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 3dr4_1_D DATA FIRST_RESID 5 DATA SEQUENCE PRISVAAPRL DGNERDYVLE CMDTTWISSV GRFIVEFEKA FADYCGVKHA DATA SEQUENCE IACNNGTTAL HLALVAMGIG PGDEVIVPSL TYIASANSVT YCGATPVLVD DATA SEQUENCE NDPRTFNLDA AKLEALITPR TKAIMPVHLY GQICDMDPIL EVARRHNLLV DATA SEQUENCE IEDAAEAVGA TYRGKKSGSL GDCATFSFFG NAIITTGEGG MITTNDDDLA DATA SEQUENCE AKMRLLRGQG MDPNRRYWFP IVGFNYRMTN IQAAIGLAQL ERVDEHLAAR DATA SEQUENCE ERVVGWYEQK LARLGNRVTK PHVALTGRHV FWMYTVRLGE GLSTTRDQVI DATA SEQUENCE KDLDALGIES RPVFHPMHIM PPYAHLATDD LKIAEACGVD GLNLPTHAGL DATA SEQUENCE TEADIDRVIA ALDQVLV 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 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.303 177.300 0.005 0.000 1.155 5 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 5 P CB 0.000 31.700 31.700 0.000 0.000 0.726 6 R N 1.199 121.708 120.500 0.014 0.000 2.537 6 R HA 0.366 4.706 4.340 -0.000 0.000 0.280 6 R C -0.911 175.411 176.300 0.037 0.000 1.058 6 R CA -0.053 56.061 56.100 0.023 0.000 1.057 6 R CB -0.028 30.287 30.300 0.025 0.000 0.973 6 R HN 0.468 nan 8.270 nan 0.000 0.438 7 I N 3.125 123.721 120.570 0.044 0.000 2.321 7 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 7 I C 0.143 176.320 176.117 0.101 0.000 0.998 7 I CA -0.408 60.936 61.300 0.074 0.000 1.227 7 I CB 1.899 39.928 38.000 0.048 0.000 1.368 7 I HN 0.640 nan 8.210 nan 0.000 0.466 8 S N 4.036 119.825 115.700 0.149 0.000 2.632 8 S HA 0.135 4.605 4.470 -0.000 0.000 0.271 8 S C 0.885 175.587 174.600 0.170 0.000 1.260 8 S CA -0.600 57.665 58.200 0.107 0.000 1.010 8 S CB 2.175 65.382 63.200 0.011 0.000 0.965 8 S HN 0.530 nan 8.310 nan 0.000 0.534 9 V N 1.104 121.084 119.914 0.109 0.000 2.809 9 V HA 0.261 4.381 4.120 -0.000 0.000 0.256 9 V C 0.523 176.719 176.094 0.170 0.000 1.080 9 V CA 1.838 64.210 62.300 0.120 0.000 1.102 9 V CB -0.374 31.481 31.823 0.054 0.000 0.705 9 V HN 0.896 nan 8.190 nan 0.000 0.475 10 A N -1.347 121.518 122.820 0.075 0.000 2.610 10 A HA 0.924 5.244 4.320 -0.000 0.000 0.291 10 A C -0.917 176.454 177.584 -0.356 0.000 1.086 10 A CA -0.008 52.016 52.037 -0.023 0.000 0.677 10 A CB 1.596 20.660 19.000 0.106 0.000 1.278 10 A HN 1.280 nan 8.150 nan 0.000 0.414 11 A N 0.684 123.256 122.820 -0.413 0.000 2.590 11 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 11 A C -3.343 174.150 177.584 -0.152 0.000 1.050 11 A CA -0.877 50.951 52.037 -0.348 0.000 0.697 11 A CB 0.905 19.588 19.000 -0.529 0.000 1.277 11 A HN 0.716 nan 8.150 nan 0.000 0.411 12 P HA 0.542 nan 4.420 nan 0.000 0.278 12 P C -0.919 176.379 177.300 -0.002 0.000 1.258 12 P CA -0.428 62.639 63.100 -0.055 0.000 0.811 12 P CB 0.933 32.579 31.700 -0.091 0.000 1.063 13 R N 1.526 122.052 120.500 0.043 0.000 2.412 13 R HA 0.391 4.731 4.340 -0.000 0.000 0.304 13 R C -0.587 175.780 176.300 0.112 0.000 1.066 13 R CA -0.476 55.694 56.100 0.118 0.000 0.923 13 R CB 0.129 30.569 30.300 0.235 0.000 1.156 13 R HN 0.439 nan 8.270 nan 0.000 0.513 14 L N 5.349 126.594 121.223 0.037 0.000 2.512 14 L HA 0.235 4.575 4.340 -0.000 0.000 0.247 14 L C 0.026 176.897 176.870 0.001 0.000 1.204 14 L CA -0.257 54.584 54.840 0.002 0.000 1.153 14 L CB 0.352 42.387 42.059 -0.039 0.000 1.415 14 L HN 0.574 nan 8.230 nan 0.000 0.406 15 D N -0.502 119.916 120.400 0.029 0.000 2.772 15 D HA 0.253 4.893 4.640 -0.000 0.000 0.272 15 D C 0.581 176.855 176.300 -0.044 0.000 1.314 15 D CA -0.267 53.726 54.000 -0.011 0.000 0.835 15 D CB 0.884 41.681 40.800 -0.005 0.000 1.080 15 D HN 0.318 nan 8.370 nan 0.000 0.482 16 G N 0.007 108.768 108.800 -0.064 0.000 3.302 16 G HA2 0.100 4.060 3.960 -0.000 0.000 0.170 16 G HA3 0.100 4.060 3.960 -0.000 0.000 0.170 16 G C 0.498 175.283 174.900 -0.191 0.000 1.119 16 G CA -0.596 44.439 45.100 -0.108 0.000 0.826 16 G HN 0.062 nan 8.290 nan 0.000 0.646 17 N N 0.560 119.060 118.700 -0.334 0.000 2.449 17 N HA 0.052 4.792 4.740 -0.000 0.000 0.191 17 N C 1.546 176.687 175.510 -0.616 0.000 1.161 17 N CA 0.254 52.942 53.050 -0.604 0.000 0.863 17 N CB 0.579 38.340 38.487 -1.210 0.000 0.980 17 N HN 0.452 nan 8.380 nan 0.000 0.458 18 E N 1.116 121.108 120.200 -0.347 0.000 2.048 18 E HA -0.189 4.161 4.350 -0.000 0.000 0.202 18 E C 1.951 178.446 176.600 -0.176 0.000 1.021 18 E CA 1.207 57.463 56.400 -0.240 0.000 0.825 18 E CB -0.085 29.519 29.700 -0.159 0.000 0.756 18 E HN 0.268 nan 8.360 nan 0.000 0.454 19 R N 0.488 120.905 120.500 -0.138 0.000 2.083 19 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 19 R C 1.666 177.931 176.300 -0.058 0.000 1.137 19 R CA 1.895 57.945 56.100 -0.084 0.000 0.951 19 R CB -0.131 30.130 30.300 -0.066 0.000 0.851 19 R HN 0.204 nan 8.270 nan 0.000 0.434 20 D N -0.576 119.776 120.400 -0.080 0.000 2.097 20 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 20 D C 1.852 178.241 176.300 0.149 0.000 0.989 20 D CA 1.227 55.233 54.000 0.010 0.000 0.827 20 D CB -0.356 40.440 40.800 -0.007 0.000 0.966 20 D HN 0.271 nan 8.370 nan 0.000 0.456 21 Y N 1.142 121.411 120.300 -0.052 0.000 2.181 21 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 21 Y C 2.658 178.426 175.900 -0.220 0.000 1.146 21 Y CA -0.134 57.885 58.100 -0.135 0.000 1.164 21 Y CB -1.036 37.176 38.460 -0.414 0.000 0.982 21 Y HN -0.153 nan 8.280 nan 0.000 0.515 22 V N -0.093 119.799 119.914 -0.036 0.000 2.427 22 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 22 V C 2.468 178.572 176.094 0.017 0.000 1.051 22 V CA 1.339 63.602 62.300 -0.061 0.000 1.048 22 V CB -0.788 30.994 31.823 -0.068 0.000 0.666 22 V HN 0.315 nan 8.190 nan 0.000 0.456 23 L N 0.028 121.276 121.223 0.041 0.000 2.083 23 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 23 L C 2.610 179.540 176.870 0.100 0.000 1.083 23 L CA 2.056 56.931 54.840 0.058 0.000 0.752 23 L CB -0.496 41.592 42.059 0.048 0.000 0.899 23 L HN 0.492 nan 8.230 nan 0.000 0.433 24 E N -0.392 119.904 120.200 0.161 0.000 2.110 24 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 24 E C 2.310 179.048 176.600 0.230 0.000 0.988 24 E CA 1.794 58.324 56.400 0.217 0.000 0.804 24 E CB -0.164 29.739 29.700 0.337 0.000 0.745 24 E HN 0.490 nan 8.360 nan 0.000 0.458 25 C N 0.737 120.174 119.300 0.228 0.000 2.432 25 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 25 C C 2.665 177.730 174.990 0.125 0.000 1.249 25 C CA 0.859 60.009 59.018 0.220 0.000 1.725 25 C CB -0.716 27.106 27.740 0.137 0.000 2.028 25 C HN 0.584 nan 8.230 nan 0.000 0.477 26 M N 0.752 120.397 119.600 0.075 0.000 2.086 26 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 26 M C 1.722 178.032 176.300 0.017 0.000 1.067 26 M CA 1.752 57.070 55.300 0.031 0.000 1.116 26 M CB -1.595 31.018 32.600 0.021 0.000 1.348 26 M HN 0.373 nan 8.290 nan 0.000 0.407 27 D N -0.037 120.389 120.400 0.043 0.000 2.144 27 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 27 D C 2.018 178.332 176.300 0.024 0.000 0.978 27 D CA 1.955 55.974 54.000 0.032 0.000 0.833 27 D CB -0.410 40.419 40.800 0.049 0.000 0.961 27 D HN 0.467 nan 8.370 nan 0.000 0.470 28 T N -1.978 112.615 114.554 0.065 0.000 3.055 28 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 28 T C 1.375 175.980 174.700 -0.160 0.000 1.111 28 T CA 1.726 63.870 62.100 0.073 0.000 1.118 28 T CB -0.366 68.672 68.868 0.283 0.000 0.909 28 T HN 0.226 nan 8.240 nan 0.000 0.501 29 T N -3.376 111.067 114.554 -0.185 0.000 5.975 29 T HA -0.195 4.155 4.350 -0.000 0.000 0.273 29 T C -0.236 174.148 174.700 -0.527 0.000 2.189 29 T CA 0.753 62.645 62.100 -0.346 0.000 3.660 29 T CB -2.884 65.727 68.868 -0.429 0.000 1.044 29 T HN 0.722 nan 8.240 nan 0.000 1.166 30 W N 2.065 123.402 121.300 0.062 0.000 2.247 30 W HA 0.635 5.295 4.660 -0.000 0.000 0.394 30 W C 1.657 178.226 176.519 0.084 0.000 0.939 30 W CA -0.683 56.705 57.345 0.071 0.000 1.548 30 W CB 0.003 29.507 29.460 0.073 0.000 1.610 30 W HN 0.585 nan 8.180 nan 0.000 0.336 31 I N -0.641 120.042 120.570 0.188 0.000 4.227 31 I HA 0.220 4.389 4.170 -0.000 0.000 0.334 31 I C 1.186 177.390 176.117 0.145 0.000 1.341 31 I CA -0.178 61.203 61.300 0.136 0.000 1.123 31 I CB -0.149 37.883 38.000 0.054 0.000 1.097 31 I HN 0.075 nan 8.210 nan 0.000 0.399 32 S N 1.281 117.097 115.700 0.193 0.000 2.495 32 S HA 0.277 4.747 4.470 -0.000 0.000 0.273 32 S C 1.224 175.937 174.600 0.187 0.000 1.156 32 S CA 0.151 58.454 58.200 0.172 0.000 1.032 32 S CB 0.430 63.736 63.200 0.178 0.000 1.160 32 S HN 0.370 nan 8.310 nan 0.000 0.489 33 S N -0.845 114.956 115.700 0.167 0.000 2.660 33 S HA 0.198 4.668 4.470 -0.000 0.000 0.223 33 S C 0.126 174.813 174.600 0.145 0.000 0.963 33 S CA -0.445 57.847 58.200 0.154 0.000 0.932 33 S CB -0.774 62.511 63.200 0.141 0.000 0.775 33 S HN 0.493 nan 8.310 nan 0.000 0.531 34 V N 1.695 121.716 119.914 0.178 0.000 2.347 34 V HA 0.804 4.924 4.120 -0.000 0.000 0.280 34 V C 0.487 176.648 176.094 0.111 0.000 1.021 34 V CA 0.209 62.576 62.300 0.111 0.000 0.847 34 V CB 0.655 32.573 31.823 0.158 0.000 0.990 34 V HN 0.601 nan 8.190 nan 0.000 0.444 35 G N 4.534 113.328 108.800 -0.011 0.000 2.404 35 G HA2 0.268 4.228 3.960 -0.000 0.000 0.298 35 G HA3 0.268 4.228 3.960 -0.000 0.000 0.298 35 G C 0.174 175.047 174.900 -0.044 0.000 1.577 35 G CA -0.315 44.782 45.100 -0.006 0.000 0.847 35 G HN 0.646 nan 8.290 nan 0.000 0.598 36 R N -0.156 120.262 120.500 -0.137 0.000 2.148 36 R HA 0.045 4.385 4.340 -0.000 0.000 0.227 36 R C 1.176 177.388 176.300 -0.147 0.000 1.103 36 R CA 1.480 57.456 56.100 -0.206 0.000 0.983 36 R CB -0.367 29.719 30.300 -0.356 0.000 0.874 36 R HN 0.393 nan 8.270 nan 0.000 0.451 37 F N 1.540 121.473 119.950 -0.028 0.000 2.293 37 F HA 0.047 4.574 4.527 -0.000 0.000 0.300 37 F C 2.163 178.002 175.800 0.066 0.000 1.086 37 F CA 0.722 58.709 58.000 -0.021 0.000 1.375 37 F CB -0.233 38.734 39.000 -0.054 0.000 1.045 37 F HN -0.113 nan 8.300 nan 0.000 0.516 38 I N -0.817 119.903 120.570 0.250 0.000 2.127 38 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 38 I C 2.323 178.551 176.117 0.184 0.000 1.075 38 I CA 1.133 62.569 61.300 0.227 0.000 1.334 38 I CB -0.793 37.308 38.000 0.167 0.000 1.040 38 I HN -0.126 nan 8.210 nan 0.000 0.405 39 V N 0.448 120.427 119.914 0.109 0.000 2.427 39 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 39 V C 2.374 178.523 176.094 0.091 0.000 1.051 39 V CA 1.815 64.161 62.300 0.076 0.000 1.048 39 V CB -0.607 31.234 31.823 0.030 0.000 0.666 39 V HN 0.433 nan 8.190 nan 0.000 0.456 40 E N -0.699 119.559 120.200 0.097 0.000 2.106 40 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 40 E C 2.093 178.826 176.600 0.222 0.000 0.984 40 E CA 1.284 57.750 56.400 0.109 0.000 0.806 40 E CB -0.200 29.537 29.700 0.062 0.000 0.750 40 E HN 0.579 nan 8.360 nan 0.000 0.458 41 F N 2.487 122.488 119.950 0.084 0.000 2.134 41 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 41 F C 1.799 177.664 175.800 0.108 0.000 1.097 41 F CA 1.460 59.506 58.000 0.076 0.000 1.264 41 F CB -0.216 38.801 39.000 0.029 0.000 1.001 41 F HN -0.068 nan 8.300 nan 0.000 0.479 42 E N 0.116 120.320 120.200 0.006 0.000 2.077 42 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 42 E C 2.178 178.801 176.600 0.038 0.000 0.989 42 E CA 1.486 57.853 56.400 -0.056 0.000 0.800 42 E CB -0.142 29.569 29.700 0.018 0.000 0.746 42 E HN 0.417 nan 8.360 nan 0.000 0.452 43 K N 0.560 121.002 120.400 0.069 0.000 2.026 43 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 43 K C 2.242 178.890 176.600 0.081 0.000 1.048 43 K CA 1.186 57.514 56.287 0.067 0.000 0.929 43 K CB -0.184 32.351 32.500 0.058 0.000 0.713 43 K HN 0.049 nan 8.250 nan 0.000 0.439 44 A N 0.867 123.757 122.820 0.118 0.000 1.902 44 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 44 A C 2.013 179.676 177.584 0.132 0.000 1.181 44 A CA 1.216 53.335 52.037 0.137 0.000 0.623 44 A CB -0.682 18.435 19.000 0.195 0.000 0.818 44 A HN 0.329 nan 8.150 nan 0.000 0.443 45 F N 0.683 120.599 119.950 -0.055 0.000 2.146 45 F HA -0.021 4.505 4.527 -0.000 0.000 0.298 45 F C 2.550 178.342 175.800 -0.014 0.000 1.096 45 F CA 1.060 59.000 58.000 -0.101 0.000 1.275 45 F CB -0.277 38.480 39.000 -0.404 0.000 1.008 45 F HN 0.254 nan 8.300 nan 0.000 0.480 46 A N -0.162 122.715 122.820 0.096 0.000 1.902 46 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 46 A C 1.980 179.546 177.584 -0.030 0.000 1.181 46 A CA 2.022 54.083 52.037 0.039 0.000 0.623 46 A CB -0.970 18.062 19.000 0.054 0.000 0.818 46 A HN 0.382 nan 8.150 nan 0.000 0.443 47 D N -1.726 118.674 120.400 0.001 0.000 2.117 47 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 47 D C 1.659 177.944 176.300 -0.025 0.000 0.987 47 D CA 1.439 55.437 54.000 -0.004 0.000 0.829 47 D CB -0.454 40.365 40.800 0.032 0.000 0.961 47 D HN 0.580 nan 8.370 nan 0.000 0.460 48 Y N 0.804 121.000 120.300 -0.173 0.000 2.207 48 Y HA -0.231 4.319 4.550 -0.000 0.000 0.287 48 Y C 2.092 177.843 175.900 -0.248 0.000 1.156 48 Y CA 1.123 59.089 58.100 -0.223 0.000 1.182 48 Y CB -0.215 38.053 38.460 -0.319 0.000 0.979 48 Y HN 0.002 nan 8.280 nan 0.000 0.521 49 C N 0.035 119.112 119.300 -0.371 0.000 2.697 49 C HA 0.399 4.859 4.460 -0.000 0.000 0.267 49 C C 1.683 176.564 174.990 -0.182 0.000 1.278 49 C CA 0.620 59.437 59.018 -0.334 0.000 1.708 49 C CB -1.017 26.588 27.740 -0.224 0.000 1.860 49 C HN 0.872 nan 8.230 nan 0.000 0.589 50 G N 1.404 110.117 108.800 -0.146 0.000 2.225 50 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.264 50 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.264 50 G C -0.064 174.809 174.900 -0.046 0.000 1.060 50 G CA 0.608 45.658 45.100 -0.085 0.000 0.833 50 G HN 1.097 nan 8.290 nan 0.000 0.498 51 V N -3.972 115.922 119.914 -0.035 0.000 3.046 51 V HA 0.819 4.939 4.120 -0.000 0.000 0.316 51 V C 1.302 177.366 176.094 -0.051 0.000 1.104 51 V CA -0.104 62.190 62.300 -0.011 0.000 1.006 51 V CB 1.825 33.678 31.823 0.050 0.000 1.058 51 V HN 0.150 nan 8.190 nan 0.000 0.440 52 K N -0.542 119.794 120.400 -0.107 0.000 2.076 52 K HA 0.121 4.440 4.320 -0.000 0.000 0.204 52 K C 0.414 176.760 176.600 -0.422 0.000 1.051 52 K CA 0.921 57.018 56.287 -0.317 0.000 0.949 52 K CB 0.025 32.248 32.500 -0.461 0.000 0.726 52 K HN 0.877 nan 8.250 nan 0.000 0.443 53 H N -1.386 117.719 119.070 0.058 0.000 2.622 53 H HA 0.549 5.105 4.556 -0.000 0.000 0.363 53 H C -1.315 174.069 175.328 0.093 0.000 1.151 53 H CA -0.792 55.295 56.048 0.065 0.000 1.184 53 H CB 2.061 31.858 29.762 0.060 0.000 1.643 53 H HN 0.156 nan 8.280 nan 0.000 0.531 54 A N 2.829 125.778 122.820 0.215 0.000 2.381 54 A HA 0.561 4.881 4.320 -0.000 0.000 0.299 54 A C -1.055 176.596 177.584 0.112 0.000 1.049 54 A CA -0.578 51.563 52.037 0.173 0.000 0.715 54 A CB 0.606 19.714 19.000 0.180 0.000 1.222 54 A HN 0.439 nan 8.150 nan 0.000 0.428 55 I N 2.303 122.930 120.570 0.095 0.000 2.382 55 I HA 0.512 4.682 4.170 -0.000 0.000 0.285 55 I C 0.697 176.848 176.117 0.057 0.000 1.007 55 I CA -0.074 61.273 61.300 0.077 0.000 1.142 55 I CB 1.676 39.725 38.000 0.081 0.000 1.289 55 I HN 0.707 nan 8.210 nan 0.000 0.453 56 A N 5.445 128.300 122.820 0.058 0.000 2.401 56 A HA 0.644 4.964 4.320 -0.000 0.000 0.259 56 A C -0.202 177.453 177.584 0.118 0.000 1.103 56 A CA -0.132 51.956 52.037 0.085 0.000 0.789 56 A CB 0.145 19.219 19.000 0.124 0.000 1.035 56 A HN 0.801 nan 8.150 nan 0.000 0.491 57 C N 0.472 119.842 119.300 0.117 0.000 3.044 57 C HA 0.395 4.854 4.460 -0.000 0.000 0.315 57 C C 1.829 176.879 174.990 0.101 0.000 1.320 57 C CA -0.441 58.633 59.018 0.095 0.000 1.582 57 C CB 1.676 29.422 27.740 0.009 0.000 2.039 57 C HN 1.033 nan 8.230 nan 0.000 0.466 58 N N 0.846 119.590 118.700 0.072 0.000 2.459 58 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 58 N C -0.087 175.451 175.510 0.047 0.000 1.046 58 N CA 0.800 53.897 53.050 0.079 0.000 0.904 58 N CB -0.176 38.371 38.487 0.100 0.000 0.964 58 N HN 0.883 nan 8.380 nan 0.000 0.444 59 N N -2.886 115.799 118.700 -0.025 0.000 3.227 59 N HA 0.206 4.946 4.740 -0.000 0.000 0.241 59 N C 0.326 175.764 175.510 -0.119 0.000 1.480 59 N CA -0.522 52.504 53.050 -0.041 0.000 0.886 59 N CB 0.625 39.097 38.487 -0.026 0.000 1.406 59 N HN -0.138 nan 8.380 nan 0.000 0.514 60 G N -1.134 107.581 108.800 -0.141 0.000 2.471 60 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 60 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 60 G C 0.675 175.481 174.900 -0.157 0.000 1.125 60 G CA 1.381 46.367 45.100 -0.189 0.000 0.775 60 G HN 0.591 nan 8.290 nan 0.000 0.548 61 T N 0.955 115.435 114.554 -0.123 0.000 2.770 61 T HA -0.114 4.236 4.350 -0.000 0.000 0.263 61 T C 2.854 177.478 174.700 -0.127 0.000 1.039 61 T CA 1.972 64.020 62.100 -0.085 0.000 1.142 61 T CB -0.473 68.380 68.868 -0.024 0.000 0.868 61 T HN 0.538 nan 8.240 nan 0.000 0.435 62 T N 0.790 115.173 114.554 -0.285 0.000 2.951 62 T HA 0.173 4.523 4.350 -0.000 0.000 0.268 62 T C 2.258 176.715 174.700 -0.405 0.000 1.073 62 T CA 0.919 62.632 62.100 -0.645 0.000 1.134 62 T CB -0.471 67.614 68.868 -1.306 0.000 0.884 62 T HN 0.286 nan 8.240 nan 0.000 0.479 63 A N 1.851 124.532 122.820 -0.233 0.000 1.883 63 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 63 A C 2.406 179.939 177.584 -0.085 0.000 1.186 63 A CA 1.439 53.402 52.037 -0.124 0.000 0.624 63 A CB -1.012 17.920 19.000 -0.114 0.000 0.822 63 A HN 0.526 nan 8.150 nan 0.000 0.444 64 L N -1.587 119.580 121.223 -0.094 0.000 2.012 64 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 64 L C 2.663 179.548 176.870 0.025 0.000 1.073 64 L CA 1.989 56.790 54.840 -0.065 0.000 0.748 64 L CB -0.720 41.279 42.059 -0.101 0.000 0.891 64 L HN 0.670 nan 8.230 nan 0.000 0.431 65 H N -0.420 118.605 119.070 -0.075 0.000 2.290 65 H HA -0.252 4.304 4.556 -0.000 0.000 0.298 65 H C 2.295 177.627 175.328 0.006 0.000 1.087 65 H CA 1.797 57.844 56.048 -0.001 0.000 1.291 65 H CB 0.154 29.921 29.762 0.009 0.000 1.369 65 H HN 0.167 nan 8.280 nan 0.000 0.492 66 L N 1.316 122.503 121.223 -0.060 0.000 1.990 66 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 66 L C 2.674 179.559 176.870 0.025 0.000 1.072 66 L CA 2.144 56.969 54.840 -0.025 0.000 0.755 66 L CB -1.271 40.847 42.059 0.099 0.000 0.889 66 L HN 0.401 nan 8.230 nan 0.000 0.432 67 A N -0.586 122.246 122.820 0.020 0.000 1.883 67 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 67 A C 2.309 179.908 177.584 0.025 0.000 1.186 67 A CA 2.160 54.209 52.037 0.019 0.000 0.624 67 A CB -0.979 18.017 19.000 -0.006 0.000 0.822 67 A HN 0.527 nan 8.150 nan 0.000 0.444 68 L N -0.580 120.663 121.223 0.034 0.000 2.046 68 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 68 L C 2.551 179.463 176.870 0.070 0.000 1.077 68 L CA 1.123 55.992 54.840 0.048 0.000 0.747 68 L CB -0.571 41.529 42.059 0.068 0.000 0.896 68 L HN 0.263 nan 8.230 nan 0.000 0.432 69 V N 0.098 120.062 119.914 0.083 0.000 2.343 69 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 69 V C 2.747 178.889 176.094 0.079 0.000 1.051 69 V CA 1.783 64.145 62.300 0.103 0.000 1.036 69 V CB -0.869 31.042 31.823 0.146 0.000 0.654 69 V HN 0.482 nan 8.190 nan 0.000 0.451 70 A N -0.729 122.131 122.820 0.068 0.000 1.933 70 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 70 A C 2.206 179.812 177.584 0.036 0.000 1.175 70 A CA 1.933 54.000 52.037 0.051 0.000 0.628 70 A CB -0.483 18.545 19.000 0.046 0.000 0.814 70 A HN 0.492 nan 8.150 nan 0.000 0.444 71 M N -1.637 117.983 119.600 0.034 0.000 2.549 71 M HA 0.036 4.516 4.480 -0.000 0.000 0.260 71 M C 1.466 177.782 176.300 0.027 0.000 1.076 71 M CA 1.094 56.408 55.300 0.024 0.000 1.090 71 M CB -0.077 32.533 32.600 0.017 0.000 1.418 71 M HN 0.706 nan 8.290 nan 0.000 0.486 72 G N 0.732 109.554 108.800 0.037 0.000 2.159 72 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.227 72 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.227 72 G C 0.012 174.936 174.900 0.039 0.000 0.986 72 G CA -0.601 44.520 45.100 0.036 0.000 0.651 72 G HN 0.292 nan 8.290 nan 0.000 0.523 73 I N 1.575 122.172 120.570 0.046 0.000 2.556 73 I HA 0.555 4.725 4.170 -0.000 0.000 0.284 73 I C 1.167 177.323 176.117 0.065 0.000 1.114 73 I CA 0.903 62.230 61.300 0.045 0.000 1.418 73 I CB 0.384 38.407 38.000 0.039 0.000 1.394 73 I HN 0.384 nan 8.210 nan 0.000 0.552 74 G N 7.204 116.036 108.800 0.053 0.000 2.706 74 G HA2 0.538 4.498 3.960 -0.000 0.000 0.307 74 G HA3 0.538 4.498 3.960 -0.000 0.000 0.307 74 G C -3.182 171.748 174.900 0.050 0.000 1.307 74 G CA -0.854 44.284 45.100 0.063 0.000 0.790 74 G HN 0.262 nan 8.290 nan 0.000 0.503 75 P HA 0.266 nan 4.420 nan 0.000 0.262 75 P C 0.952 178.270 177.300 0.030 0.000 1.182 75 P CA 2.087 65.211 63.100 0.040 0.000 0.761 75 P CB 0.923 32.645 31.700 0.037 0.000 0.795 76 G N 2.193 111.009 108.800 0.027 0.000 2.258 76 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.233 76 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.233 76 G C 0.016 174.925 174.900 0.015 0.000 1.006 76 G CA -0.260 44.852 45.100 0.020 0.000 0.620 76 G HN 0.499 nan 8.290 nan 0.000 0.511 77 D N 1.334 121.743 120.400 0.015 0.000 2.344 77 D HA 0.545 5.185 4.640 -0.000 0.000 0.244 77 D C 0.473 176.771 176.300 -0.002 0.000 1.134 77 D CA 0.185 54.189 54.000 0.007 0.000 0.930 77 D CB 0.918 41.724 40.800 0.009 0.000 1.175 77 D HN 0.528 nan 8.370 nan 0.000 0.437 78 E N -0.119 120.073 120.200 -0.014 0.000 2.195 78 E HA 0.531 4.881 4.350 -0.000 0.000 0.271 78 E C -1.035 175.539 176.600 -0.044 0.000 0.923 78 E CA -0.871 55.510 56.400 -0.031 0.000 0.790 78 E CB 2.225 31.904 29.700 -0.035 0.000 1.155 78 E HN 0.025 nan 8.360 nan 0.000 0.402 79 V N 4.106 123.982 119.914 -0.064 0.000 2.531 79 V HA 0.344 4.464 4.120 -0.000 0.000 0.301 79 V C -0.274 175.758 176.094 -0.103 0.000 1.034 79 V CA -0.708 61.545 62.300 -0.079 0.000 0.865 79 V CB 1.523 33.296 31.823 -0.083 0.000 0.995 79 V HN 0.613 nan 8.190 nan 0.000 0.424 80 I N 4.940 125.449 120.570 -0.103 0.000 2.416 80 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 80 I C -0.416 175.621 176.117 -0.133 0.000 1.051 80 I CA -0.093 61.137 61.300 -0.115 0.000 1.375 80 I CB 1.221 39.157 38.000 -0.107 0.000 1.407 80 I HN 0.280 nan 8.210 nan 0.000 0.516 81 V N 7.738 127.561 119.914 -0.152 0.000 2.841 81 V HA 0.405 4.525 4.120 -0.000 0.000 0.310 81 V C -2.373 173.627 176.094 -0.157 0.000 1.090 81 V CA -1.789 60.408 62.300 -0.171 0.000 0.930 81 V CB 2.277 33.969 31.823 -0.219 0.000 1.014 81 V HN 0.538 nan 8.190 nan 0.000 0.425 82 P HA 0.149 nan 4.420 nan 0.000 0.275 82 P C 0.696 177.934 177.300 -0.103 0.000 1.227 82 P CA 0.190 63.229 63.100 -0.102 0.000 0.781 82 P CB 1.060 32.716 31.700 -0.073 0.000 0.906 83 S N 2.390 118.051 115.700 -0.066 0.000 2.402 83 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 83 S C 0.869 175.492 174.600 0.040 0.000 1.021 83 S CA 0.428 58.620 58.200 -0.013 0.000 0.974 83 S CB -0.606 62.625 63.200 0.051 0.000 0.800 83 S HN 0.361 nan 8.310 nan 0.000 0.484 84 L N 2.332 123.595 121.223 0.067 0.000 2.312 84 L HA 0.513 4.853 4.340 -0.000 0.000 0.287 84 L C -0.111 176.807 176.870 0.079 0.000 1.091 84 L CA 0.593 55.517 54.840 0.141 0.000 0.846 84 L CB 0.444 42.626 42.059 0.205 0.000 1.219 84 L HN 0.182 nan 8.230 nan 0.000 0.439 85 T N 2.618 117.144 114.554 -0.046 0.000 2.700 85 T HA 0.211 4.561 4.350 -0.000 0.000 0.307 85 T C -1.579 172.586 174.700 -0.893 0.000 1.580 85 T CA -0.535 61.367 62.100 -0.331 0.000 0.992 85 T CB 0.243 68.957 68.868 -0.258 0.000 1.577 85 T HN 0.217 nan 8.240 nan 0.000 0.496 86 Y N 2.151 121.686 120.300 -1.274 0.000 2.425 86 Y HA 0.398 4.948 4.550 -0.000 0.000 0.331 86 Y C 1.607 177.190 175.900 -0.528 0.000 1.157 86 Y CA -0.277 57.150 58.100 -1.121 0.000 1.372 86 Y CB 0.447 38.447 38.460 -0.767 0.000 1.253 86 Y HN 0.676 nan 8.280 nan 0.000 0.536 87 I N 4.561 124.606 120.570 -0.876 0.000 2.399 87 I HA -0.345 3.825 4.170 -0.000 0.000 0.254 87 I C 2.049 177.918 176.117 -0.413 0.000 1.146 87 I CA 1.839 62.818 61.300 -0.535 0.000 1.412 87 I CB -0.183 37.574 38.000 -0.406 0.000 1.076 87 I HN 0.901 nan 8.210 nan 0.000 0.432 88 A N -0.372 122.205 122.820 -0.404 0.000 1.978 88 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 88 A C 2.380 179.811 177.584 -0.255 0.000 1.170 88 A CA 2.199 54.103 52.037 -0.221 0.000 0.636 88 A CB -0.836 18.157 19.000 -0.013 0.000 0.810 88 A HN 0.525 nan 8.150 nan 0.000 0.448 89 S N -0.078 115.474 115.700 -0.248 0.000 2.359 89 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 89 S C 2.255 176.673 174.600 -0.303 0.000 1.035 89 S CA 1.434 59.479 58.200 -0.259 0.000 1.018 89 S CB -0.455 62.588 63.200 -0.261 0.000 0.876 89 S HN 0.836 nan 8.310 nan 0.000 0.448 90 A N 2.251 124.854 122.820 -0.361 0.000 1.898 90 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 90 A C 1.905 179.254 177.584 -0.392 0.000 1.183 90 A CA 1.034 52.799 52.037 -0.453 0.000 0.622 90 A CB -0.597 17.949 19.000 -0.757 0.000 0.824 90 A HN 0.396 nan 8.150 nan 0.000 0.444 91 N N 1.062 119.545 118.700 -0.360 0.000 2.149 91 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 91 N C 2.041 176.934 175.510 -1.029 0.000 1.019 91 N CA 1.869 54.602 53.050 -0.528 0.000 0.857 91 N CB -0.482 37.673 38.487 -0.552 0.000 0.997 91 N HN 0.640 nan 8.380 nan 0.000 0.426 92 S N -0.140 115.096 115.700 -0.773 0.000 2.382 92 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 92 S C 2.161 176.571 174.600 -0.316 0.000 1.027 92 S CA 1.047 58.886 58.200 -0.601 0.000 0.991 92 S CB -0.737 62.320 63.200 -0.237 0.000 0.823 92 S HN 0.054 nan 8.310 nan 0.000 0.469 93 V N 2.275 122.032 119.914 -0.262 0.000 2.307 93 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 93 V C 2.898 178.940 176.094 -0.087 0.000 1.045 93 V CA 2.262 64.483 62.300 -0.133 0.000 1.024 93 V CB -1.603 30.131 31.823 -0.148 0.000 0.651 93 V HN 0.576 nan 8.190 nan 0.000 0.449 94 T N -0.550 113.922 114.554 -0.137 0.000 2.699 94 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 94 T C 1.814 176.550 174.700 0.060 0.000 1.036 94 T CA 1.993 64.082 62.100 -0.018 0.000 1.147 94 T CB -0.419 68.472 68.868 0.037 0.000 0.862 94 T HN 0.432 nan 8.240 nan 0.000 0.446 95 Y N 0.735 120.984 120.300 -0.084 0.000 2.207 95 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 95 Y C 2.816 178.719 175.900 0.005 0.000 1.156 95 Y CA -0.663 57.345 58.100 -0.153 0.000 1.182 95 Y CB -1.529 36.584 38.460 -0.579 0.000 0.979 95 Y HN 0.299 nan 8.280 nan 0.000 0.521 96 C N -0.754 118.678 119.300 0.219 0.000 2.491 96 C HA 0.263 4.723 4.460 -0.000 0.000 0.277 96 C C 2.196 177.271 174.990 0.142 0.000 1.455 96 C CA 0.918 60.068 59.018 0.220 0.000 1.758 96 C CB -1.236 26.605 27.740 0.168 0.000 1.745 96 C HN 0.852 nan 8.230 nan 0.000 0.558 97 G N -0.008 108.860 108.800 0.113 0.000 2.157 97 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.248 97 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.248 97 G C 0.117 175.053 174.900 0.061 0.000 0.979 97 G CA 0.296 45.445 45.100 0.082 0.000 0.650 97 G HN 0.900 nan 8.290 nan 0.000 0.529 98 A N -0.567 122.285 122.820 0.054 0.000 2.257 98 A HA 0.833 5.153 4.320 -0.000 0.000 0.289 98 A C 0.449 178.047 177.584 0.022 0.000 1.095 98 A CA 0.673 52.728 52.037 0.030 0.000 0.836 98 A CB 0.836 19.847 19.000 0.019 0.000 1.111 98 A HN 0.692 nan 8.150 nan 0.000 0.497 99 T N 2.776 117.335 114.554 0.008 0.000 2.770 99 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 99 T C -2.709 171.963 174.700 -0.046 0.000 0.988 99 T CA -0.820 61.284 62.100 0.007 0.000 0.957 99 T CB 1.243 70.122 68.868 0.018 0.000 0.930 99 T HN 0.400 nan 8.240 nan 0.000 0.443 100 P HA 0.305 nan 4.420 nan 0.000 0.275 100 P C -0.996 176.220 177.300 -0.141 0.000 1.227 100 P CA -0.434 62.568 63.100 -0.163 0.000 0.781 100 P CB 0.622 32.138 31.700 -0.306 0.000 0.906 101 V N 5.064 124.896 119.914 -0.136 0.000 2.349 101 V HA 0.225 4.345 4.120 -0.000 0.000 0.284 101 V C 0.280 176.291 176.094 -0.138 0.000 1.014 101 V CA -0.529 61.700 62.300 -0.119 0.000 0.826 101 V CB 0.744 32.511 31.823 -0.093 0.000 1.009 101 V HN 0.405 nan 8.190 nan 0.000 0.431 102 L N 4.833 125.965 121.223 -0.151 0.000 2.439 102 L HA 0.561 4.901 4.340 -0.000 0.000 0.269 102 L C -0.005 176.784 176.870 -0.136 0.000 1.179 102 L CA -0.058 54.689 54.840 -0.155 0.000 0.828 102 L CB 1.378 43.338 42.059 -0.164 0.000 1.106 102 L HN 0.437 nan 8.230 nan 0.000 0.467 103 V N 1.775 121.616 119.914 -0.122 0.000 2.962 103 V HA 0.381 4.501 4.120 -0.000 0.000 0.313 103 V C -0.613 175.430 176.094 -0.086 0.000 1.099 103 V CA -0.626 61.612 62.300 -0.102 0.000 0.971 103 V CB 2.370 34.139 31.823 -0.090 0.000 1.028 103 V HN 0.755 nan 8.190 nan 0.000 0.430 104 D N 2.899 123.254 120.400 -0.075 0.000 2.384 104 D HA 0.297 4.937 4.640 -0.000 0.000 0.244 104 D C -0.226 176.060 176.300 -0.024 0.000 1.251 104 D CA 0.136 54.107 54.000 -0.049 0.000 0.961 104 D CB 0.804 41.576 40.800 -0.046 0.000 1.116 104 D HN 0.869 nan 8.370 nan 0.000 0.484 105 N N 0.005 118.707 118.700 0.004 0.000 2.545 105 N HA 0.158 4.898 4.740 -0.000 0.000 0.289 105 N C -0.869 174.644 175.510 0.004 0.000 1.279 105 N CA -0.657 52.404 53.050 0.018 0.000 0.824 105 N CB 1.276 39.804 38.487 0.068 0.000 1.395 105 N HN 0.336 nan 8.380 nan 0.000 0.526 106 D N 0.031 120.429 120.400 -0.004 0.000 2.350 106 D HA 0.117 4.757 4.640 -0.000 0.000 0.249 106 D C -1.509 174.730 176.300 -0.101 0.000 1.119 106 D CA -1.535 52.440 54.000 -0.043 0.000 0.886 106 D CB 1.612 42.392 40.800 -0.034 0.000 1.195 106 D HN 0.305 nan 8.370 nan 0.000 0.437 107 P HA 0.009 nan 4.420 nan 0.000 0.233 107 P C 0.900 178.006 177.300 -0.324 0.000 1.167 107 P CA 0.592 63.585 63.100 -0.178 0.000 0.770 107 P CB 0.606 32.236 31.700 -0.115 0.000 0.837 108 R N -0.414 119.911 120.500 -0.292 0.000 2.142 108 R HA 0.068 4.408 4.340 -0.000 0.000 0.204 108 R C 2.191 178.290 176.300 -0.334 0.000 1.059 108 R CA 1.680 57.592 56.100 -0.313 0.000 1.055 108 R CB -0.698 29.432 30.300 -0.283 0.000 0.976 108 R HN 0.207 nan 8.270 nan 0.000 0.483 109 T N -2.429 112.024 114.554 -0.168 0.000 3.081 109 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 109 T C 0.519 175.289 174.700 0.116 0.000 1.100 109 T CA -0.003 62.102 62.100 0.009 0.000 1.038 109 T CB -0.089 68.834 68.868 0.091 0.000 0.962 109 T HN 0.218 nan 8.240 nan 0.000 0.516 110 F N 0.048 120.064 119.950 0.110 0.000 2.825 110 F HA -0.190 4.337 4.527 -0.000 0.000 0.358 110 F C 0.321 176.157 175.800 0.059 0.000 0.639 110 F CA 0.290 58.359 58.000 0.116 0.000 1.153 110 F CB -2.406 36.724 39.000 0.217 0.000 1.610 110 F HN 0.287 nan 8.300 nan 0.000 0.305 111 N N 0.702 119.495 118.700 0.155 0.000 2.477 111 N HA 0.505 5.245 4.740 -0.000 0.000 0.284 111 N C -0.195 175.338 175.510 0.039 0.000 1.182 111 N CA -0.820 52.283 53.050 0.087 0.000 0.949 111 N CB 1.126 39.657 38.487 0.074 0.000 1.204 111 N HN 0.198 nan 8.380 nan 0.000 0.526 112 L N 0.995 122.223 121.223 0.008 0.000 2.720 112 L HA -0.156 4.184 4.340 -0.000 0.000 0.289 112 L C 0.112 176.973 176.870 -0.015 0.000 1.232 112 L CA 0.612 55.441 54.840 -0.019 0.000 0.915 112 L CB 0.187 42.219 42.059 -0.046 0.000 1.184 112 L HN 0.452 nan 8.230 nan 0.000 0.491 113 D N 4.473 124.860 120.400 -0.021 0.000 2.393 113 D HA 0.218 4.858 4.640 -0.000 0.000 0.232 113 D C 0.922 177.206 176.300 -0.026 0.000 1.192 113 D CA 0.477 54.465 54.000 -0.020 0.000 0.882 113 D CB 1.601 42.388 40.800 -0.023 0.000 1.038 113 D HN 0.663 nan 8.370 nan 0.000 0.499 114 A N 4.005 126.813 122.820 -0.019 0.000 1.986 114 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 114 A C 2.066 179.638 177.584 -0.020 0.000 1.171 114 A CA 1.837 53.861 52.037 -0.021 0.000 0.640 114 A CB -0.468 18.526 19.000 -0.010 0.000 0.811 114 A HN 0.634 nan 8.150 nan 0.000 0.451 115 A N -0.789 122.022 122.820 -0.016 0.000 2.172 115 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 115 A C 1.738 179.307 177.584 -0.024 0.000 1.154 115 A CA 1.359 53.387 52.037 -0.015 0.000 0.701 115 A CB -0.181 18.811 19.000 -0.012 0.000 0.789 115 A HN 0.455 nan 8.150 nan 0.000 0.465 116 K N -0.587 119.793 120.400 -0.033 0.000 2.358 116 K HA 0.319 4.639 4.320 -0.000 0.000 0.200 116 K C 1.173 177.740 176.600 -0.056 0.000 1.030 116 K CA -0.168 56.094 56.287 -0.043 0.000 1.097 116 K CB 0.113 32.584 32.500 -0.048 0.000 0.862 116 K HN 0.442 nan 8.250 nan 0.000 0.534 117 L N 0.994 122.183 121.223 -0.058 0.000 2.005 117 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 117 L C 2.455 179.262 176.870 -0.104 0.000 1.072 117 L CA 1.405 56.198 54.840 -0.079 0.000 0.744 117 L CB -0.295 41.720 42.059 -0.075 0.000 0.895 117 L HN 0.181 nan 8.230 nan 0.000 0.433 118 E N 0.278 120.422 120.200 -0.093 0.000 2.108 118 E HA -0.300 4.050 4.350 -0.000 0.000 0.203 118 E C 1.936 178.466 176.600 -0.117 0.000 1.022 118 E CA 1.804 58.132 56.400 -0.120 0.000 0.823 118 E CB -0.121 29.557 29.700 -0.037 0.000 0.744 118 E HN 0.467 nan 8.360 nan 0.000 0.456 119 A N -0.375 122.401 122.820 -0.074 0.000 2.248 119 A HA -0.025 4.295 4.320 -0.000 0.000 0.210 119 A C 1.746 179.286 177.584 -0.073 0.000 1.174 119 A CA 0.658 52.660 52.037 -0.059 0.000 0.750 119 A CB -0.199 18.775 19.000 -0.044 0.000 0.780 119 A HN 0.304 nan 8.150 nan 0.000 0.478 120 L N -0.738 120.427 121.223 -0.097 0.000 2.693 120 L HA 0.305 4.645 4.340 -0.000 0.000 0.235 120 L C -0.022 176.785 176.870 -0.105 0.000 1.127 120 L CA -0.220 54.565 54.840 -0.092 0.000 0.914 120 L CB 0.111 42.114 42.059 -0.094 0.000 1.193 120 L HN 0.237 nan 8.230 nan 0.000 0.502 121 I N 0.649 121.132 120.570 -0.146 0.000 2.496 121 I HA 0.089 4.259 4.170 -0.000 0.000 0.285 121 I C 0.769 176.829 176.117 -0.094 0.000 1.080 121 I CA 0.309 61.508 61.300 -0.167 0.000 1.404 121 I CB 1.154 38.943 38.000 -0.352 0.000 1.403 121 I HN 0.123 nan 8.210 nan 0.000 0.539 122 T N 2.231 116.749 114.554 -0.060 0.000 2.742 122 T HA 0.444 4.793 4.350 -0.000 0.000 0.282 122 T C -2.304 172.392 174.700 -0.007 0.000 1.025 122 T CA -1.629 60.456 62.100 -0.025 0.000 1.020 122 T CB 1.611 70.465 68.868 -0.024 0.000 1.317 122 T HN 0.184 nan 8.240 nan 0.000 0.538 123 P HA 0.163 nan 4.420 nan 0.000 0.225 123 P C 1.094 178.398 177.300 0.006 0.000 1.148 123 P CA 0.651 63.758 63.100 0.011 0.000 0.779 123 P CB 0.074 31.780 31.700 0.010 0.000 0.780 124 R N -1.859 118.640 120.500 -0.002 0.000 2.300 124 R HA 0.123 4.463 4.340 -0.000 0.000 0.199 124 R C 0.372 176.666 176.300 -0.009 0.000 0.920 124 R CA 0.269 56.368 56.100 -0.003 0.000 1.046 124 R CB -0.300 29.997 30.300 -0.004 0.000 0.984 124 R HN 0.111 nan 8.270 nan 0.000 0.493 125 T N 1.206 115.750 114.554 -0.017 0.000 2.888 125 T HA 0.086 4.436 4.350 -0.000 0.000 0.301 125 T C 0.964 175.656 174.700 -0.014 0.000 1.001 125 T CA 0.208 62.291 62.100 -0.028 0.000 1.147 125 T CB 1.259 70.098 68.868 -0.049 0.000 0.931 125 T HN 0.044 nan 8.240 nan 0.000 0.541 126 K N 0.439 120.828 120.400 -0.018 0.000 2.474 126 K HA 0.467 4.787 4.320 -0.000 0.000 0.204 126 K C 0.376 176.967 176.600 -0.015 0.000 1.220 126 K CA 0.032 56.315 56.287 -0.008 0.000 0.966 126 K CB 1.197 33.696 32.500 -0.002 0.000 1.049 126 K HN 0.686 nan 8.250 nan 0.000 0.554 127 A N 0.978 123.780 122.820 -0.031 0.000 2.601 127 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 127 A C -1.586 175.962 177.584 -0.061 0.000 1.075 127 A CA -0.693 51.320 52.037 -0.040 0.000 0.671 127 A CB 1.136 20.113 19.000 -0.039 0.000 1.277 127 A HN 0.055 nan 8.150 nan 0.000 0.417 128 I N 0.803 121.333 120.570 -0.067 0.000 2.545 128 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 128 I C -0.313 175.741 176.117 -0.104 0.000 1.040 128 I CA -0.221 61.028 61.300 -0.086 0.000 1.068 128 I CB 2.157 40.110 38.000 -0.079 0.000 1.251 128 I HN 0.739 nan 8.210 nan 0.000 0.424 129 M N 8.704 128.228 119.600 -0.127 0.000 2.480 129 M HA 0.391 4.871 4.480 -0.000 0.000 0.320 129 M C -2.570 173.619 176.300 -0.185 0.000 1.141 129 M CA -1.699 53.504 55.300 -0.161 0.000 1.102 129 M CB 0.752 33.250 32.600 -0.170 0.000 1.249 129 M HN 0.164 nan 8.290 nan 0.000 0.446 130 P HA 0.083 nan 4.420 nan 0.000 0.268 130 P C -0.993 176.105 177.300 -0.337 0.000 1.204 130 P CA -0.082 62.898 63.100 -0.200 0.000 0.768 130 P CB 1.012 32.616 31.700 -0.160 0.000 0.842 131 V N 4.765 124.515 119.914 -0.274 0.000 2.409 131 V HA 0.156 4.276 4.120 -0.000 0.000 0.291 131 V C 0.362 176.325 176.094 -0.217 0.000 1.020 131 V CA -0.612 61.493 62.300 -0.324 0.000 0.848 131 V CB 0.753 32.441 31.823 -0.225 0.000 0.990 131 V HN 0.520 nan 8.190 nan 0.000 0.430 132 H N 5.216 124.190 119.070 -0.159 0.000 2.982 132 H HA 0.361 4.917 4.556 -0.000 0.000 0.261 132 H C 0.043 175.290 175.328 -0.136 0.000 1.603 132 H CA -0.304 55.665 56.048 -0.133 0.000 1.398 132 H CB 0.150 29.839 29.762 -0.122 0.000 1.693 132 H HN 0.456 nan 8.280 nan 0.000 0.535 133 L N 3.005 124.194 121.223 -0.057 0.000 2.453 133 L HA -0.083 4.257 4.340 -0.000 0.000 0.272 133 L C 0.439 177.236 176.870 -0.122 0.000 1.182 133 L CA -0.041 54.641 54.840 -0.263 0.000 0.858 133 L CB 0.197 41.973 42.059 -0.472 0.000 1.120 133 L HN 0.637 nan 8.230 nan 0.000 0.474 134 Y N 1.306 121.790 120.300 0.307 0.000 4.798 134 Y HA -0.248 4.302 4.550 -0.000 0.000 0.237 134 Y C 1.306 177.418 175.900 0.353 0.000 1.017 134 Y CA 0.999 59.337 58.100 0.397 0.000 2.010 134 Y CB -2.167 36.404 38.460 0.185 0.000 1.582 134 Y HN 0.890 nan 8.280 nan 0.000 0.621 135 G N -0.454 108.523 108.800 0.295 0.000 2.163 135 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.213 135 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.213 135 G C -0.134 174.654 174.900 -0.186 0.000 0.991 135 G CA 0.042 45.258 45.100 0.193 0.000 0.653 135 G HN 0.641 nan 8.290 nan 0.000 0.518 136 Q N 0.297 119.864 119.800 -0.388 0.000 2.333 136 Q HA 0.712 5.052 4.340 -0.000 0.000 0.267 136 Q C 0.207 176.062 176.000 -0.240 0.000 1.012 136 Q CA -0.980 54.500 55.803 -0.537 0.000 0.824 136 Q CB 1.034 29.314 28.738 -0.764 0.000 1.290 136 Q HN 0.355 nan 8.270 nan 0.000 0.449 137 I N 2.936 123.343 120.570 -0.271 0.000 2.529 137 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 137 I C 0.292 176.291 176.117 -0.195 0.000 1.082 137 I CA -0.743 60.264 61.300 -0.489 0.000 1.406 137 I CB 0.723 38.409 38.000 -0.524 0.000 1.405 137 I HN 0.729 nan 8.210 nan 0.000 0.548 138 C N 3.818 123.082 119.300 -0.060 0.000 2.801 138 C HA -0.066 4.394 4.460 -0.000 0.000 0.376 138 C C 1.062 175.971 174.990 -0.134 0.000 1.323 138 C CA -0.214 58.801 59.018 -0.004 0.000 2.170 138 C CB -0.377 27.394 27.740 0.052 0.000 2.650 138 C HN 0.651 nan 8.230 nan 0.000 0.736 139 D N 1.715 122.088 120.400 -0.044 0.000 2.489 139 D HA 0.060 4.700 4.640 -0.000 0.000 0.237 139 D C 1.099 177.288 176.300 -0.186 0.000 1.212 139 D CA 0.060 54.065 54.000 0.009 0.000 1.058 139 D CB 0.124 40.973 40.800 0.082 0.000 1.098 139 D HN 0.296 nan 8.370 nan 0.000 0.509 140 M N 1.294 120.474 119.600 -0.700 0.000 2.159 140 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 140 M C 1.271 177.452 176.300 -0.198 0.000 1.063 140 M CA 1.062 56.035 55.300 -0.545 0.000 1.110 140 M CB -0.533 31.586 32.600 -0.801 0.000 1.374 140 M HN 0.259 nan 8.290 nan 0.000 0.411 141 D N 0.523 120.915 120.400 -0.013 0.000 2.103 141 D HA -0.143 4.497 4.640 -0.000 0.000 0.190 141 D C -0.660 175.667 176.300 0.046 0.000 0.997 141 D CA 1.662 55.724 54.000 0.102 0.000 0.833 141 D CB -1.674 39.255 40.800 0.215 0.000 0.961 141 D HN 0.248 nan 8.370 nan 0.000 0.447 142 P HA -0.031 nan 4.420 nan 0.000 0.221 142 P C 1.808 179.112 177.300 0.007 0.000 1.150 142 P CA 0.819 63.935 63.100 0.028 0.000 0.800 142 P CB 0.016 31.734 31.700 0.030 0.000 0.787 143 I N -0.835 119.724 120.570 -0.019 0.000 2.202 143 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 143 I C 2.492 178.597 176.117 -0.020 0.000 1.091 143 I CA 1.183 62.464 61.300 -0.032 0.000 1.368 143 I CB -0.654 37.310 38.000 -0.060 0.000 1.058 143 I HN -0.158 nan 8.210 nan 0.000 0.410 144 L N 0.375 121.585 121.223 -0.022 0.000 2.141 144 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 144 L C 2.685 179.564 176.870 0.014 0.000 1.094 144 L CA 1.191 56.027 54.840 -0.006 0.000 0.763 144 L CB -0.601 41.456 42.059 -0.004 0.000 0.908 144 L HN 0.344 nan 8.230 nan 0.000 0.437 145 E N 0.469 120.682 120.200 0.020 0.000 2.047 145 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 145 E C 2.217 178.845 176.600 0.048 0.000 0.987 145 E CA 1.525 57.943 56.400 0.030 0.000 0.799 145 E CB 0.102 29.821 29.700 0.031 0.000 0.752 145 E HN 0.285 nan 8.360 nan 0.000 0.449 146 V N 1.646 121.592 119.914 0.053 0.000 2.343 146 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 146 V C 2.653 178.830 176.094 0.139 0.000 1.051 146 V CA 1.836 64.198 62.300 0.103 0.000 1.036 146 V CB -0.891 30.958 31.823 0.043 0.000 0.654 146 V HN 0.419 nan 8.190 nan 0.000 0.451 147 A N 0.110 122.968 122.820 0.064 0.000 1.940 147 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 147 A C 2.442 180.068 177.584 0.069 0.000 1.176 147 A CA 2.038 54.109 52.037 0.058 0.000 0.631 147 A CB -0.583 18.426 19.000 0.015 0.000 0.814 147 A HN 0.463 nan 8.150 nan 0.000 0.446 148 R N -0.269 120.260 120.500 0.047 0.000 2.075 148 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 148 R C 2.280 178.586 176.300 0.010 0.000 1.126 148 R CA 1.646 57.761 56.100 0.026 0.000 0.963 148 R CB -0.396 29.913 30.300 0.016 0.000 0.858 148 R HN 0.500 nan 8.270 nan 0.000 0.435 149 R N -0.554 119.950 120.500 0.007 0.000 2.120 149 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 149 R C 1.094 177.248 176.300 -0.243 0.000 1.123 149 R CA 1.512 57.552 56.100 -0.101 0.000 0.975 149 R CB -0.053 30.194 30.300 -0.088 0.000 0.866 149 R HN 0.434 nan 8.270 nan 0.000 0.446 150 H N -1.290 117.775 119.070 -0.008 0.000 2.542 150 H HA 0.123 4.679 4.556 -0.000 0.000 0.283 150 H C -0.188 175.135 175.328 -0.009 0.000 1.059 150 H CA -0.141 55.901 56.048 -0.009 0.000 1.162 150 H CB 0.225 29.980 29.762 -0.013 0.000 1.539 150 H HN 0.198 nan 8.280 nan 0.000 0.543 151 N N 1.293 120.030 118.700 0.062 0.000 2.705 151 N HA -0.175 4.565 4.740 -0.000 0.000 0.255 151 N C -1.073 174.464 175.510 0.045 0.000 1.008 151 N CA 0.167 53.241 53.050 0.039 0.000 0.742 151 N CB -0.982 37.519 38.487 0.023 0.000 0.906 151 N HN 0.332 nan 8.380 nan 0.000 0.541 152 L N -0.002 121.251 121.223 0.049 0.000 2.322 152 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 152 L C 0.647 177.524 176.870 0.011 0.000 1.012 152 L CA -1.155 53.701 54.840 0.027 0.000 0.815 152 L CB 1.216 43.288 42.059 0.021 0.000 1.295 152 L HN 0.008 nan 8.230 nan 0.000 0.438 153 L N 1.048 122.270 121.223 -0.001 0.000 2.416 153 L HA 0.554 4.894 4.340 -0.000 0.000 0.262 153 L C -0.592 176.265 176.870 -0.022 0.000 1.093 153 L CA -0.763 54.074 54.840 -0.007 0.000 0.801 153 L CB 1.650 43.705 42.059 -0.007 0.000 1.191 153 L HN 0.213 nan 8.230 nan 0.000 0.459 154 V N 2.573 122.472 119.914 -0.026 0.000 2.483 154 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 154 V C -0.502 175.560 176.094 -0.054 0.000 1.027 154 V CA -0.397 61.876 62.300 -0.046 0.000 0.855 154 V CB 2.005 33.803 31.823 -0.042 0.000 0.995 154 V HN 0.522 nan 8.190 nan 0.000 0.424 155 I N 4.128 124.649 120.570 -0.081 0.000 2.354 155 I HA 0.502 4.672 4.170 -0.000 0.000 0.286 155 I C 0.172 176.191 176.117 -0.163 0.000 1.007 155 I CA -0.214 61.026 61.300 -0.099 0.000 1.167 155 I CB 1.079 39.021 38.000 -0.096 0.000 1.320 155 I HN 0.692 nan 8.210 nan 0.000 0.458 156 E N 5.690 125.779 120.200 -0.186 0.000 2.259 156 E HA 0.087 4.437 4.350 -0.000 0.000 0.281 156 E C -0.898 175.455 176.600 -0.411 0.000 1.037 156 E CA -0.386 55.814 56.400 -0.333 0.000 0.854 156 E CB 0.829 30.359 29.700 -0.282 0.000 1.051 156 E HN 0.409 nan 8.360 nan 0.000 0.409 157 D N 2.654 122.769 120.400 -0.475 0.000 2.441 157 D HA 0.179 4.819 4.640 -0.000 0.000 0.221 157 D C -0.385 175.596 176.300 -0.531 0.000 1.156 157 D CA -0.392 53.349 54.000 -0.432 0.000 0.896 157 D CB 0.706 41.302 40.800 -0.339 0.000 1.028 157 D HN 0.476 nan 8.370 nan 0.000 0.509 158 A N 3.347 125.808 122.820 -0.599 0.000 2.545 158 A HA 0.489 4.809 4.320 -0.000 0.000 0.277 158 A C 1.870 179.183 177.584 -0.452 0.000 1.301 158 A CA 0.411 52.130 52.037 -0.530 0.000 0.935 158 A CB -0.070 18.472 19.000 -0.763 0.000 1.093 158 A HN 0.564 nan 8.150 nan 0.000 0.519 159 A N 0.864 123.448 122.820 -0.392 0.000 1.915 159 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 159 A C 1.571 179.021 177.584 -0.224 0.000 1.198 159 A CA 2.049 53.906 52.037 -0.299 0.000 0.647 159 A CB -0.341 18.460 19.000 -0.331 0.000 0.825 159 A HN 0.594 nan 8.150 nan 0.000 0.456 160 E N -1.495 118.569 120.200 -0.227 0.000 2.419 160 E HA 0.426 4.776 4.350 -0.000 0.000 0.190 160 E C 0.368 177.018 176.600 0.084 0.000 1.040 160 E CA 0.286 56.549 56.400 -0.228 0.000 0.900 160 E CB 0.267 29.870 29.700 -0.162 0.000 1.054 160 E HN 0.544 nan 8.360 nan 0.000 0.462 161 A N 0.837 123.755 122.820 0.165 0.000 2.585 161 A HA 0.166 4.486 4.320 -0.000 0.000 0.281 161 A C 0.100 177.939 177.584 0.425 0.000 0.945 161 A CA -0.393 51.804 52.037 0.268 0.000 1.031 161 A CB 0.466 19.583 19.000 0.194 0.000 1.221 161 A HN 0.140 nan 8.150 nan 0.000 0.496 162 V N 0.495 120.726 119.914 0.529 0.000 2.763 162 V HA 0.416 4.536 4.120 -0.000 0.000 0.306 162 V C 1.422 177.779 176.094 0.438 0.000 1.059 162 V CA 2.210 64.855 62.300 0.573 0.000 1.138 162 V CB 0.679 32.806 31.823 0.506 0.000 0.940 162 V HN 1.814 nan 8.190 nan 0.000 0.489 163 G N 3.987 113.050 108.800 0.438 0.000 2.253 163 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.251 163 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.251 163 G C 0.591 175.618 174.900 0.212 0.000 0.998 163 G CA 0.212 45.538 45.100 0.377 0.000 0.621 163 G HN 2.015 nan 8.290 nan 0.000 0.524 164 A N 0.284 123.226 122.820 0.202 0.000 2.406 164 A HA 0.723 5.043 4.320 -0.000 0.000 0.243 164 A C 0.810 178.431 177.584 0.062 0.000 1.082 164 A CA 1.533 53.642 52.037 0.120 0.000 0.786 164 A CB 0.337 19.383 19.000 0.076 0.000 1.029 164 A HN 1.957 nan 8.150 nan 0.000 0.495 165 T N -1.781 112.800 114.554 0.044 0.000 2.906 165 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 165 T C -1.147 173.598 174.700 0.075 0.000 1.061 165 T CA -0.438 61.684 62.100 0.036 0.000 1.000 165 T CB 1.376 70.250 68.868 0.009 0.000 1.103 165 T HN 0.981 nan 8.240 nan 0.000 0.486 166 Y N 1.647 121.910 120.300 -0.062 0.000 2.332 166 Y HA 0.480 5.030 4.550 -0.000 0.000 0.325 166 Y C 0.445 176.322 175.900 -0.038 0.000 1.054 166 Y CA -0.812 57.252 58.100 -0.061 0.000 1.119 166 Y CB 1.273 39.679 38.460 -0.090 0.000 1.168 166 Y HN 0.966 nan 8.280 nan 0.000 0.439 167 R N 4.395 124.674 120.500 -0.369 0.000 3.322 167 R HA -0.242 4.098 4.340 -0.000 0.000 0.253 167 R C 0.991 177.243 176.300 -0.080 0.000 0.987 167 R CA 1.207 57.152 56.100 -0.259 0.000 0.666 167 R CB -1.833 28.262 30.300 -0.342 0.000 1.072 167 R HN 1.478 nan 8.270 nan 0.000 0.447 168 G N -0.734 108.033 108.800 -0.055 0.000 2.179 168 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 168 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 168 G C 0.030 174.924 174.900 -0.010 0.000 0.977 168 G CA 0.789 45.872 45.100 -0.028 0.000 0.641 168 G HN 0.397 nan 8.290 nan 0.000 0.533 169 K N 0.400 120.814 120.400 0.023 0.000 2.259 169 K HA 0.538 4.858 4.320 -0.000 0.000 0.252 169 K C 0.176 176.787 176.600 0.019 0.000 0.936 169 K CA -0.963 55.339 56.287 0.024 0.000 0.810 169 K CB 1.434 33.974 32.500 0.067 0.000 1.143 169 K HN -0.049 nan 8.250 nan 0.000 0.427 170 K N 1.217 121.603 120.400 -0.025 0.000 2.202 170 K HA 0.120 4.440 4.320 -0.000 0.000 0.264 170 K C 0.134 176.766 176.600 0.053 0.000 1.010 170 K CA -0.099 56.169 56.287 -0.033 0.000 0.940 170 K CB 1.188 33.597 32.500 -0.150 0.000 0.983 170 K HN 0.846 nan 8.250 nan 0.000 0.475 171 S N -0.232 115.530 115.700 0.104 0.000 2.563 171 S HA 0.216 4.686 4.470 -0.000 0.000 0.284 171 S C 1.186 175.999 174.600 0.355 0.000 1.331 171 S CA 0.250 58.562 58.200 0.188 0.000 1.047 171 S CB 0.571 63.938 63.200 0.278 0.000 0.859 171 S HN 0.890 nan 8.310 nan 0.000 0.514 172 G N 1.062 110.047 108.800 0.308 0.000 2.213 172 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.236 172 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.236 172 G C 0.700 175.733 174.900 0.221 0.000 0.991 172 G CA 0.699 46.030 45.100 0.385 0.000 0.629 172 G HN 1.908 nan 8.290 nan 0.000 0.517 173 S N -0.512 115.272 115.700 0.140 0.000 2.578 173 S HA 0.537 5.007 4.470 -0.000 0.000 0.231 173 S C 1.855 176.493 174.600 0.064 0.000 0.994 173 S CA 0.639 58.891 58.200 0.086 0.000 0.956 173 S CB 0.209 63.436 63.200 0.046 0.000 0.870 173 S HN 0.351 nan 8.310 nan 0.000 0.494 174 L N 1.220 122.480 121.223 0.063 0.000 2.221 174 L HA 0.406 4.745 4.340 -0.000 0.000 0.202 174 L C 1.841 178.722 176.870 0.018 0.000 1.074 174 L CA 0.769 55.629 54.840 0.033 0.000 0.795 174 L CB -0.698 41.363 42.059 0.004 0.000 0.960 174 L HN 0.462 nan 8.230 nan 0.000 0.458 175 G N -1.323 107.486 108.800 0.015 0.000 2.531 175 G HA2 0.061 4.021 3.960 -0.000 0.000 0.281 175 G HA3 0.061 4.021 3.960 -0.000 0.000 0.281 175 G C 0.082 174.990 174.900 0.012 0.000 1.382 175 G CA -0.258 44.840 45.100 -0.003 0.000 1.045 175 G HN 0.011 nan 8.290 nan 0.000 0.533 176 D N -1.291 119.112 120.400 0.005 0.000 2.219 176 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 176 D C 1.145 177.463 176.300 0.030 0.000 0.970 176 D CA 1.524 55.535 54.000 0.019 0.000 0.851 176 D CB -0.054 40.754 40.800 0.012 0.000 0.943 176 D HN 0.443 nan 8.370 nan 0.000 0.488 177 C N -1.860 117.450 119.300 0.017 0.000 3.320 177 C HA 0.868 5.328 4.460 -0.000 0.000 0.335 177 C C -1.242 173.749 174.990 0.000 0.000 1.430 177 C CA -0.947 58.090 59.018 0.032 0.000 1.271 177 C CB 1.601 29.361 27.740 0.032 0.000 1.609 177 C HN 0.199 nan 8.230 nan 0.000 0.457 178 A N 0.388 123.216 122.820 0.014 0.000 2.606 178 A HA 0.999 5.319 4.320 -0.000 0.000 0.293 178 A C -0.443 177.077 177.584 -0.107 0.000 1.082 178 A CA 0.249 52.234 52.037 -0.087 0.000 0.685 178 A CB 1.316 20.273 19.000 -0.073 0.000 1.284 178 A HN 2.299 nan 8.150 nan 0.000 0.408 179 T N -1.471 112.896 114.554 -0.311 0.000 2.907 179 T HA 0.853 5.202 4.350 -0.000 0.000 0.292 179 T C -0.872 173.453 174.700 -0.624 0.000 1.043 179 T CA -0.492 61.443 62.100 -0.275 0.000 1.003 179 T CB 1.081 69.819 68.868 -0.216 0.000 1.084 179 T HN 0.497 nan 8.240 nan 0.000 0.483 180 F N 0.322 120.124 119.950 -0.246 0.000 2.603 180 F HA 0.744 5.271 4.527 -0.000 0.000 0.317 180 F C 0.466 175.883 175.800 -0.639 0.000 1.066 180 F CA -0.918 56.851 58.000 -0.384 0.000 0.941 180 F CB 2.509 41.254 39.000 -0.425 0.000 1.291 180 F HN 0.765 nan 8.300 nan 0.000 0.472 181 S N 0.637 116.093 115.700 -0.407 0.000 2.532 181 S HA 0.665 5.135 4.470 -0.000 0.000 0.301 181 S C -0.920 173.420 174.600 -0.434 0.000 1.083 181 S CA -0.367 57.572 58.200 -0.436 0.000 1.025 181 S CB 0.539 63.582 63.200 -0.262 0.000 1.056 181 S HN 0.418 nan 8.310 nan 0.000 0.494 182 F N 3.297 123.289 119.950 0.070 0.000 2.850 182 F HA 0.405 4.932 4.527 -0.000 0.000 0.329 182 F C 0.088 175.928 175.800 0.066 0.000 1.182 182 F CA -1.306 56.730 58.000 0.061 0.000 1.270 182 F CB -0.284 38.752 39.000 0.060 0.000 0.979 182 F HN 0.567 nan 8.300 nan 0.000 0.506 183 F N 0.958 120.945 119.950 0.061 0.000 2.586 183 F HA 0.381 4.908 4.527 0.000 0.000 0.335 183 F C 1.738 177.578 175.800 0.067 0.000 1.210 183 F CA 0.083 58.103 58.000 0.034 0.000 1.359 183 F CB 0.736 39.714 39.000 -0.036 0.000 1.142 183 F HN 0.168 nan 8.300 nan 0.000 0.606 184 G N 2.093 110.144 108.800 -1.249 0.000 2.499 184 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.221 184 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.221 184 G C 0.967 175.611 174.900 -0.426 0.000 1.109 184 G CA 0.969 45.592 45.100 -0.795 0.000 0.749 184 G HN 0.727 nan 8.290 nan 0.000 0.568 185 N N 0.501 119.045 118.700 -0.261 0.000 2.336 185 N HA 0.355 5.095 4.740 -0.000 0.000 0.189 185 N C 0.826 176.589 175.510 0.422 0.000 1.113 185 N CA 0.341 53.497 53.050 0.177 0.000 0.858 185 N CB -0.084 38.661 38.487 0.430 0.000 0.970 185 N HN 0.276 nan 8.380 nan 0.000 0.471 186 A N 0.586 123.555 122.820 0.249 0.000 2.346 186 A HA 0.391 4.711 4.320 -0.000 0.000 0.252 186 A C 1.406 179.154 177.584 0.273 0.000 1.089 186 A CA -0.575 51.605 52.037 0.238 0.000 0.797 186 A CB 0.080 19.155 19.000 0.125 0.000 1.047 186 A HN 0.168 nan 8.150 nan 0.000 0.494 187 I N -0.081 120.684 120.570 0.324 0.000 2.208 187 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 187 I C 0.341 176.499 176.117 0.069 0.000 1.097 187 I CA 1.412 62.872 61.300 0.266 0.000 1.363 187 I CB -0.163 38.039 38.000 0.336 0.000 1.051 187 I HN 0.423 nan 8.210 nan 0.000 0.413 188 I N -0.192 120.451 120.570 0.122 0.000 2.436 188 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 188 I C -0.120 176.053 176.117 0.094 0.000 1.010 188 I CA -0.195 61.117 61.300 0.020 0.000 1.098 188 I CB 1.958 40.047 38.000 0.147 0.000 1.266 188 I HN -0.084 nan 8.210 nan 0.000 0.434 189 T N 2.190 116.710 114.554 -0.056 0.000 2.916 189 T HA 0.456 4.806 4.350 -0.000 0.000 0.292 189 T C 0.357 174.985 174.700 -0.120 0.000 1.055 189 T CA -0.278 61.818 62.100 -0.008 0.000 1.009 189 T CB 1.518 70.344 68.868 -0.069 0.000 1.118 189 T HN 0.766 nan 8.240 nan 0.000 0.497 190 T N -0.520 114.020 114.554 -0.022 0.000 3.170 190 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 190 T C 1.415 176.101 174.700 -0.023 0.000 0.992 190 T CA 0.796 62.850 62.100 -0.076 0.000 0.909 190 T CB -0.081 68.756 68.868 -0.052 0.000 1.133 190 T HN 1.358 nan 8.240 nan 0.000 0.530 191 G N 1.605 110.381 108.800 -0.041 0.000 5.353 191 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.283 191 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.283 191 G C -0.355 174.572 174.900 0.046 0.000 1.457 191 G CA 0.151 45.220 45.100 -0.052 0.000 0.951 191 G HN 0.656 nan 8.290 nan 0.000 0.731 192 E N 1.216 121.497 120.200 0.134 0.000 2.293 192 E HA 0.613 4.963 4.350 -0.000 0.000 0.270 192 E C 0.037 176.757 176.600 0.199 0.000 0.879 192 E CA 0.261 56.796 56.400 0.225 0.000 0.756 192 E CB 1.650 31.466 29.700 0.193 0.000 1.208 192 E HN 1.567 nan 8.360 nan 0.000 0.428 193 G N 0.210 109.145 108.800 0.224 0.000 2.355 193 G HA2 0.540 4.500 3.960 -0.000 0.000 0.296 193 G HA3 0.540 4.500 3.960 -0.000 0.000 0.296 193 G C -1.024 173.976 174.900 0.167 0.000 1.507 193 G CA -0.066 45.204 45.100 0.283 0.000 0.823 193 G HN 0.626 nan 8.290 nan 0.000 0.569 194 G N -1.407 107.456 108.800 0.105 0.000 2.687 194 G HA2 0.821 4.780 3.960 -0.000 0.000 0.291 194 G HA3 0.821 4.780 3.960 -0.000 0.000 0.291 194 G C -1.496 173.324 174.900 -0.133 0.000 1.420 194 G CA -0.384 44.558 45.100 -0.263 0.000 0.796 194 G HN 1.337 nan 8.290 nan 0.000 0.485 195 M N -0.276 119.195 119.600 -0.215 0.000 2.471 195 M HA 0.688 5.168 4.480 -0.000 0.000 0.284 195 M C -1.958 174.380 176.300 0.062 0.000 1.203 195 M CA -0.471 54.793 55.300 -0.061 0.000 0.915 195 M CB 2.085 34.546 32.600 -0.233 0.000 1.734 195 M HN 0.434 nan 8.290 nan 0.000 0.485 196 I N 2.232 122.859 120.570 0.094 0.000 2.441 196 I HA 0.683 4.853 4.170 -0.000 0.000 0.295 196 I C -0.394 175.851 176.117 0.214 0.000 0.994 196 I CA -0.658 60.722 61.300 0.133 0.000 1.144 196 I CB 2.294 40.341 38.000 0.077 0.000 1.314 196 I HN 0.793 nan 8.210 nan 0.000 0.445 197 T N 0.658 115.377 114.554 0.275 0.000 2.863 197 T HA 0.753 5.103 4.350 -0.000 0.000 0.285 197 T C -0.481 174.342 174.700 0.204 0.000 1.009 197 T CA -0.752 61.523 62.100 0.291 0.000 0.989 197 T CB 2.131 71.254 68.868 0.423 0.000 1.004 197 T HN 0.672 nan 8.240 nan 0.000 0.455 198 T N 0.589 115.264 114.554 0.201 0.000 2.830 198 T HA 0.387 4.737 4.350 -0.000 0.000 0.322 198 T C -0.437 174.395 174.700 0.220 0.000 1.501 198 T CA -0.694 61.510 62.100 0.173 0.000 1.036 198 T CB 1.509 70.457 68.868 0.134 0.000 1.379 198 T HN 0.524 nan 8.240 nan 0.000 0.493 199 N N 1.407 120.208 118.700 0.169 0.000 2.236 199 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 199 N C -0.348 175.295 175.510 0.223 0.000 1.114 199 N CA 0.042 53.185 53.050 0.155 0.000 0.859 199 N CB 0.435 38.967 38.487 0.075 0.000 0.982 199 N HN 0.638 nan 8.380 nan 0.000 0.493 200 D N 1.051 121.571 120.400 0.200 0.000 2.313 200 D HA 0.033 4.673 4.640 -0.000 0.000 0.239 200 D C 0.005 176.343 176.300 0.064 0.000 1.142 200 D CA -0.296 53.779 54.000 0.124 0.000 0.847 200 D CB 1.212 42.050 40.800 0.063 0.000 1.082 200 D HN -0.086 nan 8.370 nan 0.000 0.480 201 D N 3.005 123.463 120.400 0.098 0.000 2.123 201 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 201 D C 1.138 177.377 176.300 -0.100 0.000 0.992 201 D CA 1.072 55.064 54.000 -0.012 0.000 0.833 201 D CB 0.246 41.097 40.800 0.086 0.000 0.954 201 D HN 0.510 nan 8.370 nan 0.000 0.455 202 D N -0.262 120.118 120.400 -0.033 0.000 2.097 202 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 202 D C 2.091 178.365 176.300 -0.044 0.000 0.989 202 D CA 0.311 54.292 54.000 -0.030 0.000 0.827 202 D CB -0.345 40.452 40.800 -0.005 0.000 0.966 202 D HN 0.069 nan 8.370 nan 0.000 0.456 203 L N 0.937 122.138 121.223 -0.037 0.000 2.012 203 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 203 L C 2.212 179.048 176.870 -0.057 0.000 1.073 203 L CA 1.687 56.511 54.840 -0.026 0.000 0.748 203 L CB -0.993 41.064 42.059 -0.004 0.000 0.891 203 L HN -0.014 nan 8.230 nan 0.000 0.431 204 A N -1.070 121.662 122.820 -0.147 0.000 1.933 204 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 204 A C 2.417 179.920 177.584 -0.136 0.000 1.175 204 A CA 1.849 53.760 52.037 -0.211 0.000 0.628 204 A CB -0.976 17.651 19.000 -0.621 0.000 0.814 204 A HN 0.498 nan 8.150 nan 0.000 0.444 205 A N -0.599 122.145 122.820 -0.126 0.000 1.929 205 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 205 A C 2.102 179.671 177.584 -0.025 0.000 1.176 205 A CA 1.802 53.800 52.037 -0.064 0.000 0.628 205 A CB -0.351 18.619 19.000 -0.050 0.000 0.816 205 A HN 0.503 nan 8.150 nan 0.000 0.444 206 K N -0.917 119.471 120.400 -0.020 0.000 2.057 206 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 206 K C 2.063 178.678 176.600 0.024 0.000 1.049 206 K CA 1.767 58.056 56.287 0.004 0.000 0.931 206 K CB -0.252 32.253 32.500 0.007 0.000 0.714 206 K HN 0.496 nan 8.250 nan 0.000 0.440 207 M N -0.099 119.515 119.600 0.024 0.000 2.117 207 M HA -0.173 4.307 4.480 -0.000 0.000 0.262 207 M C 2.026 178.368 176.300 0.069 0.000 1.065 207 M CA 1.635 56.970 55.300 0.058 0.000 1.114 207 M CB -0.133 32.496 32.600 0.048 0.000 1.361 207 M HN 0.042 nan 8.290 nan 0.000 0.408 208 R N -0.088 120.436 120.500 0.041 0.000 2.115 208 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 208 R C 2.144 178.476 176.300 0.053 0.000 1.111 208 R CA 1.036 57.167 56.100 0.051 0.000 0.976 208 R CB -0.516 29.803 30.300 0.031 0.000 0.870 208 R HN 0.266 nan 8.270 nan 0.000 0.445 209 L N 0.888 122.133 121.223 0.037 0.000 2.027 209 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 209 L C 1.883 178.774 176.870 0.035 0.000 1.074 209 L CA 1.609 56.467 54.840 0.031 0.000 0.745 209 L CB -0.315 41.754 42.059 0.016 0.000 0.898 209 L HN 0.102 nan 8.230 nan 0.000 0.433 210 L N -0.556 120.692 121.223 0.042 0.000 2.093 210 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 210 L C 2.808 179.743 176.870 0.108 0.000 1.085 210 L CA 1.395 56.254 54.840 0.032 0.000 0.755 210 L CB -0.486 41.643 42.059 0.117 0.000 0.904 210 L HN 0.335 nan 8.230 nan 0.000 0.435 211 R N 0.467 121.061 120.500 0.156 0.000 2.096 211 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 211 R C 1.420 177.805 176.300 0.141 0.000 1.127 211 R CA 1.279 57.496 56.100 0.195 0.000 0.968 211 R CB -0.253 30.157 30.300 0.183 0.000 0.861 211 R HN 0.327 nan 8.270 nan 0.000 0.440 212 G N 0.211 109.074 108.800 0.106 0.000 3.709 212 G HA2 0.030 3.990 3.960 -0.000 0.000 0.272 212 G HA3 0.030 3.990 3.960 -0.000 0.000 0.272 212 G C -0.272 174.700 174.900 0.120 0.000 1.259 212 G CA -0.324 44.840 45.100 0.106 0.000 1.512 212 G HN 0.330 nan 8.290 nan 0.000 0.625 213 Q N -0.986 118.866 119.800 0.086 0.000 2.452 213 Q HA -0.256 4.084 4.340 -0.000 0.000 0.248 213 Q C 1.610 177.694 176.000 0.140 0.000 0.874 213 Q CA 1.336 57.184 55.803 0.076 0.000 1.208 213 Q CB -1.809 27.056 28.738 0.212 0.000 1.569 213 Q HN 1.594 nan 8.270 nan 0.000 0.579 214 G N 0.188 109.035 108.800 0.078 0.000 2.155 214 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 214 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 214 G C 0.165 175.156 174.900 0.151 0.000 0.983 214 G CA 0.781 45.929 45.100 0.079 0.000 0.676 214 G HN 0.379 nan 8.290 nan 0.000 0.528 215 M N 1.075 120.738 119.600 0.105 0.000 2.243 215 M HA 0.292 4.771 4.480 -0.000 0.000 0.341 215 M C 0.313 176.532 176.300 -0.136 0.000 1.130 215 M CA -0.420 54.732 55.300 -0.248 0.000 1.162 215 M CB 0.449 32.837 32.600 -0.354 0.000 1.497 215 M HN 0.178 nan 8.290 nan 0.000 0.456 216 D N 5.652 125.970 120.400 -0.137 0.000 2.371 216 D HA 0.090 4.730 4.640 -0.000 0.000 0.256 216 D C -1.751 174.514 176.300 -0.059 0.000 1.193 216 D CA -1.688 52.300 54.000 -0.020 0.000 0.881 216 D CB 1.070 41.923 40.800 0.089 0.000 1.143 216 D HN 0.327 nan 8.370 nan 0.000 0.473 217 P HA -0.110 nan 4.420 nan 0.000 0.221 217 P C 0.200 177.468 177.300 -0.053 0.000 1.145 217 P CA 0.911 63.986 63.100 -0.042 0.000 0.795 217 P CB 0.345 32.031 31.700 -0.024 0.000 0.775 218 N N -0.923 117.745 118.700 -0.054 0.000 2.187 218 N HA 0.071 4.811 4.740 -0.000 0.000 0.212 218 N C 0.362 175.823 175.510 -0.082 0.000 1.152 218 N CA -0.016 52.995 53.050 -0.065 0.000 0.872 218 N CB 1.037 39.488 38.487 -0.060 0.000 1.025 218 N HN 0.177 nan 8.380 nan 0.000 0.514 219 R N 1.194 121.648 120.500 -0.076 0.000 2.575 219 R HA 0.216 4.556 4.340 -0.000 0.000 0.292 219 R C -0.983 175.276 176.300 -0.068 0.000 1.246 219 R CA -0.681 55.376 56.100 -0.072 0.000 0.973 219 R CB 1.065 31.311 30.300 -0.089 0.000 1.187 219 R HN -0.201 nan 8.270 nan 0.000 0.478 220 R N 3.623 124.039 120.500 -0.141 0.000 2.480 220 R HA -0.077 4.263 4.340 -0.000 0.000 0.303 220 R C -0.524 175.647 176.300 -0.215 0.000 0.985 220 R CA 0.920 56.840 56.100 -0.298 0.000 1.051 220 R CB -0.208 29.823 30.300 -0.447 0.000 0.935 220 R HN 0.645 nan 8.270 nan 0.000 0.410 221 Y N 0.917 121.132 120.300 -0.141 0.000 4.409 221 Y HA -0.275 4.275 4.550 -0.000 0.000 0.228 221 Y C -0.466 175.352 175.900 -0.137 0.000 1.108 221 Y CA 0.741 58.776 58.100 -0.109 0.000 1.955 221 Y CB -2.272 36.297 38.460 0.182 0.000 1.615 221 Y HN 0.665 nan 8.280 nan 0.000 0.665 222 W N 1.790 122.876 121.300 -0.357 0.000 2.314 222 W HA 0.564 5.224 4.660 -0.000 0.000 0.310 222 W C -1.219 175.026 176.519 -0.456 0.000 1.075 222 W CA -0.970 56.245 57.345 -0.218 0.000 1.253 222 W CB 0.544 29.930 29.460 -0.124 0.000 1.238 222 W HN -0.075 nan 8.180 nan 0.000 0.440 223 F N 7.852 127.537 119.950 -0.442 0.000 2.382 223 F HA 0.264 4.791 4.527 -0.000 0.000 0.361 223 F C -1.144 174.447 175.800 -0.349 0.000 1.109 223 F CA -2.028 55.802 58.000 -0.284 0.000 1.031 223 F CB 0.954 39.812 39.000 -0.238 0.000 1.234 223 F HN 0.204 nan 8.300 nan 0.000 0.445 224 P HA 0.040 nan 4.420 nan 0.000 0.227 224 P C 0.020 177.313 177.300 -0.012 0.000 1.161 224 P CA 1.049 64.155 63.100 0.010 0.000 0.788 224 P CB 0.737 32.498 31.700 0.102 0.000 0.822 225 I N -5.410 115.155 120.570 -0.009 0.000 3.279 225 I HA 0.467 4.637 4.170 -0.000 0.000 0.315 225 I C -0.814 175.241 176.117 -0.103 0.000 1.187 225 I CA -1.774 59.493 61.300 -0.055 0.000 0.953 225 I CB 2.253 40.219 38.000 -0.056 0.000 1.279 225 I HN -0.495 nan 8.210 nan 0.000 0.465 226 V N 2.480 122.291 119.914 -0.173 0.000 2.455 226 V HA 0.609 4.729 4.120 -0.000 0.000 0.273 226 V C 0.800 176.614 176.094 -0.468 0.000 1.045 226 V CA 0.557 62.688 62.300 -0.283 0.000 0.976 226 V CB 0.071 31.737 31.823 -0.263 0.000 0.993 226 V HN 0.973 nan 8.190 nan 0.000 0.475 227 G N 3.514 112.000 108.800 -0.523 0.000 3.209 227 G HA2 0.810 4.770 3.960 -0.000 0.000 0.236 227 G HA3 0.810 4.770 3.960 -0.000 0.000 0.236 227 G C -1.474 172.855 174.900 -0.951 0.000 1.329 227 G CA -0.524 44.151 45.100 -0.708 0.000 1.015 227 G HN 0.383 nan 8.290 nan 0.000 0.571 228 F N -1.453 118.323 119.950 -0.290 0.000 2.650 228 F HA 0.486 5.013 4.527 -0.000 0.000 0.320 228 F C -0.164 175.419 175.800 -0.363 0.000 1.091 228 F CA -1.228 56.460 58.000 -0.521 0.000 0.962 228 F CB 2.057 40.338 39.000 -1.199 0.000 1.363 228 F HN 0.301 nan 8.300 nan 0.000 0.482 229 N N 0.758 119.394 118.700 -0.107 0.000 2.817 229 N HA 0.171 4.911 4.740 -0.000 0.000 0.234 229 N C -1.200 174.454 175.510 0.240 0.000 1.066 229 N CA -0.096 52.989 53.050 0.058 0.000 0.926 229 N CB -0.152 38.382 38.487 0.077 0.000 1.176 229 N HN 0.444 nan 8.380 nan 0.000 0.506 230 Y N 1.027 121.409 120.300 0.138 0.000 2.706 230 Y HA 0.368 4.918 4.550 -0.000 0.000 0.255 230 Y C 0.575 176.532 175.900 0.096 0.000 1.163 230 Y CA -0.637 57.520 58.100 0.096 0.000 1.174 230 Y CB 0.021 38.522 38.460 0.068 0.000 1.200 230 Y HN 0.179 nan 8.280 nan 0.000 0.544 231 R N 0.538 121.187 120.500 0.248 0.000 2.582 231 R HA 0.290 4.630 4.340 -0.000 0.000 0.271 231 R C 0.296 176.697 176.300 0.168 0.000 1.078 231 R CA -0.391 55.822 56.100 0.188 0.000 1.127 231 R CB 1.000 31.397 30.300 0.160 0.000 1.038 231 R HN 0.185 nan 8.270 nan 0.000 0.500 232 M N 1.238 120.935 119.600 0.161 0.000 2.247 232 M HA 0.112 4.592 4.480 -0.000 0.000 0.326 232 M C 0.135 176.524 176.300 0.149 0.000 1.134 232 M CA -0.021 55.375 55.300 0.161 0.000 1.136 232 M CB 1.228 33.944 32.600 0.193 0.000 1.454 232 M HN 0.739 nan 8.290 nan 0.000 0.467 233 T N -0.021 114.612 114.554 0.133 0.000 2.881 233 T HA 0.239 4.589 4.350 -0.000 0.000 0.278 233 T C 0.643 175.421 174.700 0.130 0.000 0.982 233 T CA -0.750 61.427 62.100 0.128 0.000 0.989 233 T CB 0.880 69.811 68.868 0.105 0.000 1.058 233 T HN 0.807 nan 8.240 nan 0.000 0.529 234 N N 0.052 118.844 118.700 0.154 0.000 2.223 234 N HA -0.021 4.719 4.740 -0.000 0.000 0.185 234 N C 1.601 177.160 175.510 0.081 0.000 1.016 234 N CA 1.081 54.242 53.050 0.185 0.000 0.863 234 N CB -0.613 38.036 38.487 0.270 0.000 0.983 234 N HN 0.699 nan 8.380 nan 0.000 0.429 235 I N 0.083 120.679 120.570 0.044 0.000 2.353 235 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 235 I C 2.126 178.183 176.117 -0.100 0.000 1.119 235 I CA 0.845 62.117 61.300 -0.047 0.000 1.417 235 I CB -0.223 37.768 38.000 -0.014 0.000 1.078 235 I HN 0.226 nan 8.210 nan 0.000 0.421 236 Q N 0.666 120.443 119.800 -0.039 0.000 2.050 236 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 236 Q C 2.454 178.348 176.000 -0.177 0.000 0.980 236 Q CA 1.990 57.755 55.803 -0.064 0.000 0.840 236 Q CB -0.306 28.454 28.738 0.036 0.000 0.898 236 Q HN 0.567 nan 8.270 nan 0.000 0.424 237 A N 0.816 123.579 122.820 -0.095 0.000 1.933 237 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 237 A C 2.261 179.604 177.584 -0.402 0.000 1.175 237 A CA 1.553 53.499 52.037 -0.151 0.000 0.628 237 A CB -0.861 18.253 19.000 0.190 0.000 0.814 237 A HN 0.410 nan 8.150 nan 0.000 0.444 238 A N 0.142 122.697 122.820 -0.441 0.000 1.877 238 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 238 A C 2.115 179.445 177.584 -0.423 0.000 1.186 238 A CA 1.619 53.171 52.037 -0.808 0.000 0.620 238 A CB -0.648 17.736 19.000 -1.026 0.000 0.822 238 A HN 0.502 nan 8.150 nan 0.000 0.443 239 I N -0.314 120.032 120.570 -0.373 0.000 2.226 239 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 239 I C 2.691 178.536 176.117 -0.454 0.000 1.100 239 I CA 1.106 62.216 61.300 -0.316 0.000 1.374 239 I CB -0.642 37.211 38.000 -0.244 0.000 1.057 239 I HN 0.398 nan 8.210 nan 0.000 0.413 240 G N 1.018 109.349 108.800 -0.781 0.000 2.418 240 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 240 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 240 G C 1.663 175.871 174.900 -1.152 0.000 1.158 240 G CA 0.590 44.892 45.100 -1.331 0.000 0.771 240 G HN 0.245 nan 8.290 nan 0.000 0.545 241 L N 1.338 121.996 121.223 -0.942 0.000 2.017 241 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 241 L C 3.125 179.998 176.870 0.006 0.000 1.073 241 L CA 2.246 56.956 54.840 -0.216 0.000 0.745 241 L CB -0.668 41.420 42.059 0.049 0.000 0.894 241 L HN 0.237 nan 8.230 nan 0.000 0.432 242 A N -1.263 121.572 122.820 0.025 0.000 1.908 242 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 242 A C 2.187 179.740 177.584 -0.051 0.000 1.181 242 A CA 1.776 53.789 52.037 -0.040 0.000 0.627 242 A CB -0.577 18.282 19.000 -0.233 0.000 0.818 242 A HN 0.631 nan 8.150 nan 0.000 0.445 243 Q N -1.105 118.628 119.800 -0.111 0.000 2.050 243 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 243 Q C 2.147 178.160 176.000 0.022 0.000 0.980 243 Q CA 1.488 57.256 55.803 -0.058 0.000 0.840 243 Q CB -0.543 28.066 28.738 -0.214 0.000 0.898 243 Q HN 0.586 nan 8.270 nan 0.000 0.424 244 L N 1.601 122.812 121.223 -0.021 0.000 2.131 244 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 244 L C 1.901 178.769 176.870 -0.003 0.000 1.092 244 L CA 1.669 56.508 54.840 -0.002 0.000 0.759 244 L CB -0.376 41.764 42.059 0.135 0.000 0.903 244 L HN 0.173 nan 8.230 nan 0.000 0.435 245 E N -0.593 119.633 120.200 0.044 0.000 2.219 245 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 245 E C 1.280 177.894 176.600 0.023 0.000 0.998 245 E CA 1.111 57.539 56.400 0.047 0.000 0.818 245 E CB -0.001 29.738 29.700 0.065 0.000 0.741 245 E HN 0.471 nan 8.360 nan 0.000 0.477 246 R N -0.020 120.505 120.500 0.042 0.000 2.652 246 R HA 0.122 4.462 4.340 -0.000 0.000 0.372 246 R C 1.484 177.814 176.300 0.051 0.000 1.104 246 R CA -0.156 55.932 56.100 -0.019 0.000 1.072 246 R CB 0.717 30.938 30.300 -0.132 0.000 1.367 246 R HN -0.004 nan 8.270 nan 0.000 0.577 247 V N 1.188 121.157 119.914 0.091 0.000 2.392 247 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 247 V C 1.317 177.477 176.094 0.110 0.000 1.059 247 V CA 2.170 64.534 62.300 0.108 0.000 1.051 247 V CB -0.009 31.710 31.823 -0.173 0.000 0.658 247 V HN 0.353 nan 8.190 nan 0.000 0.455 248 D N -0.573 119.865 120.400 0.063 0.000 2.178 248 D HA -0.152 4.488 4.640 -0.000 0.000 0.202 248 D C 2.099 178.421 176.300 0.037 0.000 0.974 248 D CA 1.387 55.434 54.000 0.078 0.000 0.841 248 D CB -0.021 40.826 40.800 0.079 0.000 0.953 248 D HN 0.561 nan 8.370 nan 0.000 0.478 249 E N -0.020 120.157 120.200 -0.038 0.000 2.072 249 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 249 E C 2.075 178.623 176.600 -0.087 0.000 0.985 249 E CA 0.719 57.059 56.400 -0.100 0.000 0.801 249 E CB -0.175 29.402 29.700 -0.206 0.000 0.750 249 E HN 0.394 nan 8.360 nan 0.000 0.452 250 H N 0.092 119.188 119.070 0.043 0.000 2.319 250 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 250 H C 2.201 177.585 175.328 0.093 0.000 1.092 250 H CA 1.226 57.314 56.048 0.067 0.000 1.302 250 H CB -0.324 29.482 29.762 0.073 0.000 1.373 250 H HN 0.165 nan 8.280 nan 0.000 0.497 251 L N 0.015 121.364 121.223 0.211 0.000 2.056 251 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 251 L C 2.892 179.836 176.870 0.123 0.000 1.078 251 L CA 0.881 55.837 54.840 0.193 0.000 0.749 251 L CB -0.463 41.717 42.059 0.201 0.000 0.901 251 L HN 0.197 nan 8.230 nan 0.000 0.433 252 A N 0.027 122.889 122.820 0.070 0.000 1.933 252 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 252 A C 2.515 180.084 177.584 -0.025 0.000 1.175 252 A CA 1.675 53.719 52.037 0.012 0.000 0.628 252 A CB -0.630 18.363 19.000 -0.012 0.000 0.814 252 A HN 0.403 nan 8.150 nan 0.000 0.444 253 A N -0.481 122.340 122.820 0.001 0.000 1.930 253 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 253 A C 2.235 179.803 177.584 -0.028 0.000 1.175 253 A CA 1.499 53.523 52.037 -0.022 0.000 0.627 253 A CB -0.397 18.628 19.000 0.042 0.000 0.815 253 A HN 0.523 nan 8.150 nan 0.000 0.443 254 R N -0.537 119.994 120.500 0.053 0.000 2.115 254 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 254 R C 2.010 178.296 176.300 -0.023 0.000 1.100 254 R CA 1.236 57.375 56.100 0.064 0.000 0.980 254 R CB -0.175 30.236 30.300 0.186 0.000 0.875 254 R HN 0.655 nan 8.270 nan 0.000 0.445 255 E N -0.100 120.082 120.200 -0.030 0.000 2.153 255 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 255 E C 1.969 178.410 176.600 -0.265 0.000 0.988 255 E CA 0.923 57.261 56.400 -0.103 0.000 0.811 255 E CB 0.044 29.703 29.700 -0.068 0.000 0.746 255 E HN 0.158 nan 8.360 nan 0.000 0.466 256 R N 0.454 120.747 120.500 -0.346 0.000 2.075 256 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 256 R C 2.230 177.979 176.300 -0.919 0.000 1.126 256 R CA 0.880 56.567 56.100 -0.688 0.000 0.963 256 R CB -0.147 29.766 30.300 -0.645 0.000 0.858 256 R HN -0.024 nan 8.270 nan 0.000 0.435 257 V N -0.155 119.457 119.914 -0.502 0.000 2.295 257 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 257 V C 2.228 178.189 176.094 -0.220 0.000 1.049 257 V CA 1.756 63.913 62.300 -0.239 0.000 1.024 257 V CB -0.276 31.510 31.823 -0.061 0.000 0.648 257 V HN 0.200 nan 8.190 nan 0.000 0.447 258 V N 0.835 120.598 119.914 -0.252 0.000 2.343 258 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 258 V C 2.624 178.527 176.094 -0.318 0.000 1.051 258 V CA 2.149 64.236 62.300 -0.355 0.000 1.036 258 V CB -1.370 30.140 31.823 -0.522 0.000 0.654 258 V HN 0.621 nan 8.190 nan 0.000 0.451 259 G N -1.043 107.562 108.800 -0.325 0.000 2.440 259 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 259 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 259 G C 1.320 176.121 174.900 -0.165 0.000 1.154 259 G CA 0.750 45.691 45.100 -0.266 0.000 0.767 259 G HN 0.486 nan 8.290 nan 0.000 0.552 260 W N 0.184 121.352 121.300 -0.220 0.000 2.355 260 W HA 0.006 4.666 4.660 -0.000 0.000 0.309 260 W C 2.344 178.688 176.519 -0.292 0.000 1.206 260 W CA 0.599 57.787 57.345 -0.262 0.000 1.284 260 W CB -1.307 27.951 29.460 -0.337 0.000 1.145 260 W HN 0.257 nan 8.180 nan 0.000 0.502 261 Y N 0.843 121.052 120.300 -0.152 0.000 2.128 261 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 261 Y C 2.546 178.329 175.900 -0.195 0.000 1.154 261 Y CA 1.823 59.725 58.100 -0.330 0.000 1.149 261 Y CB -0.895 36.960 38.460 -1.008 0.000 0.976 261 Y HN -0.062 nan 8.280 nan 0.000 0.505 262 E N 0.120 120.311 120.200 -0.015 0.000 2.110 262 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 262 E C 1.964 178.591 176.600 0.046 0.000 0.988 262 E CA 1.522 57.951 56.400 0.047 0.000 0.804 262 E CB -0.348 29.360 29.700 0.012 0.000 0.745 262 E HN 0.746 nan 8.360 nan 0.000 0.458 263 Q N 0.288 120.108 119.800 0.033 0.000 2.451 263 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 263 Q C 1.182 177.205 176.000 0.038 0.000 0.947 263 Q CA 0.665 56.491 55.803 0.039 0.000 0.937 263 Q CB 0.075 28.841 28.738 0.047 0.000 1.025 263 Q HN 0.047 nan 8.270 nan 0.000 0.511 264 K N -0.211 120.212 120.400 0.037 0.000 2.358 264 K HA 0.141 4.461 4.320 -0.000 0.000 0.200 264 K C 1.198 177.826 176.600 0.046 0.000 1.030 264 K CA -0.203 56.098 56.287 0.024 0.000 1.097 264 K CB 0.464 32.958 32.500 -0.010 0.000 0.862 264 K HN 0.020 nan 8.250 nan 0.000 0.534 265 L N 1.290 122.558 121.223 0.076 0.000 2.275 265 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 265 L C 2.140 179.050 176.870 0.068 0.000 1.119 265 L CA 1.216 56.112 54.840 0.095 0.000 0.790 265 L CB -0.429 41.715 42.059 0.141 0.000 0.919 265 L HN 0.159 nan 8.230 nan 0.000 0.443 266 A N -0.589 122.262 122.820 0.051 0.000 2.024 266 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 266 A C 2.420 180.023 177.584 0.031 0.000 1.164 266 A CA 1.671 53.731 52.037 0.039 0.000 0.643 266 A CB -0.663 18.355 19.000 0.030 0.000 0.806 266 A HN 0.474 nan 8.150 nan 0.000 0.451 267 R N -0.215 120.303 120.500 0.029 0.000 2.159 267 R HA -0.062 4.277 4.340 -0.000 0.000 0.237 267 R C 1.337 177.652 176.300 0.026 0.000 1.131 267 R CA 1.535 57.648 56.100 0.021 0.000 0.982 267 R CB -0.337 29.972 30.300 0.016 0.000 0.868 267 R HN 0.541 nan 8.270 nan 0.000 0.453 268 L N -0.438 120.807 121.223 0.037 0.000 2.477 268 L HA 0.277 4.617 4.340 -0.000 0.000 0.220 268 L C 1.423 178.313 176.870 0.033 0.000 1.106 268 L CA 0.172 55.034 54.840 0.038 0.000 0.851 268 L CB -0.397 41.693 42.059 0.052 0.000 0.994 268 L HN 0.520 nan 8.230 nan 0.000 0.462 269 G N 2.354 111.174 108.800 0.033 0.000 2.574 269 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.282 269 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.282 269 G C 0.508 175.425 174.900 0.029 0.000 1.257 269 G CA 0.453 45.570 45.100 0.028 0.000 0.956 269 G HN 0.539 nan 8.290 nan 0.000 0.560 270 N N 0.860 119.574 118.700 0.024 0.000 2.515 270 N HA 0.010 4.750 4.740 -0.000 0.000 0.191 270 N C 1.719 177.242 175.510 0.022 0.000 1.182 270 N CA 1.126 54.189 53.050 0.022 0.000 0.879 270 N CB -0.205 38.292 38.487 0.017 0.000 0.984 270 N HN 0.716 nan 8.380 nan 0.000 0.453 271 R N -0.156 120.358 120.500 0.023 0.000 2.280 271 R HA 0.044 4.384 4.340 -0.000 0.000 0.207 271 R C 0.294 176.609 176.300 0.024 0.000 1.043 271 R CA 0.734 56.847 56.100 0.022 0.000 1.006 271 R CB 0.038 30.351 30.300 0.022 0.000 0.885 271 R HN 0.328 nan 8.270 nan 0.000 0.467 272 V N -4.165 115.766 119.914 0.029 0.000 3.159 272 V HA 0.493 4.613 4.120 -0.000 0.000 0.308 272 V C -0.570 175.542 176.094 0.031 0.000 1.190 272 V CA -0.999 61.318 62.300 0.029 0.000 1.037 272 V CB 2.325 34.170 31.823 0.037 0.000 1.060 272 V HN -0.240 nan 8.190 nan 0.000 0.437 273 T N 2.959 117.528 114.554 0.026 0.000 2.786 273 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 273 T C -0.171 174.541 174.700 0.020 0.000 0.992 273 T CA -0.652 61.463 62.100 0.026 0.000 0.954 273 T CB 1.018 69.896 68.868 0.016 0.000 0.934 273 T HN 1.075 nan 8.240 nan 0.000 0.440 274 K N 3.663 124.081 120.400 0.029 0.000 2.219 274 K HA 0.326 4.646 4.320 -0.000 0.000 0.258 274 K C -2.487 174.104 176.600 -0.015 0.000 1.008 274 K CA -1.540 54.742 56.287 -0.009 0.000 0.928 274 K CB 0.005 32.550 32.500 0.074 0.000 0.983 274 K HN 0.188 nan 8.250 nan 0.000 0.484 275 P HA -0.034 nan 4.420 nan 0.000 0.266 275 P C -0.925 176.470 177.300 0.159 0.000 1.215 275 P CA 0.188 63.323 63.100 0.059 0.000 0.763 275 P CB 0.225 31.940 31.700 0.025 0.000 0.806 276 H N 3.230 122.349 119.070 0.082 0.000 2.732 276 H HA 0.217 4.773 4.556 -0.000 0.000 0.351 276 H C -0.650 174.780 175.328 0.170 0.000 1.090 276 H CA 0.075 56.174 56.048 0.086 0.000 1.431 276 H CB 0.460 30.227 29.762 0.010 0.000 1.447 276 H HN 0.044 nan 8.280 nan 0.000 0.582 277 V N 5.416 125.026 119.914 -0.507 0.000 2.334 277 V HA 0.435 4.555 4.120 -0.000 0.000 0.281 277 V C 0.345 176.201 176.094 -0.396 0.000 1.016 277 V CA -0.473 61.703 62.300 -0.207 0.000 0.832 277 V CB 0.605 32.448 31.823 0.032 0.000 0.999 277 V HN 1.074 nan 8.190 nan 0.000 0.439 278 A N 5.388 128.116 122.820 -0.153 0.000 2.462 278 A HA 0.447 4.767 4.320 -0.000 0.000 0.243 278 A C 0.703 178.278 177.584 -0.015 0.000 1.076 278 A CA -0.152 51.877 52.037 -0.014 0.000 0.773 278 A CB 0.150 19.197 19.000 0.078 0.000 1.010 278 A HN 0.889 nan 8.150 nan 0.000 0.493 279 L N 2.583 123.806 121.223 -0.000 0.000 2.715 279 L HA 0.029 4.369 4.340 -0.000 0.000 0.238 279 L C 1.743 178.581 176.870 -0.053 0.000 1.212 279 L CA 0.792 55.623 54.840 -0.015 0.000 1.017 279 L CB -0.979 41.078 42.059 -0.004 0.000 1.269 279 L HN 1.001 nan 8.230 nan 0.000 0.452 280 T N -3.639 110.867 114.554 -0.078 0.000 3.100 280 T HA 0.380 4.730 4.350 -0.000 0.000 0.253 280 T C 0.867 175.428 174.700 -0.232 0.000 1.118 280 T CA 0.385 62.347 62.100 -0.230 0.000 1.058 280 T CB 0.635 69.297 68.868 -0.343 0.000 0.953 280 T HN 0.427 nan 8.240 nan 0.000 0.515 281 G N 0.527 109.277 108.800 -0.084 0.000 2.323 281 G HA2 0.375 4.335 3.960 -0.000 0.000 0.291 281 G HA3 0.375 4.335 3.960 -0.000 0.000 0.291 281 G C -1.737 173.177 174.900 0.023 0.000 1.278 281 G CA -1.253 43.823 45.100 -0.041 0.000 0.860 281 G HN 0.359 nan 8.290 nan 0.000 0.504 282 R N 0.233 120.762 120.500 0.048 0.000 2.389 282 R HA 0.334 4.674 4.340 -0.000 0.000 0.295 282 R C -0.702 175.673 176.300 0.126 0.000 1.075 282 R CA -0.529 55.631 56.100 0.100 0.000 1.005 282 R CB 0.265 30.627 30.300 0.102 0.000 0.987 282 R HN 0.587 nan 8.270 nan 0.000 0.452 283 H N 5.345 124.434 119.070 0.033 0.000 2.594 283 H HA 0.087 4.643 4.556 -0.000 0.000 0.304 283 H C 0.705 176.033 175.328 0.000 0.000 1.068 283 H CA -0.461 55.536 56.048 -0.086 0.000 1.308 283 H CB 1.397 30.997 29.762 -0.270 0.000 1.409 283 H HN 0.512 nan 8.280 nan 0.000 0.460 284 V N 3.117 123.258 119.914 0.379 0.000 3.573 284 V HA 0.113 4.233 4.120 -0.000 0.000 0.270 284 V C 0.466 176.850 176.094 0.483 0.000 1.221 284 V CA 0.074 62.608 62.300 0.390 0.000 1.163 284 V CB -1.411 30.610 31.823 0.331 0.000 0.847 284 V HN 0.670 nan 8.190 nan 0.000 0.468 285 F N -0.816 119.443 119.950 0.515 0.000 2.891 285 F HA -0.215 4.312 4.527 -0.000 0.000 0.272 285 F C 1.073 177.060 175.800 0.312 0.000 1.004 285 F CA 0.912 59.087 58.000 0.292 0.000 0.938 285 F CB -2.146 36.899 39.000 0.076 0.000 0.939 285 F HN 0.583 nan 8.300 nan 0.000 0.833 286 W N 1.085 122.605 121.300 0.365 0.000 2.363 286 W HA 0.027 4.687 4.660 -0.000 0.000 0.296 286 W C 0.826 177.527 176.519 0.303 0.000 1.212 286 W CA 1.515 59.045 57.345 0.309 0.000 1.260 286 W CB 0.176 29.804 29.460 0.279 0.000 1.131 286 W HN 0.072 nan 8.180 nan 0.000 0.530 287 M N -0.012 119.516 119.600 -0.121 0.000 2.433 287 M HA 0.127 4.607 4.480 -0.000 0.000 0.290 287 M C -1.824 174.471 176.300 -0.009 0.000 1.173 287 M CA -1.228 53.855 55.300 -0.360 0.000 0.905 287 M CB 1.123 33.280 32.600 -0.739 0.000 1.692 287 M HN -0.100 nan 8.290 nan 0.000 0.462 288 Y N 2.028 122.240 120.300 -0.146 0.000 2.425 288 Y HA 0.446 4.996 4.550 -0.000 0.000 0.347 288 Y C -0.445 175.278 175.900 -0.296 0.000 0.976 288 Y CA 0.330 58.356 58.100 -0.122 0.000 1.190 288 Y CB 0.657 38.900 38.460 -0.361 0.000 1.136 288 Y HN 0.569 nan 8.280 nan 0.000 0.517 289 T N 7.036 121.284 114.554 -0.509 0.000 2.786 289 T HA 0.501 4.851 4.350 -0.000 0.000 0.283 289 T C -0.487 174.019 174.700 -0.323 0.000 0.992 289 T CA -0.686 61.106 62.100 -0.514 0.000 0.954 289 T CB 0.547 68.892 68.868 -0.871 0.000 0.934 289 T HN 0.536 nan 8.240 nan 0.000 0.440 290 V N 1.685 121.458 119.914 -0.235 0.000 2.975 290 V HA 0.721 4.841 4.120 -0.000 0.000 0.318 290 V C -0.317 175.787 176.094 0.016 0.000 1.077 290 V CA -1.354 60.892 62.300 -0.090 0.000 1.000 290 V CB 1.412 33.194 31.823 -0.069 0.000 1.066 290 V HN 0.744 nan 8.190 nan 0.000 0.452 291 R N 2.017 122.553 120.500 0.062 0.000 2.387 291 R HA 0.612 4.952 4.340 -0.000 0.000 0.314 291 R C -1.034 175.286 176.300 0.033 0.000 0.958 291 R CA -0.699 55.446 56.100 0.075 0.000 0.846 291 R CB 1.793 32.146 30.300 0.089 0.000 1.147 291 R HN 0.682 nan 8.270 nan 0.000 0.447 292 L N 1.760 122.997 121.223 0.024 0.000 2.397 292 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 292 L C 1.259 178.141 176.870 0.020 0.000 1.148 292 L CA -0.387 54.463 54.840 0.017 0.000 0.825 292 L CB 0.649 42.714 42.059 0.011 0.000 1.117 292 L HN 0.727 nan 8.230 nan 0.000 0.456 293 G N 1.425 110.236 108.800 0.018 0.000 2.340 293 G HA2 0.056 4.016 3.960 -0.000 0.000 0.245 293 G HA3 0.056 4.016 3.960 -0.000 0.000 0.245 293 G C 0.745 175.654 174.900 0.016 0.000 1.294 293 G CA -0.394 44.716 45.100 0.016 0.000 0.896 293 G HN 0.906 nan 8.290 nan 0.000 0.522 294 E N 2.154 122.363 120.200 0.015 0.000 2.265 294 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 294 E C 2.360 178.968 176.600 0.014 0.000 0.996 294 E CA 0.661 57.071 56.400 0.015 0.000 0.832 294 E CB 0.056 29.764 29.700 0.014 0.000 0.756 294 E HN 0.557 nan 8.360 nan 0.000 0.491 295 G N 1.541 110.349 108.800 0.012 0.000 2.535 295 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 295 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 295 G C 0.690 175.597 174.900 0.012 0.000 1.122 295 G CA 0.158 45.265 45.100 0.011 0.000 0.769 295 G HN 0.042 nan 8.290 nan 0.000 0.549 296 L N 0.417 121.648 121.223 0.013 0.000 2.418 296 L HA 0.266 4.606 4.340 -0.000 0.000 0.265 296 L C 1.961 178.838 176.870 0.012 0.000 1.143 296 L CA -0.147 54.700 54.840 0.013 0.000 0.809 296 L CB 1.579 43.646 42.059 0.013 0.000 1.124 296 L HN 0.131 nan 8.230 nan 0.000 0.456 297 S N 0.105 115.812 115.700 0.012 0.000 2.406 297 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 297 S C 1.039 175.647 174.600 0.012 0.000 1.030 297 S CA 0.648 58.855 58.200 0.011 0.000 0.958 297 S CB 0.109 63.315 63.200 0.010 0.000 0.811 297 S HN 0.759 nan 8.310 nan 0.000 0.489 298 T N 1.853 116.414 114.554 0.012 0.000 2.754 298 T HA 0.462 4.812 4.350 -0.000 0.000 0.286 298 T C 0.133 174.841 174.700 0.014 0.000 0.997 298 T CA 0.198 62.305 62.100 0.013 0.000 0.982 298 T CB 0.765 69.641 68.868 0.012 0.000 1.027 298 T HN 0.632 nan 8.240 nan 0.000 0.529 299 T N 0.700 115.263 114.554 0.015 0.000 2.950 299 T HA 0.444 4.794 4.350 -0.000 0.000 0.288 299 T C 1.224 175.932 174.700 0.015 0.000 1.035 299 T CA -1.042 61.069 62.100 0.018 0.000 1.028 299 T CB 1.466 70.347 68.868 0.022 0.000 1.109 299 T HN 0.500 nan 8.240 nan 0.000 0.514 300 R N 0.518 121.026 120.500 0.013 0.000 2.091 300 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 300 R C 1.101 177.404 176.300 0.005 0.000 1.136 300 R CA 1.999 58.100 56.100 0.003 0.000 0.959 300 R CB -1.012 29.285 30.300 -0.006 0.000 0.856 300 R HN 0.743 nan 8.270 nan 0.000 0.437 301 D N 0.182 120.593 120.400 0.018 0.000 2.144 301 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 301 D C 1.873 178.186 176.300 0.023 0.000 0.978 301 D CA 1.008 55.024 54.000 0.027 0.000 0.833 301 D CB -0.135 40.692 40.800 0.045 0.000 0.961 301 D HN 0.205 nan 8.370 nan 0.000 0.470 302 Q N 0.546 120.358 119.800 0.020 0.000 2.079 302 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 302 Q C 2.028 178.037 176.000 0.014 0.000 0.974 302 Q CA 0.956 56.770 55.803 0.018 0.000 0.840 302 Q CB -0.392 28.355 28.738 0.016 0.000 0.898 302 Q HN 0.091 nan 8.270 nan 0.000 0.430 303 V N 0.625 120.546 119.914 0.011 0.000 2.282 303 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 303 V C 2.262 178.361 176.094 0.008 0.000 1.057 303 V CA 1.977 64.282 62.300 0.009 0.000 1.032 303 V CB -0.593 31.233 31.823 0.005 0.000 0.645 303 V HN 0.420 nan 8.190 nan 0.000 0.447 304 I N -0.733 119.841 120.570 0.007 0.000 2.264 304 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 304 I C 2.578 178.704 176.117 0.016 0.000 1.111 304 I CA 1.646 62.951 61.300 0.008 0.000 1.382 304 I CB -0.427 37.578 38.000 0.008 0.000 1.060 304 I HN 0.301 nan 8.210 nan 0.000 0.418 305 K N 0.558 120.968 120.400 0.018 0.000 2.025 305 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 305 K C 1.729 178.339 176.600 0.016 0.000 1.049 305 K CA 1.483 57.781 56.287 0.019 0.000 0.933 305 K CB -0.066 32.446 32.500 0.020 0.000 0.714 305 K HN 0.248 nan 8.250 nan 0.000 0.438 306 D N 1.023 121.432 120.400 0.014 0.000 2.117 306 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 306 D C 1.939 178.246 176.300 0.013 0.000 0.987 306 D CA 1.005 55.012 54.000 0.012 0.000 0.829 306 D CB -0.169 40.638 40.800 0.011 0.000 0.961 306 D HN 0.153 nan 8.370 nan 0.000 0.460 307 L N 0.471 121.702 121.223 0.014 0.000 2.093 307 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 307 L C 2.157 179.037 176.870 0.017 0.000 1.085 307 L CA 1.037 55.886 54.840 0.016 0.000 0.755 307 L CB -0.329 41.740 42.059 0.018 0.000 0.904 307 L HN -0.043 nan 8.230 nan 0.000 0.435 308 D N 0.207 120.618 120.400 0.019 0.000 2.117 308 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 308 D C 2.182 178.492 176.300 0.018 0.000 0.987 308 D CA 1.330 55.342 54.000 0.021 0.000 0.829 308 D CB 0.141 40.955 40.800 0.023 0.000 0.961 308 D HN 0.251 nan 8.370 nan 0.000 0.460 309 A N -0.069 122.760 122.820 0.015 0.000 2.019 309 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 309 A C 2.109 179.699 177.584 0.010 0.000 1.164 309 A CA 0.802 52.846 52.037 0.012 0.000 0.644 309 A CB -0.629 18.378 19.000 0.011 0.000 0.805 309 A HN 0.398 nan 8.150 nan 0.000 0.449 310 L N -1.132 120.097 121.223 0.010 0.000 2.599 310 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 310 L C 1.480 178.354 176.870 0.007 0.000 1.141 310 L CA 0.470 55.313 54.840 0.006 0.000 0.877 310 L CB -0.329 41.733 42.059 0.005 0.000 1.009 310 L HN 0.575 nan 8.230 nan 0.000 0.447 311 G N 1.167 109.974 108.800 0.011 0.000 2.142 311 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.225 311 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.225 311 G C -0.071 174.841 174.900 0.020 0.000 1.015 311 G CA -0.268 44.841 45.100 0.014 0.000 0.716 311 G HN 0.310 nan 8.290 nan 0.000 0.508 312 I N 0.648 121.231 120.570 0.023 0.000 2.410 312 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 312 I C 0.397 176.536 176.117 0.035 0.000 1.009 312 I CA -0.761 60.557 61.300 0.031 0.000 1.111 312 I CB 1.737 39.754 38.000 0.028 0.000 1.262 312 I HN 0.211 nan 8.210 nan 0.000 0.443 313 E N 4.856 125.083 120.200 0.045 0.000 2.390 313 E HA 0.452 4.802 4.350 -0.000 0.000 0.261 313 E C -0.566 176.057 176.600 0.038 0.000 1.076 313 E CA -0.060 56.367 56.400 0.045 0.000 0.905 313 E CB 0.944 30.678 29.700 0.056 0.000 0.984 313 E HN 0.708 nan 8.360 nan 0.000 0.427 314 S N 3.165 118.879 115.700 0.023 0.000 2.636 314 S HA 0.639 5.109 4.470 -0.000 0.000 0.268 314 S C -1.157 173.435 174.600 -0.015 0.000 1.159 314 S CA -1.204 56.992 58.200 -0.006 0.000 0.815 314 S CB 1.552 64.742 63.200 -0.016 0.000 1.130 314 S HN 0.428 nan 8.310 nan 0.000 0.471 315 R N 0.370 120.833 120.500 -0.061 0.000 2.771 315 R HA 0.684 5.024 4.340 -0.000 0.000 0.274 315 R C -3.183 173.036 176.300 -0.135 0.000 0.987 315 R CA -2.104 53.958 56.100 -0.064 0.000 0.908 315 R CB 1.859 32.132 30.300 -0.045 0.000 1.213 315 R HN 0.559 nan 8.270 nan 0.000 0.468 316 P HA 0.179 nan 4.420 nan 0.000 0.281 316 P C 0.064 177.178 177.300 -0.311 0.000 1.249 316 P CA -0.491 62.494 63.100 -0.190 0.000 0.810 316 P CB 0.919 32.512 31.700 -0.179 0.000 1.008 317 V N 3.264 122.978 119.914 -0.332 0.000 2.872 317 V HA -0.055 4.065 4.120 -0.000 0.000 0.307 317 V C 0.804 176.701 176.094 -0.329 0.000 1.072 317 V CA 0.354 62.413 62.300 -0.402 0.000 1.148 317 V CB -0.881 30.792 31.823 -0.251 0.000 0.954 317 V HN 0.334 nan 8.190 nan 0.000 0.490 318 F N 3.456 123.437 119.950 0.052 0.000 2.628 318 F HA 0.074 4.601 4.527 -0.000 0.000 0.362 318 F C 1.128 176.884 175.800 -0.073 0.000 1.148 318 F CA 0.155 58.166 58.000 0.017 0.000 1.352 318 F CB -0.308 38.751 39.000 0.098 0.000 1.081 318 F HN 0.461 nan 8.300 nan 0.000 0.605 319 H N 2.548 121.771 119.070 0.254 0.000 2.767 319 H HA 0.154 4.710 4.556 -0.000 0.000 0.316 319 H C -2.058 173.346 175.328 0.126 0.000 1.059 319 H CA -1.603 54.524 56.048 0.132 0.000 1.461 319 H CB 0.419 30.226 29.762 0.075 0.000 1.475 319 H HN 0.177 nan 8.280 nan 0.000 0.531 320 P HA -0.062 nan 4.420 nan 0.000 0.267 320 P C 1.338 178.704 177.300 0.109 0.000 1.200 320 P CA -0.267 62.934 63.100 0.169 0.000 0.772 320 P CB 0.741 32.568 31.700 0.211 0.000 0.855 321 M N 2.210 121.873 119.600 0.105 0.000 2.089 321 M HA -0.220 4.260 4.480 -0.000 0.000 0.257 321 M C 1.948 178.326 176.300 0.131 0.000 1.071 321 M CA 2.103 57.457 55.300 0.089 0.000 1.096 321 M CB -1.905 30.665 32.600 -0.049 0.000 1.330 321 M HN 0.589 nan 8.290 nan 0.000 0.403 322 H N 0.331 119.420 119.070 0.031 0.000 2.561 322 H HA 0.004 4.560 4.556 -0.000 0.000 0.278 322 H C 1.684 177.035 175.328 0.039 0.000 1.014 322 H CA 1.310 57.374 56.048 0.025 0.000 1.211 322 H CB -0.958 28.798 29.762 -0.011 0.000 1.365 322 H HN 0.635 nan 8.280 nan 0.000 0.594 323 I N -2.653 117.676 120.570 -0.403 0.000 3.860 323 I HA 0.252 4.422 4.170 -0.000 0.000 0.319 323 I C 0.401 176.451 176.117 -0.112 0.000 1.279 323 I CA -0.264 60.870 61.300 -0.276 0.000 1.220 323 I CB 0.151 37.975 38.000 -0.293 0.000 1.027 323 I HN -0.092 nan 8.210 nan 0.000 0.428 324 M N 1.294 120.860 119.600 -0.058 0.000 2.409 324 M HA 0.390 4.870 4.480 -0.000 0.000 0.329 324 M C -1.614 174.663 176.300 -0.038 0.000 1.180 324 M CA -1.617 53.654 55.300 -0.048 0.000 1.053 324 M CB 0.879 33.461 32.600 -0.030 0.000 1.586 324 M HN -0.282 nan 8.290 nan 0.000 0.461 325 P HA -0.141 nan 4.420 nan 0.000 0.216 325 P C -1.516 175.729 177.300 -0.092 0.000 1.157 325 P CA 1.664 64.726 63.100 -0.062 0.000 0.880 325 P CB -1.113 30.543 31.700 -0.075 0.000 0.791 326 P HA -0.104 nan 4.420 nan 0.000 0.222 326 P C 0.392 177.373 177.300 -0.532 0.000 1.147 326 P CA 1.436 64.277 63.100 -0.432 0.000 0.790 326 P CB -0.256 31.061 31.700 -0.639 0.000 0.780 327 Y N -2.551 117.778 120.300 0.048 0.000 2.707 327 Y HA 0.511 5.061 4.550 -0.000 0.000 0.249 327 Y C 1.952 177.796 175.900 -0.094 0.000 1.166 327 Y CA -0.640 57.424 58.100 -0.060 0.000 1.184 327 Y CB -0.710 37.688 38.460 -0.104 0.000 1.240 327 Y HN -0.149 nan 8.280 nan 0.000 0.547 328 A N 0.231 123.116 122.820 0.109 0.000 2.019 328 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 328 A C 1.943 179.577 177.584 0.083 0.000 1.164 328 A CA 1.954 54.040 52.037 0.082 0.000 0.644 328 A CB -0.883 18.153 19.000 0.059 0.000 0.805 328 A HN 0.655 nan 8.150 nan 0.000 0.449 329 H N -0.653 118.453 119.070 0.060 0.000 2.563 329 H HA 0.129 4.685 4.556 -0.000 0.000 0.272 329 H C 1.039 176.408 175.328 0.069 0.000 1.005 329 H CA 0.955 57.033 56.048 0.051 0.000 1.171 329 H CB -0.457 29.321 29.762 0.027 0.000 1.351 329 H HN 0.475 nan 8.280 nan 0.000 0.602 330 L N 0.686 121.714 121.223 -0.325 0.000 2.728 330 L HA 0.407 4.747 4.340 -0.000 0.000 0.238 330 L C 1.079 177.906 176.870 -0.072 0.000 1.143 330 L CA -0.231 54.479 54.840 -0.217 0.000 0.937 330 L CB 0.171 42.067 42.059 -0.270 0.000 1.225 330 L HN 0.145 nan 8.230 nan 0.000 0.507 331 A N 1.002 123.830 122.820 0.014 0.000 2.498 331 A HA 0.400 4.720 4.320 -0.000 0.000 0.239 331 A C 0.636 178.210 177.584 -0.018 0.000 1.068 331 A CA 0.520 52.598 52.037 0.068 0.000 0.766 331 A CB 0.048 19.160 19.000 0.188 0.000 1.003 331 A HN 0.358 nan 8.150 nan 0.000 0.497 332 T N -1.646 112.853 114.554 -0.093 0.000 2.864 332 T HA 0.535 4.885 4.350 -0.000 0.000 0.289 332 T C 0.053 174.709 174.700 -0.073 0.000 1.082 332 T CA 0.051 62.104 62.100 -0.078 0.000 1.009 332 T CB 1.464 70.273 68.868 -0.100 0.000 1.234 332 T HN 0.565 nan 8.240 nan 0.000 0.526 333 D N -1.123 119.249 120.400 -0.047 0.000 2.340 333 D HA 0.131 4.771 4.640 -0.000 0.000 0.220 333 D C 0.266 176.540 176.300 -0.044 0.000 1.039 333 D CA 0.022 54.005 54.000 -0.028 0.000 0.866 333 D CB -0.031 40.761 40.800 -0.014 0.000 0.913 333 D HN 0.537 nan 8.370 nan 0.000 0.523 334 D N -0.004 120.349 120.400 -0.078 0.000 2.957 334 D HA 0.209 4.849 4.640 -0.000 0.000 0.352 334 D C -0.181 176.054 176.300 -0.109 0.000 1.352 334 D CA -0.287 53.669 54.000 -0.073 0.000 0.831 334 D CB -0.182 40.580 40.800 -0.063 0.000 1.147 334 D HN 0.130 nan 8.370 nan 0.000 0.467 335 L N 0.557 121.692 121.223 -0.146 0.000 3.289 335 L HA 0.299 4.639 4.340 -0.000 0.000 0.291 335 L C 1.756 178.601 176.870 -0.042 0.000 1.279 335 L CA -0.183 54.539 54.840 -0.197 0.000 1.025 335 L CB 0.549 42.233 42.059 -0.624 0.000 1.413 335 L HN -0.111 nan 8.230 nan 0.000 0.593 336 K N 0.329 120.723 120.400 -0.009 0.000 2.097 336 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 336 K C 1.762 178.393 176.600 0.052 0.000 1.049 336 K CA 1.115 57.424 56.287 0.037 0.000 0.933 336 K CB 0.192 32.703 32.500 0.018 0.000 0.717 336 K HN 0.210 nan 8.250 nan 0.000 0.442 337 I N 1.133 121.724 120.570 0.035 0.000 2.286 337 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 337 I C 2.491 178.661 176.117 0.087 0.000 1.104 337 I CA 1.008 62.333 61.300 0.042 0.000 1.397 337 I CB -1.549 36.460 38.000 0.016 0.000 1.072 337 I HN 0.057 nan 8.210 nan 0.000 0.417 338 A N 1.144 124.024 122.820 0.100 0.000 1.865 338 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 338 A C 2.252 179.947 177.584 0.184 0.000 1.191 338 A CA 1.969 54.100 52.037 0.156 0.000 0.623 338 A CB -0.781 18.313 19.000 0.157 0.000 0.826 338 A HN 0.510 nan 8.150 nan 0.000 0.444 339 E N -0.161 120.156 120.200 0.196 0.000 2.077 339 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 339 E C 2.283 178.954 176.600 0.117 0.000 0.989 339 E CA 1.050 57.550 56.400 0.167 0.000 0.800 339 E CB -0.355 29.449 29.700 0.173 0.000 0.746 339 E HN 0.625 nan 8.360 nan 0.000 0.452 340 A N 0.875 123.756 122.820 0.101 0.000 1.902 340 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 340 A C 2.407 180.051 177.584 0.099 0.000 1.181 340 A CA 1.274 53.360 52.037 0.081 0.000 0.623 340 A CB -0.876 18.159 19.000 0.058 0.000 0.818 340 A HN 0.387 nan 8.150 nan 0.000 0.443 341 C N -1.036 118.348 119.300 0.139 0.000 2.440 341 C HA 0.038 4.498 4.460 -0.000 0.000 0.278 341 C C 2.936 178.018 174.990 0.153 0.000 1.295 341 C CA 0.506 59.652 59.018 0.214 0.000 1.738 341 C CB -1.589 26.366 27.740 0.357 0.000 1.987 341 C HN 0.708 nan 8.230 nan 0.000 0.492 342 G N -0.028 108.844 108.800 0.121 0.000 2.443 342 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.219 342 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.219 342 G C 1.635 176.538 174.900 0.005 0.000 1.131 342 G CA 1.087 46.215 45.100 0.047 0.000 0.775 342 G HN 0.417 nan 8.290 nan 0.000 0.547 343 V N 1.888 121.831 119.914 0.048 0.000 2.407 343 V HA -0.054 4.066 4.120 -0.000 0.000 0.245 343 V C 2.283 178.391 176.094 0.024 0.000 1.041 343 V CA 2.190 64.514 62.300 0.039 0.000 1.040 343 V CB 0.027 31.881 31.823 0.052 0.000 0.671 343 V HN 0.637 nan 8.190 nan 0.000 0.455 344 D N -0.416 120.006 120.400 0.038 0.000 2.398 344 D HA 0.146 4.786 4.640 -0.000 0.000 0.210 344 D C 0.962 177.276 176.300 0.023 0.000 1.094 344 D CA 0.335 54.353 54.000 0.031 0.000 0.839 344 D CB -0.139 40.686 40.800 0.040 0.000 0.963 344 D HN 0.285 nan 8.370 nan 0.000 0.506 345 G N 0.514 109.325 108.800 0.019 0.000 2.415 345 G HA2 0.482 4.442 3.960 -0.000 0.000 0.269 345 G HA3 0.482 4.442 3.960 -0.000 0.000 0.269 345 G C -1.091 173.727 174.900 -0.136 0.000 1.209 345 G CA -0.433 44.649 45.100 -0.030 0.000 0.835 345 G HN 0.222 nan 8.290 nan 0.000 0.534 346 L N 1.869 122.982 121.223 -0.182 0.000 2.476 346 L HA 0.408 4.748 4.340 -0.000 0.000 0.269 346 L C -1.020 175.669 176.870 -0.302 0.000 0.965 346 L CA -0.899 53.819 54.840 -0.204 0.000 0.845 346 L CB 1.885 43.874 42.059 -0.116 0.000 1.259 346 L HN 0.402 nan 8.230 nan 0.000 0.403 347 N N 5.677 124.168 118.700 -0.348 0.000 2.444 347 N HA 0.450 5.190 4.740 -0.000 0.000 0.271 347 N C -0.740 174.628 175.510 -0.237 0.000 1.069 347 N CA -0.188 52.620 53.050 -0.403 0.000 0.965 347 N CB 1.638 39.856 38.487 -0.449 0.000 1.092 347 N HN 0.549 nan 8.380 nan 0.000 0.476 348 L N 2.674 123.773 121.223 -0.208 0.000 2.375 348 L HA 0.445 4.785 4.340 -0.000 0.000 0.268 348 L C -1.973 174.879 176.870 -0.030 0.000 1.058 348 L CA -2.099 52.680 54.840 -0.103 0.000 0.803 348 L CB 0.809 42.761 42.059 -0.178 0.000 1.212 348 L HN 0.191 nan 8.230 nan 0.000 0.451 349 P HA -0.008 nan 4.420 nan 0.000 0.260 349 P C -1.086 176.302 177.300 0.146 0.000 1.172 349 P CA 0.424 63.596 63.100 0.121 0.000 0.760 349 P CB 0.292 32.072 31.700 0.133 0.000 0.773 350 T N 2.818 117.433 114.554 0.102 0.000 3.187 350 T HA 0.495 4.845 4.350 -0.000 0.000 0.328 350 T C -0.830 173.957 174.700 0.145 0.000 0.951 350 T CA -0.686 61.465 62.100 0.086 0.000 1.049 350 T CB 0.301 69.177 68.868 0.013 0.000 1.015 350 T HN 0.683 nan 8.240 nan 0.000 0.461 351 H N -0.461 118.657 119.070 0.080 0.000 2.987 351 H HA 0.716 5.272 4.556 -0.000 0.000 0.316 351 H C 0.789 176.177 175.328 0.100 0.000 1.380 351 H CA -0.570 55.533 56.048 0.092 0.000 1.160 351 H CB 0.399 30.208 29.762 0.078 0.000 1.865 351 H HN 0.304 nan 8.280 nan 0.000 0.521 352 A N 0.882 123.861 122.820 0.265 0.000 2.070 352 A HA 0.067 4.387 4.320 -0.000 0.000 0.220 352 A C 2.004 179.684 177.584 0.160 0.000 1.159 352 A CA 1.545 53.695 52.037 0.189 0.000 0.656 352 A CB -1.160 17.982 19.000 0.237 0.000 0.800 352 A HN 0.959 nan 8.150 nan 0.000 0.453 353 G N -1.005 107.957 108.800 0.270 0.000 3.141 353 G HA2 0.404 4.364 3.960 -0.000 0.000 0.218 353 G HA3 0.404 4.364 3.960 -0.000 0.000 0.218 353 G C 0.333 175.252 174.900 0.031 0.000 1.170 353 G CA -0.401 44.807 45.100 0.180 0.000 0.769 353 G HN 0.373 nan 8.290 nan 0.000 0.546 354 L N 2.104 123.220 121.223 -0.178 0.000 2.380 354 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 354 L C 1.132 178.008 176.870 0.010 0.000 1.138 354 L CA -0.516 54.218 54.840 -0.177 0.000 0.832 354 L CB 1.193 43.075 42.059 -0.296 0.000 1.124 354 L HN 0.131 nan 8.230 nan 0.000 0.454 355 T N -2.271 112.230 114.554 -0.088 0.000 2.923 355 T HA 0.174 4.524 4.350 -0.000 0.000 0.281 355 T C 0.824 175.114 174.700 -0.683 0.000 0.995 355 T CA -0.709 61.269 62.100 -0.202 0.000 0.985 355 T CB 1.585 70.338 68.868 -0.192 0.000 1.114 355 T HN 0.709 nan 8.240 nan 0.000 0.548 356 E N 0.176 119.573 120.200 -1.338 0.000 2.110 356 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 356 E C 2.256 178.372 176.600 -0.807 0.000 0.988 356 E CA 1.186 56.569 56.400 -1.695 0.000 0.804 356 E CB -0.574 28.090 29.700 -1.727 0.000 0.745 356 E HN 0.767 nan 8.360 nan 0.000 0.458 357 A N 1.213 123.715 122.820 -0.530 0.000 1.933 357 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 357 A C 1.784 179.200 177.584 -0.281 0.000 1.175 357 A CA 1.810 53.648 52.037 -0.331 0.000 0.628 357 A CB -0.448 18.414 19.000 -0.230 0.000 0.814 357 A HN 0.282 nan 8.150 nan 0.000 0.444 358 D N 0.149 120.380 120.400 -0.281 0.000 2.117 358 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 358 D C 1.862 178.015 176.300 -0.246 0.000 0.987 358 D CA 1.063 54.939 54.000 -0.208 0.000 0.829 358 D CB -0.248 40.446 40.800 -0.177 0.000 0.961 358 D HN 0.366 nan 8.370 nan 0.000 0.460 359 I N 1.334 121.681 120.570 -0.372 0.000 2.315 359 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 359 I C 1.770 177.693 176.117 -0.324 0.000 1.117 359 I CA 1.002 62.036 61.300 -0.444 0.000 1.404 359 I CB -0.970 36.662 38.000 -0.613 0.000 1.071 359 I HN -0.071 nan 8.210 nan 0.000 0.419 360 D N 0.727 120.941 120.400 -0.311 0.000 2.117 360 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 360 D C 2.309 178.528 176.300 -0.136 0.000 0.987 360 D CA 0.990 54.863 54.000 -0.211 0.000 0.829 360 D CB -0.151 40.520 40.800 -0.214 0.000 0.961 360 D HN 0.276 nan 8.370 nan 0.000 0.460 361 R N 0.564 120.985 120.500 -0.132 0.000 2.081 361 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 361 R C 2.187 178.458 176.300 -0.048 0.000 1.131 361 R CA 0.922 56.973 56.100 -0.081 0.000 0.960 361 R CB -0.134 30.119 30.300 -0.079 0.000 0.856 361 R HN 0.017 nan 8.270 nan 0.000 0.436 362 V N 1.371 121.256 119.914 -0.049 0.000 2.343 362 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 362 V C 2.378 178.497 176.094 0.041 0.000 1.051 362 V CA 1.492 63.804 62.300 0.019 0.000 1.036 362 V CB -0.383 31.490 31.823 0.084 0.000 0.654 362 V HN 0.342 nan 8.190 nan 0.000 0.451 363 I N 0.532 121.111 120.570 0.015 0.000 2.252 363 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 363 I C 2.717 178.840 176.117 0.010 0.000 1.102 363 I CA 1.749 63.069 61.300 0.033 0.000 1.385 363 I CB -1.270 36.736 38.000 0.010 0.000 1.064 363 I HN 0.327 nan 8.210 nan 0.000 0.414 364 A N 1.146 123.957 122.820 -0.015 0.000 1.902 364 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 364 A C 2.610 180.192 177.584 -0.004 0.000 1.181 364 A CA 1.871 53.899 52.037 -0.015 0.000 0.623 364 A CB -0.709 18.274 19.000 -0.030 0.000 0.818 364 A HN 0.410 nan 8.150 nan 0.000 0.443 365 A N -0.251 122.569 122.820 -0.001 0.000 1.883 365 A HA -0.073 4.246 4.320 -0.000 0.000 0.217 365 A C 2.167 179.759 177.584 0.014 0.000 1.186 365 A CA 1.597 53.638 52.037 0.006 0.000 0.624 365 A CB -0.643 18.363 19.000 0.009 0.000 0.822 365 A HN 0.468 nan 8.150 nan 0.000 0.444 366 L N -0.518 120.720 121.223 0.025 0.000 2.093 366 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 366 L C 2.394 179.277 176.870 0.022 0.000 1.085 366 L CA 1.418 56.275 54.840 0.028 0.000 0.755 366 L CB -0.508 41.578 42.059 0.045 0.000 0.904 366 L HN 0.415 nan 8.230 nan 0.000 0.435 367 D N 0.001 120.413 120.400 0.019 0.000 2.133 367 D HA -0.288 4.352 4.640 -0.000 0.000 0.195 367 D C 2.159 178.465 176.300 0.011 0.000 0.997 367 D CA 1.677 55.686 54.000 0.015 0.000 0.840 367 D CB 0.087 40.892 40.800 0.008 0.000 0.947 367 D HN 0.390 nan 8.370 nan 0.000 0.452 368 Q N -0.123 119.682 119.800 0.008 0.000 2.049 368 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 368 Q C 2.263 178.268 176.000 0.008 0.000 0.971 368 Q CA 2.079 57.886 55.803 0.006 0.000 0.833 368 Q CB -0.034 28.706 28.738 0.003 0.000 0.896 368 Q HN 0.284 nan 8.270 nan 0.000 0.434 369 V N -1.097 118.823 119.914 0.010 0.000 2.871 369 V HA 0.108 4.228 4.120 -0.000 0.000 0.256 369 V C 1.037 177.138 176.094 0.012 0.000 1.082 369 V CA 0.534 62.840 62.300 0.011 0.000 1.105 369 V CB -0.451 31.379 31.823 0.011 0.000 0.713 369 V HN 0.186 nan 8.190 nan 0.000 0.473 370 L N 2.566 123.797 121.223 0.013 0.000 2.375 370 L HA 0.433 4.773 4.340 -0.000 0.000 0.276 370 L C -0.361 176.517 176.870 0.012 0.000 1.162 370 L CA -0.153 54.695 54.840 0.014 0.000 0.991 370 L CB 0.345 42.414 42.059 0.017 0.000 1.315 370 L HN 0.135 nan 8.230 nan 0.000 0.431 371 V N 0.000 119.921 119.914 0.011 0.000 2.409 371 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 371 V CA 0.000 62.306 62.300 0.010 0.000 1.235 371 V CB 0.000 31.828 31.823 0.009 0.000 1.184 371 V HN 0.000 nan 8.190 nan 0.000 0.556