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 3d9f_1_C DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMAAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLRRR QMQRVMALED YEPWAATYGS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.002 176.094 -0.154 0.000 1.182 2 V CA 0.000 62.223 62.300 -0.129 0.000 1.235 2 V CB 0.000 31.739 31.823 -0.140 0.000 1.184 3 D N 2.145 122.370 120.400 -0.292 0.000 2.753 3 D HA 0.731 5.371 4.640 -0.000 0.000 0.224 3 D C -0.555 175.504 176.300 -0.401 0.000 1.213 3 D CA -0.353 53.519 54.000 -0.213 0.000 0.833 3 D CB 2.073 42.819 40.800 -0.091 0.000 1.607 3 D HN 0.499 nan 8.370 nan 0.000 0.463 4 F N 0.630 120.627 119.950 0.079 0.000 2.746 4 F HA 0.338 4.865 4.527 -0.000 0.000 0.320 4 F C 0.659 176.544 175.800 0.143 0.000 1.097 4 F CA -0.484 57.603 58.000 0.145 0.000 1.195 4 F CB 0.620 39.701 39.000 0.136 0.000 1.056 4 F HN -0.065 nan 8.300 nan 0.000 0.562 5 K N 2.000 122.517 120.400 0.194 0.000 2.298 5 K HA 0.380 4.700 4.320 -0.000 0.000 0.280 5 K C -0.333 176.308 176.600 0.067 0.000 1.032 5 K CA -0.171 56.195 56.287 0.133 0.000 0.958 5 K CB 1.006 33.558 32.500 0.086 0.000 0.978 5 K HN 0.083 nan 8.250 nan 0.000 0.472 6 L N 2.654 123.912 121.223 0.058 0.000 2.326 6 L HA 0.147 4.487 4.340 -0.000 0.000 0.278 6 L C 0.746 177.599 176.870 -0.028 0.000 1.092 6 L CA -0.487 54.339 54.840 -0.024 0.000 0.810 6 L CB 1.280 43.334 42.059 -0.009 0.000 1.153 6 L HN 0.753 nan 8.230 nan 0.000 0.439 7 S N 2.448 118.108 115.700 -0.067 0.000 2.600 7 S HA 0.232 4.702 4.470 -0.000 0.000 0.265 7 S C -1.818 172.769 174.600 -0.021 0.000 1.325 7 S CA -1.086 57.094 58.200 -0.033 0.000 1.002 7 S CB 0.882 64.065 63.200 -0.028 0.000 0.921 7 S HN 0.423 nan 8.310 nan 0.000 0.554 8 P HA -0.156 nan 4.420 nan 0.000 0.217 8 P C 1.719 179.034 177.300 0.024 0.000 1.151 8 P CA 1.867 64.977 63.100 0.017 0.000 0.849 8 P CB -0.222 31.491 31.700 0.023 0.000 0.787 9 S N -1.732 113.993 115.700 0.041 0.000 2.461 9 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 9 S C 1.963 176.605 174.600 0.071 0.000 1.005 9 S CA 0.624 58.879 58.200 0.092 0.000 0.942 9 S CB -0.855 62.440 63.200 0.159 0.000 0.776 9 S HN 0.187 nan 8.310 nan 0.000 0.514 10 Q N 0.737 120.470 119.800 -0.112 0.000 2.096 10 Q HA 0.209 4.549 4.340 -0.000 0.000 0.197 10 Q C 2.187 178.129 176.000 -0.098 0.000 0.964 10 Q CA 1.226 56.846 55.803 -0.306 0.000 0.838 10 Q CB -0.366 28.087 28.738 -0.474 0.000 0.906 10 Q HN 0.512 nan 8.270 nan 0.000 0.444 11 L N 0.619 121.820 121.223 -0.037 0.000 2.042 11 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 11 L C 2.442 179.343 176.870 0.052 0.000 1.076 11 L CA 1.215 56.069 54.840 0.022 0.000 0.749 11 L CB -0.313 41.764 42.059 0.030 0.000 0.893 11 L HN 0.239 nan 8.230 nan 0.000 0.432 12 E N 0.582 120.814 120.200 0.054 0.000 2.106 12 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 12 E C 2.094 178.763 176.600 0.114 0.000 0.984 12 E CA 1.406 57.855 56.400 0.082 0.000 0.806 12 E CB -0.091 29.649 29.700 0.068 0.000 0.750 12 E HN 0.346 nan 8.360 nan 0.000 0.458 13 A N 0.990 123.870 122.820 0.100 0.000 1.933 13 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 13 A C 2.308 179.986 177.584 0.157 0.000 1.175 13 A CA 1.674 53.786 52.037 0.125 0.000 0.628 13 A CB -0.613 18.471 19.000 0.139 0.000 0.814 13 A HN 0.277 nan 8.150 nan 0.000 0.444 14 R N -0.539 120.031 120.500 0.117 0.000 2.070 14 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 14 R C 2.501 178.889 176.300 0.147 0.000 1.138 14 R CA 1.631 57.809 56.100 0.130 0.000 0.936 14 R CB -0.377 29.987 30.300 0.107 0.000 0.839 14 R HN 0.522 nan 8.270 nan 0.000 0.429 15 R N -0.513 120.068 120.500 0.135 0.000 2.113 15 R HA -0.263 4.077 4.340 -0.000 0.000 0.244 15 R C 2.290 178.689 176.300 0.164 0.000 1.142 15 R CA 2.410 58.589 56.100 0.131 0.000 0.953 15 R CB -0.588 29.782 30.300 0.117 0.000 0.860 15 R HN 0.476 nan 8.270 nan 0.000 0.438 16 H N -0.353 118.781 119.070 0.106 0.000 2.353 16 H HA -0.036 4.519 4.556 -0.000 0.000 0.300 16 H C 1.823 177.248 175.328 0.162 0.000 1.090 16 H CA 2.165 58.292 56.048 0.133 0.000 1.327 16 H CB -0.129 29.701 29.762 0.113 0.000 1.383 16 H HN 0.384 nan 8.280 nan 0.000 0.508 17 A N 0.529 123.510 122.820 0.269 0.000 1.877 17 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 17 A C 2.287 179.973 177.584 0.170 0.000 1.186 17 A CA 1.737 53.909 52.037 0.224 0.000 0.620 17 A CB -0.563 18.571 19.000 0.223 0.000 0.822 17 A HN 0.675 nan 8.150 nan 0.000 0.443 18 Q N -0.530 119.350 119.800 0.134 0.000 2.050 18 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 18 Q C 2.454 178.487 176.000 0.055 0.000 0.980 18 Q CA 1.417 57.275 55.803 0.092 0.000 0.840 18 Q CB -0.442 28.346 28.738 0.084 0.000 0.898 18 Q HN 0.666 nan 8.270 nan 0.000 0.424 19 A N 0.914 123.763 122.820 0.049 0.000 1.908 19 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 19 A C 1.907 179.483 177.584 -0.014 0.000 1.181 19 A CA 1.349 53.398 52.037 0.020 0.000 0.627 19 A CB -0.832 18.187 19.000 0.031 0.000 0.818 19 A HN 0.450 nan 8.150 nan 0.000 0.445 20 F N 0.952 120.786 119.950 -0.193 0.000 2.134 20 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 20 F C 2.457 178.161 175.800 -0.160 0.000 1.097 20 F CA 1.207 59.032 58.000 -0.293 0.000 1.264 20 F CB -0.425 38.329 39.000 -0.410 0.000 1.001 20 F HN 0.243 nan 8.300 nan 0.000 0.479 21 A N 0.375 123.115 122.820 -0.132 0.000 1.873 21 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 21 A C 1.982 179.453 177.584 -0.189 0.000 1.186 21 A CA 1.917 53.847 52.037 -0.178 0.000 0.616 21 A CB -1.156 17.844 19.000 -0.000 0.000 0.823 21 A HN 0.592 nan 8.150 nan 0.000 0.442 22 N N -0.558 118.074 118.700 -0.113 0.000 2.142 22 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 22 N C 1.836 177.280 175.510 -0.110 0.000 1.023 22 N CA 1.905 54.901 53.050 -0.089 0.000 0.852 22 N CB -0.208 38.254 38.487 -0.042 0.000 0.998 22 N HN 0.680 nan 8.380 nan 0.000 0.424 23 T N -2.638 111.836 114.554 -0.134 0.000 3.035 23 T HA 0.136 4.486 4.350 -0.000 0.000 0.259 23 T C 1.691 176.302 174.700 -0.149 0.000 1.078 23 T CA 0.377 62.413 62.100 -0.106 0.000 1.132 23 T CB -0.001 68.835 68.868 -0.052 0.000 0.900 23 T HN -0.077 nan 8.240 nan 0.000 0.480 24 V N 0.124 119.844 119.914 -0.324 0.000 2.911 24 V HA 0.291 4.411 4.120 -0.000 0.000 0.237 24 V C 2.276 178.248 176.094 -0.204 0.000 1.156 24 V CA 0.174 62.285 62.300 -0.314 0.000 1.180 24 V CB -0.055 31.351 31.823 -0.695 0.000 0.932 24 V HN 0.243 nan 8.190 nan 0.000 0.483 25 L N 1.272 122.251 121.223 -0.407 0.000 2.156 25 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 25 L C 2.764 179.485 176.870 -0.249 0.000 1.095 25 L CA 2.520 57.179 54.840 -0.302 0.000 0.770 25 L CB -1.285 40.613 42.059 -0.268 0.000 0.914 25 L HN 0.620 nan 8.230 nan 0.000 0.439 26 T N -3.660 110.782 114.554 -0.187 0.000 2.946 26 T HA -0.217 4.133 4.350 -0.000 0.000 0.271 26 T C 1.682 176.286 174.700 -0.160 0.000 1.104 26 T CA 1.212 63.223 62.100 -0.149 0.000 1.114 26 T CB -0.267 68.536 68.868 -0.108 0.000 0.867 26 T HN 0.270 nan 8.240 nan 0.000 0.513 27 K N 0.549 120.860 120.400 -0.148 0.000 2.367 27 K HA 0.518 4.838 4.320 -0.000 0.000 0.194 27 K C 2.488 178.912 176.600 -0.292 0.000 1.027 27 K CA 0.410 56.650 56.287 -0.078 0.000 1.075 27 K CB 0.060 32.660 32.500 0.167 0.000 0.845 27 K HN 0.368 nan 8.250 nan 0.000 0.529 28 A N 0.903 123.262 122.820 -0.768 0.000 1.898 28 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 28 A C 2.206 179.414 177.584 -0.625 0.000 1.181 28 A CA 1.828 53.162 52.037 -1.171 0.000 0.620 28 A CB -0.632 17.779 19.000 -0.982 0.000 0.819 28 A HN 0.229 nan 8.150 nan 0.000 0.442 29 S N -0.228 115.086 115.700 -0.643 0.000 2.370 29 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 29 S C 2.188 176.360 174.600 -0.714 0.000 1.033 29 S CA 1.645 59.215 58.200 -1.049 0.000 1.011 29 S CB -0.508 62.360 63.200 -0.554 0.000 0.852 29 S HN 0.862 nan 8.310 nan 0.000 0.457 30 A N 1.242 123.835 122.820 -0.378 0.000 1.986 30 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 30 A C 2.087 179.570 177.584 -0.168 0.000 1.171 30 A CA 1.840 53.748 52.037 -0.215 0.000 0.640 30 A CB -0.496 18.437 19.000 -0.111 0.000 0.811 30 A HN 0.582 nan 8.150 nan 0.000 0.451 31 E N -1.046 119.063 120.200 -0.152 0.000 2.075 31 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 31 E C 1.928 178.532 176.600 0.006 0.000 0.969 31 E CA 1.542 57.939 56.400 -0.005 0.000 0.815 31 E CB -0.669 29.137 29.700 0.178 0.000 0.776 31 E HN 0.975 nan 8.360 nan 0.000 0.457 32 Y N -0.197 120.093 120.300 -0.017 0.000 2.420 32 Y HA 0.242 4.792 4.550 -0.000 0.000 0.292 32 Y C 2.216 178.114 175.900 -0.005 0.000 1.119 32 Y CA 0.686 58.785 58.100 -0.002 0.000 1.229 32 Y CB -0.320 38.137 38.460 -0.005 0.000 1.026 32 Y HN -0.213 nan 8.280 nan 0.000 0.554 33 S N 0.109 115.699 115.700 -0.184 0.000 2.419 33 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 33 S C 1.832 176.431 174.600 -0.002 0.000 1.016 33 S CA 1.675 59.833 58.200 -0.069 0.000 0.974 33 S CB -0.531 62.541 63.200 -0.213 0.000 0.786 33 S HN 0.629 nan 8.310 nan 0.000 0.492 34 T N 1.767 116.311 114.554 -0.017 0.000 3.160 34 T HA 0.088 4.438 4.350 -0.000 0.000 0.257 34 T C 0.478 175.197 174.700 0.032 0.000 1.147 34 T CA 0.451 62.551 62.100 0.001 0.000 1.064 34 T CB -0.032 68.827 68.868 -0.014 0.000 0.949 34 T HN 0.220 nan 8.240 nan 0.000 0.526 35 Q N 0.725 120.565 119.800 0.067 0.000 2.205 35 Q HA 0.313 4.653 4.340 -0.000 0.000 0.249 35 Q C 1.008 177.049 176.000 0.067 0.000 0.948 35 Q CA -0.304 55.542 55.803 0.073 0.000 0.895 35 Q CB 1.615 30.413 28.738 0.100 0.000 1.249 35 Q HN 0.416 nan 8.270 nan 0.000 0.458 36 K N -0.471 119.962 120.400 0.055 0.000 2.262 36 K HA 0.030 4.350 4.320 -0.000 0.000 0.200 36 K C 0.176 176.805 176.600 0.048 0.000 1.049 36 K CA 0.826 57.140 56.287 0.044 0.000 0.979 36 K CB 0.314 32.834 32.500 0.035 0.000 0.773 36 K HN 0.558 nan 8.250 nan 0.000 0.474 37 D N -0.784 119.651 120.400 0.058 0.000 2.626 37 D HA -0.012 4.628 4.640 -0.000 0.000 0.278 37 D C 0.414 176.757 176.300 0.073 0.000 1.211 37 D CA -0.738 53.297 54.000 0.058 0.000 0.903 37 D CB 1.192 42.022 40.800 0.051 0.000 1.408 37 D HN -0.094 nan 8.370 nan 0.000 0.454 38 Q N -0.424 119.418 119.800 0.070 0.000 2.061 38 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 38 Q C 1.937 178.007 176.000 0.118 0.000 0.984 38 Q CA 1.901 57.751 55.803 0.079 0.000 0.846 38 Q CB -0.472 28.302 28.738 0.060 0.000 0.902 38 Q HN 0.499 nan 8.270 nan 0.000 0.421 39 L N -0.211 121.077 121.223 0.108 0.000 2.017 39 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 39 L C 2.101 179.064 176.870 0.156 0.000 1.073 39 L CA 2.279 57.193 54.840 0.124 0.000 0.745 39 L CB -0.790 41.259 42.059 -0.016 0.000 0.894 39 L HN 0.189 nan 8.230 nan 0.000 0.432 40 S N -0.489 115.271 115.700 0.100 0.000 2.382 40 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 40 S C 1.984 176.661 174.600 0.128 0.000 1.027 40 S CA 1.250 59.505 58.200 0.091 0.000 0.991 40 S CB -0.386 62.853 63.200 0.067 0.000 0.823 40 S HN 0.454 nan 8.310 nan 0.000 0.469 41 R N 0.058 120.646 120.500 0.147 0.000 2.081 41 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 41 R C 2.105 178.522 176.300 0.195 0.000 1.131 41 R CA 1.459 57.657 56.100 0.164 0.000 0.960 41 R CB -0.506 29.862 30.300 0.113 0.000 0.856 41 R HN 0.418 nan 8.270 nan 0.000 0.436 42 F N 2.283 122.278 119.950 0.076 0.000 2.095 42 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 42 F C 2.146 178.115 175.800 0.281 0.000 1.104 42 F CA 1.675 59.760 58.000 0.142 0.000 1.232 42 F CB -0.280 38.779 39.000 0.099 0.000 0.987 42 F HN -0.026 nan 8.300 nan 0.000 0.475 43 Q N -0.120 119.753 119.800 0.122 0.000 2.124 43 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 43 Q C 2.252 178.219 176.000 -0.055 0.000 0.977 43 Q CA 1.375 57.174 55.803 -0.008 0.000 0.850 43 Q CB -0.501 28.260 28.738 0.038 0.000 0.901 43 Q HN 0.509 nan 8.270 nan 0.000 0.429 44 A N -0.059 122.794 122.820 0.055 0.000 2.239 44 A HA -0.065 4.255 4.320 -0.000 0.000 0.209 44 A C 1.867 179.572 177.584 0.201 0.000 1.171 44 A CA 1.038 53.138 52.037 0.105 0.000 0.768 44 A CB -0.190 18.901 19.000 0.152 0.000 0.790 44 A HN 0.194 nan 8.150 nan 0.000 0.478 45 T N -1.277 113.371 114.554 0.155 0.000 3.057 45 T HA 0.027 4.377 4.350 -0.000 0.000 0.254 45 T C 1.922 176.742 174.700 0.200 0.000 1.094 45 T CA 0.612 62.871 62.100 0.265 0.000 1.088 45 T CB -0.193 68.798 68.868 0.204 0.000 0.934 45 T HN 0.617 nan 8.240 nan 0.000 0.497 46 R N 1.454 121.811 120.500 -0.238 0.000 2.096 46 R HA -0.101 4.239 4.340 -0.000 0.000 0.240 46 R C -1.001 175.124 176.300 -0.292 0.000 1.139 46 R CA 1.729 57.391 56.100 -0.731 0.000 0.952 46 R CB -0.920 28.589 30.300 -1.319 0.000 0.854 46 R HN 0.277 nan 8.270 nan 0.000 0.436 47 P HA -0.130 nan 4.420 nan 0.000 0.221 47 P C 0.444 177.542 177.300 -0.337 0.000 1.145 47 P CA 1.342 64.242 63.100 -0.333 0.000 0.795 47 P CB -0.050 31.346 31.700 -0.506 0.000 0.775 48 F N -3.483 116.506 119.950 0.065 0.000 2.387 48 F HA 0.005 4.532 4.527 -0.000 0.000 0.294 48 F C 2.379 178.353 175.800 0.290 0.000 1.093 48 F CA 0.549 58.637 58.000 0.146 0.000 1.420 48 F CB -1.088 37.982 39.000 0.116 0.000 1.086 48 F HN -0.147 nan 8.300 nan 0.000 0.531 49 Y N 1.369 121.856 120.300 0.312 0.000 2.200 49 Y HA -0.178 4.372 4.550 -0.000 0.000 0.290 49 Y C 2.748 178.774 175.900 0.209 0.000 1.137 49 Y CA 1.574 59.861 58.100 0.312 0.000 1.163 49 Y CB -0.368 38.358 38.460 0.443 0.000 0.988 49 Y HN -0.075 nan 8.280 nan 0.000 0.518 50 R N 0.261 120.878 120.500 0.195 0.000 2.096 50 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 50 R C 2.011 178.351 176.300 0.067 0.000 1.139 50 R CA 2.013 58.150 56.100 0.062 0.000 0.952 50 R CB -0.251 30.035 30.300 -0.023 0.000 0.854 50 R HN 0.239 nan 8.270 nan 0.000 0.436 51 E N 0.285 120.564 120.200 0.131 0.000 2.106 51 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 51 E C 1.874 178.677 176.600 0.338 0.000 0.984 51 E CA 1.250 57.816 56.400 0.275 0.000 0.806 51 E CB -0.272 29.613 29.700 0.308 0.000 0.750 51 E HN 0.508 nan 8.360 nan 0.000 0.458 52 A N 0.808 123.749 122.820 0.201 0.000 1.908 52 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 52 A C 2.609 180.089 177.584 -0.173 0.000 1.181 52 A CA 1.617 53.539 52.037 -0.191 0.000 0.627 52 A CB -0.737 18.186 19.000 -0.128 0.000 0.818 52 A HN 0.148 nan 8.150 nan 0.000 0.445 53 V N -0.084 119.736 119.914 -0.157 0.000 2.287 53 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 53 V C 2.651 178.726 176.094 -0.032 0.000 1.053 53 V CA 2.365 64.594 62.300 -0.120 0.000 1.027 53 V CB -0.780 30.976 31.823 -0.111 0.000 0.646 53 V HN 0.637 nan 8.190 nan 0.000 0.447 54 R N -0.903 119.611 120.500 0.023 0.000 2.148 54 R HA -0.148 4.192 4.340 -0.000 0.000 0.227 54 R C 2.022 178.317 176.300 -0.009 0.000 1.103 54 R CA 1.356 57.467 56.100 0.019 0.000 0.983 54 R CB -0.164 30.163 30.300 0.045 0.000 0.874 54 R HN 0.612 nan 8.270 nan 0.000 0.451 55 H N -1.403 117.652 119.070 -0.025 0.000 2.547 55 H HA 0.176 4.732 4.556 -0.000 0.000 0.266 55 H C 0.984 176.323 175.328 0.018 0.000 0.988 55 H CA 0.854 56.912 56.048 0.016 0.000 1.147 55 H CB 0.641 30.332 29.762 -0.117 0.000 1.365 55 H HN 0.515 nan 8.280 nan 0.000 0.589 56 G N 0.174 108.992 108.800 0.030 0.000 2.148 56 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 56 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 56 G C 1.052 175.929 174.900 -0.038 0.000 0.981 56 G CA 0.532 45.621 45.100 -0.019 0.000 0.670 56 G HN 0.444 nan 8.290 nan 0.000 0.528 57 L N -0.863 120.323 121.223 -0.062 0.000 2.240 57 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 57 L C 2.718 179.564 176.870 -0.041 0.000 1.106 57 L CA 0.830 55.623 54.840 -0.077 0.000 0.793 57 L CB -0.271 41.675 42.059 -0.188 0.000 0.927 57 L HN 0.314 nan 8.230 nan 0.000 0.446 58 I N -0.259 120.281 120.570 -0.049 0.000 2.333 58 I HA -0.210 3.960 4.170 -0.000 0.000 0.246 58 I C 2.489 178.644 176.117 0.064 0.000 1.106 58 I CA 1.277 62.592 61.300 0.024 0.000 1.411 58 I CB -0.383 37.631 38.000 0.022 0.000 1.082 58 I HN 0.082 nan 8.210 nan 0.000 0.420 59 K N 0.799 121.220 120.400 0.035 0.000 2.211 59 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 59 K C 1.912 178.517 176.600 0.009 0.000 1.047 59 K CA 1.313 57.620 56.287 0.034 0.000 0.935 59 K CB -0.089 32.417 32.500 0.009 0.000 0.728 59 K HN 0.333 nan 8.250 nan 0.000 0.452 60 A N 0.402 123.217 122.820 -0.008 0.000 2.235 60 A HA -0.050 4.270 4.320 -0.000 0.000 0.208 60 A C 1.365 178.946 177.584 -0.006 0.000 1.172 60 A CA 0.605 52.628 52.037 -0.022 0.000 0.786 60 A CB 0.013 18.993 19.000 -0.033 0.000 0.804 60 A HN 0.270 nan 8.150 nan 0.000 0.479 61 Q N -0.532 119.275 119.800 0.012 0.000 2.360 61 Q HA 0.176 4.516 4.340 -0.000 0.000 0.202 61 Q C -0.277 175.717 176.000 -0.010 0.000 0.915 61 Q CA 0.413 56.223 55.803 0.010 0.000 0.943 61 Q CB 0.226 28.981 28.738 0.029 0.000 1.064 61 Q HN 0.379 nan 8.270 nan 0.000 0.511 62 V N 2.125 122.036 119.914 -0.005 0.000 2.540 62 V HA 0.349 4.469 4.120 -0.000 0.000 0.302 62 V C -2.368 173.714 176.094 -0.019 0.000 1.035 62 V CA -2.292 60.002 62.300 -0.010 0.000 0.873 62 V CB 1.908 33.742 31.823 0.017 0.000 0.992 62 V HN -0.060 nan 8.190 nan 0.000 0.428 63 P HA 0.238 nan 4.420 nan 0.000 0.268 63 P C 1.071 178.355 177.300 -0.028 0.000 1.208 63 P CA 0.058 63.139 63.100 -0.032 0.000 0.777 63 P CB 0.763 32.446 31.700 -0.029 0.000 0.875 64 I N 3.174 123.721 120.570 -0.038 0.000 2.208 64 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 64 I C -0.641 175.463 176.117 -0.022 0.000 1.097 64 I CA 1.874 63.153 61.300 -0.035 0.000 1.363 64 I CB -1.595 36.377 38.000 -0.046 0.000 1.051 64 I HN 0.470 nan 8.210 nan 0.000 0.413 65 P HA -0.126 nan 4.420 nan 0.000 0.222 65 P C 1.185 178.481 177.300 -0.007 0.000 1.147 65 P CA 1.049 64.140 63.100 -0.014 0.000 0.790 65 P CB 0.071 31.762 31.700 -0.015 0.000 0.780 66 L N -2.021 119.199 121.223 -0.006 0.000 2.611 66 L HA 0.368 4.708 4.340 -0.000 0.000 0.229 66 L C 1.635 178.512 176.870 0.012 0.000 1.137 66 L CA 0.784 55.627 54.840 0.005 0.000 0.901 66 L CB -1.298 40.764 42.059 0.005 0.000 1.098 66 L HN 0.140 nan 8.230 nan 0.000 0.456 67 G N -1.675 107.128 108.800 0.005 0.000 2.175 67 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.244 67 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.244 67 G C 0.745 175.650 174.900 0.008 0.000 0.982 67 G CA -0.006 45.099 45.100 0.008 0.000 0.641 67 G HN 0.634 nan 8.290 nan 0.000 0.527 68 G N -0.948 107.855 108.800 0.004 0.000 2.531 68 G HA2 0.617 4.577 3.960 -0.000 0.000 0.281 68 G HA3 0.617 4.577 3.960 -0.000 0.000 0.281 68 G C 0.938 175.823 174.900 -0.024 0.000 1.382 68 G CA 1.070 46.169 45.100 -0.001 0.000 1.045 68 G HN 1.183 nan 8.290 nan 0.000 0.533 69 T N -2.670 111.862 114.554 -0.036 0.000 3.170 69 T HA 0.315 4.664 4.350 -0.000 0.000 0.288 69 T C 0.844 175.491 174.700 -0.089 0.000 0.992 69 T CA -0.253 61.809 62.100 -0.062 0.000 0.909 69 T CB -0.192 68.636 68.868 -0.067 0.000 1.133 69 T HN 0.376 nan 8.240 nan 0.000 0.530 70 M N 2.308 121.862 119.600 -0.076 0.000 2.284 70 M HA 0.143 4.623 4.480 -0.000 0.000 0.351 70 M C 0.877 177.079 176.300 -0.164 0.000 1.443 70 M CA 0.622 55.864 55.300 -0.097 0.000 1.031 70 M CB 0.589 33.152 32.600 -0.061 0.000 1.893 70 M HN 0.208 nan 8.290 nan 0.000 0.456 71 E N 2.066 122.091 120.200 -0.292 0.000 2.102 71 E HA 0.047 4.397 4.350 -0.000 0.000 0.190 71 E C 0.118 176.481 176.600 -0.395 0.000 0.971 71 E CA 0.684 56.788 56.400 -0.493 0.000 0.821 71 E CB 0.398 29.486 29.700 -1.020 0.000 0.777 71 E HN 0.838 nan 8.360 nan 0.000 0.460 72 S N -1.287 114.251 115.700 -0.271 0.000 2.615 72 S HA 0.141 4.611 4.470 -0.000 0.000 0.268 72 S C -0.008 174.612 174.600 0.034 0.000 1.146 72 S CA -0.755 57.427 58.200 -0.031 0.000 0.818 72 S CB 0.593 63.851 63.200 0.096 0.000 1.111 72 S HN -0.028 nan 8.310 nan 0.000 0.465 73 L N 1.555 122.790 121.223 0.020 0.000 2.201 73 L HA 0.139 4.478 4.340 -0.000 0.000 0.212 73 L C 2.559 179.423 176.870 -0.010 0.000 1.105 73 L CA 1.370 56.219 54.840 0.015 0.000 0.775 73 L CB -0.963 41.105 42.059 0.016 0.000 0.913 73 L HN 0.725 nan 8.230 nan 0.000 0.440 74 V N -1.301 118.570 119.914 -0.072 0.000 2.379 74 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 74 V C 2.414 178.353 176.094 -0.259 0.000 1.044 74 V CA 1.372 63.491 62.300 -0.303 0.000 1.036 74 V CB -0.635 30.884 31.823 -0.506 0.000 0.664 74 V HN 0.444 nan 8.190 nan 0.000 0.453 75 H N 0.282 119.240 119.070 -0.187 0.000 2.289 75 H HA -0.238 4.318 4.556 -0.000 0.000 0.296 75 H C 2.303 177.606 175.328 -0.043 0.000 1.091 75 H CA 2.229 58.214 56.048 -0.105 0.000 1.274 75 H CB -0.227 29.490 29.762 -0.075 0.000 1.364 75 H HN 0.472 nan 8.280 nan 0.000 0.490 76 E N 0.411 120.680 120.200 0.115 0.000 2.097 76 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 76 E C 2.281 178.939 176.600 0.097 0.000 1.000 76 E CA 1.714 58.167 56.400 0.089 0.000 0.804 76 E CB -0.222 29.514 29.700 0.060 0.000 0.740 76 E HN 0.306 nan 8.360 nan 0.000 0.454 77 S N -0.269 115.479 115.700 0.080 0.000 2.370 77 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 77 S C 1.936 176.657 174.600 0.202 0.000 1.033 77 S CA 1.293 59.582 58.200 0.149 0.000 1.011 77 S CB -0.323 63.002 63.200 0.207 0.000 0.852 77 S HN 0.302 nan 8.310 nan 0.000 0.457 78 I N 1.118 121.774 120.570 0.144 0.000 2.202 78 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 78 I C 2.014 178.238 176.117 0.178 0.000 1.091 78 I CA 1.128 62.533 61.300 0.176 0.000 1.368 78 I CB -0.364 37.673 38.000 0.062 0.000 1.058 78 I HN 0.249 nan 8.210 nan 0.000 0.410 79 I N 0.513 121.179 120.570 0.159 0.000 2.127 79 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 79 I C 2.451 178.702 176.117 0.225 0.000 1.075 79 I CA 1.635 63.045 61.300 0.182 0.000 1.334 79 I CB -0.446 37.651 38.000 0.162 0.000 1.040 79 I HN 0.194 nan 8.210 nan 0.000 0.405 80 L N 0.241 121.603 121.223 0.231 0.000 2.046 80 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 80 L C 2.641 179.720 176.870 0.348 0.000 1.077 80 L CA 1.560 56.592 54.840 0.319 0.000 0.747 80 L CB -0.758 41.418 42.059 0.195 0.000 0.896 80 L HN 0.362 nan 8.230 nan 0.000 0.432 81 E N 0.325 120.668 120.200 0.238 0.000 2.038 81 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 81 E C 2.066 178.807 176.600 0.235 0.000 1.000 81 E CA 1.409 57.938 56.400 0.216 0.000 0.803 81 E CB 0.137 29.950 29.700 0.188 0.000 0.750 81 E HN 0.361 nan 8.360 nan 0.000 0.448 82 E N 0.341 120.670 120.200 0.215 0.000 2.110 82 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 82 E C 2.147 178.855 176.600 0.181 0.000 0.988 82 E CA 0.555 57.065 56.400 0.183 0.000 0.804 82 E CB -0.261 29.541 29.700 0.170 0.000 0.745 82 E HN 0.251 nan 8.360 nan 0.000 0.458 83 L N -0.203 121.153 121.223 0.222 0.000 1.994 83 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 83 L C 2.256 179.170 176.870 0.074 0.000 1.071 83 L CA 1.506 56.443 54.840 0.161 0.000 0.745 83 L CB -0.992 41.183 42.059 0.193 0.000 0.892 83 L HN 0.063 nan 8.230 nan 0.000 0.431 84 F N -0.562 119.469 119.950 0.135 0.000 2.365 84 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 84 F C 2.349 178.215 175.800 0.110 0.000 1.090 84 F CA 0.865 58.947 58.000 0.137 0.000 1.408 84 F CB -0.834 38.248 39.000 0.137 0.000 1.060 84 F HN 0.081 nan 8.300 nan 0.000 0.534 85 A N -0.769 122.187 122.820 0.225 0.000 2.172 85 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 85 A C 2.053 179.682 177.584 0.075 0.000 1.154 85 A CA 1.652 53.775 52.037 0.144 0.000 0.701 85 A CB -0.614 18.465 19.000 0.132 0.000 0.789 85 A HN 0.218 nan 8.150 nan 0.000 0.465 86 V N -1.562 118.381 119.914 0.049 0.000 2.948 86 V HA 0.213 4.333 4.120 -0.000 0.000 0.234 86 V C 0.247 176.319 176.094 -0.036 0.000 1.205 86 V CA 1.021 63.319 62.300 -0.005 0.000 1.234 86 V CB 0.435 32.249 31.823 -0.015 0.000 1.020 86 V HN 0.522 nan 8.190 nan 0.000 0.491 87 E N -0.350 119.810 120.200 -0.067 0.000 2.454 87 E HA 0.315 4.665 4.350 -0.000 0.000 0.315 87 E C -2.580 173.896 176.600 -0.207 0.000 0.907 87 E CA -1.330 55.014 56.400 -0.094 0.000 0.797 87 E CB 2.010 31.657 29.700 -0.089 0.000 1.396 87 E HN 0.044 nan 8.360 nan 0.000 0.389 88 P HA 0.014 nan 4.420 nan 0.000 0.222 88 P C -0.096 177.126 177.300 -0.130 0.000 1.147 88 P CA 0.862 63.766 63.100 -0.327 0.000 0.790 88 P CB 0.181 31.971 31.700 0.150 0.000 0.780 89 A N -0.642 122.129 122.820 -0.082 0.000 2.531 89 A HA 0.226 4.545 4.320 -0.000 0.000 0.236 89 A C 1.378 178.981 177.584 0.032 0.000 1.062 89 A CA 1.229 53.231 52.037 -0.058 0.000 0.760 89 A CB -0.966 17.931 19.000 -0.171 0.000 0.995 89 A HN 0.223 nan 8.150 nan 0.000 0.501 90 T N 1.435 116.086 114.554 0.161 0.000 12.209 90 T HA -0.294 4.056 4.350 -0.000 0.000 0.417 90 T C 1.885 176.762 174.700 0.295 0.000 1.458 90 T CA 2.324 64.612 62.100 0.312 0.000 2.409 90 T CB -1.807 67.291 68.868 0.383 0.000 2.842 90 T HN 0.912 nan 8.240 nan 0.000 0.841 91 S N 0.598 116.363 115.700 0.108 0.000 2.374 91 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 91 S C 1.769 176.492 174.600 0.205 0.000 1.037 91 S CA 1.666 59.869 58.200 0.005 0.000 1.024 91 S CB -0.364 62.488 63.200 -0.579 0.000 0.861 91 S HN 0.537 nan 8.310 nan 0.000 0.456 92 I N 1.948 122.648 120.570 0.217 0.000 2.286 92 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 92 I C 2.098 178.406 176.117 0.319 0.000 1.115 92 I CA 1.515 63.057 61.300 0.403 0.000 1.392 92 I CB -0.721 37.476 38.000 0.329 0.000 1.065 92 I HN 0.219 nan 8.210 nan 0.000 0.418 93 T N 0.723 115.463 114.554 0.310 0.000 2.812 93 T HA -0.064 4.286 4.350 -0.000 0.000 0.264 93 T C 1.995 176.928 174.700 0.390 0.000 1.042 93 T CA 1.791 64.058 62.100 0.278 0.000 1.140 93 T CB -0.371 68.645 68.868 0.248 0.000 0.870 93 T HN 0.309 nan 8.240 nan 0.000 0.445 94 I N 2.011 122.874 120.570 0.489 0.000 2.127 94 I HA -0.203 3.967 4.170 -0.000 0.000 0.241 94 I C 2.745 179.027 176.117 0.274 0.000 1.075 94 I CA 1.369 62.912 61.300 0.405 0.000 1.334 94 I CB -0.807 37.369 38.000 0.293 0.000 1.040 94 I HN 0.176 nan 8.210 nan 0.000 0.405 95 V N -0.690 119.388 119.914 0.272 0.000 2.515 95 V HA -0.104 4.016 4.120 -0.000 0.000 0.250 95 V C 2.524 178.682 176.094 0.108 0.000 1.058 95 V CA 1.525 63.938 62.300 0.188 0.000 1.064 95 V CB -1.238 30.717 31.823 0.220 0.000 0.675 95 V HN 0.340 nan 8.190 nan 0.000 0.461 96 A N 0.472 123.370 122.820 0.129 0.000 1.929 96 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 96 A C 2.334 179.930 177.584 0.021 0.000 1.176 96 A CA 2.199 54.267 52.037 0.052 0.000 0.628 96 A CB -1.196 17.840 19.000 0.060 0.000 0.816 96 A HN 0.515 nan 8.150 nan 0.000 0.444 97 T N 0.390 114.999 114.554 0.091 0.000 2.684 97 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 97 T C 2.228 176.909 174.700 -0.032 0.000 1.036 97 T CA 1.758 63.909 62.100 0.085 0.000 1.148 97 T CB -0.462 68.581 68.868 0.291 0.000 0.863 97 T HN 0.597 nan 8.240 nan 0.000 0.436 98 A N 1.147 123.969 122.820 0.003 0.000 1.908 98 A HA -0.066 4.253 4.320 -0.000 0.000 0.218 98 A C 2.242 179.755 177.584 -0.118 0.000 1.181 98 A CA 1.530 53.537 52.037 -0.051 0.000 0.627 98 A CB -0.864 18.136 19.000 -0.000 0.000 0.818 98 A HN 0.428 nan 8.150 nan 0.000 0.445 99 L N 0.088 121.233 121.223 -0.130 0.000 2.046 99 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 99 L C 2.390 179.111 176.870 -0.249 0.000 1.077 99 L CA 2.373 57.078 54.840 -0.226 0.000 0.747 99 L CB -1.053 40.840 42.059 -0.277 0.000 0.896 99 L HN 0.297 nan 8.230 nan 0.000 0.432 100 G N -0.687 107.994 108.800 -0.198 0.000 2.448 100 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 100 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 100 G C 1.549 176.308 174.900 -0.236 0.000 1.127 100 G CA 0.961 45.945 45.100 -0.193 0.000 0.766 100 G HN 0.445 nan 8.290 nan 0.000 0.552 101 L N -0.315 120.742 121.223 -0.277 0.000 2.240 101 L HA 0.037 4.376 4.340 -0.000 0.000 0.211 101 L C 2.913 179.658 176.870 -0.209 0.000 1.106 101 L CA 0.124 54.780 54.840 -0.306 0.000 0.793 101 L CB -0.339 41.503 42.059 -0.360 0.000 0.927 101 L HN 0.107 nan 8.230 nan 0.000 0.446 102 M N 0.301 119.786 119.600 -0.193 0.000 2.082 102 M HA -0.141 4.339 4.480 -0.000 0.000 0.258 102 M C -0.210 176.000 176.300 -0.150 0.000 1.069 102 M CA 2.134 57.337 55.300 -0.162 0.000 1.102 102 M CB -1.988 30.505 32.600 -0.178 0.000 1.336 102 M HN 0.009 nan 8.290 nan 0.000 0.404 103 P HA -0.076 nan 4.420 nan 0.000 0.218 103 P C 1.837 179.062 177.300 -0.125 0.000 1.149 103 P CA 0.977 63.992 63.100 -0.143 0.000 0.817 103 P CB -0.030 31.580 31.700 -0.150 0.000 0.785 104 V N -0.519 119.319 119.914 -0.127 0.000 2.323 104 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 104 V C 2.318 178.374 176.094 -0.063 0.000 1.041 104 V CA 1.404 63.651 62.300 -0.089 0.000 1.025 104 V CB -1.045 30.734 31.823 -0.074 0.000 0.656 104 V HN 0.031 nan 8.190 nan 0.000 0.451 105 I N -0.144 120.379 120.570 -0.078 0.000 2.194 105 I HA -0.289 3.881 4.170 -0.000 0.000 0.246 105 I C 2.135 178.217 176.117 -0.059 0.000 1.093 105 I CA 1.793 63.057 61.300 -0.061 0.000 1.355 105 I CB -0.234 37.723 38.000 -0.072 0.000 1.046 105 I HN 0.266 nan 8.210 nan 0.000 0.413 106 L N 0.205 121.383 121.223 -0.076 0.000 2.446 106 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 106 L C 1.519 178.343 176.870 -0.078 0.000 1.116 106 L CA -0.409 54.383 54.840 -0.080 0.000 0.844 106 L CB -0.358 41.639 42.059 -0.103 0.000 0.970 106 L HN 0.465 nan 8.230 nan 0.000 0.457 107 C N 0.087 119.345 119.300 -0.071 0.000 2.656 107 C HA 0.130 4.590 4.460 -0.000 0.000 0.391 107 C C 1.188 176.152 174.990 -0.043 0.000 1.300 107 C CA -0.781 58.200 59.018 -0.062 0.000 2.302 107 C CB 0.278 27.981 27.740 -0.061 0.000 2.655 107 C HN 0.522 nan 8.230 nan 0.000 0.656 108 D N 1.176 121.553 120.400 -0.038 0.000 2.706 108 D HA 0.104 4.744 4.640 -0.000 0.000 0.236 108 D C 0.107 176.399 176.300 -0.013 0.000 1.231 108 D CA 0.197 54.182 54.000 -0.026 0.000 0.828 108 D CB -0.253 40.530 40.800 -0.028 0.000 1.015 108 D HN 0.527 nan 8.370 nan 0.000 0.484 109 S N 0.855 116.551 115.700 -0.007 0.000 2.516 109 S HA 0.385 4.855 4.470 -0.000 0.000 0.268 109 S C -1.874 172.738 174.600 0.020 0.000 1.251 109 S CA -1.386 56.818 58.200 0.007 0.000 1.153 109 S CB 1.440 64.645 63.200 0.008 0.000 1.009 109 S HN -0.203 nan 8.310 nan 0.000 0.479 110 P HA -0.153 nan 4.420 nan 0.000 0.216 110 P C 1.739 179.056 177.300 0.029 0.000 1.150 110 P CA 1.333 64.445 63.100 0.019 0.000 0.843 110 P CB 0.044 31.751 31.700 0.012 0.000 0.787 111 S N -1.364 114.355 115.700 0.032 0.000 2.368 111 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 111 S C 1.882 176.517 174.600 0.058 0.000 1.029 111 S CA 0.956 59.175 58.200 0.032 0.000 0.988 111 S CB -1.423 61.795 63.200 0.029 0.000 0.838 111 S HN -0.095 nan 8.310 nan 0.000 0.462 112 L N 2.014 123.302 121.223 0.107 0.000 1.994 112 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 112 L C 2.986 180.000 176.870 0.239 0.000 1.071 112 L CA 1.868 56.851 54.840 0.237 0.000 0.745 112 L CB -1.315 40.859 42.059 0.191 0.000 0.892 112 L HN 0.421 nan 8.230 nan 0.000 0.431 113 Q N -1.057 118.820 119.800 0.129 0.000 2.045 113 Q HA -0.270 4.069 4.340 -0.000 0.000 0.206 113 Q C 2.223 178.279 176.000 0.094 0.000 0.991 113 Q CA 1.792 57.655 55.803 0.101 0.000 0.851 113 Q CB -0.327 28.440 28.738 0.049 0.000 0.911 113 Q HN 0.434 nan 8.270 nan 0.000 0.418 114 E N 1.128 121.361 120.200 0.054 0.000 2.058 114 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 114 E C 1.884 178.485 176.600 0.001 0.000 0.997 114 E CA 1.295 57.710 56.400 0.026 0.000 0.801 114 E CB 0.015 29.719 29.700 0.007 0.000 0.746 114 E HN 0.218 nan 8.360 nan 0.000 0.450 115 K N -0.873 119.495 120.400 -0.052 0.000 2.007 115 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 115 K C 2.115 178.571 176.600 -0.240 0.000 1.047 115 K CA 1.290 57.442 56.287 -0.225 0.000 0.937 115 K CB -0.182 32.058 32.500 -0.433 0.000 0.718 115 K HN 0.022 nan 8.250 nan 0.000 0.438 116 F N 0.771 120.768 119.950 0.077 0.000 2.569 116 F HA 0.105 4.632 4.527 -0.000 0.000 0.295 116 F C 1.680 177.610 175.800 0.216 0.000 1.115 116 F CA 0.428 58.503 58.000 0.123 0.000 1.450 116 F CB 0.127 39.175 39.000 0.079 0.000 1.107 116 F HN -0.051 nan 8.300 nan 0.000 0.563 117 L N -0.217 121.193 121.223 0.311 0.000 2.492 117 L HA -0.029 4.311 4.340 -0.000 0.000 0.223 117 L C 2.349 179.427 176.870 0.346 0.000 1.132 117 L CA 0.428 55.467 54.840 0.331 0.000 0.850 117 L CB -0.441 41.715 42.059 0.163 0.000 0.966 117 L HN 0.077 nan 8.230 nan 0.000 0.454 118 K N 1.335 121.855 120.400 0.199 0.000 2.032 118 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 118 K C -0.495 176.140 176.600 0.058 0.000 1.048 118 K CA 1.576 57.920 56.287 0.096 0.000 0.927 118 K CB -0.725 31.791 32.500 0.026 0.000 0.712 118 K HN 0.162 nan 8.250 nan 0.000 0.441 119 P HA -0.140 nan 4.420 nan 0.000 0.216 119 P C 0.695 177.836 177.300 -0.265 0.000 1.150 119 P CA 1.324 64.291 63.100 -0.222 0.000 0.837 119 P CB -0.073 31.349 31.700 -0.464 0.000 0.786 120 F N -0.931 119.060 119.950 0.069 0.000 2.661 120 F HA 0.056 4.583 4.527 -0.000 0.000 0.298 120 F C 1.959 177.779 175.800 0.033 0.000 1.137 120 F CA 0.599 58.637 58.000 0.064 0.000 1.454 120 F CB -0.816 38.228 39.000 0.073 0.000 1.103 120 F HN -0.050 nan 8.300 nan 0.000 0.577 121 I N -3.184 117.477 120.570 0.153 0.000 4.082 121 I HA 0.168 4.338 4.170 -0.000 0.000 0.337 121 I C 1.912 178.050 176.117 0.035 0.000 1.352 121 I CA 0.453 61.805 61.300 0.086 0.000 1.097 121 I CB -0.337 37.710 38.000 0.078 0.000 1.048 121 I HN -0.000 nan 8.210 nan 0.000 0.393 122 S N 1.421 117.130 115.700 0.015 0.000 2.406 122 S HA 0.131 4.601 4.470 -0.000 0.000 0.228 122 S C 1.868 176.462 174.600 -0.010 0.000 1.020 122 S CA 0.865 59.062 58.200 -0.006 0.000 0.965 122 S CB -0.598 62.588 63.200 -0.023 0.000 0.798 122 S HN 0.908 nan 8.310 nan 0.000 0.488 123 G N 0.481 109.274 108.800 -0.011 0.000 2.132 123 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.234 123 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.234 123 G C -0.288 174.600 174.900 -0.020 0.000 0.989 123 G CA 0.211 45.301 45.100 -0.016 0.000 0.676 123 G HN 0.623 nan 8.290 nan 0.000 0.522 124 E N -0.840 119.347 120.200 -0.022 0.000 2.312 124 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 124 E C 0.765 177.358 176.600 -0.012 0.000 0.894 124 E CA -0.218 56.170 56.400 -0.019 0.000 0.773 124 E CB 1.957 31.644 29.700 -0.021 0.000 1.241 124 E HN 1.414 nan 8.360 nan 0.000 0.432 125 G N 1.821 110.622 108.800 0.002 0.000 2.598 125 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 125 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 125 G C -0.575 174.381 174.900 0.094 0.000 1.302 125 G CA -0.203 44.915 45.100 0.030 0.000 0.903 125 G HN 0.524 nan 8.290 nan 0.000 0.575 126 E N 1.169 121.492 120.200 0.205 0.000 3.935 126 E HA 0.386 4.736 4.350 -0.000 0.000 0.226 126 E C -2.479 174.494 176.600 0.622 0.000 1.220 126 E CA -1.148 55.555 56.400 0.505 0.000 1.226 126 E CB 1.626 31.655 29.700 0.549 0.000 1.237 126 E HN 0.532 nan 8.360 nan 0.000 0.417 127 P HA 0.123 nan 4.420 nan 0.000 0.276 127 P C -0.503 177.025 177.300 0.380 0.000 1.230 127 P CA -0.145 63.022 63.100 0.112 0.000 0.776 127 P CB 1.189 32.593 31.700 -0.493 0.000 0.888 128 L N 2.174 123.578 121.223 0.301 0.000 2.346 128 L HA 0.774 5.114 4.340 -0.000 0.000 0.274 128 L C 0.353 177.479 176.870 0.425 0.000 1.007 128 L CA -0.881 54.128 54.840 0.282 0.000 0.818 128 L CB 1.973 43.967 42.059 -0.107 0.000 1.284 128 L HN 0.386 nan 8.230 nan 0.000 0.424 129 A N 1.584 124.587 122.820 0.304 0.000 2.380 129 A HA 0.847 5.167 4.320 -0.000 0.000 0.315 129 A C -0.846 176.745 177.584 0.013 0.000 1.101 129 A CA -0.519 51.580 52.037 0.104 0.000 0.771 129 A CB 2.037 20.914 19.000 -0.205 0.000 1.287 129 A HN 0.512 nan 8.150 nan 0.000 0.436 130 S N 0.360 116.051 115.700 -0.015 0.000 2.572 130 S HA 0.502 4.972 4.470 -0.000 0.000 0.274 130 S C -1.721 172.846 174.600 -0.056 0.000 1.150 130 S CA -0.453 57.728 58.200 -0.032 0.000 0.944 130 S CB 1.130 64.328 63.200 -0.004 0.000 1.071 130 S HN 1.284 nan 8.310 nan 0.000 0.479 131 L N 6.206 127.376 121.223 -0.089 0.000 2.288 131 L HA 0.560 4.900 4.340 -0.000 0.000 0.283 131 L C -0.472 176.396 176.870 -0.004 0.000 1.072 131 L CA 0.100 54.877 54.840 -0.105 0.000 0.862 131 L CB -0.000 41.903 42.059 -0.260 0.000 1.245 131 L HN 0.773 nan 8.230 nan 0.000 0.432 132 M N 5.028 124.644 119.600 0.027 0.000 2.725 132 M HA 0.147 4.627 4.480 -0.000 0.000 0.322 132 M C 0.722 177.073 176.300 0.086 0.000 1.393 132 M CA 0.133 55.475 55.300 0.070 0.000 1.452 132 M CB 0.027 32.678 32.600 0.085 0.000 1.242 132 M HN 0.613 nan 8.290 nan 0.000 0.487 133 H N 0.088 119.168 119.070 0.017 0.000 2.501 133 H HA 0.264 4.819 4.556 -0.000 0.000 0.281 133 H C 0.189 175.457 175.328 -0.100 0.000 0.988 133 H CA 0.235 56.242 56.048 -0.068 0.000 1.232 133 H CB 0.825 30.565 29.762 -0.037 0.000 1.455 133 H HN 0.437 nan 8.280 nan 0.000 0.501 134 S N 1.461 117.188 115.700 0.046 0.000 2.572 134 S HA 0.132 4.602 4.470 -0.000 0.000 0.279 134 S C -0.135 174.490 174.600 0.042 0.000 1.341 134 S CA -0.028 58.200 58.200 0.046 0.000 1.043 134 S CB 1.137 64.465 63.200 0.213 0.000 0.887 134 S HN 0.365 nan 8.310 nan 0.000 0.516 135 E N 1.594 121.816 120.200 0.037 0.000 2.369 135 E HA 0.254 4.604 4.350 -0.000 0.000 0.270 135 E C -2.057 174.551 176.600 0.014 0.000 0.909 135 E CA -2.194 54.206 56.400 -0.000 0.000 0.775 135 E CB 1.214 30.890 29.700 -0.039 0.000 1.270 135 E HN 0.178 nan 8.360 nan 0.000 0.445 136 P HA -0.158 nan 4.420 nan 0.000 0.216 136 P C 0.396 177.685 177.300 -0.020 0.000 1.150 136 P CA 1.478 64.498 63.100 -0.134 0.000 0.843 136 P CB 0.135 31.719 31.700 -0.193 0.000 0.787 137 N N -1.254 117.447 118.700 0.000 0.000 2.467 137 N HA 0.164 4.904 4.740 -0.000 0.000 0.184 137 N C 0.648 176.178 175.510 0.034 0.000 1.106 137 N CA 0.299 53.360 53.050 0.018 0.000 0.892 137 N CB 0.060 38.557 38.487 0.017 0.000 0.969 137 N HN 0.139 nan 8.380 nan 0.000 0.454 138 G N 0.077 108.905 108.800 0.047 0.000 2.612 138 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 138 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 138 G C 0.188 175.097 174.900 0.014 0.000 1.274 138 G CA -0.175 44.949 45.100 0.041 0.000 0.849 138 G HN 0.155 nan 8.290 nan 0.000 0.595 139 T N -2.953 111.599 114.554 -0.003 0.000 3.130 139 T HA 0.590 4.939 4.350 -0.000 0.000 0.288 139 T C 2.135 176.897 174.700 0.104 0.000 0.936 139 T CA 1.346 63.438 62.100 -0.014 0.000 0.897 139 T CB 0.586 69.332 68.868 -0.203 0.000 1.178 139 T HN 2.070 nan 8.240 nan 0.000 0.543 140 A N 2.639 125.504 122.820 0.075 0.000 2.024 140 A HA -0.024 4.296 4.320 -0.000 0.000 0.220 140 A C 1.658 179.346 177.584 0.174 0.000 1.164 140 A CA 1.522 53.620 52.037 0.100 0.000 0.643 140 A CB -0.705 18.316 19.000 0.034 0.000 0.806 140 A HN 0.626 nan 8.150 nan 0.000 0.451 141 N N -0.754 118.050 118.700 0.172 0.000 2.234 141 N HA 0.068 4.807 4.740 -0.000 0.000 0.227 141 N C 0.998 176.603 175.510 0.158 0.000 1.151 141 N CA 0.129 53.254 53.050 0.125 0.000 0.865 141 N CB 0.158 38.684 38.487 0.064 0.000 1.066 141 N HN 0.805 nan 8.380 nan 0.000 0.515 142 W N 0.508 121.805 121.300 -0.005 0.000 2.359 142 W HA -0.069 4.591 4.660 -0.000 0.000 0.275 142 W C -0.030 176.492 176.519 0.006 0.000 1.217 142 W CA 0.555 57.897 57.345 -0.004 0.000 1.196 142 W CB -0.682 28.779 29.460 0.003 0.000 1.129 142 W HN 0.113 nan 8.180 nan 0.000 0.566 143 L N 0.902 121.831 121.223 -0.490 0.000 2.728 143 L HA 0.201 4.541 4.340 -0.000 0.000 0.238 143 L C 1.296 178.021 176.870 -0.241 0.000 1.143 143 L CA -0.098 54.418 54.840 -0.539 0.000 0.937 143 L CB -0.450 41.150 42.059 -0.765 0.000 1.225 143 L HN -0.125 nan 8.230 nan 0.000 0.507 144 Q N 2.703 122.428 119.800 -0.126 0.000 2.271 144 Q HA -0.004 4.336 4.340 -0.000 0.000 0.273 144 Q C 0.070 176.031 176.000 -0.066 0.000 1.051 144 Q CA 0.189 55.948 55.803 -0.073 0.000 0.901 144 Q CB 0.664 29.385 28.738 -0.029 0.000 1.174 144 Q HN 0.087 nan 8.270 nan 0.000 0.385 145 K N 3.022 123.383 120.400 -0.065 0.000 2.412 145 K HA 0.118 4.438 4.320 -0.000 0.000 0.284 145 K C 0.525 177.106 176.600 -0.032 0.000 1.046 145 K CA 1.056 57.312 56.287 -0.050 0.000 0.999 145 K CB 0.056 32.526 32.500 -0.049 0.000 0.941 145 K HN 0.932 nan 8.250 nan 0.000 0.474 146 G N 2.701 111.486 108.800 -0.024 0.000 2.284 146 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 146 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 146 G C 0.438 175.333 174.900 -0.008 0.000 1.009 146 G CA -0.217 44.874 45.100 -0.014 0.000 0.625 146 G HN 0.912 nan 8.290 nan 0.000 0.501 147 G N 0.725 109.520 108.800 -0.009 0.000 2.634 147 G HA2 0.542 4.502 3.960 -0.000 0.000 0.255 147 G HA3 0.542 4.502 3.960 -0.000 0.000 0.255 147 G C -0.296 174.609 174.900 0.008 0.000 1.205 147 G CA 0.024 45.126 45.100 0.002 0.000 0.884 147 G HN 0.183 nan 8.290 nan 0.000 0.549 148 P HA 0.048 nan 4.420 nan 0.000 0.226 148 P C 1.316 178.636 177.300 0.033 0.000 1.153 148 P CA 1.190 64.304 63.100 0.023 0.000 0.777 148 P CB -0.109 31.607 31.700 0.025 0.000 0.794 149 G N 0.577 109.403 108.800 0.043 0.000 2.692 149 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 149 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 149 G C -0.386 174.568 174.900 0.091 0.000 1.340 149 G CA -0.395 44.748 45.100 0.071 0.000 0.896 149 G HN 0.298 nan 8.290 nan 0.000 0.570 150 L N 0.353 121.650 121.223 0.122 0.000 2.499 150 L HA 0.129 4.469 4.340 -0.000 0.000 0.281 150 L C 1.697 178.594 176.870 0.044 0.000 1.234 150 L CA 0.145 55.032 54.840 0.077 0.000 0.839 150 L CB 0.489 42.593 42.059 0.075 0.000 1.104 150 L HN 0.599 nan 8.230 nan 0.000 0.500 151 Q N 0.098 119.912 119.800 0.023 0.000 2.281 151 Q HA 0.127 4.467 4.340 -0.000 0.000 0.215 151 Q C -0.034 175.984 176.000 0.030 0.000 0.867 151 Q CA 0.200 56.020 55.803 0.028 0.000 0.940 151 Q CB 0.633 29.387 28.738 0.027 0.000 1.111 151 Q HN 0.635 nan 8.270 nan 0.000 0.513 152 T N 2.802 117.365 114.554 0.016 0.000 2.723 152 T HA 0.283 4.633 4.350 -0.000 0.000 0.297 152 T C 0.346 175.046 174.700 0.000 0.000 0.925 152 T CA -0.044 62.063 62.100 0.011 0.000 1.030 152 T CB 0.691 69.549 68.868 -0.016 0.000 0.905 152 T HN 0.201 nan 8.240 nan 0.000 0.502 153 T N 0.265 114.830 114.554 0.017 0.000 2.950 153 T HA 0.848 5.198 4.350 -0.000 0.000 0.288 153 T C -0.516 174.209 174.700 0.041 0.000 1.035 153 T CA -1.095 61.025 62.100 0.033 0.000 1.028 153 T CB 1.935 70.833 68.868 0.050 0.000 1.109 153 T HN 0.610 nan 8.240 nan 0.000 0.514 154 A N 1.716 124.589 122.820 0.088 0.000 2.414 154 A HA 0.881 5.201 4.320 -0.000 0.000 0.306 154 A C -0.331 177.436 177.584 0.305 0.000 1.054 154 A CA -1.283 50.864 52.037 0.182 0.000 0.724 154 A CB 1.352 20.442 19.000 0.151 0.000 1.267 154 A HN 1.171 nan 8.150 nan 0.000 0.418 155 R N 1.333 122.010 120.500 0.295 0.000 2.673 155 R HA 0.606 4.945 4.340 -0.000 0.000 0.281 155 R C -1.106 175.121 176.300 -0.121 0.000 0.991 155 R CA -0.801 55.376 56.100 0.128 0.000 0.896 155 R CB 1.701 32.019 30.300 0.029 0.000 1.201 155 R HN 0.532 nan 8.270 nan 0.000 0.457 156 K N 2.498 122.540 120.400 -0.596 0.000 2.258 156 K HA 0.277 4.597 4.320 -0.000 0.000 0.284 156 K C -1.131 175.205 176.600 -0.439 0.000 1.051 156 K CA -0.513 55.202 56.287 -0.953 0.000 0.923 156 K CB 1.329 32.992 32.500 -1.396 0.000 1.046 156 K HN 0.457 nan 8.250 nan 0.000 0.474 157 V N 4.806 124.528 119.914 -0.319 0.000 2.357 157 V HA 0.335 4.455 4.120 -0.000 0.000 0.281 157 V C 0.672 176.685 176.094 -0.134 0.000 1.015 157 V CA 0.100 62.303 62.300 -0.162 0.000 0.827 157 V CB 0.410 32.194 31.823 -0.065 0.000 1.018 157 V HN 1.205 nan 8.190 nan 0.000 0.432 158 G N 5.423 114.136 108.800 -0.145 0.000 2.536 158 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.280 158 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.280 158 G C 0.496 175.306 174.900 -0.151 0.000 1.152 158 G CA 0.504 45.535 45.100 -0.115 0.000 0.970 158 G HN 1.086 nan 8.290 nan 0.000 0.549 159 N N 2.505 121.153 118.700 -0.085 0.000 2.320 159 N HA 0.231 4.971 4.740 -0.000 0.000 0.237 159 N C 0.313 175.850 175.510 0.045 0.000 1.129 159 N CA 1.022 54.038 53.050 -0.057 0.000 0.854 159 N CB 0.060 38.539 38.487 -0.013 0.000 1.083 159 N HN 1.086 nan 8.380 nan 0.000 0.504 160 E N -1.428 118.769 120.200 -0.005 0.000 2.433 160 E HA 0.426 4.776 4.350 -0.000 0.000 0.278 160 E C -1.580 175.003 176.600 -0.029 0.000 0.976 160 E CA -1.016 55.451 56.400 0.111 0.000 0.793 160 E CB 0.710 30.509 29.700 0.165 0.000 1.311 160 E HN 0.007 nan 8.360 nan 0.000 0.460 161 W N 0.696 122.035 121.300 0.065 0.000 2.570 161 W HA 0.543 5.203 4.660 -0.000 0.000 0.337 161 W C -0.853 175.628 176.519 -0.062 0.000 1.067 161 W CA -0.632 56.723 57.345 0.016 0.000 1.229 161 W CB 1.976 31.452 29.460 0.027 0.000 1.355 161 W HN 0.259 nan 8.180 nan 0.000 0.555 162 V N 4.718 124.697 119.914 0.108 0.000 2.378 162 V HA 0.377 4.497 4.120 -0.000 0.000 0.288 162 V C -0.174 175.948 176.094 0.046 0.000 1.016 162 V CA -0.999 61.254 62.300 -0.079 0.000 0.840 162 V CB 0.907 32.577 31.823 -0.256 0.000 0.994 162 V HN 0.361 nan 8.190 nan 0.000 0.431 163 I N 3.748 124.371 120.570 0.087 0.000 2.331 163 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 163 I C 0.129 176.323 176.117 0.129 0.000 0.998 163 I CA 0.246 61.582 61.300 0.060 0.000 1.267 163 I CB 1.534 39.455 38.000 -0.131 0.000 1.386 163 I HN 0.550 nan 8.210 nan 0.000 0.476 164 S N 4.449 120.202 115.700 0.089 0.000 2.707 164 S HA 0.856 5.326 4.470 -0.000 0.000 0.312 164 S C 0.034 174.697 174.600 0.105 0.000 1.116 164 S CA -0.686 57.584 58.200 0.117 0.000 1.078 164 S CB 1.728 64.977 63.200 0.081 0.000 0.997 164 S HN 1.058 nan 8.310 nan 0.000 0.477 165 G N 2.291 111.186 108.800 0.157 0.000 2.356 165 G HA2 0.324 4.283 3.960 -0.000 0.000 0.288 165 G HA3 0.324 4.283 3.960 -0.000 0.000 0.288 165 G C -2.251 172.754 174.900 0.174 0.000 1.302 165 G CA -0.851 44.325 45.100 0.126 0.000 0.887 165 G HN 0.490 nan 8.290 nan 0.000 0.521 166 E N 0.137 120.408 120.200 0.118 0.000 2.210 166 E HA 0.533 4.883 4.350 -0.000 0.000 0.266 166 E C -0.741 175.917 176.600 0.097 0.000 0.883 166 E CA -0.956 55.502 56.400 0.096 0.000 0.761 166 E CB 1.999 31.761 29.700 0.103 0.000 1.156 166 E HN 0.227 nan 8.360 nan 0.000 0.412 167 K N 2.171 122.624 120.400 0.089 0.000 2.208 167 K HA 0.593 4.912 4.320 -0.000 0.000 0.247 167 K C -0.800 175.800 176.600 -0.000 0.000 0.953 167 K CA -0.764 55.554 56.287 0.051 0.000 0.837 167 K CB 1.720 34.275 32.500 0.092 0.000 1.131 167 K HN 0.453 nan 8.250 nan 0.000 0.431 168 L N 1.715 122.888 121.223 -0.083 0.000 2.482 168 L HA 0.331 4.671 4.340 -0.000 0.000 0.263 168 L C -0.814 175.977 176.870 -0.132 0.000 0.957 168 L CA -0.197 54.456 54.840 -0.312 0.000 0.836 168 L CB 1.232 42.891 42.059 -0.666 0.000 1.324 168 L HN 0.912 nan 8.230 nan 0.000 0.406 169 W N 0.782 122.047 121.300 -0.059 0.000 0.689 169 W HA -0.185 4.475 4.660 0.000 0.000 0.223 169 W C -1.809 174.696 176.519 -0.024 0.000 0.941 169 W CA -0.250 57.074 57.345 -0.035 0.000 0.346 169 W CB -1.837 27.611 29.460 -0.019 0.000 1.939 169 W HN 0.328 nan 8.180 nan 0.000 1.088 170 P HA 0.216 nan 4.420 nan 0.000 0.270 170 P C 0.291 177.610 177.300 0.031 0.000 1.242 170 P CA 0.919 64.082 63.100 0.104 0.000 0.768 170 P CB 1.322 33.068 31.700 0.076 0.000 0.820 171 S N 3.560 119.273 115.700 0.022 0.000 2.562 171 S HA 0.060 4.530 4.470 -0.000 0.000 0.281 171 S C 1.037 175.570 174.600 -0.112 0.000 1.333 171 S CA 0.155 58.320 58.200 -0.058 0.000 1.052 171 S CB -0.381 62.812 63.200 -0.011 0.000 0.884 171 S HN 0.531 nan 8.310 nan 0.000 0.506 172 N N 0.261 118.810 118.700 -0.252 0.000 2.967 172 N HA -0.215 4.525 4.740 -0.000 0.000 0.218 172 N C 1.325 176.762 175.510 -0.122 0.000 0.870 172 N CA 1.592 54.499 53.050 -0.237 0.000 1.030 172 N CB -1.994 36.414 38.487 -0.132 0.000 1.027 172 N HN 0.675 nan 8.380 nan 0.000 0.603 173 S N -0.746 114.912 115.700 -0.071 0.000 2.387 173 S HA -0.087 4.383 4.470 -0.000 0.000 0.230 173 S C 1.826 176.472 174.600 0.075 0.000 1.035 173 S CA 1.568 59.773 58.200 0.009 0.000 1.014 173 S CB -0.720 62.483 63.200 0.006 0.000 0.836 173 S HN 0.602 nan 8.310 nan 0.000 0.466 174 G N 0.283 109.129 108.800 0.076 0.000 3.189 174 G HA2 0.507 4.467 3.960 -0.000 0.000 0.225 174 G HA3 0.507 4.467 3.960 -0.000 0.000 0.225 174 G C 0.853 175.901 174.900 0.245 0.000 1.159 174 G CA 0.112 45.337 45.100 0.210 0.000 0.763 174 G HN 1.166 nan 8.290 nan 0.000 0.549 175 G N -0.645 108.220 108.800 0.109 0.000 2.697 175 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.240 175 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.240 175 G C 0.679 175.662 174.900 0.139 0.000 1.346 175 G CA 0.131 45.251 45.100 0.033 0.000 0.887 175 G HN 0.276 nan 8.290 nan 0.000 0.569 176 W N 0.087 121.524 121.300 0.230 0.000 2.467 176 W HA 0.228 4.888 4.660 -0.000 0.000 0.275 176 W C 2.122 178.682 176.519 0.068 0.000 1.239 176 W CA 1.075 58.496 57.345 0.127 0.000 1.266 176 W CB 0.112 29.558 29.460 -0.024 0.000 1.112 176 W HN 0.682 nan 8.180 nan 0.000 0.576 177 D N -3.789 116.785 120.400 0.290 0.000 2.540 177 D HA -0.044 4.596 4.640 -0.000 0.000 0.229 177 D C 0.223 176.656 176.300 0.222 0.000 1.250 177 D CA -0.640 53.464 54.000 0.173 0.000 0.817 177 D CB -0.932 39.974 40.800 0.175 0.000 1.060 177 D HN 0.029 nan 8.370 nan 0.000 0.508 178 Y N 0.461 120.862 120.300 0.167 0.000 4.604 178 Y HA -0.260 4.290 4.550 -0.000 0.000 0.230 178 Y C 0.635 176.650 175.900 0.193 0.000 1.066 178 Y CA 0.129 58.314 58.100 0.142 0.000 1.990 178 Y CB -2.380 36.133 38.460 0.089 0.000 1.619 178 Y HN 0.267 nan 8.280 nan 0.000 0.649 179 K N 0.393 120.979 120.400 0.310 0.000 2.410 179 K HA 0.462 4.782 4.320 -0.000 0.000 0.200 179 K C 1.074 177.743 176.600 0.115 0.000 1.023 179 K CA 0.592 57.003 56.287 0.206 0.000 1.149 179 K CB 0.417 33.008 32.500 0.152 0.000 0.859 179 K HN 0.428 nan 8.250 nan 0.000 0.514 180 G N 0.927 109.838 108.800 0.185 0.000 2.674 180 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 180 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 180 G C -0.625 174.344 174.900 0.115 0.000 1.195 180 G CA -0.734 44.435 45.100 0.114 0.000 0.776 180 G HN 0.207 nan 8.290 nan 0.000 0.654 181 A N 0.497 123.382 122.820 0.107 0.000 2.466 181 A HA 0.527 4.847 4.320 -0.000 0.000 0.238 181 A C 1.288 178.954 177.584 0.137 0.000 1.074 181 A CA 1.216 53.310 52.037 0.096 0.000 0.774 181 A CB 0.075 19.127 19.000 0.087 0.000 1.015 181 A HN 0.890 nan 8.150 nan 0.000 0.498 182 D N -0.879 119.628 120.400 0.178 0.000 2.178 182 D HA 0.058 4.698 4.640 -0.000 0.000 0.201 182 D C 0.110 176.584 176.300 0.290 0.000 0.980 182 D CA 1.439 55.561 54.000 0.203 0.000 0.842 182 D CB -0.046 40.834 40.800 0.135 0.000 0.948 182 D HN 0.275 nan 8.370 nan 0.000 0.472 183 L N -0.512 120.914 121.223 0.338 0.000 2.476 183 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 183 L C -1.781 175.153 176.870 0.106 0.000 0.965 183 L CA -0.891 54.095 54.840 0.243 0.000 0.845 183 L CB 1.772 44.010 42.059 0.298 0.000 1.259 183 L HN -0.141 nan 8.230 nan 0.000 0.403 184 A N 4.012 126.863 122.820 0.052 0.000 2.343 184 A HA 0.711 5.031 4.320 -0.000 0.000 0.316 184 A C -0.911 176.642 177.584 -0.051 0.000 1.104 184 A CA -0.472 51.576 52.037 0.019 0.000 0.768 184 A CB 1.016 20.065 19.000 0.081 0.000 1.213 184 A HN 0.762 nan 8.150 nan 0.000 0.456 185 C N 2.979 122.231 119.300 -0.080 0.000 2.223 185 C HA 0.510 4.970 4.460 -0.000 0.000 0.324 185 C C 0.347 175.287 174.990 -0.082 0.000 1.196 185 C CA -0.699 58.249 59.018 -0.117 0.000 1.628 185 C CB -0.566 27.089 27.740 -0.142 0.000 2.229 185 C HN 0.564 nan 8.230 nan 0.000 0.486 186 V N 4.937 124.787 119.914 -0.107 0.000 2.364 186 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 186 V C 0.200 176.219 176.094 -0.125 0.000 1.036 186 V CA -0.235 61.991 62.300 -0.123 0.000 0.880 186 V CB 1.112 32.781 31.823 -0.256 0.000 0.991 186 V HN 0.672 nan 8.190 nan 0.000 0.460 187 V N 4.802 124.675 119.914 -0.069 0.000 2.406 187 V HA 0.320 4.440 4.120 -0.000 0.000 0.272 187 V C 0.186 176.242 176.094 -0.062 0.000 1.043 187 V CA -0.204 62.079 62.300 -0.029 0.000 0.915 187 V CB 0.764 32.641 31.823 0.089 0.000 0.988 187 V HN 1.006 nan 8.190 nan 0.000 0.466 188 C N 4.710 123.980 119.300 -0.049 0.000 2.667 188 C HA 0.643 5.103 4.460 -0.000 0.000 0.323 188 C C 0.310 175.316 174.990 0.027 0.000 1.214 188 C CA -1.096 57.898 59.018 -0.040 0.000 1.721 188 C CB 1.703 29.392 27.740 -0.085 0.000 2.275 188 C HN 0.938 nan 8.230 nan 0.000 0.491 189 R N 1.236 121.764 120.500 0.046 0.000 2.229 189 R HA 0.532 4.872 4.340 -0.000 0.000 0.328 189 R C -0.913 175.424 176.300 0.061 0.000 1.009 189 R CA -0.216 55.923 56.100 0.065 0.000 0.864 189 R CB 0.632 30.975 30.300 0.072 0.000 1.085 189 R HN 0.665 nan 8.270 nan 0.000 0.453 190 V N 3.730 123.686 119.914 0.071 0.000 2.540 190 V HA 0.035 4.155 4.120 -0.000 0.000 0.297 190 V C 0.199 176.357 176.094 0.106 0.000 1.024 190 V CA 0.760 63.137 62.300 0.128 0.000 1.105 190 V CB 1.124 33.047 31.823 0.166 0.000 0.938 190 V HN 0.801 nan 8.190 nan 0.000 0.482 191 S N 3.078 118.846 115.700 0.115 0.000 2.706 191 S HA 0.254 4.724 4.470 -0.000 0.000 0.270 191 S C 0.501 175.141 174.600 0.066 0.000 1.163 191 S CA -0.736 57.509 58.200 0.075 0.000 1.042 191 S CB 1.317 64.551 63.200 0.058 0.000 1.079 191 S HN 0.817 nan 8.310 nan 0.000 0.474 192 D N 2.193 122.621 120.400 0.046 0.000 2.123 192 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 192 D C 0.161 176.470 176.300 0.015 0.000 0.992 192 D CA 1.385 55.396 54.000 0.019 0.000 0.833 192 D CB 0.196 41.000 40.800 0.006 0.000 0.954 192 D HN 0.619 nan 8.370 nan 0.000 0.455 193 D N -0.635 119.777 120.400 0.020 0.000 2.460 193 D HA 0.115 4.755 4.640 -0.000 0.000 0.232 193 D C -1.861 174.454 176.300 0.025 0.000 1.079 193 D CA -2.122 51.889 54.000 0.018 0.000 0.864 193 D CB 1.714 42.522 40.800 0.014 0.000 1.048 193 D HN -0.062 nan 8.370 nan 0.000 0.523 194 P HA -0.126 nan 4.420 nan 0.000 0.228 194 P C 1.070 178.387 177.300 0.029 0.000 1.151 194 P CA 0.617 63.737 63.100 0.034 0.000 0.770 194 P CB 0.248 31.971 31.700 0.038 0.000 0.786 195 S N -1.734 113.980 115.700 0.024 0.000 2.478 195 S HA 0.043 4.513 4.470 -0.000 0.000 0.222 195 S C 1.001 175.612 174.600 0.019 0.000 1.008 195 S CA -0.017 58.196 58.200 0.021 0.000 0.928 195 S CB -0.444 62.767 63.200 0.018 0.000 0.781 195 S HN 0.032 nan 8.310 nan 0.000 0.518 196 K N 3.030 123.441 120.400 0.019 0.000 2.174 196 K HA 0.369 4.689 4.320 -0.000 0.000 0.275 196 K C -2.536 174.075 176.600 0.018 0.000 1.015 196 K CA -1.983 54.313 56.287 0.016 0.000 0.933 196 K CB 0.570 33.079 32.500 0.015 0.000 1.025 196 K HN 0.306 nan 8.250 nan 0.000 0.463 197 P HA -0.041 nan 4.420 nan 0.000 0.271 197 P C -0.724 176.585 177.300 0.014 0.000 1.216 197 P CA -0.205 62.904 63.100 0.015 0.000 0.776 197 P CB 0.559 32.266 31.700 0.011 0.000 0.881 198 Q N 1.730 121.539 119.800 0.015 0.000 2.269 198 Q HA -0.069 4.271 4.340 -0.000 0.000 0.300 198 Q C 0.178 176.182 176.000 0.006 0.000 1.070 198 Q CA 0.099 55.910 55.803 0.012 0.000 0.957 198 Q CB 0.116 28.860 28.738 0.011 0.000 1.131 198 Q HN 0.366 nan 8.270 nan 0.000 0.377 199 D N 6.118 126.521 120.400 0.005 0.000 2.451 199 D HA -0.033 4.607 4.640 -0.000 0.000 0.254 199 D C -1.592 174.705 176.300 -0.004 0.000 1.204 199 D CA -1.292 52.709 54.000 0.002 0.000 0.896 199 D CB 1.104 41.906 40.800 0.003 0.000 1.136 199 D HN 0.459 nan 8.370 nan 0.000 0.499 200 P HA -0.055 nan 4.420 nan 0.000 0.234 200 P C 0.371 177.664 177.300 -0.012 0.000 1.167 200 P CA 0.499 63.593 63.100 -0.009 0.000 0.763 200 P CB 0.473 32.169 31.700 -0.007 0.000 0.835 201 N N -0.266 118.428 118.700 -0.010 0.000 2.254 201 N HA 0.041 4.781 4.740 -0.000 0.000 0.190 201 N C 0.473 175.974 175.510 -0.014 0.000 1.107 201 N CA 0.154 53.197 53.050 -0.011 0.000 0.869 201 N CB 1.138 39.620 38.487 -0.008 0.000 0.983 201 N HN 0.129 nan 8.380 nan 0.000 0.487 202 V N 0.989 120.894 119.914 -0.014 0.000 2.427 202 V HA 0.270 4.390 4.120 -0.000 0.000 0.286 202 V C -0.276 175.800 176.094 -0.031 0.000 1.034 202 V CA -0.847 61.442 62.300 -0.018 0.000 0.893 202 V CB 1.464 33.281 31.823 -0.010 0.000 0.982 202 V HN -0.076 nan 8.190 nan 0.000 0.452 203 D N 7.289 127.666 120.400 -0.038 0.000 2.502 203 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 203 D C -1.552 174.704 176.300 -0.074 0.000 1.188 203 D CA -1.310 52.654 54.000 -0.059 0.000 0.890 203 D CB 1.744 42.510 40.800 -0.057 0.000 1.140 203 D HN 0.465 nan 8.370 nan 0.000 0.505 204 P HA -0.164 nan 4.420 nan 0.000 0.216 204 P C 1.016 178.222 177.300 -0.158 0.000 1.150 204 P CA 1.843 64.871 63.100 -0.121 0.000 0.843 204 P CB 0.074 31.676 31.700 -0.164 0.000 0.787 205 A N -0.275 122.425 122.820 -0.201 0.000 1.978 205 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 205 A C 2.199 179.720 177.584 -0.105 0.000 1.170 205 A CA 2.477 54.394 52.037 -0.200 0.000 0.636 205 A CB -2.046 16.843 19.000 -0.186 0.000 0.810 205 A HN 0.376 nan 8.150 nan 0.000 0.448 206 T N -3.460 111.050 114.554 -0.074 0.000 3.098 206 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 206 T C 1.187 175.877 174.700 -0.018 0.000 1.145 206 T CA 1.280 63.358 62.100 -0.038 0.000 1.092 206 T CB -0.110 68.743 68.868 -0.026 0.000 0.908 206 T HN 0.408 nan 8.240 nan 0.000 0.526 207 Q N 0.270 120.057 119.800 -0.022 0.000 2.194 207 Q HA 0.350 4.690 4.340 -0.000 0.000 0.214 207 Q C -0.107 175.904 176.000 0.017 0.000 0.838 207 Q CA -0.212 55.596 55.803 0.008 0.000 0.972 207 Q CB 0.475 29.222 28.738 0.014 0.000 1.131 207 Q HN 0.491 nan 8.270 nan 0.000 0.498 208 I N 1.465 122.041 120.570 0.011 0.000 2.471 208 I HA 0.333 4.503 4.170 -0.000 0.000 0.286 208 I C 0.341 176.453 176.117 -0.009 0.000 1.079 208 I CA -0.680 60.651 61.300 0.052 0.000 1.398 208 I CB 0.390 38.465 38.000 0.125 0.000 1.403 208 I HN -0.113 nan 8.210 nan 0.000 0.530 209 A N 6.687 129.476 122.820 -0.053 0.000 2.374 209 A HA 0.798 5.118 4.320 -0.000 0.000 0.317 209 A C -0.849 176.638 177.584 -0.162 0.000 1.094 209 A CA -0.533 51.395 52.037 -0.182 0.000 0.765 209 A CB 1.676 20.457 19.000 -0.365 0.000 1.268 209 A HN 0.394 nan 8.150 nan 0.000 0.438 210 V N 2.707 122.498 119.914 -0.204 0.000 2.378 210 V HA 0.407 4.527 4.120 -0.000 0.000 0.288 210 V C -0.569 175.369 176.094 -0.261 0.000 1.016 210 V CA -0.151 62.038 62.300 -0.185 0.000 0.840 210 V CB 1.042 32.785 31.823 -0.134 0.000 0.994 210 V HN 0.735 nan 8.190 nan 0.000 0.431 211 L N 5.471 126.543 121.223 -0.251 0.000 2.322 211 L HA 0.541 4.880 4.340 -0.000 0.000 0.281 211 L C -0.757 175.991 176.870 -0.203 0.000 1.014 211 L CA -0.725 53.963 54.840 -0.253 0.000 0.815 211 L CB 1.789 43.709 42.059 -0.232 0.000 1.247 211 L HN 0.386 nan 8.230 nan 0.000 0.421 212 L N 4.290 125.370 121.223 -0.237 0.000 2.305 212 L HA 0.444 4.783 4.340 -0.000 0.000 0.281 212 L C -0.236 176.562 176.870 -0.120 0.000 1.085 212 L CA 0.086 54.754 54.840 -0.287 0.000 0.813 212 L CB 1.506 43.178 42.059 -0.645 0.000 1.157 212 L HN 0.215 nan 8.230 nan 0.000 0.436 213 V N 2.339 122.234 119.914 -0.032 0.000 2.525 213 V HA 0.647 4.766 4.120 -0.000 0.000 0.299 213 V C 0.150 176.320 176.094 0.126 0.000 1.034 213 V CA -0.596 61.774 62.300 0.117 0.000 0.863 213 V CB 1.958 33.886 31.823 0.176 0.000 0.999 213 V HN 0.914 nan 8.190 nan 0.000 0.423 214 T N 1.704 116.365 114.554 0.177 0.000 2.919 214 T HA 0.492 4.842 4.350 -0.000 0.000 0.282 214 T C 1.001 175.777 174.700 0.126 0.000 1.020 214 T CA -0.679 61.530 62.100 0.182 0.000 0.994 214 T CB 1.660 70.682 68.868 0.258 0.000 1.180 214 T HN 0.406 nan 8.240 nan 0.000 0.566 215 R N -0.012 120.553 120.500 0.108 0.000 2.120 215 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 215 R C 2.451 178.792 176.300 0.069 0.000 1.123 215 R CA 1.509 57.649 56.100 0.068 0.000 0.975 215 R CB -0.248 30.100 30.300 0.079 0.000 0.866 215 R HN 0.778 nan 8.270 nan 0.000 0.446 216 E N -0.071 120.182 120.200 0.088 0.000 2.051 216 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 216 E C 1.481 178.128 176.600 0.078 0.000 0.991 216 E CA 1.696 58.142 56.400 0.076 0.000 0.799 216 E CB 0.147 29.892 29.700 0.076 0.000 0.748 216 E HN 0.282 nan 8.360 nan 0.000 0.449 217 T N 1.169 115.793 114.554 0.117 0.000 2.737 217 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 217 T C 1.875 176.636 174.700 0.101 0.000 1.040 217 T CA 1.337 63.506 62.100 0.116 0.000 1.142 217 T CB -0.182 68.817 68.868 0.217 0.000 0.861 217 T HN 0.180 nan 8.240 nan 0.000 0.456 218 I N 1.194 121.871 120.570 0.177 0.000 2.277 218 I HA -0.044 4.126 4.170 -0.000 0.000 0.243 218 I C 2.955 179.123 176.117 0.085 0.000 1.094 218 I CA 0.881 62.289 61.300 0.179 0.000 1.393 218 I CB -0.501 37.424 38.000 -0.124 0.000 1.078 218 I HN 0.168 nan 8.210 nan 0.000 0.417 219 A N 1.073 123.924 122.820 0.053 0.000 1.978 219 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 219 A C 1.883 179.482 177.584 0.025 0.000 1.170 219 A CA 1.922 53.986 52.037 0.044 0.000 0.636 219 A CB -0.654 18.371 19.000 0.042 0.000 0.810 219 A HN 0.430 nan 8.150 nan 0.000 0.448 220 N N 0.489 119.191 118.700 0.004 0.000 2.515 220 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 220 N C 0.040 175.510 175.510 -0.066 0.000 1.109 220 N CA 0.216 53.250 53.050 -0.027 0.000 0.903 220 N CB -0.190 38.279 38.487 -0.030 0.000 0.969 220 N HN 0.526 nan 8.380 nan 0.000 0.450 221 N N 0.781 119.439 118.700 -0.070 0.000 2.477 221 N HA 0.170 4.910 4.740 -0.000 0.000 0.284 221 N C -0.127 175.404 175.510 0.034 0.000 1.182 221 N CA -0.424 52.584 53.050 -0.069 0.000 0.949 221 N CB 1.576 39.951 38.487 -0.187 0.000 1.204 221 N HN -0.093 nan 8.380 nan 0.000 0.526 222 K N 1.277 121.711 120.400 0.056 0.000 2.414 222 K HA -0.000 4.320 4.320 -0.000 0.000 0.272 222 K C 1.265 177.941 176.600 0.126 0.000 0.993 222 K CA -0.171 56.164 56.287 0.079 0.000 0.964 222 K CB 0.760 33.306 32.500 0.078 0.000 0.925 222 K HN 0.324 nan 8.250 nan 0.000 0.487 223 K N 1.965 122.427 120.400 0.103 0.000 2.059 223 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 223 K C 1.179 177.856 176.600 0.129 0.000 1.050 223 K CA 2.182 58.538 56.287 0.114 0.000 0.927 223 K CB -0.292 32.256 32.500 0.079 0.000 0.714 223 K HN 0.753 nan 8.250 nan 0.000 0.447 224 D N -0.312 120.151 120.400 0.105 0.000 2.349 224 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 224 D C 1.351 177.726 176.300 0.125 0.000 1.029 224 D CA 0.614 54.664 54.000 0.084 0.000 0.879 224 D CB 0.018 40.851 40.800 0.054 0.000 0.906 224 D HN 0.086 nan 8.370 nan 0.000 0.528 225 A N -0.568 122.385 122.820 0.222 0.000 2.016 225 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 225 A C 0.301 178.131 177.584 0.411 0.000 1.162 225 A CA 0.409 52.661 52.037 0.359 0.000 0.662 225 A CB -0.466 18.805 19.000 0.452 0.000 0.812 225 A HN 0.370 nan 8.150 nan 0.000 0.450 226 Y N 0.537 120.908 120.300 0.118 0.000 2.402 226 Y HA 0.498 5.048 4.550 -0.000 0.000 0.325 226 Y C -0.699 175.082 175.900 -0.199 0.000 1.009 226 Y CA -0.695 57.298 58.100 -0.178 0.000 1.278 226 Y CB 0.783 39.181 38.460 -0.104 0.000 1.105 226 Y HN 0.236 nan 8.280 nan 0.000 0.476 227 Q N 6.268 125.760 119.800 -0.512 0.000 2.331 227 Q HA 0.465 4.805 4.340 -0.000 0.000 0.267 227 Q C -1.034 174.580 176.000 -0.644 0.000 1.006 227 Q CA -1.068 54.474 55.803 -0.434 0.000 0.818 227 Q CB 2.288 30.850 28.738 -0.294 0.000 1.276 227 Q HN 0.561 nan 8.270 nan 0.000 0.450 228 I N 4.548 124.773 120.570 -0.575 0.000 2.308 228 I HA 0.025 4.195 4.170 -0.000 0.000 0.293 228 I C 0.987 176.819 176.117 -0.475 0.000 1.078 228 I CA 0.334 61.244 61.300 -0.651 0.000 1.292 228 I CB 0.250 37.688 38.000 -0.938 0.000 1.423 228 I HN 0.717 nan 8.210 nan 0.000 0.493 229 L N 5.263 126.188 121.223 -0.496 0.000 2.418 229 L HA 0.264 4.604 4.340 -0.000 0.000 0.218 229 L C 1.075 177.804 176.870 -0.235 0.000 1.125 229 L CA 0.210 54.810 54.840 -0.399 0.000 0.835 229 L CB -0.158 41.526 42.059 -0.626 0.000 0.953 229 L HN 0.801 nan 8.230 nan 0.000 0.454 230 G N -0.220 108.453 108.800 -0.211 0.000 2.328 230 G HA2 0.332 4.292 3.960 -0.000 0.000 0.295 230 G HA3 0.332 4.292 3.960 -0.000 0.000 0.295 230 G C -1.942 172.903 174.900 -0.092 0.000 1.413 230 G CA -0.522 44.521 45.100 -0.096 0.000 0.817 230 G HN -0.128 nan 8.290 nan 0.000 0.546 231 E N 0.613 120.795 120.200 -0.031 0.000 2.279 231 E HA 0.624 4.974 4.350 -0.000 0.000 0.252 231 E C -2.445 174.131 176.600 -0.040 0.000 0.894 231 E CA -1.562 54.833 56.400 -0.009 0.000 0.785 231 E CB 1.634 31.405 29.700 0.118 0.000 1.237 231 E HN 0.310 nan 8.360 nan 0.000 0.418 232 P HA 0.014 nan 4.420 nan 0.000 0.265 232 P C -0.824 176.477 177.300 0.001 0.000 1.187 232 P CA 0.179 63.221 63.100 -0.097 0.000 0.766 232 P CB 0.536 32.123 31.700 -0.187 0.000 0.820 233 E N 2.958 123.170 120.200 0.019 0.000 2.046 233 E HA 0.240 4.590 4.350 -0.000 0.000 0.279 233 E C -0.141 176.497 176.600 0.063 0.000 0.989 233 E CA -0.258 56.165 56.400 0.039 0.000 0.798 233 E CB 0.548 30.265 29.700 0.030 0.000 1.086 233 E HN 0.391 nan 8.360 nan 0.000 0.399 234 L N 1.310 122.579 121.223 0.075 0.000 2.379 234 L HA 0.323 4.663 4.340 -0.000 0.000 0.269 234 L C 1.624 178.521 176.870 0.046 0.000 1.084 234 L CA -0.499 54.397 54.840 0.093 0.000 0.802 234 L CB 1.155 43.285 42.059 0.118 0.000 1.175 234 L HN 0.510 nan 8.230 nan 0.000 0.448 235 A N 2.433 125.272 122.820 0.032 0.000 1.865 235 A HA 0.062 4.381 4.320 -0.000 0.000 0.217 235 A C 0.989 178.549 177.584 -0.039 0.000 1.191 235 A CA 1.732 53.765 52.037 -0.006 0.000 0.623 235 A CB -0.562 18.427 19.000 -0.018 0.000 0.826 235 A HN 0.834 nan 8.150 nan 0.000 0.444 236 G N -4.878 103.890 108.800 -0.055 0.000 2.818 236 G HA2 0.486 4.446 3.960 -0.000 0.000 0.286 236 G HA3 0.486 4.446 3.960 -0.000 0.000 0.286 236 G C -0.506 174.346 174.900 -0.080 0.000 1.364 236 G CA -0.078 44.932 45.100 -0.151 0.000 0.938 236 G HN 0.485 nan 8.290 nan 0.000 0.490 237 H N -0.846 118.183 119.070 -0.069 0.000 2.748 237 H HA -0.166 4.390 4.556 -0.000 0.000 0.322 237 H C 1.525 176.824 175.328 -0.047 0.000 1.208 237 H CA 1.013 57.033 56.048 -0.047 0.000 1.151 237 H CB -1.422 28.327 29.762 -0.022 0.000 1.505 237 H HN 0.713 nan 8.280 nan 0.000 0.429 238 I N -1.973 118.575 120.570 -0.036 0.000 3.444 238 I HA -0.051 4.119 4.170 -0.000 0.000 0.287 238 I C 1.786 177.874 176.117 -0.049 0.000 1.302 238 I CA 1.492 62.776 61.300 -0.027 0.000 1.368 238 I CB 0.040 38.025 38.000 -0.025 0.000 1.048 238 I HN 0.245 nan 8.210 nan 0.000 0.487 239 T N -2.868 111.621 114.554 -0.108 0.000 3.092 239 T HA 0.150 4.500 4.350 -0.000 0.000 0.258 239 T C 0.723 175.513 174.700 0.150 0.000 1.031 239 T CA -0.172 61.886 62.100 -0.070 0.000 0.925 239 T CB -0.280 68.374 68.868 -0.356 0.000 1.036 239 T HN 0.271 nan 8.240 nan 0.000 0.544 240 T N 1.597 116.203 114.554 0.087 0.000 2.922 240 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 240 T C -0.560 174.010 174.700 -0.216 0.000 1.005 240 T CA -0.404 61.695 62.100 -0.001 0.000 1.061 240 T CB 1.332 70.221 68.868 0.036 0.000 1.007 240 T HN 0.295 nan 8.240 nan 0.000 0.502 241 S N 1.571 116.845 115.700 -0.711 0.000 2.449 241 S HA 0.703 5.173 4.470 -0.000 0.000 0.310 241 S C -0.070 174.306 174.600 -0.373 0.000 1.096 241 S CA -0.413 57.423 58.200 -0.606 0.000 1.095 241 S CB 0.768 63.324 63.200 -1.073 0.000 1.007 241 S HN 0.979 nan 8.310 nan 0.000 0.474 242 G N 5.488 114.194 108.800 -0.156 0.000 3.829 242 G HA2 0.403 4.363 3.960 -0.000 0.000 0.289 242 G HA3 0.403 4.363 3.960 -0.000 0.000 0.289 242 G C -3.081 171.764 174.900 -0.092 0.000 1.274 242 G CA -0.919 44.138 45.100 -0.072 0.000 0.698 242 G HN 0.553 nan 8.290 nan 0.000 0.488 243 P HA 0.102 nan 4.420 nan 0.000 0.277 243 P C -0.710 176.471 177.300 -0.197 0.000 1.276 243 P CA -0.294 62.700 63.100 -0.177 0.000 0.788 243 P CB 1.000 32.538 31.700 -0.270 0.000 1.114 244 H N -0.611 118.247 119.070 -0.354 0.000 2.594 244 H HA 0.327 4.883 4.556 -0.000 0.000 0.304 244 H C -0.778 174.309 175.328 -0.401 0.000 1.068 244 H CA -0.416 55.418 56.048 -0.357 0.000 1.308 244 H CB 0.264 29.828 29.762 -0.330 0.000 1.409 244 H HN 0.201 nan 8.280 nan 0.000 0.460 245 T N 6.155 120.540 114.554 -0.282 0.000 2.829 245 T HA 0.266 4.616 4.350 -0.000 0.000 0.280 245 T C -0.280 174.092 174.700 -0.548 0.000 0.999 245 T CA -0.764 60.982 62.100 -0.590 0.000 0.983 245 T CB 1.515 69.959 68.868 -0.706 0.000 0.968 245 T HN 0.584 nan 8.240 nan 0.000 0.446 246 R N 2.255 122.360 120.500 -0.657 0.000 2.387 246 R HA 0.518 4.858 4.340 -0.000 0.000 0.314 246 R C -1.459 174.524 176.300 -0.529 0.000 0.958 246 R CA -0.641 55.193 56.100 -0.443 0.000 0.846 246 R CB 0.587 30.690 30.300 -0.329 0.000 1.147 246 R HN 0.472 nan 8.270 nan 0.000 0.447 247 F N 2.307 122.170 119.950 -0.145 0.000 2.385 247 F HA 0.300 4.827 4.527 -0.000 0.000 0.360 247 F C 0.073 175.892 175.800 0.032 0.000 1.122 247 F CA -0.283 57.683 58.000 -0.057 0.000 1.090 247 F CB 2.252 41.220 39.000 -0.054 0.000 1.150 247 F HN 0.316 nan 8.300 nan 0.000 0.472 248 T N 3.559 118.259 114.554 0.244 0.000 2.864 248 T HA 0.226 4.576 4.350 -0.000 0.000 0.310 248 T C -0.422 174.420 174.700 0.238 0.000 1.040 248 T CA -0.788 61.425 62.100 0.188 0.000 0.977 248 T CB 0.892 69.821 68.868 0.103 0.000 0.976 248 T HN 0.491 nan 8.240 nan 0.000 0.459 249 E N 1.291 121.607 120.200 0.192 0.000 2.252 249 E HA -0.204 4.146 4.350 -0.000 0.000 0.218 249 E C -0.709 175.999 176.600 0.180 0.000 1.253 249 E CA 0.345 56.825 56.400 0.133 0.000 0.705 249 E CB -1.093 28.689 29.700 0.137 0.000 1.172 249 E HN 0.733 nan 8.360 nan 0.000 0.369 250 F N 1.696 121.700 119.950 0.090 0.000 2.411 250 F HA 0.168 4.695 4.527 -0.000 0.000 0.355 250 F C 0.951 176.782 175.800 0.053 0.000 1.117 250 F CA -0.489 57.621 58.000 0.184 0.000 1.139 250 F CB 0.551 39.786 39.000 0.393 0.000 1.120 250 F HN 0.004 nan 8.300 nan 0.000 0.493 251 H N 5.862 124.727 119.070 -0.342 0.000 2.604 251 H HA 0.422 4.978 4.556 -0.000 0.000 0.306 251 H C -0.768 174.443 175.328 -0.195 0.000 1.075 251 H CA -0.366 55.576 56.048 -0.177 0.000 1.357 251 H CB 1.538 31.212 29.762 -0.147 0.000 1.426 251 H HN 0.327 nan 8.280 nan 0.000 0.470 252 V N 6.751 126.728 119.914 0.106 0.000 2.483 252 V HA 0.180 4.300 4.120 -0.000 0.000 0.297 252 V C -2.124 174.100 176.094 0.216 0.000 1.027 252 V CA -1.953 60.436 62.300 0.148 0.000 0.855 252 V CB 1.995 33.925 31.823 0.179 0.000 0.995 252 V HN 0.656 nan 8.190 nan 0.000 0.424 253 P HA -0.040 nan 4.420 nan 0.000 0.265 253 P C 0.541 178.014 177.300 0.287 0.000 1.187 253 P CA 0.378 63.603 63.100 0.209 0.000 0.766 253 P CB 0.553 32.348 31.700 0.159 0.000 0.820 254 H N 3.131 122.361 119.070 0.266 0.000 2.489 254 H HA -0.174 4.382 4.556 -0.000 0.000 0.295 254 H C 1.603 177.064 175.328 0.222 0.000 1.082 254 H CA 2.179 58.446 56.048 0.366 0.000 1.295 254 H CB 0.008 29.942 29.762 0.287 0.000 1.380 254 H HN 0.541 nan 8.280 nan 0.000 0.548 255 E N -0.815 119.459 120.200 0.122 0.000 2.478 255 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 255 E C 1.143 177.778 176.600 0.058 0.000 1.046 255 E CA 0.853 57.290 56.400 0.062 0.000 0.870 255 E CB -0.118 29.660 29.700 0.130 0.000 0.818 255 E HN 0.597 nan 8.360 nan 0.000 0.527 256 N N 0.431 119.157 118.700 0.044 0.000 2.336 256 N HA 0.063 4.803 4.740 -0.000 0.000 0.189 256 N C -0.386 175.020 175.510 -0.174 0.000 1.113 256 N CA -0.366 52.673 53.050 -0.019 0.000 0.858 256 N CB 0.309 38.815 38.487 0.033 0.000 0.970 256 N HN 0.123 nan 8.380 nan 0.000 0.471 257 L N 2.091 123.173 121.223 -0.234 0.000 2.418 257 L HA 0.030 4.370 4.340 -0.000 0.000 0.274 257 L C 1.113 177.827 176.870 -0.261 0.000 1.135 257 L CA 0.200 54.826 54.840 -0.357 0.000 0.870 257 L CB 0.718 42.473 42.059 -0.507 0.000 1.154 257 L HN 0.016 nan 8.230 nan 0.000 0.462 258 L N 6.246 127.319 121.223 -0.249 0.000 2.046 258 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 258 L C 0.813 177.598 176.870 -0.141 0.000 1.077 258 L CA 1.746 56.472 54.840 -0.189 0.000 0.747 258 L CB -0.103 41.843 42.059 -0.188 0.000 0.896 258 L HN 0.928 nan 8.230 nan 0.000 0.432 259 C N -5.478 113.732 119.300 -0.150 0.000 3.276 259 C HA 0.481 4.941 4.460 -0.000 0.000 0.370 259 C C 0.256 175.187 174.990 -0.099 0.000 1.624 259 C CA -0.740 58.217 59.018 -0.102 0.000 1.179 259 C CB 0.597 28.288 27.740 -0.082 0.000 1.909 259 C HN 0.135 nan 8.230 nan 0.000 0.434 260 T N 3.476 118.001 114.554 -0.048 0.000 2.829 260 T HA 0.358 4.707 4.350 -0.000 0.000 0.293 260 T C -2.388 172.290 174.700 -0.037 0.000 0.970 260 T CA 0.585 62.677 62.100 -0.014 0.000 1.168 260 T CB -0.086 68.790 68.868 0.013 0.000 0.911 260 T HN 0.654 nan 8.240 nan 0.000 0.535 261 P HA 0.319 nan 4.420 nan 0.000 0.264 261 P C 0.658 177.952 177.300 -0.010 0.000 1.179 261 P CA 0.833 63.908 63.100 -0.042 0.000 0.763 261 P CB 0.294 31.992 31.700 -0.004 0.000 0.806 262 G N 0.647 109.436 108.800 -0.017 0.000 2.306 262 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.262 262 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.262 262 G C 0.516 175.399 174.900 -0.029 0.000 1.263 262 G CA -0.403 44.686 45.100 -0.017 0.000 1.088 262 G HN 0.400 nan 8.290 nan 0.000 0.489 263 L N 0.397 121.599 121.223 -0.035 0.000 2.137 263 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 263 L C 3.051 179.892 176.870 -0.048 0.000 1.085 263 L CA 2.061 56.875 54.840 -0.044 0.000 0.760 263 L CB -0.530 41.505 42.059 -0.041 0.000 0.893 263 L HN 0.511 nan 8.230 nan 0.000 0.434 264 K N 0.180 120.553 120.400 -0.046 0.000 2.025 264 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 264 K C 2.296 178.861 176.600 -0.058 0.000 1.049 264 K CA 1.411 57.663 56.287 -0.058 0.000 0.933 264 K CB -0.256 32.213 32.500 -0.051 0.000 0.714 264 K HN 0.293 nan 8.250 nan 0.000 0.438 265 A N 1.743 124.536 122.820 -0.044 0.000 1.877 265 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 265 A C 2.227 179.823 177.584 0.020 0.000 1.186 265 A CA 1.377 53.394 52.037 -0.032 0.000 0.620 265 A CB -0.505 18.470 19.000 -0.042 0.000 0.822 265 A HN 0.253 nan 8.150 nan 0.000 0.443 266 Q N -0.093 119.731 119.800 0.039 0.000 2.135 266 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 266 Q C 2.087 178.126 176.000 0.064 0.000 0.981 266 Q CA 2.026 57.890 55.803 0.102 0.000 0.856 266 Q CB -0.759 27.977 28.738 -0.003 0.000 0.902 266 Q HN 0.586 nan 8.270 nan 0.000 0.425 267 G N 0.760 109.542 108.800 -0.030 0.000 2.408 267 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 267 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 267 G C 1.603 176.417 174.900 -0.145 0.000 1.150 267 G CA 0.575 45.605 45.100 -0.117 0.000 0.776 267 G HN 0.335 nan 8.290 nan 0.000 0.542 268 L N 0.177 121.342 121.223 -0.097 0.000 2.027 268 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 268 L C 3.013 179.851 176.870 -0.053 0.000 1.074 268 L CA 0.515 55.295 54.840 -0.100 0.000 0.745 268 L CB -0.516 41.490 42.059 -0.089 0.000 0.898 268 L HN 0.090 nan 8.230 nan 0.000 0.433 269 V N -0.018 119.913 119.914 0.028 0.000 2.255 269 V HA -0.333 3.786 4.120 -0.000 0.000 0.247 269 V C 2.488 178.689 176.094 0.179 0.000 1.051 269 V CA 2.183 64.546 62.300 0.106 0.000 1.018 269 V CB -0.563 31.386 31.823 0.210 0.000 0.641 269 V HN 0.527 nan 8.190 nan 0.000 0.445 270 E N -0.139 120.171 120.200 0.183 0.000 2.118 270 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 270 E C 2.168 178.909 176.600 0.235 0.000 0.992 270 E CA 1.980 58.519 56.400 0.232 0.000 0.804 270 E CB -0.096 29.729 29.700 0.207 0.000 0.741 270 E HN 0.672 nan 8.360 nan 0.000 0.458 271 T N 0.527 115.095 114.554 0.024 0.000 2.770 271 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 271 T C 1.905 176.641 174.700 0.061 0.000 1.039 271 T CA 1.165 63.242 62.100 -0.038 0.000 1.142 271 T CB -0.345 68.306 68.868 -0.362 0.000 0.868 271 T HN 0.339 nan 8.240 nan 0.000 0.435 272 A N 1.097 123.895 122.820 -0.036 0.000 1.873 272 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 272 A C 2.020 179.525 177.584 -0.132 0.000 1.193 272 A CA 1.640 53.597 52.037 -0.132 0.000 0.629 272 A CB -1.197 17.646 19.000 -0.261 0.000 0.826 272 A HN 0.515 nan 8.150 nan 0.000 0.447 273 F N -0.363 119.556 119.950 -0.051 0.000 2.407 273 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 273 F C 2.638 178.431 175.800 -0.012 0.000 1.097 273 F CA 0.679 58.634 58.000 -0.075 0.000 1.422 273 F CB 0.026 38.946 39.000 -0.134 0.000 1.067 273 F HN 0.287 nan 8.300 nan 0.000 0.539 274 A N -0.410 122.564 122.820 0.258 0.000 1.970 274 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 274 A C 2.126 179.794 177.584 0.139 0.000 1.170 274 A CA 1.016 53.181 52.037 0.213 0.000 0.645 274 A CB -0.507 18.702 19.000 0.348 0.000 0.816 274 A HN 0.317 nan 8.150 nan 0.000 0.447 275 M N -0.492 119.189 119.600 0.133 0.000 2.099 275 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 275 M C 2.529 178.841 176.300 0.019 0.000 1.067 275 M CA 1.406 56.748 55.300 0.070 0.000 1.124 275 M CB -0.332 32.296 32.600 0.047 0.000 1.353 275 M HN 0.455 nan 8.290 nan 0.000 0.410 276 A N 0.436 123.245 122.820 -0.017 0.000 1.908 276 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 276 A C 2.352 179.920 177.584 -0.027 0.000 1.181 276 A CA 2.017 54.021 52.037 -0.055 0.000 0.627 276 A CB -1.084 17.844 19.000 -0.120 0.000 0.818 276 A HN 0.516 nan 8.150 nan 0.000 0.445 277 A N -0.211 122.620 122.820 0.018 0.000 1.892 277 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 277 A C 2.492 180.084 177.584 0.013 0.000 1.188 277 A CA 2.495 54.542 52.037 0.017 0.000 0.631 277 A CB -0.992 18.029 19.000 0.035 0.000 0.822 277 A HN 1.144 nan 8.150 nan 0.000 0.447 278 A N -0.982 121.851 122.820 0.021 0.000 1.970 278 A HA 0.186 4.506 4.320 -0.000 0.000 0.216 278 A C 2.143 179.744 177.584 0.029 0.000 1.170 278 A CA 1.172 53.227 52.037 0.030 0.000 0.645 278 A CB -0.414 18.609 19.000 0.038 0.000 0.816 278 A HN 0.446 nan 8.150 nan 0.000 0.447 279 L N -0.939 120.291 121.223 0.012 0.000 2.109 279 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 279 L C 2.442 179.284 176.870 -0.047 0.000 1.086 279 L CA 0.582 55.424 54.840 0.003 0.000 0.760 279 L CB -0.453 41.605 42.059 -0.000 0.000 0.910 279 L HN 0.211 nan 8.230 nan 0.000 0.437 280 V N 0.697 120.570 119.914 -0.068 0.000 2.363 280 V HA -0.343 3.777 4.120 -0.000 0.000 0.254 280 V C 2.563 178.555 176.094 -0.169 0.000 1.074 280 V CA 2.190 64.425 62.300 -0.108 0.000 1.069 280 V CB -1.109 30.699 31.823 -0.025 0.000 0.659 280 V HN 0.637 nan 8.190 nan 0.000 0.455 281 G N -0.940 107.812 108.800 -0.079 0.000 2.469 281 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 281 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 281 G C 1.709 176.550 174.900 -0.099 0.000 1.136 281 G CA 1.112 46.172 45.100 -0.067 0.000 0.759 281 G HN 0.686 nan 8.290 nan 0.000 0.562 282 A N 0.324 123.098 122.820 -0.077 0.000 1.929 282 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 282 A C 2.450 179.946 177.584 -0.147 0.000 1.176 282 A CA 1.632 53.646 52.037 -0.038 0.000 0.628 282 A CB -0.267 18.762 19.000 0.049 0.000 0.816 282 A HN 0.402 nan 8.150 nan 0.000 0.444 283 M N -0.433 118.930 119.600 -0.395 0.000 2.099 283 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 283 M C 2.557 178.453 176.300 -0.673 0.000 1.067 283 M CA 1.416 56.239 55.300 -0.794 0.000 1.124 283 M CB -0.452 31.354 32.600 -1.324 0.000 1.353 283 M HN 0.416 nan 8.290 nan 0.000 0.410 284 A N 0.911 123.252 122.820 -0.798 0.000 1.883 284 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 284 A C 2.128 179.645 177.584 -0.112 0.000 1.186 284 A CA 1.754 53.486 52.037 -0.509 0.000 0.624 284 A CB -1.089 17.728 19.000 -0.304 0.000 0.822 284 A HN 0.471 nan 8.150 nan 0.000 0.444 285 I N -0.280 120.233 120.570 -0.095 0.000 2.208 285 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 285 I C 2.701 178.850 176.117 0.053 0.000 1.097 285 I CA 1.130 62.422 61.300 -0.013 0.000 1.363 285 I CB -0.691 37.299 38.000 -0.015 0.000 1.051 285 I HN 0.405 nan 8.210 nan 0.000 0.413 286 G N 0.211 109.058 108.800 0.078 0.000 2.446 286 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 286 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 286 G C 1.665 176.683 174.900 0.196 0.000 1.168 286 G CA 1.541 46.747 45.100 0.177 0.000 0.771 286 G HN 0.290 nan 8.290 nan 0.000 0.551 287 T N 1.584 116.278 114.554 0.234 0.000 2.708 287 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 287 T C 2.819 177.629 174.700 0.183 0.000 1.037 287 T CA 1.619 63.870 62.100 0.252 0.000 1.146 287 T CB -0.414 68.700 68.868 0.411 0.000 0.865 287 T HN 0.370 nan 8.240 nan 0.000 0.435 288 A N 1.382 124.302 122.820 0.166 0.000 1.969 288 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 288 A C 2.283 179.971 177.584 0.173 0.000 1.169 288 A CA 1.576 53.701 52.037 0.146 0.000 0.635 288 A CB -0.542 18.513 19.000 0.093 0.000 0.810 288 A HN 0.397 nan 8.150 nan 0.000 0.445 289 R N -0.389 120.205 120.500 0.157 0.000 2.081 289 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 289 R C 2.310 178.736 176.300 0.210 0.000 1.131 289 R CA 1.343 57.568 56.100 0.208 0.000 0.960 289 R CB -0.378 30.016 30.300 0.157 0.000 0.856 289 R HN 0.445 nan 8.270 nan 0.000 0.436 290 A N 0.750 123.651 122.820 0.134 0.000 1.908 290 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 290 A C 2.344 179.935 177.584 0.011 0.000 1.181 290 A CA 1.773 53.842 52.037 0.052 0.000 0.627 290 A CB -0.800 18.213 19.000 0.022 0.000 0.818 290 A HN 0.534 nan 8.150 nan 0.000 0.445 291 A N -0.970 121.901 122.820 0.084 0.000 1.877 291 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 291 A C 2.086 179.857 177.584 0.312 0.000 1.186 291 A CA 1.707 53.853 52.037 0.182 0.000 0.620 291 A CB -0.806 18.381 19.000 0.312 0.000 0.822 291 A HN 0.830 nan 8.150 nan 0.000 0.443 292 F N 1.046 121.084 119.950 0.147 0.000 2.134 292 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 292 F C 2.086 177.955 175.800 0.115 0.000 1.097 292 F CA 2.206 60.283 58.000 0.129 0.000 1.264 292 F CB -0.319 38.730 39.000 0.081 0.000 1.001 292 F HN 0.368 nan 8.300 nan 0.000 0.479 293 E N -0.127 119.992 120.200 -0.136 0.000 2.107 293 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 293 E C 2.108 178.611 176.600 -0.162 0.000 0.982 293 E CA 1.184 57.427 56.400 -0.261 0.000 0.809 293 E CB -0.256 29.415 29.700 -0.049 0.000 0.756 293 E HN 0.609 nan 8.360 nan 0.000 0.459 294 E N 0.784 120.939 120.200 -0.076 0.000 2.077 294 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 294 E C 1.989 178.676 176.600 0.144 0.000 0.989 294 E CA 1.092 57.469 56.400 -0.038 0.000 0.800 294 E CB -0.035 29.502 29.700 -0.273 0.000 0.746 294 E HN 0.210 nan 8.360 nan 0.000 0.452 295 A N 0.715 123.691 122.820 0.260 0.000 1.930 295 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 295 A C 2.106 179.743 177.584 0.089 0.000 1.175 295 A CA 1.135 53.317 52.037 0.242 0.000 0.627 295 A CB -0.590 18.526 19.000 0.194 0.000 0.815 295 A HN 0.388 nan 8.150 nan 0.000 0.443 296 L N -0.021 121.111 121.223 -0.152 0.000 1.994 296 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 296 L C 2.384 179.192 176.870 -0.103 0.000 1.071 296 L CA 2.031 56.733 54.840 -0.230 0.000 0.745 296 L CB -0.593 41.117 42.059 -0.583 0.000 0.892 296 L HN 0.145 nan 8.230 nan 0.000 0.431 297 V N -0.495 119.372 119.914 -0.079 0.000 2.287 297 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 297 V C 2.350 178.445 176.094 0.002 0.000 1.053 297 V CA 2.177 64.451 62.300 -0.044 0.000 1.027 297 V CB -0.935 30.875 31.823 -0.022 0.000 0.646 297 V HN 0.536 nan 8.190 nan 0.000 0.447 298 F N 1.498 121.414 119.950 -0.056 0.000 2.126 298 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 298 F C 2.232 177.999 175.800 -0.055 0.000 1.096 298 F CA 1.657 59.639 58.000 -0.030 0.000 1.255 298 F CB -0.457 38.564 39.000 0.035 0.000 0.997 298 F HN 0.084 nan 8.300 nan 0.000 0.479 299 A N -0.371 122.455 122.820 0.010 0.000 2.067 299 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 299 A C 2.051 179.531 177.584 -0.173 0.000 1.156 299 A CA 0.998 52.994 52.037 -0.070 0.000 0.683 299 A CB -0.459 18.573 19.000 0.054 0.000 0.808 299 A HN 0.413 nan 8.150 nan 0.000 0.455 300 K N 0.069 120.336 120.400 -0.222 0.000 2.379 300 K HA 0.033 4.353 4.320 -0.000 0.000 0.194 300 K C 1.194 177.344 176.600 -0.750 0.000 1.031 300 K CA 1.063 57.159 56.287 -0.319 0.000 1.037 300 K CB 0.232 32.619 32.500 -0.189 0.000 0.824 300 K HN 0.580 nan 8.250 nan 0.000 0.516 301 S N -0.664 114.655 115.700 -0.635 0.000 2.666 301 S HA 0.118 4.587 4.470 -0.000 0.000 0.239 301 S C -0.044 174.280 174.600 -0.459 0.000 1.031 301 S CA -0.546 57.262 58.200 -0.654 0.000 1.015 301 S CB 0.527 63.537 63.200 -0.317 0.000 0.981 301 S HN 0.034 nan 8.310 nan 0.000 0.547 302 D N 1.739 121.854 120.400 -0.475 0.000 2.649 302 D HA 0.318 4.958 4.640 -0.000 0.000 0.249 302 D C 0.378 176.578 176.300 -0.167 0.000 1.112 302 D CA -0.053 53.709 54.000 -0.396 0.000 0.850 302 D CB 2.501 42.719 40.800 -0.971 0.000 1.399 302 D HN 0.181 nan 8.370 nan 0.000 0.503 303 T N 0.190 114.724 114.554 -0.033 0.000 3.060 303 T HA 0.057 4.407 4.350 -0.000 0.000 0.249 303 T C 0.878 175.598 174.700 0.034 0.000 1.079 303 T CA -0.163 61.951 62.100 0.023 0.000 1.013 303 T CB 0.136 69.013 68.868 0.014 0.000 0.975 303 T HN 0.489 nan 8.240 nan 0.000 0.518 304 R N 0.952 121.456 120.500 0.007 0.000 3.416 304 R HA -0.172 4.168 4.340 -0.000 0.000 0.263 304 R C 1.211 177.541 176.300 0.050 0.000 1.053 304 R CA 0.774 56.907 56.100 0.054 0.000 0.705 304 R CB -2.646 27.710 30.300 0.093 0.000 1.124 304 R HN 1.159 nan 8.270 nan 0.000 0.444 305 G N -2.215 106.607 108.800 0.036 0.000 2.143 305 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 305 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 305 G C 0.485 175.402 174.900 0.028 0.000 0.991 305 G CA 0.644 45.761 45.100 0.028 0.000 0.689 305 G HN 0.884 nan 8.290 nan 0.000 0.522 306 G N -1.068 107.754 108.800 0.037 0.000 2.938 306 G HA2 0.719 4.679 3.960 -0.000 0.000 0.258 306 G HA3 0.719 4.679 3.960 -0.000 0.000 0.258 306 G C 1.122 176.029 174.900 0.012 0.000 1.356 306 G CA 0.753 45.879 45.100 0.044 0.000 1.052 306 G HN 1.159 nan 8.290 nan 0.000 0.550 307 S N -1.635 114.067 115.700 0.004 0.000 2.503 307 S HA 0.193 4.663 4.470 -0.000 0.000 0.215 307 S C 0.664 175.208 174.600 -0.093 0.000 1.003 307 S CA 0.275 58.453 58.200 -0.037 0.000 0.910 307 S CB -0.218 62.965 63.200 -0.028 0.000 0.790 307 S HN 0.702 nan 8.310 nan 0.000 0.514 308 K N 0.252 120.593 120.400 -0.097 0.000 2.443 308 K HA 0.458 4.777 4.320 -0.000 0.000 0.251 308 K C -1.419 175.090 176.600 -0.153 0.000 0.972 308 K CA -0.925 55.245 56.287 -0.194 0.000 0.833 308 K CB 0.710 33.086 32.500 -0.207 0.000 1.317 308 K HN 0.185 nan 8.250 nan 0.000 0.441 309 H N 1.318 120.308 119.070 -0.133 0.000 3.064 309 H HA -0.029 4.527 4.556 -0.000 0.000 0.329 309 H C 1.332 176.553 175.328 -0.179 0.000 1.020 309 H CA 0.061 56.023 56.048 -0.143 0.000 1.402 309 H CB 0.531 30.218 29.762 -0.124 0.000 1.379 309 H HN 0.657 nan 8.280 nan 0.000 0.594 310 I N 1.189 121.769 120.570 0.017 0.000 2.700 310 I HA -0.147 4.023 4.170 -0.000 0.000 0.261 310 I C 2.003 178.141 176.117 0.035 0.000 1.219 310 I CA 1.178 62.522 61.300 0.074 0.000 1.463 310 I CB -0.233 37.873 38.000 0.177 0.000 1.092 310 I HN 0.604 nan 8.210 nan 0.000 0.452 311 I N 1.716 122.291 120.570 0.008 0.000 2.700 311 I HA -0.211 3.959 4.170 -0.000 0.000 0.261 311 I C 2.024 178.129 176.117 -0.020 0.000 1.219 311 I CA 1.296 62.606 61.300 0.017 0.000 1.463 311 I CB -0.175 37.832 38.000 0.012 0.000 1.092 311 I HN 0.268 nan 8.210 nan 0.000 0.452 312 E N -0.125 120.004 120.200 -0.119 0.000 2.482 312 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 312 E C 0.012 176.507 176.600 -0.174 0.000 1.047 312 E CA 0.347 56.652 56.400 -0.158 0.000 0.869 312 E CB -0.207 29.369 29.700 -0.207 0.000 0.836 312 E HN 0.559 nan 8.360 nan 0.000 0.520 313 H N 1.447 120.531 119.070 0.024 0.000 2.668 313 H HA 0.165 4.721 4.556 -0.000 0.000 0.303 313 H C 1.223 176.565 175.328 0.023 0.000 1.074 313 H CA -0.061 55.999 56.048 0.019 0.000 1.406 313 H CB 1.038 30.812 29.762 0.020 0.000 1.442 313 H HN 0.102 nan 8.280 nan 0.000 0.482 314 Q N 1.927 121.808 119.800 0.135 0.000 2.133 314 Q HA -0.155 4.185 4.340 -0.000 0.000 0.208 314 Q C 1.745 177.791 176.000 0.077 0.000 0.991 314 Q CA 1.913 57.765 55.803 0.082 0.000 0.867 314 Q CB 0.128 28.901 28.738 0.059 0.000 0.911 314 Q HN 0.518 nan 8.270 nan 0.000 0.417 315 S N -0.052 115.695 115.700 0.079 0.000 2.402 315 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 315 S C 2.082 176.721 174.600 0.065 0.000 1.021 315 S CA 0.973 59.205 58.200 0.053 0.000 0.974 315 S CB -0.062 63.154 63.200 0.027 0.000 0.800 315 S HN 0.156 nan 8.310 nan 0.000 0.484 316 V N 1.986 121.959 119.914 0.097 0.000 2.270 316 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 316 V C 2.690 178.840 176.094 0.094 0.000 1.043 316 V CA 1.638 63.999 62.300 0.102 0.000 1.014 316 V CB -1.262 30.647 31.823 0.143 0.000 0.645 316 V HN 0.522 nan 8.190 nan 0.000 0.447 317 A N -0.020 122.854 122.820 0.091 0.000 1.908 317 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 317 A C 1.978 179.609 177.584 0.078 0.000 1.181 317 A CA 2.202 54.288 52.037 0.081 0.000 0.627 317 A CB -0.736 18.303 19.000 0.065 0.000 0.818 317 A HN 0.546 nan 8.150 nan 0.000 0.445 318 D N -0.121 120.318 120.400 0.065 0.000 2.123 318 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 318 D C 1.927 178.261 176.300 0.057 0.000 0.992 318 D CA 1.226 55.257 54.000 0.052 0.000 0.833 318 D CB -0.155 40.669 40.800 0.041 0.000 0.954 318 D HN 0.242 nan 8.370 nan 0.000 0.455 319 K N 0.429 120.867 120.400 0.063 0.000 2.032 319 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 319 K C 2.417 179.082 176.600 0.108 0.000 1.048 319 K CA 0.506 56.834 56.287 0.069 0.000 0.927 319 K CB -0.735 31.803 32.500 0.062 0.000 0.712 319 K HN 0.274 nan 8.250 nan 0.000 0.441 320 L N 0.427 121.739 121.223 0.147 0.000 2.093 320 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 320 L C 2.445 179.442 176.870 0.212 0.000 1.085 320 L CA 0.702 55.699 54.840 0.261 0.000 0.755 320 L CB -0.403 41.812 42.059 0.260 0.000 0.904 320 L HN 0.064 nan 8.230 nan 0.000 0.435 321 I N 0.067 120.710 120.570 0.120 0.000 2.163 321 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 321 I C 2.153 178.276 176.117 0.010 0.000 1.085 321 I CA 1.354 62.688 61.300 0.057 0.000 1.347 321 I CB -0.403 37.624 38.000 0.045 0.000 1.044 321 I HN 0.280 nan 8.210 nan 0.000 0.408 322 D N 0.534 120.948 120.400 0.024 0.000 2.104 322 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 322 D C 2.289 178.574 176.300 -0.026 0.000 0.994 322 D CA 1.319 55.321 54.000 0.004 0.000 0.830 322 D CB -0.610 40.201 40.800 0.017 0.000 0.959 322 D HN 0.382 nan 8.370 nan 0.000 0.452 323 C N 0.727 120.024 119.300 -0.005 0.000 2.393 323 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 323 C C 2.564 177.378 174.990 -0.293 0.000 1.215 323 C CA 0.669 59.652 59.018 -0.059 0.000 1.743 323 C CB -0.674 27.148 27.740 0.137 0.000 2.044 323 C HN 0.247 nan 8.230 nan 0.000 0.464 324 K N 1.198 121.332 120.400 -0.443 0.000 2.032 324 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 324 K C 1.613 178.036 176.600 -0.296 0.000 1.048 324 K CA 1.650 57.580 56.287 -0.595 0.000 0.927 324 K CB -0.803 31.464 32.500 -0.389 0.000 0.712 324 K HN 0.534 nan 8.250 nan 0.000 0.441 325 I N 0.435 120.908 120.570 -0.162 0.000 2.163 325 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 325 I C 2.385 178.468 176.117 -0.057 0.000 1.085 325 I CA 1.410 62.656 61.300 -0.090 0.000 1.347 325 I CB -0.213 37.762 38.000 -0.042 0.000 1.044 325 I HN 0.186 nan 8.210 nan 0.000 0.408 326 R N 0.463 120.928 120.500 -0.058 0.000 2.083 326 R HA -0.172 4.167 4.340 -0.000 0.000 0.237 326 R C 2.320 178.593 176.300 -0.044 0.000 1.137 326 R CA 1.368 57.450 56.100 -0.029 0.000 0.951 326 R CB -0.538 29.713 30.300 -0.081 0.000 0.851 326 R HN 0.362 nan 8.270 nan 0.000 0.434 327 L N 0.268 121.413 121.223 -0.130 0.000 2.046 327 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 327 L C 2.579 179.369 176.870 -0.134 0.000 1.077 327 L CA 1.252 56.008 54.840 -0.140 0.000 0.747 327 L CB -0.341 41.580 42.059 -0.230 0.000 0.896 327 L HN 0.153 nan 8.230 nan 0.000 0.432 328 E N 0.200 120.306 120.200 -0.156 0.000 2.047 328 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 328 E C 2.125 178.637 176.600 -0.147 0.000 0.987 328 E CA 2.050 58.346 56.400 -0.173 0.000 0.799 328 E CB -0.210 29.387 29.700 -0.171 0.000 0.752 328 E HN 0.499 nan 8.360 nan 0.000 0.449 329 T N -1.842 112.670 114.554 -0.070 0.000 2.720 329 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 329 T C 2.184 176.888 174.700 0.006 0.000 1.037 329 T CA 1.607 63.681 62.100 -0.044 0.000 1.144 329 T CB -0.653 68.222 68.868 0.012 0.000 0.864 329 T HN 0.021 nan 8.240 nan 0.000 0.444 330 S N 1.145 116.916 115.700 0.117 0.000 2.356 330 S HA -0.048 4.422 4.470 -0.000 0.000 0.223 330 S C 2.148 176.730 174.600 -0.031 0.000 1.032 330 S CA 1.187 59.466 58.200 0.132 0.000 1.005 330 S CB -0.398 62.847 63.200 0.075 0.000 0.867 330 S HN 0.549 nan 8.310 nan 0.000 0.449 331 R N 0.843 121.249 120.500 -0.157 0.000 2.075 331 R HA 0.025 4.365 4.340 -0.000 0.000 0.232 331 R C 2.178 178.195 176.300 -0.472 0.000 1.126 331 R CA 0.973 56.861 56.100 -0.353 0.000 0.963 331 R CB -0.365 29.644 30.300 -0.485 0.000 0.858 331 R HN 0.352 nan 8.270 nan 0.000 0.435 332 L N 0.625 121.648 121.223 -0.333 0.000 2.042 332 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 332 L C 2.441 179.296 176.870 -0.026 0.000 1.076 332 L CA 0.754 55.489 54.840 -0.175 0.000 0.749 332 L CB -0.409 41.573 42.059 -0.128 0.000 0.893 332 L HN 0.255 nan 8.230 nan 0.000 0.432 333 L N -0.779 120.419 121.223 -0.041 0.000 2.056 333 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 333 L C 2.355 179.262 176.870 0.062 0.000 1.078 333 L CA 1.452 56.295 54.840 0.004 0.000 0.749 333 L CB -0.268 41.775 42.059 -0.027 0.000 0.901 333 L HN -0.084 nan 8.230 nan 0.000 0.433 334 V N -1.361 118.594 119.914 0.067 0.000 2.295 334 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 334 V C 2.248 178.521 176.094 0.298 0.000 1.049 334 V CA 1.962 64.352 62.300 0.150 0.000 1.024 334 V CB -0.925 30.989 31.823 0.152 0.000 0.648 334 V HN 0.534 nan 8.190 nan 0.000 0.447 335 W N 0.553 121.879 121.300 0.043 0.000 2.388 335 W HA -0.066 4.594 4.660 -0.000 0.000 0.294 335 W C 2.494 179.029 176.519 0.026 0.000 1.212 335 W CA 1.179 58.550 57.345 0.043 0.000 1.271 335 W CB -0.995 28.508 29.460 0.072 0.000 1.126 335 W HN 0.213 nan 8.180 nan 0.000 0.535 336 K N 0.980 121.527 120.400 0.245 0.000 2.057 336 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 336 K C 2.106 178.756 176.600 0.082 0.000 1.049 336 K CA 2.197 58.558 56.287 0.124 0.000 0.931 336 K CB -0.823 31.727 32.500 0.083 0.000 0.714 336 K HN -0.075 nan 8.250 nan 0.000 0.440 337 A N 0.434 123.305 122.820 0.086 0.000 1.858 337 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 337 A C 2.352 179.968 177.584 0.052 0.000 1.190 337 A CA 2.257 54.325 52.037 0.052 0.000 0.617 337 A CB -1.179 17.851 19.000 0.049 0.000 0.827 337 A HN 0.307 nan 8.150 nan 0.000 0.443 338 V N -3.087 116.875 119.914 0.079 0.000 2.427 338 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 338 V C 2.174 178.291 176.094 0.039 0.000 1.051 338 V CA 2.724 65.059 62.300 0.059 0.000 1.048 338 V CB -1.715 30.146 31.823 0.062 0.000 0.666 338 V HN 0.403 nan 8.190 nan 0.000 0.456 339 T N 0.851 115.429 114.554 0.040 0.000 2.708 339 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 339 T C 1.955 176.664 174.700 0.015 0.000 1.037 339 T CA 2.621 64.732 62.100 0.019 0.000 1.146 339 T CB -0.628 68.254 68.868 0.023 0.000 0.865 339 T HN 0.719 nan 8.240 nan 0.000 0.435 340 T N 2.301 116.865 114.554 0.016 0.000 2.699 340 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 340 T C 1.889 176.596 174.700 0.013 0.000 1.036 340 T CA 1.078 63.181 62.100 0.004 0.000 1.147 340 T CB -0.465 68.397 68.868 -0.010 0.000 0.862 340 T HN 0.255 nan 8.240 nan 0.000 0.446 341 L N 0.447 121.685 121.223 0.025 0.000 2.275 341 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 341 L C 2.360 179.276 176.870 0.076 0.000 1.119 341 L CA 1.167 56.044 54.840 0.062 0.000 0.790 341 L CB -0.362 41.743 42.059 0.076 0.000 0.919 341 L HN 0.312 nan 8.230 nan 0.000 0.443 342 E N -1.064 119.164 120.200 0.046 0.000 2.489 342 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 342 E C 0.089 176.708 176.600 0.031 0.000 1.057 342 E CA -0.155 56.267 56.400 0.035 0.000 0.866 342 E CB 0.196 29.907 29.700 0.017 0.000 0.916 342 E HN 0.205 nan 8.360 nan 0.000 0.500 343 D N 1.279 121.699 120.400 0.033 0.000 2.365 343 D HA 0.018 4.658 4.640 -0.000 0.000 0.237 343 D C 0.415 176.739 176.300 0.041 0.000 1.190 343 D CA 0.103 54.119 54.000 0.027 0.000 0.867 343 D CB 0.837 41.647 40.800 0.017 0.000 1.050 343 D HN 0.012 nan 8.370 nan 0.000 0.491 344 E N 2.107 122.328 120.200 0.034 0.000 2.268 344 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 344 E C 1.586 178.209 176.600 0.039 0.000 0.995 344 E CA 0.641 57.064 56.400 0.039 0.000 0.836 344 E CB 0.207 29.923 29.700 0.026 0.000 0.763 344 E HN 0.538 nan 8.360 nan 0.000 0.491 345 A N 0.627 123.466 122.820 0.031 0.000 2.167 345 A HA 0.032 4.352 4.320 -0.000 0.000 0.214 345 A C 0.892 178.497 177.584 0.034 0.000 1.151 345 A CA 0.343 52.397 52.037 0.029 0.000 0.735 345 A CB -0.075 18.938 19.000 0.021 0.000 0.802 345 A HN 0.066 nan 8.150 nan 0.000 0.467 346 L N 1.105 122.353 121.223 0.041 0.000 2.325 346 L HA 0.294 4.634 4.340 -0.000 0.000 0.279 346 L C 0.062 176.973 176.870 0.067 0.000 1.054 346 L CA -0.877 53.986 54.840 0.039 0.000 0.804 346 L CB 1.377 43.449 42.059 0.022 0.000 1.200 346 L HN 0.422 nan 8.230 nan 0.000 0.436 347 E N 1.701 121.937 120.200 0.061 0.000 2.392 347 E HA -0.096 4.254 4.350 -0.000 0.000 0.259 347 E C 0.453 177.135 176.600 0.137 0.000 1.108 347 E CA -0.504 55.956 56.400 0.102 0.000 0.916 347 E CB 0.975 30.720 29.700 0.076 0.000 0.989 347 E HN 0.708 nan 8.360 nan 0.000 0.432 348 W N 2.922 124.229 121.300 0.011 0.000 2.338 348 W HA -0.269 4.391 4.660 0.000 0.000 0.304 348 W C 1.615 178.146 176.519 0.019 0.000 1.212 348 W CA 2.007 59.360 57.345 0.013 0.000 1.264 348 W CB 0.033 29.498 29.460 0.010 0.000 1.142 348 W HN 0.692 nan 8.180 nan 0.000 0.512 349 K N -0.017 120.314 120.400 -0.114 0.000 2.152 349 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 349 K C 1.646 178.118 176.600 -0.213 0.000 1.048 349 K CA 1.849 58.018 56.287 -0.195 0.000 0.933 349 K CB -0.993 31.499 32.500 -0.013 0.000 0.721 349 K HN 0.097 nan 8.250 nan 0.000 0.447 350 V N 1.893 121.715 119.914 -0.153 0.000 2.323 350 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 350 V C 2.283 178.262 176.094 -0.191 0.000 1.041 350 V CA 1.814 64.041 62.300 -0.123 0.000 1.025 350 V CB -0.445 31.336 31.823 -0.071 0.000 0.656 350 V HN 0.353 nan 8.190 nan 0.000 0.451 351 K N -0.176 120.056 120.400 -0.280 0.000 2.032 351 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 351 K C 2.135 178.425 176.600 -0.517 0.000 1.048 351 K CA 1.680 57.751 56.287 -0.360 0.000 0.927 351 K CB -0.480 31.779 32.500 -0.400 0.000 0.712 351 K HN 0.257 nan 8.250 nan 0.000 0.441 352 L N 1.911 122.621 121.223 -0.854 0.000 2.017 352 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 352 L C 2.364 179.043 176.870 -0.318 0.000 1.073 352 L CA 1.817 56.237 54.840 -0.700 0.000 0.745 352 L CB -0.434 41.156 42.059 -0.782 0.000 0.894 352 L HN 0.205 nan 8.230 nan 0.000 0.432 353 E N -0.728 119.324 120.200 -0.246 0.000 2.085 353 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 353 E C 2.175 178.719 176.600 -0.093 0.000 0.994 353 E CA 2.003 58.330 56.400 -0.123 0.000 0.801 353 E CB -0.181 29.497 29.700 -0.038 0.000 0.743 353 E HN 0.481 nan 8.360 nan 0.000 0.453 354 M N 0.733 120.269 119.600 -0.106 0.000 2.117 354 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 354 M C 2.036 178.305 176.300 -0.052 0.000 1.065 354 M CA 1.960 57.223 55.300 -0.063 0.000 1.114 354 M CB -0.522 32.043 32.600 -0.059 0.000 1.361 354 M HN 0.115 nan 8.290 nan 0.000 0.408 355 A N -0.157 122.611 122.820 -0.088 0.000 1.898 355 A HA -0.137 4.182 4.320 -0.000 0.000 0.216 355 A C 2.063 179.632 177.584 -0.024 0.000 1.181 355 A CA 1.889 53.896 52.037 -0.050 0.000 0.620 355 A CB -0.584 18.375 19.000 -0.068 0.000 0.819 355 A HN 0.539 nan 8.150 nan 0.000 0.442 356 M N -0.565 119.010 119.600 -0.042 0.000 2.067 356 M HA -0.177 4.302 4.480 -0.000 0.000 0.260 356 M C 2.239 178.540 176.300 0.002 0.000 1.069 356 M CA 1.574 56.861 55.300 -0.022 0.000 1.117 356 M CB -1.713 30.862 32.600 -0.042 0.000 1.334 356 M HN 0.530 nan 8.290 nan 0.000 0.407 357 Q N -0.493 119.307 119.800 0.000 0.000 2.096 357 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 357 Q C 1.978 178.018 176.000 0.066 0.000 0.993 357 Q CA 2.441 58.260 55.803 0.027 0.000 0.862 357 Q CB -0.191 28.553 28.738 0.011 0.000 0.915 357 Q HN 0.551 nan 8.270 nan 0.000 0.416 358 T N 0.738 115.322 114.554 0.051 0.000 2.674 358 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 358 T C 1.705 176.458 174.700 0.087 0.000 1.039 358 T CA 1.055 63.200 62.100 0.076 0.000 1.150 358 T CB -0.123 68.775 68.868 0.050 0.000 0.864 358 T HN 0.118 nan 8.240 nan 0.000 0.427 359 K N 1.075 121.509 120.400 0.056 0.000 2.032 359 K HA -0.038 4.282 4.320 -0.000 0.000 0.209 359 K C 2.261 178.901 176.600 0.066 0.000 1.048 359 K CA 1.307 57.625 56.287 0.051 0.000 0.927 359 K CB -0.651 31.868 32.500 0.033 0.000 0.712 359 K HN 0.377 nan 8.250 nan 0.000 0.441 360 I N -0.175 120.436 120.570 0.068 0.000 2.113 360 I HA -0.328 3.842 4.170 -0.000 0.000 0.238 360 I C 2.483 178.655 176.117 0.091 0.000 1.070 360 I CA 1.616 62.958 61.300 0.070 0.000 1.332 360 I CB -0.579 37.458 38.000 0.062 0.000 1.044 360 I HN 0.142 nan 8.210 nan 0.000 0.402 361 Y N 1.976 122.282 120.300 0.010 0.000 2.070 361 Y HA -0.367 4.183 4.550 -0.000 0.000 0.280 361 Y C 3.019 178.924 175.900 0.008 0.000 1.148 361 Y CA 2.576 60.681 58.100 0.008 0.000 1.125 361 Y CB -0.801 37.661 38.460 0.003 0.000 0.975 361 Y HN 0.345 nan 8.280 nan 0.000 0.492 362 T N -2.934 111.657 114.554 0.063 0.000 2.788 362 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 362 T C 1.834 176.485 174.700 -0.083 0.000 1.044 362 T CA 2.187 64.262 62.100 -0.042 0.000 1.139 362 T CB -1.372 67.523 68.868 0.045 0.000 0.867 362 T HN 0.582 nan 8.240 nan 0.000 0.454 363 T N -0.316 114.229 114.554 -0.015 0.000 2.812 363 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 363 T C 1.713 176.417 174.700 0.007 0.000 1.042 363 T CA 1.135 63.262 62.100 0.045 0.000 1.140 363 T CB -0.579 68.362 68.868 0.121 0.000 0.870 363 T HN 0.216 nan 8.240 nan 0.000 0.445 364 D N 0.940 121.311 120.400 -0.048 0.000 2.117 364 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 364 D C 2.247 178.475 176.300 -0.120 0.000 0.987 364 D CA 0.665 54.624 54.000 -0.069 0.000 0.829 364 D CB -0.525 40.231 40.800 -0.073 0.000 0.961 364 D HN 0.255 nan 8.370 nan 0.000 0.460 365 V N 0.785 120.550 119.914 -0.249 0.000 2.548 365 V HA -0.131 3.989 4.120 -0.000 0.000 0.249 365 V C 2.311 178.315 176.094 -0.150 0.000 1.055 365 V CA 1.491 63.612 62.300 -0.299 0.000 1.065 365 V CB -0.353 31.039 31.823 -0.719 0.000 0.681 365 V HN 0.167 nan 8.190 nan 0.000 0.462 366 A N -0.377 122.388 122.820 -0.091 0.000 1.940 366 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 366 A C 2.327 179.933 177.584 0.038 0.000 1.176 366 A CA 2.102 54.142 52.037 0.004 0.000 0.631 366 A CB -0.559 18.486 19.000 0.075 0.000 0.814 366 A HN 0.374 nan 8.150 nan 0.000 0.446 367 V N 0.014 119.940 119.914 0.020 0.000 2.261 367 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 367 V C 2.386 178.487 176.094 0.012 0.000 1.047 367 V CA 2.311 64.621 62.300 0.018 0.000 1.015 367 V CB -0.981 30.842 31.823 0.000 0.000 0.642 367 V HN 0.652 nan 8.190 nan 0.000 0.446 368 E N -0.728 119.465 120.200 -0.012 0.000 2.058 368 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 368 E C 2.291 178.897 176.600 0.010 0.000 0.997 368 E CA 1.748 58.142 56.400 -0.010 0.000 0.801 368 E CB -0.479 29.202 29.700 -0.032 0.000 0.746 368 E HN 0.664 nan 8.360 nan 0.000 0.450 369 C N 0.529 119.836 119.300 0.011 0.000 2.413 369 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 369 C C 2.705 177.753 174.990 0.096 0.000 1.236 369 C CA 0.898 59.943 59.018 0.045 0.000 1.735 369 C CB -0.794 26.964 27.740 0.029 0.000 2.031 369 C HN 0.228 nan 8.230 nan 0.000 0.474 370 V N 0.944 120.919 119.914 0.102 0.000 2.358 370 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 370 V C 2.257 178.411 176.094 0.099 0.000 1.047 370 V CA 2.354 64.743 62.300 0.148 0.000 1.035 370 V CB -0.548 31.360 31.823 0.141 0.000 0.658 370 V HN 0.584 nan 8.190 nan 0.000 0.452 371 I N -0.153 120.447 120.570 0.049 0.000 2.353 371 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 371 I C 2.198 178.305 176.117 -0.017 0.000 1.119 371 I CA 1.290 62.596 61.300 0.009 0.000 1.417 371 I CB -0.394 37.609 38.000 0.006 0.000 1.078 371 I HN 0.291 nan 8.210 nan 0.000 0.421 372 D N 1.128 121.532 120.400 0.007 0.000 2.117 372 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 372 D C 2.292 178.592 176.300 -0.000 0.000 0.982 372 D CA 1.458 55.463 54.000 0.008 0.000 0.828 372 D CB -0.134 40.685 40.800 0.032 0.000 0.967 372 D HN 0.298 nan 8.370 nan 0.000 0.464 373 A N 0.738 123.577 122.820 0.032 0.000 1.883 373 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 373 A C 2.283 179.682 177.584 -0.308 0.000 1.186 373 A CA 1.647 53.688 52.037 0.006 0.000 0.624 373 A CB -0.617 18.513 19.000 0.217 0.000 0.822 373 A HN 0.178 nan 8.150 nan 0.000 0.444 374 M N -0.928 118.418 119.600 -0.424 0.000 2.108 374 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 374 M C 2.174 178.275 176.300 -0.331 0.000 1.066 374 M CA 1.955 56.904 55.300 -0.585 0.000 1.107 374 M CB -0.394 32.010 32.600 -0.328 0.000 1.356 374 M HN 0.336 nan 8.290 nan 0.000 0.406 375 K N 0.247 120.539 120.400 -0.179 0.000 2.097 375 K HA -0.080 4.239 4.320 -0.000 0.000 0.206 375 K C 2.106 178.656 176.600 -0.083 0.000 1.049 375 K CA 1.339 57.560 56.287 -0.110 0.000 0.933 375 K CB -0.258 32.203 32.500 -0.064 0.000 0.717 375 K HN 0.302 nan 8.250 nan 0.000 0.442 376 A N 0.896 123.673 122.820 -0.072 0.000 1.877 376 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 376 A C 2.334 179.925 177.584 0.011 0.000 1.186 376 A CA 1.532 53.566 52.037 -0.005 0.000 0.620 376 A CB -0.621 18.397 19.000 0.031 0.000 0.822 376 A HN 0.080 nan 8.150 nan 0.000 0.443 377 V N -1.104 118.733 119.914 -0.128 0.000 2.548 377 V HA 0.228 4.348 4.120 -0.000 0.000 0.249 377 V C 1.814 177.826 176.094 -0.135 0.000 1.055 377 V CA 1.205 63.383 62.300 -0.204 0.000 1.065 377 V CB -1.591 29.866 31.823 -0.609 0.000 0.681 377 V HN 1.222 nan 8.190 nan 0.000 0.462 378 G N -0.535 108.174 108.800 -0.151 0.000 2.512 378 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.240 378 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.240 378 G C 0.445 175.276 174.900 -0.115 0.000 1.246 378 G CA 0.367 45.409 45.100 -0.096 0.000 0.919 378 G HN 0.171 nan 8.290 nan 0.000 0.577 379 M N 0.533 120.096 119.600 -0.063 0.000 2.108 379 M HA 0.046 4.526 4.480 -0.000 0.000 0.261 379 M C 2.403 178.698 176.300 -0.009 0.000 1.066 379 M CA 2.901 58.178 55.300 -0.038 0.000 1.107 379 M CB -0.581 32.008 32.600 -0.018 0.000 1.356 379 M HN 0.570 nan 8.290 nan 0.000 0.406 380 K N -0.563 119.807 120.400 -0.049 0.000 2.218 380 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 380 K C 1.839 178.406 176.600 -0.054 0.000 1.046 380 K CA 1.618 57.870 56.287 -0.059 0.000 0.933 380 K CB -0.419 32.002 32.500 -0.132 0.000 0.728 380 K HN 0.599 nan 8.250 nan 0.000 0.454 381 S N -0.329 115.295 115.700 -0.127 0.000 2.507 381 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 381 S C 1.600 176.263 174.600 0.105 0.000 0.988 381 S CA 0.544 58.693 58.200 -0.085 0.000 0.944 381 S CB -0.261 62.588 63.200 -0.585 0.000 0.762 381 S HN 0.356 nan 8.310 nan 0.000 0.526 382 Y N 2.308 122.580 120.300 -0.047 0.000 2.466 382 Y HA 0.588 5.138 4.550 -0.000 0.000 0.272 382 Y C 0.855 176.757 175.900 0.003 0.000 1.169 382 Y CA -0.631 57.458 58.100 -0.019 0.000 1.285 382 Y CB -0.285 38.153 38.460 -0.036 0.000 1.078 382 Y HN 0.453 nan 8.280 nan 0.000 0.523 383 A N -0.013 122.819 122.820 0.020 0.000 2.337 383 A HA 0.431 4.751 4.320 -0.000 0.000 0.331 383 A C 0.604 178.169 177.584 -0.032 0.000 1.137 383 A CA -0.752 51.266 52.037 -0.032 0.000 0.807 383 A CB 1.069 20.076 19.000 0.012 0.000 1.250 383 A HN 0.325 nan 8.150 nan 0.000 0.468 384 K N 0.617 120.984 120.400 -0.054 0.000 2.487 384 K HA -0.024 4.296 4.320 -0.000 0.000 0.192 384 K C 0.214 176.788 176.600 -0.043 0.000 1.027 384 K CA 0.735 56.990 56.287 -0.054 0.000 1.054 384 K CB 0.204 32.665 32.500 -0.065 0.000 0.824 384 K HN 0.796 nan 8.250 nan 0.000 0.510 385 D N 0.347 120.730 120.400 -0.028 0.000 2.363 385 D HA -0.104 4.536 4.640 -0.000 0.000 0.220 385 D C 0.682 176.965 176.300 -0.028 0.000 0.994 385 D CA 0.618 54.602 54.000 -0.025 0.000 0.890 385 D CB 0.146 40.940 40.800 -0.010 0.000 0.906 385 D HN 0.134 nan 8.370 nan 0.000 0.530 386 M N -0.324 119.264 119.600 -0.020 0.000 2.706 386 M HA 0.240 4.720 4.480 -0.000 0.000 0.304 386 M C 1.040 177.270 176.300 -0.115 0.000 1.217 386 M CA -0.766 54.508 55.300 -0.044 0.000 0.922 386 M CB 2.061 34.712 32.600 0.084 0.000 1.637 386 M HN -0.315 nan 8.290 nan 0.000 0.492 387 S N 0.184 115.705 115.700 -0.299 0.000 2.453 387 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 387 S C 1.399 175.832 174.600 -0.277 0.000 1.005 387 S CA 1.139 59.142 58.200 -0.329 0.000 0.949 387 S CB -0.249 62.692 63.200 -0.431 0.000 0.774 387 S HN 0.488 nan 8.310 nan 0.000 0.510 388 F N 1.830 121.748 119.950 -0.054 0.000 2.126 388 F HA -0.029 4.497 4.527 -0.000 0.000 0.299 388 F C -0.514 175.253 175.800 -0.055 0.000 1.096 388 F CA 0.731 58.705 58.000 -0.044 0.000 1.255 388 F CB -2.176 36.800 39.000 -0.040 0.000 0.997 388 F HN 0.201 nan 8.300 nan 0.000 0.479 389 P HA -0.203 nan 4.420 nan 0.000 0.215 389 P C 1.588 178.864 177.300 -0.040 0.000 1.157 389 P CA 1.744 64.831 63.100 -0.022 0.000 0.868 389 P CB -0.144 31.497 31.700 -0.099 0.000 0.788 390 R N 0.095 120.563 120.500 -0.053 0.000 2.083 390 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 390 R C 2.221 178.472 176.300 -0.082 0.000 1.137 390 R CA 1.512 57.568 56.100 -0.074 0.000 0.951 390 R CB -0.991 29.265 30.300 -0.072 0.000 0.851 390 R HN 0.135 nan 8.270 nan 0.000 0.434 391 L N 0.780 121.973 121.223 -0.049 0.000 2.083 391 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 391 L C 2.564 179.431 176.870 -0.005 0.000 1.083 391 L CA 0.686 55.516 54.840 -0.018 0.000 0.752 391 L CB -0.592 41.478 42.059 0.019 0.000 0.899 391 L HN 0.289 nan 8.230 nan 0.000 0.433 392 L N 0.222 121.459 121.223 0.023 0.000 2.012 392 L HA -0.224 4.115 4.340 -0.000 0.000 0.210 392 L C 2.310 179.150 176.870 -0.049 0.000 1.073 392 L CA 1.890 56.738 54.840 0.014 0.000 0.748 392 L CB -0.711 41.370 42.059 0.037 0.000 0.891 392 L HN 0.266 nan 8.230 nan 0.000 0.431 393 N N -0.482 118.171 118.700 -0.079 0.000 2.171 393 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 393 N C 1.720 177.110 175.510 -0.201 0.000 1.021 393 N CA 1.574 54.556 53.050 -0.114 0.000 0.854 393 N CB -0.107 38.319 38.487 -0.103 0.000 0.994 393 N HN 0.542 nan 8.380 nan 0.000 0.426 394 E N 0.718 120.750 120.200 -0.280 0.000 2.077 394 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 394 E C 1.949 178.258 176.600 -0.485 0.000 0.989 394 E CA 0.627 56.726 56.400 -0.502 0.000 0.800 394 E CB -0.023 29.364 29.700 -0.522 0.000 0.746 394 E HN 0.014 nan 8.360 nan 0.000 0.452 395 V N 0.859 120.597 119.914 -0.293 0.000 2.626 395 V HA -0.193 3.926 4.120 -0.000 0.000 0.252 395 V C 1.880 177.793 176.094 -0.302 0.000 1.067 395 V CA 1.177 63.324 62.300 -0.256 0.000 1.081 395 V CB -0.115 31.721 31.823 0.023 0.000 0.686 395 V HN 0.327 nan 8.190 nan 0.000 0.468 396 M N -1.462 117.997 119.600 -0.235 0.000 2.557 396 M HA -0.078 4.402 4.480 -0.000 0.000 0.259 396 M C 2.191 178.352 176.300 -0.233 0.000 1.086 396 M CA 1.141 56.339 55.300 -0.170 0.000 1.096 396 M CB -2.015 30.521 32.600 -0.108 0.000 1.424 396 M HN 0.623 nan 8.290 nan 0.000 0.488 397 C N 0.156 119.210 119.300 -0.409 0.000 2.429 397 C HA -0.203 4.257 4.460 -0.000 0.000 0.277 397 C C 2.563 177.261 174.990 -0.486 0.000 1.262 397 C CA 0.844 59.562 59.018 -0.499 0.000 1.733 397 C CB -0.951 26.383 27.740 -0.678 0.000 2.010 397 C HN 0.510 nan 8.230 nan 0.000 0.483 398 Y N 2.118 122.234 120.300 -0.305 0.000 2.200 398 Y HA 0.044 4.593 4.550 -0.000 0.000 0.290 398 Y C 0.083 176.036 175.900 0.089 0.000 1.137 398 Y CA 1.073 59.069 58.100 -0.174 0.000 1.163 398 Y CB -2.353 36.049 38.460 -0.096 0.000 0.988 398 Y HN 0.396 nan 8.280 nan 0.000 0.518 399 P HA -0.063 nan 4.420 nan 0.000 0.230 399 P C 1.088 178.436 177.300 0.079 0.000 1.158 399 P CA 1.418 64.580 63.100 0.102 0.000 0.769 399 P CB 0.010 31.735 31.700 0.040 0.000 0.807 400 L N -1.965 119.299 121.223 0.068 0.000 2.425 400 L HA 0.202 4.542 4.340 -0.000 0.000 0.215 400 L C 1.769 178.669 176.870 0.049 0.000 1.065 400 L CA 0.001 54.844 54.840 0.005 0.000 0.842 400 L CB -0.477 41.536 42.059 -0.076 0.000 1.033 400 L HN -0.042 nan 8.230 nan 0.000 0.474 401 F N -0.128 119.746 119.950 -0.126 0.000 2.291 401 F HA 0.295 4.822 4.527 -0.000 0.000 0.305 401 F C 0.725 176.486 175.800 -0.064 0.000 1.171 401 F CA -0.783 57.135 58.000 -0.136 0.000 1.090 401 F CB 0.345 39.274 39.000 -0.119 0.000 1.436 401 F HN -0.049 nan 8.300 nan 0.000 0.509 402 D N 0.895 120.932 120.400 -0.605 0.000 2.701 402 D HA -0.100 4.540 4.640 -0.000 0.000 0.235 402 D C 0.002 176.167 176.300 -0.226 0.000 1.155 402 D CA 1.666 55.371 54.000 -0.492 0.000 0.649 402 D CB -1.419 38.930 40.800 -0.752 0.000 1.050 402 D HN 1.461 nan 8.370 nan 0.000 0.425 403 G N -1.023 107.633 108.800 -0.240 0.000 3.316 403 G HA2 0.273 4.233 3.960 -0.000 0.000 0.445 403 G HA3 0.273 4.233 3.960 -0.000 0.000 0.445 403 G C 0.588 175.425 174.900 -0.104 0.000 1.002 403 G CA 0.085 45.055 45.100 -0.217 0.000 0.818 403 G HN 0.947 nan 8.290 nan 0.000 0.404 404 G N 1.472 110.220 108.800 -0.087 0.000 2.554 404 G HA2 0.370 4.330 3.960 -0.000 0.000 0.238 404 G HA3 0.370 4.330 3.960 -0.000 0.000 0.238 404 G C 1.007 175.892 174.900 -0.025 0.000 1.259 404 G CA 0.242 45.319 45.100 -0.039 0.000 0.843 404 G HN 0.683 nan 8.290 nan 0.000 0.582 405 N N 0.634 119.333 118.700 -0.002 0.000 2.244 405 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 405 N C 2.075 177.581 175.510 -0.007 0.000 1.016 405 N CA 0.571 53.622 53.050 0.001 0.000 0.866 405 N CB -0.019 38.477 38.487 0.014 0.000 0.980 405 N HN 0.398 nan 8.380 nan 0.000 0.430 406 I N 0.044 120.608 120.570 -0.011 0.000 2.277 406 I HA -0.009 4.161 4.170 -0.000 0.000 0.243 406 I C 2.265 178.374 176.117 -0.013 0.000 1.094 406 I CA 1.134 62.428 61.300 -0.011 0.000 1.393 406 I CB -1.491 36.502 38.000 -0.012 0.000 1.078 406 I HN 0.100 nan 8.210 nan 0.000 0.417 407 G N -0.146 108.644 108.800 -0.017 0.000 2.459 407 G HA2 0.067 4.027 3.960 -0.000 0.000 0.213 407 G HA3 0.067 4.027 3.960 -0.000 0.000 0.213 407 G C 1.731 176.626 174.900 -0.007 0.000 1.155 407 G CA 0.152 45.245 45.100 -0.011 0.000 0.811 407 G HN 0.222 nan 8.290 nan 0.000 0.534 408 L N -0.925 120.286 121.223 -0.020 0.000 2.546 408 L HA 0.276 4.616 4.340 -0.000 0.000 0.182 408 L C 2.908 179.766 176.870 -0.020 0.000 1.167 408 L CA -0.168 54.661 54.840 -0.019 0.000 0.845 408 L CB -0.051 41.972 42.059 -0.061 0.000 1.134 408 L HN -0.123 nan 8.230 nan 0.000 0.500 409 R N 0.516 121.001 120.500 -0.027 0.000 2.092 409 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 409 R C 2.159 178.447 176.300 -0.020 0.000 1.119 409 R CA 1.150 57.238 56.100 -0.020 0.000 0.970 409 R CB -0.770 29.523 30.300 -0.012 0.000 0.864 409 R HN 0.300 nan 8.270 nan 0.000 0.440 410 R N 0.478 120.967 120.500 -0.018 0.000 2.092 410 R HA -0.000 4.340 4.340 -0.000 0.000 0.231 410 R C 2.154 178.433 176.300 -0.035 0.000 1.119 410 R CA 1.069 57.155 56.100 -0.023 0.000 0.970 410 R CB -0.027 30.263 30.300 -0.017 0.000 0.864 410 R HN 0.130 nan 8.270 nan 0.000 0.440 411 R N 0.552 121.035 120.500 -0.028 0.000 2.119 411 R HA -0.046 4.294 4.340 -0.000 0.000 0.222 411 R C 1.991 178.269 176.300 -0.035 0.000 1.088 411 R CA 0.969 57.050 56.100 -0.031 0.000 0.984 411 R CB -0.421 29.869 30.300 -0.018 0.000 0.884 411 R HN 0.410 nan 8.270 nan 0.000 0.447 412 Q N 0.562 120.348 119.800 -0.024 0.000 2.084 412 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 412 Q C 2.157 178.124 176.000 -0.056 0.000 0.978 412 Q CA 1.590 57.380 55.803 -0.023 0.000 0.844 412 Q CB -0.099 28.639 28.738 -0.001 0.000 0.898 412 Q HN 0.262 nan 8.270 nan 0.000 0.426 413 M N 0.350 119.910 119.600 -0.066 0.000 2.099 413 M HA -0.249 4.231 4.480 -0.000 0.000 0.262 413 M C 2.323 178.534 176.300 -0.149 0.000 1.067 413 M CA 1.615 56.855 55.300 -0.100 0.000 1.124 413 M CB -0.073 32.479 32.600 -0.079 0.000 1.353 413 M HN 0.147 nan 8.290 nan 0.000 0.410 414 Q N 0.331 120.057 119.800 -0.123 0.000 2.077 414 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 414 Q C 2.104 178.007 176.000 -0.161 0.000 0.989 414 Q CA 3.069 58.787 55.803 -0.141 0.000 0.853 414 Q CB -0.226 28.457 28.738 -0.092 0.000 0.907 414 Q HN 0.633 nan 8.270 nan 0.000 0.418 415 R N -0.040 120.389 120.500 -0.118 0.000 2.091 415 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 415 R C 2.286 178.506 176.300 -0.133 0.000 1.136 415 R CA 1.772 57.810 56.100 -0.103 0.000 0.959 415 R CB -1.700 28.561 30.300 -0.064 0.000 0.856 415 R HN 0.274 nan 8.270 nan 0.000 0.437 416 V N 1.081 120.900 119.914 -0.158 0.000 2.332 416 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 416 V C 2.689 178.547 176.094 -0.392 0.000 1.055 416 V CA 2.408 64.599 62.300 -0.182 0.000 1.038 416 V CB -0.476 31.259 31.823 -0.147 0.000 0.651 416 V HN 0.596 nan 8.190 nan 0.000 0.450 417 M N -0.314 118.901 119.600 -0.642 0.000 2.319 417 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 417 M C 2.145 178.092 176.300 -0.589 0.000 1.068 417 M CA 1.617 56.197 55.300 -1.201 0.000 1.118 417 M CB -0.396 31.671 32.600 -0.889 0.000 1.395 417 M HN 0.368 nan 8.290 nan 0.000 0.435 418 A N 0.384 123.019 122.820 -0.309 0.000 2.072 418 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 418 A C 1.056 178.588 177.584 -0.087 0.000 1.156 418 A CA 0.077 52.020 52.037 -0.156 0.000 0.701 418 A CB -0.447 18.483 19.000 -0.116 0.000 0.816 418 A HN 0.332 nan 8.150 nan 0.000 0.458 419 L N 0.491 121.667 121.223 -0.080 0.000 2.514 419 L HA -0.013 4.327 4.340 -0.000 0.000 0.280 419 L C 1.404 178.293 176.870 0.033 0.000 1.223 419 L CA -0.237 54.597 54.840 -0.011 0.000 0.864 419 L CB 0.294 42.358 42.059 0.009 0.000 1.118 419 L HN 0.423 nan 8.230 nan 0.000 0.494 420 E N 1.352 121.569 120.200 0.028 0.000 2.153 420 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 420 E C 0.834 177.464 176.600 0.050 0.000 0.988 420 E CA 1.447 57.868 56.400 0.034 0.000 0.811 420 E CB 0.064 29.776 29.700 0.019 0.000 0.746 420 E HN 0.744 nan 8.360 nan 0.000 0.466 421 D N -0.366 120.066 120.400 0.054 0.000 2.339 421 D HA -0.127 4.513 4.640 -0.000 0.000 0.217 421 D C 0.330 176.667 176.300 0.062 0.000 1.050 421 D CA -0.393 53.634 54.000 0.045 0.000 0.856 421 D CB -0.903 39.916 40.800 0.032 0.000 0.922 421 D HN 0.169 nan 8.370 nan 0.000 0.518 422 Y N 2.109 122.379 120.300 -0.050 0.000 2.916 422 Y HA -0.115 4.435 4.550 -0.000 0.000 0.344 422 Y C -0.046 175.800 175.900 -0.090 0.000 1.282 422 Y CA 0.503 58.556 58.100 -0.078 0.000 1.604 422 Y CB 0.272 38.676 38.460 -0.093 0.000 1.207 422 Y HN -0.100 nan 8.280 nan 0.000 0.561 423 E N 9.373 129.245 120.200 -0.547 0.000 2.183 423 E HA 0.124 4.474 4.350 -0.000 0.000 0.250 423 E C -1.729 174.332 176.600 -0.898 0.000 0.901 423 E CA -1.998 54.062 56.400 -0.568 0.000 0.741 423 E CB 1.162 30.721 29.700 -0.236 0.000 1.182 423 E HN 0.588 nan 8.360 nan 0.000 0.425 424 P HA -0.175 nan 4.420 nan 0.000 0.216 424 P C 0.236 176.974 177.300 -0.937 0.000 1.153 424 P CA 1.397 63.668 63.100 -1.382 0.000 0.858 424 P CB 0.081 30.848 31.700 -1.554 0.000 0.789 425 W N -1.260 119.945 121.300 -0.158 0.000 3.067 425 W HA 0.578 5.238 4.660 0.000 0.000 0.417 425 W C 1.930 178.419 176.519 -0.050 0.000 1.029 425 W CA -0.270 57.042 57.345 -0.055 0.000 1.992 425 W CB -0.455 29.064 29.460 0.099 0.000 1.122 425 W HN -0.091 nan 8.180 nan 0.000 0.681 426 A N 1.099 123.939 122.820 0.034 0.000 1.940 426 A HA -0.087 4.232 4.320 -0.000 0.000 0.219 426 A C 2.189 179.790 177.584 0.028 0.000 1.176 426 A CA 2.094 54.147 52.037 0.026 0.000 0.631 426 A CB -0.719 18.257 19.000 -0.040 0.000 0.814 426 A HN 0.277 nan 8.150 nan 0.000 0.446 427 A N -1.542 121.284 122.820 0.011 0.000 2.121 427 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 427 A C 2.108 179.674 177.584 -0.030 0.000 1.154 427 A CA 2.020 54.053 52.037 -0.006 0.000 0.679 427 A CB -0.549 18.444 19.000 -0.012 0.000 0.795 427 A HN 0.438 nan 8.150 nan 0.000 0.458 428 T N -2.622 111.902 114.554 -0.050 0.000 3.044 428 T HA 0.116 4.466 4.350 -0.000 0.000 0.237 428 T C 1.077 175.607 174.700 -0.284 0.000 1.001 428 T CA 0.802 62.750 62.100 -0.252 0.000 1.160 428 T CB -0.169 68.408 68.868 -0.485 0.000 0.889 428 T HN 0.519 nan 8.240 nan 0.000 0.442 429 Y N 1.257 121.593 120.300 0.059 0.000 2.555 429 Y HA 0.456 5.006 4.550 -0.000 0.000 0.259 429 Y C 1.356 177.272 175.900 0.027 0.000 1.179 429 Y CA -0.343 57.776 58.100 0.031 0.000 1.230 429 Y CB 0.519 38.999 38.460 0.033 0.000 1.146 429 Y HN 0.408 nan 8.280 nan 0.000 0.526 430 G N 0.869 109.748 108.800 0.132 0.000 2.787 430 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.685 430 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.685 430 G C -0.222 174.726 174.900 0.079 0.000 1.437 430 G CA -0.188 44.962 45.100 0.083 0.000 0.872 430 G HN 0.290 nan 8.290 nan 0.000 0.566 431 S N 0.000 115.727 115.700 0.046 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.218 58.200 0.030 0.000 1.107 431 S CB 0.000 63.210 63.200 0.017 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517