.120 0.000 1.123 224 R HN 0.016 nan 8.270 nan 0.000 0.455 225 L N 1.498 122.748 121.223 0.046 0.000 2.141 225 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 225 L C 1.406 178.313 176.870 0.062 0.000 1.094 225 L CA 1.387 56.249 54.840 0.038 0.000 0.763 225 L CB -0.451 41.622 42.059 0.025 0.000 0.908 225 L HN 0.712 nan 8.230 nan 0.000 0.437 226 D N -0.295 120.165 120.400 0.099 0.000 2.323 226 D HA -0.021 4.619 4.640 -0.000 0.000 0.209 226 D C 1.504 177.969 176.300 0.274 0.000 0.973 226 D CA 0.669 54.760 54.000 0.151 0.000 0.874 226 D CB -0.337 40.522 40.800 0.099 0.000 0.930 226 D HN 0.163 nan 8.370 nan 0.000 0.521 227 G N -0.004 108.940 108.800 0.240 0.000 2.608 227 G HA2 0.498 4.458 3.960 -0.000 0.000 0.212 227 G HA3 0.498 4.458 3.960 -0.000 0.000 0.212 227 G C -0.180 174.709 174.900 -0.020 0.000 1.572 227 G CA 0.139 45.288 45.100 0.082 0.000 1.064 227 G HN 0.541 nan 8.290 nan 0.000 0.556 228 A N -2.580 120.183 122.820 -0.094 0.000 2.593 228 A HA 0.821 5.141 4.320 -0.000 0.000 0.290 228 A C -0.093 177.425 177.584 -0.111 0.000 1.126 228 A CA 0.105 52.089 52.037 -0.088 0.000 0.695 228 A CB 0.851 19.789 19.000 -0.103 0.000 1.290 228 A HN 1.820 nan 8.150 nan 0.000 0.414 229 A N 0.012 122.761 122.820 -0.118 0.000 2.304 229 A HA 0.719 5.039 4.320 -0.000 0.000 0.271 229 A C 0.199 177.640 177.584 -0.239 0.000 1.091 229 A CA 0.087 52.029 52.037 -0.159 0.000 0.812 229 A CB -0.171 18.739 19.000 -0.150 0.000 1.056 229 A HN 1.712 nan 8.150 nan 0.000 0.489 230 I N -1.718 118.686 120.570 -0.277 0.000 2.957 230 I HA 0.592 4.762 4.170 -0.000 0.000 0.310 230 I C -0.494 175.338 176.117 -0.474 0.000 1.063 230 I CA -1.185 59.898 61.300 -0.362 0.000 1.033 230 I CB 1.871 39.720 38.000 -0.252 0.000 1.230 230 I HN 0.683 nan 8.210 nan 0.000 0.447 234 A N -0.453 122.343 122.820 -0.041 0.000 2.326 234 A HA 1.000 5.320 4.320 -0.000 0.000 0.303 234 A C 0.219 177.886 177.584 0.139 0.000 1.164 234 A CA -0.054 51.998 52.037 0.024 0.000 0.929 234 A CB 0.874 19.866 19.000 -0.013 0.000 1.363 234 A HN 1.360 nan 8.150 nan 0.000 0.498 235 G N -1.723 107.096 108.800 0.032 0.000 2.325 235 G HA2 0.488 4.448 3.960 -0.000 0.000 0.297 235 G HA3 0.488 4.448 3.960 -0.000 0.000 0.297 235 G C -3.517 171.288 174.900 -0.158 0.000 1.448 235 G CA -0.703 44.326 45.100 -0.119 0.000 0.838 235 G HN 0.589 nan 8.290 nan 0.000 0.579 236 P HA 0.413 nan 4.420 nan 0.000 0.271 236 P C 0.133 177.413 177.300 -0.034 0.000 1.218 236 P CA -0.073 62.943 63.100 -0.141 0.000 0.780 236 P CB 1.003 32.602 31.700 -0.168 0.000 0.901 237 S N 1.473 117.173 115.700 -0.001 0.000 2.585 237 S HA 0.209 4.679 4.470 -0.000 0.000 0.273 237 S C 0.022 174.690 174.600 0.114 0.000 1.339 237 S CA -0.327 57.905 58.200 0.055 0.000 1.028 237 S CB 0.123 63.338 63.200 0.026 0.000 0.906 237 S HN 0.415 nan 8.310 nan 0.000 0.528 238 E N 0.002 120.316 120.200 0.191 0.000 2.367 238 E HA 0.699 5.049 4.350 -0.000 0.000 0.273 238 E C -1.618 175.157 176.600 0.292 0.000 0.903 238 E CA -0.834 55.704 56.400 0.229 0.000 0.764 238 E CB 2.214 32.087 29.700 0.289 0.000 1.252 238 E HN 0.267 nan 8.360 nan 0.000 0.446 239 V N 2.765 122.788 119.914 0.181 0.000 2.808 239 V HA 0.568 4.688 4.120 -0.000 0.000 0.308 239 V C -1.808 174.317 176.094 0.051 0.000 1.099 239 V CA -0.641 61.728 62.300 0.115 0.000 0.920 239 V CB 1.806 33.612 31.823 -0.027 0.000 1.014 239 V HN 0.649 nan 8.190 nan 0.000 0.425 240 L N 6.602 127.853 121.223 0.048 0.000 2.406 240 L HA 0.776 5.116 4.340 -0.000 0.000 0.272 240 L C -1.302 175.555 176.870 -0.020 0.000 0.980 240 L CA -0.413 54.414 54.840 -0.021 0.000 0.831 240 L CB 1.999 44.048 42.059 -0.017 0.000 1.253 240 L HN 0.532 nan 8.230 nan 0.000 0.406 241 V N 5.969 125.853 119.914 -0.051 0.000 2.459 241 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 241 V C 0.067 176.130 176.094 -0.052 0.000 1.029 241 V CA -0.425 61.848 62.300 -0.045 0.000 0.874 241 V CB 1.815 33.605 31.823 -0.055 0.000 0.985 241 V HN 0.559 nan 8.190 nan 0.000 0.438 242 I N 4.019 124.567 120.570 -0.037 0.000 2.339 242 I HA 0.740 4.910 4.170 -0.000 0.000 0.290 242 I C 0.182 176.277 176.117 -0.037 0.000 0.994 242 I CA -0.343 60.930 61.300 -0.045 0.000 1.191 242 I CB 1.661 39.640 38.000 -0.035 0.000 1.343 242 I HN 0.717 nan 8.210 nan 0.000 0.458 243 A N 5.366 128.160 122.820 -0.044 0.000 2.374 243 A HA 0.651 4.971 4.320 -0.000 0.000 0.305 243 A C -0.978 176.583 177.584 -0.038 0.000 1.053 243 A CA -0.728 51.286 52.037 -0.039 0.000 0.726 243 A CB 1.235 20.209 19.000 -0.044 0.000 1.229 243 A HN 0.715 nan 8.150 nan 0.000 0.431 244 D N 0.928 121.308 120.400 -0.032 0.000 2.529 244 D HA 0.335 4.975 4.640 -0.000 0.000 0.273 244 D C 1.240 177.522 176.300 -0.031 0.000 1.197 244 D CA 0.141 54.124 54.000 -0.028 0.000 1.070 244 D CB 0.239 41.027 40.800 -0.019 0.000 1.134 244 D HN 0.375 nan 8.370 nan 0.000 0.590 245 S N -1.861 113.823 115.700 -0.026 0.000 2.500 245 S HA -0.007 4.463 4.470 -0.000 0.000 0.239 245 S C 1.824 176.405 174.600 -0.033 0.000 0.989 245 S CA 0.534 58.717 58.200 -0.028 0.000 0.951 245 S CB -0.876 62.312 63.200 -0.020 0.000 0.759 245 S HN 0.710 nan 8.310 nan 0.000 0.523 246 G N 0.668 109.450 108.800 -0.029 0.000 2.880 246 G HA2 0.508 4.467 3.960 -0.000 0.000 0.209 246 G HA3 0.508 4.467 3.960 -0.000 0.000 0.209 246 G C 0.458 175.326 174.900 -0.052 0.000 1.157 246 G CA 0.115 45.197 45.100 -0.030 0.000 0.779 246 G HN 0.765 nan 8.290 nan 0.000 0.539 247 A N -0.024 122.758 122.820 -0.063 0.000 2.346 247 A HA 0.572 4.892 4.320 -0.000 0.000 0.252 247 A C 0.304 177.795 177.584 -0.155 0.000 1.089 247 A CA 0.121 52.102 52.037 -0.092 0.000 0.797 247 A CB 0.313 19.272 19.000 -0.069 0.000 1.047 247 A HN 0.093 nan 8.150 nan 0.000 0.494 248 T N 3.352 117.754 114.554 -0.254 0.000 2.753 248 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 248 T C -1.892 172.632 174.700 -0.294 0.000 0.981 248 T CA -0.819 61.026 62.100 -0.424 0.000 0.956 248 T CB 1.208 69.439 68.868 -1.061 0.000 0.936 248 T HN 0.430 nan 8.240 nan 0.000 0.463 249 P HA -0.200 nan 4.420 nan 0.000 0.217 249 P C 1.288 178.539 177.300 -0.082 0.000 1.162 249 P CA 1.197 64.230 63.100 -0.112 0.000 0.901 249 P CB 0.215 31.858 31.700 -0.094 0.000 0.793 250 D N -2.097 118.238 120.400 -0.108 0.000 2.178 250 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 250 D C 1.795 178.184 176.300 0.148 0.000 0.980 250 D CA 0.977 54.975 54.000 -0.002 0.000 0.842 250 D CB -0.526 40.278 40.800 0.006 0.000 0.948 250 D HN 0.107 nan 8.370 nan 0.000 0.472 251 F N 0.767 120.661 119.950 -0.093 0.000 2.146 251 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 251 F C 2.551 178.281 175.800 -0.116 0.000 1.096 251 F CA 0.104 58.030 58.000 -0.124 0.000 1.275 251 F CB -1.196 37.684 39.000 -0.199 0.000 1.008 251 F HN -0.161 nan 8.300 nan 0.000 0.480 252 V N 0.366 120.334 119.914 0.089 0.000 2.287 252 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 252 V C 2.698 178.785 176.094 -0.011 0.000 1.053 252 V CA 1.850 64.154 62.300 0.007 0.000 1.027 252 V CB -1.475 30.335 31.823 -0.023 0.000 0.646 252 V HN 0.316 nan 8.190 nan 0.000 0.447 253 A N 0.757 123.576 122.820 -0.002 0.000 1.902 253 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 253 A C 2.553 180.126 177.584 -0.017 0.000 1.181 253 A CA 2.369 54.398 52.037 -0.013 0.000 0.623 253 A CB -0.846 18.149 19.000 -0.008 0.000 0.818 253 A HN 0.708 nan 8.150 nan 0.000 0.443 254 S N -0.187 115.515 115.700 0.002 0.000 2.419 254 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 254 S C 1.360 175.923 174.600 -0.062 0.000 1.016 254 S CA 1.482 59.671 58.200 -0.019 0.000 0.974 254 S CB -0.420 62.781 63.200 0.001 0.000 0.786 254 S HN 0.551 nan 8.310 nan 0.000 0.492 255 D N 1.464 121.818 120.400 -0.076 0.000 2.213 255 D HA 0.133 4.772 4.640 -0.000 0.000 0.205 255 D C 2.016 178.243 176.300 -0.122 0.000 0.961 255 D CA 0.703 54.626 54.000 -0.129 0.000 0.853 255 D CB -0.164 40.544 40.800 -0.154 0.000 0.967 255 D HN 0.395 nan 8.370 nan 0.000 0.496 256 L N 0.493 121.666 121.223 -0.084 0.000 2.056 256 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 256 L C 2.580 179.410 176.870 -0.067 0.000 1.078 256 L CA 0.683 55.481 54.840 -0.070 0.000 0.749 256 L CB -0.346 41.683 42.059 -0.051 0.000 0.901 256 L HN 0.007 nan 8.230 nan 0.000 0.433 257 L N -1.034 120.151 121.223 -0.063 0.000 2.093 257 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 257 L C 2.736 179.552 176.870 -0.091 0.000 1.085 257 L CA 0.773 55.576 54.840 -0.062 0.000 0.755 257 L CB -0.370 41.660 42.059 -0.047 0.000 0.904 257 L HN 0.198 nan 8.230 nan 0.000 0.435 258 S N -0.475 115.157 115.700 -0.113 0.000 2.359 258 S HA -0.282 4.188 4.470 -0.000 0.000 0.224 258 S C 1.866 176.351 174.600 -0.191 0.000 1.035 258 S CA 1.582 59.685 58.200 -0.161 0.000 1.018 258 S CB -0.200 62.901 63.200 -0.165 0.000 0.876 258 S HN 0.364 nan 8.310 nan 0.000 0.448 259 Q N 1.602 121.326 119.800 -0.128 0.000 2.046 259 Q HA 0.082 4.422 4.340 -0.000 0.000 0.200 259 Q C 2.089 178.089 176.000 -0.001 0.000 0.975 259 Q CA 1.801 57.579 55.803 -0.041 0.000 0.836 259 Q CB -0.783 27.920 28.738 -0.059 0.000 0.896 259 Q HN 0.443 nan 8.270 nan 0.000 0.428 260 A N 1.090 123.890 122.820 -0.033 0.000 1.908 260 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 260 A C 1.801 179.371 177.584 -0.023 0.000 1.181 260 A CA 1.865 53.892 52.037 -0.016 0.000 0.627 260 A CB -0.940 18.045 19.000 -0.025 0.000 0.818 260 A HN 0.708 nan 8.150 nan 0.000 0.445 261 E N -1.484 118.667 120.200 -0.080 0.000 2.516 261 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 261 E C 1.364 177.904 176.600 -0.101 0.000 1.069 261 E CA 0.755 57.097 56.400 -0.096 0.000 0.876 261 E CB -0.372 29.251 29.700 -0.130 0.000 0.843 261 E HN 0.697 nan 8.360 nan 0.000 0.530 262 H N 0.819 119.870 119.070 -0.032 0.000 2.403 262 H HA 0.239 4.795 4.556 -0.000 0.000 0.298 262 H C 0.897 176.216 175.328 -0.015 0.000 1.059 262 H CA 1.426 57.455 56.048 -0.031 0.000 1.363 262 H CB 0.771 30.506 29.762 -0.045 0.000 1.410 262 H HN 0.344 nan 8.280 nan 0.000 0.528 263 G N -0.667 108.199 108.800 0.110 0.000 2.556 263 G HA2 0.115 4.075 3.960 -0.000 0.000 0.294 263 G HA3 0.115 4.075 3.960 -0.000 0.000 0.294 263 G C -2.204 172.717 174.900 0.036 0.000 1.516 263 G CA -0.673 44.464 45.100 0.061 0.000 0.824 263 G HN -0.219 nan 8.290 nan 0.000 0.535 264 P HA -0.066 nan 4.420 nan 0.000 0.221 264 P C 0.515 177.820 177.300 0.009 0.000 1.145 264 P CA 1.088 64.196 63.100 0.013 0.000 0.795 264 P CB 0.474 32.180 31.700 0.010 0.000 0.775 265 D N -0.712 119.690 120.400 0.003 0.000 2.340 265 D HA 0.039 4.679 4.640 -0.000 0.000 0.220 265 D C 0.247 176.548 176.300 0.002 0.000 1.039 265 D CA 0.223 54.217 54.000 -0.010 0.000 0.866 265 D CB -0.287 40.491 40.800 -0.038 0.000 0.913 265 D HN 0.038 nan 8.370 nan 0.000 0.523 266 S N 1.196 116.909 115.700 0.022 0.000 2.558 266 S HA 0.042 4.512 4.470 -0.000 0.000 0.288 266 S C 0.231 174.859 174.600 0.047 0.000 1.318 266 S CA -0.197 58.028 58.200 0.041 0.000 1.056 266 S CB 0.726 63.960 63.200 0.056 0.000 0.853 266 S HN 0.108 nan 8.310 nan 0.000 0.505 267 Q N 2.019 121.864 119.800 0.075 0.000 2.303 267 Q HA 0.436 4.776 4.340 -0.000 0.000 0.257 267 Q C -0.864 175.176 176.000 0.066 0.000 0.941 267 Q CA -0.335 55.524 55.803 0.093 0.000 0.931 267 Q CB 1.496 30.348 28.738 0.189 0.000 1.215 267 Q HN 0.418 nan 8.270 nan 0.000 0.437 268 V N 5.016 124.943 119.914 0.021 0.000 2.443 268 V HA 0.561 4.681 4.120 -0.000 0.000 0.293 268 V C -0.181 175.884 176.094 -0.049 0.000 1.021 268 V CA -0.540 61.754 62.300 -0.011 0.000 0.848 268 V CB 1.528 33.343 31.823 -0.013 0.000 0.998 268 V HN 0.613 nan 8.190 nan 0.000 0.424 269 I N 5.564 126.085 120.570 -0.082 0.000 2.582 269 I HA 0.550 4.720 4.170 -0.000 0.000 0.292 269 I C -1.164 174.888 176.117 -0.108 0.000 1.066 269 I CA -0.829 60.395 61.300 -0.126 0.000 1.053 269 I CB 2.317 40.164 38.000 -0.255 0.000 1.241 269 I HN 0.444 nan 8.210 nan 0.000 0.421 270 L N 7.389 128.555 121.223 -0.096 0.000 2.362 270 L HA 0.688 5.028 4.340 -0.000 0.000 0.275 270 L C -1.637 175.171 176.870 -0.102 0.000 0.998 270 L CA -0.238 54.551 54.840 -0.085 0.000 0.820 270 L CB 1.581 43.604 42.059 -0.060 0.000 1.270 270 L HN 0.454 nan 8.230 nan 0.000 0.415 271 L N 4.539 125.696 121.223 -0.110 0.000 2.381 271 L HA 0.748 5.088 4.340 -0.000 0.000 0.274 271 L C -0.460 176.352 176.870 -0.097 0.000 0.988 271 L CA -0.434 54.325 54.840 -0.135 0.000 0.824 271 L CB 2.051 43.999 42.059 -0.185 0.000 1.263 271 L HN 0.724 nan 8.230 nan 0.000 0.410 272 T N 2.167 116.671 114.554 -0.083 0.000 3.012 272 T HA 0.441 4.791 4.350 -0.000 0.000 0.330 272 T C -2.585 172.088 174.700 -0.046 0.000 1.321 272 T CA -1.000 61.065 62.100 -0.059 0.000 1.067 272 T CB 2.314 71.154 68.868 -0.045 0.000 1.235 272 T HN 0.247 nan 8.240 nan 0.000 0.479 273 P HA 0.353 nan 4.420 nan 0.000 0.249 273 P C -0.521 176.772 177.300 -0.012 0.000 1.229 273 P CA 0.005 63.091 63.100 -0.022 0.000 0.788 273 P CB 0.265 31.952 31.700 -0.021 0.000 1.072 274 A N 0.019 122.829 122.820 -0.016 0.000 2.293 274 A HA 0.638 4.958 4.320 -0.000 0.000 0.312 274 A C 1.414 178.991 177.584 -0.011 0.000 1.309 274 A CA -0.241 51.788 52.037 -0.012 0.000 0.839 274 A CB 0.785 19.774 19.000 -0.018 0.000 1.155 274 A HN 0.048 nan 8.150 nan 0.000 0.501 275 A N 2.335 125.153 122.820 -0.004 0.000 1.940 275 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 275 A C 1.179 178.758 177.584 -0.008 0.000 1.176 275 A CA 1.839 53.875 52.037 -0.001 0.000 0.631 275 A CB -0.685 18.318 19.000 0.004 0.000 0.814 275 A HN 0.883 nan 8.150 nan 0.000 0.446 279 R N 0.570 121.060 120.500 -0.016 0.000 2.081 279 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 279 R C 2.144 178.432 176.300 -0.020 0.000 1.131 279 R CA 1.826 57.917 56.100 -0.015 0.000 0.960 279 R CB -0.202 30.091 30.300 -0.012 0.000 0.856 279 R HN 0.522 nan 8.270 nan 0.000 0.436 280 R N -0.350 120.135 120.500 -0.026 0.000 2.115 280 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 280 R C 2.236 178.516 176.300 -0.034 0.000 1.111 280 R CA 1.239 57.320 56.100 -0.032 0.000 0.976 280 R CB -0.109 30.166 30.300 -0.041 0.000 0.870 280 R HN 0.096 nan 8.270 nan 0.000 0.445 281 V N 0.750 120.644 119.914 -0.034 0.000 2.358 281 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 281 V C 2.361 178.440 176.094 -0.025 0.000 1.047 281 V CA 1.888 64.169 62.300 -0.033 0.000 1.035 281 V CB -0.592 31.210 31.823 -0.034 0.000 0.658 281 V HN 0.400 nan 8.190 nan 0.000 0.452 282 A N -0.317 122.490 122.820 -0.022 0.000 1.908 282 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 282 A C 2.160 179.735 177.584 -0.016 0.000 1.181 282 A CA 2.089 54.116 52.037 -0.017 0.000 0.627 282 A CB -0.470 18.523 19.000 -0.013 0.000 0.818 282 A HN 0.620 nan 8.150 nan 0.000 0.445 283 E N -0.440 119.750 120.200 -0.017 0.000 2.072 283 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 283 E C 2.305 178.896 176.600 -0.016 0.000 0.985 283 E CA 0.986 57.376 56.400 -0.015 0.000 0.801 283 E CB -0.276 29.413 29.700 -0.017 0.000 0.750 283 E HN 0.615 nan 8.360 nan 0.000 0.452 284 A N 0.646 123.455 122.820 -0.019 0.000 1.972 284 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 284 A C 2.427 180.004 177.584 -0.012 0.000 1.169 284 A CA 1.019 53.046 52.037 -0.017 0.000 0.635 284 A CB -0.515 18.472 19.000 -0.022 0.000 0.810 284 A HN 0.123 nan 8.150 nan 0.000 0.446 285 V N -0.075 119.830 119.914 -0.015 0.000 2.295 285 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 285 V C 2.414 178.501 176.094 -0.011 0.000 1.049 285 V CA 2.341 64.632 62.300 -0.014 0.000 1.024 285 V CB -0.812 31.001 31.823 -0.017 0.000 0.648 285 V HN 0.651 nan 8.190 nan 0.000 0.447 286 E N -0.157 120.037 120.200 -0.011 0.000 2.049 286 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 286 E C 2.483 179.079 176.600 -0.007 0.000 1.007 286 E CA 1.609 58.004 56.400 -0.008 0.000 0.809 286 E CB -0.216 29.479 29.700 -0.008 0.000 0.749 286 E HN 0.515 nan 8.360 nan 0.000 0.450 287 R N 0.544 121.040 120.500 -0.007 0.000 2.083 287 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 287 R C 2.500 178.798 176.300 -0.003 0.000 1.137 287 R CA 1.566 57.663 56.100 -0.004 0.000 0.951 287 R CB -0.312 29.986 30.300 -0.004 0.000 0.851 287 R HN 0.264 nan 8.270 nan 0.000 0.434 288 Q N 0.383 120.181 119.800 -0.003 0.000 2.124 288 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 288 Q C 2.163 178.159 176.000 -0.006 0.000 0.977 288 Q CA 1.015 56.816 55.803 -0.002 0.000 0.850 288 Q CB -0.149 28.588 28.738 -0.002 0.000 0.901 288 Q HN 0.151 nan 8.270 nan 0.000 0.429 289 L N 0.785 122.003 121.223 -0.008 0.000 2.042 289 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 289 L C 2.099 178.965 176.870 -0.007 0.000 1.076 289 L CA 2.121 56.955 54.840 -0.010 0.000 0.749 289 L CB -0.811 41.243 42.059 -0.010 0.000 0.893 289 L HN 0.139 nan 8.230 nan 0.000 0.432 290 A N -1.300 121.517 122.820 -0.005 0.000 2.125 290 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 290 A C 2.019 179.602 177.584 -0.002 0.000 1.156 290 A CA 1.670 53.706 52.037 -0.003 0.000 0.671 290 A CB -0.503 18.496 19.000 -0.002 0.000 0.794 290 A HN 0.673 nan 8.150 nan 0.000 0.459 291 E N -0.812 119.386 120.200 -0.002 0.000 2.472 291 E HA 0.193 4.543 4.350 -0.000 0.000 0.196 291 E C -0.451 176.147 176.600 -0.003 0.000 1.033 291 E CA -0.291 56.108 56.400 -0.001 0.000 0.886 291 E CB 0.143 29.843 29.700 0.000 0.000 0.944 291 E HN 0.527 nan 8.360 nan 0.000 0.492 292 L N 3.668 124.887 121.223 -0.006 0.000 2.319 292 L HA 0.116 4.456 4.340 -0.000 0.000 0.280 292 L C -1.046 175.821 176.870 -0.006 0.000 1.099 292 L CA -1.434 53.401 54.840 -0.009 0.000 0.828 292 L CB 0.421 42.471 42.059 -0.015 0.000 1.150 292 L HN -0.056 nan 8.230 nan 0.000 0.442 293 P HA -0.172 nan 4.420 nan 0.000 0.202 293 P C 0.049 177.349 177.300 0.000 0.000 1.171 293 P CA 1.080 64.180 63.100 -0.001 0.000 0.925 293 P CB 0.021 31.721 31.700 0.000 0.000 0.760 294 R N 0.749 121.249 120.500 0.000 0.000 3.710 294 R HA 0.474 4.814 4.340 -0.000 0.000 0.201 294 R C 0.055 176.354 176.300 -0.002 0.000 1.641 294 R CA -0.172 55.930 56.100 0.003 0.000 1.390 294 R CB -0.966 29.338 30.300 0.007 0.000 1.341 294 R HN 0.106 nan 8.270 nan 0.000 0.728 295 A N 1.716 124.535 122.820 -0.003 0.000 3.106 295 A HA 0.285 4.605 4.320 -0.000 0.000 0.306 295 A C 0.361 177.944 177.584 -0.003 0.000 1.192 295 A CA -0.615 51.419 52.037 -0.007 0.000 0.994 295 A CB 0.215 19.209 19.000 -0.009 0.000 1.107 295 A HN 0.477 nan 8.150 nan 0.000 0.585 296 E N -0.679 119.522 120.200 0.002 0.000 2.166 296 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 296 E C 2.158 178.760 176.600 0.005 0.000 0.967 296 E CA 1.436 57.839 56.400 0.004 0.000 0.840 296 E CB -0.112 29.593 29.700 0.008 0.000 0.795 296 E HN 0.653 nan 8.360 nan 0.000 0.470 297 T N -0.547 114.010 114.554 0.006 0.000 2.821 297 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 297 T C 2.133 176.834 174.700 0.003 0.000 1.046 297 T CA 0.964 63.069 62.100 0.008 0.000 1.139 297 T CB -0.359 68.517 68.868 0.013 0.000 0.871 297 T HN 0.130 nan 8.240 nan 0.000 0.454 298 A N 1.997 124.813 122.820 -0.005 0.000 1.883 298 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 298 A C 2.529 180.109 177.584 -0.007 0.000 1.186 298 A CA 1.787 53.817 52.037 -0.012 0.000 0.624 298 A CB -0.811 18.176 19.000 -0.022 0.000 0.822 298 A HN 0.517 nan 8.150 nan 0.000 0.444 299 R N -1.098 119.399 120.500 -0.005 0.000 2.075 299 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 299 R C 2.415 178.715 176.300 0.000 0.000 1.126 299 R CA 1.737 57.835 56.100 -0.003 0.000 0.963 299 R CB -0.217 30.082 30.300 -0.002 0.000 0.858 299 R HN 0.548 nan 8.270 nan 0.000 0.435 300 Q N 0.291 120.092 119.800 0.002 0.000 2.124 300 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 300 Q C 1.687 177.691 176.000 0.006 0.000 0.977 300 Q CA 2.050 57.856 55.803 0.005 0.000 0.850 300 Q CB -0.218 28.524 28.738 0.007 0.000 0.901 300 Q HN 0.411 nan 8.270 nan 0.000 0.429 301 A N 0.028 122.851 122.820 0.006 0.000 1.898 301 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 301 A C 2.044 179.632 177.584 0.006 0.000 1.181 301 A CA 1.205 53.247 52.037 0.008 0.000 0.620 301 A CB -0.708 18.298 19.000 0.010 0.000 0.819 301 A HN 0.445 nan 8.150 nan 0.000 0.442 302 L N 0.215 121.439 121.223 0.001 0.000 2.353 302 L HA -0.174 4.166 4.340 -0.000 0.000 0.220 302 L C 1.742 178.612 176.870 0.001 0.000 1.133 302 L CA 0.595 55.434 54.840 -0.002 0.000 0.798 302 L CB -0.625 41.431 42.059 -0.006 0.000 0.922 302 L HN 0.375 nan 8.230 nan 0.000 0.445 303 N N 0.389 119.091 118.700 0.004 0.000 2.443 303 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 303 N C 1.483 176.998 175.510 0.009 0.000 1.037 303 N CA 1.294 54.347 53.050 0.006 0.000 0.896 303 N CB 0.103 38.593 38.487 0.006 0.000 0.959 303 N HN 0.335 nan 8.380 nan 0.000 0.442 304 A N 0.063 122.890 122.820 0.012 0.000 2.390 304 A HA 0.162 4.482 4.320 -0.000 0.000 0.232 304 A C 0.975 178.568 177.584 0.015 0.000 1.233 304 A CA -0.310 51.738 52.037 0.018 0.000 0.907 304 A CB -0.041 18.974 19.000 0.025 0.000 0.967 304 A HN 0.242 nan 8.150 nan 0.000 0.512 305 S N -0.091 115.613 115.700 0.006 0.000 2.596 305 S HA 0.563 5.033 4.470 -0.000 0.000 0.260 305 S C -0.053 174.543 174.600 -0.005 0.000 1.336 305 S CA -0.166 58.031 58.200 -0.004 0.000 0.993 305 S CB 0.668 63.862 63.200 -0.010 0.000 0.923 305 S HN 0.391 nan 8.310 nan 0.000 0.567 306 R N 0.146 120.634 120.500 -0.020 0.000 2.515 306 R HA 0.471 4.811 4.340 -0.000 0.000 0.291 306 R C -1.403 174.883 176.300 -0.023 0.000 1.046 306 R CA -0.241 55.852 56.100 -0.012 0.000 0.914 306 R CB 1.556 31.850 30.300 -0.010 0.000 1.191 306 R HN 0.628 nan 8.270 nan 0.000 0.435 307 L N 5.440 126.659 121.223 -0.006 0.000 2.301 307 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 307 L C -0.541 176.334 176.870 0.008 0.000 1.022 307 L CA -0.398 54.434 54.840 -0.012 0.000 0.854 307 L CB 0.783 42.837 42.059 -0.009 0.000 1.226 307 L HN 0.495 nan 8.230 nan 0.000 0.429 308 I N 3.210 123.777 120.570 -0.006 0.000 2.377 308 I HA 0.344 4.514 4.170 -0.000 0.000 0.293 308 I C -0.211 175.907 176.117 0.001 0.000 0.987 308 I CA -0.817 60.500 61.300 0.028 0.000 1.185 308 I CB 2.396 40.400 38.000 0.007 0.000 1.341 308 I HN 0.160 nan 8.210 nan 0.000 0.455 309 V N 5.320 125.264 119.914 0.051 0.000 2.370 309 V HA 0.312 4.432 4.120 -0.000 0.000 0.279 309 V C 0.517 176.647 176.094 0.060 0.000 1.029 309 V CA -0.405 61.914 62.300 0.033 0.000 0.870 309 V CB 1.445 33.292 31.823 0.041 0.000 0.984 309 V HN 0.897 nan 8.190 nan 0.000 0.451 310 T N 1.657 116.206 114.554 -0.008 0.000 2.923 310 T HA 0.397 4.746 4.350 -0.000 0.000 0.281 310 T C 1.007 175.722 174.700 0.025 0.000 0.995 310 T CA -0.484 61.606 62.100 -0.016 0.000 0.985 310 T CB 1.488 70.271 68.868 -0.142 0.000 1.114 310 T HN 0.696 nan 8.240 nan 0.000 0.548 311 K N 0.086 120.513 120.400 0.045 0.000 2.167 311 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 311 K C -0.112 176.497 176.600 0.014 0.000 1.052 311 K CA 0.869 57.181 56.287 0.042 0.000 0.956 311 K CB -0.268 32.268 32.500 0.061 0.000 0.735 311 K HN 0.810 nan 8.250 nan 0.000 0.451 312 D N -1.524 118.874 120.400 -0.004 0.000 2.692 312 D HA 0.048 4.688 4.640 -0.000 0.000 0.303 312 D C 0.479 176.761 176.300 -0.030 0.000 1.278 312 D CA -0.818 53.175 54.000 -0.011 0.000 0.852 312 D CB 0.340 41.139 40.800 -0.002 0.000 1.375 312 D HN -0.091 nan 8.370 nan 0.000 0.453 313 L N -0.111 121.097 121.223 -0.024 0.000 2.083 313 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 313 L C 2.301 179.150 176.870 -0.035 0.000 1.083 313 L CA 1.851 56.672 54.840 -0.031 0.000 0.752 313 L CB -0.476 41.571 42.059 -0.019 0.000 0.899 313 L HN 0.684 nan 8.230 nan 0.000 0.433 314 A N -0.854 121.952 122.820 -0.023 0.000 1.933 314 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 314 A C 2.162 179.724 177.584 -0.036 0.000 1.175 314 A CA 1.852 53.877 52.037 -0.021 0.000 0.628 314 A CB -0.552 18.444 19.000 -0.007 0.000 0.814 314 A HN 0.554 nan 8.150 nan 0.000 0.444 315 Q N -0.939 118.833 119.800 -0.047 0.000 2.224 315 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 315 Q C 2.048 177.952 176.000 -0.160 0.000 0.970 315 Q CA 1.665 57.419 55.803 -0.082 0.000 0.865 315 Q CB -0.385 28.312 28.738 -0.069 0.000 0.922 315 Q HN 0.734 nan 8.270 nan 0.000 0.445 316 C N -0.858 118.357 119.300 -0.141 0.000 2.432 316 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 316 C C 2.548 177.464 174.990 -0.123 0.000 1.249 316 C CA 0.600 59.520 59.018 -0.163 0.000 1.725 316 C CB -0.862 26.809 27.740 -0.113 0.000 2.028 316 C HN 0.399 nan 8.230 nan 0.000 0.477 317 V N 1.077 120.947 119.914 -0.073 0.000 2.407 317 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 317 V C 2.339 178.409 176.094 -0.041 0.000 1.055 317 V CA 2.021 64.295 62.300 -0.042 0.000 1.049 317 V CB -0.814 30.997 31.823 -0.021 0.000 0.662 317 V HN 0.623 nan 8.190 nan 0.000 0.455 318 E N 0.027 120.196 120.200 -0.050 0.000 2.077 318 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 318 E C 2.185 178.759 176.600 -0.044 0.000 0.989 318 E CA 1.578 57.959 56.400 -0.031 0.000 0.800 318 E CB -0.217 29.472 29.700 -0.018 0.000 0.746 318 E HN 0.564 nan 8.360 nan 0.000 0.452 319 I N 0.671 121.163 120.570 -0.130 0.000 2.252 319 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 319 I C 2.699 178.772 176.117 -0.073 0.000 1.102 319 I CA 0.714 61.907 61.300 -0.178 0.000 1.385 319 I CB -0.264 37.449 38.000 -0.479 0.000 1.064 319 I HN 0.059 nan 8.210 nan 0.000 0.414 320 S N 1.158 116.816 115.700 -0.069 0.000 2.359 320 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 320 S C 1.912 176.553 174.600 0.069 0.000 1.035 320 S CA 1.796 60.002 58.200 0.010 0.000 1.018 320 S CB -0.306 62.892 63.200 -0.004 0.000 0.876 320 S HN 0.400 nan 8.310 nan 0.000 0.448 321 N N 1.031 119.752 118.700 0.035 0.000 2.166 321 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 321 N C 1.836 177.375 175.510 0.048 0.000 1.019 321 N CA 1.323 54.397 53.050 0.039 0.000 0.856 321 N CB -0.694 37.806 38.487 0.022 0.000 0.993 321 N HN 0.522 nan 8.380 nan 0.000 0.426 322 Q N 0.123 119.959 119.800 0.060 0.000 2.079 322 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 322 Q C 1.939 177.995 176.000 0.094 0.000 0.974 322 Q CA 1.367 57.212 55.803 0.070 0.000 0.840 322 Q CB -0.647 28.146 28.738 0.091 0.000 0.898 322 Q HN 0.526 nan 8.270 nan 0.000 0.430 323 Y N -0.269 120.027 120.300 -0.006 0.000 2.163 323 Y HA 0.043 4.593 4.550 -0.000 0.000 0.288 323 Y C 1.049 176.946 175.900 -0.006 0.000 1.136 323 Y CA 1.554 59.652 58.100 -0.003 0.000 1.147 323 Y CB -0.116 38.342 38.460 -0.004 0.000 0.987 323 Y HN 0.301 nan 8.280 nan 0.000 0.509 324 G N 2.050 110.899 108.800 0.082 0.000 2.370 324 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.295 324 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.295 324 G C -2.556 172.330 174.900 -0.022 0.000 1.045 324 G CA -0.064 45.036 45.100 -0.000 0.000 1.199 324 G HN 0.410 nan 8.290 nan 0.000 0.513 325 P HA 0.150 nan 4.420 nan 0.000 0.275 325 P C 0.928 178.296 177.300 0.114 0.000 1.228 325 P CA -0.186 63.058 63.100 0.240 0.000 0.786 325 P CB 1.391 33.322 31.700 0.385 0.000 0.927 326 E N 2.055 122.305 120.200 0.084 0.000 2.038 326 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 326 E C -0.246 176.277 176.600 -0.127 0.000 1.000 326 E CA 1.303 57.670 56.400 -0.055 0.000 0.803 326 E CB -0.105 29.537 29.700 -0.096 0.000 0.750 326 E HN 0.620 nan 8.360 nan 0.000 0.448 327 H N -0.725 118.429 119.070 0.141 0.000 2.505 327 H HA 0.416 4.972 4.556 -0.000 0.000 0.338 327 H C -1.140 174.271 175.328 0.139 0.000 1.057 327 H CA -0.806 55.344 56.048 0.170 0.000 1.202 327 H CB 1.768 31.558 29.762 0.045 0.000 1.466 327 H HN 0.047 nan 8.280 nan 0.000 0.499 328 L N 4.428 125.835 121.223 0.307 0.000 2.325 328 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 328 L C -1.435 175.574 176.870 0.231 0.000 1.004 328 L CA -0.319 54.642 54.840 0.201 0.000 0.823 328 L CB 0.616 42.768 42.059 0.155 0.000 1.236 328 L HN 0.646 nan 8.230 nan 0.000 0.415 329 I N 6.522 127.161 120.570 0.115 0.000 2.362 329 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 329 I C -0.550 175.604 176.117 0.060 0.000 0.994 329 I CA -0.424 60.934 61.300 0.096 0.000 1.158 329 I CB 1.652 39.625 38.000 -0.044 0.000 1.315 329 I HN 0.526 nan 8.210 nan 0.000 0.451 330 I N 6.549 127.165 120.570 0.077 0.000 2.347 330 I HA 0.223 4.393 4.170 -0.000 0.000 0.283 330 I C -0.019 176.112 176.117 0.023 0.000 1.058 330 I CA -0.264 61.060 61.300 0.040 0.000 1.202 330 I CB 0.679 38.706 38.000 0.044 0.000 1.386 330 I HN 0.554 nan 8.210 nan 0.000 0.475 331 Q N 5.350 125.149 119.800 -0.001 0.000 3.091 331 Q HA 0.201 4.541 4.340 -0.000 0.000 0.301 331 Q C 0.049 176.039 176.000 -0.017 0.000 1.337 331 Q CA -0.311 55.482 55.803 -0.017 0.000 1.083 331 Q CB 0.631 29.352 28.738 -0.028 0.000 1.477 331 Q HN 0.723 nan 8.270 nan 0.000 0.537 332 T N -3.714 110.838 114.554 -0.004 0.000 2.926 332 T HA 0.451 4.801 4.350 -0.000 0.000 0.289 332 T C 0.699 175.406 174.700 0.012 0.000 1.054 332 T CA -0.922 61.178 62.100 -0.001 0.000 1.015 332 T CB 1.660 70.529 68.868 0.001 0.000 1.167 332 T HN 0.132 nan 8.240 nan 0.000 0.526 333 R N 0.916 121.425 120.500 0.014 0.000 2.236 333 R HA 0.165 4.505 4.340 -0.000 0.000 0.208 333 R C 0.959 177.279 176.300 0.034 0.000 1.036 333 R CA 0.785 56.901 56.100 0.028 0.000 1.001 333 R CB -0.146 30.169 30.300 0.024 0.000 0.896 333 R HN 0.774 nan 8.270 nan 0.000 0.464 334 N N -1.263 117.453 118.700 0.026 0.000 2.571 334 N HA 0.161 4.901 4.740 -0.000 0.000 0.298 334 N C 0.460 175.986 175.510 0.026 0.000 1.671 334 N CA 0.380 53.446 53.050 0.027 0.000 0.900 334 N CB 0.543 39.043 38.487 0.021 0.000 1.365 334 N HN -0.019 nan 8.380 nan 0.000 0.493 335 A N 1.783 124.621 122.820 0.031 0.000 1.896 335 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 335 A C 2.293 179.895 177.584 0.030 0.000 1.206 335 A CA 2.155 54.210 52.037 0.031 0.000 0.647 335 A CB -0.621 18.402 19.000 0.039 0.000 0.828 335 A HN 0.450 nan 8.150 nan 0.000 0.455 336 R N 0.194 120.714 120.500 0.032 0.000 2.112 336 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 336 R C 1.803 178.116 176.300 0.022 0.000 1.137 336 R CA 2.461 58.577 56.100 0.027 0.000 0.944 336 R CB -0.837 29.480 30.300 0.029 0.000 0.857 336 R HN 0.611 nan 8.270 nan 0.000 0.435 337 E N 0.066 120.279 120.200 0.021 0.000 2.171 337 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 337 E C 1.874 178.483 176.600 0.015 0.000 0.997 337 E CA 1.533 57.944 56.400 0.017 0.000 0.810 337 E CB -0.192 29.518 29.700 0.016 0.000 0.738 337 E HN 0.385 nan 8.360 nan 0.000 0.467 338 L N -0.173 121.060 121.223 0.016 0.000 2.291 338 L HA -0.096 4.244 4.340 -0.000 0.000 0.214 338 L C 2.060 178.939 176.870 0.016 0.000 1.120 338 L CA 0.226 55.074 54.840 0.014 0.000 0.799 338 L CB -0.243 41.823 42.059 0.013 0.000 0.925 338 L HN 0.081 nan 8.230 nan 0.000 0.446 339 V N 0.009 119.933 119.914 0.018 0.000 2.317 339 V HA -0.348 3.772 4.120 -0.000 0.000 0.251 339 V C 2.072 178.175 176.094 0.016 0.000 1.065 339 V CA 2.032 64.343 62.300 0.018 0.000 1.049 339 V CB -0.506 31.326 31.823 0.016 0.000 0.651 339 V HN 0.453 nan 8.190 nan 0.000 0.450 340 D N 0.274 120.682 120.400 0.014 0.000 2.178 340 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 340 D C 2.308 178.616 176.300 0.012 0.000 0.980 340 D CA 1.675 55.682 54.000 0.013 0.000 0.842 340 D CB -0.170 40.637 40.800 0.012 0.000 0.948 340 D HN 0.644 nan 8.370 nan 0.000 0.472 341 S N -0.410 115.297 115.700 0.012 0.000 2.603 341 S HA 0.034 4.504 4.470 -0.000 0.000 0.220 341 S C 0.836 175.443 174.600 0.012 0.000 0.967 341 S CA -0.257 57.950 58.200 0.011 0.000 0.920 341 S CB 0.172 63.377 63.200 0.008 0.000 0.773 341 S HN -0.006 nan 8.310 nan 0.000 0.529 342 I N 4.183 124.763 120.570 0.016 0.000 2.322 342 I HA 0.176 4.346 4.170 -0.000 0.000 0.292 342 I C 1.493 177.622 176.117 0.020 0.000 1.060 342 I CA 0.061 61.373 61.300 0.021 0.000 1.309 342 I CB 0.308 38.325 38.000 0.027 0.000 1.415 342 I HN 0.375 nan 8.210 nan 0.000 0.492 343 T N 0.716 115.282 114.554 0.019 0.000 3.014 343 T HA 0.107 4.457 4.350 -0.000 0.000 0.250 343 T C 0.743 175.453 174.700 0.018 0.000 1.060 343 T CA -0.132 61.978 62.100 0.017 0.000 1.040 343 T CB 0.329 69.205 68.868 0.013 0.000 0.971 343 T HN 0.419 nan 8.240 nan 0.000 0.497 344 S N 0.116 115.830 115.700 0.023 0.000 2.706 344 S HA 0.716 5.186 4.470 -0.000 0.000 0.270 344 S C -1.241 173.380 174.600 0.036 0.000 1.163 344 S CA -0.114 58.100 58.200 0.023 0.000 1.042 344 S CB 0.742 63.948 63.200 0.011 0.000 1.079 344 S HN 0.943 nan 8.310 nan 0.000 0.474 345 A N 2.915 125.758 122.820 0.038 0.000 2.599 345 A HA 0.728 5.048 4.320 -0.000 0.000 0.294 345 A C 0.663 178.272 177.584 0.042 0.000 1.055 345 A CA -0.213 51.856 52.037 0.054 0.000 0.683 345 A CB 0.270 19.315 19.000 0.075 0.000 1.278 345 A HN 1.028 nan 8.150 nan 0.000 0.412 346 G N -0.070 108.751 108.800 0.035 0.000 2.456 346 G HA2 0.377 4.337 3.960 -0.000 0.000 0.213 346 G HA3 0.377 4.337 3.960 -0.000 0.000 0.213 346 G C 0.696 175.614 174.900 0.031 0.000 1.215 346 G CA 1.351 46.460 45.100 0.014 0.000 0.805 346 G HN 1.529 nan 8.290 nan 0.000 0.537 347 S N -1.111 114.628 115.700 0.066 0.000 2.547 347 S HA 0.568 5.038 4.470 -0.000 0.000 0.281 347 S C -1.061 173.637 174.600 0.164 0.000 1.118 347 S CA -0.637 57.605 58.200 0.071 0.000 0.947 347 S CB 1.802 65.066 63.200 0.106 0.000 1.053 347 S HN 0.151 nan 8.310 nan 0.000 0.482 348 V N 4.815 124.735 119.914 0.009 0.000 2.547 348 V HA 0.645 4.765 4.120 -0.000 0.000 0.299 348 V C -1.149 174.902 176.094 -0.072 0.000 1.040 348 V CA -0.556 61.803 62.300 0.099 0.000 0.913 348 V CB 1.161 33.011 31.823 0.045 0.000 0.992 348 V HN 0.801 nan 8.190 nan 0.000 0.449 349 F N 4.184 124.153 119.950 0.032 0.000 2.477 349 F HA 0.652 5.179 4.527 -0.000 0.000 0.335 349 F C -0.136 175.669 175.800 0.009 0.000 1.130 349 F CA -0.709 57.301 58.000 0.018 0.000 0.948 349 F CB 1.478 40.488 39.000 0.016 0.000 1.154 349 F HN 0.165 nan 8.300 nan 0.000 0.439 350 L N 3.013 124.311 121.223 0.127 0.000 2.317 350 L HA 0.876 5.216 4.340 -0.000 0.000 0.281 350 L C 0.573 177.493 176.870 0.083 0.000 1.024 350 L CA -0.686 54.206 54.840 0.087 0.000 0.810 350 L CB 1.342 43.433 42.059 0.052 0.000 1.240 350 L HN 0.860 nan 8.230 nan 0.000 0.427 351 G N 2.115 110.948 108.800 0.055 0.000 2.796 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.571 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.571 351 G C -0.076 174.767 174.900 -0.094 0.000 1.370 351 G CA -0.256 44.859 45.100 0.024 0.000 0.856 351 G HN 0.713 nan 8.290 nan 0.000 0.538 352 D N -0.353 119.862 120.400 -0.308 0.000 2.355 352 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 352 D C 1.313 176.997 176.300 -1.026 0.000 1.004 352 D CA 1.152 54.768 54.000 -0.640 0.000 0.880 352 D CB 0.011 40.338 40.800 -0.788 0.000 0.911 352 D HN 0.522 nan 8.370 nan 0.000 0.528 353 W N 0.591 121.890 121.300 -0.003 0.000 2.966 353 W HA 0.250 4.910 4.660 -0.000 0.000 0.406 353 W C 0.262 176.768 176.519 -0.023 0.000 1.027 353 W CA -0.369 56.938 57.345 -0.062 0.000 1.930 353 W CB 0.160 29.603 29.460 -0.029 0.000 1.144 353 W HN -0.286 nan 8.180 nan 0.000 0.626 354 S N 2.907 118.657 115.700 0.084 0.000 2.222 354 S HA 0.215 4.685 4.470 -0.000 0.000 0.173 354 S C -2.208 172.489 174.600 0.162 0.000 1.466 354 S CA -0.918 57.383 58.200 0.168 0.000 1.184 354 S CB -0.047 63.277 63.200 0.206 0.000 1.168 354 S HN -0.099 nan 8.310 nan 0.000 0.475 355 P HA 0.051 nan 4.420 nan 0.000 0.269 355 P C 0.846 178.094 177.300 -0.087 0.000 1.215 355 P CA -0.124 62.937 63.100 -0.065 0.000 0.780 355 P CB 0.988 32.640 31.700 -0.080 0.000 0.898 356 E N 1.996 121.967 120.200 -0.381 0.000 2.070 356 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 356 E C 1.743 178.247 176.600 -0.160 0.000 1.004 356 E CA 2.261 58.270 56.400 -0.653 0.000 0.805 356 E CB -0.320 28.996 29.700 -0.640 0.000 0.744 356 E HN 0.524 nan 8.360 nan 0.000 0.451 357 S N 0.291 115.949 115.700 -0.071 0.000 2.420 357 S HA -0.163 4.307 4.470 -0.000 0.000 0.237 357 S C 2.081 176.804 174.600 0.205 0.000 1.023 357 S CA 1.013 59.260 58.200 0.079 0.000 0.991 357 S CB -0.354 62.926 63.200 0.133 0.000 0.792 357 S HN 0.443 nan 8.310 nan 0.000 0.488 358 A N 1.988 124.923 122.820 0.191 0.000 1.873 358 A HA 0.274 4.594 4.320 -0.000 0.000 0.215 358 A C 2.405 180.133 177.584 0.239 0.000 1.186 358 A CA 1.365 53.532 52.037 0.217 0.000 0.616 358 A CB -1.620 17.495 19.000 0.192 0.000 0.823 358 A HN 0.628 nan 8.150 nan 0.000 0.442 359 G N -0.457 108.568 108.800 0.376 0.000 2.421 359 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 359 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 359 G C 1.065 176.106 174.900 0.234 0.000 1.143 359 G CA 1.081 46.378 45.100 0.328 0.000 0.784 359 G HN 0.435 nan 8.290 nan 0.000 0.541 360 D N -0.407 120.078 120.400 0.142 0.000 2.178 360 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 360 D C 1.682 177.891 176.300 -0.150 0.000 0.980 360 D CA 1.007 54.975 54.000 -0.054 0.000 0.842 360 D CB -0.018 40.498 40.800 -0.472 0.000 0.948 360 D HN 0.550 nan 8.370 nan 0.000 0.472 361 Y N -0.946 119.456 120.300 0.170 0.000 2.664 361 Y HA 0.406 4.956 4.550 -0.000 0.000 0.278 361 Y C 1.835 177.786 175.900 0.085 0.000 1.130 361 Y CA 0.301 58.469 58.100 0.114 0.000 1.260 361 Y CB 0.578 39.086 38.460 0.080 0.000 1.369 361 Y HN -0.077 nan 8.280 nan 0.000 0.499 362 A N -0.868 122.094 122.820 0.236 0.000 2.653 362 A HA 0.152 4.472 4.320 -0.000 0.000 0.248 362 A C 1.663 179.298 177.584 0.085 0.000 1.211 362 A CA 0.512 52.637 52.037 0.146 0.000 0.991 362 A CB -0.654 18.426 19.000 0.134 0.000 1.252 362 A HN 0.232 nan 8.150 nan 0.000 0.593 363 S N -0.816 114.922 115.700 0.063 0.000 2.382 363 S HA 0.245 4.715 4.470 -0.000 0.000 0.228 363 S C 1.697 176.267 174.600 -0.051 0.000 1.027 363 S CA 1.907 60.101 58.200 -0.010 0.000 0.991 363 S CB -0.250 62.912 63.200 -0.063 0.000 0.823 363 S HN 1.951 nan 8.310 nan 0.000 0.469 364 G N 0.415 109.202 108.800 -0.021 0.000 2.336 364 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.194 364 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.194 364 G C 0.335 175.260 174.900 0.042 0.000 0.999 364 G CA 0.152 45.270 45.100 0.030 0.000 0.669 364 G HN 1.139 nan 8.290 nan 0.000 0.482 365 T N -0.611 113.830 114.554 -0.188 0.000 2.726 365 T HA 0.481 4.831 4.350 -0.000 0.000 0.294 365 T C 0.186 175.001 174.700 0.191 0.000 1.013 365 T CA 0.059 62.063 62.100 -0.159 0.000 0.996 365 T CB 1.461 70.133 68.868 -0.327 0.000 1.016 365 T HN 0.251 nan 8.240 nan 0.000 0.529 366 N N 0.492 119.371 118.700 0.297 0.000 2.426 366 N HA 0.070 4.810 4.740 -0.000 0.000 0.275 366 N C 0.902 176.535 175.510 0.206 0.000 1.019 366 N CA -0.450 52.757 53.050 0.261 0.000 0.941 366 N CB 0.802 39.509 38.487 0.368 0.000 1.123 366 N HN 0.989 nan 8.380 nan 0.000 0.486 367 H N 1.118 120.271 119.070 0.137 0.000 2.533 367 H HA 0.186 4.742 4.556 -0.000 0.000 0.271 367 H C -0.420 174.966 175.328 0.097 0.000 1.000 367 H CA -0.295 55.826 56.048 0.122 0.000 1.149 367 H CB 0.356 30.157 29.762 0.065 0.000 1.375 367 H HN 0.024 nan 8.280 nan 0.000 0.582 368 V N 3.290 123.412 119.914 0.347 0.000 2.320 368 V HA 0.216 4.336 4.120 -0.000 0.000 0.265 368 V C -0.190 176.002 176.094 0.164 0.000 1.048 368 V CA -0.260 62.199 62.300 0.265 0.000 0.865 368 V CB 0.546 32.515 31.823 0.243 0.000 1.043 368 V HN 0.302 nan 8.190 nan 0.000 0.474 369 L N 6.749 128.030 121.223 0.097 0.000 2.333 369 L HA 0.688 5.028 4.340 -0.000 0.000 0.263 369 L C -2.329 174.557 176.870 0.026 0.000 1.014 369 L CA -2.030 52.835 54.840 0.040 0.000 0.820 369 L CB 2.536 44.568 42.059 -0.046 0.000 1.352 369 L HN 0.336 nan 8.230 nan 0.000 0.421 370 P HA 0.216 nan 4.420 nan 0.000 0.279 370 P C -0.784 176.564 177.300 0.080 0.000 1.239 370 P CA -0.012 63.129 63.100 0.068 0.000 0.789 370 P CB 2.043 33.788 31.700 0.074 0.000 0.933 371 T N 0.643 115.297 114.554 0.166 0.000 2.618 371 T HA 0.254 4.604 4.350 -0.000 0.000 0.286 371 T C -0.513 174.326 174.700 0.232 0.000 1.027 371 T CA -0.553 61.630 62.100 0.139 0.000 1.063 371 T CB -0.132 68.797 68.868 0.101 0.000 1.440 371 T HN 0.460 nan 8.240 nan 0.000 0.505 372 Y N 0.166 120.433 120.300 -0.055 0.000 3.721 372 Y HA -0.286 4.264 4.550 -0.000 0.000 0.218 372 Y C 1.099 176.766 175.900 -0.390 0.000 1.188 372 Y CA 1.024 59.023 58.100 -0.168 0.000 1.607 372 Y CB -1.180 37.241 38.460 -0.066 0.000 1.496 372 Y HN 1.354 nan 8.280 nan 0.000 0.626 373 G N -1.231 107.382 108.800 -0.312 0.000 2.217 373 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.246 373 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.246 373 G C 0.274 174.976 174.900 -0.330 0.000 0.990 373 G CA 0.343 45.193 45.100 -0.416 0.000 0.627 373 G HN 0.620 nan 8.290 nan 0.000 0.522 374 Y N 2.063 122.306 120.300 -0.095 0.000 2.680 374 Y HA 0.005 4.555 4.550 -0.000 0.000 0.303 374 Y C 2.986 178.854 175.900 -0.053 0.000 1.166 374 Y CA 1.634 59.694 58.100 -0.066 0.000 1.344 374 Y CB -0.184 38.255 38.460 -0.035 0.000 1.002 374 Y HN 0.463 nan 8.280 nan 0.000 0.537 375 T N -3.042 111.540 114.554 0.047 0.000 3.077 375 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 375 T C 2.046 176.752 174.700 0.010 0.000 1.146 375 T CA 0.678 62.793 62.100 0.025 0.000 1.091 375 T CB -0.268 68.597 68.868 -0.004 0.000 0.892 375 T HN 0.390 nan 8.240 nan 0.000 0.533 376 A N 2.103 124.918 122.820 -0.007 0.000 1.933 376 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 376 A C 2.559 180.148 177.584 0.009 0.000 1.175 376 A CA 1.934 53.962 52.037 -0.014 0.000 0.628 376 A CB -0.721 18.252 19.000 -0.044 0.000 0.814 376 A HN 0.720 nan 8.150 nan 0.000 0.444 377 T N -6.578 107.996 114.554 0.033 0.000 3.028 377 T HA 0.189 4.539 4.350 -0.000 0.000 0.262 377 T C 0.468 175.185 174.700 0.029 0.000 0.916 377 T CA 0.397 62.513 62.100 0.028 0.000 0.873 377 T CB -0.982 67.902 68.868 0.027 0.000 1.232 377 T HN 0.374 nan 8.240 nan 0.000 0.529 378 C N 2.351 121.680 119.300 0.049 0.000 2.422 378 C HA 0.840 5.300 4.460 -0.000 0.000 0.364 378 C C 0.296 175.304 174.990 0.029 0.000 1.251 378 C CA -0.066 58.969 59.018 0.028 0.000 2.441 378 C CB 0.813 28.566 27.740 0.023 0.000 2.393 378 C HN 0.648 nan 8.230 nan 0.000 0.606 379 S N 1.176 116.888 115.700 0.021 0.000 2.677 379 S HA 0.522 4.992 4.470 -0.000 0.000 0.304 379 S C -0.617 174.008 174.600 0.042 0.000 1.108 379 S CA -0.396 57.822 58.200 0.030 0.000 0.944 379 S CB 1.578 64.793 63.200 0.025 0.000 1.127 379 S HN 1.021 nan 8.310 nan 0.000 0.511 380 S N 0.560 116.292 115.700 0.054 0.000 2.566 380 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 380 S C -0.056 174.607 174.600 0.104 0.000 1.343 380 S CA -0.530 57.718 58.200 0.079 0.000 1.036 380 S CB -0.132 63.124 63.200 0.092 0.000 0.866 380 S HN 0.504 nan 8.310 nan 0.000 0.526 381 L N 4.087 125.400 121.223 0.150 0.000 2.453 381 L HA 0.588 4.928 4.340 -0.000 0.000 0.272 381 L C 0.668 177.690 176.870 0.252 0.000 1.182 381 L CA 1.446 56.413 54.840 0.212 0.000 0.858 381 L CB 0.115 42.336 42.059 0.269 0.000 1.120 381 L HN 0.861 nan 8.230 nan 0.000 0.474 382 G N 3.114 112.071 108.800 0.262 0.000 2.782 382 G HA2 0.292 4.252 3.960 -0.000 0.000 0.304 382 G HA3 0.292 4.252 3.960 -0.000 0.000 0.304 382 G C -0.233 174.854 174.900 0.312 0.000 1.315 382 G CA -0.234 44.984 45.100 0.196 0.000 0.791 382 G HN 0.665 nan 8.290 nan 0.000 0.519 383 L N 0.786 122.117 121.223 0.181 0.000 2.042 383 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 383 L C 3.051 180.058 176.870 0.228 0.000 1.076 383 L CA 3.218 58.171 54.840 0.188 0.000 0.749 383 L CB -0.724 41.362 42.059 0.044 0.000 0.893 383 L HN 0.715 nan 8.230 nan 0.000 0.432 384 A N -1.119 121.780 122.820 0.132 0.000 2.032 384 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 384 A C 1.919 179.577 177.584 0.124 0.000 1.165 384 A CA 1.994 54.092 52.037 0.102 0.000 0.645 384 A CB -0.815 18.213 19.000 0.047 0.000 0.807 384 A HN 0.632 nan 8.150 nan 0.000 0.453 385 D N -1.628 118.870 120.400 0.164 0.000 2.363 385 D HA 0.008 4.648 4.640 -0.000 0.000 0.220 385 D C -0.018 176.253 176.300 -0.049 0.000 0.994 385 D CA 0.710 54.739 54.000 0.047 0.000 0.890 385 D CB -0.043 40.777 40.800 0.033 0.000 0.906 385 D HN 0.561 nan 8.370 nan 0.000 0.530 386 F N 0.690 120.730 119.950 0.149 0.000 2.735 386 F HA 0.211 4.738 4.527 -0.000 0.000 0.304 386 F C 0.963 176.807 175.800 0.074 0.000 1.119 386 F CA -0.386 57.683 58.000 0.114 0.000 1.280 386 F CB 0.372 39.346 39.000 -0.043 0.000 0.994 386 F HN -0.156 nan 8.300 nan 0.000 0.520 387 Q N 0.182 120.097 119.800 0.191 0.000 2.814 387 Q HA 0.539 4.879 4.340 -0.000 0.000 0.322 387 Q C -1.558 174.487 176.000 0.075 0.000 0.861 387 Q CA -1.248 54.627 55.803 0.121 0.000 0.773 387 Q CB 2.489 31.289 28.738 0.103 0.000 1.423 387 Q HN -0.045 nan 8.270 nan 0.000 0.495 388 K N 0.454 120.886 120.400 0.053 0.000 2.532 388 K HA 0.577 4.897 4.320 -0.000 0.000 0.265 388 K C -1.307 175.309 176.600 0.026 0.000 0.948 388 K CA -0.706 55.601 56.287 0.033 0.000 0.842 388 K CB 2.670 35.185 32.500 0.026 0.000 1.392 388 K HN 0.781 nan 8.250 nan 0.000 0.436 392 V N 2.355 122.275 119.914 0.011 0.000 2.888 392 V HA 0.837 4.957 4.120 -0.000 0.000 0.309 392 V C -1.078 175.024 176.094 0.013 0.000 1.114 392 V CA -0.836 61.471 62.300 0.011 0.000 0.940 392 V CB 1.917 33.745 31.823 0.009 0.000 1.021 392 V HN 1.237 nan 8.190 nan 0.000 0.426 393 Q N 2.413 122.221 119.800 0.014 0.000 2.379 393 Q HA 0.769 5.109 4.340 -0.000 0.000 0.278 393 Q C -1.453 174.559 176.000 0.019 0.000 1.068 393 Q CA -0.844 54.971 55.803 0.019 0.000 0.816 393 Q CB 3.510 32.263 28.738 0.024 0.000 1.387 393 Q HN 0.807 nan 8.270 nan 0.000 0.413 394 E N 2.459 122.672 120.200 0.023 0.000 2.274 394 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 394 E C -1.817 174.805 176.600 0.036 0.000 0.891 394 E CA -0.620 55.794 56.400 0.023 0.000 0.784 394 E CB 1.515 31.224 29.700 0.014 0.000 1.225 394 E HN 0.555 nan 8.360 nan 0.000 0.412 395 L N 3.531 124.785 121.223 0.051 0.000 2.296 395 L HA 0.375 4.715 4.340 -0.000 0.000 0.286 395 L C 0.378 177.294 176.870 0.075 0.000 1.023 395 L CA -0.294 54.595 54.840 0.082 0.000 0.812 395 L CB 1.594 43.741 42.059 0.147 0.000 1.223 395 L HN 0.624 nan 8.230 nan 0.000 0.421 396 S N 2.162 117.904 115.700 0.069 0.000 2.617 396 S HA 0.243 4.713 4.470 -0.000 0.000 0.259 396 S C 1.085 175.742 174.600 0.095 0.000 1.301 396 S CA -0.449 57.785 58.200 0.057 0.000 0.984 396 S CB 0.673 63.900 63.200 0.045 0.000 0.954 396 S HN 0.601 nan 8.310 nan 0.000 0.572 397 K N 0.466 120.910 120.400 0.073 0.000 2.097 397 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 397 K C 2.114 178.803 176.600 0.149 0.000 1.049 397 K CA 1.795 58.146 56.287 0.108 0.000 0.933 397 K CB -0.284 32.252 32.500 0.061 0.000 0.717 397 K HN 0.591 nan 8.250 nan 0.000 0.442 398 E N 0.115 120.370 120.200 0.092 0.000 2.028 398 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 398 E C 2.119 178.758 176.600 0.065 0.000 0.988 398 E CA 1.391 57.832 56.400 0.068 0.000 0.799 398 E CB -0.591 29.134 29.700 0.041 0.000 0.755 398 E HN 0.414 nan 8.360 nan 0.000 0.447 399 G N 0.348 109.191 108.800 0.072 0.000 2.446 399 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 399 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 399 G C 1.544 176.479 174.900 0.059 0.000 1.168 399 G CA 0.886 46.020 45.100 0.056 0.000 0.771 399 G HN 0.309 nan 8.290 nan 0.000 0.551 400 F N 2.159 122.111 119.950 0.002 0.000 2.095 400 F HA -0.127 4.400 4.527 0.000 0.000 0.298 400 F C 2.899 178.701 175.800 0.003 0.000 1.104 400 F CA 2.071 60.073 58.000 0.003 0.000 1.232 400 F CB -0.327 38.673 39.000 0.002 0.000 0.987 400 F HN 0.156 nan 8.300 nan 0.000 0.475 401 S N 0.518 116.193 115.700 -0.041 0.000 2.383 401 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 401 S C 2.203 176.692 174.600 -0.186 0.000 1.030 401 S CA 1.072 59.194 58.200 -0.130 0.000 1.002 401 S CB -0.834 62.397 63.200 0.051 0.000 0.829 401 S HN 0.572 nan 8.310 nan 0.000 0.467 402 A N 0.177 122.925 122.820 -0.121 0.000 2.066 402 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 402 A C 1.908 179.411 177.584 -0.135 0.000 1.157 402 A CA 0.874 52.852 52.037 -0.097 0.000 0.670 402 A CB -0.226 18.744 19.000 -0.049 0.000 0.804 402 A HN 0.402 nan 8.150 nan 0.000 0.453 403 L N -1.621 119.477 121.223 -0.208 0.000 2.556 403 L HA 0.342 4.682 4.340 -0.000 0.000 0.226 403 L C 2.539 179.242 176.870 -0.279 0.000 1.089 403 L CA 1.040 55.761 54.840 -0.198 0.000 0.864 403 L CB -0.469 41.500 42.059 -0.149 0.000 1.067 403 L HN 0.311 nan 8.230 nan 0.000 0.477 404 A N -0.983 121.542 122.820 -0.491 0.000 1.896 404 A HA -0.344 3.976 4.320 -0.000 0.000 0.220 404 A C 2.545 180.001 177.584 -0.213 0.000 1.206 404 A CA 2.453 54.194 52.037 -0.494 0.000 0.647 404 A CB -1.147 17.495 19.000 -0.598 0.000 0.828 404 A HN 0.435 nan 8.150 nan 0.000 0.455 405 S N -1.514 114.092 115.700 -0.156 0.000 2.368 405 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 405 S C 2.081 176.641 174.600 -0.066 0.000 1.030 405 S CA 2.214 60.363 58.200 -0.085 0.000 0.999 405 S CB -0.688 62.471 63.200 -0.067 0.000 0.844 405 S HN 0.658 nan 8.310 nan 0.000 0.459 406 T N 2.583 117.092 114.554 -0.074 0.000 2.684 406 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 406 T C 1.712 176.389 174.700 -0.038 0.000 1.036 406 T CA 1.720 63.790 62.100 -0.051 0.000 1.148 406 T CB -0.426 68.411 68.868 -0.051 0.000 0.863 406 T HN 0.443 nan 8.240 nan 0.000 0.436 407 I N 0.901 121.441 120.570 -0.049 0.000 2.226 407 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 407 I C 2.620 178.740 176.117 0.005 0.000 1.100 407 I CA 1.376 62.667 61.300 -0.014 0.000 1.374 407 I CB -0.465 37.529 38.000 -0.010 0.000 1.057 407 I HN 0.315 nan 8.210 nan 0.000 0.413 408 E N 0.451 120.647 120.200 -0.008 0.000 2.077 408 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 408 E C 2.175 178.777 176.600 0.003 0.000 0.989 408 E CA 1.812 58.218 56.400 0.009 0.000 0.800 408 E CB -0.202 29.499 29.700 0.002 0.000 0.746 408 E HN 0.450 nan 8.360 nan 0.000 0.452 409 T N 1.702 116.251 114.554 -0.009 0.000 2.684 409 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 409 T C 1.977 176.672 174.700 -0.008 0.000 1.036 409 T CA 0.938 63.033 62.100 -0.009 0.000 1.148 409 T CB -0.196 68.663 68.868 -0.015 0.000 0.863 409 T HN 0.077 nan 8.240 nan 0.000 0.436 410 L N 0.691 121.909 121.223 -0.008 0.000 2.027 410 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 410 L C 3.112 179.974 176.870 -0.014 0.000 1.074 410 L CA 1.246 56.080 54.840 -0.010 0.000 0.745 410 L CB -0.773 41.282 42.059 -0.007 0.000 0.898 410 L HN 0.226 nan 8.230 nan 0.000 0.433 411 A N 0.173 122.993 122.820 0.000 0.000 1.940 411 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 411 A C 2.522 180.099 177.584 -0.012 0.000 1.176 411 A CA 1.855 53.890 52.037 -0.004 0.000 0.631 411 A CB -0.690 18.348 19.000 0.064 0.000 0.814 411 A HN 0.425 nan 8.150 nan 0.000 0.446 412 A N -0.212 122.608 122.820 -0.000 0.000 1.902 412 A HA 0.186 4.505 4.320 -0.000 0.000 0.217 412 A C 2.468 180.045 177.584 -0.012 0.000 1.181 412 A CA 1.952 53.988 52.037 -0.002 0.000 0.623 412 A CB -0.960 18.041 19.000 0.002 0.000 0.818 412 A HN 1.101 nan 8.150 nan 0.000 0.443 413 A N -0.372 122.438 122.820 -0.016 0.000 2.067 413 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 413 A C 1.695 179.262 177.584 -0.027 0.000 1.158 413 A CA 1.374 53.400 52.037 -0.019 0.000 0.661 413 A CB -0.350 18.640 19.000 -0.017 0.000 0.801 413 A HN 0.631 nan 8.150 nan 0.000 0.452 414 E N -0.724 119.451 120.200 -0.041 0.000 2.465 414 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 414 E C -0.333 176.233 176.600 -0.058 0.000 1.053 414 E CA -0.381 55.985 56.400 -0.057 0.000 0.869 414 E CB 0.129 29.775 29.700 -0.090 0.000 0.977 414 E HN 0.357 nan 8.360 nan 0.000 0.483 415 R N 0.214 120.691 120.500 -0.039 0.000 3.525 415 R HA -0.182 4.158 4.340 -0.000 0.000 0.276 415 R C -0.537 175.745 176.300 -0.031 0.000 1.116 415 R CA 0.574 56.658 56.100 -0.026 0.000 0.745 415 R CB -2.392 27.896 30.300 -0.021 0.000 1.185 415 R HN 0.244 nan 8.270 nan 0.000 0.454 416 L N 0.747 121.942 121.223 -0.047 0.000 2.417 416 L HA 0.162 4.502 4.340 -0.000 0.000 0.258 416 L C 1.637 178.542 176.870 0.058 0.000 1.088 416 L CA -0.386 54.430 54.840 -0.039 0.000 0.975 416 L CB 1.233 43.132 42.059 -0.267 0.000 1.341 416 L HN 0.064 nan 8.230 nan 0.000 0.431 417 T N 0.296 114.884 114.554 0.056 0.000 2.635 417 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 417 T C 2.044 176.796 174.700 0.087 0.000 1.040 417 T CA 1.863 63.999 62.100 0.061 0.000 1.156 417 T CB 0.045 68.938 68.868 0.042 0.000 0.863 417 T HN 0.663 nan 8.240 nan 0.000 0.430 418 A N 1.219 124.102 122.820 0.105 0.000 1.940 418 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 418 A C 2.030 179.670 177.584 0.094 0.000 1.176 418 A CA 1.970 54.058 52.037 0.084 0.000 0.631 418 A CB -0.927 18.114 19.000 0.068 0.000 0.814 418 A HN 0.599 nan 8.150 nan 0.000 0.446 419 H N -0.573 118.509 119.070 0.020 0.000 2.387 419 H HA -0.069 4.487 4.556 0.000 0.000 0.299 419 H C 2.051 177.400 175.328 0.034 0.000 1.090 419 H CA 1.837 57.901 56.048 0.026 0.000 1.332 419 H CB -0.015 29.760 29.762 0.021 0.000 1.386 419 H HN 0.610 nan 8.280 nan 0.000 0.516 420 K N 0.264 120.759 120.400 0.158 0.000 2.062 420 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 420 K C 1.544 178.193 176.600 0.081 0.000 1.051 420 K CA 1.244 57.591 56.287 0.099 0.000 0.941 420 K CB 0.198 32.738 32.500 0.067 0.000 0.719 420 K HN 0.143 nan 8.250 nan 0.000 0.440 421 N N 1.042 119.783 118.700 0.068 0.000 2.289 421 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 421 N C 1.538 177.077 175.510 0.049 0.000 1.016 421 N CA 1.255 54.335 53.050 0.051 0.000 0.872 421 N CB -0.350 38.159 38.487 0.036 0.000 0.973 421 N HN 0.336 nan 8.380 nan 0.000 0.433 422 A N 0.280 123.127 122.820 0.044 0.000 2.019 422 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 422 A C 2.359 179.994 177.584 0.084 0.000 1.164 422 A CA 1.085 53.140 52.037 0.030 0.000 0.644 422 A CB -0.424 18.573 19.000 -0.005 0.000 0.805 422 A HN 0.115 nan 8.150 nan 0.000 0.449 423 V N -0.788 119.213 119.914 0.145 0.000 2.346 423 V HA -0.156 3.964 4.120 -0.000 0.000 0.244 423 V C 2.683 178.922 176.094 0.242 0.000 1.037 423 V CA 2.271 64.737 62.300 0.276 0.000 1.029 423 V CB -1.242 30.694 31.823 0.189 0.000 0.663 423 V HN 0.553 nan 8.190 nan 0.000 0.454 424 T N 0.815 115.447 114.554 0.131 0.000 2.720 424 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 424 T C 1.936 176.687 174.700 0.085 0.000 1.037 424 T CA 1.578 63.737 62.100 0.098 0.000 1.144 424 T CB -0.344 68.561 68.868 0.061 0.000 0.864 424 T HN 0.249 nan 8.240 nan 0.000 0.444 425 L N 0.275 121.534 121.223 0.060 0.000 2.012 425 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 425 L C 2.923 179.803 176.870 0.017 0.000 1.073 425 L CA 1.557 56.414 54.840 0.027 0.000 0.748 425 L CB -0.420 41.642 42.059 0.004 0.000 0.891 425 L HN 0.174 nan 8.230 nan 0.000 0.431 426 R N -0.927 119.579 120.500 0.011 0.000 2.092 426 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 426 R C 2.180 178.521 176.300 0.067 0.000 1.119 426 R CA 1.037 57.087 56.100 -0.083 0.000 0.970 426 R CB -0.337 29.714 30.300 -0.415 0.000 0.864 426 R HN 0.187 nan 8.270 nan 0.000 0.440 427 V N 1.677 121.735 119.914 0.239 0.000 2.427 427 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 427 V C 1.633 177.796 176.094 0.115 0.000 1.051 427 V CA 1.593 64.039 62.300 0.244 0.000 1.048 427 V CB -0.482 31.455 31.823 0.190 0.000 0.666 427 V HN 0.325 nan 8.190 nan 0.000 0.456 428 N N 0.728 119.474 118.700 0.077 0.000 2.188 428 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 428 N C 1.914 177.442 175.510 0.030 0.000 1.018 428 N CA 1.585 54.662 53.050 0.045 0.000 0.858 428 N CB -0.482 38.025 38.487 0.033 0.000 0.989 428 N HN 0.480 nan 8.380 nan 0.000 0.426 429 A N 1.207 124.038 122.820 0.019 0.000 1.902 429 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 429 A C 2.357 179.946 177.584 0.008 0.000 1.181 429 A CA 0.955 52.992 52.037 0.000 0.000 0.623 429 A CB -0.735 18.248 19.000 -0.028 0.000 0.818 429 A HN 0.214 nan 8.150 nan 0.000 0.443 430 L N -0.822 120.416 121.223 0.025 0.000 2.093 430 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 430 L C 2.557 179.449 176.870 0.037 0.000 1.085 430 L CA 1.521 56.384 54.840 0.037 0.000 0.755 430 L CB -0.421 41.686 42.059 0.079 0.000 0.904 430 L HN 0.357 nan 8.230 nan 0.000 0.435 431 K N 0.154 120.579 120.400 0.041 0.000 2.063 431 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 431 K C 1.912 178.525 176.600 0.021 0.000 1.048 431 K CA 1.459 57.765 56.287 0.032 0.000 0.928 431 K CB -0.113 32.406 32.500 0.031 0.000 0.713 431 K HN 0.401 nan 8.250 nan 0.000 0.442 432 E N 0.543 120.753 120.200 0.017 0.000 2.274 432 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 432 E C 1.692 178.297 176.600 0.008 0.000 0.996 432 E CA 0.807 57.213 56.400 0.011 0.000 0.840 432 E CB 0.128 29.833 29.700 0.008 0.000 0.772 432 E HN 0.356 nan 8.360 nan 0.000 0.491 433 Q N -0.004 119.802 119.800 0.009 0.000 2.356 433 Q HA 0.179 4.519 4.340 -0.000 0.000 0.205 433 Q C 0.536 176.542 176.000 0.010 0.000 0.901 433 Q CA -0.229 55.578 55.803 0.007 0.000 0.938 433 Q CB 0.700 29.440 28.738 0.003 0.000 1.081 433 Q HN 0.087 nan 8.270 nan 0.000 0.517 434 A N 0.000 122.828 122.820 0.014 0.000 2.254 434 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 434 A CA 0.000 52.046 52.037 0.015 0.000 0.836 434 A CB 0.000 19.012 19.000 0.019 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486