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 3fy4_1_C DATA FIRST_RESID 5 DATA SEQUENCE SGSLIWFRKG LRVHDNPALE YASKGSEFMY PVFVIDPHYM ESDPSAFSPG DATA SEQUENCE SSRAGVNRIR FLLESLKDLD SSLKKLGSRL LVFKGEPGEV LVRCLQEWKV DATA SEQUENCE KRLCFEYDTD PYYQALDVKV KDYASSTGVE VFSPVSHTLF NPAHIIEKNG DATA SEQUENCE GKPPLSYQSF LKVAGEPSCA KSELVMSYSS LPPIGDIGNL GISEVPSLEE DATA SEQUENCE LGYKDDEQAD WTPFRGGESE ALKRLTKSIS DKAWVANFEK PKGDPSAFLK DATA SEQUENCE PATTVMSPYL KFGCLSSRYF YQCLQNIYKD VKKHTSPPVS LLGQLLWREF DATA SEQUENCE FYTTAFGTPN FDKMKGNRIC KQIPWNEDHA MLAAWRDGKT GYPWIDAIMV DATA SEQUENCE QLLKWGWMHH LARHCVACFL TRGDLFIHWE QGRDVFERLL IDSDWAINNG DATA SEQUENCE NWMWLSCSSF FYQFNRIYSP ISFGKKYDPD GKYIRHFLPV LKDMPKQYIY DATA SEQUENCE EPWTAPLSVQ TKANCIVGKD YPKPMVLHDS ASKECKRKMG EAYALNKKMD DATA SEQUENCE GKVDEENLRD LRRKLQKDEH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.302 174.600 -0.497 0.000 1.055 5 S CA 0.000 58.066 58.200 -0.224 0.000 1.107 5 S CB 0.000 63.099 63.200 -0.169 0.000 0.593 6 G N 1.719 110.128 108.800 -0.652 0.000 2.476 6 G HA2 0.589 4.550 3.960 0.001 0.000 0.286 6 G HA3 0.589 4.550 3.960 0.001 0.000 0.286 6 G C -0.033 174.773 174.900 -0.156 0.000 1.177 6 G CA 0.232 44.892 45.100 -0.732 0.000 0.870 6 G HN 0.751 nan 8.290 nan 0.000 0.528 7 S N -0.338 115.329 115.700 -0.055 0.000 2.726 7 S HA 0.777 5.248 4.470 0.001 0.000 0.308 7 S C -0.735 173.999 174.600 0.223 0.000 1.115 7 S CA -0.895 57.333 58.200 0.047 0.000 0.965 7 S CB 1.894 65.066 63.200 -0.047 0.000 1.145 7 S HN 0.928 nan 8.310 nan 0.000 0.532 8 L N 1.282 122.639 121.223 0.224 0.000 2.482 8 L HA 0.636 4.977 4.340 0.001 0.000 0.269 8 L C -1.845 175.184 176.870 0.265 0.000 0.967 8 L CA -0.925 54.105 54.840 0.317 0.000 0.851 8 L CB 1.475 43.745 42.059 0.351 0.000 1.242 8 L HN 0.828 nan 8.230 nan 0.000 0.404 9 I N 5.274 125.977 120.570 0.222 0.000 2.297 9 I HA 0.346 4.517 4.170 0.001 0.000 0.291 9 I C -1.174 175.012 176.117 0.116 0.000 1.033 9 I CA -0.071 61.279 61.300 0.083 0.000 1.253 9 I CB 0.885 38.837 38.000 -0.080 0.000 1.396 9 I HN 0.648 nan 8.210 nan 0.000 0.476 10 W N 9.343 130.620 121.300 -0.038 0.000 2.316 10 W HA 0.472 5.133 4.660 0.001 0.000 0.308 10 W C -1.591 174.882 176.519 -0.077 0.000 1.106 10 W CA -1.441 55.924 57.345 0.034 0.000 1.262 10 W CB 0.464 29.996 29.460 0.120 0.000 1.233 10 W HN 0.308 nan 8.180 nan 0.000 0.447 11 F N 6.605 126.753 119.950 0.330 0.000 2.399 11 F HA 0.436 4.964 4.527 0.001 0.000 0.334 11 F C 1.021 176.793 175.800 -0.046 0.000 1.097 11 F CA -0.357 57.742 58.000 0.165 0.000 1.076 11 F CB 1.458 40.689 39.000 0.384 0.000 1.162 11 F HN 0.339 nan 8.300 nan 0.000 0.495 12 R N 0.732 121.269 120.500 0.062 0.000 4.126 12 R HA 0.228 4.569 4.340 0.001 0.000 0.128 12 R C 0.383 176.744 176.300 0.102 0.000 0.687 12 R CA -0.221 55.828 56.100 -0.086 0.000 1.049 12 R CB 0.195 30.065 30.300 -0.717 0.000 1.559 12 R HN 0.356 nan 8.270 nan 0.000 0.455 13 K N 0.268 120.621 120.400 -0.077 0.000 2.501 13 K HA 0.337 4.658 4.320 0.001 0.000 0.204 13 K C -0.061 176.628 176.600 0.148 0.000 1.067 13 K CA 0.246 56.541 56.287 0.013 0.000 1.060 13 K CB 2.094 34.420 32.500 -0.289 0.000 0.873 13 K HN 0.211 nan 8.250 nan 0.000 0.540 14 G N 1.705 110.642 108.800 0.228 0.000 4.699 14 G HA2 0.209 4.170 3.960 0.001 0.000 0.308 14 G HA3 0.209 4.170 3.960 0.001 0.000 0.308 14 G C 0.181 175.319 174.900 0.396 0.000 1.399 14 G CA -0.387 44.877 45.100 0.273 0.000 1.221 14 G HN 0.106 nan 8.290 nan 0.000 0.596 15 L N 1.665 123.038 121.223 0.249 0.000 2.803 15 L HA 0.307 4.648 4.340 0.001 0.000 0.241 15 L C 1.018 177.895 176.870 0.011 0.000 1.404 15 L CA -0.019 54.852 54.840 0.052 0.000 1.211 15 L CB -0.993 41.075 42.059 0.014 0.000 1.585 15 L HN 0.535 nan 8.230 nan 0.000 0.430 16 R N -1.576 118.955 120.500 0.051 0.000 2.734 16 R HA 0.458 4.799 4.340 0.001 0.000 0.271 16 R C 0.188 176.528 176.300 0.066 0.000 1.021 16 R CA -0.755 55.349 56.100 0.005 0.000 0.893 16 R CB 1.470 31.656 30.300 -0.190 0.000 1.244 16 R HN -0.135 nan 8.270 nan 0.000 0.464 17 V N -2.499 117.476 119.914 0.101 0.000 3.263 17 V HA 0.165 4.286 4.120 0.001 0.000 0.248 17 V C 0.970 177.209 176.094 0.242 0.000 1.145 17 V CA 0.552 62.976 62.300 0.208 0.000 1.107 17 V CB -0.794 31.166 31.823 0.229 0.000 0.797 17 V HN 0.844 nan 8.190 nan 0.000 0.467 18 H N 0.414 119.572 119.070 0.146 0.000 2.690 18 H HA 0.227 4.784 4.556 0.001 0.000 0.365 18 H C 0.275 175.651 175.328 0.079 0.000 1.142 18 H CA 0.513 56.595 56.048 0.057 0.000 1.417 18 H CB 0.564 30.289 29.762 -0.062 0.000 1.446 18 H HN 0.320 nan 8.280 nan 0.000 0.599 19 D N 0.807 121.255 120.400 0.079 0.000 2.720 19 D HA -0.245 4.396 4.640 0.001 0.000 0.229 19 D C -0.631 175.693 176.300 0.039 0.000 1.198 19 D CA 0.628 54.662 54.000 0.058 0.000 0.639 19 D CB -1.336 39.532 40.800 0.114 0.000 1.003 19 D HN 0.701 nan 8.370 nan 0.000 0.411 20 N N 0.572 119.332 118.700 0.100 0.000 2.976 20 N HA 0.256 4.997 4.740 0.001 0.000 0.255 20 N C -1.940 173.659 175.510 0.148 0.000 1.312 20 N CA -1.909 51.210 53.050 0.115 0.000 0.897 20 N CB 1.175 39.762 38.487 0.166 0.000 1.184 20 N HN 0.034 nan 8.380 nan 0.000 0.497 21 P HA -0.200 nan 4.420 nan 0.000 0.217 21 P C 1.098 178.532 177.300 0.225 0.000 1.158 21 P CA 1.788 64.985 63.100 0.161 0.000 0.887 21 P CB 0.316 32.066 31.700 0.083 0.000 0.792 22 A N -0.794 122.053 122.820 0.046 0.000 1.873 22 A HA -0.234 4.087 4.320 0.001 0.000 0.218 22 A C 2.190 179.864 177.584 0.150 0.000 1.193 22 A CA 2.059 54.109 52.037 0.022 0.000 0.629 22 A CB -1.753 17.169 19.000 -0.129 0.000 0.826 22 A HN 0.207 nan 8.150 nan 0.000 0.447 23 L N -0.023 121.260 121.223 0.100 0.000 2.083 23 L HA -0.142 4.199 4.340 0.001 0.000 0.209 23 L C 2.244 179.200 176.870 0.143 0.000 1.083 23 L CA 2.678 57.567 54.840 0.081 0.000 0.752 23 L CB -0.697 41.416 42.059 0.090 0.000 0.899 23 L HN 0.625 nan 8.230 nan 0.000 0.433 24 E N -1.390 118.986 120.200 0.293 0.000 2.038 24 E HA -0.328 4.023 4.350 0.001 0.000 0.195 24 E C 2.274 179.059 176.600 0.308 0.000 1.000 24 E CA 1.860 58.481 56.400 0.368 0.000 0.803 24 E CB -0.524 29.384 29.700 0.346 0.000 0.750 24 E HN 0.671 nan 8.360 nan 0.000 0.448 25 Y N 0.270 120.681 120.300 0.186 0.000 2.128 25 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 25 Y C 2.206 178.155 175.900 0.083 0.000 1.154 25 Y CA 1.281 59.446 58.100 0.108 0.000 1.149 25 Y CB -0.159 38.382 38.460 0.135 0.000 0.976 25 Y HN 0.196 nan 8.280 nan 0.000 0.505 26 A N -0.347 122.535 122.820 0.103 0.000 1.978 26 A HA -0.244 4.077 4.320 0.001 0.000 0.220 26 A C 2.275 179.816 177.584 -0.072 0.000 1.170 26 A CA 1.998 54.012 52.037 -0.038 0.000 0.636 26 A CB -1.118 17.907 19.000 0.040 0.000 0.810 26 A HN 0.602 nan 8.150 nan 0.000 0.448 27 S N -0.770 114.914 115.700 -0.026 0.000 2.496 27 S HA 0.084 4.555 4.470 0.001 0.000 0.224 27 S C 0.712 175.293 174.600 -0.032 0.000 0.996 27 S CA 0.063 58.237 58.200 -0.043 0.000 0.927 27 S CB -0.145 63.021 63.200 -0.057 0.000 0.774 27 S HN 0.517 nan 8.310 nan 0.000 0.524 28 K N 1.193 121.572 120.400 -0.035 0.000 2.174 28 K HA 0.489 4.810 4.320 0.001 0.000 0.275 28 K C 0.769 177.302 176.600 -0.111 0.000 1.015 28 K CA 0.126 56.392 56.287 -0.035 0.000 0.933 28 K CB 0.674 33.194 32.500 0.033 0.000 1.025 28 K HN 0.249 nan 8.250 nan 0.000 0.463 29 G N 1.607 110.362 108.800 -0.075 0.000 2.356 29 G HA2 -0.270 3.691 3.960 0.001 0.000 0.296 29 G HA3 -0.270 3.691 3.960 0.001 0.000 0.296 29 G C -0.512 174.304 174.900 -0.139 0.000 1.022 29 G CA 0.350 45.394 45.100 -0.093 0.000 0.961 29 G HN 0.409 nan 8.290 nan 0.000 0.510 30 S N -1.285 114.327 115.700 -0.148 0.000 2.614 30 S HA 0.417 4.888 4.470 0.001 0.000 0.288 30 S C 0.769 175.242 174.600 -0.211 0.000 1.137 30 S CA -0.293 57.771 58.200 -0.226 0.000 0.992 30 S CB 2.054 65.109 63.200 -0.242 0.000 1.026 30 S HN 0.403 nan 8.310 nan 0.000 0.486 31 E N 1.485 121.512 120.200 -0.288 0.000 2.153 31 E HA -0.061 4.290 4.350 0.001 0.000 0.194 31 E C -0.376 176.249 176.600 0.042 0.000 0.988 31 E CA 1.204 57.549 56.400 -0.092 0.000 0.811 31 E CB 0.189 29.910 29.700 0.036 0.000 0.746 31 E HN 0.614 nan 8.360 nan 0.000 0.466 32 F N -1.804 118.105 119.950 -0.068 0.000 2.654 32 F HA 0.499 5.026 4.527 0.001 0.000 0.308 32 F C -0.757 174.963 175.800 -0.134 0.000 1.108 32 F CA -1.369 56.543 58.000 -0.147 0.000 0.957 32 F CB 1.054 39.917 39.000 -0.229 0.000 1.309 32 F HN -0.280 nan 8.300 nan 0.000 0.446 33 M N 2.458 122.025 119.600 -0.055 0.000 2.386 33 M HA 0.562 5.043 4.480 0.001 0.000 0.293 33 M C -2.338 173.899 176.300 -0.105 0.000 1.120 33 M CA -0.593 54.694 55.300 -0.021 0.000 0.909 33 M CB 2.201 34.788 32.600 -0.021 0.000 1.661 33 M HN 0.743 nan 8.290 nan 0.000 0.452 34 Y N 4.423 124.731 120.300 0.012 0.000 2.491 34 Y HA 0.472 5.023 4.550 0.001 0.000 0.334 34 Y C -2.373 173.618 175.900 0.151 0.000 0.969 34 Y CA -2.266 55.813 58.100 -0.035 0.000 1.241 34 Y CB 0.581 38.873 38.460 -0.281 0.000 1.105 34 Y HN 0.415 nan 8.280 nan 0.000 0.503 35 P HA 0.189 nan 4.420 nan 0.000 0.287 35 P C -0.892 176.681 177.300 0.454 0.000 1.294 35 P CA -0.174 63.169 63.100 0.406 0.000 0.776 35 P CB 1.525 33.457 31.700 0.387 0.000 0.889 36 V N 5.792 126.041 119.914 0.560 0.000 2.876 36 V HA 0.744 4.865 4.120 0.001 0.000 0.312 36 V C -1.828 174.664 176.094 0.663 0.000 1.085 36 V CA -0.975 61.637 62.300 0.519 0.000 0.945 36 V CB 1.631 33.781 31.823 0.546 0.000 1.017 36 V HN 0.337 nan 8.190 nan 0.000 0.428 37 F N 5.116 125.280 119.950 0.358 0.000 2.569 37 F HA 0.753 5.281 4.527 0.001 0.000 0.312 37 F C -1.081 174.897 175.800 0.296 0.000 1.109 37 F CA -0.609 57.621 58.000 0.384 0.000 0.919 37 F CB 2.136 41.273 39.000 0.228 0.000 1.211 37 F HN 0.529 nan 8.300 nan 0.000 0.446 38 V N 7.571 127.332 119.914 -0.255 0.000 2.448 38 V HA 0.530 4.650 4.120 0.001 0.000 0.295 38 V C -0.990 175.109 176.094 0.007 0.000 1.025 38 V CA -0.695 61.630 62.300 0.040 0.000 0.859 38 V CB 1.411 33.305 31.823 0.118 0.000 0.988 38 V HN 0.593 nan 8.190 nan 0.000 0.431 39 I N 5.693 126.409 120.570 0.242 0.000 2.347 39 I HA 0.272 4.443 4.170 0.001 0.000 0.294 39 I C 0.258 176.509 176.117 0.223 0.000 1.090 39 I CA 0.154 61.632 61.300 0.296 0.000 1.314 39 I CB 0.623 38.796 38.000 0.288 0.000 1.423 39 I HN 0.665 nan 8.210 nan 0.000 0.503 40 D N 9.916 130.452 120.400 0.227 0.000 2.336 40 D HA 0.179 4.819 4.640 0.001 0.000 0.249 40 D C -1.620 174.848 176.300 0.280 0.000 1.213 40 D CA -2.050 52.100 54.000 0.250 0.000 0.870 40 D CB 1.692 42.664 40.800 0.286 0.000 1.076 40 D HN 0.192 nan 8.370 nan 0.000 0.483 41 P HA -0.185 nan 4.420 nan 0.000 0.217 41 P C 1.235 178.642 177.300 0.177 0.000 1.148 41 P CA 1.033 64.238 63.100 0.175 0.000 0.828 41 P CB -0.006 31.770 31.700 0.126 0.000 0.783 42 H N -1.851 117.295 119.070 0.127 0.000 2.457 42 H HA -0.082 4.475 4.556 0.001 0.000 0.294 42 H C 1.094 176.386 175.328 -0.060 0.000 1.064 42 H CA 1.313 57.373 56.048 0.020 0.000 1.330 42 H CB -0.140 29.616 29.762 -0.011 0.000 1.395 42 H HN 0.208 nan 8.280 nan 0.000 0.541 43 Y N -1.480 118.852 120.300 0.052 0.000 2.507 43 Y HA 0.042 4.593 4.550 0.002 0.000 0.263 43 Y C 2.254 178.185 175.900 0.052 0.000 1.093 43 Y CA 0.198 58.301 58.100 0.005 0.000 1.285 43 Y CB 0.433 38.919 38.460 0.043 0.000 1.115 43 Y HN 0.126 nan 8.280 nan 0.000 0.533 44 M N -0.458 119.288 119.600 0.244 0.000 2.691 44 M HA 0.106 4.587 4.480 0.001 0.000 0.261 44 M C 0.259 176.697 176.300 0.231 0.000 1.227 44 M CA 0.774 56.215 55.300 0.235 0.000 1.197 44 M CB 0.390 33.135 32.600 0.242 0.000 1.294 44 M HN -0.140 nan 8.290 nan 0.000 0.508 45 E N 0.580 120.856 120.200 0.127 0.000 2.373 45 E HA 0.082 4.433 4.350 0.001 0.000 0.267 45 E C -0.200 176.351 176.600 -0.081 0.000 1.032 45 E CA -0.194 56.211 56.400 0.009 0.000 0.889 45 E CB 0.617 30.302 29.700 -0.025 0.000 0.984 45 E HN 0.126 nan 8.360 nan 0.000 0.425 46 S N 2.025 117.455 115.700 -0.452 0.000 2.626 46 S HA -0.127 4.344 4.470 0.001 0.000 0.303 46 S C -0.406 174.082 174.600 -0.187 0.000 1.256 46 S CA 0.030 57.922 58.200 -0.513 0.000 1.069 46 S CB 0.097 62.732 63.200 -0.941 0.000 0.807 46 S HN 0.431 nan 8.310 nan 0.000 0.500 47 D N 5.321 125.680 120.400 -0.068 0.000 2.453 47 D HA 0.445 5.086 4.640 0.001 0.000 0.238 47 D C -1.770 174.488 176.300 -0.069 0.000 1.088 47 D CA -2.293 51.659 54.000 -0.080 0.000 0.854 47 D CB 1.648 42.393 40.800 -0.092 0.000 1.076 47 D HN 0.208 nan 8.370 nan 0.000 0.533 48 P HA -0.084 nan 4.420 nan 0.000 0.219 48 P C 1.065 178.306 177.300 -0.098 0.000 1.146 48 P CA 0.742 63.801 63.100 -0.068 0.000 0.808 48 P CB 0.411 32.073 31.700 -0.063 0.000 0.779 49 S N -0.945 114.676 115.700 -0.131 0.000 2.453 49 S HA 0.082 4.553 4.470 0.001 0.000 0.231 49 S C 1.169 175.572 174.600 -0.329 0.000 1.005 49 S CA 0.380 58.457 58.200 -0.205 0.000 0.949 49 S CB -0.689 62.400 63.200 -0.185 0.000 0.774 49 S HN 0.197 nan 8.310 nan 0.000 0.510 50 A N 0.516 123.197 122.820 -0.231 0.000 2.492 50 A HA 0.328 4.649 4.320 0.001 0.000 0.236 50 A C 0.514 177.946 177.584 -0.254 0.000 1.078 50 A CA 0.057 51.954 52.037 -0.232 0.000 0.773 50 A CB -0.203 18.757 19.000 -0.066 0.000 1.023 50 A HN 0.414 nan 8.150 nan 0.000 0.504 51 F N 0.607 120.569 119.950 0.020 0.000 2.780 51 F HA 0.100 4.628 4.527 0.002 0.000 0.299 51 F C 1.172 176.988 175.800 0.026 0.000 1.146 51 F CA 1.146 59.160 58.000 0.024 0.000 1.428 51 F CB 0.141 39.157 39.000 0.028 0.000 1.115 51 F HN 0.576 nan 8.300 nan 0.000 0.583 52 S N -2.150 113.646 115.700 0.161 0.000 2.537 52 S HA 0.421 4.892 4.470 0.001 0.000 0.271 52 S C -3.058 171.594 174.600 0.087 0.000 1.148 52 S CA -1.804 56.465 58.200 0.114 0.000 0.868 52 S CB 1.297 64.560 63.200 0.104 0.000 1.115 52 S HN -0.318 nan 8.310 nan 0.000 0.461 53 P HA 0.390 nan 4.420 nan 0.000 0.259 53 P C 0.575 177.915 177.300 0.067 0.000 1.155 53 P CA 1.621 64.786 63.100 0.108 0.000 0.759 53 P CB -0.229 31.510 31.700 0.065 0.000 0.753 54 G N 1.119 110.054 108.800 0.225 0.000 2.362 54 G HA2 0.301 4.261 3.960 0.001 0.000 0.288 54 G HA3 0.301 4.261 3.960 0.001 0.000 0.288 54 G C -0.430 174.632 174.900 0.270 0.000 1.305 54 G CA -0.090 45.103 45.100 0.155 0.000 0.910 54 G HN 0.596 nan 8.290 nan 0.000 0.518 55 S N -1.165 114.633 115.700 0.162 0.000 2.607 55 S HA 0.632 5.103 4.470 0.001 0.000 0.272 55 S C 1.987 176.555 174.600 -0.054 0.000 1.166 55 S CA 0.976 59.204 58.200 0.048 0.000 1.021 55 S CB 1.134 64.341 63.200 0.012 0.000 1.113 55 S HN 2.184 nan 8.310 nan 0.000 0.531 56 S N 0.179 115.767 115.700 -0.186 0.000 2.453 56 S HA 0.047 4.518 4.470 0.001 0.000 0.231 56 S C 1.450 175.963 174.600 -0.146 0.000 1.005 56 S CA 0.017 58.105 58.200 -0.187 0.000 0.949 56 S CB -0.370 62.666 63.200 -0.272 0.000 0.774 56 S HN 0.630 nan 8.310 nan 0.000 0.510 57 R N 1.200 121.596 120.500 -0.174 0.000 2.307 57 R HA 0.549 4.889 4.340 0.001 0.000 0.200 57 R C 0.348 176.678 176.300 0.050 0.000 0.893 57 R CA 0.666 56.726 56.100 -0.066 0.000 1.042 57 R CB -0.132 30.089 30.300 -0.132 0.000 1.059 57 R HN 0.480 nan 8.270 nan 0.000 0.530 58 A N 0.231 123.085 122.820 0.056 0.000 2.449 58 A HA 0.729 5.050 4.320 0.001 0.000 0.302 58 A C -0.120 177.500 177.584 0.061 0.000 1.048 58 A CA -0.359 51.735 52.037 0.095 0.000 0.708 58 A CB 1.586 20.676 19.000 0.149 0.000 1.274 58 A HN 0.140 nan 8.150 nan 0.000 0.410 59 G N -0.394 108.435 108.800 0.048 0.000 2.537 59 G HA2 0.435 4.396 3.960 0.001 0.000 0.273 59 G HA3 0.435 4.396 3.960 0.001 0.000 0.273 59 G C 0.917 175.775 174.900 -0.070 0.000 1.189 59 G CA 0.249 45.353 45.100 0.006 0.000 0.881 59 G HN 1.344 nan 8.290 nan 0.000 0.535 60 V N 1.226 121.033 119.914 -0.178 0.000 2.568 60 V HA -0.212 3.908 4.120 0.001 0.000 0.253 60 V C 2.283 178.254 176.094 -0.206 0.000 1.072 60 V CA 2.495 64.580 62.300 -0.358 0.000 1.084 60 V CB -0.863 30.698 31.823 -0.437 0.000 0.676 60 V HN 0.800 nan 8.190 nan 0.000 0.469 61 N N -0.501 118.145 118.700 -0.089 0.000 2.142 61 N HA -0.179 4.562 4.740 0.001 0.000 0.186 61 N C 2.069 177.601 175.510 0.036 0.000 1.023 61 N CA 1.356 54.392 53.050 -0.022 0.000 0.852 61 N CB -0.182 38.332 38.487 0.044 0.000 0.998 61 N HN 0.390 nan 8.380 nan 0.000 0.424 62 R N 0.844 121.382 120.500 0.064 0.000 2.119 62 R HA 0.075 4.416 4.340 0.001 0.000 0.222 62 R C 1.991 178.385 176.300 0.157 0.000 1.088 62 R CA 0.592 56.788 56.100 0.159 0.000 0.984 62 R CB 0.007 30.426 30.300 0.198 0.000 0.884 62 R HN 0.213 nan 8.270 nan 0.000 0.447 63 I N 0.339 120.940 120.570 0.053 0.000 2.179 63 I HA -0.292 3.879 4.170 0.001 0.000 0.242 63 I C 2.728 178.809 176.117 -0.060 0.000 1.088 63 I CA 1.234 62.542 61.300 0.012 0.000 1.357 63 I CB -0.394 37.568 38.000 -0.063 0.000 1.051 63 I HN 0.242 nan 8.210 nan 0.000 0.409 64 R N 0.704 121.133 120.500 -0.119 0.000 2.103 64 R HA -0.253 4.088 4.340 0.001 0.000 0.242 64 R C 2.442 178.656 176.300 -0.143 0.000 1.142 64 R CA 1.948 57.940 56.100 -0.180 0.000 0.960 64 R CB -0.470 29.669 30.300 -0.269 0.000 0.858 64 R HN 0.236 nan 8.270 nan 0.000 0.439 65 F N 0.990 120.810 119.950 -0.216 0.000 2.134 65 F HA -0.238 4.290 4.527 0.002 0.000 0.299 65 F C 2.023 177.547 175.800 -0.460 0.000 1.097 65 F CA 1.331 59.170 58.000 -0.269 0.000 1.264 65 F CB -0.283 38.598 39.000 -0.197 0.000 1.001 65 F HN 0.100 nan 8.300 nan 0.000 0.479 66 L N 0.414 121.446 121.223 -0.319 0.000 1.994 66 L HA -0.175 4.166 4.340 0.001 0.000 0.208 66 L C 2.098 178.717 176.870 -0.418 0.000 1.071 66 L CA 1.816 56.340 54.840 -0.527 0.000 0.745 66 L CB -1.144 40.777 42.059 -0.230 0.000 0.892 66 L HN 0.213 nan 8.230 nan 0.000 0.431 67 L N -0.533 120.525 121.223 -0.274 0.000 2.043 67 L HA -0.256 4.084 4.340 0.001 0.000 0.212 67 L C 2.541 179.245 176.870 -0.276 0.000 1.075 67 L CA 1.755 56.453 54.840 -0.237 0.000 0.752 67 L CB -0.714 41.250 42.059 -0.158 0.000 0.891 67 L HN 0.390 nan 8.230 nan 0.000 0.432 68 E N -0.419 119.589 120.200 -0.318 0.000 2.106 68 E HA -0.155 4.196 4.350 0.001 0.000 0.192 68 E C 2.326 178.712 176.600 -0.357 0.000 0.984 68 E CA 1.340 57.551 56.400 -0.314 0.000 0.806 68 E CB -0.002 29.491 29.700 -0.345 0.000 0.750 68 E HN 0.385 nan 8.360 nan 0.000 0.458 69 S N 0.939 116.353 115.700 -0.476 0.000 2.383 69 S HA -0.078 4.393 4.470 0.001 0.000 0.227 69 S C 2.017 176.399 174.600 -0.364 0.000 1.026 69 S CA 0.662 58.606 58.200 -0.428 0.000 0.981 69 S CB -0.111 62.785 63.200 -0.508 0.000 0.818 69 S HN 0.185 nan 8.310 nan 0.000 0.472 70 L N 1.173 122.150 121.223 -0.410 0.000 2.017 70 L HA -0.124 4.217 4.340 0.001 0.000 0.208 70 L C 2.563 179.270 176.870 -0.272 0.000 1.073 70 L CA 1.346 55.946 54.840 -0.401 0.000 0.745 70 L CB -0.505 41.289 42.059 -0.442 0.000 0.894 70 L HN 0.260 nan 8.230 nan 0.000 0.432 71 K N 0.247 120.511 120.400 -0.226 0.000 2.063 71 K HA -0.268 4.052 4.320 0.001 0.000 0.208 71 K C 1.805 178.317 176.600 -0.147 0.000 1.048 71 K CA 2.060 58.251 56.287 -0.160 0.000 0.928 71 K CB -0.081 32.336 32.500 -0.137 0.000 0.713 71 K HN 0.153 nan 8.250 nan 0.000 0.442 72 D N 0.264 120.565 120.400 -0.166 0.000 2.117 72 D HA -0.151 4.489 4.640 0.001 0.000 0.198 72 D C 1.870 178.090 176.300 -0.132 0.000 0.982 72 D CA 0.753 54.674 54.000 -0.131 0.000 0.828 72 D CB -0.013 40.711 40.800 -0.126 0.000 0.967 72 D HN 0.191 nan 8.370 nan 0.000 0.464 73 L N 0.231 121.340 121.223 -0.189 0.000 1.989 73 L HA -0.230 4.110 4.340 0.001 0.000 0.211 73 L C 2.047 178.812 176.870 -0.175 0.000 1.071 73 L CA 2.206 56.910 54.840 -0.228 0.000 0.749 73 L CB -0.525 41.299 42.059 -0.392 0.000 0.890 73 L HN 0.124 nan 8.230 nan 0.000 0.431 74 D N -1.127 119.175 120.400 -0.163 0.000 2.133 74 D HA -0.263 4.378 4.640 0.001 0.000 0.195 74 D C 2.276 178.531 176.300 -0.076 0.000 0.997 74 D CA 1.726 55.663 54.000 -0.106 0.000 0.840 74 D CB 0.041 40.784 40.800 -0.095 0.000 0.947 74 D HN 0.274 nan 8.370 nan 0.000 0.452 75 S N -1.101 114.552 115.700 -0.077 0.000 2.353 75 S HA -0.176 4.294 4.470 0.001 0.000 0.222 75 S C 2.129 176.704 174.600 -0.041 0.000 1.035 75 S CA 1.881 60.049 58.200 -0.054 0.000 1.025 75 S CB -0.571 62.596 63.200 -0.055 0.000 0.902 75 S HN 0.320 nan 8.310 nan 0.000 0.440 76 S N 1.688 117.362 115.700 -0.044 0.000 2.370 76 S HA -0.019 4.452 4.470 0.001 0.000 0.226 76 S C 1.831 176.424 174.600 -0.012 0.000 1.033 76 S CA 1.524 59.713 58.200 -0.018 0.000 1.011 76 S CB -0.606 62.589 63.200 -0.009 0.000 0.852 76 S HN 0.468 nan 8.310 nan 0.000 0.457 77 L N 1.140 122.346 121.223 -0.028 0.000 1.994 77 L HA -0.153 4.188 4.340 0.001 0.000 0.208 77 L C 2.509 179.368 176.870 -0.017 0.000 1.071 77 L CA 1.371 56.200 54.840 -0.018 0.000 0.745 77 L CB -0.526 41.523 42.059 -0.017 0.000 0.892 77 L HN 0.237 nan 8.230 nan 0.000 0.431 78 K N 0.290 120.676 120.400 -0.024 0.000 2.113 78 K HA -0.227 4.094 4.320 0.001 0.000 0.208 78 K C 2.048 178.639 176.600 -0.014 0.000 1.047 78 K CA 1.504 57.779 56.287 -0.022 0.000 0.928 78 K CB -0.109 32.377 32.500 -0.025 0.000 0.716 78 K HN 0.284 nan 8.250 nan 0.000 0.446 79 K N 0.357 120.751 120.400 -0.010 0.000 2.280 79 K HA -0.074 4.247 4.320 0.001 0.000 0.202 79 K C 1.165 177.768 176.600 0.006 0.000 1.047 79 K CA 0.762 57.048 56.287 -0.001 0.000 0.942 79 K CB 0.089 32.591 32.500 0.003 0.000 0.739 79 K HN 0.155 nan 8.250 nan 0.000 0.457 80 L N 0.113 121.339 121.223 0.005 0.000 2.928 80 L HA 0.219 4.560 4.340 0.001 0.000 0.246 80 L C 0.516 177.383 176.870 -0.005 0.000 1.239 80 L CA -0.290 54.556 54.840 0.010 0.000 1.035 80 L CB 0.559 42.627 42.059 0.015 0.000 1.360 80 L HN 0.276 nan 8.230 nan 0.000 0.529 81 G N 0.097 108.891 108.800 -0.011 0.000 2.198 81 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 81 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 81 G C 0.179 175.060 174.900 -0.032 0.000 1.025 81 G CA 0.672 45.760 45.100 -0.020 0.000 0.769 81 G HN 0.431 nan 8.290 nan 0.000 0.507 82 S N -1.241 114.441 115.700 -0.030 0.000 2.921 82 S HA 0.922 5.393 4.470 0.001 0.000 0.315 82 S C 0.015 174.597 174.600 -0.030 0.000 1.087 82 S CA 0.151 58.329 58.200 -0.037 0.000 0.877 82 S CB 1.831 65.015 63.200 -0.026 0.000 1.340 82 S HN 0.969 nan 8.310 nan 0.000 0.622 83 R N 0.010 120.498 120.500 -0.019 0.000 2.709 83 R HA 0.402 4.742 4.340 0.001 0.000 0.270 83 R C -2.418 173.892 176.300 0.017 0.000 1.038 83 R CA -0.603 55.488 56.100 -0.014 0.000 0.872 83 R CB 0.906 31.192 30.300 -0.023 0.000 1.259 83 R HN 0.532 nan 8.270 nan 0.000 0.473 84 L N 4.222 125.447 121.223 0.003 0.000 2.265 84 L HA 0.443 4.784 4.340 0.001 0.000 0.289 84 L C -1.147 175.731 176.870 0.013 0.000 1.033 84 L CA -0.214 54.646 54.840 0.032 0.000 0.814 84 L CB 1.089 43.123 42.059 -0.042 0.000 1.203 84 L HN 0.508 nan 8.230 nan 0.000 0.423 85 L N 6.518 127.765 121.223 0.040 0.000 2.283 85 L HA 0.417 4.758 4.340 0.001 0.000 0.287 85 L C -0.471 176.161 176.870 -0.396 0.000 1.073 85 L CA -0.572 54.184 54.840 -0.141 0.000 0.822 85 L CB 1.068 43.142 42.059 0.025 0.000 1.186 85 L HN 0.352 nan 8.230 nan 0.000 0.436 86 V N 4.305 123.961 119.914 -0.430 0.000 2.472 86 V HA 0.504 4.625 4.120 0.001 0.000 0.290 86 V C -0.075 175.720 176.094 -0.499 0.000 1.037 86 V CA -0.290 61.837 62.300 -0.287 0.000 0.908 86 V CB 1.564 33.382 31.823 -0.008 0.000 0.985 86 V HN 0.442 nan 8.190 nan 0.000 0.454 87 F N 2.148 122.217 119.950 0.198 0.000 2.740 87 F HA 0.720 5.248 4.527 0.001 0.000 0.357 87 F C 0.026 175.895 175.800 0.114 0.000 1.141 87 F CA -1.233 56.841 58.000 0.123 0.000 1.044 87 F CB 1.985 41.025 39.000 0.066 0.000 1.430 87 F HN 0.197 nan 8.300 nan 0.000 0.518 88 K N 0.075 120.658 120.400 0.305 0.000 2.513 88 K HA 0.692 5.013 4.320 0.001 0.000 0.251 88 K C -0.560 176.112 176.600 0.120 0.000 0.939 88 K CA -0.614 55.787 56.287 0.189 0.000 0.793 88 K CB 2.308 34.901 32.500 0.155 0.000 1.241 88 K HN 0.905 nan 8.250 nan 0.000 0.431 89 G N 1.452 110.316 108.800 0.106 0.000 2.302 89 G HA2 -0.012 3.949 3.960 0.001 0.000 0.264 89 G HA3 -0.012 3.949 3.960 0.001 0.000 0.264 89 G C -1.738 173.200 174.900 0.064 0.000 1.335 89 G CA -0.877 44.259 45.100 0.060 0.000 0.982 89 G HN 0.565 nan 8.290 nan 0.000 0.473 90 E N 0.949 121.160 120.200 0.018 0.000 2.259 90 E HA 0.606 4.957 4.350 0.001 0.000 0.281 90 E C -1.481 175.100 176.600 -0.031 0.000 1.037 90 E CA -1.132 55.276 56.400 0.013 0.000 0.854 90 E CB 1.556 31.239 29.700 -0.027 0.000 1.051 90 E HN 0.095 nan 8.360 nan 0.000 0.409 91 P HA -0.198 nan 4.420 nan 0.000 0.215 91 P C 1.161 178.345 177.300 -0.193 0.000 1.163 91 P CA 2.321 65.410 63.100 -0.019 0.000 0.894 91 P CB 0.021 31.820 31.700 0.165 0.000 0.791 92 G N -0.152 108.541 108.800 -0.178 0.000 2.514 92 G HA2 -0.305 3.656 3.960 0.001 0.000 0.217 92 G HA3 -0.305 3.656 3.960 0.001 0.000 0.217 92 G C 1.456 176.176 174.900 -0.300 0.000 1.198 92 G CA 1.083 46.035 45.100 -0.247 0.000 0.780 92 G HN 0.290 nan 8.290 nan 0.000 0.565 93 E N -0.234 119.823 120.200 -0.238 0.000 2.070 93 E HA -0.137 4.214 4.350 0.001 0.000 0.197 93 E C 2.766 179.181 176.600 -0.309 0.000 1.004 93 E CA 1.307 57.555 56.400 -0.253 0.000 0.805 93 E CB -0.243 29.349 29.700 -0.179 0.000 0.744 93 E HN 0.302 nan 8.360 nan 0.000 0.451 94 V N 1.533 121.276 119.914 -0.285 0.000 2.343 94 V HA -0.245 3.876 4.120 0.001 0.000 0.247 94 V C 2.313 178.133 176.094 -0.457 0.000 1.051 94 V CA 1.179 63.274 62.300 -0.342 0.000 1.036 94 V CB -0.398 31.291 31.823 -0.223 0.000 0.654 94 V HN 0.305 nan 8.190 nan 0.000 0.451 95 L N 0.665 121.587 121.223 -0.503 0.000 2.012 95 L HA -0.140 4.201 4.340 0.001 0.000 0.210 95 L C 2.758 179.325 176.870 -0.504 0.000 1.073 95 L CA 2.519 57.006 54.840 -0.589 0.000 0.748 95 L CB -1.219 40.355 42.059 -0.808 0.000 0.891 95 L HN 0.498 nan 8.230 nan 0.000 0.431 96 V N -2.642 116.948 119.914 -0.540 0.000 2.626 96 V HA -0.205 3.916 4.120 0.001 0.000 0.252 96 V C 2.591 178.387 176.094 -0.497 0.000 1.067 96 V CA 1.408 63.305 62.300 -0.672 0.000 1.081 96 V CB -0.848 30.370 31.823 -1.009 0.000 0.686 96 V HN 0.349 nan 8.190 nan 0.000 0.468 97 R N -0.812 119.403 120.500 -0.475 0.000 2.090 97 R HA -0.052 4.289 4.340 0.001 0.000 0.228 97 R C 2.235 178.182 176.300 -0.589 0.000 1.110 97 R CA 1.936 57.764 56.100 -0.454 0.000 0.973 97 R CB -0.450 29.584 30.300 -0.444 0.000 0.869 97 R HN 0.640 nan 8.270 nan 0.000 0.440 98 C N 0.107 118.965 119.300 -0.737 0.000 2.489 98 C HA -0.009 4.452 4.460 0.001 0.000 0.279 98 C C 2.411 176.928 174.990 -0.788 0.000 1.266 98 C CA -0.071 58.256 59.018 -1.151 0.000 1.707 98 C CB -0.891 26.155 27.740 -1.157 0.000 2.059 98 C HN 0.437 nan 8.230 nan 0.000 0.481 99 L N 1.609 122.581 121.223 -0.419 0.000 2.089 99 L HA -0.258 4.083 4.340 0.001 0.000 0.213 99 L C 2.801 179.623 176.870 -0.079 0.000 1.079 99 L CA 2.253 57.011 54.840 -0.136 0.000 0.758 99 L CB -0.822 41.241 42.059 0.007 0.000 0.891 99 L HN 0.588 nan 8.230 nan 0.000 0.433 100 Q N -2.314 117.403 119.800 -0.138 0.000 2.250 100 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 100 Q C 1.878 177.801 176.000 -0.127 0.000 0.941 100 Q CA 0.924 56.686 55.803 -0.069 0.000 0.872 100 Q CB -0.393 28.326 28.738 -0.032 0.000 0.965 100 Q HN 0.361 nan 8.270 nan 0.000 0.480 101 E N 0.494 120.516 120.200 -0.297 0.000 2.208 101 E HA -0.122 4.229 4.350 0.001 0.000 0.193 101 E C 0.870 177.423 176.600 -0.079 0.000 0.988 101 E CA 1.193 57.427 56.400 -0.276 0.000 0.828 101 E CB -0.040 29.362 29.700 -0.496 0.000 0.763 101 E HN 0.540 nan 8.360 nan 0.000 0.478 102 W N 0.602 121.825 121.300 -0.129 0.000 3.107 102 W HA 0.291 4.952 4.660 0.001 0.000 0.293 102 W C 0.029 176.546 176.519 -0.004 0.000 1.239 102 W CA -0.039 57.225 57.345 -0.133 0.000 1.653 102 W CB 0.328 29.496 29.460 -0.487 0.000 1.068 102 W HN -0.078 nan 8.180 nan 0.000 0.615 103 K N -0.061 120.447 120.400 0.179 0.000 3.117 103 K HA -0.163 4.158 4.320 0.001 0.000 0.269 103 K C -0.107 176.596 176.600 0.172 0.000 1.098 103 K CA 0.369 56.746 56.287 0.149 0.000 0.785 103 K CB -2.559 30.033 32.500 0.153 0.000 1.242 103 K HN -0.026 nan 8.250 nan 0.000 0.491 104 V N 0.845 120.864 119.914 0.175 0.000 2.843 104 V HA 0.007 4.128 4.120 0.001 0.000 0.305 104 V C 1.583 177.735 176.094 0.096 0.000 1.065 104 V CA 0.419 62.815 62.300 0.160 0.000 1.116 104 V CB 1.193 33.126 31.823 0.183 0.000 0.968 104 V HN 0.201 nan 8.190 nan 0.000 0.487 105 K N 1.753 122.187 120.400 0.057 0.000 2.367 105 K HA 0.280 4.601 4.320 0.001 0.000 0.195 105 K C 0.654 177.271 176.600 0.029 0.000 1.060 105 K CA 0.349 56.654 56.287 0.031 0.000 1.022 105 K CB 0.323 32.824 32.500 0.001 0.000 0.894 105 K HN 0.456 nan 8.250 nan 0.000 0.540 106 R N 1.054 121.570 120.500 0.028 0.000 2.473 106 R HA 0.313 4.654 4.340 0.001 0.000 0.303 106 R C -1.568 174.793 176.300 0.101 0.000 1.002 106 R CA -0.382 55.736 56.100 0.030 0.000 0.884 106 R CB 0.780 31.018 30.300 -0.103 0.000 1.173 106 R HN 0.044 nan 8.270 nan 0.000 0.464 107 L N 4.950 126.273 121.223 0.167 0.000 2.282 107 L HA 0.524 4.865 4.340 0.001 0.000 0.288 107 L C -1.179 175.846 176.870 0.258 0.000 1.033 107 L CA -0.521 54.468 54.840 0.248 0.000 0.807 107 L CB 1.374 43.616 42.059 0.305 0.000 1.209 107 L HN 0.749 nan 8.230 nan 0.000 0.423 108 C N 5.171 124.639 119.300 0.280 0.000 2.482 108 C HA 0.721 5.182 4.460 0.001 0.000 0.317 108 C C -0.690 174.431 174.990 0.219 0.000 1.197 108 C CA -0.777 58.343 59.018 0.171 0.000 1.432 108 C CB 0.895 28.750 27.740 0.191 0.000 2.062 108 C HN 0.702 nan 8.230 nan 0.000 0.471 109 F N 0.100 120.061 119.950 0.018 0.000 2.650 109 F HA 0.557 5.085 4.527 0.001 0.000 0.310 109 F C -0.662 175.021 175.800 -0.194 0.000 1.112 109 F CA -0.983 56.950 58.000 -0.112 0.000 0.986 109 F CB 0.776 39.723 39.000 -0.089 0.000 1.285 109 F HN 0.569 nan 8.300 nan 0.000 0.440 110 E N 2.857 123.022 120.200 -0.059 0.000 2.384 110 E HA 0.064 4.415 4.350 0.001 0.000 0.266 110 E C -1.022 175.577 176.600 -0.002 0.000 1.012 110 E CA -0.452 55.892 56.400 -0.092 0.000 0.901 110 E CB 0.674 30.334 29.700 -0.067 0.000 0.967 110 E HN 0.748 nan 8.360 nan 0.000 0.435 111 Y N 3.586 123.810 120.300 -0.127 0.000 2.457 111 Y HA 0.095 4.646 4.550 0.001 0.000 0.341 111 Y C -0.347 175.510 175.900 -0.071 0.000 1.240 111 Y CA 0.457 58.524 58.100 -0.054 0.000 1.437 111 Y CB 0.875 39.281 38.460 -0.090 0.000 1.328 111 Y HN 0.599 nan 8.280 nan 0.000 0.588 112 D N 1.676 121.500 120.400 -0.960 0.000 2.756 112 D HA 0.220 4.861 4.640 0.001 0.000 0.226 112 D C -0.167 175.623 176.300 -0.850 0.000 1.186 112 D CA -0.227 53.311 54.000 -0.771 0.000 0.845 112 D CB 1.805 42.264 40.800 -0.568 0.000 1.610 112 D HN 0.580 nan 8.370 nan 0.000 0.465 113 T N -1.198 113.154 114.554 -0.337 0.000 3.086 113 T HA 0.198 4.548 4.350 0.001 0.000 0.250 113 T C 0.193 174.957 174.700 0.107 0.000 1.074 113 T CA -0.343 61.758 62.100 0.001 0.000 0.988 113 T CB -0.074 68.966 68.868 0.286 0.000 0.988 113 T HN 0.177 nan 8.240 nan 0.000 0.530 114 D N 3.154 123.583 120.400 0.048 0.000 2.389 114 D HA 0.201 4.842 4.640 0.001 0.000 0.247 114 D C -1.506 174.676 176.300 -0.196 0.000 1.128 114 D CA -2.157 51.779 54.000 -0.106 0.000 0.884 114 D CB 1.466 42.285 40.800 0.031 0.000 1.194 114 D HN 0.014 nan 8.370 nan 0.000 0.441 115 P HA -0.237 nan 4.420 nan 0.000 0.217 115 P C 1.317 178.502 177.300 -0.192 0.000 1.158 115 P CA 1.235 64.140 63.100 -0.324 0.000 0.887 115 P CB -0.013 31.405 31.700 -0.470 0.000 0.792 116 Y N -1.086 119.001 120.300 -0.355 0.000 2.081 116 Y HA -0.294 4.256 4.550 0.001 0.000 0.280 116 Y C 2.147 177.779 175.900 -0.447 0.000 1.163 116 Y CA 1.755 59.619 58.100 -0.394 0.000 1.135 116 Y CB -1.142 36.994 38.460 -0.539 0.000 0.970 116 Y HN -0.020 nan 8.280 nan 0.000 0.498 117 Y N 0.120 120.367 120.300 -0.089 0.000 2.373 117 Y HA -0.164 4.387 4.550 0.001 0.000 0.293 117 Y C 2.530 178.325 175.900 -0.176 0.000 1.129 117 Y CA 1.332 59.314 58.100 -0.197 0.000 1.226 117 Y CB -0.289 38.067 38.460 -0.173 0.000 1.000 117 Y HN 0.229 nan 8.280 nan 0.000 0.549 118 Q N -0.374 119.417 119.800 -0.014 0.000 2.167 118 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 118 Q C 2.501 178.494 176.000 -0.012 0.000 0.970 118 Q CA 1.123 56.945 55.803 0.031 0.000 0.855 118 Q CB -0.205 28.565 28.738 0.053 0.000 0.911 118 Q HN 0.534 nan 8.270 nan 0.000 0.438 119 A N 0.684 123.440 122.820 -0.106 0.000 1.929 119 A HA -0.095 4.226 4.320 0.001 0.000 0.216 119 A C 2.019 179.519 177.584 -0.139 0.000 1.176 119 A CA 0.741 52.704 52.037 -0.124 0.000 0.628 119 A CB -0.451 18.441 19.000 -0.180 0.000 0.816 119 A HN 0.256 nan 8.150 nan 0.000 0.444 120 L N -0.420 120.671 121.223 -0.219 0.000 2.005 120 L HA -0.163 4.178 4.340 0.001 0.000 0.207 120 L C 2.063 178.919 176.870 -0.023 0.000 1.072 120 L CA 1.519 56.259 54.840 -0.168 0.000 0.744 120 L CB -0.505 41.417 42.059 -0.228 0.000 0.895 120 L HN 0.314 nan 8.230 nan 0.000 0.433 121 D N -0.598 119.813 120.400 0.019 0.000 2.149 121 D HA -0.170 4.471 4.640 0.001 0.000 0.198 121 D C 2.256 178.659 176.300 0.172 0.000 0.990 121 D CA 1.040 55.116 54.000 0.128 0.000 0.839 121 D CB -0.323 40.620 40.800 0.238 0.000 0.948 121 D HN 0.120 nan 8.370 nan 0.000 0.460 122 V N 1.001 120.983 119.914 0.113 0.000 2.295 122 V HA -0.244 3.877 4.120 0.001 0.000 0.246 122 V C 2.353 178.500 176.094 0.089 0.000 1.049 122 V CA 1.624 63.987 62.300 0.105 0.000 1.024 122 V CB -0.313 31.551 31.823 0.068 0.000 0.648 122 V HN 0.191 nan 8.190 nan 0.000 0.447 123 K N -0.451 119.978 120.400 0.048 0.000 2.057 123 K HA -0.093 4.228 4.320 0.001 0.000 0.206 123 K C 2.093 178.737 176.600 0.074 0.000 1.050 123 K CA 1.264 57.574 56.287 0.037 0.000 0.935 123 K CB -0.349 32.138 32.500 -0.022 0.000 0.715 123 K HN 0.323 nan 8.250 nan 0.000 0.439 124 V N 1.956 121.912 119.914 0.071 0.000 2.295 124 V HA -0.253 3.868 4.120 0.001 0.000 0.246 124 V C 2.072 178.295 176.094 0.215 0.000 1.049 124 V CA 1.711 64.072 62.300 0.101 0.000 1.024 124 V CB -0.368 31.488 31.823 0.057 0.000 0.648 124 V HN 0.289 nan 8.190 nan 0.000 0.447 125 K N -0.143 120.404 120.400 0.246 0.000 2.063 125 K HA -0.223 4.098 4.320 0.001 0.000 0.208 125 K C 1.901 178.603 176.600 0.170 0.000 1.048 125 K CA 1.981 58.418 56.287 0.250 0.000 0.928 125 K CB -0.338 32.313 32.500 0.253 0.000 0.713 125 K HN 0.451 nan 8.250 nan 0.000 0.442 126 D N -0.144 120.342 120.400 0.143 0.000 2.104 126 D HA -0.195 4.445 4.640 0.001 0.000 0.194 126 D C 1.664 178.022 176.300 0.097 0.000 0.994 126 D CA 1.121 55.183 54.000 0.103 0.000 0.830 126 D CB -0.244 40.611 40.800 0.091 0.000 0.959 126 D HN 0.212 nan 8.370 nan 0.000 0.452 127 Y N 1.083 121.397 120.300 0.022 0.000 2.181 127 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 127 Y C 2.230 178.139 175.900 0.016 0.000 1.146 127 Y CA 1.755 59.855 58.100 0.001 0.000 1.164 127 Y CB -0.318 38.124 38.460 -0.029 0.000 0.982 127 Y HN -0.035 nan 8.280 nan 0.000 0.515 128 A N -0.826 122.052 122.820 0.096 0.000 1.892 128 A HA -0.277 4.044 4.320 0.001 0.000 0.218 128 A C 2.476 180.033 177.584 -0.045 0.000 1.188 128 A CA 2.190 54.253 52.037 0.044 0.000 0.631 128 A CB -1.524 17.571 19.000 0.159 0.000 0.822 128 A HN 0.510 nan 8.150 nan 0.000 0.447 129 S N -0.002 115.693 115.700 -0.009 0.000 2.382 129 S HA -0.153 4.318 4.470 0.001 0.000 0.228 129 S C 2.149 176.704 174.600 -0.075 0.000 1.027 129 S CA 1.996 60.185 58.200 -0.018 0.000 0.991 129 S CB -0.508 62.701 63.200 0.015 0.000 0.823 129 S HN 0.910 nan 8.310 nan 0.000 0.469 130 S N -0.001 115.615 115.700 -0.140 0.000 2.603 130 S HA 0.003 4.474 4.470 0.001 0.000 0.229 130 S C 1.192 175.645 174.600 -0.245 0.000 0.972 130 S CA 1.064 59.158 58.200 -0.178 0.000 0.935 130 S CB -0.390 62.694 63.200 -0.193 0.000 0.769 130 S HN 0.671 nan 8.310 nan 0.000 0.536 131 T N -3.552 110.837 114.554 -0.276 0.000 3.170 131 T HA 0.545 4.896 4.350 0.001 0.000 0.288 131 T C 1.048 175.677 174.700 -0.118 0.000 0.992 131 T CA 0.113 62.069 62.100 -0.239 0.000 0.909 131 T CB -0.037 68.603 68.868 -0.380 0.000 1.133 131 T HN 1.040 nan 8.240 nan 0.000 0.530 132 G N 1.263 110.013 108.800 -0.084 0.000 2.350 132 G HA2 -0.159 3.801 3.960 0.001 0.000 0.298 132 G HA3 -0.159 3.801 3.960 0.001 0.000 0.298 132 G C -0.158 174.735 174.900 -0.011 0.000 1.037 132 G CA 0.102 45.181 45.100 -0.034 0.000 1.074 132 G HN 0.747 nan 8.290 nan 0.000 0.511 133 V N 0.630 120.543 119.914 -0.001 0.000 2.357 133 V HA 0.352 4.473 4.120 0.001 0.000 0.284 133 V C 0.710 176.846 176.094 0.071 0.000 1.018 133 V CA -0.822 61.502 62.300 0.040 0.000 0.841 133 V CB 1.781 33.640 31.823 0.060 0.000 0.991 133 V HN 0.565 nan 8.190 nan 0.000 0.437 134 E N 3.895 124.141 120.200 0.077 0.000 2.384 134 E HA 0.308 4.659 4.350 0.001 0.000 0.266 134 E C -1.248 175.443 176.600 0.151 0.000 1.012 134 E CA -0.138 56.325 56.400 0.105 0.000 0.901 134 E CB 1.272 31.035 29.700 0.105 0.000 0.967 134 E HN 0.453 nan 8.360 nan 0.000 0.435 135 V N 6.432 126.443 119.914 0.162 0.000 2.487 135 V HA 0.351 4.472 4.120 0.001 0.000 0.298 135 V C -0.730 175.473 176.094 0.181 0.000 1.028 135 V CA -0.618 61.781 62.300 0.165 0.000 0.860 135 V CB 1.282 33.204 31.823 0.165 0.000 0.991 135 V HN 0.602 nan 8.190 nan 0.000 0.427 136 F N 3.849 123.770 119.950 -0.050 0.000 2.449 136 F HA 0.637 5.165 4.527 0.002 0.000 0.342 136 F C 0.224 175.843 175.800 -0.301 0.000 1.127 136 F CA -0.127 57.824 58.000 -0.081 0.000 0.975 136 F CB 1.724 40.807 39.000 0.138 0.000 1.146 136 F HN 0.446 nan 8.300 nan 0.000 0.444 137 S N 8.283 123.606 115.700 -0.629 0.000 2.216 137 S HA 0.341 4.812 4.470 0.001 0.000 0.156 137 S C -2.621 171.644 174.600 -0.559 0.000 1.665 137 S CA -1.269 56.491 58.200 -0.733 0.000 1.262 137 S CB 0.316 63.136 63.200 -0.633 0.000 1.207 137 S HN 0.516 nan 8.310 nan 0.000 0.427 138 P HA 0.186 nan 4.420 nan 0.000 0.272 138 P C -0.594 176.590 177.300 -0.195 0.000 1.240 138 P CA -0.349 62.466 63.100 -0.474 0.000 0.791 138 P CB 0.737 32.103 31.700 -0.556 0.000 0.978 139 V N 1.970 121.818 119.914 -0.111 0.000 2.334 139 V HA 0.177 4.298 4.120 0.001 0.000 0.267 139 V C 1.027 177.116 176.094 -0.009 0.000 1.040 139 V CA 0.448 62.739 62.300 -0.015 0.000 0.866 139 V CB 0.335 32.124 31.823 -0.055 0.000 1.019 139 V HN 0.812 nan 8.190 nan 0.000 0.468 140 S N 1.484 117.199 115.700 0.024 0.000 2.998 140 S HA 0.088 4.559 4.470 0.001 0.000 0.256 140 S C 0.795 175.427 174.600 0.053 0.000 0.970 140 S CA -0.143 58.067 58.200 0.017 0.000 1.238 140 S CB -0.250 62.956 63.200 0.009 0.000 1.170 140 S HN 0.799 nan 8.310 nan 0.000 0.663 141 H N 2.845 121.893 119.070 -0.037 0.000 2.582 141 H HA 0.303 4.860 4.556 0.001 0.000 0.269 141 H C 0.762 176.019 175.328 -0.120 0.000 0.962 141 H CA 1.666 57.680 56.048 -0.057 0.000 1.230 141 H CB 0.457 30.173 29.762 -0.077 0.000 1.445 141 H HN 0.531 nan 8.280 nan 0.000 0.528 142 T N -2.720 111.753 114.554 -0.135 0.000 2.930 142 T HA 0.286 4.637 4.350 0.001 0.000 0.290 142 T C 1.193 175.797 174.700 -0.160 0.000 1.052 142 T CA -0.784 61.186 62.100 -0.217 0.000 1.017 142 T CB 1.382 70.136 68.868 -0.190 0.000 1.137 142 T HN 0.146 nan 8.240 nan 0.000 0.511 143 L N -0.692 120.414 121.223 -0.195 0.000 2.109 143 L HA 0.258 4.598 4.340 0.001 0.000 0.207 143 L C 0.029 176.527 176.870 -0.619 0.000 1.086 143 L CA 1.000 55.554 54.840 -0.476 0.000 0.760 143 L CB -0.181 41.470 42.059 -0.679 0.000 0.910 143 L HN 0.516 nan 8.230 nan 0.000 0.437 144 F N -1.896 118.038 119.950 -0.027 0.000 2.598 144 F HA 0.335 4.863 4.527 0.002 0.000 0.327 144 F C 0.366 176.168 175.800 0.004 0.000 1.057 144 F CA -1.217 56.785 58.000 0.004 0.000 0.957 144 F CB 0.556 39.589 39.000 0.056 0.000 1.278 144 F HN -0.259 nan 8.300 nan 0.000 0.484 145 N N 2.279 121.091 118.700 0.186 0.000 2.437 145 N HA 0.264 5.005 4.740 0.001 0.000 0.243 145 N C -2.099 173.391 175.510 -0.035 0.000 1.041 145 N CA -2.212 50.828 53.050 -0.017 0.000 0.940 145 N CB 1.245 39.632 38.487 -0.168 0.000 1.133 145 N HN 0.153 nan 8.380 nan 0.000 0.506 146 P HA -0.218 nan 4.420 nan 0.000 0.217 146 P C 0.852 178.102 177.300 -0.082 0.000 1.158 146 P CA 1.884 64.947 63.100 -0.063 0.000 0.887 146 P CB 0.260 31.813 31.700 -0.245 0.000 0.792 147 A N -0.937 121.674 122.820 -0.348 0.000 1.902 147 A HA -0.254 4.067 4.320 0.001 0.000 0.217 147 A C 2.088 179.700 177.584 0.046 0.000 1.181 147 A CA 1.762 53.765 52.037 -0.057 0.000 0.623 147 A CB -1.708 17.185 19.000 -0.179 0.000 0.818 147 A HN 0.238 nan 8.150 nan 0.000 0.443 148 H N -0.579 118.492 119.070 0.001 0.000 2.423 148 H HA 0.009 4.566 4.556 0.001 0.000 0.297 148 H C 2.058 177.396 175.328 0.016 0.000 1.075 148 H CA 1.078 57.133 56.048 0.011 0.000 1.342 148 H CB -0.250 29.509 29.762 -0.005 0.000 1.395 148 H HN 0.348 nan 8.280 nan 0.000 0.530 149 I N 0.546 121.195 120.570 0.132 0.000 2.286 149 I HA -0.182 3.989 4.170 0.001 0.000 0.245 149 I C 2.488 178.643 176.117 0.063 0.000 1.104 149 I CA 0.829 62.150 61.300 0.034 0.000 1.397 149 I CB -0.774 37.220 38.000 -0.010 0.000 1.072 149 I HN 0.160 nan 8.210 nan 0.000 0.417 150 I N 0.520 121.171 120.570 0.135 0.000 2.179 150 I HA -0.294 3.876 4.170 0.001 0.000 0.242 150 I C 2.553 178.741 176.117 0.119 0.000 1.088 150 I CA 1.249 62.641 61.300 0.153 0.000 1.357 150 I CB -0.299 37.839 38.000 0.229 0.000 1.051 150 I HN 0.162 nan 8.210 nan 0.000 0.409 151 E N 1.568 121.847 120.200 0.131 0.000 2.023 151 E HA -0.292 4.059 4.350 0.001 0.000 0.196 151 E C 2.071 178.711 176.600 0.067 0.000 1.003 151 E CA 1.598 58.063 56.400 0.107 0.000 0.809 151 E CB -0.212 29.568 29.700 0.134 0.000 0.755 151 E HN 0.203 nan 8.360 nan 0.000 0.449 152 K N -0.143 120.289 120.400 0.053 0.000 2.442 152 K HA -0.178 4.143 4.320 0.001 0.000 0.199 152 K C 0.778 177.379 176.600 0.002 0.000 1.044 152 K CA 1.324 57.619 56.287 0.013 0.000 0.941 152 K CB -0.155 32.339 32.500 -0.010 0.000 0.759 152 K HN 0.018 nan 8.250 nan 0.000 0.472 153 N N -0.934 117.778 118.700 0.021 0.000 2.328 153 N HA 0.108 4.849 4.740 0.001 0.000 0.247 153 N C 0.270 175.803 175.510 0.038 0.000 1.165 153 N CA 0.600 53.662 53.050 0.020 0.000 0.873 153 N CB 1.005 39.510 38.487 0.030 0.000 1.125 153 N HN 0.291 nan 8.380 nan 0.000 0.513 154 G N -0.624 108.199 108.800 0.038 0.000 2.299 154 G HA2 -0.180 3.781 3.960 0.001 0.000 0.237 154 G HA3 -0.180 3.781 3.960 0.001 0.000 0.237 154 G C 0.700 175.632 174.900 0.053 0.000 1.027 154 G CA -0.217 44.907 45.100 0.041 0.000 0.619 154 G HN 1.233 nan 8.290 nan 0.000 0.513 155 G N -0.833 108.008 108.800 0.069 0.000 2.189 155 G HA2 0.251 4.212 3.960 0.001 0.000 0.113 155 G HA3 0.251 4.212 3.960 0.001 0.000 0.113 155 G C -0.340 174.612 174.900 0.086 0.000 1.038 155 G CA 0.783 45.931 45.100 0.080 0.000 0.704 155 G HN 1.244 nan 8.290 nan 0.000 0.490 156 K N 0.473 120.930 120.400 0.096 0.000 2.569 156 K HA 0.477 4.798 4.320 0.001 0.000 0.259 156 K C -2.822 173.855 176.600 0.128 0.000 0.932 156 K CA -1.812 54.537 56.287 0.104 0.000 0.833 156 K CB 2.848 35.399 32.500 0.085 0.000 1.340 156 K HN -0.035 nan 8.250 nan 0.000 0.429 157 P HA 0.064 nan 4.420 nan 0.000 0.265 157 P C -2.583 174.841 177.300 0.208 0.000 1.193 157 P CA -0.884 62.331 63.100 0.191 0.000 0.765 157 P CB -0.143 31.669 31.700 0.187 0.000 0.823 158 P HA 0.019 nan 4.420 nan 0.000 0.265 158 P C 0.970 178.486 177.300 0.361 0.000 1.193 158 P CA 0.049 63.303 63.100 0.257 0.000 0.765 158 P CB 0.216 32.075 31.700 0.265 0.000 0.823 159 L N 1.508 122.906 121.223 0.292 0.000 2.275 159 L HA -0.017 4.324 4.340 0.001 0.000 0.215 159 L C 1.143 178.289 176.870 0.460 0.000 1.119 159 L CA 1.468 56.510 54.840 0.336 0.000 0.790 159 L CB -1.134 41.050 42.059 0.210 0.000 0.919 159 L HN 0.426 nan 8.230 nan 0.000 0.443 160 S N -3.959 111.969 115.700 0.379 0.000 2.595 160 S HA 0.267 4.738 4.470 0.001 0.000 0.281 160 S C 0.578 175.107 174.600 -0.119 0.000 1.117 160 S CA -0.696 57.634 58.200 0.216 0.000 0.873 160 S CB 0.662 63.962 63.200 0.167 0.000 1.108 160 S HN 0.106 nan 8.310 nan 0.000 0.477 161 Y N 1.948 121.796 120.300 -0.754 0.000 2.193 161 Y HA -0.238 4.313 4.550 0.002 0.000 0.285 161 Y C 2.212 177.888 175.900 -0.374 0.000 1.166 161 Y CA 2.458 59.955 58.100 -1.005 0.000 1.181 161 Y CB -0.391 37.361 38.460 -1.179 0.000 0.976 161 Y HN 0.792 nan 8.280 nan 0.000 0.520 162 Q N -0.360 119.391 119.800 -0.082 0.000 2.046 162 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 162 Q C 2.446 178.404 176.000 -0.070 0.000 0.975 162 Q CA 2.056 57.830 55.803 -0.048 0.000 0.836 162 Q CB -0.512 28.256 28.738 0.050 0.000 0.896 162 Q HN 0.357 nan 8.270 nan 0.000 0.428 163 S N 0.247 115.944 115.700 -0.005 0.000 2.402 163 S HA -0.093 4.378 4.470 0.001 0.000 0.229 163 S C 1.534 176.116 174.600 -0.031 0.000 1.021 163 S CA 0.777 58.982 58.200 0.009 0.000 0.974 163 S CB -0.376 62.873 63.200 0.081 0.000 0.800 163 S HN 0.372 nan 8.310 nan 0.000 0.484 164 F N 2.714 122.580 119.950 -0.140 0.000 2.069 164 F HA -0.098 4.430 4.527 0.002 0.000 0.298 164 F C 1.865 177.476 175.800 -0.314 0.000 1.113 164 F CA 1.352 59.248 58.000 -0.172 0.000 1.214 164 F CB -0.358 38.576 39.000 -0.110 0.000 0.978 164 F HN 0.074 nan 8.300 nan 0.000 0.474 165 L N -0.055 120.985 121.223 -0.304 0.000 2.042 165 L HA -0.248 4.093 4.340 0.001 0.000 0.210 165 L C 2.466 179.152 176.870 -0.306 0.000 1.076 165 L CA 1.604 56.236 54.840 -0.347 0.000 0.749 165 L CB -0.872 41.016 42.059 -0.286 0.000 0.893 165 L HN 0.130 nan 8.230 nan 0.000 0.432 166 K N 0.418 120.684 120.400 -0.223 0.000 2.000 166 K HA -0.203 4.118 4.320 0.001 0.000 0.218 166 K C 1.844 178.325 176.600 -0.198 0.000 1.053 166 K CA 2.087 58.280 56.287 -0.157 0.000 0.946 166 K CB -0.664 31.774 32.500 -0.102 0.000 0.723 166 K HN 0.038 nan 8.250 nan 0.000 0.446 167 V N 0.620 120.378 119.914 -0.260 0.000 2.244 167 V HA -0.239 3.881 4.120 0.001 0.000 0.244 167 V C 2.324 178.190 176.094 -0.380 0.000 1.042 167 V CA 2.064 64.199 62.300 -0.275 0.000 1.006 167 V CB -1.120 30.543 31.823 -0.268 0.000 0.641 167 V HN 0.544 nan 8.190 nan 0.000 0.446 168 A N -0.609 121.782 122.820 -0.715 0.000 1.896 168 A HA 0.011 4.331 4.320 0.001 0.000 0.220 168 A C 1.870 179.245 177.584 -0.348 0.000 1.206 168 A CA 2.567 54.074 52.037 -0.884 0.000 0.647 168 A CB -1.308 16.572 19.000 -1.867 0.000 0.828 168 A HN 1.436 nan 8.150 nan 0.000 0.455 169 G N -1.265 107.394 108.800 -0.234 0.000 2.539 169 G HA2 -0.223 3.737 3.960 0.001 0.000 0.256 169 G HA3 -0.223 3.737 3.960 0.001 0.000 0.256 169 G C -0.321 174.684 174.900 0.175 0.000 1.233 169 G CA 0.171 45.259 45.100 -0.020 0.000 0.936 169 G HN 0.747 nan 8.290 nan 0.000 0.571 170 E N 2.333 122.635 120.200 0.172 0.000 2.249 170 E HA 0.404 4.755 4.350 0.001 0.000 0.280 170 E C -1.985 174.654 176.600 0.064 0.000 1.016 170 E CA -1.368 55.133 56.400 0.168 0.000 0.830 170 E CB 1.370 31.138 29.700 0.112 0.000 1.081 170 E HN 0.428 nan 8.360 nan 0.000 0.395 171 P HA -0.081 nan 4.420 nan 0.000 0.268 171 P C 0.666 177.778 177.300 -0.314 0.000 1.204 171 P CA 0.148 62.837 63.100 -0.685 0.000 0.768 171 P CB 0.938 31.946 31.700 -1.153 0.000 0.842 172 S N 1.613 117.174 115.700 -0.232 0.000 2.461 172 S HA -0.222 4.249 4.470 0.001 0.000 0.246 172 S C 1.671 176.212 174.600 -0.098 0.000 1.007 172 S CA 1.431 59.562 58.200 -0.115 0.000 0.976 172 S CB -1.592 61.559 63.200 -0.081 0.000 0.763 172 S HN 0.709 nan 8.310 nan 0.000 0.508 173 C N 0.009 119.220 119.300 -0.150 0.000 2.618 173 C HA 0.744 5.205 4.460 0.001 0.000 0.264 173 C C 2.723 177.707 174.990 -0.010 0.000 1.334 173 C CA -0.539 58.433 59.018 -0.075 0.000 1.731 173 C CB -1.654 26.032 27.740 -0.090 0.000 1.852 173 C HN 0.627 nan 8.230 nan 0.000 0.566 174 A N 2.360 125.171 122.820 -0.015 0.000 1.896 174 A HA -0.223 4.097 4.320 0.001 0.000 0.220 174 A C 2.054 179.692 177.584 0.089 0.000 1.206 174 A CA 2.296 54.396 52.037 0.104 0.000 0.647 174 A CB -0.350 18.712 19.000 0.102 0.000 0.828 174 A HN 0.630 nan 8.150 nan 0.000 0.455 175 K N 0.276 120.705 120.400 0.049 0.000 2.358 175 K HA 0.245 4.566 4.320 0.001 0.000 0.197 175 K C 0.324 176.944 176.600 0.033 0.000 1.025 175 K CA 0.046 56.358 56.287 0.042 0.000 1.104 175 K CB -0.100 32.417 32.500 0.030 0.000 0.855 175 K HN 0.351 nan 8.250 nan 0.000 0.531 176 S N 2.061 117.778 115.700 0.029 0.000 2.568 176 S HA 0.003 4.474 4.470 0.001 0.000 0.282 176 S C 0.274 174.893 174.600 0.032 0.000 1.338 176 S CA -0.159 58.055 58.200 0.023 0.000 1.045 176 S CB 0.691 63.900 63.200 0.016 0.000 0.873 176 S HN 0.133 nan 8.310 nan 0.000 0.516 177 E N 2.546 122.757 120.200 0.019 0.000 2.014 177 E HA 0.281 4.631 4.350 0.001 0.000 0.275 177 E C -0.875 175.729 176.600 0.006 0.000 0.997 177 E CA -0.181 56.227 56.400 0.013 0.000 0.804 177 E CB -0.051 29.649 29.700 0.001 0.000 1.090 177 E HN 0.448 nan 8.360 nan 0.000 0.401 178 L N 4.066 125.297 121.223 0.013 0.000 2.367 178 L HA 0.227 4.568 4.340 0.001 0.000 0.275 178 L C -0.079 176.762 176.870 -0.049 0.000 1.129 178 L CA -0.917 53.924 54.840 0.002 0.000 0.839 178 L CB 1.037 43.115 42.059 0.031 0.000 1.133 178 L HN 0.286 nan 8.230 nan 0.000 0.453 179 V N 5.291 125.171 119.914 -0.056 0.000 2.341 179 V HA -0.009 4.111 4.120 0.001 0.000 0.248 179 V C 1.251 177.254 176.094 -0.152 0.000 1.107 179 V CA 0.069 62.285 62.300 -0.140 0.000 1.069 179 V CB 0.468 32.188 31.823 -0.171 0.000 1.177 179 V HN 0.752 nan 8.190 nan 0.000 0.492 180 M N 1.807 121.310 119.600 -0.162 0.000 2.558 180 M HA 0.142 4.623 4.480 0.001 0.000 0.255 180 M C 0.811 177.047 176.300 -0.107 0.000 1.113 180 M CA 0.710 55.928 55.300 -0.137 0.000 1.097 180 M CB -0.069 32.391 32.600 -0.233 0.000 1.426 180 M HN 0.655 nan 8.290 nan 0.000 0.488 181 S N -1.166 114.400 115.700 -0.223 0.000 2.615 181 S HA 0.632 5.103 4.470 0.001 0.000 0.269 181 S C -2.115 172.254 174.600 -0.386 0.000 1.161 181 S CA -0.570 57.533 58.200 -0.161 0.000 0.817 181 S CB 1.293 64.452 63.200 -0.068 0.000 1.131 181 S HN 0.167 nan 8.310 nan 0.000 0.467 182 Y N 1.116 121.430 120.300 0.023 0.000 2.421 182 Y HA 0.338 4.889 4.550 0.001 0.000 0.339 182 Y C 1.333 177.243 175.900 0.016 0.000 0.996 182 Y CA -0.411 57.703 58.100 0.024 0.000 1.046 182 Y CB 2.227 40.708 38.460 0.036 0.000 1.226 182 Y HN 0.734 nan 8.280 nan 0.000 0.445 183 S N 0.242 116.028 115.700 0.144 0.000 2.406 183 S HA 0.037 4.508 4.470 0.001 0.000 0.228 183 S C 0.568 175.222 174.600 0.091 0.000 1.020 183 S CA 0.920 59.172 58.200 0.087 0.000 0.965 183 S CB -0.170 63.063 63.200 0.054 0.000 0.798 183 S HN 0.615 nan 8.310 nan 0.000 0.488 184 S N -0.294 115.477 115.700 0.119 0.000 2.705 184 S HA 0.814 5.284 4.470 0.001 0.000 0.280 184 S C -1.585 173.052 174.600 0.062 0.000 1.174 184 S CA -0.911 57.334 58.200 0.074 0.000 0.823 184 S CB 1.558 64.788 63.200 0.050 0.000 1.162 184 S HN 0.314 nan 8.310 nan 0.000 0.487 185 L N 0.823 122.052 121.223 0.010 0.000 2.565 185 L HA 0.586 4.927 4.340 0.001 0.000 0.261 185 L C -2.944 173.905 176.870 -0.035 0.000 0.932 185 L CA -1.255 53.560 54.840 -0.041 0.000 0.878 185 L CB 1.731 43.740 42.059 -0.083 0.000 1.333 185 L HN 0.575 nan 8.230 nan 0.000 0.409 186 P HA 0.106 nan 4.420 nan 0.000 0.261 186 P C -2.430 174.845 177.300 -0.041 0.000 1.173 186 P CA -0.381 62.699 63.100 -0.033 0.000 0.760 186 P CB -0.173 31.497 31.700 -0.050 0.000 0.783 187 P HA 0.142 nan 4.420 nan 0.000 0.282 187 P C -0.164 177.060 177.300 -0.125 0.000 1.286 187 P CA -0.077 62.984 63.100 -0.066 0.000 0.777 187 P CB 0.889 32.557 31.700 -0.054 0.000 1.184 188 I N -0.268 120.177 120.570 -0.208 0.000 2.365 188 I HA 0.251 4.422 4.170 0.001 0.000 0.291 188 I C 1.334 177.116 176.117 -0.557 0.000 1.004 188 I CA -0.288 60.755 61.300 -0.429 0.000 1.311 188 I CB 0.955 38.739 38.000 -0.360 0.000 1.401 188 I HN 0.375 nan 8.210 nan 0.000 0.491 189 G N 4.757 112.955 108.800 -1.004 0.000 2.636 189 G HA2 0.074 4.035 3.960 0.001 0.000 0.246 189 G HA3 0.074 4.035 3.960 0.001 0.000 0.246 189 G C -0.363 174.204 174.900 -0.556 0.000 1.216 189 G CA -0.589 43.954 45.100 -0.929 0.000 0.854 189 G HN 0.755 nan 8.290 nan 0.000 0.572 190 D N 0.383 120.580 120.400 -0.339 0.000 2.493 190 D HA -0.038 4.603 4.640 0.001 0.000 0.240 190 D C 0.478 176.797 176.300 0.032 0.000 1.142 190 D CA 0.093 54.017 54.000 -0.126 0.000 0.872 190 D CB 0.878 41.626 40.800 -0.086 0.000 1.173 190 D HN 0.215 nan 8.370 nan 0.000 0.467 191 I N 1.863 122.504 120.570 0.118 0.000 2.496 191 I HA 0.184 4.355 4.170 0.001 0.000 0.285 191 I C 1.724 178.071 176.117 0.384 0.000 1.080 191 I CA -0.413 61.107 61.300 0.367 0.000 1.404 191 I CB 0.892 39.108 38.000 0.360 0.000 1.403 191 I HN 0.462 nan 8.210 nan 0.000 0.539 192 G N 4.233 113.378 108.800 0.575 0.000 2.529 192 G HA2 -0.085 3.876 3.960 0.001 0.000 0.277 192 G HA3 -0.085 3.876 3.960 0.001 0.000 0.277 192 G C 0.419 175.417 174.900 0.163 0.000 1.383 192 G CA -0.431 44.833 45.100 0.273 0.000 1.050 192 G HN 0.728 nan 8.290 nan 0.000 0.526 193 N N 0.163 118.903 118.700 0.067 0.000 3.193 193 N HA 0.080 4.821 4.740 0.001 0.000 0.312 193 N C -0.147 175.362 175.510 -0.001 0.000 1.261 193 N CA 0.026 53.099 53.050 0.038 0.000 1.208 193 N CB -0.573 37.921 38.487 0.011 0.000 1.471 193 N HN 0.217 nan 8.380 nan 0.000 0.548 194 L N -0.850 120.391 121.223 0.030 0.000 2.365 194 L HA 0.420 4.761 4.340 0.001 0.000 0.267 194 L C 1.480 178.375 176.870 0.042 0.000 1.033 194 L CA -0.989 53.817 54.840 -0.056 0.000 0.802 194 L CB 1.088 43.066 42.059 -0.135 0.000 1.267 194 L HN 0.189 nan 8.230 nan 0.000 0.457 195 G N 2.091 110.890 108.800 -0.002 0.000 3.084 195 G HA2 0.115 4.076 3.960 0.001 0.000 0.254 195 G HA3 0.115 4.076 3.960 0.001 0.000 0.254 195 G C 0.461 175.555 174.900 0.323 0.000 0.834 195 G CA -0.381 44.798 45.100 0.132 0.000 1.999 195 G HN 0.430 nan 8.290 nan 0.000 0.611 196 I N 1.018 121.774 120.570 0.309 0.000 3.252 196 I HA -0.116 4.055 4.170 0.001 0.000 0.331 196 I C 0.830 177.083 176.117 0.227 0.000 1.237 196 I CA 0.847 62.337 61.300 0.317 0.000 1.436 196 I CB -0.042 38.079 38.000 0.202 0.000 1.338 196 I HN 0.268 nan 8.210 nan 0.000 0.512 197 S N 5.925 121.732 115.700 0.179 0.000 2.541 197 S HA 0.426 4.897 4.470 0.001 0.000 0.271 197 S C -0.533 174.077 174.600 0.016 0.000 1.133 197 S CA -0.932 57.326 58.200 0.096 0.000 0.876 197 S CB 1.626 64.908 63.200 0.137 0.000 1.105 197 S HN 0.554 nan 8.310 nan 0.000 0.470 198 E N 1.145 121.359 120.200 0.023 0.000 2.504 198 E HA 0.375 4.726 4.350 0.001 0.000 0.253 198 E C -0.319 176.280 176.600 -0.001 0.000 1.151 198 E CA -0.742 55.659 56.400 0.000 0.000 0.972 198 E CB 0.539 30.243 29.700 0.006 0.000 1.247 198 E HN 0.469 nan 8.360 nan 0.000 0.519 199 V N 3.868 123.770 119.914 -0.020 0.000 2.470 199 V HA 0.092 4.213 4.120 0.001 0.000 0.276 199 V C -1.615 174.475 176.094 -0.005 0.000 1.040 199 V CA -1.003 61.281 62.300 -0.026 0.000 1.008 199 V CB 0.215 31.994 31.823 -0.073 0.000 0.990 199 V HN 0.529 nan 8.190 nan 0.000 0.477 200 P HA 0.177 nan 4.420 nan 0.000 0.272 200 P C -0.321 176.989 177.300 0.016 0.000 1.240 200 P CA -0.212 62.908 63.100 0.033 0.000 0.791 200 P CB 0.774 32.513 31.700 0.065 0.000 0.978 201 S N 0.381 116.096 115.700 0.026 0.000 2.690 201 S HA 0.232 4.703 4.470 0.001 0.000 0.291 201 S C 1.342 175.974 174.600 0.052 0.000 1.138 201 S CA -0.847 57.364 58.200 0.017 0.000 1.013 201 S CB 0.547 63.759 63.200 0.020 0.000 1.053 201 S HN 0.202 nan 8.310 nan 0.000 0.539 202 L N 1.060 122.310 121.223 0.044 0.000 2.187 202 L HA -0.072 4.269 4.340 0.001 0.000 0.213 202 L C 2.582 179.577 176.870 0.208 0.000 1.100 202 L CA 1.893 56.818 54.840 0.142 0.000 0.765 202 L CB -1.676 40.401 42.059 0.030 0.000 0.904 202 L HN 1.015 nan 8.230 nan 0.000 0.437 203 E N 0.139 120.401 120.200 0.103 0.000 2.028 203 E HA -0.222 4.129 4.350 0.001 0.000 0.191 203 E C 1.833 178.457 176.600 0.041 0.000 0.988 203 E CA 1.249 57.691 56.400 0.071 0.000 0.799 203 E CB 0.067 29.796 29.700 0.049 0.000 0.755 203 E HN 0.527 nan 8.360 nan 0.000 0.447 204 E N -0.018 120.207 120.200 0.043 0.000 2.265 204 E HA -0.168 4.183 4.350 0.001 0.000 0.196 204 E C 1.774 178.388 176.600 0.023 0.000 0.996 204 E CA 0.320 56.738 56.400 0.030 0.000 0.832 204 E CB 0.093 29.816 29.700 0.038 0.000 0.756 204 E HN 0.203 nan 8.360 nan 0.000 0.491 205 L N -0.848 120.405 121.223 0.051 0.000 2.478 205 L HA 0.087 4.428 4.340 0.001 0.000 0.223 205 L C 1.607 178.370 176.870 -0.178 0.000 1.140 205 L CA 1.583 56.446 54.840 0.039 0.000 0.842 205 L CB -0.073 42.122 42.059 0.226 0.000 0.953 205 L HN 0.288 nan 8.230 nan 0.000 0.452 206 G N -2.843 105.843 108.800 -0.191 0.000 2.231 206 G HA2 -0.268 3.693 3.960 0.001 0.000 0.206 206 G HA3 -0.268 3.693 3.960 0.001 0.000 0.206 206 G C 0.100 174.760 174.900 -0.399 0.000 0.996 206 G CA -0.246 44.662 45.100 -0.319 0.000 0.645 206 G HN 0.233 nan 8.290 nan 0.000 0.498 207 Y N 1.994 122.292 120.300 -0.004 0.000 2.377 207 Y HA 0.546 5.097 4.550 0.001 0.000 0.330 207 Y C 1.215 177.114 175.900 -0.002 0.000 1.108 207 Y CA -0.119 57.977 58.100 -0.006 0.000 1.308 207 Y CB 0.690 39.141 38.460 -0.015 0.000 1.216 207 Y HN 0.072 nan 8.280 nan 0.000 0.518 208 K N 1.430 121.901 120.400 0.119 0.000 2.120 208 K HA 0.045 4.366 4.320 0.001 0.000 0.245 208 K C 0.347 177.001 176.600 0.090 0.000 1.024 208 K CA -0.456 55.877 56.287 0.077 0.000 0.906 208 K CB 0.486 33.018 32.500 0.053 0.000 1.051 208 K HN 0.580 nan 8.250 nan 0.000 0.491 209 D N 1.091 121.533 120.400 0.069 0.000 2.144 209 D HA -0.177 4.464 4.640 0.001 0.000 0.199 209 D C 1.284 177.629 176.300 0.075 0.000 0.984 209 D CA 1.343 55.386 54.000 0.071 0.000 0.834 209 D CB -0.139 40.697 40.800 0.060 0.000 0.955 209 D HN 0.646 nan 8.370 nan 0.000 0.465 210 D N 0.596 121.036 120.400 0.067 0.000 2.312 210 D HA -0.145 4.495 4.640 0.001 0.000 0.211 210 D C 0.944 177.287 176.300 0.072 0.000 0.964 210 D CA 0.578 54.618 54.000 0.066 0.000 0.877 210 D CB -0.276 40.557 40.800 0.055 0.000 0.924 210 D HN 0.278 nan 8.370 nan 0.000 0.515 211 E N -0.191 120.058 120.200 0.081 0.000 2.489 211 E HA 0.031 4.382 4.350 0.001 0.000 0.193 211 E C 1.056 177.676 176.600 0.035 0.000 1.057 211 E CA 0.125 56.572 56.400 0.078 0.000 0.866 211 E CB 0.272 30.056 29.700 0.141 0.000 0.916 211 E HN 0.427 nan 8.360 nan 0.000 0.500 212 Q N -0.764 119.065 119.800 0.049 0.000 2.149 212 Q HA 0.267 4.608 4.340 0.001 0.000 0.221 212 Q C 1.622 177.704 176.000 0.135 0.000 0.807 212 Q CA 0.035 55.846 55.803 0.014 0.000 1.000 212 Q CB 0.960 29.706 28.738 0.013 0.000 1.157 212 Q HN 0.149 nan 8.270 nan 0.000 0.487 213 A N 1.244 124.151 122.820 0.146 0.000 1.892 213 A HA -0.155 4.166 4.320 0.001 0.000 0.218 213 A C 0.402 178.157 177.584 0.285 0.000 1.188 213 A CA 1.468 53.617 52.037 0.187 0.000 0.631 213 A CB -0.147 18.923 19.000 0.116 0.000 0.822 213 A HN 0.250 nan 8.150 nan 0.000 0.447 214 D N -2.560 117.991 120.400 0.251 0.000 2.163 214 D HA 0.501 5.142 4.640 0.001 0.000 0.248 214 D C -0.893 175.648 176.300 0.401 0.000 1.035 214 D CA -0.083 54.106 54.000 0.315 0.000 0.872 214 D CB 0.730 41.642 40.800 0.187 0.000 1.183 214 D HN 0.399 nan 8.370 nan 0.000 0.445 215 W N 0.599 121.904 121.300 0.009 0.000 2.689 215 W HA 0.419 5.080 4.660 0.001 0.000 0.340 215 W C 0.503 177.012 176.519 -0.015 0.000 1.060 215 W CA -1.106 56.235 57.345 -0.006 0.000 1.218 215 W CB 1.092 30.531 29.460 -0.035 0.000 1.410 215 W HN 0.100 nan 8.180 nan 0.000 0.528 216 T N 3.637 118.302 114.554 0.185 0.000 2.898 216 T HA 0.189 4.540 4.350 0.001 0.000 0.301 216 T C -1.178 173.468 174.700 -0.091 0.000 1.049 216 T CA -1.437 60.718 62.100 0.091 0.000 1.095 216 T CB 1.046 70.021 68.868 0.178 0.000 0.976 216 T HN 0.307 nan 8.240 nan 0.000 0.539 217 P HA 0.171 nan 4.420 nan 0.000 0.249 217 P C -0.643 176.170 177.300 -0.812 0.000 1.241 217 P CA 0.126 62.744 63.100 -0.804 0.000 0.781 217 P CB -0.304 30.590 31.700 -1.344 0.000 1.088 218 F N 0.157 120.106 119.950 -0.002 0.000 2.403 218 F HA 0.471 4.998 4.527 0.001 0.000 0.355 218 F C 0.964 176.929 175.800 0.276 0.000 1.119 218 F CA -1.357 56.719 58.000 0.126 0.000 1.007 218 F CB 1.207 40.272 39.000 0.108 0.000 1.194 218 F HN -0.399 nan 8.300 nan 0.000 0.443 219 R N 1.409 122.119 120.500 0.349 0.000 2.490 219 R HA 0.551 4.892 4.340 0.001 0.000 0.280 219 R C 0.465 176.744 176.300 -0.035 0.000 1.077 219 R CA -0.239 55.947 56.100 0.144 0.000 1.065 219 R CB 0.802 31.156 30.300 0.091 0.000 1.003 219 R HN 0.818 nan 8.270 nan 0.000 0.470 220 G N -0.236 108.136 108.800 -0.713 0.000 2.535 220 G HA2 0.599 4.560 3.960 0.001 0.000 0.303 220 G HA3 0.599 4.560 3.960 0.001 0.000 0.303 220 G C -0.437 174.163 174.900 -0.499 0.000 1.237 220 G CA -0.172 44.068 45.100 -1.432 0.000 0.986 220 G HN 0.734 nan 8.290 nan 0.000 0.494 221 G N -1.511 107.084 108.800 -0.341 0.000 2.459 221 G HA2 -0.083 3.878 3.960 0.001 0.000 0.685 221 G HA3 -0.083 3.878 3.960 0.001 0.000 0.685 221 G C 0.391 175.332 174.900 0.069 0.000 1.303 221 G CA 0.388 45.413 45.100 -0.125 0.000 0.907 221 G HN 0.726 nan 8.290 nan 0.000 0.632 222 E N -0.299 119.931 120.200 0.050 0.000 2.106 222 E HA -0.078 4.273 4.350 0.001 0.000 0.192 222 E C 2.500 179.131 176.600 0.052 0.000 0.984 222 E CA 1.548 58.021 56.400 0.121 0.000 0.806 222 E CB -0.105 29.675 29.700 0.134 0.000 0.750 222 E HN 0.449 nan 8.360 nan 0.000 0.458 223 S N 0.986 116.690 115.700 0.006 0.000 2.348 223 S HA -0.158 4.313 4.470 0.001 0.000 0.221 223 S C 1.720 176.284 174.600 -0.061 0.000 1.033 223 S CA 1.105 59.289 58.200 -0.028 0.000 1.010 223 S CB -0.237 62.944 63.200 -0.032 0.000 0.891 223 S HN 0.292 nan 8.310 nan 0.000 0.442 224 E N 1.593 121.765 120.200 -0.048 0.000 2.051 224 E HA -0.097 4.254 4.350 0.001 0.000 0.192 224 E C 2.430 178.834 176.600 -0.327 0.000 0.991 224 E CA 1.113 57.458 56.400 -0.091 0.000 0.799 224 E CB -0.644 29.102 29.700 0.076 0.000 0.748 224 E HN 0.466 nan 8.360 nan 0.000 0.449 225 A N 1.629 124.242 122.820 -0.345 0.000 1.859 225 A HA -0.209 4.112 4.320 0.001 0.000 0.217 225 A C 2.438 179.810 177.584 -0.353 0.000 1.198 225 A CA 1.644 53.346 52.037 -0.559 0.000 0.629 225 A CB -0.969 18.026 19.000 -0.008 0.000 0.830 225 A HN 0.201 nan 8.150 nan 0.000 0.446 226 L N -1.074 120.040 121.223 -0.183 0.000 2.083 226 L HA -0.198 4.143 4.340 0.001 0.000 0.209 226 L C 2.677 179.445 176.870 -0.170 0.000 1.083 226 L CA 1.671 56.415 54.840 -0.159 0.000 0.752 226 L CB -0.422 41.562 42.059 -0.126 0.000 0.899 226 L HN 0.398 nan 8.230 nan 0.000 0.433 227 K N -0.125 120.176 120.400 -0.164 0.000 2.009 227 K HA -0.239 4.082 4.320 0.001 0.000 0.210 227 K C 2.275 178.772 176.600 -0.172 0.000 1.049 227 K CA 1.580 57.782 56.287 -0.141 0.000 0.929 227 K CB -0.183 32.249 32.500 -0.114 0.000 0.714 227 K HN 0.166 nan 8.250 nan 0.000 0.440 228 R N 1.043 121.398 120.500 -0.241 0.000 2.115 228 R HA -0.126 4.215 4.340 0.001 0.000 0.230 228 R C 2.329 178.479 176.300 -0.249 0.000 1.111 228 R CA 0.854 56.810 56.100 -0.239 0.000 0.976 228 R CB -0.184 29.936 30.300 -0.300 0.000 0.870 228 R HN 0.102 nan 8.270 nan 0.000 0.445 229 L N 0.787 121.824 121.223 -0.310 0.000 2.017 229 L HA -0.129 4.212 4.340 0.001 0.000 0.208 229 L C 1.870 178.588 176.870 -0.255 0.000 1.073 229 L CA 2.143 56.764 54.840 -0.365 0.000 0.745 229 L CB -0.810 40.979 42.059 -0.450 0.000 0.894 229 L HN 0.116 nan 8.230 nan 0.000 0.432 230 T N -0.181 114.259 114.554 -0.191 0.000 2.665 230 T HA -0.229 4.122 4.350 0.001 0.000 0.268 230 T C 1.900 176.536 174.700 -0.105 0.000 1.035 230 T CA 2.014 64.036 62.100 -0.129 0.000 1.151 230 T CB -0.190 68.620 68.868 -0.097 0.000 0.862 230 T HN 0.379 nan 8.240 nan 0.000 0.438 231 K N 0.764 121.096 120.400 -0.114 0.000 2.031 231 K HA 0.022 4.343 4.320 0.001 0.000 0.205 231 K C 2.838 179.378 176.600 -0.100 0.000 1.049 231 K CA 1.175 57.403 56.287 -0.100 0.000 0.939 231 K CB -0.215 32.221 32.500 -0.106 0.000 0.717 231 K HN 0.146 nan 8.250 nan 0.000 0.438 232 S N 1.629 117.262 115.700 -0.112 0.000 2.374 232 S HA -0.157 4.314 4.470 0.001 0.000 0.227 232 S C 1.879 176.521 174.600 0.070 0.000 1.037 232 S CA 1.675 59.837 58.200 -0.064 0.000 1.024 232 S CB -0.305 62.862 63.200 -0.055 0.000 0.861 232 S HN 0.443 nan 8.310 nan 0.000 0.456 233 I N 0.069 120.658 120.570 0.031 0.000 3.976 233 I HA 0.270 4.441 4.170 0.001 0.000 0.337 233 I C 1.752 177.909 176.117 0.066 0.000 1.359 233 I CA 0.235 61.596 61.300 0.102 0.000 1.098 233 I CB -0.092 37.919 38.000 0.018 0.000 1.027 233 I HN 0.156 nan 8.210 nan 0.000 0.394 234 S N 0.404 116.119 115.700 0.024 0.000 2.400 234 S HA -0.217 4.254 4.470 0.001 0.000 0.232 234 S C 1.156 175.787 174.600 0.053 0.000 1.025 234 S CA 1.180 59.388 58.200 0.013 0.000 0.993 234 S CB -0.578 62.611 63.200 -0.019 0.000 0.808 234 S HN 0.609 nan 8.310 nan 0.000 0.478 235 D N 1.685 122.145 120.400 0.100 0.000 2.522 235 D HA 0.258 4.899 4.640 0.001 0.000 0.218 235 D C 0.780 177.212 176.300 0.219 0.000 1.149 235 D CA -0.191 53.899 54.000 0.149 0.000 0.981 235 D CB 0.288 41.186 40.800 0.162 0.000 1.041 235 D HN 0.317 nan 8.370 nan 0.000 0.518 236 K N 1.465 121.951 120.400 0.144 0.000 2.144 236 K HA -0.242 4.079 4.320 0.001 0.000 0.209 236 K C 1.763 178.463 176.600 0.166 0.000 1.047 236 K CA 1.573 57.940 56.287 0.133 0.000 0.927 236 K CB 0.047 32.601 32.500 0.090 0.000 0.716 236 K HN 0.402 nan 8.250 nan 0.000 0.454 237 A N 0.551 123.476 122.820 0.176 0.000 1.898 237 A HA -0.179 4.142 4.320 0.001 0.000 0.216 237 A C 1.899 179.615 177.584 0.219 0.000 1.181 237 A CA 1.178 53.319 52.037 0.173 0.000 0.620 237 A CB -0.796 18.295 19.000 0.152 0.000 0.819 237 A HN 0.601 nan 8.150 nan 0.000 0.442 238 W N 0.697 122.067 121.300 0.116 0.000 2.358 238 W HA -0.192 4.469 4.660 0.001 0.000 0.303 238 W C 2.204 178.861 176.519 0.229 0.000 1.208 238 W CA 2.520 59.957 57.345 0.154 0.000 1.274 238 W CB -0.359 29.186 29.460 0.141 0.000 1.138 238 W HN 0.260 nan 8.180 nan 0.000 0.515 239 V N 1.315 121.313 119.914 0.140 0.000 2.515 239 V HA -0.100 4.021 4.120 0.001 0.000 0.250 239 V C 1.960 178.087 176.094 0.055 0.000 1.058 239 V CA 2.525 64.793 62.300 -0.053 0.000 1.064 239 V CB -1.080 30.773 31.823 0.052 0.000 0.675 239 V HN 0.201 nan 8.190 nan 0.000 0.461 240 A N 0.792 123.698 122.820 0.143 0.000 1.897 240 A HA -0.094 4.227 4.320 0.001 0.000 0.215 240 A C 1.974 179.637 177.584 0.131 0.000 1.181 240 A CA 1.683 53.849 52.037 0.216 0.000 0.620 240 A CB -0.708 18.420 19.000 0.213 0.000 0.821 240 A HN 0.664 nan 8.150 nan 0.000 0.443 241 N N -1.058 117.678 118.700 0.060 0.000 2.461 241 N HA 0.021 4.762 4.740 0.001 0.000 0.188 241 N C -0.031 175.454 175.510 -0.042 0.000 1.134 241 N CA -0.120 52.940 53.050 0.016 0.000 0.878 241 N CB -0.200 38.297 38.487 0.017 0.000 0.972 241 N HN 0.480 nan 8.380 nan 0.000 0.456 242 F N 2.828 122.612 119.950 -0.277 0.000 2.580 242 F HA -0.132 4.396 4.527 0.002 0.000 0.398 242 F C 0.247 175.956 175.800 -0.152 0.000 1.023 242 F CA 0.574 58.355 58.000 -0.365 0.000 1.188 242 F CB 0.343 39.060 39.000 -0.472 0.000 1.005 242 F HN -0.055 nan 8.300 nan 0.000 0.546 243 E N 6.371 126.213 120.200 -0.596 0.000 2.373 243 E HA 0.061 4.412 4.350 0.001 0.000 0.251 243 E C 0.441 176.769 176.600 -0.453 0.000 0.923 243 E CA -0.809 55.404 56.400 -0.313 0.000 0.798 243 E CB 1.614 31.232 29.700 -0.136 0.000 1.303 243 E HN 0.544 nan 8.360 nan 0.000 0.412 244 K N 1.891 122.111 120.400 -0.300 0.000 2.052 244 K HA -0.159 4.162 4.320 0.001 0.000 0.215 244 K C -0.915 175.651 176.600 -0.056 0.000 1.053 244 K CA 1.875 58.069 56.287 -0.154 0.000 0.934 244 K CB -0.934 31.583 32.500 0.029 0.000 0.717 244 K HN 0.307 nan 8.250 nan 0.000 0.450 245 P HA -0.134 nan 4.420 nan 0.000 0.218 245 P C 0.524 177.868 177.300 0.073 0.000 1.146 245 P CA 1.533 64.660 63.100 0.047 0.000 0.813 245 P CB 0.017 31.749 31.700 0.054 0.000 0.778 246 K N -0.907 119.503 120.400 0.016 0.000 2.404 246 K HA 0.177 4.498 4.320 0.001 0.000 0.194 246 K C 1.312 177.945 176.600 0.055 0.000 1.023 246 K CA -0.183 56.130 56.287 0.043 0.000 1.094 246 K CB -0.062 32.440 32.500 0.002 0.000 0.841 246 K HN 0.115 nan 8.250 nan 0.000 0.523 247 G N 1.117 109.946 108.800 0.047 0.000 2.667 247 G HA2 -0.053 3.907 3.960 0.001 0.000 0.250 247 G HA3 -0.053 3.907 3.960 0.001 0.000 0.250 247 G C -0.859 173.942 174.900 -0.164 0.000 1.212 247 G CA -0.300 44.823 45.100 0.039 0.000 0.874 247 G HN 0.064 nan 8.290 nan 0.000 0.561 248 D N 0.182 120.422 120.400 -0.267 0.000 2.392 248 D HA 0.294 4.935 4.640 0.001 0.000 0.228 248 D C -1.004 174.891 176.300 -0.676 0.000 1.074 248 D CA -2.361 51.366 54.000 -0.455 0.000 0.838 248 D CB 1.953 42.692 40.800 -0.100 0.000 1.067 248 D HN 0.050 nan 8.370 nan 0.000 0.511 249 P HA -0.127 nan 4.420 nan 0.000 0.222 249 P C 0.915 178.025 177.300 -0.317 0.000 1.147 249 P CA 0.668 63.416 63.100 -0.586 0.000 0.790 249 P CB 0.237 31.741 31.700 -0.326 0.000 0.780 250 S N -0.885 114.692 115.700 -0.204 0.000 2.527 250 S HA 0.219 4.690 4.470 0.001 0.000 0.222 250 S C 1.264 176.070 174.600 0.344 0.000 0.985 250 S CA -0.079 58.125 58.200 0.006 0.000 0.921 250 S CB -0.812 62.508 63.200 0.200 0.000 0.772 250 S HN 0.178 nan 8.310 nan 0.000 0.529 251 A N 1.446 124.396 122.820 0.218 0.000 2.404 251 A HA 0.567 4.888 4.320 0.001 0.000 0.273 251 A C 0.404 178.264 177.584 0.460 0.000 1.144 251 A CA -0.600 51.597 52.037 0.267 0.000 0.806 251 A CB -0.368 18.717 19.000 0.142 0.000 1.080 251 A HN 0.696 nan 8.150 nan 0.000 0.509 252 F N 0.912 121.048 119.950 0.311 0.000 2.658 252 F HA 0.239 4.767 4.527 0.002 0.000 0.293 252 F C 1.156 177.223 175.800 0.446 0.000 0.986 252 F CA -0.029 58.232 58.000 0.435 0.000 1.182 252 F CB -0.472 38.698 39.000 0.283 0.000 0.965 252 F HN 0.362 nan 8.300 nan 0.000 0.659 253 L N 0.918 121.734 121.223 -0.678 0.000 2.043 253 L HA -0.122 4.219 4.340 0.001 0.000 0.212 253 L C 0.964 177.781 176.870 -0.089 0.000 1.075 253 L CA 1.835 56.432 54.840 -0.405 0.000 0.752 253 L CB -0.282 41.460 42.059 -0.528 0.000 0.891 253 L HN 0.216 nan 8.230 nan 0.000 0.432 254 K N 0.086 120.460 120.400 -0.044 0.000 2.626 254 K HA 0.292 4.613 4.320 0.001 0.000 0.223 254 K C -2.442 174.227 176.600 0.115 0.000 0.992 254 K CA -1.838 54.458 56.287 0.015 0.000 1.024 254 K CB 1.366 33.837 32.500 -0.048 0.000 1.225 254 K HN -0.215 nan 8.250 nan 0.000 0.498 255 P HA -0.104 nan 4.420 nan 0.000 0.263 255 P C 0.229 177.702 177.300 0.288 0.000 1.175 255 P CA 0.250 63.559 63.100 0.348 0.000 0.761 255 P CB 0.949 32.809 31.700 0.266 0.000 0.794 256 A N 2.802 125.852 122.820 0.383 0.000 1.972 256 A HA -0.048 4.273 4.320 0.001 0.000 0.219 256 A C 1.126 179.045 177.584 0.558 0.000 1.169 256 A CA 1.964 54.226 52.037 0.374 0.000 0.635 256 A CB -1.007 18.156 19.000 0.272 0.000 0.810 256 A HN 0.642 nan 8.150 nan 0.000 0.446 257 T N -5.188 109.748 114.554 0.635 0.000 2.905 257 T HA 0.408 4.759 4.350 0.001 0.000 0.283 257 T C 1.171 176.151 174.700 0.468 0.000 1.031 257 T CA 0.317 62.852 62.100 0.726 0.000 1.002 257 T CB 0.890 70.183 68.868 0.709 0.000 1.200 257 T HN 0.404 nan 8.240 nan 0.000 0.560 258 T N -1.452 113.390 114.554 0.480 0.000 2.849 258 T HA -0.098 4.253 4.350 0.001 0.000 0.270 258 T C 1.369 176.094 174.700 0.042 0.000 1.066 258 T CA 0.997 63.239 62.100 0.237 0.000 1.130 258 T CB -1.122 67.913 68.868 0.279 0.000 0.864 258 T HN 1.339 nan 8.240 nan 0.000 0.481 259 V N 0.700 120.624 119.914 0.017 0.000 5.487 259 V HA -0.194 3.927 4.120 0.001 0.000 0.302 259 V C 1.231 177.256 176.094 -0.116 0.000 0.511 259 V CA 1.141 63.229 62.300 -0.353 0.000 0.684 259 V CB -2.413 28.820 31.823 -0.984 0.000 0.458 259 V HN 0.539 nan 8.190 nan 0.000 1.195 260 M N -0.111 119.562 119.600 0.122 0.000 2.514 260 M HA -0.001 4.480 4.480 0.001 0.000 0.258 260 M C 2.345 178.841 176.300 0.328 0.000 1.119 260 M CA 1.528 56.977 55.300 0.249 0.000 1.111 260 M CB -0.610 32.118 32.600 0.212 0.000 1.390 260 M HN 0.886 nan 8.290 nan 0.000 0.475 261 S N 2.062 117.908 115.700 0.243 0.000 2.390 261 S HA -0.137 4.334 4.470 0.001 0.000 0.234 261 S C -0.493 174.179 174.600 0.120 0.000 1.063 261 S CA 1.655 59.984 58.200 0.214 0.000 1.108 261 S CB -2.464 60.893 63.200 0.261 0.000 0.975 261 S HN 0.328 nan 8.310 nan 0.000 0.442 262 P HA -0.069 nan 4.420 nan 0.000 0.221 262 P C 0.860 178.161 177.300 0.002 0.000 1.150 262 P CA 1.144 64.085 63.100 -0.265 0.000 0.800 262 P CB -0.310 30.849 31.700 -0.901 0.000 0.787 263 Y N -0.171 120.308 120.300 0.299 0.000 2.263 263 Y HA -0.040 4.511 4.550 0.001 0.000 0.292 263 Y C 2.744 178.838 175.900 0.324 0.000 1.130 263 Y CA 0.706 59.037 58.100 0.385 0.000 1.179 263 Y CB -1.201 37.414 38.460 0.259 0.000 0.998 263 Y HN -0.207 nan 8.280 nan 0.000 0.532 264 L N 0.092 121.545 121.223 0.384 0.000 2.027 264 L HA -0.194 4.146 4.340 0.001 0.000 0.206 264 L C 2.666 179.689 176.870 0.254 0.000 1.074 264 L CA 1.281 56.291 54.840 0.283 0.000 0.745 264 L CB -0.502 41.704 42.059 0.245 0.000 0.898 264 L HN 0.117 nan 8.230 nan 0.000 0.433 265 K N 0.598 121.128 120.400 0.218 0.000 2.074 265 K HA -0.215 4.106 4.320 0.001 0.000 0.209 265 K C 1.849 178.514 176.600 0.109 0.000 1.048 265 K CA 1.926 58.299 56.287 0.142 0.000 0.926 265 K CB -0.186 32.274 32.500 -0.067 0.000 0.713 265 K HN 0.200 nan 8.250 nan 0.000 0.444 266 F N -0.167 119.943 119.950 0.267 0.000 2.776 266 F HA 0.196 4.724 4.527 0.001 0.000 0.300 266 F C 1.464 177.411 175.800 0.245 0.000 1.116 266 F CA 0.759 58.904 58.000 0.241 0.000 1.375 266 F CB 0.352 39.498 39.000 0.242 0.000 1.109 266 F HN 0.346 nan 8.300 nan 0.000 0.585 267 G N -0.784 108.278 108.800 0.436 0.000 2.147 267 G HA2 -0.312 3.649 3.960 0.001 0.000 0.244 267 G HA3 -0.312 3.649 3.960 0.001 0.000 0.244 267 G C 1.055 176.132 174.900 0.296 0.000 1.005 267 G CA 0.298 45.607 45.100 0.349 0.000 0.713 267 G HN 0.408 nan 8.290 nan 0.000 0.515 268 C N -1.069 118.451 119.300 0.367 0.000 2.432 268 C HA 0.375 4.836 4.460 0.001 0.000 0.280 268 C C 1.219 176.430 174.990 0.369 0.000 1.353 268 C CA 1.202 60.422 59.018 0.335 0.000 1.766 268 C CB -0.873 27.137 27.740 0.448 0.000 1.924 268 C HN 0.670 nan 8.230 nan 0.000 0.509 269 L N 0.032 121.485 121.223 0.383 0.000 2.365 269 L HA 0.486 4.827 4.340 0.001 0.000 0.273 269 L C 0.006 177.096 176.870 0.368 0.000 1.000 269 L CA 0.104 55.193 54.840 0.416 0.000 0.819 269 L CB 1.472 43.701 42.059 0.284 0.000 1.284 269 L HN -0.045 nan 8.230 nan 0.000 0.418 270 S N 1.608 117.593 115.700 0.475 0.000 2.548 270 S HA 0.213 4.684 4.470 0.001 0.000 0.277 270 S C 1.214 175.997 174.600 0.306 0.000 1.315 270 S CA 0.103 58.482 58.200 0.299 0.000 1.050 270 S CB 0.835 64.215 63.200 0.301 0.000 0.918 270 S HN 0.864 nan 8.310 nan 0.000 0.497 271 S N 5.069 120.874 115.700 0.175 0.000 2.428 271 S HA -0.040 4.431 4.470 0.001 0.000 0.230 271 S C 1.700 176.392 174.600 0.152 0.000 1.014 271 S CA 0.279 58.572 58.200 0.155 0.000 0.957 271 S CB -0.270 62.925 63.200 -0.008 0.000 0.784 271 S HN 0.803 nan 8.310 nan 0.000 0.499 272 R N 0.069 120.643 120.500 0.123 0.000 2.066 272 R HA 0.058 4.399 4.340 0.001 0.000 0.232 272 R C 2.232 178.689 176.300 0.261 0.000 1.131 272 R CA 1.469 57.634 56.100 0.109 0.000 0.955 272 R CB -0.808 29.524 30.300 0.054 0.000 0.851 272 R HN 0.504 nan 8.270 nan 0.000 0.432 273 Y N 0.531 120.935 120.300 0.173 0.000 2.181 273 Y HA -0.173 4.378 4.550 0.002 0.000 0.288 273 Y C 1.770 177.798 175.900 0.212 0.000 1.146 273 Y CA 1.009 59.209 58.100 0.167 0.000 1.164 273 Y CB -0.583 37.977 38.460 0.167 0.000 0.982 273 Y HN 0.075 nan 8.280 nan 0.000 0.515 274 F N -1.036 118.858 119.950 -0.093 0.000 2.161 274 F HA -0.333 4.194 4.527 0.001 0.000 0.300 274 F C 2.248 177.957 175.800 -0.153 0.000 1.089 274 F CA 1.268 59.144 58.000 -0.207 0.000 1.282 274 F CB -0.399 38.566 39.000 -0.058 0.000 1.010 274 F HN 0.205 nan 8.300 nan 0.000 0.485 275 Y N 1.528 121.825 120.300 -0.005 0.000 2.145 275 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 275 Y C 2.555 178.393 175.900 -0.103 0.000 1.145 275 Y CA 2.038 60.064 58.100 -0.124 0.000 1.148 275 Y CB -0.633 37.766 38.460 -0.101 0.000 0.981 275 Y HN 0.130 nan 8.280 nan 0.000 0.507 276 Q N -1.091 118.770 119.800 0.101 0.000 2.084 276 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 276 Q C 2.463 178.392 176.000 -0.119 0.000 0.978 276 Q CA 1.798 57.614 55.803 0.023 0.000 0.844 276 Q CB -0.636 28.192 28.738 0.150 0.000 0.898 276 Q HN 0.516 nan 8.270 nan 0.000 0.426 277 C N 0.802 119.993 119.300 -0.182 0.000 2.413 277 C HA -0.151 4.310 4.460 0.001 0.000 0.276 277 C C 2.648 177.481 174.990 -0.261 0.000 1.236 277 C CA 0.647 59.526 59.018 -0.232 0.000 1.735 277 C CB -1.105 26.424 27.740 -0.352 0.000 2.031 277 C HN 0.470 nan 8.230 nan 0.000 0.474 278 L N 0.031 121.055 121.223 -0.332 0.000 2.093 278 L HA -0.177 4.164 4.340 0.001 0.000 0.208 278 L C 2.746 179.134 176.870 -0.803 0.000 1.085 278 L CA 1.315 55.780 54.840 -0.626 0.000 0.755 278 L CB -0.785 40.853 42.059 -0.703 0.000 0.904 278 L HN 0.312 nan 8.230 nan 0.000 0.435 279 Q N 0.708 120.170 119.800 -0.563 0.000 2.061 279 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 279 Q C 1.865 177.747 176.000 -0.197 0.000 0.984 279 Q CA 1.940 57.520 55.803 -0.372 0.000 0.846 279 Q CB -0.254 28.314 28.738 -0.283 0.000 0.902 279 Q HN 0.503 nan 8.270 nan 0.000 0.421 280 N N -0.618 117.984 118.700 -0.165 0.000 2.043 280 N HA -0.163 4.578 4.740 0.001 0.000 0.193 280 N C 1.828 177.298 175.510 -0.066 0.000 1.037 280 N CA 1.408 54.410 53.050 -0.079 0.000 0.851 280 N CB -0.257 38.194 38.487 -0.059 0.000 1.027 280 N HN 0.224 nan 8.380 nan 0.000 0.422 281 I N 0.723 121.211 120.570 -0.138 0.000 2.151 281 I HA -0.355 3.816 4.170 0.001 0.000 0.243 281 I C 1.883 178.032 176.117 0.053 0.000 1.080 281 I CA 1.526 62.780 61.300 -0.076 0.000 1.339 281 I CB -0.602 37.307 38.000 -0.150 0.000 1.039 281 I HN 0.283 nan 8.210 nan 0.000 0.409 282 Y N 1.296 121.538 120.300 -0.096 0.000 2.151 282 Y HA -0.338 4.213 4.550 0.001 0.000 0.284 282 Y C 2.761 178.720 175.900 0.097 0.000 1.166 282 Y CA 1.393 59.457 58.100 -0.060 0.000 1.163 282 Y CB -0.323 37.934 38.460 -0.340 0.000 0.974 282 Y HN 0.289 nan 8.280 nan 0.000 0.511 283 K N -0.008 120.513 120.400 0.202 0.000 2.148 283 K HA -0.156 4.165 4.320 0.001 0.000 0.204 283 K C 0.691 177.354 176.600 0.106 0.000 1.050 283 K CA 1.962 58.331 56.287 0.136 0.000 0.942 283 K CB -0.178 32.372 32.500 0.083 0.000 0.724 283 K HN 0.101 nan 8.250 nan 0.000 0.446 284 D N 0.985 121.441 120.400 0.094 0.000 2.349 284 D HA 0.069 4.709 4.640 0.001 0.000 0.224 284 D C -0.492 175.861 176.300 0.087 0.000 1.029 284 D CA 0.290 54.334 54.000 0.072 0.000 0.879 284 D CB 0.508 41.339 40.800 0.051 0.000 0.906 284 D HN -0.008 nan 8.370 nan 0.000 0.528 285 V N 1.998 121.990 119.914 0.129 0.000 2.588 285 V HA 0.109 4.230 4.120 0.001 0.000 0.304 285 V C 1.165 177.321 176.094 0.103 0.000 1.042 285 V CA -0.974 61.404 62.300 0.129 0.000 0.877 285 V CB 2.476 34.411 31.823 0.188 0.000 0.996 285 V HN -0.094 nan 8.190 nan 0.000 0.425 286 K N 4.345 124.777 120.400 0.052 0.000 1.971 286 K HA -0.091 4.230 4.320 0.001 0.000 0.221 286 K C 0.365 176.932 176.600 -0.054 0.000 1.050 286 K CA 1.449 57.739 56.287 0.005 0.000 0.967 286 K CB -0.119 32.382 32.500 0.001 0.000 0.733 286 K HN 0.518 nan 8.250 nan 0.000 0.445 287 K N 0.560 120.923 120.400 -0.061 0.000 2.281 287 K HA 0.350 4.671 4.320 0.001 0.000 0.242 287 K C -0.789 175.745 176.600 -0.109 0.000 0.971 287 K CA -0.763 55.422 56.287 -0.171 0.000 0.834 287 K CB 1.643 34.072 32.500 -0.119 0.000 1.181 287 K HN 0.594 nan 8.250 nan 0.000 0.435 288 H N -3.005 115.997 119.070 -0.115 0.000 2.967 288 H HA 0.208 4.765 4.556 0.001 0.000 0.318 288 H C -1.002 174.207 175.328 -0.197 0.000 1.375 288 H CA -1.073 54.879 56.048 -0.159 0.000 1.132 288 H CB 0.158 29.744 29.762 -0.294 0.000 1.848 288 H HN 0.543 nan 8.280 nan 0.000 0.524 289 T N -0.259 114.356 114.554 0.102 0.000 2.898 289 T HA 0.562 4.913 4.350 0.001 0.000 0.301 289 T C 0.131 174.875 174.700 0.073 0.000 1.049 289 T CA -0.403 61.736 62.100 0.066 0.000 1.095 289 T CB 0.875 69.791 68.868 0.080 0.000 0.976 289 T HN 0.604 nan 8.240 nan 0.000 0.539 290 S N 2.270 118.001 115.700 0.050 0.000 2.739 290 S HA 0.659 5.130 4.470 0.001 0.000 0.306 290 S C -2.463 172.187 174.600 0.084 0.000 1.115 290 S CA -1.375 56.854 58.200 0.049 0.000 0.985 290 S CB 1.446 64.666 63.200 0.033 0.000 1.133 290 S HN 0.733 nan 8.310 nan 0.000 0.541 291 P HA 0.194 nan 4.420 nan 0.000 0.272 291 P C -1.951 175.443 177.300 0.158 0.000 1.230 291 P CA -1.090 62.104 63.100 0.157 0.000 0.788 291 P CB -0.015 31.803 31.700 0.196 0.000 0.949 292 P HA -0.068 nan 4.420 nan 0.000 0.221 292 P C 1.540 178.928 177.300 0.147 0.000 1.155 292 P CA 0.991 64.100 63.100 0.015 0.000 0.812 292 P CB -0.259 31.302 31.700 -0.231 0.000 0.801 293 V N -0.320 119.683 119.914 0.149 0.000 2.469 293 V HA -0.130 3.990 4.120 0.001 0.000 0.251 293 V C 1.455 177.703 176.094 0.257 0.000 1.064 293 V CA 1.294 63.694 62.300 0.166 0.000 1.066 293 V CB -2.151 29.731 31.823 0.098 0.000 0.667 293 V HN 0.253 nan 8.190 nan 0.000 0.461 294 S N 0.428 116.260 115.700 0.220 0.000 2.560 294 S HA 0.084 4.555 4.470 0.001 0.000 0.276 294 S C 0.829 175.564 174.600 0.225 0.000 1.350 294 S CA 0.341 58.690 58.200 0.248 0.000 1.024 294 S CB 0.866 64.147 63.200 0.134 0.000 0.864 294 S HN 0.581 nan 8.310 nan 0.000 0.536 295 L N 1.772 122.976 121.223 -0.032 0.000 2.141 295 L HA 0.121 4.462 4.340 0.001 0.000 0.209 295 L C 2.060 178.749 176.870 -0.301 0.000 1.094 295 L CA 1.526 55.999 54.840 -0.612 0.000 0.763 295 L CB -0.932 40.489 42.059 -1.063 0.000 0.908 295 L HN 0.887 nan 8.230 nan 0.000 0.437 296 L N -0.923 120.231 121.223 -0.116 0.000 2.156 296 L HA 0.061 4.402 4.340 0.001 0.000 0.208 296 L C 2.259 179.138 176.870 0.015 0.000 1.095 296 L CA 1.492 56.265 54.840 -0.112 0.000 0.770 296 L CB -0.875 41.191 42.059 0.011 0.000 0.914 296 L HN 0.294 nan 8.230 nan 0.000 0.439 297 G N -0.986 107.867 108.800 0.088 0.000 2.448 297 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 297 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 297 G C 1.357 176.357 174.900 0.168 0.000 1.127 297 G CA 0.470 45.661 45.100 0.152 0.000 0.766 297 G HN 0.399 nan 8.290 nan 0.000 0.552 298 Q N 0.268 120.161 119.800 0.156 0.000 2.079 298 Q HA 0.067 4.408 4.340 0.001 0.000 0.200 298 Q C 2.696 178.801 176.000 0.176 0.000 0.974 298 Q CA 0.626 56.566 55.803 0.228 0.000 0.840 298 Q CB -0.604 28.192 28.738 0.097 0.000 0.898 298 Q HN 0.501 nan 8.270 nan 0.000 0.430 299 L N -0.033 121.208 121.223 0.030 0.000 2.353 299 L HA -0.152 4.189 4.340 0.001 0.000 0.220 299 L C 1.758 178.712 176.870 0.139 0.000 1.133 299 L CA 0.287 55.144 54.840 0.029 0.000 0.798 299 L CB -0.269 41.736 42.059 -0.090 0.000 0.922 299 L HN 0.172 nan 8.230 nan 0.000 0.445 300 L N -2.013 119.309 121.223 0.165 0.000 2.307 300 L HA -0.028 4.312 4.340 0.001 0.000 0.211 300 L C 1.988 178.933 176.870 0.125 0.000 1.099 300 L CA 1.378 56.301 54.840 0.138 0.000 0.816 300 L CB -0.754 41.338 42.059 0.056 0.000 0.952 300 L HN 0.213 nan 8.230 nan 0.000 0.455 301 W N 0.090 121.567 121.300 0.294 0.000 2.363 301 W HA -0.164 4.497 4.660 0.002 0.000 0.296 301 W C 2.868 179.524 176.519 0.228 0.000 1.212 301 W CA 1.189 58.661 57.345 0.212 0.000 1.260 301 W CB -0.104 29.389 29.460 0.055 0.000 1.131 301 W HN 0.054 nan 8.180 nan 0.000 0.530 302 R N 0.776 121.547 120.500 0.451 0.000 2.070 302 R HA -0.190 4.151 4.340 0.001 0.000 0.233 302 R C 2.061 178.591 176.300 0.382 0.000 1.137 302 R CA 1.822 58.185 56.100 0.438 0.000 0.945 302 R CB -0.383 30.098 30.300 0.302 0.000 0.845 302 R HN 0.008 nan 8.270 nan 0.000 0.430 303 E N 0.192 120.503 120.200 0.184 0.000 2.085 303 E HA -0.232 4.118 4.350 0.001 0.000 0.194 303 E C 1.710 178.124 176.600 -0.311 0.000 0.994 303 E CA 1.274 57.716 56.400 0.070 0.000 0.801 303 E CB -0.473 29.353 29.700 0.210 0.000 0.743 303 E HN 0.363 nan 8.360 nan 0.000 0.453 304 F N 0.419 119.895 119.950 -0.791 0.000 2.134 304 F HA -0.159 4.369 4.527 0.001 0.000 0.299 304 F C 2.088 177.676 175.800 -0.353 0.000 1.097 304 F CA 1.265 58.655 58.000 -1.016 0.000 1.264 304 F CB -0.496 38.020 39.000 -0.807 0.000 1.001 304 F HN -0.081 nan 8.300 nan 0.000 0.479 305 F N -1.682 118.131 119.950 -0.229 0.000 2.259 305 F HA -0.137 4.391 4.527 0.001 0.000 0.298 305 F C 2.068 177.726 175.800 -0.236 0.000 1.088 305 F CA 0.792 58.620 58.000 -0.288 0.000 1.358 305 F CB -0.674 38.297 39.000 -0.048 0.000 1.040 305 F HN -0.049 nan 8.300 nan 0.000 0.505 306 Y N 0.291 120.624 120.300 0.055 0.000 2.200 306 Y HA -0.234 4.317 4.550 0.002 0.000 0.290 306 Y C 2.658 178.599 175.900 0.069 0.000 1.137 306 Y CA 1.988 60.148 58.100 0.100 0.000 1.163 306 Y CB -0.829 37.721 38.460 0.150 0.000 0.988 306 Y HN -0.105 nan 8.280 nan 0.000 0.518 307 T N -1.138 113.516 114.554 0.167 0.000 2.777 307 T HA -0.146 4.205 4.350 0.001 0.000 0.266 307 T C 1.846 176.612 174.700 0.111 0.000 1.040 307 T CA 1.906 64.129 62.100 0.204 0.000 1.141 307 T CB -0.434 68.629 68.868 0.325 0.000 0.868 307 T HN 0.356 nan 8.240 nan 0.000 0.444 308 T N 2.137 116.619 114.554 -0.121 0.000 2.708 308 T HA -0.041 4.309 4.350 0.001 0.000 0.266 308 T C 2.393 176.926 174.700 -0.278 0.000 1.037 308 T CA 1.186 63.215 62.100 -0.120 0.000 1.146 308 T CB -0.607 68.175 68.868 -0.145 0.000 0.865 308 T HN 0.408 nan 8.240 nan 0.000 0.435 309 A N 1.263 123.659 122.820 -0.707 0.000 1.883 309 A HA -0.094 4.227 4.320 0.001 0.000 0.217 309 A C 2.041 179.514 177.584 -0.185 0.000 1.186 309 A CA 1.646 52.950 52.037 -1.222 0.000 0.624 309 A CB -1.105 17.246 19.000 -1.081 0.000 0.822 309 A HN 0.490 nan 8.150 nan 0.000 0.444 310 F N 1.037 120.957 119.950 -0.050 0.000 2.171 310 F HA -0.010 4.518 4.527 0.001 0.000 0.300 310 F C 1.982 177.840 175.800 0.097 0.000 1.090 310 F CA 1.549 59.611 58.000 0.104 0.000 1.293 310 F CB -0.314 38.783 39.000 0.162 0.000 1.013 310 F HN 0.177 nan 8.300 nan 0.000 0.486 311 G N -0.584 108.270 108.800 0.090 0.000 3.284 311 G HA2 0.174 4.135 3.960 0.001 0.000 0.236 311 G HA3 0.174 4.135 3.960 0.001 0.000 0.236 311 G C -0.263 174.657 174.900 0.034 0.000 1.158 311 G CA 0.184 45.297 45.100 0.022 0.000 0.774 311 G HN 0.231 nan 8.290 nan 0.000 0.545 312 T N 2.092 116.677 114.554 0.052 0.000 2.847 312 T HA 0.432 4.783 4.350 0.001 0.000 0.291 312 T C -2.851 171.975 174.700 0.210 0.000 0.998 312 T CA -1.047 61.148 62.100 0.158 0.000 0.967 312 T CB 2.637 71.685 68.868 0.299 0.000 0.954 312 T HN -0.154 nan 8.240 nan 0.000 0.441 313 P HA 0.230 nan 4.420 nan 0.000 0.271 313 P C 0.261 177.691 177.300 0.216 0.000 1.220 313 P CA -0.048 63.146 63.100 0.156 0.000 0.768 313 P CB 0.273 32.032 31.700 0.098 0.000 0.848 314 N N 1.200 120.048 118.700 0.246 0.000 2.776 314 N HA -0.236 4.505 4.740 0.001 0.000 0.250 314 N C 0.602 176.307 175.510 0.326 0.000 1.112 314 N CA 0.360 53.562 53.050 0.255 0.000 0.733 314 N CB -1.755 36.834 38.487 0.171 0.000 1.097 314 N HN 0.398 nan 8.380 nan 0.000 0.558 315 F N 2.582 122.678 119.950 0.244 0.000 2.147 315 F HA -0.231 4.297 4.527 0.002 0.000 0.301 315 F C 1.906 177.816 175.800 0.183 0.000 1.084 315 F CA 2.395 60.506 58.000 0.185 0.000 1.268 315 F CB 0.021 39.103 39.000 0.137 0.000 1.009 315 F HN 0.175 nan 8.300 nan 0.000 0.486 316 D N -0.163 120.405 120.400 0.280 0.000 2.325 316 D HA 0.048 4.689 4.640 0.001 0.000 0.234 316 D C -0.085 176.322 176.300 0.178 0.000 1.122 316 D CA -0.048 54.066 54.000 0.190 0.000 0.850 316 D CB -0.608 40.413 40.800 0.369 0.000 0.921 316 D HN 0.397 nan 8.370 nan 0.000 0.513 317 K N -1.234 119.282 120.400 0.192 0.000 2.536 317 K HA 0.285 4.606 4.320 0.001 0.000 0.269 317 K C 0.115 176.816 176.600 0.169 0.000 0.965 317 K CA -0.915 55.370 56.287 -0.003 0.000 0.860 317 K CB 1.584 34.074 32.500 -0.017 0.000 1.423 317 K HN -0.063 nan 8.250 nan 0.000 0.438 318 M N 0.965 120.620 119.600 0.091 0.000 2.123 318 M HA 0.018 4.499 4.480 0.001 0.000 0.263 318 M C 0.031 176.438 176.300 0.177 0.000 1.069 318 M CA 1.397 56.870 55.300 0.288 0.000 1.133 318 M CB 0.166 32.946 32.600 0.301 0.000 1.356 318 M HN 0.539 nan 8.290 nan 0.000 0.415 319 K N 0.968 121.430 120.400 0.103 0.000 2.383 319 K HA 0.221 4.541 4.320 0.001 0.000 0.286 319 K C 0.592 177.239 176.600 0.077 0.000 1.051 319 K CA 0.549 56.883 56.287 0.077 0.000 0.974 319 K CB 0.203 32.730 32.500 0.044 0.000 0.968 319 K HN 0.612 nan 8.250 nan 0.000 0.475 320 G N 2.387 111.232 108.800 0.075 0.000 2.195 320 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 320 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 320 G C 0.013 174.970 174.900 0.095 0.000 0.984 320 G CA -0.333 44.812 45.100 0.075 0.000 0.633 320 G HN 0.628 nan 8.290 nan 0.000 0.525 321 N N 1.149 119.917 118.700 0.115 0.000 2.406 321 N HA 0.241 4.981 4.740 0.001 0.000 0.251 321 N C 1.900 177.468 175.510 0.097 0.000 1.069 321 N CA 0.047 53.176 53.050 0.132 0.000 0.947 321 N CB 0.509 39.095 38.487 0.164 0.000 1.111 321 N HN 0.650 nan 8.380 nan 0.000 0.497 322 R N 4.117 124.670 120.500 0.089 0.000 2.120 322 R HA -0.080 4.261 4.340 0.001 0.000 0.234 322 R C 1.561 177.884 176.300 0.038 0.000 1.123 322 R CA 1.289 57.424 56.100 0.058 0.000 0.975 322 R CB -0.519 29.817 30.300 0.059 0.000 0.866 322 R HN 0.653 nan 8.270 nan 0.000 0.446 323 I N -1.542 119.054 120.570 0.043 0.000 3.793 323 I HA 0.221 4.392 4.170 0.001 0.000 0.315 323 I C 0.306 176.390 176.117 -0.055 0.000 1.275 323 I CA -0.647 60.642 61.300 -0.018 0.000 1.214 323 I CB 0.224 38.201 38.000 -0.039 0.000 1.018 323 I HN 0.087 nan 8.210 nan 0.000 0.439 324 C N 2.582 121.885 119.300 0.005 0.000 2.329 324 C HA 0.415 4.876 4.460 0.001 0.000 0.329 324 C C 0.526 175.552 174.990 0.059 0.000 1.275 324 C CA -0.678 58.359 59.018 0.031 0.000 1.726 324 C CB 0.694 28.509 27.740 0.125 0.000 2.291 324 C HN 0.359 nan 8.230 nan 0.000 0.514 325 K N 3.982 124.416 120.400 0.057 0.000 2.350 325 K HA 0.192 4.512 4.320 0.001 0.000 0.279 325 K C -0.105 176.548 176.600 0.088 0.000 1.027 325 K CA 0.053 56.351 56.287 0.018 0.000 0.969 325 K CB 0.542 33.009 32.500 -0.055 0.000 0.954 325 K HN 0.647 nan 8.250 nan 0.000 0.474 326 Q N 3.348 123.168 119.800 0.033 0.000 2.337 326 Q HA 0.277 4.618 4.340 0.001 0.000 0.255 326 Q C -0.257 175.716 176.000 -0.046 0.000 0.997 326 Q CA 0.215 56.041 55.803 0.037 0.000 0.925 326 Q CB 0.464 29.212 28.738 0.017 0.000 1.212 326 Q HN 0.457 nan 8.270 nan 0.000 0.436 327 I N 4.766 125.258 120.570 -0.130 0.000 2.498 327 I HA 0.246 4.416 4.170 0.001 0.000 0.290 327 I C -2.041 173.677 176.117 -0.665 0.000 1.032 327 I CA -2.343 58.665 61.300 -0.487 0.000 1.073 327 I CB 2.706 40.187 38.000 -0.866 0.000 1.251 327 I HN 0.250 nan 8.210 nan 0.000 0.426 328 P HA -0.012 nan 4.420 nan 0.000 0.235 328 P C -0.844 176.349 177.300 -0.179 0.000 1.765 328 P CA -0.075 62.902 63.100 -0.207 0.000 1.034 328 P CB -0.602 31.054 31.700 -0.073 0.000 1.984 329 W N 1.715 122.916 121.300 -0.165 0.000 2.137 329 W HA 0.093 4.754 4.660 0.002 0.000 0.344 329 W C 0.952 177.448 176.519 -0.038 0.000 1.286 329 W CA -0.385 56.793 57.345 -0.279 0.000 1.240 329 W CB -0.073 29.099 29.460 -0.479 0.000 1.141 329 W HN 0.164 nan 8.180 nan 0.000 0.579 330 N N 2.457 121.330 118.700 0.289 0.000 2.524 330 N HA 0.172 4.912 4.740 0.001 0.000 0.283 330 N C -0.414 175.175 175.510 0.131 0.000 1.142 330 N CA -0.378 52.787 53.050 0.191 0.000 0.984 330 N CB 0.812 39.406 38.487 0.179 0.000 1.155 330 N HN 0.363 nan 8.380 nan 0.000 0.467 331 E N 0.564 120.818 120.200 0.090 0.000 2.195 331 E HA 0.339 4.690 4.350 0.001 0.000 0.271 331 E C -0.931 175.696 176.600 0.046 0.000 0.923 331 E CA -0.406 56.027 56.400 0.055 0.000 0.790 331 E CB 1.839 31.568 29.700 0.048 0.000 1.155 331 E HN 0.440 nan 8.360 nan 0.000 0.402 332 D N 1.652 122.070 120.400 0.029 0.000 2.686 332 D HA -0.046 4.595 4.640 0.001 0.000 0.229 332 D C 0.930 177.187 176.300 -0.073 0.000 1.391 332 D CA -0.216 53.770 54.000 -0.024 0.000 0.948 332 D CB -0.273 40.505 40.800 -0.037 0.000 1.513 332 D HN 0.615 nan 8.370 nan 0.000 0.522 333 H N 1.789 120.861 119.070 0.003 0.000 2.362 333 H HA -0.211 4.346 4.556 0.002 0.000 0.294 333 H C 1.451 176.771 175.328 -0.013 0.000 1.113 333 H CA 1.808 57.853 56.048 -0.006 0.000 1.253 333 H CB -0.653 29.118 29.762 0.014 0.000 1.363 333 H HN 0.285 nan 8.280 nan 0.000 0.494 334 A N 2.098 124.578 122.820 -0.568 0.000 1.873 334 A HA -0.180 4.141 4.320 0.001 0.000 0.218 334 A C 2.926 180.451 177.584 -0.099 0.000 1.193 334 A CA 2.357 54.232 52.037 -0.270 0.000 0.629 334 A CB -0.790 18.031 19.000 -0.297 0.000 0.826 334 A HN 0.431 nan 8.150 nan 0.000 0.447 335 M N -1.549 118.001 119.600 -0.082 0.000 2.067 335 M HA -0.134 4.347 4.480 0.001 0.000 0.260 335 M C 2.310 178.656 176.300 0.076 0.000 1.069 335 M CA 1.712 57.019 55.300 0.012 0.000 1.117 335 M CB -0.673 31.931 32.600 0.006 0.000 1.334 335 M HN 0.474 nan 8.290 nan 0.000 0.407 336 L N 1.027 122.274 121.223 0.040 0.000 1.997 336 L HA -0.219 4.122 4.340 0.001 0.000 0.216 336 L C 2.594 179.547 176.870 0.139 0.000 1.074 336 L CA 2.475 57.369 54.840 0.090 0.000 0.763 336 L CB -1.005 41.068 42.059 0.024 0.000 0.890 336 L HN 0.267 nan 8.230 nan 0.000 0.434 337 A N -0.571 122.252 122.820 0.005 0.000 1.873 337 A HA -0.217 4.104 4.320 0.001 0.000 0.218 337 A C 2.485 180.070 177.584 0.001 0.000 1.193 337 A CA 2.551 54.539 52.037 -0.082 0.000 0.629 337 A CB -1.442 17.477 19.000 -0.136 0.000 0.826 337 A HN 0.672 nan 8.150 nan 0.000 0.447 338 A N -1.533 121.317 122.820 0.051 0.000 1.892 338 A HA -0.236 4.085 4.320 0.001 0.000 0.218 338 A C 2.022 179.681 177.584 0.124 0.000 1.188 338 A CA 1.914 53.994 52.037 0.072 0.000 0.631 338 A CB -1.049 18.012 19.000 0.102 0.000 0.822 338 A HN 0.933 nan 8.150 nan 0.000 0.447 339 W N 0.443 121.764 121.300 0.036 0.000 2.380 339 W HA -0.159 4.502 4.660 0.001 0.000 0.317 339 W C 2.458 178.986 176.519 0.015 0.000 1.196 339 W CA 2.085 59.467 57.345 0.062 0.000 1.307 339 W CB -0.319 29.222 29.460 0.136 0.000 1.157 339 W HN 0.284 nan 8.180 nan 0.000 0.483 340 R N 0.357 120.918 120.500 0.103 0.000 2.117 340 R HA -0.187 4.154 4.340 0.001 0.000 0.243 340 R C 0.750 176.922 176.300 -0.214 0.000 1.143 340 R CA 2.154 58.173 56.100 -0.136 0.000 0.968 340 R CB -0.867 29.451 30.300 0.032 0.000 0.863 340 R HN 0.187 nan 8.270 nan 0.000 0.444 341 D N -0.985 119.332 120.400 -0.140 0.000 2.340 341 D HA 0.119 4.760 4.640 0.001 0.000 0.217 341 D C 0.385 176.609 176.300 -0.126 0.000 1.081 341 D CA 0.803 54.732 54.000 -0.118 0.000 0.842 341 D CB 0.471 41.225 40.800 -0.076 0.000 0.934 341 D HN 0.470 nan 8.370 nan 0.000 0.511 342 G N 2.253 110.945 108.800 -0.180 0.000 2.351 342 G HA2 -0.266 3.694 3.960 0.001 0.000 0.297 342 G HA3 -0.266 3.694 3.960 0.001 0.000 0.297 342 G C 0.411 175.266 174.900 -0.075 0.000 1.054 342 G CA -0.115 44.894 45.100 -0.152 0.000 1.123 342 G HN 0.161 nan 8.290 nan 0.000 0.512 343 K N 0.103 120.462 120.400 -0.068 0.000 3.012 343 K HA 0.177 4.497 4.320 0.001 0.000 0.207 343 K C 1.623 178.189 176.600 -0.057 0.000 1.130 343 K CA 0.480 56.711 56.287 -0.094 0.000 1.021 343 K CB 0.378 32.832 32.500 -0.075 0.000 0.736 343 K HN 0.590 nan 8.250 nan 0.000 0.448 344 T N -3.120 111.442 114.554 0.012 0.000 3.088 344 T HA 0.096 4.446 4.350 0.001 0.000 0.259 344 T C 1.446 176.237 174.700 0.151 0.000 1.122 344 T CA 1.004 63.200 62.100 0.160 0.000 1.095 344 T CB 0.135 69.123 68.868 0.200 0.000 0.930 344 T HN 0.403 nan 8.240 nan 0.000 0.508 345 G N 0.475 109.246 108.800 -0.047 0.000 2.199 345 G HA2 -0.246 3.715 3.960 0.001 0.000 0.254 345 G HA3 -0.246 3.715 3.960 0.001 0.000 0.254 345 G C -0.165 174.832 174.900 0.161 0.000 0.982 345 G CA 0.048 45.062 45.100 -0.143 0.000 0.632 345 G HN 0.621 nan 8.290 nan 0.000 0.529 346 Y N 0.699 121.162 120.300 0.272 0.000 2.504 346 Y HA 0.453 5.004 4.550 0.001 0.000 0.339 346 Y C -0.967 175.139 175.900 0.345 0.000 0.974 346 Y CA -1.894 56.429 58.100 0.371 0.000 1.232 346 Y CB 1.705 40.309 38.460 0.240 0.000 1.108 346 Y HN -0.022 nan 8.280 nan 0.000 0.509 347 P HA -0.294 nan 4.420 nan 0.000 0.218 347 P C 1.692 179.171 177.300 0.299 0.000 1.154 347 P CA 1.826 65.080 63.100 0.257 0.000 0.872 347 P CB 0.072 31.788 31.700 0.027 0.000 0.790 348 W N 0.054 121.473 121.300 0.197 0.000 2.354 348 W HA -0.193 4.468 4.660 0.001 0.000 0.315 348 W C 1.617 178.206 176.519 0.117 0.000 1.206 348 W CA 0.918 58.393 57.345 0.217 0.000 1.290 348 W CB -0.461 29.214 29.460 0.359 0.000 1.152 348 W HN -0.184 nan 8.180 nan 0.000 0.489 349 I N 1.338 121.946 120.570 0.062 0.000 2.179 349 I HA -0.287 3.884 4.170 0.001 0.000 0.242 349 I C 1.952 177.927 176.117 -0.236 0.000 1.088 349 I CA 1.759 62.912 61.300 -0.245 0.000 1.357 349 I CB -1.735 35.987 38.000 -0.463 0.000 1.051 349 I HN 0.001 nan 8.210 nan 0.000 0.409 350 D N 0.991 121.350 120.400 -0.069 0.000 2.144 350 D HA -0.076 4.565 4.640 0.001 0.000 0.200 350 D C 2.266 178.495 176.300 -0.119 0.000 0.978 350 D CA 1.410 55.371 54.000 -0.065 0.000 0.833 350 D CB 0.015 40.889 40.800 0.123 0.000 0.961 350 D HN 0.303 nan 8.370 nan 0.000 0.470 351 A N 0.735 123.505 122.820 -0.085 0.000 1.898 351 A HA -0.102 4.219 4.320 0.001 0.000 0.216 351 A C 2.351 179.702 177.584 -0.388 0.000 1.181 351 A CA 0.721 52.657 52.037 -0.168 0.000 0.620 351 A CB -0.609 18.383 19.000 -0.013 0.000 0.819 351 A HN 0.163 nan 8.150 nan 0.000 0.442 352 I N -0.676 119.698 120.570 -0.326 0.000 2.179 352 I HA -0.271 3.900 4.170 0.001 0.000 0.242 352 I C 2.494 178.329 176.117 -0.470 0.000 1.088 352 I CA 1.176 62.213 61.300 -0.438 0.000 1.357 352 I CB -0.333 37.339 38.000 -0.546 0.000 1.051 352 I HN 0.232 nan 8.210 nan 0.000 0.409 353 M N -0.046 119.301 119.600 -0.422 0.000 2.213 353 M HA -0.123 4.358 4.480 0.001 0.000 0.263 353 M C 2.392 178.481 176.300 -0.352 0.000 1.062 353 M CA 1.441 56.489 55.300 -0.420 0.000 1.105 353 M CB -1.159 31.151 32.600 -0.484 0.000 1.385 353 M HN 0.109 nan 8.290 nan 0.000 0.417 354 V N -0.032 119.678 119.914 -0.340 0.000 2.453 354 V HA -0.236 3.884 4.120 0.001 0.000 0.247 354 V C 2.440 178.308 176.094 -0.377 0.000 1.048 354 V CA 1.692 63.835 62.300 -0.262 0.000 1.049 354 V CB -0.764 30.965 31.823 -0.157 0.000 0.672 354 V HN 0.536 nan 8.190 nan 0.000 0.457 355 Q N -0.323 118.995 119.800 -0.804 0.000 2.224 355 Q HA -0.220 4.121 4.340 0.001 0.000 0.203 355 Q C 2.176 177.922 176.000 -0.423 0.000 0.970 355 Q CA 1.570 56.738 55.803 -1.058 0.000 0.865 355 Q CB -0.135 27.539 28.738 -1.772 0.000 0.922 355 Q HN 0.574 nan 8.270 nan 0.000 0.445 356 L N 0.503 121.502 121.223 -0.374 0.000 2.046 356 L HA -0.132 4.209 4.340 0.001 0.000 0.208 356 L C 2.013 178.814 176.870 -0.116 0.000 1.077 356 L CA 1.479 56.165 54.840 -0.256 0.000 0.747 356 L CB -0.604 41.256 42.059 -0.331 0.000 0.896 356 L HN 0.402 nan 8.230 nan 0.000 0.432 357 L N -1.041 120.116 121.223 -0.110 0.000 2.179 357 L HA -0.038 4.303 4.340 0.001 0.000 0.208 357 L C 2.193 179.104 176.870 0.068 0.000 1.096 357 L CA 1.543 56.370 54.840 -0.022 0.000 0.779 357 L CB -0.683 41.353 42.059 -0.037 0.000 0.922 357 L HN 0.154 nan 8.230 nan 0.000 0.443 358 K N -1.521 118.950 120.400 0.119 0.000 2.099 358 K HA -0.033 4.288 4.320 0.001 0.000 0.203 358 K C 1.919 178.798 176.600 0.465 0.000 1.047 358 K CA 1.098 57.555 56.287 0.283 0.000 0.963 358 K CB -0.508 32.217 32.500 0.374 0.000 0.759 358 K HN 0.322 nan 8.250 nan 0.000 0.451 359 W N 0.473 121.871 121.300 0.163 0.000 2.588 359 W HA 0.197 4.858 4.660 0.002 0.000 0.277 359 W C 1.143 177.830 176.519 0.280 0.000 1.221 359 W CA 0.915 58.418 57.345 0.265 0.000 1.355 359 W CB -0.550 29.156 29.460 0.411 0.000 1.083 359 W HN 0.425 nan 8.180 nan 0.000 0.581 360 G N -1.037 107.997 108.800 0.390 0.000 2.136 360 G HA2 -0.281 3.680 3.960 0.001 0.000 0.242 360 G HA3 -0.281 3.680 3.960 0.001 0.000 0.242 360 G C -0.543 174.529 174.900 0.287 0.000 0.989 360 G CA 0.055 45.291 45.100 0.228 0.000 0.682 360 G HN 0.245 nan 8.290 nan 0.000 0.522 361 W N -0.646 120.751 121.300 0.162 0.000 3.479 361 W HA 0.712 5.373 4.660 0.002 0.000 0.304 361 W C -1.138 175.439 176.519 0.096 0.000 1.243 361 W CA -1.121 56.288 57.345 0.107 0.000 1.202 361 W CB 1.015 30.578 29.460 0.170 0.000 1.346 361 W HN 0.173 nan 8.180 nan 0.000 0.539 362 M N 4.920 124.003 119.600 -0.861 0.000 2.520 362 M HA 0.252 4.733 4.480 0.001 0.000 0.283 362 M C -0.228 175.145 176.300 -1.545 0.000 1.237 362 M CA -0.817 53.971 55.300 -0.854 0.000 0.885 362 M CB 1.742 34.010 32.600 -0.554 0.000 1.727 362 M HN 0.450 nan 8.290 nan 0.000 0.468 363 H N 0.721 119.161 119.070 -1.049 0.000 2.852 363 H HA -0.004 4.552 4.556 0.001 0.000 0.362 363 H C 0.510 175.570 175.328 -0.447 0.000 1.122 363 H CA 1.182 56.861 56.048 -0.615 0.000 1.419 363 H CB 0.647 30.332 29.762 -0.129 0.000 1.401 363 H HN 0.855 nan 8.280 nan 0.000 0.609 364 H N 2.897 121.371 119.070 -0.994 0.000 2.289 364 H HA -0.178 4.379 4.556 0.002 0.000 0.294 364 H C 1.989 177.063 175.328 -0.423 0.000 1.095 364 H CA 2.402 58.062 56.048 -0.648 0.000 1.256 364 H CB 0.051 29.421 29.762 -0.653 0.000 1.359 364 H HN 0.466 nan 8.280 nan 0.000 0.487 365 L N 0.179 121.289 121.223 -0.188 0.000 2.191 365 L HA -0.081 4.260 4.340 0.001 0.000 0.212 365 L C 2.630 179.358 176.870 -0.238 0.000 1.103 365 L CA 1.698 56.392 54.840 -0.244 0.000 0.769 365 L CB -1.381 40.747 42.059 0.115 0.000 0.908 365 L HN 0.481 nan 8.230 nan 0.000 0.438 366 A N -0.683 122.027 122.820 -0.182 0.000 1.873 366 A HA -0.193 4.128 4.320 0.001 0.000 0.215 366 A C 2.421 179.802 177.584 -0.338 0.000 1.186 366 A CA 1.332 53.174 52.037 -0.325 0.000 0.616 366 A CB -0.395 18.354 19.000 -0.418 0.000 0.823 366 A HN 0.364 nan 8.150 nan 0.000 0.442 367 R N -1.115 119.183 120.500 -0.337 0.000 2.127 367 R HA -0.143 4.198 4.340 0.001 0.000 0.238 367 R C 2.111 178.248 176.300 -0.272 0.000 1.134 367 R CA 1.502 57.472 56.100 -0.218 0.000 0.975 367 R CB -0.611 29.552 30.300 -0.229 0.000 0.865 367 R HN 0.736 nan 8.270 nan 0.000 0.447 368 H N -0.235 118.475 119.070 -0.599 0.000 2.267 368 H HA -0.172 4.385 4.556 0.001 0.000 0.297 368 H C 2.435 177.383 175.328 -0.633 0.000 1.080 368 H CA 1.461 57.102 56.048 -0.679 0.000 1.278 368 H CB -0.042 29.204 29.762 -0.860 0.000 1.365 368 H HN 0.268 nan 8.280 nan 0.000 0.489 369 C N 0.459 119.415 119.300 -0.572 0.000 2.367 369 C HA -0.194 4.267 4.460 0.001 0.000 0.276 369 C C 3.054 178.014 174.990 -0.050 0.000 1.195 369 C CA 1.545 60.342 59.018 -0.369 0.000 1.756 369 C CB -1.171 26.459 27.740 -0.184 0.000 2.046 369 C HN 0.580 nan 8.230 nan 0.000 0.453 370 V N 0.678 120.579 119.914 -0.020 0.000 2.490 370 V HA -0.069 4.052 4.120 0.001 0.000 0.250 370 V C 2.429 178.771 176.094 0.414 0.000 1.061 370 V CA 2.168 64.641 62.300 0.287 0.000 1.064 370 V CB -1.580 30.397 31.823 0.256 0.000 0.670 370 V HN 0.494 nan 8.190 nan 0.000 0.461 371 A N -0.539 122.268 122.820 -0.021 0.000 1.897 371 A HA -0.193 4.127 4.320 0.001 0.000 0.215 371 A C 2.432 179.914 177.584 -0.170 0.000 1.181 371 A CA 1.813 53.600 52.037 -0.416 0.000 0.620 371 A CB -1.207 17.122 19.000 -1.119 0.000 0.821 371 A HN 0.692 nan 8.150 nan 0.000 0.443 372 C N -1.611 117.645 119.300 -0.072 0.000 2.453 372 C HA -0.045 4.416 4.460 0.001 0.000 0.277 372 C C 2.395 177.474 174.990 0.148 0.000 1.262 372 C CA 1.073 60.130 59.018 0.066 0.000 1.718 372 C CB -1.529 26.335 27.740 0.207 0.000 2.031 372 C HN 0.635 nan 8.230 nan 0.000 0.480 373 F N 1.186 121.175 119.950 0.065 0.000 2.043 373 F HA -0.146 4.382 4.527 0.002 0.000 0.297 373 F C 2.132 177.929 175.800 -0.005 0.000 1.121 373 F CA 2.227 60.279 58.000 0.085 0.000 1.199 373 F CB -0.604 38.489 39.000 0.155 0.000 0.968 373 F HN 0.206 nan 8.300 nan 0.000 0.478 374 L N 0.239 121.502 121.223 0.067 0.000 2.083 374 L HA -0.131 4.210 4.340 0.001 0.000 0.209 374 L C 1.889 178.578 176.870 -0.303 0.000 1.083 374 L CA 2.382 56.975 54.840 -0.410 0.000 0.752 374 L CB -1.402 39.887 42.059 -1.283 0.000 0.899 374 L HN 0.560 nan 8.230 nan 0.000 0.433 375 T N -1.247 113.197 114.554 -0.183 0.000 2.757 375 T HA 0.018 4.369 4.350 0.001 0.000 0.179 375 T C 1.508 176.295 174.700 0.146 0.000 0.705 375 T CA 0.272 62.266 62.100 -0.177 0.000 1.952 375 T CB -0.354 68.288 68.868 -0.378 0.000 2.670 375 T HN 0.273 nan 8.240 nan 0.000 0.404 376 R N 1.422 122.075 120.500 0.254 0.000 2.339 376 R HA 0.384 4.725 4.340 0.001 0.000 0.199 376 R C 1.805 178.271 176.300 0.275 0.000 1.018 376 R CA 1.086 57.418 56.100 0.387 0.000 1.036 376 R CB -0.948 29.568 30.300 0.360 0.000 0.899 376 R HN 0.592 nan 8.270 nan 0.000 0.473 377 G N -1.272 107.639 108.800 0.184 0.000 2.850 377 G HA2 0.074 4.034 3.960 0.001 0.000 0.211 377 G HA3 0.074 4.034 3.960 0.001 0.000 0.211 377 G C 0.522 175.460 174.900 0.064 0.000 1.124 377 G CA 0.187 45.382 45.100 0.157 0.000 0.769 377 G HN 0.289 nan 8.290 nan 0.000 0.535 378 D N -0.796 119.565 120.400 -0.065 0.000 2.630 378 D HA 0.052 4.693 4.640 0.001 0.000 0.137 378 D C 2.138 178.317 176.300 -0.203 0.000 1.483 378 D CA -0.241 53.610 54.000 -0.248 0.000 1.490 378 D CB 0.100 40.432 40.800 -0.779 0.000 1.894 378 D HN 0.067 nan 8.370 nan 0.000 0.269 379 L N 0.693 121.750 121.223 -0.276 0.000 2.395 379 L HA 0.139 4.480 4.340 0.001 0.000 0.218 379 L C 0.571 177.512 176.870 0.119 0.000 1.130 379 L CA 0.180 54.957 54.840 -0.106 0.000 0.826 379 L CB -0.036 41.932 42.059 -0.151 0.000 0.941 379 L HN 0.114 nan 8.230 nan 0.000 0.451 380 F N 0.760 120.706 119.950 -0.006 0.000 3.090 380 F HA -0.269 4.260 4.527 0.003 0.000 0.282 380 F C 0.357 176.314 175.800 0.261 0.000 0.923 380 F CA 0.111 58.229 58.000 0.197 0.000 0.977 380 F CB -1.105 37.947 39.000 0.087 0.000 0.954 380 F HN -0.046 nan 8.300 nan 0.000 0.695 381 I N 0.744 121.327 120.570 0.021 0.000 2.488 381 I HA 0.139 4.310 4.170 0.001 0.000 0.299 381 I C 1.120 177.033 176.117 -0.340 0.000 0.984 381 I CA -0.942 60.309 61.300 -0.082 0.000 1.250 381 I CB 0.721 38.622 38.000 -0.164 0.000 1.389 381 I HN -0.019 nan 8.210 nan 0.000 0.488 382 H N 6.421 125.267 119.070 -0.373 0.000 3.167 382 H HA -0.128 4.428 4.556 0.001 0.000 0.306 382 H C 0.718 175.547 175.328 -0.832 0.000 0.965 382 H CA 0.560 56.161 56.048 -0.745 0.000 1.408 382 H CB 0.631 30.102 29.762 -0.484 0.000 1.406 382 H HN 0.658 nan 8.280 nan 0.000 0.576 383 W N 4.498 125.263 121.300 -0.892 0.000 2.350 383 W HA -0.127 4.534 4.660 0.001 0.000 0.289 383 W C 1.133 177.314 176.519 -0.564 0.000 1.215 383 W CA 0.691 57.656 57.345 -0.633 0.000 1.236 383 W CB -0.480 28.707 29.460 -0.456 0.000 1.130 383 W HN 0.612 nan 8.180 nan 0.000 0.541 384 E N 0.807 120.620 120.200 -0.646 0.000 2.160 384 E HA -0.252 4.098 4.350 0.001 0.000 0.195 384 E C 2.146 178.402 176.600 -0.575 0.000 0.991 384 E CA 1.816 57.745 56.400 -0.784 0.000 0.810 384 E CB -0.130 28.899 29.700 -1.117 0.000 0.742 384 E HN 0.218 nan 8.360 nan 0.000 0.466 385 Q N -0.511 118.977 119.800 -0.520 0.000 2.123 385 Q HA -0.035 4.305 4.340 0.001 0.000 0.199 385 Q C 2.115 177.827 176.000 -0.479 0.000 0.966 385 Q CA 1.407 56.973 55.803 -0.394 0.000 0.845 385 Q CB -0.527 28.035 28.738 -0.294 0.000 0.907 385 Q HN 0.351 nan 8.270 nan 0.000 0.439 386 G N 0.455 108.755 108.800 -0.833 0.000 2.402 386 G HA2 -0.279 3.682 3.960 0.001 0.000 0.216 386 G HA3 -0.279 3.682 3.960 0.001 0.000 0.216 386 G C 1.496 175.463 174.900 -1.555 0.000 1.162 386 G CA 0.542 44.857 45.100 -1.308 0.000 0.777 386 G HN 0.158 nan 8.290 nan 0.000 0.539 387 R N 1.007 120.493 120.500 -1.690 0.000 2.091 387 R HA -0.096 4.245 4.340 0.001 0.000 0.238 387 R C 1.901 177.972 176.300 -0.382 0.000 1.136 387 R CA 1.870 57.278 56.100 -1.153 0.000 0.959 387 R CB -0.712 29.228 30.300 -0.600 0.000 0.856 387 R HN 0.208 nan 8.270 nan 0.000 0.437 388 D N -0.046 120.175 120.400 -0.298 0.000 2.117 388 D HA -0.111 4.530 4.640 0.001 0.000 0.197 388 D C 2.007 178.326 176.300 0.033 0.000 0.987 388 D CA 1.116 55.061 54.000 -0.090 0.000 0.829 388 D CB -0.160 40.583 40.800 -0.094 0.000 0.961 388 D HN 0.045 nan 8.370 nan 0.000 0.460 389 V N 0.620 120.577 119.914 0.071 0.000 2.343 389 V HA -0.222 3.899 4.120 0.001 0.000 0.247 389 V C 2.166 178.451 176.094 0.319 0.000 1.051 389 V CA 1.170 63.598 62.300 0.213 0.000 1.036 389 V CB -0.456 31.562 31.823 0.325 0.000 0.654 389 V HN 0.063 nan 8.190 nan 0.000 0.451 390 F N 0.689 120.706 119.950 0.111 0.000 2.102 390 F HA -0.153 4.375 4.527 0.002 0.000 0.298 390 F C 2.530 178.397 175.800 0.112 0.000 1.105 390 F CA 1.729 59.832 58.000 0.171 0.000 1.239 390 F CB -0.742 38.489 39.000 0.385 0.000 0.991 390 F HN 0.252 nan 8.300 nan 0.000 0.474 391 E N 0.509 120.878 120.200 0.282 0.000 2.171 391 E HA -0.266 4.085 4.350 0.001 0.000 0.197 391 E C 2.202 178.891 176.600 0.149 0.000 0.997 391 E CA 1.622 58.137 56.400 0.191 0.000 0.810 391 E CB -0.028 29.762 29.700 0.149 0.000 0.738 391 E HN 0.516 nan 8.360 nan 0.000 0.467 392 R N -0.919 119.661 120.500 0.133 0.000 2.282 392 R HA 0.050 4.390 4.340 0.001 0.000 0.195 392 R C 1.719 178.071 176.300 0.086 0.000 0.909 392 R CA 0.047 56.210 56.100 0.104 0.000 1.039 392 R CB 0.075 30.428 30.300 0.087 0.000 1.015 392 R HN 0.098 nan 8.270 nan 0.000 0.513 393 L N 1.268 122.539 121.223 0.080 0.000 2.354 393 L HA 0.297 4.638 4.340 0.001 0.000 0.212 393 L C 0.798 177.675 176.870 0.012 0.000 1.091 393 L CA 0.629 55.492 54.840 0.037 0.000 0.828 393 L CB -0.223 41.841 42.059 0.009 0.000 0.973 393 L HN 0.116 nan 8.230 nan 0.000 0.461 394 L N 0.585 121.803 121.223 -0.008 0.000 2.416 394 L HA 0.035 4.376 4.340 0.001 0.000 0.272 394 L C 1.603 178.484 176.870 0.019 0.000 1.161 394 L CA 0.028 54.851 54.840 -0.029 0.000 0.845 394 L CB 0.717 42.740 42.059 -0.059 0.000 1.119 394 L HN 0.174 nan 8.230 nan 0.000 0.464 395 I N -1.299 119.279 120.570 0.013 0.000 3.419 395 I HA -0.012 4.159 4.170 0.001 0.000 0.286 395 I C 0.901 176.951 176.117 -0.111 0.000 1.268 395 I CA 0.370 61.641 61.300 -0.048 0.000 1.414 395 I CB -0.159 37.745 38.000 -0.161 0.000 1.074 395 I HN 0.628 nan 8.210 nan 0.000 0.457 396 D N 0.522 120.886 120.400 -0.060 0.000 2.368 396 D HA 0.042 4.683 4.640 0.001 0.000 0.218 396 D C 0.768 177.056 176.300 -0.021 0.000 1.112 396 D CA -0.251 53.718 54.000 -0.052 0.000 0.834 396 D CB -0.243 40.585 40.800 0.047 0.000 0.953 396 D HN 0.141 nan 8.370 nan 0.000 0.505 397 S N 0.937 116.631 115.700 -0.010 0.000 2.998 397 S HA -0.061 4.410 4.470 0.001 0.000 0.348 397 S C -0.349 174.275 174.600 0.040 0.000 1.210 397 S CA 0.087 58.312 58.200 0.043 0.000 1.118 397 S CB -0.292 62.950 63.200 0.070 0.000 0.832 397 S HN 0.352 nan 8.310 nan 0.000 0.516 398 D N 4.660 125.121 120.400 0.100 0.000 2.542 398 D HA 0.065 4.706 4.640 0.001 0.000 0.252 398 D C 0.671 177.075 176.300 0.174 0.000 1.222 398 D CA -0.696 53.390 54.000 0.143 0.000 0.895 398 D CB 0.457 41.357 40.800 0.166 0.000 1.207 398 D HN 0.719 nan 8.370 nan 0.000 0.558 399 W N 4.824 126.152 121.300 0.048 0.000 2.277 399 W HA -0.354 4.307 4.660 0.002 0.000 0.327 399 W C 1.778 178.344 176.519 0.078 0.000 1.284 399 W CA 3.147 60.538 57.345 0.075 0.000 1.277 399 W CB -0.235 29.276 29.460 0.085 0.000 1.141 399 W HN 0.575 nan 8.180 nan 0.000 0.482 400 A N -0.146 122.668 122.820 -0.009 0.000 1.855 400 A HA -0.152 4.168 4.320 0.001 0.000 0.215 400 A C 2.056 179.524 177.584 -0.193 0.000 1.191 400 A CA 2.037 53.905 52.037 -0.282 0.000 0.613 400 A CB -1.065 17.617 19.000 -0.529 0.000 0.829 400 A HN 0.388 nan 8.150 nan 0.000 0.442 401 I N -0.184 120.287 120.570 -0.165 0.000 2.179 401 I HA -0.269 3.902 4.170 0.001 0.000 0.242 401 I C 2.467 178.401 176.117 -0.305 0.000 1.088 401 I CA 1.804 62.987 61.300 -0.195 0.000 1.357 401 I CB -0.494 37.514 38.000 0.013 0.000 1.051 401 I HN 0.404 nan 8.210 nan 0.000 0.409 402 N N 1.339 119.977 118.700 -0.103 0.000 2.120 402 N HA -0.184 4.557 4.740 0.001 0.000 0.188 402 N C 1.512 177.033 175.510 0.018 0.000 1.024 402 N CA 1.814 54.886 53.050 0.036 0.000 0.852 402 N CB -0.221 38.369 38.487 0.172 0.000 1.003 402 N HN 0.276 nan 8.380 nan 0.000 0.424 403 N N -1.029 117.576 118.700 -0.158 0.000 2.216 403 N HA 0.021 4.762 4.740 0.001 0.000 0.183 403 N C 1.671 176.943 175.510 -0.396 0.000 1.017 403 N CA 1.111 54.006 53.050 -0.258 0.000 0.861 403 N CB -0.386 37.799 38.487 -0.503 0.000 0.986 403 N HN 0.308 nan 8.380 nan 0.000 0.428 404 G N 0.794 109.407 108.800 -0.311 0.000 2.418 404 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 404 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 404 G C 1.471 176.043 174.900 -0.547 0.000 1.158 404 G CA 0.677 45.588 45.100 -0.315 0.000 0.771 404 G HN 0.251 nan 8.290 nan 0.000 0.545 405 N N -0.251 117.988 118.700 -0.769 0.000 2.270 405 N HA -0.077 4.664 4.740 0.001 0.000 0.181 405 N C 1.906 177.169 175.510 -0.411 0.000 1.016 405 N CA 0.714 53.420 53.050 -0.573 0.000 0.870 405 N CB -0.196 37.941 38.487 -0.583 0.000 0.979 405 N HN 0.517 nan 8.380 nan 0.000 0.431 406 W N 1.295 122.362 121.300 -0.388 0.000 2.425 406 W HA 0.117 4.777 4.660 0.001 0.000 0.277 406 W C 2.325 178.488 176.519 -0.594 0.000 1.231 406 W CA 0.443 57.539 57.345 -0.416 0.000 1.248 406 W CB -0.111 29.163 29.460 -0.310 0.000 1.117 406 W HN 0.032 nan 8.180 nan 0.000 0.568 407 M N -1.663 117.648 119.600 -0.481 0.000 2.288 407 M HA -0.156 4.324 4.480 0.001 0.000 0.266 407 M C 2.065 178.294 176.300 -0.119 0.000 1.072 407 M CA 1.108 56.048 55.300 -0.601 0.000 1.132 407 M CB -0.625 31.658 32.600 -0.529 0.000 1.386 407 M HN 0.150 nan 8.290 nan 0.000 0.432 408 W N 1.344 122.577 121.300 -0.112 0.000 2.353 408 W HA -0.184 4.477 4.660 0.001 0.000 0.319 408 W C 1.701 178.124 176.519 -0.160 0.000 1.207 408 W CA 1.202 58.538 57.345 -0.015 0.000 1.291 408 W CB -0.428 28.995 29.460 -0.061 0.000 1.159 408 W HN 0.086 nan 8.180 nan 0.000 0.478 409 L N 1.564 122.784 121.223 -0.005 0.000 2.353 409 L HA -0.154 4.187 4.340 0.001 0.000 0.220 409 L C 2.276 179.102 176.870 -0.073 0.000 1.133 409 L CA 2.159 56.885 54.840 -0.191 0.000 0.798 409 L CB -1.676 40.063 42.059 -0.533 0.000 0.922 409 L HN 0.151 nan 8.230 nan 0.000 0.445 410 S N -3.256 112.405 115.700 -0.066 0.000 2.540 410 S HA -0.007 4.464 4.470 0.001 0.000 0.218 410 S C 1.091 175.786 174.600 0.159 0.000 0.977 410 S CA -0.024 58.181 58.200 0.008 0.000 0.918 410 S CB -0.498 62.601 63.200 -0.168 0.000 0.806 410 S HN 0.379 nan 8.310 nan 0.000 0.496 411 C N 1.631 121.009 119.300 0.130 0.000 4.350 411 C HA -0.143 4.318 4.460 0.001 0.000 0.302 411 C C 1.633 176.712 174.990 0.148 0.000 1.390 411 C CA 0.626 59.727 59.018 0.139 0.000 2.016 411 C CB -3.236 24.678 27.740 0.289 0.000 1.271 411 C HN 0.704 nan 8.230 nan 0.000 0.760 412 S N -1.145 114.562 115.700 0.010 0.000 2.503 412 S HA 0.286 4.757 4.470 0.001 0.000 0.215 412 S C 0.555 175.125 174.600 -0.050 0.000 1.003 412 S CA 0.983 59.204 58.200 0.034 0.000 0.910 412 S CB 0.470 63.593 63.200 -0.128 0.000 0.790 412 S HN 0.932 nan 8.310 nan 0.000 0.514 413 S N -1.779 113.793 115.700 -0.214 0.000 2.645 413 S HA 0.471 4.942 4.470 0.001 0.000 0.268 413 S C -0.865 173.437 174.600 -0.497 0.000 1.110 413 S CA -0.467 57.523 58.200 -0.350 0.000 0.823 413 S CB -0.232 62.659 63.200 -0.515 0.000 1.091 413 S HN 0.122 nan 8.310 nan 0.000 0.466 414 F N -0.433 119.356 119.950 -0.269 0.000 2.555 414 F HA -0.192 4.336 4.527 0.001 0.000 0.693 414 F C 0.035 175.310 175.800 -0.874 0.000 0.487 414 F CA 1.928 59.686 58.000 -0.404 0.000 0.748 414 F CB -1.225 37.560 39.000 -0.358 0.000 1.624 414 F HN 0.616 nan 8.300 nan 0.000 0.266 415 F N -0.120 119.070 119.950 -1.268 0.000 2.493 415 F HA 0.594 5.122 4.527 0.001 0.000 0.329 415 F C -0.201 175.030 175.800 -0.950 0.000 1.126 415 F CA -1.076 56.288 58.000 -1.060 0.000 0.937 415 F CB 1.044 39.270 39.000 -1.290 0.000 1.146 415 F HN 0.076 nan 8.300 nan 0.000 0.442 416 Y N 2.606 122.506 120.300 -0.666 0.000 2.588 416 Y HA 0.258 4.809 4.550 0.001 0.000 0.247 416 Y C 0.364 176.039 175.900 -0.375 0.000 1.157 416 Y CA -0.319 57.632 58.100 -0.249 0.000 1.215 416 Y CB 0.195 38.692 38.460 0.061 0.000 1.245 416 Y HN 0.465 nan 8.280 nan 0.000 0.534 417 Q N 1.633 120.897 119.800 -0.894 0.000 3.026 417 Q HA 0.087 4.428 4.340 0.001 0.000 0.258 417 Q C 0.525 176.403 176.000 -0.203 0.000 1.388 417 Q CA -0.283 55.212 55.803 -0.515 0.000 1.000 417 Q CB -0.431 28.043 28.738 -0.439 0.000 1.634 417 Q HN 0.654 nan 8.270 nan 0.000 0.571 418 F N 0.102 119.976 119.950 -0.126 0.000 2.699 418 F HA -0.029 4.498 4.527 0.001 0.000 0.298 418 F C 1.118 176.909 175.800 -0.015 0.000 1.154 418 F CA 0.191 58.174 58.000 -0.028 0.000 1.457 418 F CB -0.181 38.747 39.000 -0.120 0.000 1.106 418 F HN 0.257 nan 8.300 nan 0.000 0.585 419 N N 0.968 119.458 118.700 -0.349 0.000 2.398 419 N HA -0.060 4.681 4.740 0.001 0.000 0.188 419 N C 0.366 175.837 175.510 -0.065 0.000 1.122 419 N CA 0.086 53.017 53.050 -0.199 0.000 0.866 419 N CB -0.396 37.889 38.487 -0.335 0.000 0.970 419 N HN 0.438 nan 8.380 nan 0.000 0.462 420 R N 1.136 121.628 120.500 -0.012 0.000 2.296 420 R HA 0.368 4.709 4.340 0.001 0.000 0.327 420 R C -0.939 175.349 176.300 -0.021 0.000 1.137 420 R CA -0.246 55.853 56.100 -0.001 0.000 1.020 420 R CB -0.037 30.316 30.300 0.088 0.000 1.110 420 R HN 0.109 nan 8.270 nan 0.000 0.499 421 I N 3.915 124.461 120.570 -0.039 0.000 2.530 421 I HA 0.268 4.439 4.170 0.001 0.000 0.297 421 I C -0.706 175.384 176.117 -0.046 0.000 1.011 421 I CA -1.225 60.082 61.300 0.013 0.000 1.107 421 I CB 1.724 39.803 38.000 0.131 0.000 1.285 421 I HN 0.438 nan 8.210 nan 0.000 0.436 422 Y N 3.036 123.389 120.300 0.088 0.000 2.316 422 Y HA 0.178 4.729 4.550 0.001 0.000 0.331 422 Y C 0.873 176.837 175.900 0.106 0.000 1.083 422 Y CA 0.149 58.253 58.100 0.006 0.000 1.206 422 Y CB 1.348 39.719 38.460 -0.148 0.000 1.195 422 Y HN 0.428 nan 8.280 nan 0.000 0.497 423 S N 4.679 120.535 115.700 0.261 0.000 2.489 423 S HA 0.259 4.730 4.470 0.001 0.000 0.277 423 S C -1.921 172.741 174.600 0.104 0.000 1.230 423 S CA -1.489 56.755 58.200 0.074 0.000 1.053 423 S CB 0.825 64.125 63.200 0.166 0.000 0.955 423 S HN 0.437 nan 8.310 nan 0.000 0.488 424 P HA 0.149 nan 4.420 nan 0.000 0.233 424 P C 0.632 178.176 177.300 0.406 0.000 1.167 424 P CA 0.562 63.795 63.100 0.221 0.000 0.770 424 P CB 0.131 31.771 31.700 -0.100 0.000 0.837 425 I N -1.283 119.465 120.570 0.296 0.000 2.729 425 I HA -0.070 4.101 4.170 0.001 0.000 0.256 425 I C 2.030 178.184 176.117 0.062 0.000 1.115 425 I CA 1.297 62.805 61.300 0.348 0.000 1.446 425 I CB -0.362 37.870 38.000 0.385 0.000 1.176 425 I HN -0.032 nan 8.210 nan 0.000 0.446 426 S N 0.117 115.825 115.700 0.013 0.000 2.492 426 S HA 0.027 4.498 4.470 0.001 0.000 0.218 426 S C 1.880 176.349 174.600 -0.218 0.000 1.016 426 S CA -0.126 57.992 58.200 -0.137 0.000 0.916 426 S CB -0.552 62.629 63.200 -0.031 0.000 0.791 426 S HN 0.306 nan 8.310 nan 0.000 0.513 427 F N 3.543 123.343 119.950 -0.250 0.000 2.069 427 F HA 0.083 4.611 4.527 0.001 0.000 0.298 427 F C 2.430 177.935 175.800 -0.491 0.000 1.113 427 F CA 1.574 59.441 58.000 -0.221 0.000 1.214 427 F CB -1.039 37.983 39.000 0.037 0.000 0.978 427 F HN 0.308 nan 8.300 nan 0.000 0.474 428 G N -0.195 107.932 108.800 -1.123 0.000 2.450 428 G HA2 -0.271 3.690 3.960 0.001 0.000 0.220 428 G HA3 -0.271 3.690 3.960 0.001 0.000 0.220 428 G C 1.753 176.162 174.900 -0.819 0.000 1.130 428 G CA 0.826 45.035 45.100 -1.486 0.000 0.760 428 G HN 0.343 nan 8.290 nan 0.000 0.557 429 K N 0.266 120.040 120.400 -1.043 0.000 2.074 429 K HA -0.147 4.174 4.320 0.001 0.000 0.209 429 K C 2.399 178.709 176.600 -0.483 0.000 1.048 429 K CA 1.394 57.210 56.287 -0.785 0.000 0.926 429 K CB -0.165 31.913 32.500 -0.702 0.000 0.713 429 K HN 0.298 nan 8.250 nan 0.000 0.444 430 K N 0.150 120.204 120.400 -0.577 0.000 2.127 430 K HA -0.228 4.093 4.320 0.001 0.000 0.208 430 K C 1.519 177.685 176.600 -0.722 0.000 1.047 430 K CA 1.845 57.721 56.287 -0.685 0.000 0.927 430 K CB -0.016 31.900 32.500 -0.974 0.000 0.716 430 K HN 0.221 nan 8.250 nan 0.000 0.450 431 Y N -1.371 118.726 120.300 -0.339 0.000 2.539 431 Y HA 0.156 4.707 4.550 0.001 0.000 0.284 431 Y C 0.624 176.464 175.900 -0.100 0.000 1.134 431 Y CA -0.170 57.809 58.100 -0.201 0.000 1.251 431 Y CB 0.480 38.824 38.460 -0.193 0.000 1.260 431 Y HN -0.017 nan 8.280 nan 0.000 0.528 432 D N 0.986 121.442 120.400 0.092 0.000 2.502 432 D HA 0.198 4.838 4.640 0.001 0.000 0.301 432 D C -2.155 174.249 176.300 0.173 0.000 1.202 432 D CA -2.480 51.616 54.000 0.161 0.000 0.878 432 D CB 0.926 41.894 40.800 0.281 0.000 1.062 432 D HN 0.002 nan 8.370 nan 0.000 0.499 433 P HA -0.079 nan 4.420 nan 0.000 0.220 433 P C 0.569 177.964 177.300 0.159 0.000 1.148 433 P CA 0.738 63.868 63.100 0.050 0.000 0.803 433 P CB 0.695 32.368 31.700 -0.044 0.000 0.782 434 D N -0.433 120.048 120.400 0.135 0.000 2.234 434 D HA 0.046 4.687 4.640 0.001 0.000 0.205 434 D C 1.587 177.965 176.300 0.130 0.000 0.962 434 D CA 1.438 55.505 54.000 0.112 0.000 0.855 434 D CB -0.557 40.294 40.800 0.085 0.000 0.951 434 D HN 0.249 nan 8.370 nan 0.000 0.500 435 G N 1.161 110.075 108.800 0.189 0.000 2.142 435 G HA2 -0.327 3.633 3.960 0.001 0.000 0.225 435 G HA3 -0.327 3.633 3.960 0.001 0.000 0.225 435 G C 1.000 175.986 174.900 0.143 0.000 1.015 435 G CA 0.458 45.621 45.100 0.105 0.000 0.716 435 G HN 0.303 nan 8.290 nan 0.000 0.508 436 K N -1.257 119.275 120.400 0.219 0.000 2.063 436 K HA -0.125 4.196 4.320 0.001 0.000 0.208 436 K C 1.991 178.770 176.600 0.297 0.000 1.048 436 K CA 1.686 58.128 56.287 0.259 0.000 0.928 436 K CB -0.179 32.505 32.500 0.307 0.000 0.713 436 K HN 0.507 nan 8.250 nan 0.000 0.442 437 Y N 1.821 122.265 120.300 0.239 0.000 2.070 437 Y HA -0.240 4.311 4.550 0.001 0.000 0.280 437 Y C 1.960 177.885 175.900 0.043 0.000 1.148 437 Y CA 1.513 59.674 58.100 0.101 0.000 1.125 437 Y CB -0.264 38.376 38.460 0.301 0.000 0.975 437 Y HN -0.080 nan 8.280 nan 0.000 0.492 438 I N 0.170 120.893 120.570 0.254 0.000 2.151 438 I HA -0.407 3.764 4.170 0.001 0.000 0.243 438 I C 2.527 178.604 176.117 -0.066 0.000 1.080 438 I CA 1.920 63.256 61.300 0.060 0.000 1.339 438 I CB -0.488 37.492 38.000 -0.034 0.000 1.039 438 I HN 0.222 nan 8.210 nan 0.000 0.409 439 R N -0.638 119.836 120.500 -0.044 0.000 2.105 439 R HA -0.210 4.131 4.340 0.001 0.000 0.239 439 R C 2.475 178.698 176.300 -0.129 0.000 1.135 439 R CA 1.383 57.442 56.100 -0.068 0.000 0.967 439 R CB -0.594 29.699 30.300 -0.011 0.000 0.861 439 R HN 0.502 nan 8.270 nan 0.000 0.442 440 H N -0.274 118.619 119.070 -0.295 0.000 2.321 440 H HA -0.106 4.451 4.556 0.001 0.000 0.300 440 H C 1.248 176.184 175.328 -0.653 0.000 1.087 440 H CA 1.659 57.395 56.048 -0.519 0.000 1.319 440 H CB 0.096 29.318 29.762 -0.900 0.000 1.379 440 H HN 0.135 nan 8.280 nan 0.000 0.501 441 F N 0.099 119.766 119.950 -0.472 0.000 2.789 441 F HA 0.194 4.722 4.527 0.001 0.000 0.300 441 F C 0.822 176.438 175.800 -0.307 0.000 1.132 441 F CA 0.351 58.074 58.000 -0.461 0.000 1.404 441 F CB 0.432 39.062 39.000 -0.617 0.000 1.114 441 F HN -0.011 nan 8.300 nan 0.000 0.584 442 L N 1.902 123.052 121.223 -0.122 0.000 2.594 442 L HA 0.253 4.593 4.340 0.001 0.000 0.245 442 L C -1.592 175.208 176.870 -0.117 0.000 1.460 442 L CA -1.165 53.622 54.840 -0.089 0.000 0.865 442 L CB 1.039 43.048 42.059 -0.082 0.000 1.131 442 L HN -0.229 nan 8.230 nan 0.000 0.506 443 P HA -0.156 nan 4.420 nan 0.000 0.224 443 P C 1.461 178.716 177.300 -0.075 0.000 1.142 443 P CA 0.941 63.973 63.100 -0.113 0.000 0.778 443 P CB 0.338 31.964 31.700 -0.123 0.000 0.764 444 V N 0.004 119.882 119.914 -0.059 0.000 2.407 444 V HA -0.180 3.941 4.120 0.001 0.000 0.248 444 V C 2.381 178.432 176.094 -0.072 0.000 1.055 444 V CA 1.510 63.788 62.300 -0.037 0.000 1.049 444 V CB -1.179 30.653 31.823 0.015 0.000 0.662 444 V HN 0.063 nan 8.190 nan 0.000 0.455 445 L N 0.200 121.344 121.223 -0.132 0.000 2.645 445 L HA 0.085 4.426 4.340 0.001 0.000 0.234 445 L C 2.182 178.993 176.870 -0.097 0.000 1.165 445 L CA 0.367 55.113 54.840 -0.157 0.000 0.944 445 L CB -0.644 41.256 42.059 -0.265 0.000 1.149 445 L HN 0.284 nan 8.230 nan 0.000 0.446 446 K N 1.274 121.630 120.400 -0.074 0.000 2.052 446 K HA -0.256 4.065 4.320 0.001 0.000 0.215 446 K C 0.442 177.024 176.600 -0.030 0.000 1.053 446 K CA 2.459 58.715 56.287 -0.050 0.000 0.934 446 K CB 0.027 32.502 32.500 -0.043 0.000 0.717 446 K HN 0.422 nan 8.250 nan 0.000 0.450 447 D N -0.260 120.126 120.400 -0.024 0.000 2.368 447 D HA 0.041 4.682 4.640 0.001 0.000 0.218 447 D C -0.278 176.023 176.300 0.002 0.000 1.112 447 D CA -0.194 53.802 54.000 -0.007 0.000 0.834 447 D CB 0.268 41.066 40.800 -0.003 0.000 0.953 447 D HN 0.091 nan 8.370 nan 0.000 0.505 448 M N 2.900 122.495 119.600 -0.009 0.000 2.268 448 M HA 0.164 4.645 4.480 0.001 0.000 0.349 448 M C -2.320 174.013 176.300 0.056 0.000 1.485 448 M CA -2.392 52.919 55.300 0.018 0.000 1.094 448 M CB 0.291 32.881 32.600 -0.017 0.000 1.843 448 M HN -0.177 nan 8.290 nan 0.000 0.460 449 P HA -0.077 nan 4.420 nan 0.000 0.266 449 P C -0.199 177.130 177.300 0.048 0.000 1.193 449 P CA 0.198 63.352 63.100 0.090 0.000 0.770 449 P CB 0.378 32.163 31.700 0.141 0.000 0.836 450 K N 2.793 123.194 120.400 0.001 0.000 2.127 450 K HA -0.273 4.048 4.320 0.001 0.000 0.208 450 K C 2.025 178.583 176.600 -0.070 0.000 1.047 450 K CA 1.831 58.113 56.287 -0.008 0.000 0.927 450 K CB -0.285 32.211 32.500 -0.006 0.000 0.716 450 K HN 0.392 nan 8.250 nan 0.000 0.450 451 Q N -0.817 118.849 119.800 -0.223 0.000 2.248 451 Q HA -0.202 4.138 4.340 0.001 0.000 0.208 451 Q C 0.497 176.155 176.000 -0.570 0.000 0.984 451 Q CA 1.844 57.353 55.803 -0.490 0.000 0.875 451 Q CB 0.060 28.302 28.738 -0.827 0.000 0.910 451 Q HN 0.624 nan 8.270 nan 0.000 0.433 452 Y N -2.683 117.593 120.300 -0.042 0.000 2.563 452 Y HA 0.130 4.680 4.550 0.001 0.000 0.250 452 Y C 1.230 177.082 175.900 -0.081 0.000 1.126 452 Y CA -0.562 57.484 58.100 -0.091 0.000 1.231 452 Y CB 0.171 38.560 38.460 -0.118 0.000 1.288 452 Y HN 0.013 nan 8.280 nan 0.000 0.537 453 I N 0.274 120.888 120.570 0.073 0.000 2.236 453 I HA -0.364 3.807 4.170 0.001 0.000 0.249 453 I C 1.401 177.451 176.117 -0.111 0.000 1.102 453 I CA 2.076 63.352 61.300 -0.040 0.000 1.365 453 I CB -0.255 37.697 38.000 -0.080 0.000 1.051 453 I HN 0.266 nan 8.210 nan 0.000 0.420 454 Y N 0.858 121.170 120.300 0.020 0.000 2.490 454 Y HA 0.136 4.687 4.550 0.001 0.000 0.281 454 Y C 0.494 176.416 175.900 0.037 0.000 1.174 454 Y CA 0.247 58.391 58.100 0.073 0.000 1.295 454 Y CB 0.074 38.564 38.460 0.051 0.000 1.062 454 Y HN 0.353 nan 8.280 nan 0.000 0.522 455 E N -0.800 119.369 120.200 -0.053 0.000 3.286 455 E HA 0.134 4.485 4.350 0.001 0.000 0.309 455 E C -2.641 173.650 176.600 -0.514 0.000 1.174 455 E CA -1.311 54.694 56.400 -0.658 0.000 0.984 455 E CB 0.624 29.699 29.700 -1.042 0.000 1.401 455 E HN 0.055 nan 8.360 nan 0.000 0.388 456 P HA -0.178 nan 4.420 nan 0.000 0.221 456 P C 1.004 178.318 177.300 0.023 0.000 1.145 456 P CA 0.987 64.082 63.100 -0.009 0.000 0.795 456 P CB -0.275 31.445 31.700 0.034 0.000 0.775 457 W N 1.388 122.718 121.300 0.051 0.000 2.699 457 W HA 0.025 4.685 4.660 0.001 0.000 0.249 457 W C 1.027 177.552 176.519 0.008 0.000 1.280 457 W CA 1.358 58.717 57.345 0.024 0.000 1.345 457 W CB -1.882 27.588 29.460 0.016 0.000 1.128 457 W HN -0.034 nan 8.180 nan 0.000 0.642 458 T N -1.878 112.424 114.554 -0.420 0.000 3.186 458 T HA 0.595 4.946 4.350 0.001 0.000 0.257 458 T C 0.514 175.070 174.700 -0.240 0.000 1.029 458 T CA -0.046 61.898 62.100 -0.260 0.000 0.916 458 T CB -0.421 68.252 68.868 -0.323 0.000 1.041 458 T HN 0.230 nan 8.240 nan 0.000 0.562 459 A N 2.496 125.059 122.820 -0.428 0.000 2.301 459 A HA 0.705 5.026 4.320 0.001 0.000 0.298 459 A C -2.649 174.653 177.584 -0.470 0.000 1.185 459 A CA -1.992 49.477 52.037 -0.947 0.000 0.830 459 A CB 0.290 18.723 19.000 -0.944 0.000 1.112 459 A HN 0.238 nan 8.150 nan 0.000 0.508 460 P HA -0.007 nan 4.420 nan 0.000 0.265 460 P C 1.069 178.284 177.300 -0.141 0.000 1.187 460 P CA -0.093 62.902 63.100 -0.176 0.000 0.766 460 P CB 0.502 32.135 31.700 -0.112 0.000 0.820 461 L N 2.757 123.935 121.223 -0.074 0.000 2.129 461 L HA -0.290 4.051 4.340 0.001 0.000 0.212 461 L C 2.179 179.022 176.870 -0.045 0.000 1.087 461 L CA 2.274 57.086 54.840 -0.047 0.000 0.757 461 L CB -0.469 41.578 42.059 -0.020 0.000 0.896 461 L HN 0.475 nan 8.230 nan 0.000 0.434 462 S N -1.838 113.836 115.700 -0.043 0.000 2.355 462 S HA -0.152 4.318 4.470 0.001 0.000 0.222 462 S C 1.834 176.411 174.600 -0.039 0.000 1.031 462 S CA 1.183 59.366 58.200 -0.029 0.000 0.993 462 S CB -0.857 62.333 63.200 -0.017 0.000 0.859 462 S HN 0.222 nan 8.310 nan 0.000 0.453 463 V N 2.502 122.374 119.914 -0.070 0.000 2.343 463 V HA -0.211 3.910 4.120 0.001 0.000 0.247 463 V C 2.947 178.993 176.094 -0.080 0.000 1.051 463 V CA 2.165 64.417 62.300 -0.079 0.000 1.036 463 V CB -1.040 30.679 31.823 -0.174 0.000 0.654 463 V HN 0.551 nan 8.190 nan 0.000 0.451 464 Q N -0.531 119.207 119.800 -0.103 0.000 2.084 464 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 464 Q C 2.361 178.343 176.000 -0.031 0.000 0.978 464 Q CA 2.079 57.843 55.803 -0.066 0.000 0.844 464 Q CB -0.396 28.311 28.738 -0.053 0.000 0.898 464 Q HN 0.627 nan 8.270 nan 0.000 0.426 465 T N 0.971 115.510 114.554 -0.026 0.000 2.708 465 T HA -0.164 4.187 4.350 0.001 0.000 0.266 465 T C 1.752 176.447 174.700 -0.008 0.000 1.037 465 T CA 1.615 63.708 62.100 -0.012 0.000 1.146 465 T CB -0.124 68.739 68.868 -0.009 0.000 0.865 465 T HN 0.105 nan 8.240 nan 0.000 0.435 466 K N 1.909 122.303 120.400 -0.010 0.000 2.057 466 K HA 0.137 4.458 4.320 0.001 0.000 0.206 466 K C 2.139 178.738 176.600 -0.002 0.000 1.050 466 K CA 1.388 57.673 56.287 -0.003 0.000 0.935 466 K CB -0.676 31.825 32.500 0.002 0.000 0.715 466 K HN 0.234 nan 8.250 nan 0.000 0.439 467 A N 0.481 123.297 122.820 -0.007 0.000 2.121 467 A HA -0.058 4.263 4.320 0.001 0.000 0.218 467 A C 0.672 178.251 177.584 -0.008 0.000 1.154 467 A CA 1.100 53.133 52.037 -0.007 0.000 0.679 467 A CB -0.461 18.531 19.000 -0.013 0.000 0.795 467 A HN 0.636 nan 8.150 nan 0.000 0.458 468 N N -2.485 116.211 118.700 -0.006 0.000 2.776 468 N HA -0.166 4.575 4.740 0.001 0.000 0.249 468 N C -0.663 174.849 175.510 0.003 0.000 1.111 468 N CA 1.022 54.071 53.050 -0.001 0.000 0.711 468 N CB -1.794 36.692 38.487 -0.002 0.000 1.065 468 N HN 0.505 nan 8.380 nan 0.000 0.556 469 C N 1.509 120.810 119.300 0.003 0.000 2.801 469 C HA 0.520 4.981 4.460 0.001 0.000 0.296 469 C C 0.240 175.250 174.990 0.033 0.000 1.054 469 C CA -0.780 58.248 59.018 0.018 0.000 1.442 469 C CB -0.585 27.151 27.740 -0.007 0.000 1.860 469 C HN 0.265 nan 8.230 nan 0.000 0.459 470 I N 5.745 126.341 120.570 0.045 0.000 2.308 470 I HA 0.163 4.334 4.170 0.001 0.000 0.293 470 I C 0.465 176.630 176.117 0.081 0.000 1.078 470 I CA 0.009 61.337 61.300 0.046 0.000 1.292 470 I CB 0.891 38.910 38.000 0.032 0.000 1.423 470 I HN 0.290 nan 8.210 nan 0.000 0.493 471 V N 6.534 126.509 119.914 0.100 0.000 2.694 471 V HA 0.091 4.212 4.120 0.001 0.000 0.306 471 V C 1.385 177.530 176.094 0.085 0.000 1.054 471 V CA 1.318 63.705 62.300 0.145 0.000 1.161 471 V CB 0.473 32.404 31.823 0.181 0.000 0.916 471 V HN 1.140 nan 8.190 nan 0.000 0.490 472 G N 3.383 112.216 108.800 0.055 0.000 2.199 472 G HA2 -0.281 3.680 3.960 0.001 0.000 0.254 472 G HA3 -0.281 3.680 3.960 0.001 0.000 0.254 472 G C 0.771 175.681 174.900 0.016 0.000 0.982 472 G CA 0.725 45.836 45.100 0.017 0.000 0.632 472 G HN 0.773 nan 8.290 nan 0.000 0.529 473 K N -1.108 119.312 120.400 0.034 0.000 2.638 473 K HA 0.153 4.474 4.320 0.001 0.000 0.207 473 K C 1.172 177.798 176.600 0.043 0.000 1.429 473 K CA 0.507 56.812 56.287 0.031 0.000 0.957 473 K CB 0.082 32.600 32.500 0.031 0.000 1.733 473 K HN -0.002 nan 8.250 nan 0.000 0.474 474 D N -0.453 119.989 120.400 0.070 0.000 2.249 474 D HA -0.003 4.638 4.640 0.001 0.000 0.205 474 D C -0.343 176.050 176.300 0.156 0.000 0.962 474 D CA 0.892 54.945 54.000 0.088 0.000 0.860 474 D CB 0.319 41.167 40.800 0.080 0.000 0.955 474 D HN 0.114 nan 8.370 nan 0.000 0.505 475 Y N 0.778 121.087 120.300 0.016 0.000 2.433 475 Y HA 0.320 4.871 4.550 0.001 0.000 0.337 475 Y C -2.537 173.379 175.900 0.027 0.000 1.026 475 Y CA -2.529 55.584 58.100 0.022 0.000 1.037 475 Y CB 2.041 40.519 38.460 0.030 0.000 1.245 475 Y HN -0.222 nan 8.280 nan 0.000 0.443 476 P HA 0.112 nan 4.420 nan 0.000 0.274 476 P C -1.383 175.740 177.300 -0.294 0.000 1.264 476 P CA -0.115 62.782 63.100 -0.340 0.000 0.795 476 P CB 1.224 32.715 31.700 -0.349 0.000 1.064 477 K N -0.923 119.379 120.400 -0.164 0.000 2.211 477 K HA 0.610 4.931 4.320 0.001 0.000 0.237 477 K C -2.667 173.788 176.600 -0.243 0.000 1.002 477 K CA -2.547 53.665 56.287 -0.126 0.000 0.885 477 K CB -0.553 31.903 32.500 -0.073 0.000 1.136 477 K HN 0.114 nan 8.250 nan 0.000 0.448 478 P HA -0.121 nan 4.420 nan 0.000 0.259 478 P C 0.319 177.520 177.300 -0.165 0.000 1.163 478 P CA 0.492 63.272 63.100 -0.532 0.000 0.760 478 P CB 0.253 31.359 31.700 -0.990 0.000 0.762 479 M N 2.216 121.847 119.600 0.052 0.000 2.506 479 M HA 0.199 4.680 4.480 0.001 0.000 0.260 479 M C 0.003 176.364 176.300 0.103 0.000 1.104 479 M CA 1.149 56.502 55.300 0.088 0.000 1.112 479 M CB 0.343 33.042 32.600 0.165 0.000 1.401 479 M HN 0.047 nan 8.290 nan 0.000 0.473 480 V N 1.105 121.124 119.914 0.175 0.000 3.204 480 V HA 0.373 4.494 4.120 0.001 0.000 0.298 480 V C -1.493 174.714 176.094 0.189 0.000 1.328 480 V CA -1.006 61.372 62.300 0.130 0.000 1.035 480 V CB 2.794 34.669 31.823 0.087 0.000 1.095 480 V HN 0.123 nan 8.190 nan 0.000 0.442 481 L N 3.966 125.263 121.223 0.122 0.000 2.255 481 L HA 0.369 4.710 4.340 0.001 0.000 0.289 481 L C 1.266 178.264 176.870 0.214 0.000 1.046 481 L CA 0.090 55.030 54.840 0.167 0.000 0.816 481 L CB 0.186 42.300 42.059 0.092 0.000 1.197 481 L HN 0.956 nan 8.230 nan 0.000 0.427 482 H N 3.224 122.429 119.070 0.225 0.000 2.261 482 H HA -0.261 4.296 4.556 0.002 0.000 0.290 482 H C 1.218 176.604 175.328 0.097 0.000 1.081 482 H CA 2.844 58.976 56.048 0.140 0.000 1.196 482 H CB 0.336 30.229 29.762 0.217 0.000 1.350 482 H HN 0.694 nan 8.280 nan 0.000 0.498 483 D N -0.842 119.573 120.400 0.025 0.000 2.177 483 D HA -0.234 4.407 4.640 0.001 0.000 0.189 483 D C 2.555 178.805 176.300 -0.084 0.000 1.002 483 D CA 2.767 56.726 54.000 -0.069 0.000 0.845 483 D CB -0.497 40.334 40.800 0.052 0.000 0.960 483 D HN 0.568 nan 8.370 nan 0.000 0.447 484 S N -0.065 115.622 115.700 -0.022 0.000 2.402 484 S HA -0.028 4.443 4.470 0.001 0.000 0.229 484 S C 2.076 176.639 174.600 -0.063 0.000 1.021 484 S CA 1.012 59.191 58.200 -0.035 0.000 0.974 484 S CB -0.388 62.806 63.200 -0.009 0.000 0.800 484 S HN 0.298 nan 8.310 nan 0.000 0.484 485 A N 2.354 125.139 122.820 -0.059 0.000 1.897 485 A HA 0.015 4.336 4.320 0.001 0.000 0.215 485 A C 2.502 180.022 177.584 -0.107 0.000 1.181 485 A CA 1.783 53.776 52.037 -0.075 0.000 0.620 485 A CB -1.122 17.849 19.000 -0.049 0.000 0.821 485 A HN 0.791 nan 8.150 nan 0.000 0.443 486 S N -0.122 115.480 115.700 -0.164 0.000 2.428 486 S HA -0.120 4.351 4.470 0.001 0.000 0.230 486 S C 1.850 176.386 174.600 -0.107 0.000 1.014 486 S CA 1.315 59.420 58.200 -0.158 0.000 0.957 486 S CB -0.233 62.756 63.200 -0.352 0.000 0.784 486 S HN 0.628 nan 8.310 nan 0.000 0.499 487 K N 1.447 121.779 120.400 -0.113 0.000 2.025 487 K HA -0.121 4.200 4.320 0.001 0.000 0.207 487 K C 2.259 178.804 176.600 -0.092 0.000 1.049 487 K CA 1.579 57.818 56.287 -0.080 0.000 0.933 487 K CB -0.250 32.209 32.500 -0.070 0.000 0.714 487 K HN 0.315 nan 8.250 nan 0.000 0.438 488 E N 0.511 120.637 120.200 -0.123 0.000 2.110 488 E HA -0.147 4.203 4.350 0.001 0.000 0.193 488 E C 1.762 178.197 176.600 -0.275 0.000 0.988 488 E CA 1.471 57.763 56.400 -0.181 0.000 0.804 488 E CB -0.433 29.157 29.700 -0.184 0.000 0.745 488 E HN 0.399 nan 8.360 nan 0.000 0.458 489 C N 0.547 119.710 119.300 -0.228 0.000 2.432 489 C HA -0.083 4.377 4.460 0.001 0.000 0.277 489 C C 2.385 177.280 174.990 -0.159 0.000 1.249 489 C CA 1.214 60.090 59.018 -0.237 0.000 1.725 489 C CB -0.750 27.017 27.740 0.046 0.000 2.028 489 C HN 0.457 nan 8.230 nan 0.000 0.477 490 K N 0.218 120.601 120.400 -0.028 0.000 2.152 490 K HA -0.183 4.138 4.320 0.001 0.000 0.206 490 K C 2.260 178.866 176.600 0.009 0.000 1.048 490 K CA 1.163 57.519 56.287 0.116 0.000 0.933 490 K CB -0.201 32.406 32.500 0.179 0.000 0.721 490 K HN 0.471 nan 8.250 nan 0.000 0.447 491 R N 1.700 122.140 120.500 -0.100 0.000 2.061 491 R HA -0.129 4.212 4.340 0.001 0.000 0.230 491 R C 1.832 178.012 176.300 -0.200 0.000 1.140 491 R CA 1.746 57.773 56.100 -0.122 0.000 0.940 491 R CB 0.024 30.239 30.300 -0.142 0.000 0.839 491 R HN 0.028 nan 8.270 nan 0.000 0.429 492 K N -0.115 120.086 120.400 -0.332 0.000 2.113 492 K HA -0.159 4.162 4.320 0.001 0.000 0.208 492 K C 2.220 178.651 176.600 -0.282 0.000 1.047 492 K CA 1.685 57.752 56.287 -0.368 0.000 0.928 492 K CB -0.134 31.907 32.500 -0.765 0.000 0.716 492 K HN 0.216 nan 8.250 nan 0.000 0.446 493 M N 0.082 119.445 119.600 -0.394 0.000 2.086 493 M HA -0.091 4.390 4.480 0.001 0.000 0.261 493 M C 2.486 178.380 176.300 -0.677 0.000 1.067 493 M CA 1.798 56.668 55.300 -0.718 0.000 1.116 493 M CB -1.514 30.167 32.600 -1.532 0.000 1.348 493 M HN 0.353 nan 8.290 nan 0.000 0.407 494 G N 0.099 108.647 108.800 -0.421 0.000 2.450 494 G HA2 -0.202 3.759 3.960 0.001 0.000 0.220 494 G HA3 -0.202 3.759 3.960 0.001 0.000 0.220 494 G C 1.514 176.415 174.900 0.003 0.000 1.130 494 G CA 0.725 45.818 45.100 -0.013 0.000 0.760 494 G HN 0.551 nan 8.290 nan 0.000 0.557 495 E N 0.699 120.864 120.200 -0.059 0.000 2.028 495 E HA 0.003 4.354 4.350 0.001 0.000 0.190 495 E C 3.021 179.615 176.600 -0.010 0.000 0.984 495 E CA 0.698 57.078 56.400 -0.034 0.000 0.800 495 E CB -0.292 29.366 29.700 -0.069 0.000 0.758 495 E HN 0.361 nan 8.360 nan 0.000 0.448 496 A N 1.220 124.020 122.820 -0.033 0.000 1.917 496 A HA -0.227 4.094 4.320 0.001 0.000 0.219 496 A C 2.013 179.652 177.584 0.091 0.000 1.182 496 A CA 1.515 53.550 52.037 -0.004 0.000 0.633 496 A CB -0.905 18.064 19.000 -0.051 0.000 0.819 496 A HN 0.239 nan 8.150 nan 0.000 0.448 497 Y N -0.185 120.056 120.300 -0.098 0.000 2.224 497 Y HA -0.089 4.462 4.550 0.002 0.000 0.289 497 Y C 2.932 178.814 175.900 -0.029 0.000 1.146 497 Y CA 0.451 58.527 58.100 -0.041 0.000 1.182 497 Y CB -0.846 37.629 38.460 0.025 0.000 0.983 497 Y HN 0.347 nan 8.280 nan 0.000 0.524 498 A N -0.362 122.539 122.820 0.134 0.000 1.877 498 A HA -0.187 4.134 4.320 0.001 0.000 0.216 498 A C 2.223 179.817 177.584 0.016 0.000 1.186 498 A CA 1.719 53.792 52.037 0.060 0.000 0.620 498 A CB -1.119 17.905 19.000 0.041 0.000 0.822 498 A HN 0.398 nan 8.150 nan 0.000 0.443 499 L N 0.608 121.835 121.223 0.006 0.000 2.046 499 L HA -0.128 4.213 4.340 0.001 0.000 0.208 499 L C 1.742 178.595 176.870 -0.029 0.000 1.077 499 L CA 2.114 56.946 54.840 -0.014 0.000 0.747 499 L CB -1.004 41.043 42.059 -0.020 0.000 0.896 499 L HN 0.395 nan 8.230 nan 0.000 0.432 500 N N -0.249 118.424 118.700 -0.045 0.000 2.381 500 N HA -0.199 4.542 4.740 0.001 0.000 0.182 500 N C 1.753 177.212 175.510 -0.085 0.000 1.025 500 N CA 0.992 53.993 53.050 -0.081 0.000 0.888 500 N CB 0.043 38.443 38.487 -0.145 0.000 0.965 500 N HN 0.498 nan 8.380 nan 0.000 0.438 501 K N 1.744 122.105 120.400 -0.065 0.000 2.116 501 K HA -0.091 4.230 4.320 0.001 0.000 0.203 501 K C 2.005 178.580 176.600 -0.042 0.000 1.052 501 K CA 0.829 57.081 56.287 -0.059 0.000 0.952 501 K CB 0.150 32.630 32.500 -0.034 0.000 0.729 501 K HN -0.025 nan 8.250 nan 0.000 0.446 502 K N 0.390 120.772 120.400 -0.030 0.000 1.967 502 K HA -0.116 4.205 4.320 0.001 0.000 0.212 502 K C 1.860 178.445 176.600 -0.025 0.000 1.044 502 K CA 1.481 57.754 56.287 -0.023 0.000 0.942 502 K CB -0.123 32.366 32.500 -0.018 0.000 0.726 502 K HN -0.020 nan 8.250 nan 0.000 0.440 503 M N 1.936 121.520 119.600 -0.026 0.000 2.706 503 M HA -0.104 4.376 4.480 0.001 0.000 0.253 503 M C -0.486 175.798 176.300 -0.028 0.000 1.063 503 M CA 0.923 56.209 55.300 -0.024 0.000 1.067 503 M CB -0.837 31.750 32.600 -0.022 0.000 1.423 503 M HN 0.336 nan 8.290 nan 0.000 0.530 504 D N -0.077 120.301 120.400 -0.036 0.000 3.278 504 D HA -0.166 4.475 4.640 0.001 0.000 0.233 504 D C 1.115 177.389 176.300 -0.043 0.000 1.149 504 D CA 1.171 55.147 54.000 -0.041 0.000 0.957 504 D CB -1.026 39.756 40.800 -0.030 0.000 0.913 504 D HN 0.651 nan 8.370 nan 0.000 0.409 505 G N 3.180 111.944 108.800 -0.061 0.000 3.019 505 G HA2 -0.396 3.564 3.960 0.001 0.000 0.231 505 G HA3 -0.396 3.564 3.960 0.001 0.000 0.231 505 G C 0.414 175.293 174.900 -0.035 0.000 1.225 505 G CA 0.974 46.039 45.100 -0.059 0.000 0.845 505 G HN 0.575 nan 8.290 nan 0.000 0.527 506 K N 1.395 121.782 120.400 -0.022 0.000 2.219 506 K HA 0.545 4.866 4.320 0.001 0.000 0.280 506 K C -0.180 176.414 176.600 -0.010 0.000 1.104 506 K CA -0.031 56.250 56.287 -0.009 0.000 0.925 506 K CB 1.289 33.786 32.500 -0.004 0.000 1.261 506 K HN 0.273 nan 8.250 nan 0.000 0.445 507 V N 3.432 123.341 119.914 -0.008 0.000 2.459 507 V HA 0.166 4.287 4.120 0.001 0.000 0.295 507 V C -0.061 176.035 176.094 0.002 0.000 1.029 507 V CA -1.126 61.170 62.300 -0.008 0.000 0.874 507 V CB 1.895 33.710 31.823 -0.014 0.000 0.985 507 V HN 0.658 nan 8.190 nan 0.000 0.438 508 D N 1.897 122.298 120.400 0.001 0.000 2.268 508 D HA 0.226 4.866 4.640 0.001 0.000 0.249 508 D C 1.057 177.360 176.300 0.006 0.000 1.008 508 D CA -0.605 53.399 54.000 0.006 0.000 0.939 508 D CB 0.977 41.780 40.800 0.005 0.000 1.170 508 D HN 0.711 nan 8.370 nan 0.000 0.468 509 E N 0.797 121.003 120.200 0.010 0.000 2.164 509 E HA -0.399 3.952 4.350 0.001 0.000 0.206 509 E C 1.111 177.714 176.600 0.004 0.000 1.032 509 E CA 1.761 58.167 56.400 0.010 0.000 0.832 509 E CB -0.431 29.276 29.700 0.010 0.000 0.742 509 E HN 0.673 nan 8.360 nan 0.000 0.460 510 E N 0.962 121.163 120.200 0.002 0.000 2.033 510 E HA -0.206 4.145 4.350 0.001 0.000 0.199 510 E C 2.111 178.708 176.600 -0.004 0.000 1.011 510 E CA 1.452 57.851 56.400 -0.001 0.000 0.815 510 E CB -0.222 29.477 29.700 -0.001 0.000 0.755 510 E HN 0.360 nan 8.360 nan 0.000 0.451 511 N N 1.009 119.706 118.700 -0.006 0.000 2.104 511 N HA -0.173 4.568 4.740 0.001 0.000 0.190 511 N C 2.037 177.539 175.510 -0.013 0.000 1.024 511 N CA 0.967 54.011 53.050 -0.010 0.000 0.853 511 N CB -0.464 38.016 38.487 -0.012 0.000 1.008 511 N HN 0.150 nan 8.380 nan 0.000 0.424 512 L N 1.024 122.240 121.223 -0.012 0.000 2.046 512 L HA -0.209 4.132 4.340 0.001 0.000 0.208 512 L C 3.045 179.907 176.870 -0.013 0.000 1.077 512 L CA 1.689 56.519 54.840 -0.016 0.000 0.747 512 L CB -0.519 41.534 42.059 -0.010 0.000 0.896 512 L HN 0.256 nan 8.230 nan 0.000 0.432 513 R N -0.053 120.443 120.500 -0.006 0.000 2.103 513 R HA -0.225 4.115 4.340 0.001 0.000 0.242 513 R C 1.764 178.059 176.300 -0.008 0.000 1.142 513 R CA 2.199 58.297 56.100 -0.003 0.000 0.960 513 R CB -1.484 28.816 30.300 -0.001 0.000 0.858 513 R HN 0.453 nan 8.270 nan 0.000 0.439 514 D N 0.016 120.409 120.400 -0.011 0.000 2.137 514 D HA -0.065 4.576 4.640 0.001 0.000 0.202 514 D C 2.012 178.300 176.300 -0.021 0.000 0.970 514 D CA 1.260 55.251 54.000 -0.015 0.000 0.837 514 D CB -0.192 40.600 40.800 -0.013 0.000 0.981 514 D HN 0.286 nan 8.370 nan 0.000 0.475 515 L N 1.484 122.692 121.223 -0.024 0.000 2.131 515 L HA -0.111 4.230 4.340 0.001 0.000 0.210 515 L C 2.207 179.054 176.870 -0.039 0.000 1.092 515 L CA 1.504 56.324 54.840 -0.034 0.000 0.759 515 L CB -0.403 41.633 42.059 -0.038 0.000 0.903 515 L HN -0.146 nan 8.230 nan 0.000 0.435 516 R N -0.540 119.942 120.500 -0.030 0.000 2.064 516 R HA -0.176 4.165 4.340 0.001 0.000 0.228 516 R C 2.610 178.894 176.300 -0.027 0.000 1.144 516 R CA 2.100 58.185 56.100 -0.025 0.000 0.932 516 R CB -0.338 29.957 30.300 -0.008 0.000 0.833 516 R HN 0.427 nan 8.270 nan 0.000 0.429 517 R N 1.065 121.553 120.500 -0.020 0.000 2.117 517 R HA -0.103 4.238 4.340 0.001 0.000 0.243 517 R C 2.167 178.450 176.300 -0.028 0.000 1.143 517 R CA 1.665 57.753 56.100 -0.020 0.000 0.968 517 R CB -1.539 28.752 30.300 -0.015 0.000 0.863 517 R HN 0.369 nan 8.270 nan 0.000 0.444 518 K N 0.848 121.230 120.400 -0.031 0.000 2.113 518 K HA -0.030 4.291 4.320 0.001 0.000 0.208 518 K C 2.245 178.816 176.600 -0.047 0.000 1.047 518 K CA 2.181 58.446 56.287 -0.035 0.000 0.928 518 K CB -0.417 32.062 32.500 -0.035 0.000 0.716 518 K HN 0.525 nan 8.250 nan 0.000 0.446 519 L N 0.455 121.643 121.223 -0.058 0.000 2.109 519 L HA -0.165 4.176 4.340 0.001 0.000 0.207 519 L C 2.893 179.719 176.870 -0.073 0.000 1.086 519 L CA 1.209 56.000 54.840 -0.081 0.000 0.760 519 L CB -0.607 41.386 42.059 -0.110 0.000 0.910 519 L HN 0.236 nan 8.230 nan 0.000 0.437 520 Q N 0.766 120.533 119.800 -0.054 0.000 2.061 520 Q HA -0.286 4.055 4.340 0.001 0.000 0.204 520 Q C 2.651 178.627 176.000 -0.040 0.000 0.984 520 Q CA 2.532 58.309 55.803 -0.044 0.000 0.846 520 Q CB -0.428 28.293 28.738 -0.028 0.000 0.902 520 Q HN 0.634 nan 8.270 nan 0.000 0.421 521 K N 1.058 121.436 120.400 -0.036 0.000 2.009 521 K HA -0.200 4.121 4.320 0.001 0.000 0.210 521 K C 1.879 178.457 176.600 -0.037 0.000 1.049 521 K CA 1.908 58.176 56.287 -0.031 0.000 0.929 521 K CB -1.510 30.973 32.500 -0.028 0.000 0.714 521 K HN 0.752 nan 8.250 nan 0.000 0.440 522 D N 0.100 120.473 120.400 -0.045 0.000 2.228 522 D HA -0.109 4.532 4.640 0.001 0.000 0.203 522 D C 2.283 178.552 176.300 -0.052 0.000 0.988 522 D CA 1.700 55.670 54.000 -0.050 0.000 0.864 522 D CB -0.232 40.531 40.800 -0.061 0.000 0.928 522 D HN 0.763 nan 8.370 nan 0.000 0.469 523 E N 0.948 121.114 120.200 -0.056 0.000 1.999 523 E HA -0.101 4.250 4.350 0.001 0.000 0.194 523 E C 1.555 178.131 176.600 -0.040 0.000 0.995 523 E CA 1.603 57.969 56.400 -0.055 0.000 0.825 523 E CB -1.586 28.079 29.700 -0.059 0.000 0.777 523 E HN 0.681 nan 8.360 nan 0.000 0.459 524 H N 0.000 119.050 119.070 -0.033 0.000 2.539 524 H HA 0.000 4.557 4.556 0.001 0.000 0.296 524 H CA 0.000 56.033 56.048 -0.025 0.000 1.023 524 H CB 0.000 29.750 29.762 -0.021 0.000 1.292 524 H HN 0.000 nan 8.280 nan 0.000 0.496