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 1yyt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFPTEYFL NTTVRLLEYI RYRDSNYTRE ERIENLHYAY NKAAHHFAQP DATA SEQUENCE RQQQLLKVDP KRLQASLQTI VGMVVYSWAK VSKECMADLS IHYTYTLVLE DATA SEQUENCE DSKDDPYPTM VNYFDDLQAG REQAHPWWAL VNEHFPNVLR HFGPFCSLNL DATA SEQUENCE IRSTLDFFEG CWIEQYNFGG FPGSHDYPQF LRRMNGLGHC VGASLWPKEQ DATA SEQUENCE FNERSLFLEI TSAIAQMENW MVWVNDLMSF YKEFDDERDQ ISLVKNYVVS DATA SEQUENCE DEISLHEALE KLTQDTLHSS KQMVAVFSDK DPQVMDTIEC FMHGYVTWHL DATA SEQUENCE CDRRYRLSEI YEKVKEEKTE DAQKFCKFYE QAANVGAVSP SEWAYPPVAQ DATA SEQUENCE LANV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.418 176.300 0.197 0.000 1.140 1 M CA 0.000 55.430 55.300 0.217 0.000 0.988 1 M CB 0.000 32.825 32.600 0.375 0.000 1.302 2 E N 0.284 120.619 120.200 0.225 0.000 2.152 2 E HA 0.225 4.576 4.350 0.001 0.000 0.195 2 E C -0.107 176.701 176.600 0.346 0.000 0.934 2 E CA 0.250 56.771 56.400 0.202 0.000 0.869 2 E CB 0.495 30.269 29.700 0.124 0.000 0.842 2 E HN 0.454 nan 8.360 nan 0.000 0.472 3 N N 0.703 119.585 118.700 0.303 0.000 2.417 3 N HA 0.156 4.897 4.740 0.001 0.000 0.300 3 N C -0.979 174.628 175.510 0.161 0.000 1.102 3 N CA -0.415 52.791 53.050 0.259 0.000 0.886 3 N CB 1.362 39.936 38.487 0.145 0.000 1.203 3 N HN -0.081 nan 8.380 nan 0.000 0.496 4 F N 2.618 122.401 119.950 -0.278 0.000 2.572 4 F HA 0.137 4.664 4.527 0.001 0.000 0.370 4 F C -1.499 174.203 175.800 -0.163 0.000 1.103 4 F CA -1.402 56.230 58.000 -0.613 0.000 1.286 4 F CB 0.570 39.236 39.000 -0.558 0.000 1.105 4 F HN 0.372 nan 8.300 nan 0.000 0.583 5 P HA 0.047 nan 4.420 nan 0.000 0.249 5 P C 0.847 177.954 177.300 -0.322 0.000 1.686 5 P CA 0.381 63.291 63.100 -0.316 0.000 0.873 5 P CB -0.449 31.178 31.700 -0.122 0.000 1.828 6 T N -1.239 113.196 114.554 -0.199 0.000 2.624 6 T HA -0.303 4.047 4.350 0.001 0.000 0.266 6 T C 1.581 176.313 174.700 0.053 0.000 1.050 6 T CA 1.645 63.768 62.100 0.038 0.000 1.163 6 T CB -0.568 68.360 68.868 0.099 0.000 0.861 6 T HN 0.369 nan 8.240 nan 0.000 0.443 7 E N -0.304 119.923 120.200 0.045 0.000 2.033 7 E HA -0.226 4.125 4.350 0.001 0.000 0.199 7 E C 2.132 178.802 176.600 0.115 0.000 1.011 7 E CA 1.343 57.779 56.400 0.059 0.000 0.815 7 E CB -0.269 29.459 29.700 0.048 0.000 0.755 7 E HN 0.532 nan 8.360 nan 0.000 0.451 8 Y N 0.367 120.648 120.300 -0.032 0.000 2.165 8 Y HA -0.254 4.296 4.550 0.001 0.000 0.286 8 Y C 1.924 177.783 175.900 -0.069 0.000 1.155 8 Y CA 1.533 59.608 58.100 -0.042 0.000 1.164 8 Y CB -0.909 37.539 38.460 -0.019 0.000 0.978 8 Y HN 0.167 nan 8.280 nan 0.000 0.513 9 F N 0.013 119.853 119.950 -0.183 0.000 2.075 9 F HA -0.228 4.300 4.527 0.001 0.000 0.297 9 F C 2.211 177.917 175.800 -0.158 0.000 1.113 9 F CA 1.806 59.652 58.000 -0.257 0.000 1.218 9 F CB -0.729 38.141 39.000 -0.217 0.000 0.984 9 F HN -0.002 nan 8.300 nan 0.000 0.472 10 L N 0.342 121.517 121.223 -0.079 0.000 2.043 10 L HA -0.305 4.035 4.340 0.001 0.000 0.212 10 L C 2.526 179.341 176.870 -0.092 0.000 1.075 10 L CA 1.701 56.414 54.840 -0.212 0.000 0.752 10 L CB -1.018 40.944 42.059 -0.161 0.000 0.891 10 L HN 0.338 nan 8.230 nan 0.000 0.432 11 N N -0.189 118.498 118.700 -0.022 0.000 2.028 11 N HA -0.174 4.566 4.740 0.001 0.000 0.194 11 N C 1.720 177.233 175.510 0.004 0.000 1.050 11 N CA 2.309 55.384 53.050 0.041 0.000 0.848 11 N CB -0.234 38.309 38.487 0.093 0.000 1.038 11 N HN 0.201 nan 8.380 nan 0.000 0.423 12 T N 0.583 115.100 114.554 -0.061 0.000 2.649 12 T HA -0.161 4.190 4.350 0.001 0.000 0.268 12 T C 1.816 176.412 174.700 -0.174 0.000 1.036 12 T CA 2.339 64.361 62.100 -0.131 0.000 1.157 12 T CB -0.917 67.762 68.868 -0.316 0.000 0.861 12 T HN 0.429 nan 8.240 nan 0.000 0.445 13 T N 1.725 116.091 114.554 -0.313 0.000 2.684 13 T HA -0.104 4.247 4.350 0.001 0.000 0.267 13 T C 2.179 176.848 174.700 -0.052 0.000 1.036 13 T CA 1.272 63.215 62.100 -0.260 0.000 1.148 13 T CB -0.621 68.061 68.868 -0.311 0.000 0.863 13 T HN 0.214 nan 8.240 nan 0.000 0.436 14 V N 1.744 121.707 119.914 0.082 0.000 2.307 14 V HA -0.139 3.982 4.120 0.001 0.000 0.245 14 V C 2.702 178.901 176.094 0.174 0.000 1.045 14 V CA 1.406 63.835 62.300 0.216 0.000 1.024 14 V CB -0.553 31.455 31.823 0.309 0.000 0.651 14 V HN 0.387 nan 8.190 nan 0.000 0.449 15 R N -0.198 120.397 120.500 0.158 0.000 2.117 15 R HA -0.191 4.150 4.340 0.001 0.000 0.243 15 R C 2.225 178.732 176.300 0.344 0.000 1.143 15 R CA 1.609 57.862 56.100 0.255 0.000 0.968 15 R CB -0.920 29.530 30.300 0.250 0.000 0.863 15 R HN 0.410 nan 8.270 nan 0.000 0.444 16 L N 1.230 122.549 121.223 0.160 0.000 2.005 16 L HA -0.089 4.252 4.340 0.001 0.000 0.207 16 L C 2.197 179.147 176.870 0.134 0.000 1.072 16 L CA 1.553 56.478 54.840 0.142 0.000 0.744 16 L CB -0.634 41.421 42.059 -0.006 0.000 0.895 16 L HN 0.082 nan 8.230 nan 0.000 0.433 17 L N -0.644 120.528 121.223 -0.086 0.000 2.131 17 L HA -0.197 4.144 4.340 0.001 0.000 0.210 17 L C 2.516 179.347 176.870 -0.064 0.000 1.092 17 L CA 1.286 55.923 54.840 -0.338 0.000 0.759 17 L CB -0.494 40.856 42.059 -1.182 0.000 0.903 17 L HN 0.433 nan 8.230 nan 0.000 0.435 18 E N -0.788 119.487 120.200 0.126 0.000 2.016 18 E HA -0.203 4.147 4.350 0.001 0.000 0.190 18 E C 2.136 178.854 176.600 0.197 0.000 0.985 18 E CA 1.090 57.622 56.400 0.221 0.000 0.802 18 E CB -0.241 29.570 29.700 0.185 0.000 0.762 18 E HN 0.396 nan 8.360 nan 0.000 0.448 19 Y N 1.427 121.813 120.300 0.143 0.000 2.139 19 Y HA -0.217 4.333 4.550 0.001 0.000 0.282 19 Y C 2.391 178.390 175.900 0.165 0.000 1.179 19 Y CA 1.624 59.814 58.100 0.149 0.000 1.161 19 Y CB -0.324 38.231 38.460 0.159 0.000 0.970 19 Y HN 0.180 nan 8.280 nan 0.000 0.511 20 I N -2.123 118.665 120.570 0.363 0.000 3.428 20 I HA 0.112 4.282 4.170 0.001 0.000 0.286 20 I C 0.317 176.674 176.117 0.400 0.000 1.287 20 I CA 0.378 61.866 61.300 0.312 0.000 1.396 20 I CB -0.149 38.052 38.000 0.335 0.000 1.062 20 I HN 0.083 nan 8.210 nan 0.000 0.471 21 R N -0.119 120.576 120.500 0.324 0.000 3.407 21 R HA -0.237 4.104 4.340 0.001 0.000 0.277 21 R C -0.599 175.804 176.300 0.172 0.000 1.119 21 R CA 0.263 56.529 56.100 0.277 0.000 0.750 21 R CB -2.908 27.547 30.300 0.258 0.000 1.258 21 R HN 0.539 nan 8.270 nan 0.000 0.432 22 Y N 2.987 123.211 120.300 -0.127 0.000 2.770 22 Y HA -0.032 4.519 4.550 0.001 0.000 0.342 22 Y C 0.924 176.697 175.900 -0.211 0.000 1.221 22 Y CA 0.644 58.404 58.100 -0.566 0.000 1.560 22 Y CB 0.194 38.380 38.460 -0.458 0.000 1.213 22 Y HN 0.208 nan 8.280 nan 0.000 0.525 23 R N 3.382 123.466 120.500 -0.692 0.000 2.764 23 R HA 0.454 4.794 4.340 0.001 0.000 0.270 23 R C -1.354 174.714 176.300 -0.387 0.000 1.014 23 R CA -1.153 54.744 56.100 -0.338 0.000 0.904 23 R CB 1.074 31.309 30.300 -0.108 0.000 1.236 23 R HN 0.339 nan 8.270 nan 0.000 0.466 24 D N 1.393 121.661 120.400 -0.219 0.000 2.419 24 D HA 0.102 4.742 4.640 0.001 0.000 0.236 24 D C 0.056 176.301 176.300 -0.091 0.000 1.165 24 D CA 0.470 54.377 54.000 -0.156 0.000 0.882 24 D CB 1.008 41.758 40.800 -0.083 0.000 1.201 24 D HN 0.621 nan 8.370 nan 0.000 0.443 25 S N 0.456 116.125 115.700 -0.053 0.000 2.745 25 S HA 0.349 4.819 4.470 0.001 0.000 0.306 25 S C 0.492 175.107 174.600 0.025 0.000 1.137 25 S CA -0.903 57.299 58.200 0.003 0.000 0.900 25 S CB 1.286 64.508 63.200 0.037 0.000 1.176 25 S HN 0.276 nan 8.310 nan 0.000 0.520 26 N N -0.295 118.432 118.700 0.046 0.000 2.398 26 N HA 0.064 4.804 4.740 0.001 0.000 0.188 26 N C -0.807 174.768 175.510 0.109 0.000 1.122 26 N CA 0.226 53.308 53.050 0.052 0.000 0.866 26 N CB -0.350 38.160 38.487 0.039 0.000 0.970 26 N HN 0.636 nan 8.380 nan 0.000 0.462 27 Y N 3.276 123.545 120.300 -0.051 0.000 2.640 27 Y HA 0.040 4.590 4.550 0.001 0.000 0.355 27 Y C 0.711 176.560 175.900 -0.084 0.000 1.088 27 Y CA -1.107 56.952 58.100 -0.068 0.000 1.443 27 Y CB -0.708 37.700 38.460 -0.086 0.000 1.224 27 Y HN -0.075 nan 8.280 nan 0.000 0.516 28 T N 1.839 116.347 114.554 -0.077 0.000 2.904 28 T HA 0.230 4.581 4.350 0.001 0.000 0.290 28 T C 1.408 175.950 174.700 -0.264 0.000 1.018 28 T CA -0.698 61.319 62.100 -0.139 0.000 1.075 28 T CB 1.315 70.142 68.868 -0.068 0.000 0.986 28 T HN 0.764 nan 8.240 nan 0.000 0.523 29 R N 0.501 120.886 120.500 -0.191 0.000 2.103 29 R HA -0.158 4.183 4.340 0.001 0.000 0.242 29 R C 2.028 178.235 176.300 -0.155 0.000 1.142 29 R CA 1.924 57.913 56.100 -0.185 0.000 0.960 29 R CB -0.326 29.919 30.300 -0.092 0.000 0.858 29 R HN 0.790 nan 8.270 nan 0.000 0.439 30 E N 0.360 120.498 120.200 -0.103 0.000 2.085 30 E HA -0.191 4.160 4.350 0.001 0.000 0.194 30 E C 1.785 178.334 176.600 -0.084 0.000 0.994 30 E CA 1.675 58.039 56.400 -0.061 0.000 0.801 30 E CB -0.050 29.630 29.700 -0.033 0.000 0.743 30 E HN 0.486 nan 8.360 nan 0.000 0.453 31 E N 0.157 120.271 120.200 -0.143 0.000 2.106 31 E HA -0.113 4.238 4.350 0.001 0.000 0.192 31 E C 2.179 178.617 176.600 -0.269 0.000 0.984 31 E CA 0.624 56.933 56.400 -0.152 0.000 0.806 31 E CB -0.050 29.573 29.700 -0.128 0.000 0.750 31 E HN 0.147 nan 8.360 nan 0.000 0.458 32 R N 0.582 120.788 120.500 -0.491 0.000 2.070 32 R HA -0.097 4.243 4.340 0.001 0.000 0.232 32 R C 2.477 178.658 176.300 -0.198 0.000 1.138 32 R CA 1.265 57.062 56.100 -0.505 0.000 0.936 32 R CB -0.398 29.538 30.300 -0.607 0.000 0.839 32 R HN 0.174 nan 8.270 nan 0.000 0.429 33 I N 0.732 121.229 120.570 -0.122 0.000 2.335 33 I HA -0.293 3.877 4.170 0.001 0.000 0.251 33 I C 2.560 178.731 176.117 0.090 0.000 1.129 33 I CA 1.322 62.625 61.300 0.004 0.000 1.402 33 I CB -0.337 37.704 38.000 0.068 0.000 1.069 33 I HN 0.345 nan 8.210 nan 0.000 0.424 34 E N 1.177 121.409 120.200 0.054 0.000 2.051 34 E HA -0.232 4.118 4.350 0.001 0.000 0.192 34 E C 1.957 178.657 176.600 0.167 0.000 0.991 34 E CA 1.383 57.852 56.400 0.113 0.000 0.799 34 E CB 0.111 29.845 29.700 0.058 0.000 0.748 34 E HN 0.437 nan 8.360 nan 0.000 0.449 35 N N 0.623 119.388 118.700 0.108 0.000 2.106 35 N HA -0.129 4.612 4.740 0.001 0.000 0.188 35 N C 2.104 177.714 175.510 0.165 0.000 1.029 35 N CA 0.804 53.947 53.050 0.155 0.000 0.848 35 N CB -0.453 38.129 38.487 0.157 0.000 1.007 35 N HN 0.179 nan 8.380 nan 0.000 0.423 36 L N 0.365 121.609 121.223 0.035 0.000 2.010 36 L HA -0.291 4.050 4.340 0.001 0.000 0.219 36 L C 2.451 179.474 176.870 0.254 0.000 1.077 36 L CA 1.813 56.574 54.840 -0.132 0.000 0.773 36 L CB -0.625 41.027 42.059 -0.678 0.000 0.892 36 L HN 0.313 nan 8.230 nan 0.000 0.436 37 H N -1.598 117.640 119.070 0.281 0.000 2.353 37 H HA -0.248 4.308 4.556 0.001 0.000 0.300 37 H C 2.045 177.530 175.328 0.262 0.000 1.090 37 H CA 1.890 58.123 56.048 0.308 0.000 1.327 37 H CB -0.198 29.688 29.762 0.207 0.000 1.383 37 H HN 0.337 nan 8.280 nan 0.000 0.508 38 Y N 0.500 120.840 120.300 0.067 0.000 2.114 38 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 38 Y C 2.629 178.517 175.900 -0.020 0.000 1.143 38 Y CA 2.006 60.098 58.100 -0.013 0.000 1.135 38 Y CB -0.997 37.492 38.460 0.048 0.000 0.980 38 Y HN 0.324 nan 8.280 nan 0.000 0.499 39 A N -0.275 122.622 122.820 0.128 0.000 1.841 39 A HA -0.298 4.023 4.320 0.001 0.000 0.216 39 A C 2.200 179.775 177.584 -0.015 0.000 1.199 39 A CA 1.888 53.946 52.037 0.036 0.000 0.621 39 A CB -1.891 17.172 19.000 0.104 0.000 0.835 39 A HN 0.717 nan 8.150 nan 0.000 0.445 40 Y N 1.291 121.617 120.300 0.044 0.000 2.102 40 Y HA -0.374 4.176 4.550 0.001 0.000 0.280 40 Y C 2.335 178.191 175.900 -0.072 0.000 1.178 40 Y CA 2.660 60.810 58.100 0.082 0.000 1.146 40 Y CB -0.508 38.122 38.460 0.284 0.000 0.968 40 Y HN 0.498 nan 8.280 nan 0.000 0.504 41 N N 0.351 119.005 118.700 -0.077 0.000 2.069 41 N HA -0.257 4.484 4.740 0.001 0.000 0.191 41 N C 1.946 177.345 175.510 -0.186 0.000 1.031 41 N CA 2.064 55.013 53.050 -0.169 0.000 0.852 41 N CB -0.420 37.815 38.487 -0.421 0.000 1.018 41 N HN 0.460 nan 8.380 nan 0.000 0.423 42 K N -0.504 119.698 120.400 -0.331 0.000 2.097 42 K HA -0.026 4.294 4.320 0.001 0.000 0.205 42 K C 1.853 178.327 176.600 -0.210 0.000 1.050 42 K CA 1.085 57.192 56.287 -0.300 0.000 0.938 42 K CB -0.231 32.036 32.500 -0.388 0.000 0.718 42 K HN 0.266 nan 8.250 nan 0.000 0.442 43 A N 1.311 123.981 122.820 -0.250 0.000 1.841 43 A HA -0.095 4.225 4.320 0.001 0.000 0.214 43 A C 2.376 179.835 177.584 -0.209 0.000 1.195 43 A CA 1.893 53.773 52.037 -0.262 0.000 0.611 43 A CB -1.083 17.827 19.000 -0.151 0.000 0.835 43 A HN 0.447 nan 8.150 nan 0.000 0.443 44 A N -0.759 121.861 122.820 -0.334 0.000 1.903 44 A HA -0.295 4.026 4.320 0.001 0.000 0.219 44 A C 1.980 179.472 177.584 -0.154 0.000 1.191 44 A CA 2.424 54.280 52.037 -0.303 0.000 0.638 44 A CB -1.082 17.578 19.000 -0.567 0.000 0.823 44 A HN 0.705 nan 8.150 nan 0.000 0.451 45 H N -2.363 116.601 119.070 -0.177 0.000 2.387 45 H HA -0.106 4.451 4.556 0.001 0.000 0.299 45 H C 2.002 177.251 175.328 -0.132 0.000 1.090 45 H CA 1.866 57.843 56.048 -0.119 0.000 1.332 45 H CB -0.276 29.421 29.762 -0.109 0.000 1.386 45 H HN 0.836 nan 8.280 nan 0.000 0.516 46 H N -0.489 118.464 119.070 -0.195 0.000 2.270 46 H HA -0.127 4.430 4.556 0.001 0.000 0.299 46 H C 1.411 176.507 175.328 -0.386 0.000 1.077 46 H CA 1.818 57.652 56.048 -0.358 0.000 1.294 46 H CB -0.438 28.936 29.762 -0.646 0.000 1.371 46 H HN 0.223 nan 8.280 nan 0.000 0.491 47 F N 0.223 120.055 119.950 -0.197 0.000 2.451 47 F HA 0.085 4.612 4.527 0.001 0.000 0.299 47 F C 2.536 178.216 175.800 -0.199 0.000 1.101 47 F CA 0.826 58.679 58.000 -0.246 0.000 1.436 47 F CB -0.645 38.241 39.000 -0.191 0.000 1.074 47 F HN 0.343 nan 8.300 nan 0.000 0.553 48 A N -0.683 122.104 122.820 -0.056 0.000 2.206 48 A HA -0.013 4.308 4.320 0.001 0.000 0.211 48 A C 1.099 178.632 177.584 -0.084 0.000 1.158 48 A CA -0.065 51.929 52.037 -0.072 0.000 0.761 48 A CB -0.630 18.292 19.000 -0.131 0.000 0.801 48 A HN 0.329 nan 8.150 nan 0.000 0.473 49 Q N -0.038 119.687 119.800 -0.125 0.000 2.392 49 Q HA 0.126 4.466 4.340 0.001 0.000 0.262 49 Q C -1.722 174.236 176.000 -0.071 0.000 1.003 49 Q CA -1.713 54.027 55.803 -0.106 0.000 0.888 49 Q CB 0.245 28.890 28.738 -0.156 0.000 1.260 49 Q HN 0.122 nan 8.270 nan 0.000 0.435 50 P HA -0.280 nan 4.420 nan 0.000 0.214 50 P C 1.079 178.368 177.300 -0.019 0.000 1.169 50 P CA 1.467 64.552 63.100 -0.025 0.000 0.908 50 P CB 0.093 31.783 31.700 -0.018 0.000 0.791 51 R N -0.220 120.266 120.500 -0.023 0.000 2.094 51 R HA -0.220 4.121 4.340 0.001 0.000 0.239 51 R C 2.307 178.607 176.300 -0.001 0.000 1.137 51 R CA 1.818 57.912 56.100 -0.009 0.000 0.943 51 R CB -0.670 29.623 30.300 -0.011 0.000 0.850 51 R HN 0.137 nan 8.270 nan 0.000 0.433 52 Q N 0.217 119.996 119.800 -0.035 0.000 2.096 52 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 52 Q C 2.094 178.123 176.000 0.049 0.000 0.982 52 Q CA 1.277 57.083 55.803 0.005 0.000 0.850 52 Q CB -0.329 28.337 28.738 -0.119 0.000 0.901 52 Q HN 0.483 nan 8.270 nan 0.000 0.422 53 Q N 0.652 120.461 119.800 0.014 0.000 2.181 53 Q HA -0.147 4.194 4.340 0.001 0.000 0.205 53 Q C 1.923 177.939 176.000 0.027 0.000 0.980 53 Q CA 1.309 57.124 55.803 0.019 0.000 0.862 53 Q CB 0.012 28.750 28.738 -0.001 0.000 0.905 53 Q HN 0.513 nan 8.270 nan 0.000 0.429 54 Q N -0.280 119.536 119.800 0.026 0.000 2.013 54 Q HA 0.057 4.397 4.340 0.001 0.000 0.195 54 Q C 2.195 178.224 176.000 0.048 0.000 0.974 54 Q CA 0.615 56.436 55.803 0.030 0.000 0.826 54 Q CB 0.066 28.817 28.738 0.022 0.000 0.895 54 Q HN 0.257 nan 8.270 nan 0.000 0.448 55 L N 0.384 121.644 121.223 0.061 0.000 2.275 55 L HA -0.068 4.272 4.340 0.001 0.000 0.215 55 L C 0.595 177.538 176.870 0.122 0.000 1.119 55 L CA 0.080 54.971 54.840 0.085 0.000 0.790 55 L CB -0.103 42.008 42.059 0.086 0.000 0.919 55 L HN 0.193 nan 8.230 nan 0.000 0.443 56 L N 1.669 122.970 121.223 0.131 0.000 2.352 56 L HA 0.177 4.517 4.340 0.001 0.000 0.272 56 L C 0.160 177.097 176.870 0.112 0.000 1.109 56 L CA -0.099 54.842 54.840 0.169 0.000 0.952 56 L CB -0.125 42.062 42.059 0.213 0.000 1.314 56 L HN -0.130 nan 8.230 nan 0.000 0.427 57 K N 3.637 124.098 120.400 0.102 0.000 2.245 57 K HA 0.296 4.617 4.320 0.001 0.000 0.281 57 K C -0.920 175.706 176.600 0.044 0.000 1.079 57 K CA 0.107 56.429 56.287 0.058 0.000 1.000 57 K CB 0.274 32.800 32.500 0.043 0.000 1.038 57 K HN 0.305 nan 8.250 nan 0.000 0.430 58 V N 1.484 121.411 119.914 0.023 0.000 3.048 58 V HA 0.034 4.155 4.120 0.001 0.000 0.303 58 V C -0.607 175.477 176.094 -0.016 0.000 1.214 58 V CA -1.360 60.940 62.300 -0.000 0.000 0.984 58 V CB 2.592 34.407 31.823 -0.013 0.000 1.054 58 V HN 0.594 nan 8.190 nan 0.000 0.430 59 D N 4.614 125.001 120.400 -0.022 0.000 2.417 59 D HA 0.243 4.884 4.640 0.001 0.000 0.250 59 D C -1.546 174.734 176.300 -0.033 0.000 1.166 59 D CA -1.027 52.958 54.000 -0.025 0.000 0.881 59 D CB 1.843 42.628 40.800 -0.025 0.000 1.164 59 D HN 0.186 nan 8.370 nan 0.000 0.467 60 P HA -0.255 nan 4.420 nan 0.000 0.216 60 P C 0.944 178.223 177.300 -0.034 0.000 1.167 60 P CA 1.915 64.996 63.100 -0.032 0.000 0.914 60 P CB 0.130 31.817 31.700 -0.022 0.000 0.793 61 K N -0.814 119.569 120.400 -0.028 0.000 2.063 61 K HA -0.152 4.169 4.320 0.001 0.000 0.208 61 K C 2.188 178.769 176.600 -0.032 0.000 1.048 61 K CA 1.236 57.507 56.287 -0.026 0.000 0.928 61 K CB -0.332 32.154 32.500 -0.024 0.000 0.713 61 K HN 0.124 nan 8.250 nan 0.000 0.442 62 R N 0.793 121.271 120.500 -0.037 0.000 2.073 62 R HA -0.113 4.227 4.340 0.001 0.000 0.234 62 R C 2.407 178.671 176.300 -0.059 0.000 1.134 62 R CA 0.841 56.916 56.100 -0.041 0.000 0.952 62 R CB -0.914 29.362 30.300 -0.039 0.000 0.850 62 R HN 0.158 nan 8.270 nan 0.000 0.433 63 L N 1.752 122.926 121.223 -0.082 0.000 2.012 63 L HA -0.221 4.120 4.340 0.001 0.000 0.210 63 L C 2.541 179.340 176.870 -0.118 0.000 1.073 63 L CA 1.882 56.634 54.840 -0.146 0.000 0.748 63 L CB -0.714 41.240 42.059 -0.175 0.000 0.891 63 L HN 0.083 nan 8.230 nan 0.000 0.431 64 Q N -0.359 119.406 119.800 -0.058 0.000 2.030 64 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 64 Q C 2.197 178.206 176.000 0.014 0.000 0.986 64 Q CA 2.495 58.295 55.803 -0.004 0.000 0.843 64 Q CB -0.636 28.105 28.738 0.005 0.000 0.904 64 Q HN 0.602 nan 8.270 nan 0.000 0.420 65 A N -0.678 122.140 122.820 -0.004 0.000 1.908 65 A HA -0.206 4.114 4.320 0.001 0.000 0.218 65 A C 2.342 179.944 177.584 0.031 0.000 1.181 65 A CA 2.050 54.094 52.037 0.012 0.000 0.627 65 A CB -0.881 18.114 19.000 -0.008 0.000 0.818 65 A HN 0.436 nan 8.150 nan 0.000 0.445 66 S N -0.626 115.072 115.700 -0.003 0.000 2.355 66 S HA -0.116 4.355 4.470 0.001 0.000 0.222 66 S C 1.879 176.487 174.600 0.015 0.000 1.031 66 S CA 1.294 59.495 58.200 0.002 0.000 0.993 66 S CB -0.500 62.671 63.200 -0.048 0.000 0.859 66 S HN 0.499 nan 8.310 nan 0.000 0.453 67 L N 2.035 123.235 121.223 -0.037 0.000 1.990 67 L HA -0.215 4.126 4.340 0.001 0.000 0.213 67 L C 2.238 179.209 176.870 0.168 0.000 1.072 67 L CA 1.897 56.737 54.840 -0.001 0.000 0.755 67 L CB -0.871 41.163 42.059 -0.042 0.000 0.889 67 L HN 0.303 nan 8.230 nan 0.000 0.432 68 Q N -1.542 118.401 119.800 0.237 0.000 2.124 68 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 68 Q C 1.998 178.215 176.000 0.362 0.000 0.977 68 Q CA 2.154 58.194 55.803 0.395 0.000 0.850 68 Q CB -0.227 28.649 28.738 0.230 0.000 0.901 68 Q HN 0.579 nan 8.270 nan 0.000 0.429 69 T N 0.670 115.372 114.554 0.247 0.000 2.777 69 T HA -0.103 4.247 4.350 0.001 0.000 0.266 69 T C 1.675 176.481 174.700 0.177 0.000 1.040 69 T CA 0.788 63.073 62.100 0.308 0.000 1.141 69 T CB -0.070 68.972 68.868 0.291 0.000 0.868 69 T HN 0.072 nan 8.240 nan 0.000 0.444 70 I N 0.877 121.495 120.570 0.080 0.000 2.252 70 I HA -0.078 4.093 4.170 0.001 0.000 0.245 70 I C 2.422 178.456 176.117 -0.137 0.000 1.102 70 I CA 0.625 61.892 61.300 -0.056 0.000 1.385 70 I CB -0.728 37.277 38.000 0.007 0.000 1.064 70 I HN 0.050 nan 8.210 nan 0.000 0.414 71 V N 0.654 120.565 119.914 -0.005 0.000 2.287 71 V HA -0.269 3.851 4.120 0.001 0.000 0.248 71 V C 2.569 178.544 176.094 -0.199 0.000 1.053 71 V CA 2.168 64.459 62.300 -0.015 0.000 1.027 71 V CB -1.621 30.328 31.823 0.211 0.000 0.646 71 V HN 0.551 nan 8.190 nan 0.000 0.447 72 G N -0.910 107.725 108.800 -0.274 0.000 2.459 72 G HA2 -0.383 3.577 3.960 0.001 0.000 0.217 72 G HA3 -0.383 3.577 3.960 0.001 0.000 0.217 72 G C 1.650 176.042 174.900 -0.846 0.000 1.183 72 G CA 1.352 46.106 45.100 -0.578 0.000 0.776 72 G HN 0.448 nan 8.290 nan 0.000 0.552 73 M N 0.252 119.056 119.600 -1.326 0.000 2.082 73 M HA -0.135 4.346 4.480 0.001 0.000 0.258 73 M C 2.554 178.612 176.300 -0.403 0.000 1.069 73 M CA 1.787 56.135 55.300 -1.587 0.000 1.102 73 M CB -0.257 31.141 32.600 -2.004 0.000 1.336 73 M HN 0.125 nan 8.290 nan 0.000 0.404 74 V N 0.046 119.809 119.914 -0.251 0.000 2.237 74 V HA -0.264 3.856 4.120 0.001 0.000 0.245 74 V C 2.413 178.645 176.094 0.230 0.000 1.046 74 V CA 1.920 64.219 62.300 -0.002 0.000 1.007 74 V CB -0.780 30.883 31.823 -0.266 0.000 0.638 74 V HN 0.455 nan 8.190 nan 0.000 0.445 75 V N -1.191 118.795 119.914 0.121 0.000 2.469 75 V HA -0.269 3.852 4.120 0.001 0.000 0.251 75 V C 2.178 178.563 176.094 0.486 0.000 1.064 75 V CA 1.930 64.390 62.300 0.267 0.000 1.066 75 V CB -0.818 31.114 31.823 0.182 0.000 0.667 75 V HN 0.563 nan 8.190 nan 0.000 0.461 76 Y N -0.302 120.073 120.300 0.124 0.000 2.517 76 Y HA 0.077 4.628 4.550 0.001 0.000 0.281 76 Y C 2.526 178.523 175.900 0.161 0.000 1.125 76 Y CA 0.570 58.792 58.100 0.203 0.000 1.283 76 Y CB -0.068 38.468 38.460 0.128 0.000 1.042 76 Y HN 0.229 nan 8.280 nan 0.000 0.547 77 S N -2.728 113.163 115.700 0.319 0.000 2.527 77 S HA 0.017 4.488 4.470 0.001 0.000 0.227 77 S C 0.788 175.466 174.600 0.130 0.000 1.059 77 S CA -0.261 58.016 58.200 0.128 0.000 0.919 77 S CB 0.076 63.246 63.200 -0.051 0.000 0.805 77 S HN 0.415 nan 8.310 nan 0.000 0.500 78 W N 2.680 124.035 121.300 0.091 0.000 3.040 78 W HA 0.444 5.105 4.660 0.001 0.000 0.444 78 W C 1.500 177.990 176.519 -0.048 0.000 0.793 78 W CA -0.462 56.901 57.345 0.030 0.000 2.104 78 W CB -0.460 29.026 29.460 0.044 0.000 1.060 78 W HN 0.348 nan 8.180 nan 0.000 0.842 79 A N 0.772 123.589 122.820 -0.004 0.000 2.104 79 A HA -0.248 4.072 4.320 0.001 0.000 0.223 79 A C 1.851 179.283 177.584 -0.254 0.000 1.164 79 A CA 1.546 53.384 52.037 -0.332 0.000 0.659 79 A CB -0.131 18.512 19.000 -0.595 0.000 0.808 79 A HN 0.377 nan 8.150 nan 0.000 0.465 80 K N -0.486 119.862 120.400 -0.085 0.000 2.373 80 K HA 0.248 4.568 4.320 0.001 0.000 0.202 80 K C 0.103 176.735 176.600 0.053 0.000 1.025 80 K CA 0.273 56.541 56.287 -0.031 0.000 1.115 80 K CB 0.461 32.957 32.500 -0.008 0.000 0.858 80 K HN 0.436 nan 8.250 nan 0.000 0.525 81 V N -0.400 119.578 119.914 0.107 0.000 2.863 81 V HA 0.317 4.438 4.120 0.001 0.000 0.307 81 V C 0.666 176.817 176.094 0.095 0.000 1.061 81 V CA -1.130 61.251 62.300 0.135 0.000 1.024 81 V CB 1.493 33.443 31.823 0.211 0.000 1.049 81 V HN 0.254 nan 8.190 nan 0.000 0.471 82 S N 2.446 118.192 115.700 0.076 0.000 2.572 82 S HA 0.111 4.582 4.470 0.001 0.000 0.262 82 S C 0.879 175.516 174.600 0.061 0.000 1.375 82 S CA 0.404 58.627 58.200 0.039 0.000 0.996 82 S CB 0.090 63.295 63.200 0.008 0.000 0.892 82 S HN 0.839 nan 8.310 nan 0.000 0.562 83 K N 0.567 120.956 120.400 -0.018 0.000 2.026 83 K HA -0.107 4.214 4.320 0.001 0.000 0.208 83 K C 2.294 179.026 176.600 0.220 0.000 1.048 83 K CA 1.487 57.758 56.287 -0.025 0.000 0.929 83 K CB -0.248 31.919 32.500 -0.555 0.000 0.713 83 K HN 0.601 nan 8.250 nan 0.000 0.439 84 E N 0.614 120.946 120.200 0.221 0.000 2.085 84 E HA -0.240 4.111 4.350 0.001 0.000 0.194 84 E C 2.168 178.971 176.600 0.338 0.000 0.994 84 E CA 0.917 57.521 56.400 0.339 0.000 0.801 84 E CB -0.552 29.280 29.700 0.219 0.000 0.743 84 E HN 0.311 nan 8.360 nan 0.000 0.453 85 C N 0.738 120.257 119.300 0.365 0.000 2.432 85 C HA -0.135 4.326 4.460 0.001 0.000 0.277 85 C C 2.819 177.803 174.990 -0.010 0.000 1.249 85 C CA 0.917 60.033 59.018 0.163 0.000 1.725 85 C CB -0.977 26.916 27.740 0.256 0.000 2.028 85 C HN 0.417 nan 8.230 nan 0.000 0.477 86 M N 1.091 120.731 119.600 0.066 0.000 2.080 86 M HA -0.125 4.356 4.480 0.001 0.000 0.260 86 M C 2.510 178.805 176.300 -0.008 0.000 1.068 86 M CA 2.178 57.489 55.300 0.019 0.000 1.109 86 M CB -0.878 31.789 32.600 0.111 0.000 1.342 86 M HN 0.527 nan 8.290 nan 0.000 0.405 87 A N 1.151 124.009 122.820 0.063 0.000 1.834 87 A HA -0.211 4.109 4.320 0.001 0.000 0.216 87 A C 1.805 179.348 177.584 -0.067 0.000 1.203 87 A CA 2.201 54.237 52.037 -0.002 0.000 0.621 87 A CB -1.011 17.986 19.000 -0.004 0.000 0.841 87 A HN 0.433 nan 8.150 nan 0.000 0.446 88 D N 0.121 120.482 120.400 -0.065 0.000 2.133 88 D HA -0.175 4.465 4.640 0.001 0.000 0.192 88 D C 1.945 178.185 176.300 -0.100 0.000 1.001 88 D CA 1.412 55.359 54.000 -0.088 0.000 0.844 88 D CB -0.504 40.185 40.800 -0.184 0.000 0.944 88 D HN 0.464 nan 8.370 nan 0.000 0.447 89 L N 0.641 121.765 121.223 -0.165 0.000 2.083 89 L HA -0.144 4.197 4.340 0.001 0.000 0.209 89 L C 2.544 179.372 176.870 -0.070 0.000 1.083 89 L CA 0.807 55.542 54.840 -0.175 0.000 0.752 89 L CB -0.335 41.557 42.059 -0.278 0.000 0.899 89 L HN -0.064 nan 8.230 nan 0.000 0.433 90 S N -0.050 115.604 115.700 -0.077 0.000 2.399 90 S HA -0.112 4.358 4.470 0.001 0.000 0.231 90 S C 1.924 176.497 174.600 -0.044 0.000 1.022 90 S CA 1.122 59.300 58.200 -0.036 0.000 0.983 90 S CB -0.184 62.991 63.200 -0.041 0.000 0.803 90 S HN 0.296 nan 8.310 nan 0.000 0.480 91 I N 0.200 120.682 120.570 -0.146 0.000 2.233 91 I HA -0.160 4.011 4.170 0.001 0.000 0.243 91 I C 2.419 178.370 176.117 -0.278 0.000 1.093 91 I CA 1.400 62.503 61.300 -0.328 0.000 1.380 91 I CB -0.380 37.152 38.000 -0.781 0.000 1.067 91 I HN 0.294 nan 8.210 nan 0.000 0.413 92 H N 0.420 119.301 119.070 -0.314 0.000 2.321 92 H HA -0.223 4.334 4.556 0.001 0.000 0.300 92 H C 1.916 177.062 175.328 -0.303 0.000 1.087 92 H CA 2.078 57.932 56.048 -0.323 0.000 1.319 92 H CB -0.197 29.266 29.762 -0.499 0.000 1.379 92 H HN 0.248 nan 8.280 nan 0.000 0.501 93 Y N -0.543 119.691 120.300 -0.110 0.000 2.439 93 Y HA -0.091 4.459 4.550 0.001 0.000 0.292 93 Y C 2.660 178.479 175.900 -0.134 0.000 1.130 93 Y CA 1.373 59.376 58.100 -0.162 0.000 1.254 93 Y CB -0.384 37.987 38.460 -0.148 0.000 1.000 93 Y HN 0.246 nan 8.280 nan 0.000 0.554 94 T N -1.202 113.347 114.554 -0.009 0.000 2.896 94 T HA -0.138 4.212 4.350 0.001 0.000 0.263 94 T C 1.403 176.053 174.700 -0.084 0.000 1.050 94 T CA 1.043 63.093 62.100 -0.083 0.000 1.140 94 T CB -0.419 68.349 68.868 -0.166 0.000 0.877 94 T HN 0.196 nan 8.240 nan 0.000 0.457 95 Y N 2.389 122.651 120.300 -0.063 0.000 2.097 95 Y HA -0.203 4.348 4.550 0.001 0.000 0.282 95 Y C 3.101 179.145 175.900 0.240 0.000 1.152 95 Y CA 1.475 59.562 58.100 -0.022 0.000 1.136 95 Y CB -1.370 36.871 38.460 -0.365 0.000 0.975 95 Y HN 0.345 nan 8.280 nan 0.000 0.498 96 T N -1.295 113.397 114.554 0.230 0.000 2.684 96 T HA -0.262 4.088 4.350 0.001 0.000 0.267 96 T C 1.972 176.800 174.700 0.213 0.000 1.036 96 T CA 1.496 63.715 62.100 0.198 0.000 1.148 96 T CB -1.036 67.538 68.868 -0.490 0.000 0.863 96 T HN 0.217 nan 8.240 nan 0.000 0.436 97 L N 1.050 122.338 121.223 0.109 0.000 2.046 97 L HA 0.069 4.410 4.340 0.001 0.000 0.208 97 L C 2.649 179.594 176.870 0.124 0.000 1.077 97 L CA 1.307 56.225 54.840 0.131 0.000 0.747 97 L CB -0.853 41.257 42.059 0.084 0.000 0.896 97 L HN 0.194 nan 8.230 nan 0.000 0.432 98 V N -0.568 119.413 119.914 0.111 0.000 2.626 98 V HA -0.225 3.896 4.120 0.001 0.000 0.252 98 V C 2.427 178.578 176.094 0.096 0.000 1.067 98 V CA 1.463 63.812 62.300 0.081 0.000 1.081 98 V CB -0.301 31.549 31.823 0.045 0.000 0.686 98 V HN 0.522 nan 8.190 nan 0.000 0.468 99 L N 0.280 121.575 121.223 0.120 0.000 2.201 99 L HA -0.124 4.217 4.340 0.001 0.000 0.212 99 L C 2.263 179.023 176.870 -0.183 0.000 1.105 99 L CA 1.766 56.491 54.840 -0.192 0.000 0.775 99 L CB -0.568 41.060 42.059 -0.718 0.000 0.913 99 L HN 0.415 nan 8.230 nan 0.000 0.440 100 E N -0.873 119.298 120.200 -0.047 0.000 2.409 100 E HA -0.194 4.156 4.350 0.001 0.000 0.198 100 E C 1.054 177.615 176.600 -0.066 0.000 1.024 100 E CA 0.857 57.216 56.400 -0.068 0.000 0.861 100 E CB -0.098 29.620 29.700 0.029 0.000 0.788 100 E HN 0.556 nan 8.360 nan 0.000 0.521 101 D N 0.591 120.963 120.400 -0.047 0.000 2.289 101 D HA -0.021 4.620 4.640 0.001 0.000 0.207 101 D C 0.601 176.869 176.300 -0.054 0.000 0.966 101 D CA 0.397 54.373 54.000 -0.040 0.000 0.868 101 D CB 0.136 40.924 40.800 -0.020 0.000 0.943 101 D HN -0.097 nan 8.370 nan 0.000 0.514 102 S N 0.083 115.737 115.700 -0.078 0.000 2.531 102 S HA 0.090 4.561 4.470 0.001 0.000 0.279 102 S C 0.993 175.536 174.600 -0.095 0.000 1.305 102 S CA -0.183 57.971 58.200 -0.077 0.000 1.058 102 S CB 0.971 64.123 63.200 -0.079 0.000 0.899 102 S HN -0.006 nan 8.310 nan 0.000 0.493 103 K N 2.310 122.663 120.400 -0.079 0.000 2.367 103 K HA 0.104 4.424 4.320 0.001 0.000 0.195 103 K C -0.480 176.063 176.600 -0.095 0.000 1.060 103 K CA -0.138 56.099 56.287 -0.083 0.000 1.022 103 K CB 0.191 32.650 32.500 -0.068 0.000 0.894 103 K HN 0.625 nan 8.250 nan 0.000 0.540 104 D N 2.557 122.901 120.400 -0.094 0.000 2.531 104 D HA -0.104 4.537 4.640 0.001 0.000 0.239 104 D C -0.274 175.943 176.300 -0.138 0.000 1.144 104 D CA 0.669 54.605 54.000 -0.106 0.000 0.869 104 D CB 0.717 41.449 40.800 -0.115 0.000 1.160 104 D HN 0.130 nan 8.370 nan 0.000 0.484 105 D N 2.671 122.997 120.400 -0.124 0.000 2.417 105 D HA 0.053 4.694 4.640 0.001 0.000 0.250 105 D C -1.680 174.494 176.300 -0.209 0.000 1.166 105 D CA -1.438 52.479 54.000 -0.138 0.000 0.881 105 D CB 1.153 41.923 40.800 -0.049 0.000 1.164 105 D HN 0.039 nan 8.370 nan 0.000 0.467 106 P HA -0.105 nan 4.420 nan 0.000 0.219 106 P C 0.988 178.035 177.300 -0.421 0.000 1.150 106 P CA 0.570 63.346 63.100 -0.540 0.000 0.814 106 P CB -0.074 30.875 31.700 -1.252 0.000 0.787 107 Y N 2.762 122.767 120.300 -0.490 0.000 1.967 107 Y HA -0.266 4.285 4.550 0.001 0.000 0.255 107 Y C -0.705 175.220 175.900 0.042 0.000 1.197 107 Y CA 3.063 61.150 58.100 -0.022 0.000 1.088 107 Y CB -2.159 36.417 38.460 0.194 0.000 0.917 107 Y HN 0.078 nan 8.280 nan 0.000 0.497 108 P HA -0.164 nan 4.420 nan 0.000 0.218 108 P C 1.384 178.743 177.300 0.098 0.000 1.148 108 P CA 2.723 65.963 63.100 0.234 0.000 0.822 108 P CB -0.551 31.259 31.700 0.183 0.000 0.784 109 T N -5.295 109.297 114.554 0.063 0.000 3.088 109 T HA 0.102 4.452 4.350 0.001 0.000 0.259 109 T C 1.503 176.300 174.700 0.162 0.000 1.122 109 T CA 0.420 62.579 62.100 0.098 0.000 1.095 109 T CB -0.526 68.384 68.868 0.071 0.000 0.930 109 T HN -0.121 nan 8.240 nan 0.000 0.508 110 M N 0.752 120.417 119.600 0.107 0.000 2.356 110 M HA 0.369 4.849 4.480 0.001 0.000 0.262 110 M C 1.562 177.927 176.300 0.110 0.000 1.097 110 M CA -0.095 55.299 55.300 0.155 0.000 0.991 110 M CB 0.273 32.965 32.600 0.155 0.000 1.450 110 M HN 0.158 nan 8.290 nan 0.000 0.495 111 V N 1.364 121.298 119.914 0.034 0.000 2.970 111 V HA -0.128 3.993 4.120 0.001 0.000 0.260 111 V C 1.170 177.311 176.094 0.079 0.000 1.100 111 V CA 1.308 63.613 62.300 0.007 0.000 1.122 111 V CB -0.372 31.456 31.823 0.009 0.000 0.721 111 V HN 0.505 nan 8.190 nan 0.000 0.483 112 N N -1.914 116.851 118.700 0.108 0.000 2.299 112 N HA 0.096 4.837 4.740 0.001 0.000 0.246 112 N C 0.969 176.539 175.510 0.101 0.000 1.254 112 N CA -0.174 52.935 53.050 0.099 0.000 0.879 112 N CB 0.489 39.013 38.487 0.061 0.000 1.214 112 N HN 0.474 nan 8.380 nan 0.000 0.510 113 Y N 1.237 121.556 120.300 0.031 0.000 2.014 113 Y HA -0.299 4.251 4.550 0.001 0.000 0.272 113 Y C 2.041 177.916 175.900 -0.042 0.000 1.164 113 Y CA 1.895 59.976 58.100 -0.031 0.000 1.114 113 Y CB -0.558 37.889 38.460 -0.022 0.000 0.961 113 Y HN 0.070 nan 8.280 nan 0.000 0.489 114 F N 0.956 120.857 119.950 -0.081 0.000 2.171 114 F HA -0.222 4.306 4.527 0.001 0.000 0.300 114 F C 2.136 177.832 175.800 -0.174 0.000 1.090 114 F CA 2.127 60.022 58.000 -0.176 0.000 1.293 114 F CB -0.368 38.627 39.000 -0.007 0.000 1.013 114 F HN 0.143 nan 8.300 nan 0.000 0.486 115 D N 0.071 120.500 120.400 0.049 0.000 2.117 115 D HA -0.161 4.479 4.640 0.001 0.000 0.198 115 D C 1.836 178.040 176.300 -0.159 0.000 0.982 115 D CA 1.349 55.343 54.000 -0.010 0.000 0.828 115 D CB -0.423 40.414 40.800 0.061 0.000 0.967 115 D HN 0.339 nan 8.370 nan 0.000 0.464 116 D N 0.475 120.769 120.400 -0.177 0.000 2.097 116 D HA -0.110 4.531 4.640 0.001 0.000 0.197 116 D C 2.234 178.348 176.300 -0.310 0.000 0.984 116 D CA 0.263 54.147 54.000 -0.194 0.000 0.826 116 D CB -0.264 40.446 40.800 -0.150 0.000 0.973 116 D HN 0.108 nan 8.370 nan 0.000 0.460 117 L N 1.199 122.117 121.223 -0.508 0.000 1.989 117 L HA -0.239 4.101 4.340 0.001 0.000 0.211 117 L C 2.292 178.858 176.870 -0.506 0.000 1.071 117 L CA 1.882 56.362 54.840 -0.601 0.000 0.749 117 L CB -0.862 40.645 42.059 -0.921 0.000 0.890 117 L HN -0.097 nan 8.230 nan 0.000 0.431 118 Q N -0.293 119.127 119.800 -0.634 0.000 2.226 118 Q HA -0.091 4.249 4.340 0.001 0.000 0.204 118 Q C 1.708 177.550 176.000 -0.265 0.000 0.975 118 Q CA 1.833 57.340 55.803 -0.494 0.000 0.866 118 Q CB -0.307 28.082 28.738 -0.583 0.000 0.915 118 Q HN 0.610 nan 8.270 nan 0.000 0.440 119 A N -1.231 121.454 122.820 -0.225 0.000 2.308 119 A HA 0.495 4.815 4.320 0.001 0.000 0.217 119 A C 1.337 178.846 177.584 -0.125 0.000 1.216 119 A CA 0.441 52.395 52.037 -0.138 0.000 0.864 119 A CB -0.353 18.587 19.000 -0.100 0.000 0.902 119 A HN 0.625 nan 8.150 nan 0.000 0.499 120 G N 0.024 108.728 108.800 -0.159 0.000 2.198 120 G HA2 -0.255 3.706 3.960 0.001 0.000 0.257 120 G HA3 -0.255 3.706 3.960 0.001 0.000 0.257 120 G C 0.102 174.942 174.900 -0.099 0.000 1.042 120 G CA 0.306 45.330 45.100 -0.127 0.000 0.791 120 G HN 0.622 nan 8.290 nan 0.000 0.502 121 R N 0.016 120.452 120.500 -0.108 0.000 2.428 121 R HA 0.422 4.762 4.340 0.001 0.000 0.294 121 R C 0.528 176.787 176.300 -0.069 0.000 1.000 121 R CA -0.731 55.326 56.100 -0.072 0.000 0.960 121 R CB 1.212 31.475 30.300 -0.062 0.000 1.076 121 R HN 0.487 nan 8.270 nan 0.000 0.475 122 E N 2.592 122.771 120.200 -0.035 0.000 2.529 122 E HA -0.123 4.228 4.350 0.001 0.000 0.259 122 E C -0.303 176.298 176.600 0.001 0.000 0.966 122 E CA -0.066 56.327 56.400 -0.012 0.000 0.937 122 E CB 0.688 30.394 29.700 0.011 0.000 0.923 122 E HN 0.196 nan 8.360 nan 0.000 0.468 123 Q N 2.226 122.038 119.800 0.020 0.000 2.428 123 Q HA -0.034 4.307 4.340 0.001 0.000 0.276 123 Q C 0.630 176.706 176.000 0.126 0.000 1.059 123 Q CA 0.716 56.559 55.803 0.067 0.000 0.923 123 Q CB 1.178 30.004 28.738 0.147 0.000 1.283 123 Q HN 0.756 nan 8.270 nan 0.000 0.447 124 A N 2.637 125.545 122.820 0.148 0.000 1.872 124 A HA -0.118 4.203 4.320 0.001 0.000 0.214 124 A C 0.845 178.549 177.584 0.199 0.000 1.187 124 A CA 0.800 52.922 52.037 0.142 0.000 0.614 124 A CB -0.386 18.687 19.000 0.122 0.000 0.826 124 A HN 0.724 nan 8.150 nan 0.000 0.442 125 H N 1.623 120.815 119.070 0.204 0.000 2.975 125 H HA 0.111 4.668 4.556 0.001 0.000 0.303 125 H C -1.542 173.928 175.328 0.236 0.000 1.023 125 H CA -1.649 54.543 56.048 0.240 0.000 1.473 125 H CB 1.153 31.129 29.762 0.357 0.000 1.498 125 H HN 0.158 nan 8.280 nan 0.000 0.549 126 P HA -0.185 nan 4.420 nan 0.000 0.218 126 P C 1.669 179.173 177.300 0.340 0.000 1.148 126 P CA 1.079 64.368 63.100 0.315 0.000 0.822 126 P CB -0.023 31.799 31.700 0.203 0.000 0.784 127 W N -0.088 121.375 121.300 0.273 0.000 2.355 127 W HA -0.088 4.573 4.660 0.001 0.000 0.309 127 W C 2.375 178.757 176.519 -0.227 0.000 1.206 127 W CA 1.309 58.597 57.345 -0.095 0.000 1.284 127 W CB -1.186 28.097 29.460 -0.295 0.000 1.145 127 W HN -0.125 nan 8.180 nan 0.000 0.502 128 W N 0.181 121.553 121.300 0.121 0.000 2.342 128 W HA -0.218 4.442 4.660 0.001 0.000 0.297 128 W C 2.608 179.056 176.519 -0.118 0.000 1.213 128 W CA 1.805 59.114 57.345 -0.059 0.000 1.251 128 W CB -0.802 28.652 29.460 -0.010 0.000 1.136 128 W HN -0.025 nan 8.180 nan 0.000 0.526 129 A N 0.055 122.999 122.820 0.206 0.000 1.883 129 A HA -0.205 4.116 4.320 0.001 0.000 0.217 129 A C 1.913 179.483 177.584 -0.023 0.000 1.186 129 A CA 1.634 53.730 52.037 0.097 0.000 0.624 129 A CB -0.997 18.066 19.000 0.106 0.000 0.822 129 A HN 0.291 nan 8.150 nan 0.000 0.444 130 L N -0.794 120.338 121.223 -0.152 0.000 2.007 130 L HA -0.127 4.213 4.340 0.001 0.000 0.205 130 L C 2.578 179.156 176.870 -0.487 0.000 1.073 130 L CA 1.139 55.812 54.840 -0.278 0.000 0.744 130 L CB -0.737 41.106 42.059 -0.359 0.000 0.898 130 L HN 0.240 nan 8.230 nan 0.000 0.435 131 V N 0.327 119.694 119.914 -0.912 0.000 2.332 131 V HA -0.293 3.827 4.120 0.001 0.000 0.248 131 V C 2.090 178.023 176.094 -0.269 0.000 1.055 131 V CA 1.897 63.652 62.300 -0.908 0.000 1.038 131 V CB -0.723 30.266 31.823 -1.390 0.000 0.651 131 V HN 0.490 nan 8.190 nan 0.000 0.450 132 N N -0.379 118.323 118.700 0.004 0.000 2.459 132 N HA -0.126 4.615 4.740 0.001 0.000 0.181 132 N C 1.831 177.421 175.510 0.133 0.000 1.046 132 N CA 1.031 54.212 53.050 0.219 0.000 0.904 132 N CB -0.066 38.550 38.487 0.215 0.000 0.964 132 N HN 0.719 nan 8.380 nan 0.000 0.444 133 E N -0.354 119.881 120.200 0.058 0.000 2.086 133 E HA -0.138 4.212 4.350 0.001 0.000 0.190 133 E C 1.653 178.309 176.600 0.093 0.000 0.975 133 E CA 0.525 56.963 56.400 0.063 0.000 0.813 133 E CB -0.039 29.690 29.700 0.049 0.000 0.768 133 E HN 0.367 nan 8.360 nan 0.000 0.457 134 H N -0.578 118.493 119.070 0.001 0.000 2.512 134 H HA -0.053 4.503 4.556 0.001 0.000 0.279 134 H C 1.587 176.936 175.328 0.035 0.000 0.999 134 H CA 0.463 56.519 56.048 0.013 0.000 1.283 134 H CB 0.010 29.792 29.762 0.032 0.000 1.421 134 H HN 0.192 nan 8.280 nan 0.000 0.554 135 F N 1.935 121.867 119.950 -0.030 0.000 2.085 135 F HA -0.141 4.386 4.527 0.001 0.000 0.299 135 F C -0.705 174.990 175.800 -0.175 0.000 1.096 135 F CA 1.150 59.097 58.000 -0.088 0.000 1.227 135 F CB -1.482 37.497 39.000 -0.034 0.000 0.983 135 F HN 0.291 nan 8.300 nan 0.000 0.482 136 P HA -0.190 nan 4.420 nan 0.000 0.217 136 P C 0.983 178.262 177.300 -0.036 0.000 1.148 136 P CA 2.039 65.141 63.100 0.003 0.000 0.828 136 P CB -0.238 31.453 31.700 -0.015 0.000 0.783 137 N N -1.305 117.284 118.700 -0.185 0.000 2.309 137 N HA -0.080 4.660 4.740 0.001 0.000 0.182 137 N C 1.353 176.804 175.510 -0.098 0.000 1.018 137 N CA 0.476 53.411 53.050 -0.190 0.000 0.876 137 N CB -0.170 38.047 38.487 -0.450 0.000 0.972 137 N HN 0.006 nan 8.380 nan 0.000 0.434 138 V N 1.319 121.169 119.914 -0.106 0.000 2.300 138 V HA -0.092 4.028 4.120 0.001 0.000 0.241 138 V C 2.109 178.312 176.094 0.182 0.000 1.034 138 V CA 1.023 63.301 62.300 -0.037 0.000 1.021 138 V CB -0.481 31.306 31.823 -0.060 0.000 0.662 138 V HN 0.258 nan 8.190 nan 0.000 0.458 139 L N 1.032 122.363 121.223 0.180 0.000 2.263 139 L HA -0.219 4.122 4.340 0.001 0.000 0.216 139 L C 2.801 179.813 176.870 0.236 0.000 1.111 139 L CA 1.796 56.752 54.840 0.194 0.000 0.773 139 L CB -0.776 41.275 42.059 -0.014 0.000 0.906 139 L HN 0.501 nan 8.230 nan 0.000 0.439 140 R N -0.491 120.127 120.500 0.196 0.000 2.120 140 R HA -0.162 4.179 4.340 0.001 0.000 0.234 140 R C 1.692 178.060 176.300 0.113 0.000 1.123 140 R CA 1.465 57.647 56.100 0.137 0.000 0.975 140 R CB -0.879 29.475 30.300 0.089 0.000 0.866 140 R HN 0.512 nan 8.270 nan 0.000 0.446 141 H N -0.463 118.532 119.070 -0.125 0.000 2.559 141 H HA 0.069 4.625 4.556 0.001 0.000 0.273 141 H C -0.214 174.704 175.328 -0.683 0.000 1.000 141 H CA 0.192 55.967 56.048 -0.455 0.000 1.195 141 H CB 0.007 29.319 29.762 -0.750 0.000 1.368 141 H HN 0.125 nan 8.280 nan 0.000 0.592 142 F N -0.498 119.550 119.950 0.164 0.000 2.611 142 F HA 0.482 5.010 4.527 0.001 0.000 0.324 142 F C 1.012 176.875 175.800 0.105 0.000 1.061 142 F CA -1.108 56.974 58.000 0.137 0.000 0.954 142 F CB 0.820 39.887 39.000 0.112 0.000 1.301 142 F HN -0.152 nan 8.300 nan 0.000 0.482 143 G N 0.517 109.518 108.800 0.335 0.000 2.621 143 G HA2 0.364 4.325 3.960 0.001 0.000 0.271 143 G HA3 0.364 4.325 3.960 0.001 0.000 0.271 143 G C -1.870 173.154 174.900 0.206 0.000 1.236 143 G CA -1.137 44.102 45.100 0.232 0.000 0.958 143 G HN 0.417 nan 8.290 nan 0.000 0.512 144 P HA -0.183 nan 4.420 nan 0.000 0.215 144 P C 1.679 179.076 177.300 0.161 0.000 1.157 144 P CA 1.008 64.191 63.100 0.137 0.000 0.863 144 P CB 0.034 31.809 31.700 0.126 0.000 0.787 145 F N 1.063 121.070 119.950 0.095 0.000 2.046 145 F HA -0.221 4.306 4.527 0.001 0.000 0.297 145 F C 2.402 178.225 175.800 0.037 0.000 1.123 145 F CA 1.589 59.643 58.000 0.091 0.000 1.199 145 F CB -1.223 37.866 39.000 0.148 0.000 0.972 145 F HN -0.039 nan 8.300 nan 0.000 0.474 146 C N -0.094 119.253 119.300 0.077 0.000 2.413 146 C HA -0.182 4.279 4.460 0.001 0.000 0.277 146 C C 3.045 177.923 174.990 -0.187 0.000 1.265 146 C CA 1.539 60.516 59.018 -0.069 0.000 1.752 146 C CB -1.509 26.325 27.740 0.157 0.000 1.998 146 C HN 0.588 nan 8.230 nan 0.000 0.489 147 S N 0.686 116.332 115.700 -0.090 0.000 2.368 147 S HA -0.150 4.321 4.470 0.001 0.000 0.224 147 S C 1.713 176.190 174.600 -0.205 0.000 1.029 147 S CA 1.274 59.386 58.200 -0.147 0.000 0.988 147 S CB -0.476 62.687 63.200 -0.062 0.000 0.838 147 S HN 0.568 nan 8.310 nan 0.000 0.462 148 L N 3.001 124.114 121.223 -0.183 0.000 2.042 148 L HA -0.123 4.218 4.340 0.001 0.000 0.210 148 L C 1.756 178.512 176.870 -0.190 0.000 1.076 148 L CA 1.755 56.490 54.840 -0.176 0.000 0.749 148 L CB -0.930 41.033 42.059 -0.160 0.000 0.893 148 L HN 0.233 nan 8.230 nan 0.000 0.432 149 N N -0.537 117.991 118.700 -0.287 0.000 2.120 149 N HA -0.193 4.548 4.740 0.001 0.000 0.188 149 N C 1.823 177.292 175.510 -0.068 0.000 1.024 149 N CA 1.844 54.774 53.050 -0.200 0.000 0.852 149 N CB -0.206 38.096 38.487 -0.308 0.000 1.003 149 N HN 0.315 nan 8.380 nan 0.000 0.424 150 L N 1.353 122.504 121.223 -0.120 0.000 2.056 150 L HA -0.072 4.268 4.340 0.001 0.000 0.207 150 L C 2.285 179.217 176.870 0.104 0.000 1.078 150 L CA 0.964 55.786 54.840 -0.030 0.000 0.749 150 L CB -0.443 41.527 42.059 -0.147 0.000 0.901 150 L HN 0.128 nan 8.230 nan 0.000 0.433 151 I N -0.930 119.605 120.570 -0.058 0.000 2.163 151 I HA -0.340 3.830 4.170 0.001 0.000 0.243 151 I C 2.675 178.891 176.117 0.165 0.000 1.085 151 I CA 1.310 62.601 61.300 -0.016 0.000 1.347 151 I CB -0.337 37.552 38.000 -0.185 0.000 1.044 151 I HN 0.240 nan 8.210 nan 0.000 0.408 152 R N 0.090 120.649 120.500 0.099 0.000 2.075 152 R HA -0.159 4.182 4.340 0.001 0.000 0.230 152 R C 2.540 178.949 176.300 0.181 0.000 1.140 152 R CA 1.742 57.919 56.100 0.129 0.000 0.928 152 R CB -0.830 29.517 30.300 0.078 0.000 0.834 152 R HN 0.227 nan 8.270 nan 0.000 0.429 153 S N 0.061 115.857 115.700 0.161 0.000 2.380 153 S HA -0.201 4.270 4.470 0.001 0.000 0.229 153 S C 1.834 176.613 174.600 0.298 0.000 1.043 153 S CA 2.121 60.426 58.200 0.174 0.000 1.038 153 S CB -0.344 62.961 63.200 0.175 0.000 0.872 153 S HN 0.394 nan 8.310 nan 0.000 0.456 154 T N 2.101 116.888 114.554 0.388 0.000 2.821 154 T HA -0.027 4.323 4.350 0.001 0.000 0.267 154 T C 1.645 176.723 174.700 0.629 0.000 1.046 154 T CA 1.250 63.661 62.100 0.519 0.000 1.139 154 T CB -0.389 68.867 68.868 0.647 0.000 0.871 154 T HN 0.267 nan 8.240 nan 0.000 0.454 155 L N 1.798 123.371 121.223 0.582 0.000 2.027 155 L HA -0.052 4.289 4.340 0.001 0.000 0.206 155 L C 1.789 178.925 176.870 0.443 0.000 1.074 155 L CA 1.857 57.051 54.840 0.590 0.000 0.745 155 L CB -0.888 41.389 42.059 0.363 0.000 0.898 155 L HN 0.076 nan 8.230 nan 0.000 0.433 156 D N -0.968 119.611 120.400 0.297 0.000 2.133 156 D HA -0.285 4.356 4.640 0.001 0.000 0.195 156 D C 2.008 178.415 176.300 0.178 0.000 0.997 156 D CA 1.646 55.752 54.000 0.176 0.000 0.840 156 D CB -0.439 40.413 40.800 0.087 0.000 0.947 156 D HN 0.390 nan 8.370 nan 0.000 0.452 157 F N 0.045 120.072 119.950 0.130 0.000 2.171 157 F HA -0.134 4.393 4.527 0.001 0.000 0.300 157 F C 2.011 177.824 175.800 0.022 0.000 1.090 157 F CA 0.841 58.882 58.000 0.068 0.000 1.293 157 F CB -0.341 38.722 39.000 0.106 0.000 1.013 157 F HN -0.080 nan 8.300 nan 0.000 0.486 158 F N 1.241 121.179 119.950 -0.020 0.000 2.134 158 F HA -0.165 4.362 4.527 0.001 0.000 0.299 158 F C 2.522 178.267 175.800 -0.092 0.000 1.097 158 F CA 2.138 60.014 58.000 -0.207 0.000 1.264 158 F CB -0.692 38.352 39.000 0.073 0.000 1.001 158 F HN 0.152 nan 8.300 nan 0.000 0.479 159 E N -0.315 119.956 120.200 0.118 0.000 2.106 159 E HA -0.110 4.240 4.350 0.001 0.000 0.192 159 E C 2.501 179.027 176.600 -0.123 0.000 0.984 159 E CA 1.076 57.516 56.400 0.067 0.000 0.806 159 E CB -0.714 29.031 29.700 0.076 0.000 0.750 159 E HN 0.482 nan 8.360 nan 0.000 0.458 160 G N 0.573 109.237 108.800 -0.227 0.000 2.469 160 G HA2 -0.325 3.635 3.960 0.001 0.000 0.219 160 G HA3 -0.325 3.635 3.960 0.001 0.000 0.219 160 G C 1.679 176.375 174.900 -0.339 0.000 1.150 160 G CA 1.078 45.993 45.100 -0.308 0.000 0.763 160 G HN 0.419 nan 8.290 nan 0.000 0.561 161 C N -1.121 117.864 119.300 -0.525 0.000 2.435 161 C HA 0.031 4.492 4.460 0.001 0.000 0.279 161 C C 2.332 177.189 174.990 -0.222 0.000 1.321 161 C CA 0.114 58.844 59.018 -0.479 0.000 1.752 161 C CB -1.002 26.296 27.740 -0.737 0.000 1.959 161 C HN 0.664 nan 8.230 nan 0.000 0.500 162 W N 1.856 122.900 121.300 -0.427 0.000 2.354 162 W HA -0.082 4.579 4.660 0.001 0.000 0.315 162 W C 2.112 178.596 176.519 -0.059 0.000 1.206 162 W CA 1.280 58.480 57.345 -0.242 0.000 1.290 162 W CB -0.999 28.313 29.460 -0.247 0.000 1.152 162 W HN 0.292 nan 8.180 nan 0.000 0.489 163 I N 0.699 121.330 120.570 0.102 0.000 2.208 163 I HA -0.310 3.861 4.170 0.001 0.000 0.245 163 I C 2.347 178.561 176.117 0.161 0.000 1.097 163 I CA 1.543 62.870 61.300 0.045 0.000 1.363 163 I CB -0.695 37.300 38.000 -0.008 0.000 1.051 163 I HN -0.087 nan 8.210 nan 0.000 0.413 164 E N 0.779 121.023 120.200 0.074 0.000 2.204 164 E HA -0.245 4.106 4.350 0.001 0.000 0.195 164 E C 2.086 178.752 176.600 0.110 0.000 0.990 164 E CA 1.015 57.455 56.400 0.066 0.000 0.821 164 E CB -0.241 29.434 29.700 -0.041 0.000 0.750 164 E HN 0.644 nan 8.360 nan 0.000 0.477 165 Q N -0.467 119.421 119.800 0.147 0.000 2.291 165 Q HA -0.143 4.197 4.340 0.001 0.000 0.206 165 Q C 1.177 177.239 176.000 0.103 0.000 0.976 165 Q CA 0.871 56.733 55.803 0.099 0.000 0.875 165 Q CB -0.105 28.679 28.738 0.077 0.000 0.927 165 Q HN 0.400 nan 8.270 nan 0.000 0.450 166 Y N 0.572 120.910 120.300 0.063 0.000 2.529 166 Y HA 0.041 4.592 4.550 0.001 0.000 0.290 166 Y C 0.682 176.636 175.900 0.089 0.000 1.177 166 Y CA -0.225 57.910 58.100 0.059 0.000 1.305 166 Y CB -0.139 38.337 38.460 0.025 0.000 1.047 166 Y HN 0.153 nan 8.280 nan 0.000 0.522 167 N N 0.759 119.585 118.700 0.211 0.000 2.699 167 N HA -0.283 4.457 4.740 0.001 0.000 0.256 167 N C -0.880 174.757 175.510 0.211 0.000 0.993 167 N CA 0.348 53.491 53.050 0.155 0.000 0.759 167 N CB -1.209 37.326 38.487 0.080 0.000 0.906 167 N HN 0.284 nan 8.380 nan 0.000 0.541 168 F N -0.273 119.719 119.950 0.070 0.000 2.411 168 F HA 0.542 5.070 4.527 0.001 0.000 0.352 168 F C 1.329 177.135 175.800 0.009 0.000 1.123 168 F CA -0.410 57.576 58.000 -0.023 0.000 1.044 168 F CB 1.125 40.057 39.000 -0.112 0.000 1.135 168 F HN 0.002 nan 8.300 nan 0.000 0.461 169 G N 3.267 111.742 108.800 -0.543 0.000 3.233 169 G HA2 0.425 4.386 3.960 0.001 0.000 0.227 169 G HA3 0.425 4.386 3.960 0.001 0.000 0.227 169 G C 0.459 174.919 174.900 -0.733 0.000 1.175 169 G CA 0.117 44.990 45.100 -0.380 0.000 0.781 169 G HN 1.376 nan 8.290 nan 0.000 0.542 170 G N -0.577 106.916 108.800 -2.178 0.000 2.719 170 G HA2 -0.049 3.912 3.960 0.001 0.000 0.686 170 G HA3 -0.049 3.912 3.960 0.001 0.000 0.686 170 G C -0.506 173.795 174.900 -0.998 0.000 1.201 170 G CA -1.087 42.873 45.100 -1.901 0.000 0.768 170 G HN 0.208 nan 8.290 nan 0.000 0.629 171 F N 1.824 121.569 119.950 -0.342 0.000 2.429 171 F HA 0.455 4.983 4.527 0.001 0.000 0.348 171 F C -1.202 174.554 175.800 -0.073 0.000 1.109 171 F CA -1.859 56.097 58.000 -0.074 0.000 1.232 171 F CB 0.690 39.723 39.000 0.056 0.000 1.157 171 F HN 0.208 nan 8.300 nan 0.000 0.564 172 P HA 0.152 nan 4.420 nan 0.000 0.262 172 P C 0.585 177.931 177.300 0.077 0.000 1.182 172 P CA 1.190 64.353 63.100 0.105 0.000 0.761 172 P CB 0.412 32.162 31.700 0.084 0.000 0.795 173 G N 2.273 111.109 108.800 0.059 0.000 2.175 173 G HA2 -0.246 3.715 3.960 0.001 0.000 0.244 173 G HA3 -0.246 3.715 3.960 0.001 0.000 0.244 173 G C 0.618 175.320 174.900 -0.331 0.000 0.982 173 G CA 0.168 45.189 45.100 -0.133 0.000 0.641 173 G HN 0.629 nan 8.290 nan 0.000 0.527 174 S N 0.950 116.607 115.700 -0.071 0.000 3.208 174 S HA 0.414 4.884 4.470 0.001 0.000 0.195 174 S C 1.836 176.517 174.600 0.135 0.000 1.394 174 S CA 0.078 58.285 58.200 0.012 0.000 1.127 174 S CB -0.373 62.908 63.200 0.135 0.000 1.282 174 S HN 0.399 nan 8.310 nan 0.000 0.513 175 H N 1.287 120.450 119.070 0.154 0.000 2.431 175 H HA -0.100 4.457 4.556 0.001 0.000 0.297 175 H C 1.302 176.751 175.328 0.202 0.000 1.115 175 H CA 1.480 57.630 56.048 0.172 0.000 1.277 175 H CB -0.186 29.651 29.762 0.125 0.000 1.372 175 H HN 0.522 nan 8.280 nan 0.000 0.516 176 D N -0.335 120.227 120.400 0.270 0.000 2.348 176 D HA -0.104 4.537 4.640 0.001 0.000 0.216 176 D C 1.953 178.402 176.300 0.249 0.000 0.970 176 D CA 0.237 54.371 54.000 0.223 0.000 0.889 176 D CB -0.324 40.556 40.800 0.134 0.000 0.912 176 D HN 0.389 nan 8.370 nan 0.000 0.524 177 Y N 1.730 122.124 120.300 0.157 0.000 2.109 177 Y HA -0.088 4.463 4.550 0.001 0.000 0.285 177 Y C -0.923 175.127 175.900 0.250 0.000 1.131 177 Y CA 1.428 59.647 58.100 0.200 0.000 1.121 177 Y CB -1.218 37.315 38.460 0.122 0.000 0.987 177 Y HN -0.015 nan 8.280 nan 0.000 0.495 178 P HA -0.258 nan 4.420 nan 0.000 0.214 178 P C 1.301 178.510 177.300 -0.151 0.000 1.172 178 P CA 2.793 65.815 63.100 -0.129 0.000 0.925 178 P CB -0.154 31.478 31.700 -0.115 0.000 0.793 179 Q N -2.290 117.527 119.800 0.029 0.000 2.224 179 Q HA -0.161 4.179 4.340 0.001 0.000 0.203 179 Q C 2.032 178.046 176.000 0.023 0.000 0.970 179 Q CA 0.909 56.757 55.803 0.075 0.000 0.865 179 Q CB -0.601 28.271 28.738 0.222 0.000 0.922 179 Q HN 0.270 nan 8.270 nan 0.000 0.445 180 F N 1.134 121.018 119.950 -0.109 0.000 2.102 180 F HA -0.230 4.298 4.527 0.001 0.000 0.298 180 F C 1.822 177.500 175.800 -0.204 0.000 1.105 180 F CA 1.082 59.006 58.000 -0.126 0.000 1.239 180 F CB -0.304 38.627 39.000 -0.115 0.000 0.991 180 F HN 0.051 nan 8.300 nan 0.000 0.474 181 L N 0.785 121.649 121.223 -0.597 0.000 2.109 181 L HA -0.037 4.304 4.340 0.001 0.000 0.207 181 L C 2.498 179.137 176.870 -0.384 0.000 1.086 181 L CA 1.600 56.042 54.840 -0.662 0.000 0.760 181 L CB -0.985 40.692 42.059 -0.636 0.000 0.910 181 L HN 0.114 nan 8.230 nan 0.000 0.437 182 R N -0.017 120.330 120.500 -0.254 0.000 2.075 182 R HA -0.087 4.253 4.340 0.001 0.000 0.232 182 R C 2.423 178.645 176.300 -0.129 0.000 1.126 182 R CA 1.625 57.642 56.100 -0.138 0.000 0.963 182 R CB -0.434 29.824 30.300 -0.070 0.000 0.858 182 R HN 0.323 nan 8.270 nan 0.000 0.435 183 R N -0.847 119.558 120.500 -0.159 0.000 2.075 183 R HA -0.096 4.245 4.340 0.001 0.000 0.232 183 R C 2.174 178.378 176.300 -0.161 0.000 1.126 183 R CA 1.690 57.702 56.100 -0.146 0.000 0.963 183 R CB -0.363 29.860 30.300 -0.128 0.000 0.858 183 R HN 0.171 nan 8.270 nan 0.000 0.435 184 M N 1.840 121.275 119.600 -0.275 0.000 2.108 184 M HA -0.204 4.276 4.480 0.001 0.000 0.257 184 M C 0.561 176.797 176.300 -0.106 0.000 1.071 184 M CA 1.916 57.053 55.300 -0.273 0.000 1.093 184 M CB -0.118 32.175 32.600 -0.512 0.000 1.345 184 M HN 0.131 nan 8.290 nan 0.000 0.403 185 N N -1.743 116.917 118.700 -0.067 0.000 2.291 185 N HA 0.301 5.041 4.740 0.001 0.000 0.244 185 N C 0.933 176.610 175.510 0.278 0.000 1.216 185 N CA 0.387 53.516 53.050 0.131 0.000 0.879 185 N CB -0.811 37.633 38.487 -0.072 0.000 1.167 185 N HN 0.270 nan 8.380 nan 0.000 0.515 186 G N -0.235 108.651 108.800 0.144 0.000 2.683 186 G HA2 0.112 4.072 3.960 0.001 0.000 0.213 186 G HA3 0.112 4.072 3.960 0.001 0.000 0.213 186 G C 0.618 175.606 174.900 0.147 0.000 1.142 186 G CA -0.151 45.024 45.100 0.125 0.000 0.793 186 G HN 0.312 nan 8.290 nan 0.000 0.534 187 L N -0.516 120.808 121.223 0.168 0.000 4.179 187 L HA -0.252 4.088 4.340 0.001 0.000 0.418 187 L C 2.251 179.210 176.870 0.149 0.000 1.168 187 L CA -0.003 54.935 54.840 0.163 0.000 0.972 187 L CB -1.419 40.720 42.059 0.134 0.000 2.005 187 L HN 0.313 nan 8.230 nan 0.000 0.935 188 G N -0.813 108.046 108.800 0.099 0.000 2.513 188 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 188 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 188 G C 1.040 176.051 174.900 0.186 0.000 1.160 188 G CA 1.357 46.517 45.100 0.101 0.000 0.767 188 G HN 0.734 nan 8.290 nan 0.000 0.571 189 H N -1.442 117.633 119.070 0.008 0.000 2.524 189 H HA -0.008 4.549 4.556 0.001 0.000 0.282 189 H C 2.496 177.822 175.328 -0.003 0.000 1.016 189 H CA 0.405 56.445 56.048 -0.013 0.000 1.270 189 H CB 0.154 29.905 29.762 -0.018 0.000 1.394 189 H HN 0.450 nan 8.280 nan 0.000 0.568 190 C N 0.219 119.632 119.300 0.189 0.000 2.500 190 C HA -0.062 4.398 4.460 0.001 0.000 0.279 190 C C 2.715 177.831 174.990 0.210 0.000 1.288 190 C CA 0.294 59.417 59.018 0.176 0.000 1.710 190 C CB -0.953 26.945 27.740 0.262 0.000 2.052 190 C HN 0.274 nan 8.230 nan 0.000 0.488 191 V N 1.525 121.579 119.914 0.234 0.000 2.220 191 V HA -0.066 4.054 4.120 0.001 0.000 0.246 191 V C 2.833 178.867 176.094 -0.099 0.000 1.049 191 V CA 2.523 64.929 62.300 0.176 0.000 1.003 191 V CB -1.660 30.147 31.823 -0.026 0.000 0.634 191 V HN 0.666 nan 8.190 nan 0.000 0.444 192 G N -0.602 108.089 108.800 -0.183 0.000 2.503 192 G HA2 -0.268 3.692 3.960 0.001 0.000 0.221 192 G HA3 -0.268 3.692 3.960 0.001 0.000 0.221 192 G C 1.596 176.455 174.900 -0.069 0.000 1.131 192 G CA 1.263 46.233 45.100 -0.216 0.000 0.756 192 G HN 0.680 nan 8.290 nan 0.000 0.572 193 A N 0.670 123.472 122.820 -0.031 0.000 2.072 193 A HA 0.228 4.549 4.320 0.001 0.000 0.216 193 A C 2.526 180.070 177.584 -0.067 0.000 1.156 193 A CA 1.668 53.724 52.037 0.032 0.000 0.701 193 A CB -0.259 18.682 19.000 -0.099 0.000 0.816 193 A HN 0.662 nan 8.150 nan 0.000 0.458 194 S N -0.246 115.376 115.700 -0.131 0.000 2.561 194 S HA 0.111 4.582 4.470 0.001 0.000 0.225 194 S C 1.397 176.195 174.600 0.332 0.000 0.977 194 S CA 0.430 58.562 58.200 -0.113 0.000 0.926 194 S CB -0.525 62.744 63.200 0.114 0.000 0.769 194 S HN 0.437 nan 8.310 nan 0.000 0.533 195 L N -0.575 120.483 121.223 -0.274 0.000 2.551 195 L HA 0.168 4.509 4.340 0.001 0.000 0.228 195 L C 0.058 176.235 176.870 -1.155 0.000 1.153 195 L CA 0.259 54.550 54.840 -0.915 0.000 0.851 195 L CB -0.304 40.738 42.059 -1.694 0.000 0.959 195 L HN 0.477 nan 8.230 nan 0.000 0.451 196 W N -0.217 121.114 121.300 0.051 0.000 2.165 196 W HA 0.374 5.035 4.660 0.001 0.000 0.288 196 W C -2.465 174.218 176.519 0.274 0.000 0.900 196 W CA -2.254 55.021 57.345 -0.117 0.000 1.914 196 W CB -0.252 29.015 29.460 -0.320 0.000 2.091 196 W HN -0.253 nan 8.180 nan 0.000 0.399 197 P HA -0.036 nan 4.420 nan 0.000 0.268 197 P C 0.993 178.420 177.300 0.210 0.000 1.204 197 P CA 0.111 63.220 63.100 0.015 0.000 0.768 197 P CB 0.903 32.587 31.700 -0.028 0.000 0.842 198 K N 2.406 122.865 120.400 0.099 0.000 2.519 198 K HA -0.159 4.162 4.320 0.001 0.000 0.196 198 K C 1.341 177.996 176.600 0.091 0.000 1.041 198 K CA 1.349 57.725 56.287 0.149 0.000 0.954 198 K CB -0.180 32.386 32.500 0.109 0.000 0.774 198 K HN 0.370 nan 8.250 nan 0.000 0.480 199 E N 0.587 120.811 120.200 0.040 0.000 2.230 199 E HA -0.095 4.256 4.350 0.001 0.000 0.192 199 E C 1.274 177.873 176.600 -0.001 0.000 0.987 199 E CA 0.703 57.102 56.400 -0.003 0.000 0.841 199 E CB 0.334 30.005 29.700 -0.049 0.000 0.783 199 E HN 0.380 nan 8.360 nan 0.000 0.481 200 Q N -1.378 118.453 119.800 0.052 0.000 2.350 200 Q HA 0.212 4.552 4.340 0.001 0.000 0.225 200 Q C -0.738 175.038 176.000 -0.374 0.000 0.878 200 Q CA 0.275 55.994 55.803 -0.140 0.000 0.935 200 Q CB 0.791 29.461 28.738 -0.113 0.000 1.099 200 Q HN 0.022 nan 8.270 nan 0.000 0.527 201 F N -0.440 119.580 119.950 0.116 0.000 2.650 201 F HA 0.474 5.001 4.527 0.001 0.000 0.320 201 F C -0.288 175.570 175.800 0.097 0.000 1.091 201 F CA -1.335 56.743 58.000 0.130 0.000 0.962 201 F CB 1.258 40.398 39.000 0.234 0.000 1.363 201 F HN -0.271 nan 8.300 nan 0.000 0.482 202 N N 0.931 119.801 118.700 0.283 0.000 2.531 202 N HA 0.189 4.930 4.740 0.001 0.000 0.268 202 N C 0.179 175.777 175.510 0.147 0.000 1.023 202 N CA -0.098 53.054 53.050 0.171 0.000 0.896 202 N CB 1.263 39.810 38.487 0.100 0.000 1.233 202 N HN 0.742 nan 8.380 nan 0.000 0.512 203 E N 2.465 122.759 120.200 0.157 0.000 2.049 203 E HA -0.231 4.119 4.350 0.001 0.000 0.198 203 E C 1.223 177.906 176.600 0.138 0.000 1.007 203 E CA 1.452 57.930 56.400 0.130 0.000 0.809 203 E CB 0.124 29.950 29.700 0.211 0.000 0.749 203 E HN 0.616 nan 8.360 nan 0.000 0.450 204 R N 0.794 121.368 120.500 0.124 0.000 2.105 204 R HA -0.084 4.256 4.340 0.001 0.000 0.239 204 R C 2.470 178.803 176.300 0.054 0.000 1.135 204 R CA 1.491 57.634 56.100 0.072 0.000 0.967 204 R CB -0.372 29.946 30.300 0.030 0.000 0.861 204 R HN 0.020 nan 8.270 nan 0.000 0.442 205 S N 1.185 116.918 115.700 0.055 0.000 2.377 205 S HA 0.094 4.564 4.470 0.001 0.000 0.223 205 S C 1.594 176.215 174.600 0.035 0.000 1.030 205 S CA 0.673 58.895 58.200 0.037 0.000 0.970 205 S CB 0.126 63.349 63.200 0.038 0.000 0.830 205 S HN 0.177 nan 8.310 nan 0.000 0.473 206 L N 0.987 122.227 121.223 0.027 0.000 2.848 206 L HA 0.325 4.665 4.340 0.001 0.000 0.240 206 L C 1.180 177.985 176.870 -0.108 0.000 1.232 206 L CA -0.180 54.635 54.840 -0.041 0.000 1.031 206 L CB -0.282 41.731 42.059 -0.076 0.000 1.338 206 L HN 0.185 nan 8.230 nan 0.000 0.509 207 F N 1.108 120.949 119.950 -0.181 0.000 2.087 207 F HA -0.317 4.211 4.527 0.001 0.000 0.299 207 F C 1.991 177.647 175.800 -0.239 0.000 1.100 207 F CA 1.976 59.818 58.000 -0.263 0.000 1.226 207 F CB 0.078 38.907 39.000 -0.286 0.000 0.983 207 F HN 0.059 nan 8.300 nan 0.000 0.479 208 L N -0.483 120.769 121.223 0.049 0.000 2.093 208 L HA -0.184 4.156 4.340 0.001 0.000 0.208 208 L C 2.281 179.088 176.870 -0.106 0.000 1.085 208 L CA 1.365 56.200 54.840 -0.009 0.000 0.755 208 L CB -0.790 41.289 42.059 0.033 0.000 0.904 208 L HN 0.098 nan 8.230 nan 0.000 0.435 209 E N 0.621 120.749 120.200 -0.120 0.000 2.028 209 E HA -0.164 4.186 4.350 0.001 0.000 0.191 209 E C 2.188 178.636 176.600 -0.254 0.000 0.988 209 E CA 1.199 57.544 56.400 -0.091 0.000 0.799 209 E CB -0.230 29.399 29.700 -0.118 0.000 0.755 209 E HN 0.340 nan 8.360 nan 0.000 0.447 210 I N 0.631 120.880 120.570 -0.535 0.000 2.127 210 I HA -0.332 3.838 4.170 0.001 0.000 0.241 210 I C 2.205 178.103 176.117 -0.366 0.000 1.075 210 I CA 1.507 62.376 61.300 -0.719 0.000 1.334 210 I CB -0.549 36.996 38.000 -0.758 0.000 1.040 210 I HN 0.153 nan 8.210 nan 0.000 0.405 211 T N 0.218 114.535 114.554 -0.395 0.000 2.665 211 T HA -0.204 4.147 4.350 0.001 0.000 0.268 211 T C 2.093 176.721 174.700 -0.120 0.000 1.035 211 T CA 2.037 63.980 62.100 -0.262 0.000 1.151 211 T CB -0.245 68.391 68.868 -0.386 0.000 0.862 211 T HN 0.314 nan 8.240 nan 0.000 0.438 212 S N 1.194 116.853 115.700 -0.067 0.000 2.368 212 S HA -0.035 4.435 4.470 0.001 0.000 0.225 212 S C 2.560 177.255 174.600 0.159 0.000 1.030 212 S CA 0.948 59.175 58.200 0.046 0.000 0.999 212 S CB -0.550 62.681 63.200 0.053 0.000 0.844 212 S HN 0.604 nan 8.310 nan 0.000 0.459 213 A N 1.404 124.315 122.820 0.152 0.000 1.933 213 A HA -0.042 4.279 4.320 0.001 0.000 0.218 213 A C 2.058 179.636 177.584 -0.011 0.000 1.175 213 A CA 1.135 53.201 52.037 0.048 0.000 0.628 213 A CB -0.673 18.259 19.000 -0.114 0.000 0.814 213 A HN 0.485 nan 8.150 nan 0.000 0.444 214 I N -0.364 120.174 120.570 -0.054 0.000 2.142 214 I HA -0.271 3.900 4.170 0.001 0.000 0.240 214 I C 3.036 179.062 176.117 -0.151 0.000 1.078 214 I CA 1.018 62.234 61.300 -0.140 0.000 1.343 214 I CB -0.502 37.346 38.000 -0.254 0.000 1.046 214 I HN 0.359 nan 8.210 nan 0.000 0.405 215 A N 0.418 123.168 122.820 -0.116 0.000 1.873 215 A HA -0.305 4.015 4.320 0.001 0.000 0.218 215 A C 2.264 179.850 177.584 0.004 0.000 1.193 215 A CA 2.039 54.048 52.037 -0.047 0.000 0.629 215 A CB -0.796 18.199 19.000 -0.009 0.000 0.826 215 A HN 0.514 nan 8.150 nan 0.000 0.447 216 Q N -2.134 117.691 119.800 0.042 0.000 2.083 216 Q HA -0.100 4.240 4.340 0.001 0.000 0.198 216 Q C 2.152 178.188 176.000 0.060 0.000 0.969 216 Q CA 1.457 57.305 55.803 0.076 0.000 0.838 216 Q CB -0.237 28.601 28.738 0.167 0.000 0.900 216 Q HN 0.643 nan 8.270 nan 0.000 0.436 217 M N 1.422 121.029 119.600 0.011 0.000 2.159 217 M HA -0.209 4.271 4.480 0.001 0.000 0.263 217 M C 1.870 178.164 176.300 -0.011 0.000 1.063 217 M CA 1.637 56.925 55.300 -0.021 0.000 1.110 217 M CB -0.196 32.292 32.600 -0.187 0.000 1.374 217 M HN 0.191 nan 8.290 nan 0.000 0.411 218 E N -0.283 119.894 120.200 -0.038 0.000 2.086 218 E HA -0.292 4.059 4.350 0.001 0.000 0.200 218 E C 1.456 177.944 176.600 -0.188 0.000 1.012 218 E CA 1.957 58.329 56.400 -0.045 0.000 0.812 218 E CB -0.189 29.545 29.700 0.057 0.000 0.743 218 E HN 0.605 nan 8.360 nan 0.000 0.453 219 N N -0.487 118.033 118.700 -0.301 0.000 2.300 219 N HA -0.121 4.620 4.740 0.001 0.000 0.179 219 N C 1.320 176.510 175.510 -0.533 0.000 1.016 219 N CA 1.016 53.577 53.050 -0.814 0.000 0.876 219 N CB -0.541 37.281 38.487 -1.109 0.000 0.979 219 N HN 0.366 nan 8.380 nan 0.000 0.432 220 W N 1.985 123.166 121.300 -0.199 0.000 2.379 220 W HA -0.002 4.659 4.660 0.001 0.000 0.307 220 W C 2.335 178.871 176.519 0.028 0.000 1.200 220 W CA 1.076 58.437 57.345 0.026 0.000 1.297 220 W CB -0.225 29.261 29.460 0.044 0.000 1.140 220 W HN -0.100 nan 8.180 nan 0.000 0.507 221 M N 0.790 120.477 119.600 0.145 0.000 2.080 221 M HA -0.175 4.305 4.480 0.001 0.000 0.260 221 M C 1.982 178.289 176.300 0.013 0.000 1.068 221 M CA 2.628 57.935 55.300 0.013 0.000 1.109 221 M CB -1.332 31.270 32.600 0.003 0.000 1.342 221 M HN 0.080 nan 8.290 nan 0.000 0.405 222 V N -2.265 117.608 119.914 -0.069 0.000 2.379 222 V HA -0.185 3.935 4.120 0.001 0.000 0.245 222 V C 2.093 178.212 176.094 0.042 0.000 1.044 222 V CA 1.213 63.497 62.300 -0.027 0.000 1.036 222 V CB -1.548 30.188 31.823 -0.146 0.000 0.664 222 V HN 0.492 nan 8.190 nan 0.000 0.453 223 W N 0.382 121.648 121.300 -0.057 0.000 2.418 223 W HA 0.105 4.766 4.660 0.001 0.000 0.292 223 W C 2.671 179.055 176.519 -0.225 0.000 1.213 223 W CA 0.927 58.206 57.345 -0.110 0.000 1.283 223 W CB -1.172 28.220 29.460 -0.113 0.000 1.119 223 W HN 0.187 nan 8.180 nan 0.000 0.542 224 V N 1.313 121.112 119.914 -0.192 0.000 2.490 224 V HA -0.302 3.818 4.120 0.001 0.000 0.250 224 V C 2.397 178.302 176.094 -0.315 0.000 1.061 224 V CA 2.149 64.196 62.300 -0.422 0.000 1.064 224 V CB -0.772 30.502 31.823 -0.914 0.000 0.670 224 V HN 0.274 nan 8.190 nan 0.000 0.461 225 N N 0.041 118.687 118.700 -0.090 0.000 2.135 225 N HA -0.181 4.559 4.740 0.001 0.000 0.186 225 N C 1.568 177.086 175.510 0.015 0.000 1.027 225 N CA 1.498 54.495 53.050 -0.088 0.000 0.849 225 N CB -0.155 38.490 38.487 0.264 0.000 1.002 225 N HN 0.415 nan 8.380 nan 0.000 0.425 226 D N 0.858 121.323 120.400 0.109 0.000 2.228 226 D HA -0.154 4.487 4.640 0.001 0.000 0.203 226 D C 1.885 178.289 176.300 0.173 0.000 0.988 226 D CA 0.503 54.605 54.000 0.169 0.000 0.864 226 D CB 0.101 41.025 40.800 0.206 0.000 0.928 226 D HN 0.272 nan 8.370 nan 0.000 0.469 227 L N 0.450 121.713 121.223 0.067 0.000 2.022 227 L HA -0.073 4.267 4.340 0.001 0.000 0.204 227 L C 2.279 179.302 176.870 0.254 0.000 1.076 227 L CA 1.221 56.111 54.840 0.083 0.000 0.749 227 L CB -0.534 41.465 42.059 -0.100 0.000 0.903 227 L HN -0.115 nan 8.230 nan 0.000 0.439 228 M N -1.256 118.365 119.600 0.036 0.000 2.144 228 M HA -0.208 4.272 4.480 0.001 0.000 0.260 228 M C 2.471 178.921 176.300 0.250 0.000 1.067 228 M CA 1.576 56.937 55.300 0.102 0.000 1.095 228 M CB -1.605 30.759 32.600 -0.392 0.000 1.365 228 M HN 0.310 nan 8.290 nan 0.000 0.406 229 S N 0.029 115.858 115.700 0.216 0.000 2.423 229 S HA -0.093 4.377 4.470 0.001 0.000 0.231 229 S C 1.610 176.408 174.600 0.330 0.000 1.014 229 S CA 0.496 58.905 58.200 0.349 0.000 0.965 229 S CB -0.408 62.981 63.200 0.315 0.000 0.785 229 S HN 0.409 nan 8.310 nan 0.000 0.495 230 F N 1.218 121.315 119.950 0.245 0.000 2.147 230 F HA -0.213 4.315 4.527 0.001 0.000 0.301 230 F C 1.906 177.883 175.800 0.296 0.000 1.084 230 F CA 1.733 59.904 58.000 0.284 0.000 1.268 230 F CB -0.582 38.618 39.000 0.333 0.000 1.009 230 F HN 0.383 nan 8.300 nan 0.000 0.486 231 Y N 1.740 122.064 120.300 0.040 0.000 2.242 231 Y HA -0.198 4.352 4.550 0.001 0.000 0.291 231 Y C 2.407 178.083 175.900 -0.374 0.000 1.137 231 Y CA 2.244 60.042 58.100 -0.504 0.000 1.181 231 Y CB -0.666 37.306 38.460 -0.813 0.000 0.989 231 Y HN 0.257 nan 8.280 nan 0.000 0.527 232 K N -0.118 120.082 120.400 -0.334 0.000 2.186 232 K HA -0.030 4.290 4.320 0.001 0.000 0.202 232 K C 1.017 177.471 176.600 -0.244 0.000 1.052 232 K CA 1.520 57.587 56.287 -0.366 0.000 0.965 232 K CB -0.325 32.075 32.500 -0.166 0.000 0.746 232 K HN 0.327 nan 8.250 nan 0.000 0.457 233 E N 0.112 120.230 120.200 -0.137 0.000 2.359 233 E HA -0.005 4.346 4.350 0.001 0.000 0.187 233 E C 0.507 177.005 176.600 -0.170 0.000 1.081 233 E CA -0.203 56.133 56.400 -0.108 0.000 0.929 233 E CB -0.064 29.629 29.700 -0.011 0.000 1.086 233 E HN 0.298 nan 8.360 nan 0.000 0.462 234 F N 1.242 120.950 119.950 -0.404 0.000 2.220 234 F HA 0.031 4.559 4.527 0.001 0.000 0.290 234 F C 1.254 176.906 175.800 -0.247 0.000 1.080 234 F CA 0.893 58.650 58.000 -0.405 0.000 1.318 234 F CB 0.649 39.394 39.000 -0.425 0.000 1.063 234 F HN -0.131 nan 8.300 nan 0.000 0.498 235 D N -0.038 120.274 120.400 -0.146 0.000 2.463 235 D HA 0.063 4.704 4.640 0.001 0.000 0.224 235 D C -0.729 175.477 176.300 -0.156 0.000 1.174 235 D CA 0.172 54.073 54.000 -0.165 0.000 0.829 235 D CB -0.331 40.434 40.800 -0.058 0.000 0.993 235 D HN 0.106 nan 8.370 nan 0.000 0.497 236 D N 0.694 120.996 120.400 -0.163 0.000 2.500 236 D HA 0.062 4.703 4.640 0.001 0.000 0.219 236 D C 0.981 177.215 176.300 -0.109 0.000 1.137 236 D CA -0.099 53.825 54.000 -0.126 0.000 0.946 236 D CB 0.394 41.124 40.800 -0.117 0.000 1.022 236 D HN 0.064 nan 8.370 nan 0.000 0.518 237 E N 1.395 121.535 120.200 -0.099 0.000 2.393 237 E HA -0.211 4.140 4.350 0.001 0.000 0.201 237 E C 1.559 178.121 176.600 -0.063 0.000 1.025 237 E CA 0.472 56.823 56.400 -0.082 0.000 0.856 237 E CB 0.341 29.999 29.700 -0.069 0.000 0.771 237 E HN 0.377 nan 8.360 nan 0.000 0.526 238 R N 0.976 121.439 120.500 -0.062 0.000 2.119 238 R HA -0.060 4.281 4.340 0.001 0.000 0.222 238 R C 0.316 176.590 176.300 -0.043 0.000 1.088 238 R CA 0.570 56.640 56.100 -0.049 0.000 0.984 238 R CB 0.249 30.518 30.300 -0.051 0.000 0.884 238 R HN -0.043 nan 8.270 nan 0.000 0.447 239 D N 0.229 120.599 120.400 -0.050 0.000 2.393 239 D HA 0.030 4.670 4.640 0.001 0.000 0.232 239 D C 0.331 176.612 176.300 -0.033 0.000 1.192 239 D CA 0.070 54.049 54.000 -0.036 0.000 0.882 239 D CB 1.127 41.902 40.800 -0.040 0.000 1.038 239 D HN 0.100 nan 8.370 nan 0.000 0.499 240 Q N 2.559 122.348 119.800 -0.018 0.000 2.287 240 Q HA 0.198 4.539 4.340 0.001 0.000 0.201 240 Q C 0.515 176.516 176.000 0.000 0.000 0.946 240 Q CA 0.402 56.197 55.803 -0.014 0.000 0.868 240 Q CB 0.337 29.070 28.738 -0.008 0.000 0.967 240 Q HN 0.637 nan 8.270 nan 0.000 0.516 241 I N -0.263 120.315 120.570 0.013 0.000 2.321 241 I HA 0.566 4.736 4.170 0.001 0.000 0.291 241 I C -0.577 175.555 176.117 0.025 0.000 0.998 241 I CA -0.691 60.623 61.300 0.024 0.000 1.227 241 I CB 1.493 39.523 38.000 0.049 0.000 1.368 241 I HN -0.081 nan 8.210 nan 0.000 0.466 242 S N 4.678 120.391 115.700 0.023 0.000 2.547 242 S HA 0.326 4.797 4.470 0.001 0.000 0.270 242 S C 0.195 174.790 174.600 -0.010 0.000 1.150 242 S CA -0.888 57.329 58.200 0.028 0.000 0.850 242 S CB 1.866 65.105 63.200 0.065 0.000 1.118 242 S HN 0.774 nan 8.310 nan 0.000 0.461 243 L N 2.358 123.556 121.223 -0.042 0.000 2.034 243 L HA -0.102 4.239 4.340 0.001 0.000 0.217 243 L C 2.260 178.985 176.870 -0.241 0.000 1.077 243 L CA 2.302 57.021 54.840 -0.202 0.000 0.769 243 L CB -0.822 41.166 42.059 -0.119 0.000 0.890 243 L HN 0.753 nan 8.230 nan 0.000 0.435 244 V N -0.497 119.436 119.914 0.032 0.000 2.307 244 V HA -0.282 3.838 4.120 0.001 0.000 0.245 244 V C 2.544 178.745 176.094 0.177 0.000 1.045 244 V CA 2.093 64.508 62.300 0.192 0.000 1.024 244 V CB -0.683 31.325 31.823 0.307 0.000 0.651 244 V HN 0.458 nan 8.190 nan 0.000 0.449 245 K N 0.209 120.683 120.400 0.122 0.000 2.211 245 K HA -0.115 4.205 4.320 0.001 0.000 0.203 245 K C 1.859 178.499 176.600 0.067 0.000 1.050 245 K CA 1.216 57.558 56.287 0.092 0.000 0.945 245 K CB -0.275 32.256 32.500 0.052 0.000 0.732 245 K HN 0.451 nan 8.250 nan 0.000 0.451 246 N N 0.183 118.901 118.700 0.030 0.000 2.354 246 N HA -0.093 4.647 4.740 0.001 0.000 0.179 246 N C 1.609 177.186 175.510 0.111 0.000 1.021 246 N CA 0.908 53.979 53.050 0.035 0.000 0.887 246 N CB -0.198 38.297 38.487 0.013 0.000 0.974 246 N HN 0.176 nan 8.380 nan 0.000 0.437 247 Y N 1.416 121.770 120.300 0.089 0.000 2.181 247 Y HA -0.071 4.479 4.550 0.001 0.000 0.288 247 Y C 2.451 178.392 175.900 0.068 0.000 1.146 247 Y CA 0.268 58.414 58.100 0.078 0.000 1.164 247 Y CB -0.790 37.699 38.460 0.049 0.000 0.982 247 Y HN -0.197 nan 8.280 nan 0.000 0.515 248 V N -1.086 118.968 119.914 0.234 0.000 2.255 248 V HA -0.287 3.833 4.120 0.001 0.000 0.247 248 V C 2.314 178.476 176.094 0.114 0.000 1.051 248 V CA 1.859 64.248 62.300 0.148 0.000 1.018 248 V CB -1.063 30.833 31.823 0.122 0.000 0.641 248 V HN 0.200 nan 8.190 nan 0.000 0.445 249 V N -0.489 119.477 119.914 0.088 0.000 2.427 249 V HA -0.183 3.937 4.120 0.001 0.000 0.248 249 V C 2.456 178.589 176.094 0.066 0.000 1.051 249 V CA 2.219 64.546 62.300 0.045 0.000 1.048 249 V CB -0.370 31.438 31.823 -0.025 0.000 0.666 249 V HN 0.522 nan 8.190 nan 0.000 0.456 250 S N -0.443 115.327 115.700 0.117 0.000 2.371 250 S HA -0.086 4.384 4.470 0.001 0.000 0.221 250 S C 1.572 176.345 174.600 0.287 0.000 1.036 250 S CA 0.918 59.224 58.200 0.176 0.000 0.965 250 S CB -0.183 63.158 63.200 0.236 0.000 0.845 250 S HN 0.572 nan 8.310 nan 0.000 0.475 251 D N 1.056 121.623 120.400 0.278 0.000 2.349 251 D HA 0.058 4.699 4.640 0.001 0.000 0.215 251 D C -0.215 176.164 176.300 0.132 0.000 1.016 251 D CA 0.232 54.354 54.000 0.203 0.000 0.870 251 D CB -0.110 40.707 40.800 0.028 0.000 0.917 251 D HN 0.458 nan 8.370 nan 0.000 0.524 252 E N 0.550 120.831 120.200 0.134 0.000 2.230 252 E HA -0.203 4.147 4.350 0.001 0.000 0.206 252 E C 0.155 176.794 176.600 0.064 0.000 1.309 252 E CA 0.200 56.657 56.400 0.096 0.000 0.697 252 E CB -1.912 27.849 29.700 0.102 0.000 1.146 252 E HN 0.544 nan 8.360 nan 0.000 0.363 253 I N -3.284 117.323 120.570 0.061 0.000 3.206 253 I HA 0.609 4.780 4.170 0.001 0.000 0.313 253 I C 0.597 176.753 176.117 0.066 0.000 1.103 253 I CA -1.123 60.203 61.300 0.043 0.000 0.985 253 I CB 1.910 39.915 38.000 0.008 0.000 1.240 253 I HN 0.038 nan 8.210 nan 0.000 0.464 254 S N 1.665 117.408 115.700 0.071 0.000 2.614 254 S HA 0.188 4.659 4.470 0.001 0.000 0.265 254 S C 0.809 175.486 174.600 0.128 0.000 1.303 254 S CA -0.615 57.644 58.200 0.099 0.000 1.000 254 S CB 1.471 64.737 63.200 0.111 0.000 0.935 254 S HN 0.783 nan 8.310 nan 0.000 0.551 255 L N 0.838 122.155 121.223 0.158 0.000 2.127 255 L HA -0.067 4.274 4.340 0.001 0.000 0.211 255 L C 2.205 179.204 176.870 0.216 0.000 1.089 255 L CA 2.236 57.198 54.840 0.203 0.000 0.757 255 L CB -1.450 40.748 42.059 0.233 0.000 0.899 255 L HN 1.020 nan 8.230 nan 0.000 0.434 256 H N -0.462 118.690 119.070 0.136 0.000 2.363 256 H HA -0.066 4.490 4.556 0.001 0.000 0.301 256 H C 2.097 177.469 175.328 0.073 0.000 1.074 256 H CA 1.974 58.096 56.048 0.122 0.000 1.354 256 H CB 0.161 29.988 29.762 0.109 0.000 1.397 256 H HN 0.490 nan 8.280 nan 0.000 0.516 257 E N -0.050 120.210 120.200 0.099 0.000 2.118 257 E HA -0.195 4.155 4.350 0.001 0.000 0.195 257 E C 2.325 178.876 176.600 -0.081 0.000 0.992 257 E CA 0.811 57.213 56.400 0.002 0.000 0.804 257 E CB -0.132 29.579 29.700 0.018 0.000 0.741 257 E HN 0.585 nan 8.360 nan 0.000 0.458 258 A N 1.467 124.269 122.820 -0.029 0.000 1.858 258 A HA -0.172 4.149 4.320 0.001 0.000 0.216 258 A C 2.210 179.748 177.584 -0.078 0.000 1.190 258 A CA 1.191 53.215 52.037 -0.022 0.000 0.617 258 A CB -0.697 18.393 19.000 0.150 0.000 0.827 258 A HN 0.244 nan 8.150 nan 0.000 0.443 259 L N 0.159 121.309 121.223 -0.123 0.000 2.127 259 L HA -0.180 4.161 4.340 0.001 0.000 0.211 259 L C 2.191 178.847 176.870 -0.356 0.000 1.089 259 L CA 2.673 57.309 54.840 -0.339 0.000 0.757 259 L CB -0.572 41.158 42.059 -0.547 0.000 0.899 259 L HN 0.628 nan 8.230 nan 0.000 0.434 260 E N -0.568 119.470 120.200 -0.269 0.000 2.047 260 E HA -0.279 4.071 4.350 0.001 0.000 0.191 260 E C 2.249 178.740 176.600 -0.181 0.000 0.987 260 E CA 1.225 57.533 56.400 -0.153 0.000 0.799 260 E CB -0.120 29.493 29.700 -0.144 0.000 0.752 260 E HN 0.524 nan 8.360 nan 0.000 0.449 261 K N 0.434 120.694 120.400 -0.234 0.000 1.991 261 K HA -0.224 4.096 4.320 0.001 0.000 0.212 261 K C 2.351 178.750 176.600 -0.336 0.000 1.049 261 K CA 1.542 57.643 56.287 -0.311 0.000 0.932 261 K CB -0.328 31.880 32.500 -0.487 0.000 0.717 261 K HN 0.146 nan 8.250 nan 0.000 0.441 262 L N 1.543 122.592 121.223 -0.290 0.000 1.990 262 L HA -0.204 4.137 4.340 0.001 0.000 0.213 262 L C 2.067 178.719 176.870 -0.363 0.000 1.072 262 L CA 2.329 56.977 54.840 -0.319 0.000 0.755 262 L CB -1.228 40.735 42.059 -0.160 0.000 0.889 262 L HN 0.242 nan 8.230 nan 0.000 0.432 263 T N -0.381 113.992 114.554 -0.302 0.000 2.737 263 T HA -0.214 4.137 4.350 0.001 0.000 0.269 263 T C 1.844 176.421 174.700 -0.205 0.000 1.040 263 T CA 1.666 63.610 62.100 -0.260 0.000 1.142 263 T CB -0.214 68.511 68.868 -0.238 0.000 0.861 263 T HN 0.447 nan 8.240 nan 0.000 0.456 264 Q N 0.833 120.511 119.800 -0.204 0.000 2.083 264 Q HA -0.069 4.272 4.340 0.001 0.000 0.198 264 Q C 2.127 178.016 176.000 -0.184 0.000 0.969 264 Q CA 1.202 56.907 55.803 -0.163 0.000 0.838 264 Q CB -0.470 28.181 28.738 -0.146 0.000 0.900 264 Q HN 0.550 nan 8.270 nan 0.000 0.436 265 D N -0.014 120.163 120.400 -0.371 0.000 2.117 265 D HA -0.094 4.547 4.640 0.001 0.000 0.198 265 D C 1.874 177.966 176.300 -0.348 0.000 0.982 265 D CA 1.503 55.161 54.000 -0.570 0.000 0.828 265 D CB -0.387 39.528 40.800 -1.475 0.000 0.967 265 D HN 0.192 nan 8.370 nan 0.000 0.464 266 T N 1.405 115.766 114.554 -0.321 0.000 2.652 266 T HA -0.104 4.246 4.350 0.001 0.000 0.267 266 T C 2.237 176.927 174.700 -0.018 0.000 1.039 266 T CA 0.723 62.776 62.100 -0.079 0.000 1.153 266 T CB -0.450 68.324 68.868 -0.156 0.000 0.863 266 T HN 0.112 nan 8.240 nan 0.000 0.428 267 L N 0.052 121.207 121.223 -0.113 0.000 2.083 267 L HA -0.137 4.203 4.340 0.001 0.000 0.209 267 L C 2.698 179.430 176.870 -0.231 0.000 1.083 267 L CA 1.331 56.025 54.840 -0.242 0.000 0.752 267 L CB -0.557 41.341 42.059 -0.269 0.000 0.899 267 L HN 0.330 nan 8.230 nan 0.000 0.433 268 H N -0.624 118.341 119.070 -0.176 0.000 2.326 268 H HA -0.133 4.424 4.556 0.001 0.000 0.301 268 H C 2.481 177.841 175.328 0.052 0.000 1.081 268 H CA 1.587 57.584 56.048 -0.084 0.000 1.334 268 H CB -0.070 29.661 29.762 -0.051 0.000 1.385 268 H HN 0.132 nan 8.280 nan 0.000 0.504 269 S N -0.679 115.135 115.700 0.189 0.000 2.383 269 S HA -0.158 4.312 4.470 0.001 0.000 0.229 269 S C 2.323 177.127 174.600 0.339 0.000 1.030 269 S CA 1.493 59.870 58.200 0.294 0.000 1.002 269 S CB -0.285 63.252 63.200 0.563 0.000 0.829 269 S HN 0.529 nan 8.310 nan 0.000 0.467 270 S N 1.264 117.183 115.700 0.364 0.000 2.344 270 S HA -0.115 4.356 4.470 0.001 0.000 0.217 270 S C 1.864 176.576 174.600 0.187 0.000 1.033 270 S CA 1.509 59.893 58.200 0.307 0.000 1.017 270 S CB -0.528 62.848 63.200 0.293 0.000 0.941 270 S HN 0.636 nan 8.310 nan 0.000 0.430 271 K N 0.867 121.336 120.400 0.115 0.000 2.034 271 K HA -0.221 4.100 4.320 0.001 0.000 0.214 271 K C 2.131 178.862 176.600 0.217 0.000 1.051 271 K CA 1.600 58.047 56.287 0.266 0.000 0.931 271 K CB -0.164 32.494 32.500 0.263 0.000 0.715 271 K HN 0.206 nan 8.250 nan 0.000 0.446 272 Q N -0.182 119.736 119.800 0.196 0.000 2.224 272 Q HA -0.136 4.205 4.340 0.001 0.000 0.203 272 Q C 2.022 178.083 176.000 0.102 0.000 0.970 272 Q CA 0.844 56.727 55.803 0.133 0.000 0.865 272 Q CB -0.227 28.567 28.738 0.094 0.000 0.922 272 Q HN 0.391 nan 8.270 nan 0.000 0.445 273 M N 0.105 119.779 119.600 0.124 0.000 2.080 273 M HA -0.121 4.360 4.480 0.001 0.000 0.260 273 M C 2.097 178.502 176.300 0.175 0.000 1.068 273 M CA 1.154 56.533 55.300 0.132 0.000 1.109 273 M CB -0.627 31.944 32.600 -0.050 0.000 1.342 273 M HN 0.002 nan 8.290 nan 0.000 0.405 274 V N -0.063 119.926 119.914 0.125 0.000 2.283 274 V HA -0.164 3.956 4.120 0.001 0.000 0.243 274 V C 2.568 178.718 176.094 0.095 0.000 1.039 274 V CA 1.559 63.933 62.300 0.123 0.000 1.016 274 V CB -1.548 30.355 31.823 0.135 0.000 0.650 274 V HN 0.525 nan 8.190 nan 0.000 0.449 275 A N -0.134 122.736 122.820 0.084 0.000 1.997 275 A HA -0.196 4.124 4.320 0.001 0.000 0.221 275 A C 2.352 179.918 177.584 -0.030 0.000 1.172 275 A CA 2.423 54.486 52.037 0.043 0.000 0.645 275 A CB -0.637 18.398 19.000 0.059 0.000 0.813 275 A HN 0.369 nan 8.150 nan 0.000 0.454 276 V N -2.239 117.612 119.914 -0.104 0.000 2.379 276 V HA -0.077 4.043 4.120 0.001 0.000 0.243 276 V C 1.994 177.837 176.094 -0.419 0.000 1.035 276 V CA 1.620 63.717 62.300 -0.338 0.000 1.035 276 V CB -0.739 30.714 31.823 -0.617 0.000 0.673 276 V HN 0.553 nan 8.190 nan 0.000 0.457 277 F N 0.044 119.990 119.950 -0.007 0.000 2.754 277 F HA 0.114 4.642 4.527 0.001 0.000 0.297 277 F C 2.432 178.234 175.800 0.003 0.000 1.122 277 F CA 0.398 58.393 58.000 -0.009 0.000 1.400 277 F CB -0.583 38.407 39.000 -0.016 0.000 1.117 277 F HN -0.032 nan 8.300 nan 0.000 0.587 278 S N 0.261 116.043 115.700 0.136 0.000 2.365 278 S HA -0.223 4.247 4.470 0.001 0.000 0.225 278 S C 1.671 176.315 174.600 0.074 0.000 1.039 278 S CA 1.848 60.105 58.200 0.095 0.000 1.033 278 S CB -0.496 62.746 63.200 0.069 0.000 0.887 278 S HN 0.578 nan 8.310 nan 0.000 0.447 279 D N 0.087 120.515 120.400 0.048 0.000 2.328 279 D HA 0.140 4.780 4.640 0.001 0.000 0.221 279 D C 0.512 176.835 176.300 0.039 0.000 1.072 279 D CA 0.155 54.175 54.000 0.034 0.000 0.850 279 D CB 0.201 41.009 40.800 0.013 0.000 0.922 279 D HN 0.122 nan 8.370 nan 0.000 0.516 280 K N 0.895 121.337 120.400 0.070 0.000 2.520 280 K HA 0.123 4.443 4.320 0.001 0.000 0.256 280 K C 0.101 176.759 176.600 0.096 0.000 1.033 280 K CA -0.755 55.581 56.287 0.082 0.000 1.007 280 K CB 0.252 32.835 32.500 0.139 0.000 1.330 280 K HN -0.155 nan 8.250 nan 0.000 0.507 281 D N 0.893 121.351 120.400 0.098 0.000 2.586 281 D HA -0.072 4.569 4.640 0.001 0.000 0.234 281 D C -1.715 174.653 176.300 0.113 0.000 1.132 281 D CA -0.755 53.301 54.000 0.093 0.000 0.860 281 D CB 0.782 41.642 40.800 0.101 0.000 1.159 281 D HN 0.093 nan 8.370 nan 0.000 0.490 282 P HA -0.177 nan 4.420 nan 0.000 0.215 282 P C 1.369 178.731 177.300 0.104 0.000 1.157 282 P CA 1.261 64.407 63.100 0.077 0.000 0.874 282 P CB 0.163 31.891 31.700 0.047 0.000 0.790 283 Q N -0.587 119.284 119.800 0.118 0.000 2.124 283 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 283 Q C 1.984 178.219 176.000 0.392 0.000 0.977 283 Q CA 1.385 57.294 55.803 0.176 0.000 0.850 283 Q CB -0.472 28.297 28.738 0.051 0.000 0.901 283 Q HN 0.072 nan 8.270 nan 0.000 0.429 284 V N 0.743 120.899 119.914 0.404 0.000 2.223 284 V HA -0.313 3.807 4.120 0.001 0.000 0.244 284 V C 2.312 178.535 176.094 0.215 0.000 1.045 284 V CA 1.971 64.508 62.300 0.395 0.000 1.000 284 V CB -0.595 31.316 31.823 0.148 0.000 0.635 284 V HN 0.464 nan 8.190 nan 0.000 0.445 285 M N 0.867 120.551 119.600 0.140 0.000 2.195 285 M HA -0.222 4.259 4.480 0.001 0.000 0.260 285 M C 1.605 177.915 176.300 0.016 0.000 1.066 285 M CA 2.218 57.562 55.300 0.073 0.000 1.089 285 M CB -0.802 31.864 32.600 0.110 0.000 1.377 285 M HN 0.423 nan 8.290 nan 0.000 0.411 286 D N -1.221 119.212 120.400 0.056 0.000 2.097 286 D HA -0.115 4.525 4.640 0.001 0.000 0.197 286 D C 1.634 177.911 176.300 -0.038 0.000 0.984 286 D CA 1.854 55.862 54.000 0.013 0.000 0.826 286 D CB -0.163 40.663 40.800 0.043 0.000 0.973 286 D HN 0.427 nan 8.370 nan 0.000 0.460 287 T N 0.110 114.662 114.554 -0.003 0.000 2.788 287 T HA -0.071 4.280 4.350 0.001 0.000 0.268 287 T C 2.053 176.585 174.700 -0.280 0.000 1.044 287 T CA 0.749 62.750 62.100 -0.166 0.000 1.139 287 T CB -0.140 68.534 68.868 -0.324 0.000 0.867 287 T HN 0.190 nan 8.240 nan 0.000 0.454 288 I N 0.618 121.041 120.570 -0.244 0.000 2.163 288 I HA -0.133 4.037 4.170 0.001 0.000 0.240 288 I C 2.721 178.663 176.117 -0.292 0.000 1.081 288 I CA 1.357 62.472 61.300 -0.308 0.000 1.353 288 I CB -0.346 37.436 38.000 -0.364 0.000 1.054 288 I HN 0.243 nan 8.210 nan 0.000 0.407 289 E N 0.510 120.551 120.200 -0.264 0.000 2.058 289 E HA -0.254 4.097 4.350 0.001 0.000 0.194 289 E C 2.325 178.640 176.600 -0.474 0.000 0.997 289 E CA 1.938 58.109 56.400 -0.382 0.000 0.801 289 E CB -0.149 29.407 29.700 -0.240 0.000 0.746 289 E HN 0.457 nan 8.360 nan 0.000 0.450 290 C N -0.247 118.898 119.300 -0.259 0.000 2.453 290 C HA -0.082 4.379 4.460 0.001 0.000 0.277 290 C C 2.404 177.313 174.990 -0.134 0.000 1.262 290 C CA 0.774 59.691 59.018 -0.169 0.000 1.718 290 C CB -1.262 26.395 27.740 -0.138 0.000 2.031 290 C HN 0.605 nan 8.230 nan 0.000 0.480 291 F N 1.186 120.951 119.950 -0.307 0.000 2.120 291 F HA -0.221 4.306 4.527 0.001 0.000 0.300 291 F C 2.268 178.000 175.800 -0.113 0.000 1.095 291 F CA 1.884 59.696 58.000 -0.314 0.000 1.249 291 F CB -0.470 38.199 39.000 -0.551 0.000 0.995 291 F HN 0.162 nan 8.300 nan 0.000 0.480 292 M N -0.595 118.860 119.600 -0.242 0.000 2.067 292 M HA -0.253 4.228 4.480 0.001 0.000 0.260 292 M C 2.315 178.737 176.300 0.203 0.000 1.069 292 M CA 2.287 57.462 55.300 -0.208 0.000 1.117 292 M CB -1.078 31.160 32.600 -0.603 0.000 1.334 292 M HN 0.283 nan 8.290 nan 0.000 0.407 293 H N -0.958 118.183 119.070 0.120 0.000 2.321 293 H HA -0.093 4.464 4.556 0.001 0.000 0.300 293 H C 2.258 177.771 175.328 0.307 0.000 1.087 293 H CA 0.820 57.053 56.048 0.308 0.000 1.319 293 H CB -0.372 29.491 29.762 0.169 0.000 1.379 293 H HN 0.501 nan 8.280 nan 0.000 0.501 294 G N 0.228 109.191 108.800 0.272 0.000 2.446 294 G HA2 -0.349 3.612 3.960 0.001 0.000 0.217 294 G HA3 -0.349 3.612 3.960 0.001 0.000 0.217 294 G C 1.489 176.575 174.900 0.310 0.000 1.168 294 G CA 0.939 46.196 45.100 0.263 0.000 0.771 294 G HN 0.398 nan 8.290 nan 0.000 0.551 295 Y N 1.208 121.486 120.300 -0.037 0.000 2.165 295 Y HA -0.158 4.392 4.550 0.001 0.000 0.286 295 Y C 2.916 179.007 175.900 0.319 0.000 1.155 295 Y CA 1.598 59.718 58.100 0.033 0.000 1.164 295 Y CB -0.318 37.942 38.460 -0.333 0.000 0.978 295 Y HN 0.054 nan 8.280 nan 0.000 0.513 296 V N -1.049 119.046 119.914 0.302 0.000 2.453 296 V HA -0.274 3.847 4.120 0.001 0.000 0.247 296 V C 2.225 178.351 176.094 0.054 0.000 1.048 296 V CA 2.224 64.567 62.300 0.073 0.000 1.049 296 V CB -1.098 30.682 31.823 -0.071 0.000 0.672 296 V HN 0.421 nan 8.190 nan 0.000 0.457 297 T N -0.912 113.789 114.554 0.245 0.000 2.684 297 T HA -0.270 4.080 4.350 0.001 0.000 0.267 297 T C 1.460 176.311 174.700 0.252 0.000 1.036 297 T CA 2.068 64.341 62.100 0.289 0.000 1.148 297 T CB -0.400 68.717 68.868 0.415 0.000 0.863 297 T HN 0.716 nan 8.240 nan 0.000 0.436 298 W N 2.042 123.398 121.300 0.093 0.000 2.358 298 W HA -0.147 4.513 4.660 0.001 0.000 0.303 298 W C 2.229 178.646 176.519 -0.169 0.000 1.208 298 W CA 1.087 58.383 57.345 -0.081 0.000 1.274 298 W CB -0.776 28.579 29.460 -0.176 0.000 1.138 298 W HN 0.404 nan 8.180 nan 0.000 0.515 299 H N -0.213 118.557 119.070 -0.500 0.000 2.387 299 H HA -0.127 4.430 4.556 0.001 0.000 0.299 299 H C 2.254 177.349 175.328 -0.389 0.000 1.090 299 H CA 2.102 57.672 56.048 -0.796 0.000 1.332 299 H CB -0.577 28.709 29.762 -0.793 0.000 1.386 299 H HN 0.231 nan 8.280 nan 0.000 0.516 300 L N -0.596 120.542 121.223 -0.142 0.000 2.291 300 L HA -0.130 4.211 4.340 0.001 0.000 0.214 300 L C 2.453 179.188 176.870 -0.226 0.000 1.120 300 L CA 0.460 55.198 54.840 -0.170 0.000 0.799 300 L CB 0.066 41.961 42.059 -0.273 0.000 0.925 300 L HN 0.283 nan 8.230 nan 0.000 0.446 301 C N -1.745 117.465 119.300 -0.150 0.000 2.513 301 C HA 0.042 4.502 4.460 0.001 0.000 0.292 301 C C 1.204 176.171 174.990 -0.038 0.000 1.359 301 C CA -0.655 58.314 59.018 -0.082 0.000 1.778 301 C CB -0.202 27.562 27.740 0.040 0.000 2.180 301 C HN 0.346 nan 8.230 nan 0.000 0.509 302 D N 1.496 121.825 120.400 -0.118 0.000 2.412 302 D HA -0.014 4.626 4.640 0.001 0.000 0.257 302 D C 1.039 177.315 176.300 -0.039 0.000 1.217 302 D CA 0.178 54.127 54.000 -0.085 0.000 0.897 302 D CB 0.583 41.212 40.800 -0.286 0.000 1.132 302 D HN 0.248 nan 8.370 nan 0.000 0.493 303 R N 4.001 124.498 120.500 -0.004 0.000 2.185 303 R HA -0.202 4.139 4.340 0.001 0.000 0.247 303 R C 1.984 178.243 176.300 -0.069 0.000 1.159 303 R CA 0.598 56.698 56.100 0.000 0.000 0.988 303 R CB -0.647 29.660 30.300 0.012 0.000 0.871 303 R HN 0.592 nan 8.270 nan 0.000 0.458 304 R N 0.680 121.073 120.500 -0.178 0.000 2.162 304 R HA -0.222 4.119 4.340 0.001 0.000 0.245 304 R C 1.382 177.409 176.300 -0.454 0.000 1.129 304 R CA 2.141 58.008 56.100 -0.388 0.000 0.940 304 R CB -0.397 29.506 30.300 -0.661 0.000 0.875 304 R HN 0.270 nan 8.270 nan 0.000 0.437 305 Y N 0.702 120.936 120.300 -0.110 0.000 2.553 305 Y HA 0.125 4.676 4.550 0.001 0.000 0.303 305 Y C 0.451 176.383 175.900 0.053 0.000 1.194 305 Y CA 0.382 58.458 58.100 -0.041 0.000 1.305 305 Y CB -0.203 38.227 38.460 -0.049 0.000 1.045 305 Y HN 0.121 nan 8.280 nan 0.000 0.514 306 R N -0.011 120.551 120.500 0.104 0.000 3.314 306 R HA -0.259 4.081 4.340 0.001 0.000 0.243 306 R C 0.651 177.123 176.300 0.287 0.000 0.954 306 R CA 0.555 56.752 56.100 0.161 0.000 0.645 306 R CB -2.135 28.227 30.300 0.102 0.000 1.022 306 R HN 0.504 nan 8.270 nan 0.000 0.468 307 L N -0.035 121.353 121.223 0.276 0.000 2.376 307 L HA -0.121 4.219 4.340 0.001 0.000 0.219 307 L C 2.483 179.558 176.870 0.342 0.000 1.133 307 L CA 1.484 56.496 54.840 0.286 0.000 0.816 307 L CB -0.295 41.972 42.059 0.346 0.000 0.933 307 L HN 0.456 nan 8.230 nan 0.000 0.449 308 S N -0.633 115.272 115.700 0.342 0.000 2.442 308 S HA -0.209 4.261 4.470 0.001 0.000 0.236 308 S C 1.608 176.319 174.600 0.185 0.000 1.007 308 S CA 1.087 59.478 58.200 0.320 0.000 0.965 308 S CB -0.215 63.145 63.200 0.266 0.000 0.773 308 S HN 0.506 nan 8.310 nan 0.000 0.504 309 E N 1.080 121.358 120.200 0.129 0.000 2.072 309 E HA 0.019 4.370 4.350 0.001 0.000 0.191 309 E C 1.975 178.532 176.600 -0.072 0.000 0.985 309 E CA 1.362 57.792 56.400 0.051 0.000 0.801 309 E CB -0.307 29.472 29.700 0.133 0.000 0.750 309 E HN 0.573 nan 8.360 nan 0.000 0.452 310 I N 0.380 120.816 120.570 -0.223 0.000 2.394 310 I HA -0.259 3.912 4.170 0.001 0.000 0.251 310 I C 2.266 178.391 176.117 0.014 0.000 1.136 310 I CA 0.811 61.962 61.300 -0.249 0.000 1.425 310 I CB -0.198 37.572 38.000 -0.382 0.000 1.079 310 I HN 0.166 nan 8.210 nan 0.000 0.425 311 Y N 2.299 122.614 120.300 0.024 0.000 2.060 311 Y HA -0.297 4.254 4.550 0.001 0.000 0.276 311 Y C 2.593 178.447 175.900 -0.077 0.000 1.127 311 Y CA 1.739 59.821 58.100 -0.029 0.000 1.104 311 Y CB -0.370 37.737 38.460 -0.589 0.000 0.983 311 Y HN 0.073 nan 8.280 nan 0.000 0.483 312 E N 0.651 120.780 120.200 -0.118 0.000 2.065 312 E HA -0.333 4.017 4.350 0.001 0.000 0.201 312 E C 2.162 178.659 176.600 -0.172 0.000 1.016 312 E CA 1.998 58.295 56.400 -0.172 0.000 0.818 312 E CB -0.610 29.080 29.700 -0.017 0.000 0.749 312 E HN 0.513 nan 8.360 nan 0.000 0.453 313 K N 0.668 121.005 120.400 -0.104 0.000 2.281 313 K HA -0.117 4.204 4.320 0.001 0.000 0.203 313 K C 1.751 178.293 176.600 -0.097 0.000 1.046 313 K CA 1.090 57.327 56.287 -0.083 0.000 0.938 313 K CB 0.222 32.682 32.500 -0.065 0.000 0.737 313 K HN -0.037 nan 8.250 nan 0.000 0.458 314 V N 0.961 120.795 119.914 -0.133 0.000 3.570 314 V HA -0.059 4.061 4.120 0.001 0.000 0.257 314 V C 1.599 177.596 176.094 -0.162 0.000 1.272 314 V CA 0.739 62.975 62.300 -0.107 0.000 1.079 314 V CB 0.421 32.217 31.823 -0.045 0.000 0.829 314 V HN 0.396 nan 8.190 nan 0.000 0.454 315 K N 1.664 121.850 120.400 -0.357 0.000 2.304 315 K HA -0.250 4.070 4.320 0.001 0.000 0.204 315 K C 1.317 177.800 176.600 -0.195 0.000 1.044 315 K CA 2.247 58.279 56.287 -0.425 0.000 0.932 315 K CB -0.076 31.984 32.500 -0.734 0.000 0.735 315 K HN 0.522 nan 8.250 nan 0.000 0.468 316 E N 1.161 121.280 120.200 -0.135 0.000 2.723 316 E HA 0.092 4.443 4.350 0.001 0.000 0.219 316 E C -1.180 175.391 176.600 -0.049 0.000 1.060 316 E CA -0.253 56.102 56.400 -0.076 0.000 1.291 316 E CB 0.440 30.101 29.700 -0.065 0.000 1.265 316 E HN 0.295 nan 8.360 nan 0.000 0.438 317 E N 0.774 120.949 120.200 -0.040 0.000 2.199 317 E HA 0.231 4.582 4.350 0.001 0.000 0.265 317 E C -0.567 176.030 176.600 -0.005 0.000 0.882 317 E CA -0.592 55.797 56.400 -0.019 0.000 0.759 317 E CB 1.627 31.319 29.700 -0.014 0.000 1.148 317 E HN 0.040 nan 8.360 nan 0.000 0.412 318 K N 1.960 122.359 120.400 -0.002 0.000 3.226 318 K HA 0.148 4.468 4.320 0.001 0.000 0.268 318 K C -0.243 176.363 176.600 0.010 0.000 1.217 318 K CA 0.060 56.349 56.287 0.004 0.000 1.242 318 K CB 0.164 32.665 32.500 0.001 0.000 1.389 318 K HN 0.331 nan 8.250 nan 0.000 0.406 319 T N 0.799 115.363 114.554 0.017 0.000 2.918 319 T HA 0.004 4.354 4.350 0.001 0.000 0.283 319 T C 1.395 176.116 174.700 0.034 0.000 1.001 319 T CA -0.522 61.592 62.100 0.024 0.000 1.041 319 T CB 1.676 70.560 68.868 0.027 0.000 1.028 319 T HN 0.341 nan 8.240 nan 0.000 0.511 320 E N 1.514 121.735 120.200 0.034 0.000 2.031 320 E HA -0.177 4.173 4.350 0.001 0.000 0.193 320 E C 1.245 177.885 176.600 0.065 0.000 0.994 320 E CA 1.895 58.319 56.400 0.041 0.000 0.800 320 E CB -0.144 29.577 29.700 0.036 0.000 0.752 320 E HN 0.598 nan 8.360 nan 0.000 0.447 321 D N 0.470 120.916 120.400 0.076 0.000 2.092 321 D HA -0.128 4.512 4.640 0.001 0.000 0.203 321 D C 1.993 178.384 176.300 0.153 0.000 0.978 321 D CA 1.641 55.709 54.000 0.114 0.000 0.861 321 D CB -0.993 39.859 40.800 0.088 0.000 1.005 321 D HN 0.324 nan 8.370 nan 0.000 0.450 322 A N 1.261 124.150 122.820 0.115 0.000 1.920 322 A HA -0.382 3.939 4.320 0.001 0.000 0.229 322 A C 2.115 179.814 177.584 0.192 0.000 1.516 322 A CA 2.956 55.073 52.037 0.134 0.000 0.714 322 A CB -1.286 17.750 19.000 0.059 0.000 0.845 322 A HN 0.391 nan 8.150 nan 0.000 0.493 323 Q N -1.880 117.990 119.800 0.117 0.000 2.119 323 Q HA -0.121 4.220 4.340 0.001 0.000 0.201 323 Q C 2.239 178.296 176.000 0.096 0.000 0.972 323 Q CA 1.182 57.039 55.803 0.091 0.000 0.847 323 Q CB -0.141 28.622 28.738 0.042 0.000 0.903 323 Q HN 0.478 nan 8.270 nan 0.000 0.433 324 K N 0.497 120.960 120.400 0.105 0.000 2.097 324 K HA -0.133 4.188 4.320 0.001 0.000 0.206 324 K C 1.737 178.430 176.600 0.154 0.000 1.049 324 K CA 0.963 57.282 56.287 0.054 0.000 0.933 324 K CB -0.280 32.279 32.500 0.100 0.000 0.717 324 K HN 0.159 nan 8.250 nan 0.000 0.442 325 F N 0.983 121.040 119.950 0.178 0.000 2.039 325 F HA -0.221 4.307 4.527 0.001 0.000 0.294 325 F C 2.311 178.313 175.800 0.337 0.000 1.130 325 F CA 1.443 59.625 58.000 0.303 0.000 1.189 325 F CB -0.807 38.331 39.000 0.230 0.000 0.983 325 F HN -0.019 nan 8.300 nan 0.000 0.471 326 C N 1.451 120.907 119.300 0.259 0.000 2.398 326 C HA -0.230 4.230 4.460 0.001 0.000 0.279 326 C C 2.699 177.817 174.990 0.212 0.000 1.250 326 C CA 1.571 60.756 59.018 0.279 0.000 1.786 326 C CB -1.376 26.509 27.740 0.241 0.000 2.018 326 C HN 0.495 nan 8.230 nan 0.000 0.494 327 K N -0.593 119.858 120.400 0.085 0.000 2.076 327 K HA -0.027 4.294 4.320 0.001 0.000 0.204 327 K C 1.749 178.383 176.600 0.056 0.000 1.051 327 K CA 1.096 57.398 56.287 0.025 0.000 0.949 327 K CB -0.323 32.119 32.500 -0.097 0.000 0.726 327 K HN 0.343 nan 8.250 nan 0.000 0.443 328 F N 0.517 120.488 119.950 0.034 0.000 2.095 328 F HA -0.238 4.290 4.527 0.001 0.000 0.298 328 F C 2.419 178.223 175.800 0.007 0.000 1.104 328 F CA 1.074 59.111 58.000 0.062 0.000 1.232 328 F CB -0.918 38.077 39.000 -0.008 0.000 0.987 328 F HN 0.051 nan 8.300 nan 0.000 0.475 329 Y N 1.139 121.370 120.300 -0.116 0.000 2.128 329 Y HA -0.266 4.284 4.550 0.001 0.000 0.284 329 Y C 2.321 178.110 175.900 -0.186 0.000 1.154 329 Y CA 2.098 60.032 58.100 -0.277 0.000 1.149 329 Y CB -0.757 37.373 38.460 -0.551 0.000 0.976 329 Y HN 0.183 nan 8.280 nan 0.000 0.505 330 E N -0.258 120.053 120.200 0.184 0.000 2.085 330 E HA -0.308 4.043 4.350 0.001 0.000 0.194 330 E C 2.192 178.833 176.600 0.068 0.000 0.994 330 E CA 1.737 58.209 56.400 0.120 0.000 0.801 330 E CB -0.223 29.548 29.700 0.119 0.000 0.743 330 E HN 0.657 nan 8.360 nan 0.000 0.453 331 Q N 0.201 120.058 119.800 0.096 0.000 2.061 331 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 331 Q C 2.325 178.363 176.000 0.063 0.000 0.984 331 Q CA 1.479 57.332 55.803 0.084 0.000 0.846 331 Q CB -0.289 28.536 28.738 0.144 0.000 0.902 331 Q HN 0.276 nan 8.270 nan 0.000 0.421 332 A N 1.349 124.224 122.820 0.092 0.000 1.873 332 A HA -0.226 4.095 4.320 0.001 0.000 0.218 332 A C 2.365 179.936 177.584 -0.022 0.000 1.193 332 A CA 1.962 54.032 52.037 0.056 0.000 0.629 332 A CB -1.114 17.863 19.000 -0.040 0.000 0.826 332 A HN 0.434 nan 8.150 nan 0.000 0.447 333 A N 0.531 123.285 122.820 -0.109 0.000 1.865 333 A HA -0.247 4.074 4.320 0.001 0.000 0.217 333 A C 1.793 179.379 177.584 0.003 0.000 1.191 333 A CA 1.873 53.872 52.037 -0.063 0.000 0.623 333 A CB -0.843 18.129 19.000 -0.047 0.000 0.826 333 A HN 0.612 nan 8.150 nan 0.000 0.444 334 N N -0.513 118.192 118.700 0.009 0.000 2.430 334 N HA -0.105 4.636 4.740 0.001 0.000 0.186 334 N C 1.288 176.795 175.510 -0.005 0.000 1.032 334 N CA 1.524 54.580 53.050 0.011 0.000 0.893 334 N CB -0.089 38.405 38.487 0.012 0.000 0.957 334 N HN 0.385 nan 8.380 nan 0.000 0.442 335 V N -1.232 118.672 119.914 -0.015 0.000 3.473 335 V HA 0.321 4.442 4.120 0.001 0.000 0.253 335 V C 1.559 177.608 176.094 -0.075 0.000 1.340 335 V CA 0.872 63.138 62.300 -0.057 0.000 1.103 335 V CB 0.570 32.346 31.823 -0.079 0.000 0.881 335 V HN 0.234 nan 8.190 nan 0.000 0.451 336 G N -0.078 108.733 108.800 0.019 0.000 2.850 336 G HA2 0.388 4.348 3.960 0.001 0.000 0.211 336 G HA3 0.388 4.348 3.960 0.001 0.000 0.211 336 G C 0.670 175.722 174.900 0.253 0.000 1.124 336 G CA 0.656 45.869 45.100 0.187 0.000 0.769 336 G HN 0.656 nan 8.290 nan 0.000 0.535 337 A N 0.797 123.690 122.820 0.123 0.000 2.395 337 A HA 0.605 4.925 4.320 0.001 0.000 0.286 337 A C -0.692 176.974 177.584 0.137 0.000 1.193 337 A CA 0.025 52.131 52.037 0.114 0.000 0.852 337 A CB 0.378 19.416 19.000 0.064 0.000 1.118 337 A HN 0.327 nan 8.150 nan 0.000 0.524 338 V N 2.254 122.282 119.914 0.190 0.000 2.808 338 V HA 0.366 4.487 4.120 0.001 0.000 0.308 338 V C 0.383 176.644 176.094 0.277 0.000 1.099 338 V CA -0.701 61.732 62.300 0.221 0.000 0.920 338 V CB 2.039 34.010 31.823 0.246 0.000 1.014 338 V HN 0.897 nan 8.190 nan 0.000 0.425 339 S N 4.575 120.406 115.700 0.219 0.000 2.510 339 S HA 0.265 4.736 4.470 0.001 0.000 0.279 339 S C -1.366 173.341 174.600 0.179 0.000 1.284 339 S CA -0.897 57.402 58.200 0.165 0.000 1.059 339 S CB 1.227 64.482 63.200 0.091 0.000 0.901 339 S HN 0.608 nan 8.310 nan 0.000 0.491 340 P HA -0.159 nan 4.420 nan 0.000 0.217 340 P C 1.634 178.682 177.300 -0.420 0.000 1.151 340 P CA 1.534 64.419 63.100 -0.359 0.000 0.849 340 P CB -0.114 31.401 31.700 -0.310 0.000 0.787 341 S N -0.541 115.064 115.700 -0.159 0.000 2.462 341 S HA -0.226 4.245 4.470 0.001 0.000 0.243 341 S C 1.629 176.225 174.600 -0.007 0.000 1.003 341 S CA 1.269 59.410 58.200 -0.099 0.000 0.970 341 S CB -1.136 62.019 63.200 -0.075 0.000 0.762 341 S HN 0.339 nan 8.310 nan 0.000 0.510 342 E N -0.136 120.115 120.200 0.085 0.000 2.385 342 E HA 0.031 4.381 4.350 0.001 0.000 0.194 342 E C 1.585 178.455 176.600 0.451 0.000 1.013 342 E CA 0.821 57.366 56.400 0.243 0.000 0.866 342 E CB -0.030 29.840 29.700 0.283 0.000 0.832 342 E HN 0.999 nan 8.360 nan 0.000 0.500 343 W N -1.031 120.401 121.300 0.219 0.000 3.900 343 W HA 0.431 5.091 4.660 0.001 0.000 0.186 343 W C 0.283 176.667 176.519 -0.226 0.000 1.082 343 W CA -0.069 57.339 57.345 0.105 0.000 1.537 343 W CB -0.035 29.492 29.460 0.112 0.000 0.639 343 W HN -0.138 nan 8.180 nan 0.000 0.912 344 A N 2.757 124.832 122.820 -1.243 0.000 2.915 344 A HA 0.496 4.817 4.320 0.001 0.000 0.292 344 A C -1.103 175.864 177.584 -1.029 0.000 1.632 344 A CA 0.281 51.241 52.037 -1.795 0.000 1.337 344 A CB -1.737 16.081 19.000 -1.969 0.000 1.111 344 A HN 0.455 nan 8.150 nan 0.000 0.569 345 Y N -0.114 119.811 120.300 -0.625 0.000 2.620 345 Y HA 0.715 5.266 4.550 0.001 0.000 0.331 345 Y C -3.221 172.783 175.900 0.174 0.000 1.173 345 Y CA -2.704 55.313 58.100 -0.139 0.000 1.076 345 Y CB 0.522 38.916 38.460 -0.109 0.000 1.336 345 Y HN 0.280 nan 8.280 nan 0.000 0.459 346 P HA 0.324 nan 4.420 nan 0.000 0.279 346 P C -2.748 174.671 177.300 0.199 0.000 1.282 346 P CA -1.569 61.676 63.100 0.243 0.000 0.788 346 P CB 0.598 32.401 31.700 0.171 0.000 1.139 347 P HA 0.000 nan 4.420 nan 0.000 0.271 347 P C 1.270 178.625 177.300 0.092 0.000 1.218 347 P CA -0.058 63.113 63.100 0.117 0.000 0.780 347 P CB 0.616 32.345 31.700 0.048 0.000 0.901 348 V N 2.777 122.744 119.914 0.088 0.000 2.324 348 V HA -0.331 3.789 4.120 0.001 0.000 0.250 348 V C 2.696 178.783 176.094 -0.013 0.000 1.060 348 V CA 2.879 65.183 62.300 0.007 0.000 1.042 348 V CB -1.942 29.878 31.823 -0.005 0.000 0.650 348 V HN 0.686 nan 8.190 nan 0.000 0.450 349 A N -0.457 122.362 122.820 -0.002 0.000 1.873 349 A HA -0.386 3.935 4.320 0.001 0.000 0.218 349 A C 2.306 179.882 177.584 -0.014 0.000 1.193 349 A CA 2.581 54.612 52.037 -0.010 0.000 0.629 349 A CB -0.711 18.285 19.000 -0.006 0.000 0.826 349 A HN 0.638 nan 8.150 nan 0.000 0.447 350 Q N -0.472 119.325 119.800 -0.006 0.000 2.077 350 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 350 Q C 2.044 178.026 176.000 -0.029 0.000 0.989 350 Q CA 1.855 57.653 55.803 -0.007 0.000 0.853 350 Q CB -0.281 28.463 28.738 0.011 0.000 0.907 350 Q HN 0.687 nan 8.270 nan 0.000 0.418 351 L N 0.029 121.217 121.223 -0.059 0.000 2.083 351 L HA -0.186 4.155 4.340 0.001 0.000 0.209 351 L C 2.586 179.396 176.870 -0.100 0.000 1.083 351 L CA 0.995 55.759 54.840 -0.127 0.000 0.752 351 L CB -0.659 41.242 42.059 -0.263 0.000 0.899 351 L HN 0.360 nan 8.230 nan 0.000 0.433 352 A N 0.054 122.831 122.820 -0.072 0.000 1.873 352 A HA -0.241 4.080 4.320 0.001 0.000 0.215 352 A C 2.155 179.718 177.584 -0.035 0.000 1.186 352 A CA 1.862 53.868 52.037 -0.051 0.000 0.616 352 A CB -0.715 18.265 19.000 -0.035 0.000 0.823 352 A HN 0.447 nan 8.150 nan 0.000 0.442 353 N N 0.539 119.223 118.700 -0.027 0.000 2.104 353 N HA -0.110 4.630 4.740 0.001 0.000 0.190 353 N C 0.952 176.453 175.510 -0.016 0.000 1.024 353 N CA 1.287 54.326 53.050 -0.018 0.000 0.853 353 N CB -0.548 37.932 38.487 -0.013 0.000 1.008 353 N HN 0.216 nan 8.380 nan 0.000 0.424 354 V N 0.000 119.902 119.914 -0.019 0.000 2.409 354 V HA 0.000 4.121 4.120 0.001 0.000 0.244 354 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 354 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556