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 1zl0_1_A DATA FIRST_RESID 3 DATA SEQUENCE SRPSSDQTWQ PIDGRVALIA PASAIATDVL EATLRQLEVH GVDYHLGRHV DATA SEQUENCE EARYRYLAGT VEQRLEDLHN AFDMPDITAV WCLRGGYGCG QLLPGLDWGR DATA SEQUENCE LQAASPRPLI GFSDISVLLS AFHRHGLPAI HGPVATGLGL SPLSAPREQQ DATA SEQUENCE ERLASLASVS RLLAGIDHEL PVQHLGGHKQ RVEGALIGGN LTALACMAGT DATA SEQUENCE LGGLHAPAGS ILVLEDVGEP YYRLERSLWQ LLESIDARQL GAICLGSFTD DATA SEQUENCE CPRKEVAHSL ERIFGEYAAA IEVPLYHHLP SGHGAQNRAW PYGKTAVLEG DATA SEQUENCE NRLRWG 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.593 174.600 -0.012 0.000 1.055 3 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 3 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 4 R N 1.483 121.979 120.500 -0.006 0.000 2.469 4 R HA 0.387 4.727 4.340 0.001 0.000 0.250 4 R C -2.382 173.914 176.300 -0.007 0.000 0.909 4 R CA -0.450 55.646 56.100 -0.006 0.000 1.050 4 R CB -1.099 29.198 30.300 -0.005 0.000 1.256 4 R HN 0.342 nan 8.270 nan 0.000 0.550 5 P HA 0.045 nan 4.420 nan 0.000 0.274 5 P C -0.262 177.041 177.300 0.004 0.000 1.256 5 P CA -0.143 62.961 63.100 0.006 0.000 0.795 5 P CB 1.078 32.789 31.700 0.017 0.000 1.038 6 S N -0.306 115.397 115.700 0.005 0.000 2.572 6 S HA 0.061 4.532 4.470 0.001 0.000 0.279 6 S C 1.380 175.987 174.600 0.012 0.000 1.341 6 S CA 0.071 58.275 58.200 0.007 0.000 1.043 6 S CB -0.206 62.997 63.200 0.006 0.000 0.887 6 S HN 0.494 nan 8.310 nan 0.000 0.516 7 S N 1.731 117.441 115.700 0.015 0.000 2.603 7 S HA 0.025 4.496 4.470 0.001 0.000 0.220 7 S C 0.172 174.791 174.600 0.031 0.000 0.967 7 S CA 0.013 58.226 58.200 0.022 0.000 0.920 7 S CB -0.719 62.493 63.200 0.021 0.000 0.773 7 S HN 0.889 nan 8.310 nan 0.000 0.529 8 D N 1.255 121.673 120.400 0.029 0.000 2.455 8 D HA 0.066 4.707 4.640 0.001 0.000 0.241 8 D C 0.420 176.750 176.300 0.051 0.000 1.138 8 D CA 0.036 54.060 54.000 0.040 0.000 0.877 8 D CB 0.522 41.342 40.800 0.033 0.000 1.187 8 D HN 0.300 nan 8.370 nan 0.000 0.451 9 Q N 0.753 120.603 119.800 0.083 0.000 2.185 9 Q HA 0.085 4.426 4.340 0.001 0.000 0.234 9 Q C -0.191 175.943 176.000 0.223 0.000 0.819 9 Q CA -0.072 55.812 55.803 0.135 0.000 0.961 9 Q CB 0.852 29.673 28.738 0.138 0.000 1.140 9 Q HN 0.521 nan 8.270 nan 0.000 0.492 10 T N 1.493 116.156 114.554 0.181 0.000 2.814 10 T HA 0.075 4.425 4.350 0.001 0.000 0.297 10 T C -0.604 174.263 174.700 0.279 0.000 0.956 10 T CA -0.174 62.069 62.100 0.239 0.000 1.123 10 T CB 0.219 69.180 68.868 0.156 0.000 0.902 10 T HN 0.075 nan 8.240 nan 0.000 0.528 11 W N 2.850 124.157 121.300 0.013 0.000 2.170 11 W HA 0.262 4.922 4.660 0.001 0.000 0.336 11 W C 0.739 177.262 176.519 0.006 0.000 1.283 11 W CA -0.666 56.656 57.345 -0.038 0.000 1.224 11 W CB 0.214 29.585 29.460 -0.149 0.000 1.132 11 W HN 0.401 nan 8.180 nan 0.000 0.571 12 Q N 2.619 122.518 119.800 0.165 0.000 2.227 12 Q HA 0.324 4.665 4.340 0.001 0.000 0.245 12 Q C -1.959 174.139 176.000 0.163 0.000 0.926 12 Q CA -2.157 53.720 55.803 0.124 0.000 0.895 12 Q CB 0.035 28.799 28.738 0.042 0.000 1.230 12 Q HN 0.072 nan 8.270 nan 0.000 0.450 13 P HA 0.076 nan 4.420 nan 0.000 0.266 13 P C -0.498 176.871 177.300 0.114 0.000 1.195 13 P CA 0.428 63.609 63.100 0.136 0.000 0.768 13 P CB 0.394 32.151 31.700 0.095 0.000 0.838 14 I N 2.983 123.635 120.570 0.137 0.000 2.328 14 I HA 0.185 4.356 4.170 0.001 0.000 0.287 14 I C 0.191 176.360 176.117 0.086 0.000 1.012 14 I CA -0.686 60.676 61.300 0.103 0.000 1.195 14 I CB 0.941 39.025 38.000 0.140 0.000 1.350 14 I HN 0.154 nan 8.210 nan 0.000 0.464 15 D N 5.333 125.767 120.400 0.056 0.000 2.345 15 D HA 0.452 5.092 4.640 0.001 0.000 0.247 15 D C 0.759 177.085 176.300 0.043 0.000 1.108 15 D CA 0.760 54.788 54.000 0.046 0.000 0.894 15 D CB 1.521 42.341 40.800 0.033 0.000 1.203 15 D HN 0.834 nan 8.370 nan 0.000 0.430 16 G N 1.668 110.491 108.800 0.039 0.000 2.488 16 G HA2 -0.222 3.738 3.960 0.001 0.000 0.237 16 G HA3 -0.222 3.738 3.960 0.001 0.000 0.237 16 G C -0.359 174.568 174.900 0.046 0.000 1.209 16 G CA -0.229 44.890 45.100 0.032 0.000 0.929 16 G HN 0.705 nan 8.290 nan 0.000 0.578 17 R N -1.050 119.478 120.500 0.046 0.000 2.621 17 R HA 0.605 4.945 4.340 0.001 0.000 0.284 17 R C -0.913 175.443 176.300 0.093 0.000 0.998 17 R CA -0.699 55.444 56.100 0.072 0.000 0.895 17 R CB 2.063 32.393 30.300 0.049 0.000 1.195 17 R HN 0.640 nan 8.270 nan 0.000 0.450 18 V N 3.522 123.534 119.914 0.162 0.000 2.383 18 V HA 0.434 4.554 4.120 0.001 0.000 0.275 18 V C 0.273 176.491 176.094 0.206 0.000 1.036 18 V CA -0.647 61.767 62.300 0.190 0.000 0.889 18 V CB 1.182 33.180 31.823 0.291 0.000 0.985 18 V HN 0.892 nan 8.190 nan 0.000 0.459 19 A N 6.821 129.723 122.820 0.137 0.000 2.362 19 A HA 0.689 5.010 4.320 0.001 0.000 0.276 19 A C -0.410 177.270 177.584 0.161 0.000 1.153 19 A CA -0.282 51.848 52.037 0.154 0.000 0.813 19 A CB 0.033 19.056 19.000 0.038 0.000 1.081 19 A HN 0.823 nan 8.150 nan 0.000 0.507 20 L N 4.166 125.486 121.223 0.161 0.000 2.287 20 L HA 0.642 4.983 4.340 0.001 0.000 0.287 20 L C -0.108 176.801 176.870 0.065 0.000 1.022 20 L CA -0.330 54.555 54.840 0.075 0.000 0.814 20 L CB 0.981 43.025 42.059 -0.025 0.000 1.217 20 L HN 0.773 nan 8.230 nan 0.000 0.420 21 I N 0.203 120.800 120.570 0.044 0.000 3.042 21 I HA 0.908 5.079 4.170 0.001 0.000 0.310 21 I C -0.601 175.516 176.117 -0.001 0.000 1.117 21 I CA -0.908 60.414 61.300 0.036 0.000 1.003 21 I CB 2.489 40.520 38.000 0.053 0.000 1.228 21 I HN 0.512 nan 8.210 nan 0.000 0.443 22 A N 4.081 126.897 122.820 -0.006 0.000 2.842 22 A HA 0.636 4.957 4.320 0.001 0.000 0.339 22 A C -2.221 175.343 177.584 -0.034 0.000 1.177 22 A CA -1.195 50.827 52.037 -0.024 0.000 0.797 22 A CB -0.019 18.970 19.000 -0.019 0.000 1.094 22 A HN 0.683 nan 8.150 nan 0.000 0.474 23 P HA 0.213 nan 4.420 nan 0.000 0.255 23 P C 0.691 177.932 177.300 -0.099 0.000 1.248 23 P CA 1.131 64.184 63.100 -0.078 0.000 0.807 23 P CB 0.864 32.512 31.700 -0.086 0.000 1.150 24 A N -0.239 122.529 122.820 -0.087 0.000 2.751 24 A HA 0.536 4.856 4.320 0.001 0.000 0.201 24 A C 0.352 177.908 177.584 -0.047 0.000 1.619 24 A CA 0.032 52.005 52.037 -0.107 0.000 1.607 24 A CB -0.428 18.507 19.000 -0.109 0.000 1.580 24 A HN -0.023 nan 8.150 nan 0.000 0.499 25 S N 0.399 116.093 115.700 -0.010 0.000 2.592 25 S HA 0.537 5.008 4.470 0.001 0.000 0.271 25 S C 0.497 175.116 174.600 0.032 0.000 1.326 25 S CA -0.012 58.218 58.200 0.050 0.000 1.024 25 S CB 1.007 64.241 63.200 0.057 0.000 0.921 25 S HN 1.060 nan 8.310 nan 0.000 0.527 26 A N 2.081 124.936 122.820 0.058 0.000 2.448 26 A HA 0.459 4.779 4.320 0.001 0.000 0.239 26 A C 0.259 177.854 177.584 0.019 0.000 1.080 26 A CA -0.277 51.782 52.037 0.038 0.000 0.779 26 A CB -0.372 18.659 19.000 0.050 0.000 1.026 26 A HN 0.832 nan 8.150 nan 0.000 0.499 27 I N -1.539 119.033 120.570 0.003 0.000 2.646 27 I HA 0.778 4.948 4.170 0.001 0.000 0.299 27 I C 0.126 176.235 176.117 -0.013 0.000 1.036 27 I CA -1.019 60.273 61.300 -0.013 0.000 1.074 27 I CB 2.074 40.053 38.000 -0.035 0.000 1.258 27 I HN 0.662 nan 8.210 nan 0.000 0.430 28 A N 3.807 126.617 122.820 -0.016 0.000 2.354 28 A HA 0.424 4.745 4.320 0.001 0.000 0.269 28 A C 1.025 178.592 177.584 -0.027 0.000 1.109 28 A CA -0.247 51.780 52.037 -0.016 0.000 0.800 28 A CB 0.499 19.492 19.000 -0.012 0.000 1.045 28 A HN 0.907 nan 8.150 nan 0.000 0.489 29 T N 1.259 115.799 114.554 -0.024 0.000 2.746 29 T HA -0.165 4.185 4.350 0.001 0.000 0.267 29 T C 1.534 176.212 174.700 -0.037 0.000 1.039 29 T CA 2.026 64.107 62.100 -0.031 0.000 1.142 29 T CB -0.347 68.507 68.868 -0.024 0.000 0.866 29 T HN 0.915 nan 8.240 nan 0.000 0.444 30 D N 1.483 121.865 120.400 -0.030 0.000 2.117 30 D HA -0.071 4.569 4.640 0.001 0.000 0.198 30 D C 2.074 178.350 176.300 -0.040 0.000 0.982 30 D CA 0.751 54.733 54.000 -0.031 0.000 0.828 30 D CB -1.009 39.778 40.800 -0.022 0.000 0.967 30 D HN 0.306 nan 8.370 nan 0.000 0.464 31 V N 0.512 120.402 119.914 -0.040 0.000 2.343 31 V HA -0.192 3.929 4.120 0.001 0.000 0.247 31 V C 2.609 178.658 176.094 -0.076 0.000 1.051 31 V CA 1.391 63.661 62.300 -0.050 0.000 1.036 31 V CB -0.662 31.136 31.823 -0.041 0.000 0.654 31 V HN 0.166 nan 8.190 nan 0.000 0.451 32 L N 0.278 121.453 121.223 -0.080 0.000 2.012 32 L HA -0.152 4.189 4.340 0.001 0.000 0.210 32 L C 2.509 179.307 176.870 -0.119 0.000 1.073 32 L CA 1.997 56.772 54.840 -0.110 0.000 0.748 32 L CB -0.835 41.167 42.059 -0.096 0.000 0.891 32 L HN 0.269 nan 8.230 nan 0.000 0.431 33 E N 0.045 120.193 120.200 -0.086 0.000 2.077 33 E HA -0.171 4.179 4.350 0.001 0.000 0.193 33 E C 2.227 178.777 176.600 -0.082 0.000 0.989 33 E CA 1.349 57.702 56.400 -0.078 0.000 0.800 33 E CB -0.610 29.059 29.700 -0.052 0.000 0.746 33 E HN 0.635 nan 8.360 nan 0.000 0.452 34 A N 0.804 123.579 122.820 -0.075 0.000 1.933 34 A HA -0.150 4.171 4.320 0.001 0.000 0.218 34 A C 2.440 179.968 177.584 -0.093 0.000 1.175 34 A CA 1.969 53.964 52.037 -0.071 0.000 0.628 34 A CB -0.845 18.122 19.000 -0.054 0.000 0.814 34 A HN 0.240 nan 8.150 nan 0.000 0.444 35 T N 0.730 115.210 114.554 -0.124 0.000 2.652 35 T HA -0.127 4.223 4.350 0.001 0.000 0.267 35 T C 1.808 176.383 174.700 -0.208 0.000 1.039 35 T CA 1.603 63.600 62.100 -0.172 0.000 1.153 35 T CB -0.436 68.299 68.868 -0.220 0.000 0.863 35 T HN 0.402 nan 8.240 nan 0.000 0.428 36 L N 0.340 121.417 121.223 -0.244 0.000 2.083 36 L HA -0.084 4.256 4.340 0.001 0.000 0.209 36 L C 2.919 179.723 176.870 -0.109 0.000 1.083 36 L CA 1.358 56.015 54.840 -0.306 0.000 0.752 36 L CB -0.583 41.293 42.059 -0.306 0.000 0.899 36 L HN 0.175 nan 8.230 nan 0.000 0.433 37 R N -0.324 120.129 120.500 -0.079 0.000 2.081 37 R HA -0.157 4.184 4.340 0.001 0.000 0.235 37 R C 2.374 178.629 176.300 -0.075 0.000 1.131 37 R CA 1.070 57.140 56.100 -0.051 0.000 0.960 37 R CB -0.258 30.007 30.300 -0.058 0.000 0.856 37 R HN 0.411 nan 8.270 nan 0.000 0.436 38 Q N 0.704 120.448 119.800 -0.092 0.000 2.119 38 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 38 Q C 2.305 178.252 176.000 -0.089 0.000 0.972 38 Q CA 1.145 56.881 55.803 -0.111 0.000 0.847 38 Q CB -0.200 28.500 28.738 -0.064 0.000 0.903 38 Q HN 0.400 nan 8.270 nan 0.000 0.433 39 L N 0.528 121.728 121.223 -0.040 0.000 2.046 39 L HA -0.200 4.141 4.340 0.001 0.000 0.208 39 L C 2.504 179.421 176.870 0.077 0.000 1.077 39 L CA 1.366 56.238 54.840 0.053 0.000 0.747 39 L CB -0.410 41.696 42.059 0.079 0.000 0.896 39 L HN 0.294 nan 8.230 nan 0.000 0.432 40 E N 0.110 120.351 120.200 0.068 0.000 2.077 40 E HA -0.189 4.162 4.350 0.001 0.000 0.193 40 E C 2.267 178.831 176.600 -0.059 0.000 0.989 40 E CA 1.224 57.650 56.400 0.044 0.000 0.800 40 E CB 0.141 29.873 29.700 0.053 0.000 0.746 40 E HN 0.241 nan 8.360 nan 0.000 0.452 41 V N 1.185 121.007 119.914 -0.155 0.000 2.324 41 V HA -0.255 3.865 4.120 0.001 0.000 0.250 41 V C 1.949 177.818 176.094 -0.376 0.000 1.060 41 V CA 1.956 64.082 62.300 -0.291 0.000 1.042 41 V CB -0.598 30.973 31.823 -0.420 0.000 0.650 41 V HN 0.429 nan 8.190 nan 0.000 0.450 42 H N -0.342 118.572 119.070 -0.259 0.000 2.539 42 H HA 0.219 4.775 4.556 0.001 0.000 0.267 42 H C 1.897 177.176 175.328 -0.083 0.000 0.982 42 H CA 0.769 56.642 56.048 -0.291 0.000 1.146 42 H CB -0.080 29.274 29.762 -0.680 0.000 1.382 42 H HN 0.544 nan 8.280 nan 0.000 0.577 43 G N 1.122 109.944 108.800 0.037 0.000 2.176 43 G HA2 -0.270 3.691 3.960 0.001 0.000 0.252 43 G HA3 -0.270 3.691 3.960 0.001 0.000 0.252 43 G C 0.092 175.061 174.900 0.115 0.000 1.024 43 G CA 0.408 45.546 45.100 0.063 0.000 0.755 43 G HN 0.236 nan 8.290 nan 0.000 0.507 44 V N 1.456 121.468 119.914 0.164 0.000 2.364 44 V HA 0.305 4.425 4.120 0.001 0.000 0.272 44 V C 0.194 176.411 176.094 0.205 0.000 1.036 44 V CA -1.053 61.380 62.300 0.223 0.000 0.880 44 V CB 1.396 33.419 31.823 0.334 0.000 0.991 44 V HN 0.292 nan 8.190 nan 0.000 0.460 45 D N 4.461 124.938 120.400 0.129 0.000 2.389 45 D HA 0.343 4.983 4.640 0.001 0.000 0.247 45 D C -0.450 175.921 176.300 0.118 0.000 1.128 45 D CA 0.422 54.442 54.000 0.035 0.000 0.884 45 D CB 1.287 42.087 40.800 -0.000 0.000 1.194 45 D HN 0.619 nan 8.370 nan 0.000 0.441 46 Y N -1.138 119.201 120.300 0.066 0.000 2.605 46 Y HA 0.570 5.120 4.550 0.001 0.000 0.343 46 Y C -1.058 174.894 175.900 0.086 0.000 1.036 46 Y CA -1.428 56.719 58.100 0.078 0.000 1.065 46 Y CB 1.162 39.654 38.460 0.053 0.000 1.288 46 Y HN 0.362 nan 8.280 nan 0.000 0.481 47 H N 1.636 120.840 119.070 0.225 0.000 2.589 47 H HA 0.574 5.131 4.556 0.001 0.000 0.335 47 H C -1.941 173.516 175.328 0.216 0.000 1.019 47 H CA -0.913 55.227 56.048 0.153 0.000 1.213 47 H CB 1.559 31.358 29.762 0.061 0.000 1.472 47 H HN 0.871 nan 8.280 nan 0.000 0.508 48 L N 5.254 126.315 121.223 -0.269 0.000 2.276 48 L HA 0.483 4.823 4.340 0.001 0.000 0.286 48 L C 0.595 177.336 176.870 -0.215 0.000 1.061 48 L CA 0.055 54.816 54.840 -0.132 0.000 0.807 48 L CB 0.857 42.881 42.059 -0.058 0.000 1.177 48 L HN 0.892 nan 8.230 nan 0.000 0.429 49 G N 4.077 112.888 108.800 0.018 0.000 2.414 49 G HA2 0.056 4.017 3.960 0.001 0.000 0.236 49 G HA3 0.056 4.017 3.960 0.001 0.000 0.236 49 G C 0.717 175.605 174.900 -0.020 0.000 1.293 49 G CA -0.449 44.706 45.100 0.092 0.000 0.869 49 G HN 0.730 nan 8.290 nan 0.000 0.556 50 R N 0.583 121.058 120.500 -0.042 0.000 2.193 50 R HA -0.070 4.270 4.340 0.001 0.000 0.229 50 R C 0.779 176.789 176.300 -0.484 0.000 1.110 50 R CA 1.072 57.007 56.100 -0.275 0.000 0.988 50 R CB -0.026 30.067 30.300 -0.345 0.000 0.871 50 R HN 0.765 nan 8.270 nan 0.000 0.458 51 H N -1.081 117.991 119.070 0.005 0.000 2.528 51 H HA 0.065 4.622 4.556 0.001 0.000 0.282 51 H C 1.605 176.924 175.328 -0.015 0.000 1.097 51 H CA -0.059 55.984 56.048 -0.009 0.000 1.121 51 H CB 0.461 30.213 29.762 -0.016 0.000 1.590 51 H HN -0.049 nan 8.280 nan 0.000 0.553 52 V N -1.463 118.465 119.914 0.025 0.000 2.759 52 V HA -0.130 3.990 4.120 0.001 0.000 0.256 52 V C 1.293 177.387 176.094 -0.000 0.000 1.080 52 V CA 1.600 63.905 62.300 0.008 0.000 1.101 52 V CB 0.000 31.808 31.823 -0.026 0.000 0.698 52 V HN 0.371 nan 8.190 nan 0.000 0.477 53 E N 0.978 121.176 120.200 -0.003 0.000 2.474 53 E HA 0.436 4.786 4.350 0.001 0.000 0.195 53 E C 1.116 177.729 176.600 0.021 0.000 1.039 53 E CA 0.301 56.700 56.400 -0.002 0.000 0.881 53 E CB 0.425 30.115 29.700 -0.016 0.000 0.970 53 E HN 0.768 nan 8.360 nan 0.000 0.486 54 A N 1.907 124.756 122.820 0.048 0.000 2.425 54 A HA 0.268 4.589 4.320 0.001 0.000 0.242 54 A C 0.187 177.805 177.584 0.056 0.000 1.077 54 A CA 0.192 52.268 52.037 0.065 0.000 0.781 54 A CB 0.355 19.413 19.000 0.097 0.000 1.020 54 A HN 0.145 nan 8.150 nan 0.000 0.494 55 R N 0.620 121.159 120.500 0.066 0.000 2.515 55 R HA 0.454 4.794 4.340 0.001 0.000 0.291 55 R C -2.341 174.022 176.300 0.104 0.000 1.046 55 R CA -0.421 55.716 56.100 0.062 0.000 0.914 55 R CB 1.247 31.565 30.300 0.030 0.000 1.191 55 R HN 0.780 nan 8.270 nan 0.000 0.435 56 Y N 6.646 126.905 120.300 -0.068 0.000 2.445 56 Y HA 0.214 4.764 4.550 0.001 0.000 0.332 56 Y C 0.136 175.922 175.900 -0.190 0.000 1.037 56 Y CA -0.414 57.625 58.100 -0.101 0.000 1.296 56 Y CB 0.446 38.855 38.460 -0.085 0.000 1.099 56 Y HN 0.893 nan 8.280 nan 0.000 0.496 57 R N 1.501 121.732 120.500 -0.448 0.000 3.657 57 R HA -0.410 3.930 4.340 0.001 0.000 0.533 57 R C 0.067 176.162 176.300 -0.343 0.000 0.241 57 R CA 2.226 58.023 56.100 -0.505 0.000 1.659 57 R CB -1.662 28.143 30.300 -0.825 0.000 0.920 57 R HN 0.720 nan 8.270 nan 0.000 0.599 58 Y N 0.419 120.733 120.300 0.023 0.000 2.583 58 Y HA 0.442 4.992 4.550 0.001 0.000 0.293 58 Y C 1.138 177.076 175.900 0.062 0.000 1.157 58 Y CA -0.460 57.668 58.100 0.047 0.000 1.315 58 Y CB -0.074 38.425 38.460 0.065 0.000 1.021 58 Y HN 0.139 nan 8.280 nan 0.000 0.536 59 L N 1.143 122.436 121.223 0.116 0.000 2.418 59 L HA 0.457 4.798 4.340 0.001 0.000 0.265 59 L C 0.742 177.661 176.870 0.083 0.000 1.143 59 L CA -0.818 54.100 54.840 0.131 0.000 0.809 59 L CB 0.843 42.978 42.059 0.126 0.000 1.124 59 L HN 0.168 nan 8.230 nan 0.000 0.456 60 A N 2.490 125.337 122.820 0.046 0.000 3.063 60 A HA 0.533 4.854 4.320 0.001 0.000 0.263 60 A C 0.792 178.389 177.584 0.022 0.000 1.736 60 A CA 0.432 52.487 52.037 0.031 0.000 1.408 60 A CB -1.434 17.572 19.000 0.010 0.000 1.108 60 A HN 0.986 nan 8.150 nan 0.000 0.621 61 G N 0.362 109.190 108.800 0.048 0.000 2.757 61 G HA2 0.105 4.066 3.960 0.001 0.000 0.638 61 G HA3 0.105 4.066 3.960 0.001 0.000 0.638 61 G C 0.146 174.972 174.900 -0.124 0.000 1.344 61 G CA -0.197 44.900 45.100 -0.006 0.000 0.855 61 G HN 1.878 nan 8.290 nan 0.000 0.537 62 T N -2.130 112.227 114.554 -0.329 0.000 2.802 62 T HA 0.442 4.792 4.350 0.001 0.000 0.305 62 T C 1.840 176.365 174.700 -0.291 0.000 1.053 62 T CA 0.457 62.252 62.100 -0.508 0.000 1.058 62 T CB 1.296 69.815 68.868 -0.581 0.000 0.988 62 T HN 1.501 nan 8.240 nan 0.000 0.539 63 V N 1.641 121.403 119.914 -0.252 0.000 2.282 63 V HA -0.159 3.961 4.120 0.001 0.000 0.249 63 V C 2.864 178.844 176.094 -0.190 0.000 1.057 63 V CA 2.150 64.341 62.300 -0.181 0.000 1.032 63 V CB -0.972 30.770 31.823 -0.135 0.000 0.645 63 V HN 0.835 nan 8.190 nan 0.000 0.447 64 E N -0.100 119.979 120.200 -0.202 0.000 2.077 64 E HA -0.224 4.126 4.350 0.001 0.000 0.193 64 E C 2.233 178.686 176.600 -0.245 0.000 0.989 64 E CA 1.273 57.562 56.400 -0.186 0.000 0.800 64 E CB -0.486 29.118 29.700 -0.161 0.000 0.746 64 E HN 0.694 nan 8.360 nan 0.000 0.452 65 Q N 0.196 119.802 119.800 -0.324 0.000 2.050 65 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 65 Q C 2.322 178.124 176.000 -0.330 0.000 0.980 65 Q CA 1.321 56.814 55.803 -0.517 0.000 0.840 65 Q CB -0.145 28.314 28.738 -0.466 0.000 0.898 65 Q HN 0.183 nan 8.270 nan 0.000 0.424 66 R N 0.161 120.537 120.500 -0.206 0.000 2.092 66 R HA -0.062 4.278 4.340 0.001 0.000 0.231 66 R C 2.304 178.508 176.300 -0.160 0.000 1.119 66 R CA 0.870 56.889 56.100 -0.134 0.000 0.970 66 R CB -0.211 30.015 30.300 -0.124 0.000 0.864 66 R HN 0.239 nan 8.270 nan 0.000 0.440 67 L N 0.644 121.738 121.223 -0.215 0.000 2.083 67 L HA -0.183 4.158 4.340 0.001 0.000 0.209 67 L C 2.129 178.855 176.870 -0.240 0.000 1.083 67 L CA 1.414 56.058 54.840 -0.328 0.000 0.752 67 L CB -0.320 41.562 42.059 -0.295 0.000 0.899 67 L HN 0.234 nan 8.230 nan 0.000 0.433 68 E N 0.011 120.145 120.200 -0.109 0.000 2.058 68 E HA -0.250 4.101 4.350 0.001 0.000 0.194 68 E C 1.732 178.378 176.600 0.075 0.000 0.997 68 E CA 1.628 58.037 56.400 0.014 0.000 0.801 68 E CB -0.046 29.643 29.700 -0.018 0.000 0.746 68 E HN 0.450 nan 8.360 nan 0.000 0.450 69 D N 0.216 120.661 120.400 0.075 0.000 2.117 69 D HA -0.118 4.523 4.640 0.001 0.000 0.198 69 D C 1.842 178.194 176.300 0.086 0.000 0.982 69 D CA 0.463 54.537 54.000 0.124 0.000 0.828 69 D CB -0.187 40.698 40.800 0.141 0.000 0.967 69 D HN 0.035 nan 8.370 nan 0.000 0.464 70 L N 0.654 121.880 121.223 0.005 0.000 2.017 70 L HA -0.150 4.191 4.340 0.001 0.000 0.208 70 L C 2.013 178.978 176.870 0.159 0.000 1.073 70 L CA 1.885 56.748 54.840 0.037 0.000 0.745 70 L CB -0.752 41.236 42.059 -0.117 0.000 0.894 70 L HN 0.096 nan 8.230 nan 0.000 0.432 71 H N -0.682 118.434 119.070 0.076 0.000 2.353 71 H HA -0.140 4.417 4.556 0.001 0.000 0.300 71 H C 2.168 177.567 175.328 0.118 0.000 1.090 71 H CA 1.632 57.723 56.048 0.071 0.000 1.327 71 H CB -0.630 29.124 29.762 -0.014 0.000 1.383 71 H HN 0.463 nan 8.280 nan 0.000 0.508 72 N N 0.886 119.704 118.700 0.196 0.000 2.166 72 N HA -0.119 4.621 4.740 0.001 0.000 0.186 72 N C 1.944 177.469 175.510 0.025 0.000 1.019 72 N CA 1.385 54.490 53.050 0.092 0.000 0.856 72 N CB -0.220 38.306 38.487 0.066 0.000 0.993 72 N HN 0.275 nan 8.380 nan 0.000 0.426 73 A N -1.063 121.791 122.820 0.057 0.000 2.076 73 A HA -0.057 4.263 4.320 0.001 0.000 0.220 73 A C 1.522 178.925 177.584 -0.301 0.000 1.160 73 A CA 1.011 52.992 52.037 -0.093 0.000 0.653 73 A CB -0.784 18.190 19.000 -0.043 0.000 0.801 73 A HN 0.441 nan 8.150 nan 0.000 0.455 74 F N -0.722 119.247 119.950 0.031 0.000 2.714 74 F HA 0.083 4.610 4.527 0.001 0.000 0.294 74 F C 1.563 177.364 175.800 0.002 0.000 1.120 74 F CA 0.300 58.317 58.000 0.028 0.000 1.398 74 F CB 0.286 39.311 39.000 0.042 0.000 1.120 74 F HN 0.119 nan 8.300 nan 0.000 0.589 75 D N 0.177 120.635 120.400 0.096 0.000 2.194 75 D HA -0.013 4.627 4.640 0.001 0.000 0.204 75 D C 0.920 177.209 176.300 -0.017 0.000 0.964 75 D CA 0.901 54.922 54.000 0.035 0.000 0.846 75 D CB -0.037 40.777 40.800 0.023 0.000 0.962 75 D HN 0.180 nan 8.370 nan 0.000 0.490 76 M N 1.363 120.922 119.600 -0.068 0.000 2.188 76 M HA 0.110 4.590 4.480 0.001 0.000 0.354 76 M C -1.547 174.711 176.300 -0.070 0.000 1.342 76 M CA -1.457 53.788 55.300 -0.093 0.000 1.117 76 M CB 1.349 33.844 32.600 -0.176 0.000 1.670 76 M HN -0.248 nan 8.290 nan 0.000 0.466 77 P HA -0.115 nan 4.420 nan 0.000 0.226 77 P C 0.309 177.590 177.300 -0.031 0.000 1.153 77 P CA 1.033 64.115 63.100 -0.029 0.000 0.777 77 P CB -0.052 31.638 31.700 -0.016 0.000 0.794 78 D N -1.449 118.929 120.400 -0.037 0.000 2.328 78 D HA -0.008 4.633 4.640 0.001 0.000 0.221 78 D C 0.380 176.665 176.300 -0.025 0.000 1.072 78 D CA -0.010 53.976 54.000 -0.023 0.000 0.850 78 D CB -0.234 40.557 40.800 -0.014 0.000 0.922 78 D HN 0.069 nan 8.370 nan 0.000 0.516 79 I N 2.072 122.611 120.570 -0.053 0.000 2.395 79 I HA 0.092 4.263 4.170 0.001 0.000 0.289 79 I C 1.423 177.506 176.117 -0.058 0.000 1.023 79 I CA 0.085 61.348 61.300 -0.062 0.000 1.350 79 I CB 1.276 39.198 38.000 -0.130 0.000 1.409 79 I HN -0.017 nan 8.210 nan 0.000 0.507 80 T N 1.539 116.076 114.554 -0.029 0.000 3.040 80 T HA 0.624 4.975 4.350 0.001 0.000 0.266 80 T C 0.310 174.994 174.700 -0.028 0.000 1.005 80 T CA -0.104 61.983 62.100 -0.021 0.000 0.906 80 T CB 0.505 69.373 68.868 0.000 0.000 1.082 80 T HN 0.699 nan 8.240 nan 0.000 0.531 81 A N 0.402 123.203 122.820 -0.031 0.000 2.605 81 A HA 0.671 4.992 4.320 0.001 0.000 0.294 81 A C -1.648 175.925 177.584 -0.019 0.000 1.062 81 A CA -0.732 51.283 52.037 -0.038 0.000 0.682 81 A CB 1.542 20.510 19.000 -0.053 0.000 1.278 81 A HN 0.293 nan 8.150 nan 0.000 0.410 82 V N 1.706 121.610 119.914 -0.018 0.000 2.349 82 V HA 0.399 4.520 4.120 0.001 0.000 0.284 82 V C -1.184 174.969 176.094 0.097 0.000 1.014 82 V CA -0.363 61.952 62.300 0.025 0.000 0.826 82 V CB 1.145 32.964 31.823 -0.008 0.000 1.009 82 V HN 0.795 nan 8.190 nan 0.000 0.431 83 W N 5.893 127.165 121.300 -0.046 0.000 2.294 83 W HA 0.511 5.172 4.660 0.001 0.000 0.314 83 W C -0.040 176.443 176.519 -0.061 0.000 1.044 83 W CA -1.559 55.749 57.345 -0.061 0.000 1.284 83 W CB 1.272 30.707 29.460 -0.041 0.000 1.231 83 W HN 0.499 nan 8.180 nan 0.000 0.419 84 C N 6.615 126.086 119.300 0.285 0.000 2.637 84 C HA 0.065 4.526 4.460 0.001 0.000 0.418 84 C C 2.171 177.167 174.990 0.009 0.000 1.319 84 C CA -0.238 58.832 59.018 0.088 0.000 1.949 84 C CB -0.211 27.539 27.740 0.017 0.000 2.639 84 C HN 0.725 nan 8.230 nan 0.000 0.594 85 L N 1.624 122.807 121.223 -0.067 0.000 2.131 85 L HA 0.080 4.421 4.340 0.001 0.000 0.206 85 L C 1.352 178.161 176.870 -0.102 0.000 1.087 85 L CA 1.315 56.073 54.840 -0.137 0.000 0.767 85 L CB -0.219 41.767 42.059 -0.121 0.000 0.917 85 L HN 0.690 nan 8.230 nan 0.000 0.441 86 R N -1.701 118.757 120.500 -0.071 0.000 2.629 86 R HA 0.387 4.727 4.340 0.001 0.000 0.266 86 R C -0.202 176.043 176.300 -0.092 0.000 1.051 86 R CA -0.046 56.012 56.100 -0.069 0.000 0.895 86 R CB 1.433 31.702 30.300 -0.052 0.000 1.246 86 R HN -0.018 nan 8.270 nan 0.000 0.459 87 G N 0.551 109.264 108.800 -0.144 0.000 3.372 87 G HA2 0.497 4.457 3.960 0.001 0.000 0.178 87 G HA3 0.497 4.457 3.960 0.001 0.000 0.178 87 G C 0.638 175.483 174.900 -0.092 0.000 1.817 87 G CA 0.423 45.422 45.100 -0.168 0.000 0.996 87 G HN 1.053 nan 8.290 nan 0.000 0.559 88 G N -1.142 107.613 108.800 -0.074 0.000 4.257 88 G HA2 -0.040 3.921 3.960 0.001 0.000 0.270 88 G HA3 -0.040 3.921 3.960 0.001 0.000 0.270 88 G C -0.125 174.825 174.900 0.083 0.000 1.717 88 G CA 0.963 46.065 45.100 0.004 0.000 1.170 88 G HN 1.796 nan 8.290 nan 0.000 0.642 89 Y N 0.711 120.987 120.300 -0.039 0.000 2.480 89 Y HA 0.543 5.093 4.550 0.001 0.000 0.329 89 Y C 0.539 176.456 175.900 0.027 0.000 1.127 89 Y CA 0.744 58.831 58.100 -0.022 0.000 1.037 89 Y CB 1.318 39.741 38.460 -0.061 0.000 1.320 89 Y HN 2.059 nan 8.280 nan 0.000 0.446 90 G N 1.481 109.742 108.800 -0.898 0.000 2.613 90 G HA2 -0.238 3.723 3.960 0.001 0.000 0.199 90 G HA3 -0.238 3.723 3.960 0.001 0.000 0.199 90 G C 0.860 175.510 174.900 -0.416 0.000 0.991 90 G CA 0.178 44.700 45.100 -0.962 0.000 0.756 90 G HN 1.314 nan 8.290 nan 0.000 0.515 91 C N 1.094 120.245 119.300 -0.249 0.000 2.448 91 C HA 0.448 4.909 4.460 0.001 0.000 0.280 91 C C 2.916 177.848 174.990 -0.096 0.000 1.398 91 C CA 1.342 60.272 59.018 -0.148 0.000 1.774 91 C CB -1.250 26.422 27.740 -0.114 0.000 1.888 91 C HN 0.764 nan 8.230 nan 0.000 0.519 92 G N 0.477 109.237 108.800 -0.067 0.000 2.448 92 G HA2 -0.164 3.797 3.960 0.001 0.000 0.219 92 G HA3 -0.164 3.797 3.960 0.001 0.000 0.219 92 G C 1.699 176.599 174.900 -0.001 0.000 1.127 92 G CA 0.562 45.666 45.100 0.007 0.000 0.766 92 G HN 0.750 nan 8.290 nan 0.000 0.552 93 Q N -0.330 119.438 119.800 -0.052 0.000 2.291 93 Q HA 0.054 4.394 4.340 0.001 0.000 0.206 93 Q C 2.278 178.247 176.000 -0.052 0.000 0.976 93 Q CA 0.556 56.336 55.803 -0.039 0.000 0.875 93 Q CB -0.186 28.511 28.738 -0.070 0.000 0.927 93 Q HN 0.488 nan 8.270 nan 0.000 0.450 94 L N -0.091 121.086 121.223 -0.077 0.000 2.418 94 L HA -0.049 4.291 4.340 0.001 0.000 0.218 94 L C 1.954 178.768 176.870 -0.094 0.000 1.125 94 L CA 0.231 55.004 54.840 -0.112 0.000 0.835 94 L CB -0.258 41.709 42.059 -0.153 0.000 0.953 94 L HN 0.247 nan 8.230 nan 0.000 0.454 95 L N 0.287 121.498 121.223 -0.019 0.000 2.046 95 L HA -0.127 4.214 4.340 0.001 0.000 0.208 95 L C 0.016 176.916 176.870 0.050 0.000 1.077 95 L CA 1.326 56.194 54.840 0.045 0.000 0.747 95 L CB -1.770 40.377 42.059 0.147 0.000 0.896 95 L HN 0.228 nan 8.230 nan 0.000 0.432 96 P HA -0.144 nan 4.420 nan 0.000 0.216 96 P C 1.306 178.614 177.300 0.013 0.000 1.150 96 P CA 1.619 64.745 63.100 0.044 0.000 0.837 96 P CB -0.096 31.623 31.700 0.033 0.000 0.786 97 G N -1.665 107.116 108.800 -0.030 0.000 3.088 97 G HA2 0.093 4.053 3.960 0.001 0.000 0.217 97 G HA3 0.093 4.053 3.960 0.001 0.000 0.217 97 G C 0.158 175.023 174.900 -0.059 0.000 1.159 97 G CA -0.093 44.985 45.100 -0.037 0.000 0.760 97 G HN 0.159 nan 8.290 nan 0.000 0.550 98 L N 1.385 122.500 121.223 -0.180 0.000 2.367 98 L HA 0.348 4.689 4.340 0.001 0.000 0.275 98 L C -0.637 175.999 176.870 -0.390 0.000 1.129 98 L CA -0.826 53.796 54.840 -0.363 0.000 0.839 98 L CB 1.214 42.825 42.059 -0.747 0.000 1.133 98 L HN -0.103 nan 8.230 nan 0.000 0.453 99 D N 4.023 124.344 120.400 -0.131 0.000 2.468 99 D HA 0.030 4.671 4.640 0.001 0.000 0.218 99 D C 0.535 176.628 176.300 -0.344 0.000 1.155 99 D CA -0.087 53.754 54.000 -0.264 0.000 0.924 99 D CB 0.112 40.677 40.800 -0.391 0.000 1.029 99 D HN 0.569 nan 8.370 nan 0.000 0.515 100 W N 2.479 123.655 121.300 -0.206 0.000 2.374 100 W HA -0.016 4.645 4.660 0.001 0.000 0.288 100 W C 2.415 178.797 176.519 -0.229 0.000 1.218 100 W CA 0.664 57.815 57.345 -0.323 0.000 1.245 100 W CB -0.088 29.119 29.460 -0.421 0.000 1.126 100 W HN 0.512 nan 8.180 nan 0.000 0.545 101 G N 0.178 109.007 108.800 0.049 0.000 2.418 101 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 101 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 101 G C 1.586 176.465 174.900 -0.035 0.000 1.158 101 G CA 0.872 45.978 45.100 0.010 0.000 0.771 101 G HN 0.145 nan 8.290 nan 0.000 0.545 102 R N -0.680 119.765 120.500 -0.092 0.000 2.081 102 R HA -0.022 4.318 4.340 0.001 0.000 0.235 102 R C 2.515 178.782 176.300 -0.056 0.000 1.131 102 R CA 1.005 57.052 56.100 -0.087 0.000 0.960 102 R CB -0.303 29.894 30.300 -0.173 0.000 0.856 102 R HN 0.315 nan 8.270 nan 0.000 0.436 103 L N 0.875 121.978 121.223 -0.201 0.000 2.056 103 L HA -0.151 4.190 4.340 0.001 0.000 0.207 103 L C 2.335 179.152 176.870 -0.089 0.000 1.078 103 L CA 1.704 56.313 54.840 -0.385 0.000 0.749 103 L CB -0.620 40.927 42.059 -0.853 0.000 0.901 103 L HN 0.171 nan 8.230 nan 0.000 0.433 104 Q N -1.278 118.492 119.800 -0.050 0.000 2.297 104 Q HA -0.050 4.290 4.340 0.001 0.000 0.204 104 Q C 2.207 178.235 176.000 0.047 0.000 0.962 104 Q CA 1.065 56.876 55.803 0.014 0.000 0.879 104 Q CB -0.193 28.558 28.738 0.022 0.000 0.947 104 Q HN 0.544 nan 8.270 nan 0.000 0.462 105 A N 0.911 123.758 122.820 0.045 0.000 2.066 105 A HA 0.196 4.516 4.320 0.001 0.000 0.218 105 A C 1.156 178.784 177.584 0.074 0.000 1.157 105 A CA 0.637 52.703 52.037 0.049 0.000 0.670 105 A CB -0.194 18.825 19.000 0.030 0.000 0.804 105 A HN 0.316 nan 8.150 nan 0.000 0.453 106 A N 0.560 123.458 122.820 0.129 0.000 2.351 106 A HA 0.523 4.843 4.320 0.001 0.000 0.257 106 A C 0.901 178.554 177.584 0.115 0.000 1.087 106 A CA 0.202 52.324 52.037 0.141 0.000 0.798 106 A CB -0.064 19.090 19.000 0.255 0.000 1.033 106 A HN 0.990 nan 8.150 nan 0.000 0.488 107 S N 1.460 117.201 115.700 0.070 0.000 2.576 107 S HA 0.324 4.794 4.470 0.001 0.000 0.272 107 S C -2.584 172.057 174.600 0.068 0.000 1.352 107 S CA -0.795 57.438 58.200 0.055 0.000 1.021 107 S CB -0.373 62.843 63.200 0.028 0.000 0.887 107 S HN 0.485 nan 8.310 nan 0.000 0.542 108 P HA 0.183 nan 4.420 nan 0.000 0.265 108 P C -0.552 176.782 177.300 0.057 0.000 1.193 108 P CA 0.004 63.154 63.100 0.083 0.000 0.765 108 P CB 0.141 31.881 31.700 0.065 0.000 0.823 109 R N 1.994 122.547 120.500 0.087 0.000 3.107 109 R HA 0.375 4.715 4.340 0.001 0.000 0.251 109 R C -3.212 173.143 176.300 0.092 0.000 1.818 109 R CA -1.909 54.203 56.100 0.020 0.000 1.228 109 R CB 0.258 30.485 30.300 -0.122 0.000 1.459 109 R HN 0.162 nan 8.270 nan 0.000 0.520 110 P HA -0.090 nan 4.420 nan 0.000 0.264 110 P C -0.501 176.806 177.300 0.012 0.000 1.183 110 P CA -0.279 62.854 63.100 0.056 0.000 0.763 110 P CB 0.520 32.196 31.700 -0.041 0.000 0.807 111 L N 5.439 126.673 121.223 0.018 0.000 2.290 111 L HA 0.379 4.720 4.340 0.001 0.000 0.284 111 L C -0.596 176.136 176.870 -0.229 0.000 1.078 111 L CA 0.143 54.892 54.840 -0.151 0.000 0.815 111 L CB -0.024 41.717 42.059 -0.529 0.000 1.162 111 L HN 0.233 nan 8.230 nan 0.000 0.435 112 I N 5.141 125.578 120.570 -0.222 0.000 2.465 112 I HA 0.867 5.037 4.170 0.001 0.000 0.291 112 I C 0.439 176.472 176.117 -0.139 0.000 1.014 112 I CA -0.187 60.937 61.300 -0.293 0.000 1.093 112 I CB 1.689 39.323 38.000 -0.610 0.000 1.267 112 I HN 0.755 nan 8.210 nan 0.000 0.431 113 G N 4.598 113.289 108.800 -0.181 0.000 2.317 113 G HA2 0.512 4.472 3.960 0.001 0.000 0.293 113 G HA3 0.512 4.472 3.960 0.001 0.000 0.293 113 G C -1.600 173.196 174.900 -0.173 0.000 1.287 113 G CA -0.573 44.486 45.100 -0.067 0.000 0.850 113 G HN 0.669 nan 8.290 nan 0.000 0.515 114 F N -2.072 117.638 119.950 -0.400 0.000 3.016 114 F HA 0.827 5.355 4.527 0.001 0.000 0.324 114 F C 0.743 176.397 175.800 -0.243 0.000 1.196 114 F CA 0.291 57.956 58.000 -0.557 0.000 0.929 114 F CB 1.059 39.518 39.000 -0.901 0.000 1.440 114 F HN 1.755 nan 8.300 nan 0.000 0.505 115 S N 0.563 115.950 115.700 -0.522 0.000 3.961 115 S HA -0.416 4.054 4.470 0.001 0.000 0.627 115 S C 0.989 175.507 174.600 -0.137 0.000 2.148 115 S CA 1.803 59.787 58.200 -0.360 0.000 4.099 115 S CB -2.046 60.729 63.200 -0.709 0.000 0.219 115 S HN 1.286 nan 8.310 nan 0.000 0.744 116 D N 0.724 121.051 120.400 -0.121 0.000 2.228 116 D HA -0.095 4.546 4.640 0.001 0.000 0.203 116 D C 1.894 178.152 176.300 -0.070 0.000 0.988 116 D CA 1.801 55.775 54.000 -0.044 0.000 0.864 116 D CB -0.223 40.559 40.800 -0.031 0.000 0.928 116 D HN 0.422 nan 8.370 nan 0.000 0.469 117 I N 0.548 121.037 120.570 -0.136 0.000 2.567 117 I HA -0.181 3.990 4.170 0.001 0.000 0.257 117 I C 2.154 178.191 176.117 -0.135 0.000 1.184 117 I CA 0.716 61.929 61.300 -0.146 0.000 1.451 117 I CB -1.288 36.606 38.000 -0.175 0.000 1.089 117 I HN 0.036 nan 8.210 nan 0.000 0.441 118 S N 1.053 116.711 115.700 -0.070 0.000 2.392 118 S HA -0.156 4.314 4.470 0.001 0.000 0.232 118 S C 2.283 176.873 174.600 -0.016 0.000 1.041 118 S CA 1.293 59.493 58.200 -0.001 0.000 1.026 118 S CB -0.475 62.822 63.200 0.160 0.000 0.845 118 S HN 0.327 nan 8.310 nan 0.000 0.465 119 V N 1.503 121.426 119.914 0.015 0.000 2.287 119 V HA -0.164 3.957 4.120 0.001 0.000 0.248 119 V C 2.183 178.305 176.094 0.046 0.000 1.053 119 V CA 1.472 63.803 62.300 0.053 0.000 1.027 119 V CB -0.707 31.152 31.823 0.060 0.000 0.646 119 V HN 0.335 nan 8.190 nan 0.000 0.447 120 L N -0.721 120.491 121.223 -0.019 0.000 2.093 120 L HA -0.111 4.229 4.340 0.001 0.000 0.208 120 L C 2.249 179.069 176.870 -0.084 0.000 1.085 120 L CA 1.637 56.466 54.840 -0.017 0.000 0.755 120 L CB -1.033 40.924 42.059 -0.169 0.000 0.904 120 L HN 0.240 nan 8.230 nan 0.000 0.435 121 L N -1.444 119.604 121.223 -0.292 0.000 2.012 121 L HA -0.265 4.075 4.340 0.001 0.000 0.210 121 L C 2.738 179.359 176.870 -0.416 0.000 1.073 121 L CA 1.661 56.162 54.840 -0.565 0.000 0.748 121 L CB -0.938 40.473 42.059 -1.079 0.000 0.891 121 L HN 0.341 nan 8.230 nan 0.000 0.431 122 S N -0.052 115.528 115.700 -0.199 0.000 2.356 122 S HA -0.206 4.264 4.470 0.001 0.000 0.223 122 S C 2.147 176.913 174.600 0.277 0.000 1.032 122 S CA 1.348 59.692 58.200 0.240 0.000 1.005 122 S CB -0.156 63.206 63.200 0.271 0.000 0.867 122 S HN 0.423 nan 8.310 nan 0.000 0.449 123 A N 0.389 123.367 122.820 0.263 0.000 1.933 123 A HA 0.071 4.392 4.320 0.001 0.000 0.218 123 A C 1.909 179.691 177.584 0.330 0.000 1.175 123 A CA 1.422 53.639 52.037 0.300 0.000 0.628 123 A CB -1.016 18.277 19.000 0.490 0.000 0.814 123 A HN 0.582 nan 8.150 nan 0.000 0.444 124 F N -0.432 119.642 119.950 0.207 0.000 2.102 124 F HA -0.154 4.373 4.527 0.001 0.000 0.298 124 F C 2.271 178.183 175.800 0.187 0.000 1.105 124 F CA 1.384 59.514 58.000 0.217 0.000 1.239 124 F CB -1.089 38.017 39.000 0.178 0.000 0.991 124 F HN 0.542 nan 8.300 nan 0.000 0.474 125 H N -0.178 119.071 119.070 0.298 0.000 2.319 125 H HA -0.199 4.357 4.556 0.001 0.000 0.299 125 H C 2.648 177.958 175.328 -0.031 0.000 1.092 125 H CA 1.558 57.760 56.048 0.257 0.000 1.302 125 H CB -0.047 30.027 29.762 0.521 0.000 1.373 125 H HN 0.111 nan 8.280 nan 0.000 0.497 126 R N -0.377 119.911 120.500 -0.353 0.000 2.105 126 R HA -0.159 4.181 4.340 0.001 0.000 0.239 126 R C 1.084 176.894 176.300 -0.816 0.000 1.135 126 R CA 1.965 57.460 56.100 -1.007 0.000 0.967 126 R CB -0.081 29.729 30.300 -0.817 0.000 0.861 126 R HN 0.535 nan 8.270 nan 0.000 0.442 127 H N -1.807 116.957 119.070 -0.509 0.000 2.517 127 H HA 0.245 4.801 4.556 0.001 0.000 0.282 127 H C 0.716 175.907 175.328 -0.229 0.000 1.023 127 H CA 0.531 56.293 56.048 -0.476 0.000 1.169 127 H CB 0.934 30.228 29.762 -0.781 0.000 1.454 127 H HN 0.469 nan 8.280 nan 0.000 0.556 128 G N 0.838 109.614 108.800 -0.040 0.000 2.198 128 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 128 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 128 G C -0.176 174.776 174.900 0.086 0.000 1.025 128 G CA 0.051 45.181 45.100 0.050 0.000 0.769 128 G HN 0.319 nan 8.290 nan 0.000 0.507 129 L N 1.337 122.626 121.223 0.110 0.000 2.317 129 L HA 0.523 4.863 4.340 0.001 0.000 0.281 129 L C -1.479 175.563 176.870 0.287 0.000 1.024 129 L CA -2.421 52.507 54.840 0.146 0.000 0.810 129 L CB 1.800 43.819 42.059 -0.067 0.000 1.240 129 L HN -0.051 nan 8.230 nan 0.000 0.427 130 P HA 0.369 nan 4.420 nan 0.000 0.274 130 P C -1.151 176.290 177.300 0.235 0.000 1.231 130 P CA -0.236 62.984 63.100 0.200 0.000 0.790 130 P CB 1.669 33.443 31.700 0.124 0.000 0.951 131 A N 2.015 124.911 122.820 0.126 0.000 2.610 131 A HA 0.749 5.070 4.320 0.001 0.000 0.291 131 A C -1.461 176.089 177.584 -0.056 0.000 1.086 131 A CA -0.617 51.434 52.037 0.023 0.000 0.677 131 A CB 1.054 20.060 19.000 0.010 0.000 1.278 131 A HN 0.420 nan 8.150 nan 0.000 0.414 132 I N 1.623 122.084 120.570 -0.182 0.000 2.534 132 I HA 0.276 4.446 4.170 0.001 0.000 0.288 132 I C -0.695 175.198 176.117 -0.373 0.000 1.077 132 I CA -0.481 60.647 61.300 -0.287 0.000 1.051 132 I CB 2.034 39.826 38.000 -0.348 0.000 1.234 132 I HN 0.822 nan 8.210 nan 0.000 0.425 133 H N 5.760 124.407 119.070 -0.705 0.000 2.782 133 H HA 0.647 5.204 4.556 0.001 0.000 0.285 133 H C -0.432 174.448 175.328 -0.747 0.000 1.093 133 H CA 0.207 55.744 56.048 -0.853 0.000 1.410 133 H CB 0.929 29.709 29.762 -1.637 0.000 1.439 133 H HN 0.865 nan 8.280 nan 0.000 0.469 134 G N 4.758 113.201 108.800 -0.595 0.000 2.489 134 G HA2 0.197 4.157 3.960 0.001 0.000 0.305 134 G HA3 0.197 4.157 3.960 0.001 0.000 0.305 134 G C -3.208 171.479 174.900 -0.355 0.000 1.311 134 G CA -1.180 43.648 45.100 -0.454 0.000 0.813 134 G HN 0.343 nan 8.290 nan 0.000 0.480 135 P HA 0.269 nan 4.420 nan 0.000 0.266 135 P C 0.568 178.060 177.300 0.321 0.000 1.193 135 P CA -0.158 62.901 63.100 -0.068 0.000 0.770 135 P CB 0.766 32.465 31.700 -0.001 0.000 0.836 136 V N -0.045 120.084 119.914 0.359 0.000 2.953 136 V HA 0.461 4.581 4.120 0.001 0.000 0.304 136 V C 1.372 177.454 176.094 -0.019 0.000 1.073 136 V CA 0.255 62.707 62.300 0.252 0.000 1.064 136 V CB 0.313 32.201 31.823 0.109 0.000 1.047 136 V HN 0.612 nan 8.190 nan 0.000 0.478 137 A N 2.087 124.610 122.820 -0.496 0.000 1.969 137 A HA -0.063 4.257 4.320 0.001 0.000 0.218 137 A C 2.140 179.439 177.584 -0.475 0.000 1.169 137 A CA 1.994 53.413 52.037 -1.031 0.000 0.635 137 A CB -1.177 16.990 19.000 -1.389 0.000 0.810 137 A HN 1.419 nan 8.150 nan 0.000 0.445 138 T N -2.763 111.629 114.554 -0.271 0.000 3.098 138 T HA 0.061 4.411 4.350 0.001 0.000 0.266 138 T C 1.714 176.359 174.700 -0.092 0.000 1.145 138 T CA 1.162 63.164 62.100 -0.163 0.000 1.092 138 T CB -0.620 68.183 68.868 -0.109 0.000 0.908 138 T HN 0.399 nan 8.240 nan 0.000 0.526 139 G N 1.875 110.640 108.800 -0.059 0.000 2.485 139 G HA2 -0.119 3.841 3.960 0.001 0.000 0.221 139 G HA3 -0.119 3.841 3.960 0.001 0.000 0.221 139 G C 1.374 176.275 174.900 0.001 0.000 1.115 139 G CA 0.697 45.797 45.100 -0.000 0.000 0.751 139 G HN 0.571 nan 8.290 nan 0.000 0.567 140 L N 0.334 121.537 121.223 -0.034 0.000 2.265 140 L HA 0.062 4.402 4.340 0.001 0.000 0.215 140 L C 2.702 179.557 176.870 -0.025 0.000 1.117 140 L CA 0.909 55.748 54.840 -0.003 0.000 0.782 140 L CB -0.083 41.953 42.059 -0.039 0.000 0.914 140 L HN 0.324 nan 8.230 nan 0.000 0.441 141 G N -1.032 107.738 108.800 -0.051 0.000 3.159 141 G HA2 0.267 4.228 3.960 0.001 0.000 0.232 141 G HA3 0.267 4.228 3.960 0.001 0.000 0.232 141 G C 0.589 175.471 174.900 -0.029 0.000 1.116 141 G CA -0.412 44.658 45.100 -0.050 0.000 0.767 141 G HN 0.029 nan 8.290 nan 0.000 0.547 142 L N 2.138 123.353 121.223 -0.014 0.000 2.452 142 L HA 0.248 4.589 4.340 0.001 0.000 0.267 142 L C 1.082 177.954 176.870 0.003 0.000 1.188 142 L CA -0.567 54.273 54.840 -0.001 0.000 0.821 142 L CB 0.944 43.011 42.059 0.014 0.000 1.102 142 L HN 0.188 nan 8.230 nan 0.000 0.470 143 S N 1.544 117.247 115.700 0.005 0.000 2.552 143 S HA 0.196 4.666 4.470 0.001 0.000 0.289 143 S C -2.262 172.346 174.600 0.013 0.000 1.304 143 S CA -1.271 56.933 58.200 0.006 0.000 1.063 143 S CB 0.028 63.233 63.200 0.007 0.000 0.848 143 S HN 0.342 nan 8.310 nan 0.000 0.499 144 P HA 0.164 nan 4.420 nan 0.000 0.267 144 P C -0.341 176.972 177.300 0.021 0.000 1.200 144 P CA -0.330 62.782 63.100 0.019 0.000 0.772 144 P CB 0.290 32.000 31.700 0.016 0.000 0.855 145 L N 1.338 122.576 121.223 0.025 0.000 2.456 145 L HA 0.014 4.355 4.340 0.001 0.000 0.272 145 L C 1.667 178.550 176.870 0.022 0.000 1.189 145 L CA 0.245 55.100 54.840 0.026 0.000 0.846 145 L CB 0.109 42.186 42.059 0.029 0.000 1.111 145 L HN 0.443 nan 8.230 nan 0.000 0.475 146 S N 1.423 117.136 115.700 0.021 0.000 2.406 146 S HA -0.010 4.461 4.470 0.001 0.000 0.228 146 S C 0.797 175.408 174.600 0.018 0.000 1.020 146 S CA 0.737 58.948 58.200 0.018 0.000 0.965 146 S CB -0.009 63.201 63.200 0.017 0.000 0.798 146 S HN 0.718 nan 8.310 nan 0.000 0.488 147 A N 2.339 125.171 122.820 0.020 0.000 2.302 147 A HA 0.486 4.806 4.320 0.001 0.000 0.295 147 A C -1.499 176.097 177.584 0.020 0.000 1.235 147 A CA -1.578 50.470 52.037 0.019 0.000 0.876 147 A CB 0.300 19.312 19.000 0.020 0.000 1.133 147 A HN 0.084 nan 8.150 nan 0.000 0.533 148 P HA -0.211 nan 4.420 nan 0.000 0.216 148 P C 1.589 178.902 177.300 0.021 0.000 1.150 148 P CA 1.267 64.379 63.100 0.019 0.000 0.843 148 P CB 0.139 31.849 31.700 0.017 0.000 0.787 149 R N -0.034 120.478 120.500 0.019 0.000 2.115 149 R HA -0.116 4.225 4.340 0.001 0.000 0.230 149 R C 2.072 178.385 176.300 0.021 0.000 1.111 149 R CA 1.207 57.319 56.100 0.019 0.000 0.976 149 R CB -0.319 29.991 30.300 0.015 0.000 0.870 149 R HN 0.074 nan 8.270 nan 0.000 0.445 150 E N 0.243 120.456 120.200 0.022 0.000 2.107 150 E HA -0.208 4.143 4.350 0.001 0.000 0.191 150 E C 1.862 178.479 176.600 0.028 0.000 0.982 150 E CA 0.942 57.357 56.400 0.024 0.000 0.809 150 E CB -0.078 29.637 29.700 0.026 0.000 0.756 150 E HN 0.314 nan 8.360 nan 0.000 0.459 151 Q N 1.441 121.259 119.800 0.029 0.000 2.084 151 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 151 Q C 1.985 178.010 176.000 0.041 0.000 0.978 151 Q CA 1.724 57.548 55.803 0.035 0.000 0.844 151 Q CB -0.119 28.638 28.738 0.032 0.000 0.898 151 Q HN 0.275 nan 8.270 nan 0.000 0.426 152 Q N -0.218 119.605 119.800 0.038 0.000 2.124 152 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 152 Q C 2.023 178.049 176.000 0.044 0.000 0.977 152 Q CA 1.657 57.487 55.803 0.044 0.000 0.850 152 Q CB -0.065 28.694 28.738 0.036 0.000 0.901 152 Q HN 0.534 nan 8.270 nan 0.000 0.429 153 E N 0.406 120.625 120.200 0.032 0.000 2.106 153 E HA -0.187 4.164 4.350 0.001 0.000 0.192 153 E C 2.003 178.617 176.600 0.023 0.000 0.984 153 E CA 0.619 57.034 56.400 0.024 0.000 0.806 153 E CB -0.081 29.628 29.700 0.016 0.000 0.750 153 E HN 0.210 nan 8.360 nan 0.000 0.458 154 R N 1.083 121.601 120.500 0.029 0.000 2.083 154 R HA -0.177 4.164 4.340 0.001 0.000 0.237 154 R C 2.235 178.569 176.300 0.057 0.000 1.137 154 R CA 1.271 57.390 56.100 0.032 0.000 0.951 154 R CB -0.258 30.065 30.300 0.039 0.000 0.851 154 R HN 0.169 nan 8.270 nan 0.000 0.434 155 L N 0.228 121.501 121.223 0.082 0.000 2.093 155 L HA -0.090 4.251 4.340 0.001 0.000 0.208 155 L C 2.777 179.723 176.870 0.126 0.000 1.085 155 L CA 1.196 56.119 54.840 0.138 0.000 0.755 155 L CB -0.534 41.611 42.059 0.144 0.000 0.904 155 L HN 0.344 nan 8.230 nan 0.000 0.435 156 A N -0.668 122.196 122.820 0.075 0.000 1.933 156 A HA -0.181 4.139 4.320 0.001 0.000 0.218 156 A C 2.511 180.090 177.584 -0.008 0.000 1.175 156 A CA 2.031 54.092 52.037 0.041 0.000 0.628 156 A CB -0.539 18.479 19.000 0.030 0.000 0.814 156 A HN 0.361 nan 8.150 nan 0.000 0.444 157 S N -0.209 115.484 115.700 -0.011 0.000 2.368 157 S HA -0.075 4.395 4.470 0.001 0.000 0.224 157 S C 1.821 176.372 174.600 -0.081 0.000 1.029 157 S CA 1.378 59.545 58.200 -0.055 0.000 0.988 157 S CB -0.425 62.736 63.200 -0.065 0.000 0.838 157 S HN 0.502 nan 8.310 nan 0.000 0.462 158 L N 1.146 122.359 121.223 -0.016 0.000 2.046 158 L HA -0.125 4.215 4.340 0.001 0.000 0.208 158 L C 2.719 179.405 176.870 -0.306 0.000 1.077 158 L CA 1.227 56.071 54.840 0.007 0.000 0.747 158 L CB -0.601 41.585 42.059 0.213 0.000 0.896 158 L HN 0.319 nan 8.230 nan 0.000 0.432 159 A N -0.195 122.430 122.820 -0.325 0.000 2.019 159 A HA -0.206 4.115 4.320 0.001 0.000 0.219 159 A C 2.481 179.713 177.584 -0.586 0.000 1.164 159 A CA 1.739 53.318 52.037 -0.763 0.000 0.644 159 A CB -0.647 18.225 19.000 -0.214 0.000 0.805 159 A HN 0.539 nan 8.150 nan 0.000 0.449 160 S N -0.486 115.012 115.700 -0.337 0.000 2.447 160 S HA -0.085 4.386 4.470 0.001 0.000 0.233 160 S C 1.671 176.072 174.600 -0.331 0.000 1.006 160 S CA 1.210 59.263 58.200 -0.245 0.000 0.957 160 S CB -0.717 62.405 63.200 -0.131 0.000 0.773 160 S HN 0.236 nan 8.310 nan 0.000 0.507 161 V N 2.956 122.581 119.914 -0.482 0.000 2.244 161 V HA -0.167 3.953 4.120 0.001 0.000 0.244 161 V C 3.185 178.951 176.094 -0.547 0.000 1.042 161 V CA 2.110 64.052 62.300 -0.596 0.000 1.006 161 V CB -1.346 29.929 31.823 -0.913 0.000 0.641 161 V HN 0.808 nan 8.190 nan 0.000 0.446 162 S N 0.617 115.942 115.700 -0.625 0.000 2.382 162 S HA -0.250 4.221 4.470 0.001 0.000 0.228 162 S C 2.033 176.483 174.600 -0.249 0.000 1.027 162 S CA 1.548 59.512 58.200 -0.393 0.000 0.991 162 S CB -0.537 62.450 63.200 -0.355 0.000 0.823 162 S HN 0.577 nan 8.310 nan 0.000 0.469 163 R N 0.266 120.612 120.500 -0.257 0.000 2.092 163 R HA 0.134 4.474 4.340 0.001 0.000 0.231 163 R C 2.360 178.592 176.300 -0.114 0.000 1.119 163 R CA 1.226 57.242 56.100 -0.140 0.000 0.970 163 R CB -0.570 29.660 30.300 -0.116 0.000 0.864 163 R HN 0.382 nan 8.270 nan 0.000 0.440 164 L N 0.933 122.067 121.223 -0.148 0.000 2.072 164 L HA -0.058 4.283 4.340 0.001 0.000 0.205 164 L C 1.866 178.658 176.870 -0.130 0.000 1.079 164 L CA 1.496 56.268 54.840 -0.113 0.000 0.752 164 L CB -0.303 41.667 42.059 -0.150 0.000 0.906 164 L HN 0.117 nan 8.230 nan 0.000 0.436 165 L N -0.344 120.775 121.223 -0.173 0.000 2.081 165 L HA -0.219 4.122 4.340 0.001 0.000 0.212 165 L C 2.458 179.282 176.870 -0.076 0.000 1.080 165 L CA 1.319 56.078 54.840 -0.136 0.000 0.754 165 L CB -0.822 41.140 42.059 -0.162 0.000 0.893 165 L HN 0.394 nan 8.230 nan 0.000 0.433 166 A N -0.790 121.991 122.820 -0.065 0.000 2.169 166 A HA 0.249 4.569 4.320 0.001 0.000 0.212 166 A C 1.763 179.340 177.584 -0.013 0.000 1.153 166 A CA 0.775 52.797 52.037 -0.026 0.000 0.756 166 A CB -0.372 18.620 19.000 -0.014 0.000 0.813 166 A HN 0.532 nan 8.150 nan 0.000 0.471 167 G N -0.112 108.667 108.800 -0.034 0.000 2.143 167 G HA2 -0.306 3.654 3.960 0.001 0.000 0.248 167 G HA3 -0.306 3.654 3.960 0.001 0.000 0.248 167 G C 0.762 175.614 174.900 -0.081 0.000 0.991 167 G CA 0.625 45.701 45.100 -0.039 0.000 0.689 167 G HN 1.286 nan 8.290 nan 0.000 0.522 168 I N -3.627 116.906 120.570 -0.061 0.000 3.427 168 I HA 0.375 4.546 4.170 0.001 0.000 0.288 168 I C -0.124 175.969 176.117 -0.041 0.000 1.249 168 I CA 0.009 61.306 61.300 -0.004 0.000 1.421 168 I CB 0.187 38.201 38.000 0.023 0.000 1.086 168 I HN -0.088 nan 8.210 nan 0.000 0.448 169 D N 0.563 120.885 120.400 -0.130 0.000 2.185 169 D HA 0.305 4.945 4.640 0.001 0.000 0.247 169 D C -0.253 175.858 176.300 -0.314 0.000 1.027 169 D CA -0.205 53.739 54.000 -0.093 0.000 0.861 169 D CB 1.610 42.427 40.800 0.028 0.000 1.202 169 D HN 0.235 nan 8.370 nan 0.000 0.453 170 H N -0.630 118.254 119.070 -0.311 0.000 3.622 170 H HA 0.162 4.719 4.556 0.001 0.000 0.259 170 H C -0.187 174.201 175.328 -1.567 0.000 1.145 170 H CA -0.169 55.361 56.048 -0.862 0.000 1.178 170 H CB 1.196 30.674 29.762 -0.473 0.000 1.542 170 H HN 0.478 nan 8.280 nan 0.000 0.586 171 E N 0.182 119.781 120.200 -1.001 0.000 2.423 171 E HA 0.526 4.877 4.350 0.001 0.000 0.280 171 E C -1.647 174.730 176.600 -0.371 0.000 1.030 171 E CA -0.946 54.980 56.400 -0.790 0.000 0.812 171 E CB 2.072 31.529 29.700 -0.406 0.000 1.313 171 E HN -0.026 nan 8.360 nan 0.000 0.456 172 L N 0.654 121.769 121.223 -0.180 0.000 2.393 172 L HA 0.597 4.938 4.340 0.001 0.000 0.260 172 L C -2.488 174.368 176.870 -0.023 0.000 1.002 172 L CA -2.442 52.391 54.840 -0.012 0.000 0.818 172 L CB 2.812 44.944 42.059 0.121 0.000 1.369 172 L HN 0.519 nan 8.230 nan 0.000 0.412 173 P HA 0.278 nan 4.420 nan 0.000 0.278 173 P C -1.177 176.142 177.300 0.031 0.000 1.238 173 P CA -0.207 62.899 63.100 0.010 0.000 0.794 173 P CB 1.739 33.447 31.700 0.012 0.000 0.955 174 V N -0.709 119.240 119.914 0.058 0.000 3.202 174 V HA 0.649 4.769 4.120 0.001 0.000 0.306 174 V C -1.270 174.928 176.094 0.173 0.000 1.283 174 V CA -0.982 61.385 62.300 0.113 0.000 1.065 174 V CB 1.927 33.813 31.823 0.106 0.000 1.079 174 V HN 0.589 nan 8.190 nan 0.000 0.448 175 Q N 0.720 120.657 119.800 0.228 0.000 2.305 175 Q HA 0.369 4.710 4.340 0.001 0.000 0.271 175 Q C -1.164 174.976 176.000 0.234 0.000 1.046 175 Q CA -0.691 55.250 55.803 0.230 0.000 0.798 175 Q CB 1.703 30.540 28.738 0.165 0.000 1.286 175 Q HN 1.092 nan 8.270 nan 0.000 0.435 176 H N 3.823 122.867 119.070 -0.043 0.000 2.897 176 H HA 0.027 4.584 4.556 0.001 0.000 0.347 176 H C -0.409 174.715 175.328 -0.340 0.000 1.068 176 H CA 0.761 56.494 56.048 -0.524 0.000 1.426 176 H CB 1.278 30.756 29.762 -0.474 0.000 1.410 176 H HN 0.675 nan 8.280 nan 0.000 0.597 177 L N 3.984 124.622 121.223 -0.975 0.000 2.663 177 L HA 0.406 4.747 4.340 0.001 0.000 0.218 177 L C 0.480 176.971 176.870 -0.633 0.000 1.043 177 L CA 1.254 55.672 54.840 -0.703 0.000 0.876 177 L CB 0.526 42.099 42.059 -0.809 0.000 1.263 177 L HN 0.753 nan 8.230 nan 0.000 0.486 178 G N -1.641 106.648 108.800 -0.852 0.000 2.677 178 G HA2 0.541 4.501 3.960 0.001 0.000 0.291 178 G HA3 0.541 4.501 3.960 0.001 0.000 0.291 178 G C -0.366 174.333 174.900 -0.336 0.000 1.435 178 G CA -0.037 44.815 45.100 -0.414 0.000 0.826 178 G HN 0.660 nan 8.290 nan 0.000 0.491 179 G N -0.242 108.510 108.800 -0.081 0.000 2.693 179 G HA2 0.248 4.209 3.960 0.001 0.000 0.226 179 G HA3 0.248 4.209 3.960 0.001 0.000 0.226 179 G C 0.153 175.124 174.900 0.118 0.000 1.354 179 G CA 0.703 45.799 45.100 -0.008 0.000 0.873 179 G HN 2.513 nan 8.290 nan 0.000 0.562 180 H N -0.136 119.004 119.070 0.117 0.000 2.757 180 H HA 0.657 5.214 4.556 0.001 0.000 0.370 180 H C 1.086 176.471 175.328 0.095 0.000 1.172 180 H CA 0.488 56.583 56.048 0.079 0.000 1.426 180 H CB 0.662 30.452 29.762 0.047 0.000 1.438 180 H HN 0.602 nan 8.280 nan 0.000 0.612 181 K N 0.711 121.171 120.400 0.101 0.000 2.399 181 K HA 0.075 4.396 4.320 0.001 0.000 0.204 181 K C -0.094 176.593 176.600 0.144 0.000 1.023 181 K CA -0.316 55.907 56.287 -0.107 0.000 1.127 181 K CB 0.527 32.829 32.500 -0.331 0.000 0.856 181 K HN 0.557 nan 8.250 nan 0.000 0.514 182 Q N 1.273 121.326 119.800 0.422 0.000 2.417 182 Q HA 0.087 4.428 4.340 0.001 0.000 0.241 182 Q C 0.036 176.191 176.000 0.260 0.000 1.008 182 Q CA -0.038 55.915 55.803 0.251 0.000 0.901 182 Q CB 0.612 29.402 28.738 0.086 0.000 1.259 182 Q HN 0.158 nan 8.270 nan 0.000 0.489 183 R N 0.484 121.066 120.500 0.136 0.000 2.585 183 R HA 0.145 4.485 4.340 0.001 0.000 0.275 183 R C -0.980 175.386 176.300 0.110 0.000 1.018 183 R CA 0.095 56.252 56.100 0.095 0.000 1.072 183 R CB 0.285 30.610 30.300 0.042 0.000 0.953 183 R HN 0.307 nan 8.270 nan 0.000 0.419 184 V N 4.598 124.550 119.914 0.064 0.000 2.540 184 V HA 0.285 4.406 4.120 0.001 0.000 0.302 184 V C -0.461 175.627 176.094 -0.011 0.000 1.035 184 V CA -0.590 61.738 62.300 0.047 0.000 0.873 184 V CB 1.582 33.422 31.823 0.029 0.000 0.992 184 V HN 0.842 nan 8.190 nan 0.000 0.428 185 E N 2.907 123.107 120.200 -0.001 0.000 2.224 185 E HA 0.743 5.093 4.350 0.001 0.000 0.265 185 E C -0.310 176.283 176.600 -0.011 0.000 0.878 185 E CA -0.286 56.108 56.400 -0.010 0.000 0.759 185 E CB 2.020 31.721 29.700 0.001 0.000 1.164 185 E HN 0.929 nan 8.360 nan 0.000 0.414 186 G N 1.779 110.566 108.800 -0.023 0.000 2.451 186 G HA2 0.500 4.461 3.960 0.001 0.000 0.292 186 G HA3 0.500 4.461 3.960 0.001 0.000 0.292 186 G C -1.315 173.561 174.900 -0.041 0.000 1.427 186 G CA -0.329 44.757 45.100 -0.023 0.000 0.792 186 G HN 0.619 nan 8.290 nan 0.000 0.498 187 A N -0.291 122.509 122.820 -0.034 0.000 2.477 187 A HA 0.590 4.911 4.320 0.001 0.000 0.246 187 A C 0.433 177.927 177.584 -0.149 0.000 1.078 187 A CA -0.057 51.940 52.037 -0.068 0.000 0.770 187 A CB -0.018 18.990 19.000 0.014 0.000 1.011 187 A HN 0.761 nan 8.150 nan 0.000 0.494 188 L N 3.421 124.505 121.223 -0.231 0.000 2.361 188 L HA 0.428 4.768 4.340 0.001 0.000 0.278 188 L C 0.305 176.900 176.870 -0.458 0.000 1.113 188 L CA 0.081 54.718 54.840 -0.340 0.000 0.849 188 L CB 0.040 41.903 42.059 -0.328 0.000 1.155 188 L HN 0.751 nan 8.230 nan 0.000 0.452 189 I N -0.107 120.245 120.570 -0.363 0.000 3.264 189 I HA 1.013 5.183 4.170 0.001 0.000 0.315 189 I C 0.336 176.483 176.117 0.050 0.000 1.154 189 I CA -0.407 60.718 61.300 -0.291 0.000 0.962 189 I CB 2.235 40.239 38.000 0.007 0.000 1.265 189 I HN 0.652 nan 8.210 nan 0.000 0.463 190 G N 0.922 109.963 108.800 0.402 0.000 2.501 190 G HA2 0.422 4.382 3.960 0.001 0.000 0.213 190 G HA3 0.422 4.382 3.960 0.001 0.000 0.213 190 G C 0.212 175.439 174.900 0.545 0.000 1.158 190 G CA 0.016 45.351 45.100 0.391 0.000 1.079 190 G HN 2.538 nan 8.290 nan 0.000 0.586 191 G N -0.092 108.946 108.800 0.397 0.000 2.541 191 G HA2 0.138 4.099 3.960 0.001 0.000 0.208 191 G HA3 0.138 4.099 3.960 0.001 0.000 0.208 191 G C -0.019 175.084 174.900 0.338 0.000 1.191 191 G CA 0.756 46.105 45.100 0.415 0.000 1.217 191 G HN 1.818 nan 8.290 nan 0.000 0.566 192 N N 1.494 120.395 118.700 0.335 0.000 2.442 192 N HA 0.230 4.970 4.740 0.001 0.000 0.265 192 N C 1.565 177.190 175.510 0.192 0.000 1.138 192 N CA 0.054 53.250 53.050 0.243 0.000 0.956 192 N CB 1.259 39.875 38.487 0.214 0.000 1.067 192 N HN 0.599 nan 8.380 nan 0.000 0.474 193 L N 4.921 126.253 121.223 0.181 0.000 2.017 193 L HA -0.125 4.216 4.340 0.001 0.000 0.208 193 L C 2.050 179.007 176.870 0.144 0.000 1.073 193 L CA 1.987 56.943 54.840 0.193 0.000 0.745 193 L CB -1.094 41.130 42.059 0.275 0.000 0.894 193 L HN 0.600 nan 8.230 nan 0.000 0.432 194 T N 0.154 114.778 114.554 0.116 0.000 2.684 194 T HA -0.189 4.161 4.350 0.001 0.000 0.267 194 T C 1.915 176.665 174.700 0.084 0.000 1.036 194 T CA 1.620 63.766 62.100 0.076 0.000 1.148 194 T CB -0.656 68.234 68.868 0.037 0.000 0.863 194 T HN 0.561 nan 8.240 nan 0.000 0.436 195 A N 1.089 123.967 122.820 0.097 0.000 1.908 195 A HA -0.030 4.291 4.320 0.001 0.000 0.218 195 A C 2.319 179.974 177.584 0.117 0.000 1.181 195 A CA 1.367 53.468 52.037 0.107 0.000 0.627 195 A CB -0.851 18.211 19.000 0.103 0.000 0.818 195 A HN 0.490 nan 8.150 nan 0.000 0.445 196 L N -0.997 120.304 121.223 0.130 0.000 2.072 196 L HA -0.121 4.220 4.340 0.001 0.000 0.205 196 L C 3.078 180.019 176.870 0.119 0.000 1.079 196 L CA 0.907 55.828 54.840 0.135 0.000 0.752 196 L CB -0.580 41.575 42.059 0.160 0.000 0.906 196 L HN 0.416 nan 8.230 nan 0.000 0.436 197 A N 0.019 122.905 122.820 0.110 0.000 1.978 197 A HA -0.276 4.045 4.320 0.001 0.000 0.220 197 A C 2.387 180.027 177.584 0.093 0.000 1.170 197 A CA 1.784 53.880 52.037 0.099 0.000 0.636 197 A CB -1.178 17.877 19.000 0.091 0.000 0.810 197 A HN 0.719 nan 8.150 nan 0.000 0.448 198 C N -1.907 117.447 119.300 0.090 0.000 2.539 198 C HA 0.250 4.710 4.460 0.001 0.000 0.271 198 C C 1.951 177.002 174.990 0.101 0.000 1.412 198 C CA 0.513 59.582 59.018 0.085 0.000 1.729 198 C CB -1.045 26.741 27.740 0.076 0.000 1.739 198 C HN 0.471 nan 8.230 nan 0.000 0.570 199 M N 1.179 120.843 119.600 0.106 0.000 2.382 199 M HA 0.310 4.791 4.480 0.001 0.000 0.247 199 M C 1.315 177.673 176.300 0.098 0.000 1.104 199 M CA 0.111 55.475 55.300 0.107 0.000 1.030 199 M CB -1.009 31.660 32.600 0.115 0.000 1.424 199 M HN 0.462 nan 8.290 nan 0.000 0.486 200 A N 0.423 123.299 122.820 0.094 0.000 2.531 200 A HA 0.425 4.745 4.320 0.001 0.000 0.236 200 A C 1.479 179.112 177.584 0.081 0.000 1.062 200 A CA 0.960 53.049 52.037 0.086 0.000 0.760 200 A CB -0.459 18.594 19.000 0.089 0.000 0.995 200 A HN 0.870 nan 8.150 nan 0.000 0.501 201 G N 0.993 109.837 108.800 0.073 0.000 2.162 201 G HA2 -0.138 3.823 3.960 0.001 0.000 0.260 201 G HA3 -0.138 3.823 3.960 0.001 0.000 0.260 201 G C 0.539 175.479 174.900 0.066 0.000 0.976 201 G CA 1.397 46.537 45.100 0.067 0.000 0.655 201 G HN 2.326 nan 8.290 nan 0.000 0.533 202 T N -2.409 112.188 114.554 0.073 0.000 2.910 202 T HA 0.654 5.004 4.350 0.001 0.000 0.287 202 T C 1.796 176.543 174.700 0.078 0.000 1.050 202 T CA -0.092 62.053 62.100 0.076 0.000 1.011 202 T CB 1.549 70.468 68.868 0.085 0.000 1.195 202 T HN 1.137 nan 8.240 nan 0.000 0.540 203 L N -0.969 120.304 121.223 0.083 0.000 2.450 203 L HA 0.328 4.668 4.340 0.001 0.000 0.224 203 L C 1.669 178.606 176.870 0.113 0.000 1.149 203 L CA 1.387 56.282 54.840 0.093 0.000 0.816 203 L CB -0.784 41.339 42.059 0.106 0.000 0.932 203 L HN 0.787 nan 8.230 nan 0.000 0.449 204 G N 0.207 109.078 108.800 0.118 0.000 3.371 204 G HA2 0.309 4.270 3.960 0.001 0.000 0.248 204 G HA3 0.309 4.270 3.960 0.001 0.000 0.248 204 G C 0.744 175.718 174.900 0.124 0.000 1.161 204 G CA 0.119 45.300 45.100 0.134 0.000 0.796 204 G HN 0.507 nan 8.290 nan 0.000 0.539 205 G N 0.387 109.251 108.800 0.106 0.000 2.474 205 G HA2 0.286 4.246 3.960 0.001 0.000 0.233 205 G HA3 0.286 4.246 3.960 0.001 0.000 0.233 205 G C 0.199 175.173 174.900 0.123 0.000 1.278 205 G CA -0.442 44.720 45.100 0.104 0.000 0.861 205 G HN 0.381 nan 8.290 nan 0.000 0.567 206 L N 1.314 122.617 121.223 0.133 0.000 2.615 206 L HA 0.066 4.406 4.340 0.001 0.000 0.284 206 L C 0.634 177.604 176.870 0.166 0.000 1.237 206 L CA 0.021 54.962 54.840 0.169 0.000 0.905 206 L CB 0.125 42.276 42.059 0.153 0.000 1.149 206 L HN 0.657 nan 8.230 nan 0.000 0.499 207 H N 4.880 124.002 119.070 0.087 0.000 2.864 207 H HA 0.550 5.106 4.556 0.001 0.000 0.281 207 H C -0.441 174.902 175.328 0.026 0.000 1.093 207 H CA 0.182 56.227 56.048 -0.005 0.000 1.453 207 H CB 0.569 30.270 29.762 -0.100 0.000 1.462 207 H HN 0.690 nan 8.280 nan 0.000 0.480 208 A N 7.574 130.211 122.820 -0.304 0.000 3.159 208 A HA 0.319 4.639 4.320 0.001 0.000 0.330 208 A C -2.602 174.821 177.584 -0.268 0.000 1.032 208 A CA -1.348 50.563 52.037 -0.209 0.000 0.841 208 A CB -0.205 18.759 19.000 -0.061 0.000 1.093 208 A HN 0.590 nan 8.150 nan 0.000 0.478 209 P HA 0.316 nan 4.420 nan 0.000 0.270 209 P C 0.383 177.612 177.300 -0.119 0.000 1.223 209 P CA 0.042 62.990 63.100 -0.253 0.000 0.785 209 P CB 0.711 32.253 31.700 -0.262 0.000 0.923 210 A N 1.067 123.842 122.820 -0.075 0.000 2.565 210 A HA 0.386 4.706 4.320 0.001 0.000 0.237 210 A C 1.490 179.056 177.584 -0.030 0.000 1.053 210 A CA 0.820 52.832 52.037 -0.043 0.000 0.755 210 A CB -1.463 17.520 19.000 -0.029 0.000 0.980 210 A HN 0.947 nan 8.150 nan 0.000 0.506 211 G N 1.658 110.446 108.800 -0.020 0.000 2.176 211 G HA2 -0.213 3.748 3.960 0.001 0.000 0.253 211 G HA3 -0.213 3.748 3.960 0.001 0.000 0.253 211 G C 0.551 175.439 174.900 -0.020 0.000 0.979 211 G CA 0.393 45.487 45.100 -0.010 0.000 0.641 211 G HN 1.207 nan 8.290 nan 0.000 0.530 212 S N -0.091 115.589 115.700 -0.032 0.000 2.579 212 S HA 0.512 4.983 4.470 0.001 0.000 0.275 212 S C 0.645 175.208 174.600 -0.061 0.000 1.345 212 S CA 0.072 58.245 58.200 -0.046 0.000 1.031 212 S CB 0.948 64.121 63.200 -0.045 0.000 0.892 212 S HN 0.380 nan 8.310 nan 0.000 0.529 213 I N 2.742 123.250 120.570 -0.103 0.000 2.306 213 I HA 0.198 4.368 4.170 0.001 0.000 0.288 213 I C -0.567 175.450 176.117 -0.167 0.000 1.036 213 I CA -0.520 60.695 61.300 -0.141 0.000 1.221 213 I CB 0.852 38.733 38.000 -0.198 0.000 1.385 213 I HN 0.336 nan 8.210 nan 0.000 0.472 214 L N 9.298 130.459 121.223 -0.104 0.000 2.295 214 L HA 0.342 4.682 4.340 0.001 0.000 0.288 214 L C -0.237 176.576 176.870 -0.094 0.000 1.079 214 L CA -0.020 54.781 54.840 -0.066 0.000 0.830 214 L CB 0.784 42.845 42.059 0.003 0.000 1.200 214 L HN 0.251 nan 8.230 nan 0.000 0.438 215 V N 6.804 126.617 119.914 -0.168 0.000 2.583 215 V HA 0.361 4.481 4.120 0.001 0.000 0.287 215 V C 0.271 176.367 176.094 0.004 0.000 1.051 215 V CA -0.359 61.827 62.300 -0.190 0.000 1.010 215 V CB 1.182 32.702 31.823 -0.505 0.000 0.988 215 V HN 0.599 nan 8.190 nan 0.000 0.478 216 L N 5.035 126.280 121.223 0.038 0.000 2.410 216 L HA 0.727 5.067 4.340 0.001 0.000 0.270 216 L C -0.622 176.269 176.870 0.036 0.000 0.983 216 L CA -0.561 54.355 54.840 0.128 0.000 0.822 216 L CB 2.239 44.443 42.059 0.242 0.000 1.285 216 L HN 0.859 nan 8.230 nan 0.000 0.409 217 E N 0.967 121.118 120.200 -0.081 0.000 2.429 217 E HA 0.796 5.146 4.350 0.001 0.000 0.276 217 E C -1.713 174.599 176.600 -0.479 0.000 0.953 217 E CA -0.702 55.397 56.400 -0.501 0.000 0.787 217 E CB 2.800 32.434 29.700 -0.110 0.000 1.307 217 E HN 0.334 nan 8.360 nan 0.000 0.458 218 D N -0.418 119.522 120.400 -0.768 0.000 2.779 218 D HA 0.555 5.196 4.640 0.001 0.000 0.331 218 D C -1.793 174.400 176.300 -0.179 0.000 1.331 218 D CA -0.486 53.377 54.000 -0.229 0.000 0.866 218 D CB 2.189 43.014 40.800 0.040 0.000 1.409 218 D HN 0.379 nan 8.370 nan 0.000 0.486 219 V N -0.308 119.504 119.914 -0.170 0.000 2.851 219 V HA 0.590 4.711 4.120 0.001 0.000 0.307 219 V C 0.277 176.315 176.094 -0.093 0.000 1.129 219 V CA 0.612 62.799 62.300 -0.188 0.000 0.932 219 V CB 1.421 32.910 31.823 -0.558 0.000 1.024 219 V HN 0.961 nan 8.190 nan 0.000 0.426 220 G N 3.871 112.662 108.800 -0.015 0.000 2.176 220 G HA2 -0.137 3.823 3.960 0.001 0.000 0.252 220 G HA3 -0.137 3.823 3.960 0.001 0.000 0.252 220 G C -0.223 174.684 174.900 0.011 0.000 1.024 220 G CA 0.519 45.615 45.100 -0.006 0.000 0.755 220 G HN 0.789 nan 8.290 nan 0.000 0.507 221 E N 0.362 120.596 120.200 0.057 0.000 2.222 221 E HA 0.460 4.810 4.350 0.001 0.000 0.267 221 E C -2.383 174.271 176.600 0.089 0.000 0.884 221 E CA -2.038 54.387 56.400 0.041 0.000 0.764 221 E CB 2.257 31.981 29.700 0.041 0.000 1.169 221 E HN 0.162 nan 8.360 nan 0.000 0.413 222 P HA 0.032 nan 4.420 nan 0.000 0.272 222 P C 0.591 177.971 177.300 0.133 0.000 1.223 222 P CA -0.141 62.996 63.100 0.062 0.000 0.784 222 P CB 0.580 32.296 31.700 0.027 0.000 0.923 223 Y N 0.981 121.283 120.300 0.003 0.000 2.224 223 Y HA -0.210 4.340 4.550 0.001 0.000 0.289 223 Y C 2.547 178.427 175.900 -0.034 0.000 1.146 223 Y CA 1.325 59.424 58.100 -0.002 0.000 1.182 223 Y CB -2.026 36.458 38.460 0.041 0.000 0.983 223 Y HN 0.469 nan 8.280 nan 0.000 0.524 224 Y N 0.116 120.499 120.300 0.137 0.000 2.274 224 Y HA -0.142 4.408 4.550 0.001 0.000 0.290 224 Y C 2.490 178.403 175.900 0.023 0.000 1.145 224 Y CA 1.473 59.603 58.100 0.050 0.000 1.203 224 Y CB -0.865 37.608 38.460 0.021 0.000 0.984 224 Y HN -0.068 nan 8.280 nan 0.000 0.533 225 R N 0.753 120.774 120.500 -0.799 0.000 2.090 225 R HA -0.015 4.326 4.340 0.001 0.000 0.228 225 R C 2.082 178.257 176.300 -0.208 0.000 1.110 225 R CA 1.380 57.141 56.100 -0.566 0.000 0.973 225 R CB -0.303 29.631 30.300 -0.610 0.000 0.869 225 R HN 0.493 nan 8.270 nan 0.000 0.440 226 L N 0.455 121.597 121.223 -0.135 0.000 2.042 226 L HA -0.205 4.136 4.340 0.001 0.000 0.210 226 L C 2.579 179.324 176.870 -0.208 0.000 1.076 226 L CA 1.827 56.618 54.840 -0.081 0.000 0.749 226 L CB -0.556 41.477 42.059 -0.044 0.000 0.893 226 L HN 0.382 nan 8.230 nan 0.000 0.432 227 E N 0.433 120.496 120.200 -0.229 0.000 2.077 227 E HA -0.277 4.073 4.350 0.001 0.000 0.193 227 E C 2.385 178.894 176.600 -0.151 0.000 0.989 227 E CA 1.139 57.366 56.400 -0.288 0.000 0.800 227 E CB 0.020 29.648 29.700 -0.120 0.000 0.746 227 E HN 0.269 nan 8.360 nan 0.000 0.452 228 R N 0.042 120.514 120.500 -0.046 0.000 2.091 228 R HA -0.117 4.223 4.340 0.001 0.000 0.238 228 R C 2.380 178.712 176.300 0.054 0.000 1.136 228 R CA 1.821 57.935 56.100 0.022 0.000 0.959 228 R CB -0.143 30.174 30.300 0.028 0.000 0.856 228 R HN 0.090 nan 8.270 nan 0.000 0.437 229 S N 0.904 116.606 115.700 0.004 0.000 2.368 229 S HA -0.133 4.337 4.470 0.001 0.000 0.224 229 S C 1.701 176.319 174.600 0.030 0.000 1.029 229 S CA 1.028 59.250 58.200 0.037 0.000 0.988 229 S CB -0.256 62.966 63.200 0.038 0.000 0.838 229 S HN 0.267 nan 8.310 nan 0.000 0.462 230 L N 0.487 121.661 121.223 -0.082 0.000 2.056 230 L HA 0.013 4.354 4.340 0.001 0.000 0.207 230 L C 1.916 178.718 176.870 -0.112 0.000 1.078 230 L CA 1.598 56.335 54.840 -0.172 0.000 0.749 230 L CB -0.677 41.067 42.059 -0.524 0.000 0.901 230 L HN 0.492 nan 8.230 nan 0.000 0.433 231 W N 0.337 121.487 121.300 -0.250 0.000 2.335 231 W HA -0.298 4.362 4.660 0.001 0.000 0.311 231 W C 2.803 179.341 176.519 0.033 0.000 1.213 231 W CA 2.248 59.590 57.345 -0.005 0.000 1.274 231 W CB -0.216 29.292 29.460 0.081 0.000 1.148 231 W HN 0.371 nan 8.180 nan 0.000 0.498 232 Q N -0.012 120.037 119.800 0.416 0.000 2.030 232 Q HA -0.285 4.056 4.340 0.001 0.000 0.204 232 Q C 2.241 178.294 176.000 0.089 0.000 0.986 232 Q CA 2.171 58.153 55.803 0.298 0.000 0.843 232 Q CB -0.664 28.225 28.738 0.251 0.000 0.904 232 Q HN 0.387 nan 8.270 nan 0.000 0.420 233 L N 0.559 121.823 121.223 0.069 0.000 2.017 233 L HA -0.158 4.183 4.340 0.001 0.000 0.208 233 L C 2.150 179.019 176.870 -0.002 0.000 1.073 233 L CA 1.659 56.528 54.840 0.048 0.000 0.745 233 L CB -0.527 41.574 42.059 0.071 0.000 0.894 233 L HN 0.348 nan 8.230 nan 0.000 0.432 234 L N -0.886 120.314 121.223 -0.039 0.000 2.046 234 L HA -0.161 4.180 4.340 0.001 0.000 0.208 234 L C 2.621 179.403 176.870 -0.148 0.000 1.077 234 L CA 1.048 55.846 54.840 -0.070 0.000 0.747 234 L CB -0.765 41.263 42.059 -0.053 0.000 0.896 234 L HN 0.297 nan 8.230 nan 0.000 0.432 235 E N 0.185 120.213 120.200 -0.287 0.000 2.153 235 E HA -0.186 4.165 4.350 0.001 0.000 0.194 235 E C 2.337 178.839 176.600 -0.163 0.000 0.988 235 E CA 1.634 57.819 56.400 -0.358 0.000 0.811 235 E CB -0.101 29.184 29.700 -0.691 0.000 0.746 235 E HN 0.524 nan 8.360 nan 0.000 0.466 236 S N 0.253 115.903 115.700 -0.083 0.000 2.522 236 S HA -0.004 4.467 4.470 0.001 0.000 0.227 236 S C 1.328 175.921 174.600 -0.012 0.000 0.986 236 S CA 0.013 58.202 58.200 -0.020 0.000 0.929 236 S CB -0.527 62.687 63.200 0.024 0.000 0.769 236 S HN 0.290 nan 8.310 nan 0.000 0.529 237 I N -2.303 118.251 120.570 -0.026 0.000 3.237 237 I HA 0.598 4.769 4.170 0.001 0.000 0.308 237 I C -0.842 175.255 176.117 -0.034 0.000 1.093 237 I CA -1.080 60.209 61.300 -0.019 0.000 1.001 237 I CB 1.054 39.050 38.000 -0.006 0.000 1.245 237 I HN -0.254 nan 8.210 nan 0.000 0.485 238 D N 1.865 122.246 120.400 -0.032 0.000 2.619 238 D HA 0.380 5.020 4.640 0.001 0.000 0.224 238 D C 1.004 177.286 176.300 -0.031 0.000 1.133 238 D CA 0.129 54.108 54.000 -0.034 0.000 1.017 238 D CB 0.768 41.550 40.800 -0.032 0.000 1.077 238 D HN 0.664 nan 8.370 nan 0.000 0.503 239 A N 3.381 126.180 122.820 -0.035 0.000 1.933 239 A HA -0.149 4.172 4.320 0.001 0.000 0.218 239 A C 2.113 179.688 177.584 -0.016 0.000 1.175 239 A CA 0.835 52.857 52.037 -0.025 0.000 0.628 239 A CB -0.122 18.858 19.000 -0.034 0.000 0.814 239 A HN 0.442 nan 8.150 nan 0.000 0.444 240 R N -0.549 119.938 120.500 -0.021 0.000 2.237 240 R HA -0.062 4.278 4.340 0.001 0.000 0.219 240 R C 1.584 177.882 176.300 -0.003 0.000 1.080 240 R CA 1.074 57.167 56.100 -0.010 0.000 0.995 240 R CB -0.112 30.179 30.300 -0.016 0.000 0.875 240 R HN 0.641 nan 8.270 nan 0.000 0.462 241 Q N 0.183 119.978 119.800 -0.009 0.000 2.360 241 Q HA 0.146 4.486 4.340 0.001 0.000 0.202 241 Q C 0.086 176.083 176.000 -0.006 0.000 0.915 241 Q CA -0.079 55.720 55.803 -0.008 0.000 0.943 241 Q CB 0.430 29.157 28.738 -0.017 0.000 1.064 241 Q HN 0.289 nan 8.270 nan 0.000 0.511 242 L N -0.402 120.819 121.223 -0.003 0.000 2.483 242 L HA 0.003 4.343 4.340 0.001 0.000 0.275 242 L C 1.621 178.500 176.870 0.016 0.000 1.220 242 L CA 0.036 54.875 54.840 -0.002 0.000 0.833 242 L CB 0.406 42.465 42.059 0.001 0.000 1.102 242 L HN 0.164 nan 8.230 nan 0.000 0.490 243 G N 1.380 110.186 108.800 0.010 0.000 2.396 243 G HA2 0.307 4.268 3.960 0.001 0.000 0.214 243 G HA3 0.307 4.268 3.960 0.001 0.000 0.214 243 G C 0.317 175.241 174.900 0.039 0.000 1.166 243 G CA 0.879 45.998 45.100 0.032 0.000 0.793 243 G HN 0.776 nan 8.290 nan 0.000 0.533 244 A N -1.360 121.463 122.820 0.005 0.000 2.601 244 A HA 0.663 4.984 4.320 0.001 0.000 0.291 244 A C -1.725 175.859 177.584 -0.001 0.000 1.075 244 A CA -0.669 51.376 52.037 0.013 0.000 0.671 244 A CB 0.660 19.659 19.000 -0.003 0.000 1.277 244 A HN 0.132 nan 8.150 nan 0.000 0.417 245 I N 0.354 120.940 120.570 0.026 0.000 2.404 245 I HA 0.509 4.680 4.170 0.001 0.000 0.293 245 I C -0.595 175.536 176.117 0.022 0.000 0.992 245 I CA -0.478 60.834 61.300 0.019 0.000 1.149 245 I CB 1.783 39.815 38.000 0.052 0.000 1.315 245 I HN 0.633 nan 8.210 nan 0.000 0.446 246 C N 8.020 127.302 119.300 -0.030 0.000 2.344 246 C HA 0.519 4.979 4.460 0.001 0.000 0.326 246 C C -0.248 174.717 174.990 -0.042 0.000 1.201 246 C CA -0.639 58.359 59.018 -0.033 0.000 1.410 246 C CB -0.318 27.331 27.740 -0.151 0.000 2.070 246 C HN 0.656 nan 8.230 nan 0.000 0.445 247 L N 6.334 127.556 121.223 -0.003 0.000 2.331 247 L HA 0.482 4.823 4.340 0.001 0.000 0.278 247 L C 1.278 178.191 176.870 0.072 0.000 1.106 247 L CA 0.212 55.072 54.840 0.033 0.000 0.824 247 L CB 0.797 42.839 42.059 -0.029 0.000 1.142 247 L HN 0.865 nan 8.230 nan 0.000 0.443 248 G N 1.800 110.634 108.800 0.056 0.000 2.582 248 G HA2 0.319 4.280 3.960 0.001 0.000 0.232 248 G HA3 0.319 4.280 3.960 0.001 0.000 0.232 248 G C -0.039 174.901 174.900 0.066 0.000 1.458 248 G CA -0.263 44.864 45.100 0.046 0.000 1.062 248 G HN 0.644 nan 8.290 nan 0.000 0.566 249 S N -1.455 114.241 115.700 -0.006 0.000 2.617 249 S HA 0.586 5.057 4.470 0.001 0.000 0.269 249 S C -1.040 173.411 174.600 -0.249 0.000 1.292 249 S CA -0.462 57.758 58.200 0.034 0.000 1.010 249 S CB 1.128 64.364 63.200 0.061 0.000 0.944 249 S HN 0.276 nan 8.310 nan 0.000 0.536 250 F N 1.139 121.143 119.950 0.090 0.000 2.552 250 F HA 0.328 4.856 4.527 0.001 0.000 0.369 250 F C 0.769 176.634 175.800 0.108 0.000 1.112 250 F CA -0.602 57.453 58.000 0.093 0.000 1.129 250 F CB 1.489 40.527 39.000 0.063 0.000 1.360 250 F HN 0.782 nan 8.300 nan 0.000 0.473 251 T N -1.653 112.985 114.554 0.140 0.000 2.837 251 T HA 0.313 4.664 4.350 0.001 0.000 0.285 251 T C 0.203 174.971 174.700 0.113 0.000 0.984 251 T CA -0.575 61.602 62.100 0.129 0.000 1.049 251 T CB 1.446 70.388 68.868 0.123 0.000 0.947 251 T HN 0.579 nan 8.240 nan 0.000 0.472 252 D N 1.157 121.623 120.400 0.111 0.000 2.708 252 D HA -0.176 4.465 4.640 0.001 0.000 0.236 252 D C -0.484 175.883 176.300 0.111 0.000 1.146 252 D CA 0.383 54.438 54.000 0.090 0.000 0.662 252 D CB -1.541 39.294 40.800 0.058 0.000 1.059 252 D HN 0.739 nan 8.370 nan 0.000 0.428 253 C N 1.838 121.243 119.300 0.175 0.000 2.792 253 C HA 0.362 4.823 4.460 0.001 0.000 0.306 253 C C -1.820 173.323 174.990 0.254 0.000 1.462 253 C CA -1.292 57.872 59.018 0.244 0.000 1.640 253 C CB -0.555 27.401 27.740 0.359 0.000 2.434 253 C HN 0.330 nan 8.230 nan 0.000 0.538 254 P HA 0.009 nan 4.420 nan 0.000 0.265 254 P C 0.735 177.956 177.300 -0.132 0.000 1.187 254 P CA 0.429 63.556 63.100 0.044 0.000 0.766 254 P CB 0.926 32.634 31.700 0.014 0.000 0.820 255 R N 2.680 123.052 120.500 -0.213 0.000 2.115 255 R HA -0.119 4.222 4.340 0.001 0.000 0.230 255 R C 0.533 176.573 176.300 -0.433 0.000 1.111 255 R CA 1.008 56.746 56.100 -0.603 0.000 0.976 255 R CB -0.396 29.760 30.300 -0.240 0.000 0.870 255 R HN 0.401 nan 8.270 nan 0.000 0.445 256 K N 0.982 121.262 120.400 -0.201 0.000 3.156 256 K HA -0.207 4.113 4.320 0.001 0.000 0.266 256 K C -0.670 175.863 176.600 -0.112 0.000 0.966 256 K CA 0.869 57.082 56.287 -0.123 0.000 0.719 256 K CB -0.834 31.605 32.500 -0.103 0.000 1.333 256 K HN 0.435 nan 8.250 nan 0.000 0.468 257 E N -3.564 116.578 120.200 -0.097 0.000 3.801 257 E HA -0.216 4.134 4.350 0.001 0.000 0.319 257 E C 0.038 176.599 176.600 -0.065 0.000 0.784 257 E CA 1.253 57.616 56.400 -0.061 0.000 1.183 257 E CB -1.820 27.855 29.700 -0.042 0.000 1.601 257 E HN 0.347 nan 8.360 nan 0.000 0.441 258 V N 1.114 120.962 119.914 -0.109 0.000 2.694 258 V HA 0.091 4.212 4.120 0.001 0.000 0.306 258 V C 1.912 178.005 176.094 -0.002 0.000 1.054 258 V CA 1.231 63.490 62.300 -0.069 0.000 1.161 258 V CB 1.353 33.119 31.823 -0.094 0.000 0.916 258 V HN 0.429 nan 8.190 nan 0.000 0.490 259 A N 4.023 126.828 122.820 -0.024 0.000 2.066 259 A HA -0.003 4.318 4.320 0.001 0.000 0.218 259 A C 0.878 178.594 177.584 0.221 0.000 1.157 259 A CA 0.780 52.839 52.037 0.035 0.000 0.670 259 A CB -0.415 18.557 19.000 -0.046 0.000 0.804 259 A HN 0.932 nan 8.150 nan 0.000 0.453 260 H N -0.211 118.921 119.070 0.103 0.000 2.492 260 H HA 0.414 4.970 4.556 0.001 0.000 0.345 260 H C 0.220 175.661 175.328 0.189 0.000 1.136 260 H CA -0.448 55.669 56.048 0.115 0.000 1.202 260 H CB 1.519 31.341 29.762 0.099 0.000 1.524 260 H HN 0.366 nan 8.280 nan 0.000 0.506 261 S N 1.974 117.834 115.700 0.267 0.000 2.600 261 S HA -0.016 4.455 4.470 0.001 0.000 0.265 261 S C 1.230 175.904 174.600 0.124 0.000 1.325 261 S CA -0.700 57.643 58.200 0.239 0.000 1.002 261 S CB 0.981 64.263 63.200 0.135 0.000 0.921 261 S HN 0.485 nan 8.310 nan 0.000 0.554 262 L N 1.210 122.416 121.223 -0.028 0.000 2.083 262 L HA -0.015 4.325 4.340 0.001 0.000 0.209 262 L C 2.389 179.247 176.870 -0.019 0.000 1.083 262 L CA 1.907 56.603 54.840 -0.240 0.000 0.752 262 L CB -1.387 40.414 42.059 -0.429 0.000 0.899 262 L HN 0.833 nan 8.230 nan 0.000 0.433 263 E N -0.930 119.253 120.200 -0.030 0.000 2.077 263 E HA -0.230 4.121 4.350 0.001 0.000 0.193 263 E C 2.312 178.895 176.600 -0.028 0.000 0.989 263 E CA 1.260 57.623 56.400 -0.062 0.000 0.800 263 E CB -0.288 29.346 29.700 -0.110 0.000 0.746 263 E HN 0.372 nan 8.360 nan 0.000 0.452 264 R N 0.517 121.010 120.500 -0.012 0.000 2.073 264 R HA -0.105 4.235 4.340 0.001 0.000 0.234 264 R C 2.155 178.458 176.300 0.006 0.000 1.134 264 R CA 1.373 57.454 56.100 -0.032 0.000 0.952 264 R CB -0.285 29.974 30.300 -0.069 0.000 0.850 264 R HN 0.174 nan 8.270 nan 0.000 0.433 265 I N -0.018 120.577 120.570 0.041 0.000 2.142 265 I HA -0.270 3.900 4.170 0.001 0.000 0.240 265 I C 1.947 178.091 176.117 0.045 0.000 1.078 265 I CA 1.410 62.740 61.300 0.050 0.000 1.343 265 I CB -0.355 37.614 38.000 -0.053 0.000 1.046 265 I HN 0.130 nan 8.210 nan 0.000 0.405 266 F N 0.993 120.907 119.950 -0.060 0.000 2.171 266 F HA -0.133 4.395 4.527 0.001 0.000 0.300 266 F C 2.570 178.363 175.800 -0.012 0.000 1.090 266 F CA 1.553 59.518 58.000 -0.058 0.000 1.293 266 F CB -1.083 37.815 39.000 -0.171 0.000 1.013 266 F HN 0.038 nan 8.300 nan 0.000 0.486 267 G N -0.471 108.390 108.800 0.101 0.000 2.440 267 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 267 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 267 G C 1.527 176.434 174.900 0.012 0.000 1.154 267 G CA 0.892 45.994 45.100 0.004 0.000 0.767 267 G HN 0.349 nan 8.290 nan 0.000 0.552 268 E N -0.553 119.663 120.200 0.026 0.000 2.077 268 E HA -0.122 4.229 4.350 0.001 0.000 0.193 268 E C 2.205 178.768 176.600 -0.062 0.000 0.989 268 E CA 0.901 57.283 56.400 -0.030 0.000 0.800 268 E CB -0.211 29.460 29.700 -0.048 0.000 0.746 268 E HN 0.584 nan 8.360 nan 0.000 0.452 269 Y N 0.518 120.794 120.300 -0.040 0.000 2.200 269 Y HA -0.174 4.377 4.550 0.001 0.000 0.290 269 Y C 2.380 178.263 175.900 -0.028 0.000 1.137 269 Y CA 1.179 59.256 58.100 -0.038 0.000 1.163 269 Y CB -0.410 38.008 38.460 -0.068 0.000 0.988 269 Y HN 0.047 nan 8.280 nan 0.000 0.518 270 A N -0.148 122.749 122.820 0.128 0.000 1.930 270 A HA -0.110 4.211 4.320 0.001 0.000 0.217 270 A C 2.408 179.999 177.584 0.011 0.000 1.175 270 A CA 1.689 53.763 52.037 0.060 0.000 0.627 270 A CB -1.186 17.835 19.000 0.036 0.000 0.815 270 A HN 0.396 nan 8.150 nan 0.000 0.443 271 A N -0.157 122.657 122.820 -0.010 0.000 1.930 271 A HA 0.204 4.525 4.320 0.001 0.000 0.217 271 A C 2.420 179.986 177.584 -0.030 0.000 1.175 271 A CA 1.821 53.843 52.037 -0.024 0.000 0.627 271 A CB -0.877 18.100 19.000 -0.037 0.000 0.815 271 A HN 1.057 nan 8.150 nan 0.000 0.443 272 A N 0.252 123.040 122.820 -0.054 0.000 2.067 272 A HA 0.031 4.351 4.320 0.001 0.000 0.219 272 A C 1.843 179.399 177.584 -0.047 0.000 1.158 272 A CA 1.333 53.328 52.037 -0.070 0.000 0.661 272 A CB -0.708 18.210 19.000 -0.136 0.000 0.801 272 A HN 0.992 nan 8.150 nan 0.000 0.452 273 I N -5.065 115.489 120.570 -0.026 0.000 3.976 273 I HA 0.286 4.456 4.170 0.001 0.000 0.337 273 I C -0.098 176.021 176.117 0.004 0.000 1.359 273 I CA 0.170 61.461 61.300 -0.015 0.000 1.098 273 I CB -0.245 37.749 38.000 -0.010 0.000 1.027 273 I HN 0.198 nan 8.210 nan 0.000 0.394 274 E N 0.946 121.152 120.200 0.009 0.000 2.389 274 E HA -0.140 4.211 4.350 0.001 0.000 0.243 274 E C -0.684 175.950 176.600 0.057 0.000 1.154 274 E CA 0.127 56.547 56.400 0.033 0.000 0.723 274 E CB -1.393 28.328 29.700 0.035 0.000 1.261 274 E HN 0.418 nan 8.360 nan 0.000 0.390 275 V N 1.244 121.180 119.914 0.036 0.000 2.448 275 V HA 0.355 4.476 4.120 0.001 0.000 0.295 275 V C -1.591 174.496 176.094 -0.012 0.000 1.025 275 V CA -1.604 60.717 62.300 0.034 0.000 0.859 275 V CB 1.656 33.497 31.823 0.030 0.000 0.988 275 V HN 0.051 nan 8.190 nan 0.000 0.431 276 P HA 0.239 nan 4.420 nan 0.000 0.272 276 P C -1.049 176.199 177.300 -0.086 0.000 1.223 276 P CA -0.356 62.647 63.100 -0.160 0.000 0.784 276 P CB 1.501 33.000 31.700 -0.336 0.000 0.923 277 L N 3.201 124.276 121.223 -0.247 0.000 2.356 277 L HA 0.486 4.826 4.340 0.001 0.000 0.277 277 L C -1.176 175.426 176.870 -0.446 0.000 0.996 277 L CA -0.865 53.842 54.840 -0.222 0.000 0.822 277 L CB 0.892 42.813 42.059 -0.231 0.000 1.256 277 L HN 0.266 nan 8.230 nan 0.000 0.413 278 Y N 3.772 123.938 120.300 -0.223 0.000 2.587 278 Y HA 0.728 5.278 4.550 0.001 0.000 0.337 278 Y C 0.039 175.904 175.900 -0.058 0.000 1.065 278 Y CA -0.523 57.491 58.100 -0.142 0.000 1.126 278 Y CB 1.731 40.147 38.460 -0.073 0.000 1.279 278 Y HN 0.742 nan 8.280 nan 0.000 0.489 279 H N -1.826 117.208 119.070 -0.061 0.000 2.928 279 H HA 0.356 4.913 4.556 0.001 0.000 0.285 279 H C -0.710 174.599 175.328 -0.032 0.000 1.438 279 H CA -1.613 54.356 56.048 -0.131 0.000 1.176 279 H CB 0.762 30.336 29.762 -0.313 0.000 1.864 279 H HN 0.765 nan 8.280 nan 0.000 0.567 280 H N -1.696 117.288 119.070 -0.144 0.000 2.992 280 H HA -0.157 4.399 4.556 0.001 0.000 0.266 280 H C -0.179 175.112 175.328 -0.062 0.000 1.200 280 H CA 0.514 56.448 56.048 -0.189 0.000 1.135 280 H CB -2.083 27.476 29.762 -0.338 0.000 1.282 280 H HN 0.536 nan 8.280 nan 0.000 0.351 281 L N 3.383 124.657 121.223 0.085 0.000 2.455 281 L HA 0.254 4.594 4.340 0.001 0.000 0.272 281 L C -1.467 175.438 176.870 0.058 0.000 1.174 281 L CA -0.926 53.939 54.840 0.043 0.000 0.869 281 L CB 0.658 42.703 42.059 -0.024 0.000 1.130 281 L HN -0.130 nan 8.230 nan 0.000 0.474 282 P HA 0.104 nan 4.420 nan 0.000 0.225 282 P C -1.016 176.333 177.300 0.082 0.000 1.813 282 P CA -0.092 63.041 63.100 0.055 0.000 1.013 282 P CB 0.342 32.066 31.700 0.040 0.000 1.961 283 S N 1.047 116.806 115.700 0.098 0.000 2.575 283 S HA 0.791 5.261 4.470 0.001 0.000 0.278 283 S C -0.265 174.406 174.600 0.120 0.000 1.139 283 S CA 0.024 58.318 58.200 0.158 0.000 0.954 283 S CB 1.203 64.596 63.200 0.322 0.000 1.054 283 S HN 0.540 nan 8.310 nan 0.000 0.483 284 G N 3.356 112.196 108.800 0.067 0.000 2.334 284 G HA2 0.090 4.051 3.960 0.001 0.000 0.249 284 G HA3 0.090 4.051 3.960 0.001 0.000 0.249 284 G C -0.614 174.302 174.900 0.027 0.000 1.327 284 G CA -0.487 44.686 45.100 0.122 0.000 0.979 284 G HN 0.672 nan 8.290 nan 0.000 0.471 285 H N 0.250 119.413 119.070 0.154 0.000 2.539 285 H HA 0.382 4.938 4.556 0.001 0.000 0.267 285 H C 1.815 177.205 175.328 0.103 0.000 0.982 285 H CA 1.062 57.237 56.048 0.211 0.000 1.146 285 H CB 0.249 30.125 29.762 0.189 0.000 1.382 285 H HN 0.664 nan 8.280 nan 0.000 0.577 286 G N -0.529 108.354 108.800 0.139 0.000 2.553 286 G HA2 0.283 4.243 3.960 0.001 0.000 0.278 286 G HA3 0.283 4.243 3.960 0.001 0.000 0.278 286 G C 1.258 176.178 174.900 0.034 0.000 1.349 286 G CA 0.020 45.171 45.100 0.085 0.000 1.037 286 G HN 0.366 nan 8.290 nan 0.000 0.508 287 A N -1.308 121.530 122.820 0.030 0.000 1.978 287 A HA -0.030 4.290 4.320 0.001 0.000 0.220 287 A C 1.675 179.251 177.584 -0.014 0.000 1.170 287 A CA 1.567 53.611 52.037 0.011 0.000 0.636 287 A CB -0.463 18.550 19.000 0.021 0.000 0.810 287 A HN 0.595 nan 8.150 nan 0.000 0.448 288 Q N 0.476 120.271 119.800 -0.010 0.000 2.344 288 Q HA 0.244 4.585 4.340 0.001 0.000 0.253 288 Q C -1.127 174.846 176.000 -0.045 0.000 1.050 288 Q CA -0.181 55.612 55.803 -0.017 0.000 0.912 288 Q CB -0.007 28.730 28.738 -0.001 0.000 1.258 288 Q HN 0.370 nan 8.270 nan 0.000 0.443 289 N N 3.757 122.405 118.700 -0.087 0.000 2.716 289 N HA 0.143 4.883 4.740 0.001 0.000 0.245 289 N C -1.666 173.769 175.510 -0.125 0.000 1.495 289 N CA -0.439 52.513 53.050 -0.164 0.000 0.759 289 N CB 0.495 38.736 38.487 -0.410 0.000 1.261 289 N HN 0.432 nan 8.380 nan 0.000 0.515 290 R N 0.666 121.162 120.500 -0.007 0.000 2.438 290 R HA 0.473 4.814 4.340 0.001 0.000 0.287 290 R C 0.268 176.601 176.300 0.055 0.000 1.077 290 R CA -0.417 55.699 56.100 0.027 0.000 1.034 290 R CB 0.252 30.608 30.300 0.094 0.000 0.993 290 R HN 0.461 nan 8.270 nan 0.000 0.459 291 A N 4.667 127.459 122.820 -0.046 0.000 2.445 291 A HA 0.340 4.660 4.320 0.001 0.000 0.242 291 A C -0.226 177.347 177.584 -0.018 0.000 1.075 291 A CA -0.215 51.734 52.037 -0.147 0.000 0.777 291 A CB 0.236 19.096 19.000 -0.234 0.000 1.013 291 A HN 0.767 nan 8.150 nan 0.000 0.493 292 W N 0.780 121.958 121.300 -0.202 0.000 3.033 292 W HA 0.570 5.230 4.660 0.000 0.000 0.336 292 W C -3.249 172.963 176.519 -0.512 0.000 1.173 292 W CA -2.747 54.289 57.345 -0.514 0.000 1.185 292 W CB 1.290 30.523 29.460 -0.379 0.000 1.425 292 W HN 0.426 nan 8.180 nan 0.000 0.536 293 P HA 0.095 nan 4.420 nan 0.000 0.287 293 P C -1.191 176.051 177.300 -0.097 0.000 1.307 293 P CA 0.248 63.123 63.100 -0.375 0.000 0.777 293 P CB 0.761 32.103 31.700 -0.597 0.000 0.883 294 Y N 3.228 123.444 120.300 -0.139 0.000 2.359 294 Y HA 0.380 4.931 4.550 0.001 0.000 0.334 294 Y C 1.619 177.436 175.900 -0.138 0.000 1.058 294 Y CA 1.572 59.655 58.100 -0.030 0.000 1.244 294 Y CB 0.367 38.759 38.460 -0.113 0.000 1.187 294 Y HN 0.812 nan 8.280 nan 0.000 0.510 295 G N 4.031 112.490 108.800 -0.568 0.000 2.176 295 G HA2 -0.322 3.638 3.960 0.001 0.000 0.253 295 G HA3 -0.322 3.638 3.960 0.001 0.000 0.253 295 G C 0.136 174.811 174.900 -0.374 0.000 0.979 295 G CA 0.233 44.813 45.100 -0.866 0.000 0.641 295 G HN 0.659 nan 8.290 nan 0.000 0.530 296 K N 1.181 121.453 120.400 -0.214 0.000 2.143 296 K HA 0.539 4.860 4.320 0.001 0.000 0.272 296 K C 0.493 177.054 176.600 -0.066 0.000 1.001 296 K CA -0.153 56.074 56.287 -0.102 0.000 0.915 296 K CB 0.478 32.912 32.500 -0.109 0.000 1.047 296 K HN 0.038 nan 8.250 nan 0.000 0.458 297 T N 2.170 116.723 114.554 -0.002 0.000 2.928 297 T HA 0.301 4.651 4.350 0.001 0.000 0.305 297 T C -0.330 174.413 174.700 0.071 0.000 1.035 297 T CA -0.032 62.081 62.100 0.022 0.000 1.145 297 T CB 0.886 69.777 68.868 0.038 0.000 0.963 297 T HN 0.668 nan 8.240 nan 0.000 0.545 298 A N 2.672 125.520 122.820 0.047 0.000 2.569 298 A HA 0.805 5.125 4.320 0.001 0.000 0.290 298 A C -1.177 176.416 177.584 0.015 0.000 1.136 298 A CA -0.732 51.360 52.037 0.093 0.000 0.710 298 A CB 1.613 20.696 19.000 0.138 0.000 1.303 298 A HN 0.622 nan 8.150 nan 0.000 0.413 299 V N 0.898 120.812 119.914 0.000 0.000 2.531 299 V HA 0.410 4.531 4.120 0.001 0.000 0.301 299 V C -0.689 175.345 176.094 -0.099 0.000 1.034 299 V CA -0.258 62.015 62.300 -0.045 0.000 0.865 299 V CB 1.414 33.220 31.823 -0.029 0.000 0.995 299 V HN 0.701 nan 8.190 nan 0.000 0.424 300 L N 4.634 125.759 121.223 -0.163 0.000 2.265 300 L HA 0.656 4.997 4.340 0.001 0.000 0.288 300 L C -0.015 176.768 176.870 -0.144 0.000 1.058 300 L CA 0.227 54.898 54.840 -0.283 0.000 0.809 300 L CB 1.031 42.704 42.059 -0.642 0.000 1.179 300 L HN 0.744 nan 8.230 nan 0.000 0.429 301 E N 2.348 122.503 120.200 -0.074 0.000 2.347 301 E HA 0.436 4.786 4.350 0.001 0.000 0.285 301 E C 0.448 177.073 176.600 0.041 0.000 0.925 301 E CA 0.095 56.502 56.400 0.012 0.000 0.779 301 E CB 1.545 31.240 29.700 -0.008 0.000 1.233 301 E HN 0.611 nan 8.360 nan 0.000 0.414 302 G N 4.276 113.124 108.800 0.080 0.000 2.702 302 G HA2 -0.417 3.544 3.960 0.001 0.000 0.342 302 G HA3 -0.417 3.544 3.960 0.001 0.000 0.342 302 G C 0.516 175.501 174.900 0.142 0.000 1.258 302 G CA 1.018 46.171 45.100 0.088 0.000 0.990 302 G HN 0.605 nan 8.290 nan 0.000 0.548 303 N N 1.474 120.227 118.700 0.087 0.000 2.321 303 N HA 0.322 5.062 4.740 0.001 0.000 0.242 303 N C 0.116 175.654 175.510 0.047 0.000 1.141 303 N CA 0.082 53.187 53.050 0.092 0.000 0.864 303 N CB 0.400 38.930 38.487 0.071 0.000 1.100 303 N HN 0.344 nan 8.380 nan 0.000 0.510 304 R N 0.063 120.571 120.500 0.013 0.000 2.740 304 R HA 0.419 4.760 4.340 0.001 0.000 0.273 304 R C -1.452 174.797 176.300 -0.087 0.000 0.998 304 R CA -0.914 55.162 56.100 -0.040 0.000 0.900 304 R CB 1.495 31.757 30.300 -0.064 0.000 1.223 304 R HN -0.014 nan 8.270 nan 0.000 0.466 305 L N 1.565 122.728 121.223 -0.100 0.000 2.298 305 L HA 0.542 4.882 4.340 0.001 0.000 0.284 305 L C -0.535 176.261 176.870 -0.122 0.000 1.013 305 L CA -0.144 54.635 54.840 -0.101 0.000 0.824 305 L CB 0.940 42.956 42.059 -0.072 0.000 1.221 305 L HN 0.579 nan 8.230 nan 0.000 0.418 306 R N 3.990 124.425 120.500 -0.109 0.000 2.575 306 R HA 0.420 4.761 4.340 0.001 0.000 0.293 306 R C -0.745 175.531 176.300 -0.039 0.000 0.983 306 R CA -0.501 55.461 56.100 -0.230 0.000 0.887 306 R CB 0.949 31.133 30.300 -0.194 0.000 1.184 306 R HN 0.837 nan 8.270 nan 0.000 0.445 307 W N 3.288 124.610 121.300 0.037 0.000 2.868 307 W HA 0.499 5.160 4.660 0.000 0.000 0.320 307 W C 0.425 177.027 176.519 0.138 0.000 1.076 307 W CA 0.260 57.636 57.345 0.052 0.000 1.576 307 W CB 0.019 29.498 29.460 0.032 0.000 1.030 307 W HN 0.890 nan 8.180 nan 0.000 0.558 308 G N 0.000 108.821 108.800 0.034 0.000 5.446 308 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 308 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 308 G CA 0.000 45.310 45.100 0.350 0.000 0.502 308 G HN 0.000 nan 8.290 nan 0.000 0.925