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_B 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 S 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 0.000 176.026 176.094 -0.114 0.000 1.182 2 V CA 0.000 62.234 62.300 -0.110 0.000 1.235 2 V CB 0.000 31.776 31.823 -0.079 0.000 1.184 3 D N 4.381 124.624 120.400 -0.261 0.000 2.886 3 D HA 0.545 5.186 4.640 0.001 0.000 0.216 3 D C -0.656 175.466 176.300 -0.297 0.000 1.256 3 D CA -0.265 53.650 54.000 -0.143 0.000 0.844 3 D CB 1.637 42.400 40.800 -0.062 0.000 1.669 3 D HN 0.367 nan 8.370 nan 0.000 0.513 4 F N 1.239 121.239 119.950 0.083 0.000 2.661 4 F HA 0.362 4.889 4.527 0.001 0.000 0.306 4 F C 1.026 176.914 175.800 0.147 0.000 1.094 4 F CA -0.484 57.605 58.000 0.149 0.000 1.254 4 F CB 0.440 39.528 39.000 0.147 0.000 1.040 4 F HN -0.011 nan 8.300 nan 0.000 0.562 5 K N 1.712 122.231 120.400 0.198 0.000 2.326 5 K HA 0.365 4.686 4.320 0.001 0.000 0.275 5 K C -0.300 176.340 176.600 0.067 0.000 1.018 5 K CA -0.131 56.236 56.287 0.133 0.000 0.962 5 K CB 0.837 33.389 32.500 0.087 0.000 0.953 5 K HN 0.097 nan 8.250 nan 0.000 0.475 6 L N 2.386 123.643 121.223 0.057 0.000 2.334 6 L HA 0.207 4.548 4.340 0.001 0.000 0.277 6 L C 0.635 177.491 176.870 -0.024 0.000 1.075 6 L CA -0.527 54.299 54.840 -0.023 0.000 0.804 6 L CB 1.549 43.606 42.059 -0.003 0.000 1.174 6 L HN 0.741 nan 8.230 nan 0.000 0.438 7 S N 1.869 117.533 115.700 -0.061 0.000 2.645 7 S HA 0.352 4.823 4.470 0.001 0.000 0.266 7 S C -1.942 172.650 174.600 -0.013 0.000 1.258 7 S CA -1.179 57.006 58.200 -0.026 0.000 0.990 7 S CB 1.177 64.366 63.200 -0.018 0.000 0.967 7 S HN 0.397 nan 8.310 nan 0.000 0.556 8 P HA -0.148 nan 4.420 nan 0.000 0.216 8 P C 1.792 179.111 177.300 0.030 0.000 1.150 8 P CA 1.849 64.962 63.100 0.021 0.000 0.843 8 P CB -0.208 31.507 31.700 0.025 0.000 0.787 9 S N -1.359 114.371 115.700 0.050 0.000 2.428 9 S HA -0.173 4.298 4.470 0.001 0.000 0.230 9 S C 2.003 176.654 174.600 0.084 0.000 1.014 9 S CA 0.895 59.160 58.200 0.108 0.000 0.957 9 S CB -0.973 62.340 63.200 0.188 0.000 0.784 9 S HN 0.184 nan 8.310 nan 0.000 0.499 10 Q N 0.589 120.330 119.800 -0.099 0.000 2.096 10 Q HA 0.229 4.569 4.340 0.001 0.000 0.197 10 Q C 2.181 178.121 176.000 -0.100 0.000 0.964 10 Q CA 1.222 56.837 55.803 -0.313 0.000 0.838 10 Q CB -0.321 28.136 28.738 -0.468 0.000 0.906 10 Q HN 0.529 nan 8.270 nan 0.000 0.444 11 L N 0.479 121.683 121.223 -0.032 0.000 2.201 11 L HA -0.170 4.171 4.340 0.001 0.000 0.212 11 L C 2.340 179.242 176.870 0.054 0.000 1.105 11 L CA 0.860 55.714 54.840 0.024 0.000 0.775 11 L CB -0.178 41.900 42.059 0.032 0.000 0.913 11 L HN 0.206 nan 8.230 nan 0.000 0.440 12 E N 0.803 121.038 120.200 0.058 0.000 2.072 12 E HA -0.154 4.196 4.350 0.001 0.000 0.190 12 E C 2.147 178.822 176.600 0.125 0.000 0.982 12 E CA 1.412 57.864 56.400 0.086 0.000 0.803 12 E CB -0.096 29.645 29.700 0.068 0.000 0.755 12 E HN 0.310 nan 8.360 nan 0.000 0.453 13 A N 1.029 123.919 122.820 0.116 0.000 1.933 13 A HA -0.189 4.132 4.320 0.001 0.000 0.218 13 A C 2.320 180.004 177.584 0.168 0.000 1.175 13 A CA 1.813 53.942 52.037 0.153 0.000 0.628 13 A CB -0.631 18.470 19.000 0.168 0.000 0.814 13 A HN 0.292 nan 8.150 nan 0.000 0.444 14 R N -0.551 120.019 120.500 0.117 0.000 2.062 14 R HA -0.119 4.222 4.340 0.001 0.000 0.231 14 R C 2.479 178.856 176.300 0.128 0.000 1.136 14 R CA 1.544 57.716 56.100 0.119 0.000 0.948 14 R CB -0.362 29.997 30.300 0.098 0.000 0.845 14 R HN 0.505 nan 8.270 nan 0.000 0.430 15 R N -0.568 120.006 120.500 0.124 0.000 2.083 15 R HA -0.239 4.101 4.340 0.001 0.000 0.237 15 R C 2.295 178.681 176.300 0.144 0.000 1.137 15 R CA 2.293 58.464 56.100 0.119 0.000 0.951 15 R CB -0.582 29.784 30.300 0.109 0.000 0.851 15 R HN 0.448 nan 8.270 nan 0.000 0.434 16 H N 0.020 119.145 119.070 0.093 0.000 2.290 16 H HA -0.087 4.470 4.556 0.001 0.000 0.298 16 H C 1.804 177.209 175.328 0.128 0.000 1.087 16 H CA 2.534 58.650 56.048 0.113 0.000 1.291 16 H CB -0.285 29.537 29.762 0.100 0.000 1.369 16 H HN 0.377 nan 8.280 nan 0.000 0.492 17 A N 0.428 123.336 122.820 0.146 0.000 1.902 17 A HA -0.231 4.090 4.320 0.001 0.000 0.217 17 A C 2.335 179.974 177.584 0.091 0.000 1.181 17 A CA 1.824 53.927 52.037 0.110 0.000 0.623 17 A CB -0.624 18.472 19.000 0.161 0.000 0.818 17 A HN 0.680 nan 8.150 nan 0.000 0.443 18 Q N -0.772 119.077 119.800 0.083 0.000 2.050 18 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 18 Q C 2.514 178.529 176.000 0.024 0.000 0.980 18 Q CA 1.426 57.264 55.803 0.059 0.000 0.840 18 Q CB -0.411 28.365 28.738 0.063 0.000 0.898 18 Q HN 0.682 nan 8.270 nan 0.000 0.424 19 A N 0.689 123.518 122.820 0.016 0.000 1.908 19 A HA -0.228 4.092 4.320 0.001 0.000 0.218 19 A C 1.881 179.437 177.584 -0.047 0.000 1.181 19 A CA 1.463 53.498 52.037 -0.004 0.000 0.627 19 A CB -0.883 18.130 19.000 0.021 0.000 0.818 19 A HN 0.464 nan 8.150 nan 0.000 0.445 20 F N 0.861 120.655 119.950 -0.259 0.000 2.102 20 F HA -0.046 4.482 4.527 0.002 0.000 0.298 20 F C 2.525 178.208 175.800 -0.196 0.000 1.105 20 F CA 1.329 59.114 58.000 -0.358 0.000 1.239 20 F CB -0.480 38.214 39.000 -0.510 0.000 0.991 20 F HN 0.243 nan 8.300 nan 0.000 0.474 21 A N 0.230 122.988 122.820 -0.103 0.000 1.902 21 A HA -0.215 4.106 4.320 0.001 0.000 0.217 21 A C 1.992 179.462 177.584 -0.190 0.000 1.181 21 A CA 2.056 53.997 52.037 -0.159 0.000 0.623 21 A CB -1.181 17.812 19.000 -0.011 0.000 0.818 21 A HN 0.625 nan 8.150 nan 0.000 0.443 22 N N -0.775 117.849 118.700 -0.126 0.000 2.171 22 N HA -0.119 4.621 4.740 0.001 0.000 0.184 22 N C 1.854 177.290 175.510 -0.124 0.000 1.021 22 N CA 1.823 54.812 53.050 -0.100 0.000 0.854 22 N CB -0.150 38.306 38.487 -0.051 0.000 0.994 22 N HN 0.684 nan 8.380 nan 0.000 0.426 23 T N -2.462 112.002 114.554 -0.150 0.000 3.009 23 T HA 0.134 4.485 4.350 0.001 0.000 0.258 23 T C 1.806 176.403 174.700 -0.171 0.000 1.063 23 T CA 0.340 62.366 62.100 -0.122 0.000 1.139 23 T CB -0.126 68.703 68.868 -0.066 0.000 0.890 23 T HN -0.108 nan 8.240 nan 0.000 0.471 24 V N 1.023 120.719 119.914 -0.363 0.000 2.602 24 V HA 0.273 4.394 4.120 0.001 0.000 0.235 24 V C 2.626 178.545 176.094 -0.291 0.000 1.087 24 V CA 0.415 62.490 62.300 -0.374 0.000 1.117 24 V CB -0.569 30.776 31.823 -0.797 0.000 0.820 24 V HN 0.315 nan 8.190 nan 0.000 0.490 25 L N 1.233 122.163 121.223 -0.488 0.000 2.127 25 L HA -0.180 4.161 4.340 0.001 0.000 0.211 25 L C 2.774 179.480 176.870 -0.273 0.000 1.089 25 L CA 2.112 56.749 54.840 -0.340 0.000 0.757 25 L CB -1.296 40.603 42.059 -0.266 0.000 0.899 25 L HN 0.629 nan 8.230 nan 0.000 0.434 26 T N -2.691 111.736 114.554 -0.211 0.000 2.849 26 T HA -0.217 4.134 4.350 0.001 0.000 0.270 26 T C 1.669 176.263 174.700 -0.176 0.000 1.066 26 T CA 1.097 63.099 62.100 -0.164 0.000 1.130 26 T CB -0.245 68.551 68.868 -0.119 0.000 0.864 26 T HN 0.370 nan 8.240 nan 0.000 0.481 27 K N 1.023 121.326 120.400 -0.162 0.000 2.365 27 K HA 0.380 4.701 4.320 0.001 0.000 0.197 27 K C 2.689 179.127 176.600 -0.270 0.000 1.042 27 K CA 0.576 56.807 56.287 -0.093 0.000 0.987 27 K CB -0.191 32.375 32.500 0.111 0.000 0.779 27 K HN 0.444 nan 8.250 nan 0.000 0.484 28 A N 1.299 123.694 122.820 -0.707 0.000 1.902 28 A HA -0.191 4.130 4.320 0.001 0.000 0.217 28 A C 2.252 179.387 177.584 -0.749 0.000 1.181 28 A CA 1.958 53.260 52.037 -1.226 0.000 0.623 28 A CB -0.624 17.700 19.000 -1.126 0.000 0.818 28 A HN 0.252 nan 8.150 nan 0.000 0.443 29 S N -0.296 114.951 115.700 -0.754 0.000 2.383 29 S HA -0.084 4.387 4.470 0.001 0.000 0.229 29 S C 2.098 176.235 174.600 -0.772 0.000 1.030 29 S CA 1.533 59.017 58.200 -1.194 0.000 1.002 29 S CB -0.465 62.378 63.200 -0.594 0.000 0.829 29 S HN 0.849 nan 8.310 nan 0.000 0.467 30 A N 0.934 123.512 122.820 -0.405 0.000 2.019 30 A HA -0.065 4.255 4.320 0.001 0.000 0.219 30 A C 2.086 179.577 177.584 -0.156 0.000 1.164 30 A CA 1.488 53.393 52.037 -0.219 0.000 0.644 30 A CB -0.358 18.571 19.000 -0.117 0.000 0.805 30 A HN 0.551 nan 8.150 nan 0.000 0.449 31 E N -0.738 119.376 120.200 -0.143 0.000 2.057 31 E HA -0.077 4.274 4.350 0.001 0.000 0.190 31 E C 1.950 178.564 176.600 0.023 0.000 0.969 31 E CA 1.555 57.961 56.400 0.010 0.000 0.812 31 E CB -0.842 28.986 29.700 0.212 0.000 0.777 31 E HN 0.936 nan 8.360 nan 0.000 0.455 32 Y N 0.020 120.340 120.300 0.033 0.000 2.373 32 Y HA 0.137 4.687 4.550 0.001 0.000 0.293 32 Y C 2.428 178.340 175.900 0.021 0.000 1.129 32 Y CA 0.949 59.071 58.100 0.037 0.000 1.226 32 Y CB -0.447 38.035 38.460 0.038 0.000 1.000 32 Y HN -0.159 nan 8.280 nan 0.000 0.549 33 S N 0.644 116.294 115.700 -0.083 0.000 2.387 33 S HA -0.209 4.261 4.470 0.001 0.000 0.230 33 S C 2.033 176.650 174.600 0.029 0.000 1.035 33 S CA 2.079 60.266 58.200 -0.022 0.000 1.014 33 S CB -0.793 62.304 63.200 -0.172 0.000 0.836 33 S HN 0.818 nan 8.310 nan 0.000 0.466 34 T N -1.133 113.431 114.554 0.016 0.000 3.088 34 T HA 0.150 4.501 4.350 0.001 0.000 0.259 34 T C 0.673 175.401 174.700 0.048 0.000 1.122 34 T CA 0.036 62.150 62.100 0.023 0.000 1.095 34 T CB -0.058 68.815 68.868 0.008 0.000 0.930 34 T HN 0.105 nan 8.240 nan 0.000 0.508 35 Q N 1.110 120.960 119.800 0.082 0.000 2.306 35 Q HA 0.356 4.697 4.340 0.001 0.000 0.241 35 Q C 1.015 177.061 176.000 0.077 0.000 0.948 35 Q CA -0.390 55.465 55.803 0.087 0.000 0.886 35 Q CB 1.302 30.113 28.738 0.120 0.000 1.227 35 Q HN 0.106 nan 8.270 nan 0.000 0.457 36 K N 0.852 121.290 120.400 0.063 0.000 2.103 36 K HA -0.051 4.269 4.320 0.001 0.000 0.204 36 K C 0.270 176.904 176.600 0.057 0.000 1.052 36 K CA 1.116 57.434 56.287 0.052 0.000 0.945 36 K CB 0.199 32.725 32.500 0.042 0.000 0.722 36 K HN 0.760 nan 8.250 nan 0.000 0.443 37 D N -2.805 117.635 120.400 0.068 0.000 2.664 37 D HA 0.044 4.685 4.640 0.001 0.000 0.292 37 D C 0.816 177.166 176.300 0.085 0.000 1.214 37 D CA -0.632 53.408 54.000 0.068 0.000 0.932 37 D CB 0.423 41.260 40.800 0.061 0.000 1.420 37 D HN -0.277 nan 8.370 nan 0.000 0.471 38 Q N -0.677 119.170 119.800 0.079 0.000 2.045 38 Q HA -0.139 4.202 4.340 0.001 0.000 0.206 38 Q C 1.821 177.903 176.000 0.135 0.000 0.991 38 Q CA 2.018 57.874 55.803 0.088 0.000 0.851 38 Q CB -0.519 28.258 28.738 0.066 0.000 0.911 38 Q HN 0.524 nan 8.270 nan 0.000 0.418 39 L N -0.328 120.976 121.223 0.134 0.000 1.994 39 L HA -0.132 4.208 4.340 0.001 0.000 0.208 39 L C 2.132 179.106 176.870 0.174 0.000 1.071 39 L CA 2.253 57.187 54.840 0.157 0.000 0.745 39 L CB -1.014 41.077 42.059 0.053 0.000 0.892 39 L HN 0.188 nan 8.230 nan 0.000 0.431 40 S N -0.179 115.591 115.700 0.116 0.000 2.372 40 S HA -0.263 4.208 4.470 0.001 0.000 0.227 40 S C 2.000 176.693 174.600 0.154 0.000 1.044 40 S CA 1.776 60.041 58.200 0.110 0.000 1.050 40 S CB -0.470 62.781 63.200 0.085 0.000 0.901 40 S HN 0.463 nan 8.310 nan 0.000 0.447 41 R N -0.311 120.294 120.500 0.175 0.000 2.081 41 R HA -0.056 4.285 4.340 0.001 0.000 0.235 41 R C 2.129 178.580 176.300 0.251 0.000 1.131 41 R CA 1.443 57.663 56.100 0.201 0.000 0.960 41 R CB -0.506 29.874 30.300 0.133 0.000 0.856 41 R HN 0.412 nan 8.270 nan 0.000 0.436 42 F N 2.344 122.362 119.950 0.114 0.000 2.069 42 F HA -0.235 4.292 4.527 0.001 0.000 0.298 42 F C 2.170 178.176 175.800 0.343 0.000 1.113 42 F CA 1.695 59.803 58.000 0.181 0.000 1.214 42 F CB -0.460 38.613 39.000 0.121 0.000 0.978 42 F HN -0.037 nan 8.300 nan 0.000 0.474 43 Q N -0.002 119.890 119.800 0.153 0.000 2.135 43 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 43 Q C 2.287 178.271 176.000 -0.027 0.000 0.981 43 Q CA 1.543 57.361 55.803 0.024 0.000 0.856 43 Q CB -0.589 28.183 28.738 0.056 0.000 0.902 43 Q HN 0.529 nan 8.270 nan 0.000 0.425 44 A N 0.835 123.712 122.820 0.094 0.000 2.178 44 A HA -0.124 4.197 4.320 0.001 0.000 0.218 44 A C 2.040 179.785 177.584 0.267 0.000 1.157 44 A CA 1.561 53.689 52.037 0.151 0.000 0.689 44 A CB -0.532 18.595 19.000 0.212 0.000 0.787 44 A HN 0.496 nan 8.150 nan 0.000 0.465 45 T N -4.024 110.676 114.554 0.245 0.000 3.086 45 T HA 0.125 4.475 4.350 0.001 0.000 0.250 45 T C 1.644 176.517 174.700 0.288 0.000 1.074 45 T CA 0.440 62.797 62.100 0.429 0.000 0.988 45 T CB -0.138 68.953 68.868 0.372 0.000 0.988 45 T HN 0.462 nan 8.240 nan 0.000 0.530 46 R N 1.892 122.268 120.500 -0.207 0.000 2.083 46 R HA -0.029 4.312 4.340 0.001 0.000 0.237 46 R C -0.830 175.282 176.300 -0.314 0.000 1.137 46 R CA 1.703 57.360 56.100 -0.739 0.000 0.951 46 R CB -1.140 28.395 30.300 -1.277 0.000 0.851 46 R HN 0.332 nan 8.270 nan 0.000 0.434 47 P HA -0.159 nan 4.420 nan 0.000 0.217 47 P C 0.589 177.672 177.300 -0.362 0.000 1.148 47 P CA 1.485 64.338 63.100 -0.412 0.000 0.828 47 P CB -0.078 31.230 31.700 -0.654 0.000 0.783 48 F N -3.323 116.674 119.950 0.078 0.000 2.234 48 F HA -0.046 4.482 4.527 0.001 0.000 0.296 48 F C 2.459 178.441 175.800 0.304 0.000 1.089 48 F CA 0.692 58.788 58.000 0.160 0.000 1.343 48 F CB -1.426 37.653 39.000 0.132 0.000 1.040 48 F HN -0.136 nan 8.300 nan 0.000 0.498 49 Y N 1.335 121.836 120.300 0.334 0.000 2.181 49 Y HA -0.246 4.305 4.550 0.001 0.000 0.288 49 Y C 2.739 178.777 175.900 0.230 0.000 1.146 49 Y CA 1.594 59.893 58.100 0.333 0.000 1.164 49 Y CB -0.328 38.407 38.460 0.459 0.000 0.982 49 Y HN -0.110 nan 8.280 nan 0.000 0.515 50 R N 0.903 121.529 120.500 0.211 0.000 2.096 50 R HA -0.190 4.151 4.340 0.001 0.000 0.240 50 R C 2.037 178.389 176.300 0.087 0.000 1.139 50 R CA 2.168 58.315 56.100 0.078 0.000 0.952 50 R CB -0.614 29.678 30.300 -0.013 0.000 0.854 50 R HN 0.264 nan 8.270 nan 0.000 0.436 51 E N -0.014 120.288 120.200 0.170 0.000 2.110 51 E HA -0.139 4.212 4.350 0.001 0.000 0.193 51 E C 1.851 178.714 176.600 0.439 0.000 0.988 51 E CA 1.446 58.055 56.400 0.349 0.000 0.804 51 E CB -0.390 29.553 29.700 0.404 0.000 0.745 51 E HN 0.495 nan 8.360 nan 0.000 0.458 52 A N 0.683 123.645 122.820 0.237 0.000 1.930 52 A HA -0.119 4.202 4.320 0.001 0.000 0.217 52 A C 2.592 180.070 177.584 -0.177 0.000 1.175 52 A CA 1.302 53.207 52.037 -0.220 0.000 0.627 52 A CB -0.509 18.366 19.000 -0.209 0.000 0.815 52 A HN 0.137 nan 8.150 nan 0.000 0.443 53 V N -0.139 119.684 119.914 -0.151 0.000 2.270 53 V HA -0.243 3.877 4.120 0.001 0.000 0.245 53 V C 2.589 178.665 176.094 -0.029 0.000 1.043 53 V CA 2.203 64.437 62.300 -0.110 0.000 1.014 53 V CB -0.798 30.970 31.823 -0.093 0.000 0.645 53 V HN 0.619 nan 8.190 nan 0.000 0.447 54 R N -0.826 119.681 120.500 0.013 0.000 2.139 54 R HA -0.184 4.157 4.340 0.001 0.000 0.243 54 R C 2.150 178.423 176.300 -0.045 0.000 1.145 54 R CA 1.549 57.647 56.100 -0.004 0.000 0.976 54 R CB -0.252 30.057 30.300 0.014 0.000 0.866 54 R HN 0.636 nan 8.270 nan 0.000 0.449 55 H N -1.523 117.541 119.070 -0.010 0.000 2.547 55 H HA 0.080 4.637 4.556 0.001 0.000 0.266 55 H C 0.921 176.257 175.328 0.013 0.000 0.988 55 H CA 0.774 56.840 56.048 0.029 0.000 1.147 55 H CB 0.688 30.404 29.762 -0.076 0.000 1.365 55 H HN 0.554 nan 8.280 nan 0.000 0.589 56 G N 1.158 109.977 108.800 0.033 0.000 2.147 56 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 56 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 56 G C 1.069 175.956 174.900 -0.021 0.000 1.005 56 G CA 0.405 45.500 45.100 -0.008 0.000 0.713 56 G HN 0.392 nan 8.290 nan 0.000 0.515 57 L N -0.191 120.999 121.223 -0.054 0.000 2.179 57 L HA 0.086 4.427 4.340 0.001 0.000 0.208 57 L C 2.777 179.625 176.870 -0.037 0.000 1.096 57 L CA 0.580 55.377 54.840 -0.072 0.000 0.779 57 L CB -0.323 41.614 42.059 -0.204 0.000 0.922 57 L HN 0.275 nan 8.230 nan 0.000 0.443 58 I N 0.132 120.674 120.570 -0.046 0.000 2.252 58 I HA -0.273 3.898 4.170 0.001 0.000 0.245 58 I C 2.439 178.598 176.117 0.069 0.000 1.102 58 I CA 1.435 62.756 61.300 0.034 0.000 1.385 58 I CB -1.037 36.995 38.000 0.053 0.000 1.064 58 I HN 0.271 nan 8.210 nan 0.000 0.414 59 K N 1.147 121.573 120.400 0.044 0.000 2.147 59 K HA -0.081 4.239 4.320 0.001 0.000 0.205 59 K C 1.971 178.580 176.600 0.015 0.000 1.049 59 K CA 1.242 57.554 56.287 0.041 0.000 0.936 59 K CB 0.022 32.533 32.500 0.019 0.000 0.722 59 K HN 0.274 nan 8.250 nan 0.000 0.446 60 A N 0.441 123.261 122.820 0.000 0.000 2.209 60 A HA -0.070 4.250 4.320 0.001 0.000 0.212 60 A C 1.483 179.066 177.584 -0.002 0.000 1.158 60 A CA 0.683 52.712 52.037 -0.013 0.000 0.742 60 A CB -0.066 18.925 19.000 -0.015 0.000 0.790 60 A HN 0.283 nan 8.150 nan 0.000 0.472 61 Q N -0.508 119.300 119.800 0.013 0.000 2.424 61 Q HA 0.125 4.465 4.340 0.001 0.000 0.204 61 Q C 0.023 176.015 176.000 -0.014 0.000 0.933 61 Q CA 0.461 56.268 55.803 0.006 0.000 0.929 61 Q CB -0.145 28.603 28.738 0.016 0.000 1.037 61 Q HN 0.397 nan 8.270 nan 0.000 0.511 62 V N 2.913 122.823 119.914 -0.006 0.000 2.435 62 V HA 0.297 4.418 4.120 0.001 0.000 0.290 62 V C -2.270 173.814 176.094 -0.017 0.000 1.030 62 V CA -2.190 60.105 62.300 -0.010 0.000 0.881 62 V CB 1.529 33.363 31.823 0.019 0.000 0.983 62 V HN -0.028 nan 8.190 nan 0.000 0.445 63 P HA 0.218 nan 4.420 nan 0.000 0.269 63 P C 1.033 178.317 177.300 -0.025 0.000 1.217 63 P CA 0.059 63.142 63.100 -0.029 0.000 0.783 63 P CB 0.816 32.500 31.700 -0.026 0.000 0.898 64 I N 2.892 123.441 120.570 -0.035 0.000 2.179 64 I HA -0.168 4.003 4.170 0.001 0.000 0.242 64 I C -0.629 175.476 176.117 -0.020 0.000 1.088 64 I CA 1.656 62.937 61.300 -0.032 0.000 1.357 64 I CB -1.620 36.353 38.000 -0.044 0.000 1.051 64 I HN 0.439 nan 8.210 nan 0.000 0.409 65 P HA -0.146 nan 4.420 nan 0.000 0.227 65 P C 0.736 178.033 177.300 -0.006 0.000 1.145 65 P CA 1.202 64.295 63.100 -0.012 0.000 0.769 65 P CB 0.066 31.758 31.700 -0.013 0.000 0.769 66 L N -2.912 118.309 121.223 -0.003 0.000 3.122 66 L HA 0.435 4.776 4.340 0.001 0.000 0.274 66 L C 1.465 178.344 176.870 0.014 0.000 1.222 66 L CA 0.414 55.258 54.840 0.007 0.000 1.028 66 L CB -0.622 41.441 42.059 0.007 0.000 1.386 66 L HN 0.076 nan 8.230 nan 0.000 0.578 67 G N -1.063 107.741 108.800 0.007 0.000 2.157 67 G HA2 -0.211 3.750 3.960 0.001 0.000 0.248 67 G HA3 -0.211 3.750 3.960 0.001 0.000 0.248 67 G C 0.656 175.563 174.900 0.012 0.000 0.979 67 G CA 0.054 45.159 45.100 0.009 0.000 0.650 67 G HN 0.649 nan 8.290 nan 0.000 0.529 68 G N -1.290 107.514 108.800 0.007 0.000 2.613 68 G HA2 0.664 4.625 3.960 0.001 0.000 0.303 68 G HA3 0.664 4.625 3.960 0.001 0.000 0.303 68 G C 0.796 175.684 174.900 -0.020 0.000 1.312 68 G CA 0.799 45.901 45.100 0.004 0.000 1.036 68 G HN 1.053 nan 8.290 nan 0.000 0.513 69 T N -2.039 112.497 114.554 -0.030 0.000 3.215 69 T HA 0.315 4.665 4.350 0.001 0.000 0.271 69 T C 0.787 175.438 174.700 -0.082 0.000 1.012 69 T CA -0.287 61.779 62.100 -0.056 0.000 0.899 69 T CB -0.145 68.687 68.868 -0.060 0.000 1.089 69 T HN 0.345 nan 8.240 nan 0.000 0.552 70 M N 2.499 122.056 119.600 -0.071 0.000 2.251 70 M HA 0.183 4.664 4.480 0.001 0.000 0.346 70 M C 0.787 176.996 176.300 -0.153 0.000 1.499 70 M CA 0.293 55.538 55.300 -0.093 0.000 1.128 70 M CB 0.512 33.077 32.600 -0.057 0.000 1.809 70 M HN 0.238 nan 8.290 nan 0.000 0.464 71 E N 2.254 122.285 120.200 -0.282 0.000 2.086 71 E HA 0.006 4.357 4.350 0.001 0.000 0.190 71 E C 0.242 176.635 176.600 -0.345 0.000 0.975 71 E CA 0.679 56.813 56.400 -0.443 0.000 0.813 71 E CB 0.285 29.430 29.700 -0.925 0.000 0.768 71 E HN 0.820 nan 8.360 nan 0.000 0.457 72 S N -1.440 114.110 115.700 -0.249 0.000 2.636 72 S HA 0.220 4.691 4.470 0.001 0.000 0.266 72 S C 0.202 174.825 174.600 0.038 0.000 1.147 72 S CA -0.832 57.359 58.200 -0.015 0.000 0.815 72 S CB 0.356 63.620 63.200 0.108 0.000 1.119 72 S HN 0.062 nan 8.310 nan 0.000 0.470 73 L N 1.180 122.415 121.223 0.020 0.000 2.291 73 L HA 0.050 4.391 4.340 0.001 0.000 0.214 73 L C 2.245 179.104 176.870 -0.019 0.000 1.120 73 L CA 0.626 55.474 54.840 0.013 0.000 0.799 73 L CB -0.534 41.533 42.059 0.013 0.000 0.925 73 L HN 0.640 nan 8.230 nan 0.000 0.446 74 V N -0.713 119.150 119.914 -0.085 0.000 2.379 74 V HA -0.268 3.852 4.120 0.001 0.000 0.245 74 V C 2.309 178.256 176.094 -0.245 0.000 1.044 74 V CA 1.632 63.742 62.300 -0.316 0.000 1.036 74 V CB -0.639 30.867 31.823 -0.529 0.000 0.664 74 V HN 0.418 nan 8.190 nan 0.000 0.453 75 H N 0.085 119.052 119.070 -0.171 0.000 2.319 75 H HA -0.194 4.362 4.556 0.001 0.000 0.299 75 H C 2.297 177.604 175.328 -0.035 0.000 1.092 75 H CA 2.031 58.022 56.048 -0.095 0.000 1.302 75 H CB -0.094 29.629 29.762 -0.065 0.000 1.373 75 H HN 0.468 nan 8.280 nan 0.000 0.497 76 E N 0.372 120.641 120.200 0.115 0.000 2.051 76 E HA -0.145 4.205 4.350 0.001 0.000 0.192 76 E C 2.283 178.942 176.600 0.099 0.000 0.991 76 E CA 1.605 58.060 56.400 0.091 0.000 0.799 76 E CB -0.207 29.530 29.700 0.062 0.000 0.748 76 E HN 0.275 nan 8.360 nan 0.000 0.449 77 S N 0.052 115.801 115.700 0.081 0.000 2.359 77 S HA -0.183 4.288 4.470 0.001 0.000 0.223 77 S C 1.988 176.707 174.600 0.198 0.000 1.039 77 S CA 1.468 59.758 58.200 0.149 0.000 1.042 77 S CB -0.454 62.864 63.200 0.198 0.000 0.915 77 S HN 0.312 nan 8.310 nan 0.000 0.439 78 I N 1.093 121.750 120.570 0.146 0.000 2.163 78 I HA -0.226 3.945 4.170 0.001 0.000 0.243 78 I C 2.093 178.310 176.117 0.166 0.000 1.085 78 I CA 1.316 62.717 61.300 0.168 0.000 1.347 78 I CB -0.371 37.660 38.000 0.052 0.000 1.044 78 I HN 0.260 nan 8.210 nan 0.000 0.408 79 I N 0.259 120.919 120.570 0.150 0.000 2.179 79 I HA -0.304 3.867 4.170 0.001 0.000 0.242 79 I C 2.392 178.631 176.117 0.203 0.000 1.088 79 I CA 1.464 62.864 61.300 0.167 0.000 1.357 79 I CB -0.265 37.827 38.000 0.153 0.000 1.051 79 I HN 0.191 nan 8.210 nan 0.000 0.409 80 L N 0.202 121.557 121.223 0.219 0.000 2.083 80 L HA -0.215 4.126 4.340 0.001 0.000 0.209 80 L C 2.570 179.647 176.870 0.346 0.000 1.083 80 L CA 1.333 56.361 54.840 0.314 0.000 0.752 80 L CB -0.669 41.528 42.059 0.230 0.000 0.899 80 L HN 0.348 nan 8.230 nan 0.000 0.433 81 E N 0.297 120.640 120.200 0.238 0.000 2.077 81 E HA -0.228 4.123 4.350 0.001 0.000 0.193 81 E C 1.994 178.725 176.600 0.219 0.000 0.989 81 E CA 1.124 57.651 56.400 0.212 0.000 0.800 81 E CB 0.207 30.017 29.700 0.183 0.000 0.746 81 E HN 0.382 nan 8.360 nan 0.000 0.452 82 E N 0.371 120.689 120.200 0.197 0.000 2.106 82 E HA -0.153 4.198 4.350 0.001 0.000 0.192 82 E C 2.128 178.820 176.600 0.153 0.000 0.984 82 E CA 0.453 56.949 56.400 0.160 0.000 0.806 82 E CB -0.167 29.617 29.700 0.142 0.000 0.750 82 E HN 0.251 nan 8.360 nan 0.000 0.458 83 L N -0.174 121.160 121.223 0.185 0.000 2.005 83 L HA -0.086 4.255 4.340 0.001 0.000 0.207 83 L C 2.221 179.110 176.870 0.033 0.000 1.072 83 L CA 1.487 56.394 54.840 0.112 0.000 0.744 83 L CB -1.091 41.041 42.059 0.122 0.000 0.895 83 L HN 0.061 nan 8.230 nan 0.000 0.433 84 F N -0.547 119.478 119.950 0.126 0.000 2.451 84 F HA -0.067 4.460 4.527 0.001 0.000 0.299 84 F C 2.316 178.176 175.800 0.099 0.000 1.101 84 F CA 0.776 58.854 58.000 0.130 0.000 1.436 84 F CB -0.711 38.374 39.000 0.141 0.000 1.074 84 F HN 0.073 nan 8.300 nan 0.000 0.553 85 A N -0.622 122.326 122.820 0.214 0.000 2.015 85 A HA -0.042 4.279 4.320 0.001 0.000 0.219 85 A C 2.161 179.784 177.584 0.065 0.000 1.163 85 A CA 1.799 53.916 52.037 0.133 0.000 0.646 85 A CB -0.690 18.381 19.000 0.119 0.000 0.806 85 A HN 0.197 nan 8.150 nan 0.000 0.448 86 V N -1.362 118.575 119.914 0.038 0.000 2.627 86 V HA 0.180 4.300 4.120 0.001 0.000 0.239 86 V C 0.449 176.521 176.094 -0.037 0.000 1.077 86 V CA 1.204 63.497 62.300 -0.012 0.000 1.103 86 V CB 0.188 31.995 31.823 -0.027 0.000 0.802 86 V HN 0.575 nan 8.190 nan 0.000 0.482 87 E N -0.504 119.659 120.200 -0.061 0.000 2.454 87 E HA 0.301 4.652 4.350 0.001 0.000 0.315 87 E C -2.637 173.848 176.600 -0.192 0.000 0.907 87 E CA -1.301 55.047 56.400 -0.086 0.000 0.797 87 E CB 1.966 31.616 29.700 -0.083 0.000 1.396 87 E HN 0.042 nan 8.360 nan 0.000 0.389 88 P HA 0.068 nan 4.420 nan 0.000 0.230 88 P C -0.186 177.056 177.300 -0.097 0.000 1.158 88 P CA 0.627 63.569 63.100 -0.263 0.000 0.769 88 P CB 0.250 32.092 31.700 0.236 0.000 0.807 89 A N -0.657 122.124 122.820 -0.065 0.000 2.462 89 A HA 0.296 4.617 4.320 0.001 0.000 0.243 89 A C 1.390 179.015 177.584 0.068 0.000 1.076 89 A CA 1.014 53.041 52.037 -0.018 0.000 0.773 89 A CB -0.844 18.093 19.000 -0.104 0.000 1.010 89 A HN 0.175 nan 8.150 nan 0.000 0.493 90 T N 1.492 116.169 114.554 0.206 0.000 12.001 90 T HA -0.302 4.049 4.350 0.001 0.000 0.418 90 T C 1.900 176.779 174.700 0.299 0.000 1.451 90 T CA 2.464 64.774 62.100 0.351 0.000 2.406 90 T CB -1.768 67.348 68.868 0.415 0.000 2.860 90 T HN 0.918 nan 8.240 nan 0.000 0.883 91 S N 0.557 116.315 115.700 0.097 0.000 2.387 91 S HA -0.116 4.355 4.470 0.001 0.000 0.230 91 S C 1.764 176.459 174.600 0.158 0.000 1.035 91 S CA 1.719 59.885 58.200 -0.058 0.000 1.014 91 S CB -0.356 62.421 63.200 -0.705 0.000 0.836 91 S HN 0.579 nan 8.310 nan 0.000 0.466 92 I N 1.844 122.556 120.570 0.237 0.000 2.252 92 I HA -0.157 4.014 4.170 0.001 0.000 0.245 92 I C 2.093 178.412 176.117 0.337 0.000 1.102 92 I CA 1.483 63.048 61.300 0.440 0.000 1.385 92 I CB -0.757 37.479 38.000 0.394 0.000 1.064 92 I HN 0.200 nan 8.210 nan 0.000 0.414 93 T N 0.958 115.706 114.554 0.324 0.000 2.746 93 T HA -0.135 4.216 4.350 0.001 0.000 0.267 93 T C 2.031 176.970 174.700 0.399 0.000 1.039 93 T CA 2.025 64.304 62.100 0.298 0.000 1.142 93 T CB -0.518 68.527 68.868 0.294 0.000 0.866 93 T HN 0.328 nan 8.240 nan 0.000 0.444 94 I N 0.534 121.399 120.570 0.490 0.000 2.208 94 I HA -0.150 4.021 4.170 0.001 0.000 0.245 94 I C 2.516 178.797 176.117 0.274 0.000 1.097 94 I CA 1.074 62.619 61.300 0.409 0.000 1.363 94 I CB -0.330 37.831 38.000 0.268 0.000 1.051 94 I HN 0.107 nan 8.210 nan 0.000 0.413 95 V N 0.212 120.286 119.914 0.267 0.000 2.725 95 V HA -0.011 4.110 4.120 0.001 0.000 0.247 95 V C 2.457 178.615 176.094 0.107 0.000 1.058 95 V CA 1.437 63.853 62.300 0.192 0.000 1.080 95 V CB 0.168 32.151 31.823 0.266 0.000 0.713 95 V HN 0.413 nan 8.190 nan 0.000 0.465 96 A N -0.836 122.060 122.820 0.127 0.000 1.969 96 A HA -0.168 4.153 4.320 0.001 0.000 0.218 96 A C 2.295 179.887 177.584 0.014 0.000 1.169 96 A CA 2.323 54.388 52.037 0.047 0.000 0.635 96 A CB -0.773 18.262 19.000 0.057 0.000 0.810 96 A HN 0.499 nan 8.150 nan 0.000 0.445 97 T N 0.207 114.808 114.554 0.078 0.000 2.737 97 T HA -0.005 4.345 4.350 0.001 0.000 0.265 97 T C 2.276 176.941 174.700 -0.059 0.000 1.038 97 T CA 1.518 63.649 62.100 0.051 0.000 1.144 97 T CB -0.443 68.567 68.868 0.237 0.000 0.866 97 T HN 0.591 nan 8.240 nan 0.000 0.434 98 A N 1.282 124.094 122.820 -0.013 0.000 1.917 98 A HA -0.079 4.242 4.320 0.001 0.000 0.219 98 A C 2.238 179.746 177.584 -0.126 0.000 1.182 98 A CA 1.518 53.517 52.037 -0.063 0.000 0.633 98 A CB -0.838 18.156 19.000 -0.010 0.000 0.819 98 A HN 0.427 nan 8.150 nan 0.000 0.448 99 L N -0.046 121.095 121.223 -0.138 0.000 2.093 99 L HA 0.045 4.386 4.340 0.001 0.000 0.208 99 L C 2.359 179.077 176.870 -0.253 0.000 1.085 99 L CA 2.170 56.870 54.840 -0.233 0.000 0.755 99 L CB -0.965 40.918 42.059 -0.292 0.000 0.904 99 L HN 0.286 nan 8.230 nan 0.000 0.435 100 G N -0.447 108.234 108.800 -0.198 0.000 2.432 100 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 100 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 100 G C 1.503 176.266 174.900 -0.229 0.000 1.135 100 G CA 1.078 46.064 45.100 -0.190 0.000 0.767 100 G HN 0.453 nan 8.290 nan 0.000 0.550 101 L N -0.177 120.884 121.223 -0.271 0.000 2.341 101 L HA 0.096 4.437 4.340 0.001 0.000 0.214 101 L C 2.857 179.608 176.870 -0.199 0.000 1.115 101 L CA -0.026 54.641 54.840 -0.288 0.000 0.820 101 L CB -0.309 41.537 42.059 -0.355 0.000 0.944 101 L HN 0.084 nan 8.230 nan 0.000 0.452 102 M N 0.287 119.772 119.600 -0.192 0.000 2.108 102 M HA -0.112 4.368 4.480 0.001 0.000 0.261 102 M C -0.186 176.024 176.300 -0.149 0.000 1.066 102 M CA 2.045 57.248 55.300 -0.162 0.000 1.107 102 M CB -2.028 30.465 32.600 -0.179 0.000 1.356 102 M HN 0.046 nan 8.290 nan 0.000 0.406 103 P HA -0.050 nan 4.420 nan 0.000 0.218 103 P C 1.928 179.156 177.300 -0.121 0.000 1.149 103 P CA 0.915 63.931 63.100 -0.141 0.000 0.817 103 P CB -0.089 31.523 31.700 -0.146 0.000 0.785 104 V N -0.063 119.777 119.914 -0.124 0.000 2.261 104 V HA -0.225 3.895 4.120 0.001 0.000 0.246 104 V C 2.358 178.417 176.094 -0.057 0.000 1.047 104 V CA 1.620 63.869 62.300 -0.085 0.000 1.015 104 V CB -1.142 30.640 31.823 -0.070 0.000 0.642 104 V HN 0.036 nan 8.190 nan 0.000 0.446 105 I N -0.481 120.046 120.570 -0.071 0.000 2.399 105 I HA -0.264 3.907 4.170 0.001 0.000 0.254 105 I C 2.002 178.086 176.117 -0.055 0.000 1.146 105 I CA 1.627 62.894 61.300 -0.056 0.000 1.412 105 I CB -0.145 37.814 38.000 -0.068 0.000 1.076 105 I HN 0.280 nan 8.210 nan 0.000 0.432 106 L N -0.035 121.144 121.223 -0.073 0.000 2.585 106 L HA 0.077 4.418 4.340 0.001 0.000 0.226 106 L C 1.462 178.288 176.870 -0.074 0.000 1.113 106 L CA -0.477 54.316 54.840 -0.079 0.000 0.876 106 L CB -0.088 41.909 42.059 -0.103 0.000 1.072 106 L HN 0.442 nan 8.230 nan 0.000 0.468 107 C N -0.925 118.337 119.300 -0.064 0.000 2.633 107 C HA 0.165 4.626 4.460 0.001 0.000 0.345 107 C C 1.494 176.461 174.990 -0.039 0.000 1.384 107 C CA -0.429 58.556 59.018 -0.056 0.000 2.418 107 C CB 0.381 28.090 27.740 -0.052 0.000 2.425 107 C HN 0.549 nan 8.230 nan 0.000 0.705 108 D N -0.018 120.362 120.400 -0.033 0.000 2.336 108 D HA 0.108 4.748 4.640 0.001 0.000 0.228 108 D C 0.281 176.577 176.300 -0.006 0.000 1.120 108 D CA 0.278 54.266 54.000 -0.021 0.000 0.839 108 D CB -0.399 40.388 40.800 -0.023 0.000 0.932 108 D HN 0.538 nan 8.370 nan 0.000 0.509 109 S N 0.472 116.173 115.700 0.001 0.000 2.653 109 S HA 0.402 4.872 4.470 0.001 0.000 0.272 109 S C -2.051 172.567 174.600 0.030 0.000 1.221 109 S CA -1.384 56.827 58.200 0.018 0.000 1.149 109 S CB 1.470 64.686 63.200 0.026 0.000 1.029 109 S HN -0.260 nan 8.310 nan 0.000 0.481 110 P HA -0.137 nan 4.420 nan 0.000 0.217 110 P C 1.464 178.785 177.300 0.034 0.000 1.148 110 P CA 1.283 64.397 63.100 0.025 0.000 0.828 110 P CB 0.065 31.775 31.700 0.016 0.000 0.783 111 S N -1.302 114.421 115.700 0.038 0.000 2.371 111 S HA -0.076 4.395 4.470 0.001 0.000 0.224 111 S C 1.827 176.466 174.600 0.065 0.000 1.029 111 S CA 0.751 58.974 58.200 0.037 0.000 0.978 111 S CB -1.379 61.840 63.200 0.032 0.000 0.833 111 S HN -0.047 nan 8.310 nan 0.000 0.466 112 L N 2.166 123.459 121.223 0.117 0.000 2.017 112 L HA -0.049 4.291 4.340 0.001 0.000 0.208 112 L C 2.799 179.833 176.870 0.273 0.000 1.073 112 L CA 1.634 56.628 54.840 0.257 0.000 0.745 112 L CB -1.423 40.760 42.059 0.207 0.000 0.894 112 L HN 0.387 nan 8.230 nan 0.000 0.432 113 Q N -1.115 118.772 119.800 0.145 0.000 2.061 113 Q HA -0.251 4.090 4.340 0.001 0.000 0.204 113 Q C 2.168 178.231 176.000 0.105 0.000 0.984 113 Q CA 1.676 57.547 55.803 0.114 0.000 0.846 113 Q CB -0.274 28.498 28.738 0.058 0.000 0.902 113 Q HN 0.451 nan 8.270 nan 0.000 0.421 114 E N 1.348 121.585 120.200 0.062 0.000 2.077 114 E HA -0.234 4.117 4.350 0.001 0.000 0.193 114 E C 1.878 178.480 176.600 0.003 0.000 0.989 114 E CA 1.305 57.724 56.400 0.030 0.000 0.800 114 E CB 0.022 29.727 29.700 0.009 0.000 0.746 114 E HN 0.211 nan 8.360 nan 0.000 0.452 115 K N -0.974 119.393 120.400 -0.056 0.000 2.062 115 K HA -0.101 4.220 4.320 0.001 0.000 0.205 115 K C 2.043 178.486 176.600 -0.263 0.000 1.051 115 K CA 1.198 57.341 56.287 -0.240 0.000 0.941 115 K CB -0.141 32.078 32.500 -0.468 0.000 0.719 115 K HN 0.033 nan 8.250 nan 0.000 0.440 116 F N 0.675 120.672 119.950 0.079 0.000 2.530 116 F HA 0.132 4.660 4.527 0.001 0.000 0.292 116 F C 1.699 177.627 175.800 0.213 0.000 1.109 116 F CA 0.366 58.439 58.000 0.122 0.000 1.450 116 F CB 0.090 39.139 39.000 0.081 0.000 1.114 116 F HN -0.086 nan 8.300 nan 0.000 0.560 117 L N -0.215 121.200 121.223 0.320 0.000 2.395 117 L HA -0.087 4.254 4.340 0.001 0.000 0.218 117 L C 2.350 179.435 176.870 0.359 0.000 1.130 117 L CA 0.597 55.640 54.840 0.338 0.000 0.826 117 L CB -0.513 41.652 42.059 0.176 0.000 0.941 117 L HN 0.076 nan 8.230 nan 0.000 0.451 118 K N 1.192 121.711 120.400 0.197 0.000 2.034 118 K HA -0.205 4.116 4.320 0.001 0.000 0.214 118 K C -0.599 176.029 176.600 0.047 0.000 1.051 118 K CA 1.955 58.296 56.287 0.090 0.000 0.931 118 K CB -0.734 31.778 32.500 0.019 0.000 0.715 118 K HN 0.213 nan 8.250 nan 0.000 0.446 119 P HA -0.061 nan 4.420 nan 0.000 0.229 119 P C 0.515 177.658 177.300 -0.261 0.000 1.160 119 P CA 0.993 63.967 63.100 -0.210 0.000 0.777 119 P CB 0.023 31.500 31.700 -0.371 0.000 0.814 120 F N -0.185 119.809 119.950 0.073 0.000 2.473 120 F HA 0.118 4.646 4.527 0.001 0.000 0.294 120 F C 2.022 177.846 175.800 0.041 0.000 1.103 120 F CA 0.510 58.554 58.000 0.073 0.000 1.442 120 F CB -0.799 38.249 39.000 0.081 0.000 1.097 120 F HN -0.149 nan 8.300 nan 0.000 0.547 121 I N -2.009 118.671 120.570 0.183 0.000 3.793 121 I HA 0.102 4.273 4.170 0.001 0.000 0.315 121 I C 1.957 178.102 176.117 0.047 0.000 1.275 121 I CA 0.689 62.049 61.300 0.099 0.000 1.214 121 I CB -0.517 37.533 38.000 0.083 0.000 1.018 121 I HN 0.084 nan 8.210 nan 0.000 0.439 122 S N 1.359 117.077 115.700 0.029 0.000 2.414 122 S HA 0.140 4.611 4.470 0.001 0.000 0.227 122 S C 1.869 176.468 174.600 -0.003 0.000 1.022 122 S CA 0.799 59.000 58.200 0.002 0.000 0.958 122 S CB -0.519 62.669 63.200 -0.020 0.000 0.797 122 S HN 0.824 nan 8.310 nan 0.000 0.493 123 G N 1.420 110.221 108.800 0.001 0.000 2.143 123 G HA2 -0.223 3.738 3.960 0.001 0.000 0.249 123 G HA3 -0.223 3.738 3.960 0.001 0.000 0.249 123 G C -0.240 174.652 174.900 -0.013 0.000 0.981 123 G CA 0.363 45.459 45.100 -0.008 0.000 0.665 123 G HN 0.985 nan 8.290 nan 0.000 0.528 124 E N -1.106 119.087 120.200 -0.012 0.000 2.408 124 E HA 0.653 5.004 4.350 0.001 0.000 0.275 124 E C 0.663 177.261 176.600 -0.003 0.000 0.935 124 E CA -0.554 55.839 56.400 -0.011 0.000 0.775 124 E CB 1.664 31.355 29.700 -0.016 0.000 1.277 124 E HN 1.770 nan 8.360 nan 0.000 0.455 125 G N 1.365 110.169 108.800 0.007 0.000 2.698 125 G HA2 -0.257 3.703 3.960 0.001 0.000 0.233 125 G HA3 -0.257 3.703 3.960 0.001 0.000 0.233 125 G C -0.622 174.340 174.900 0.103 0.000 1.352 125 G CA 0.203 45.322 45.100 0.033 0.000 0.879 125 G HN 0.593 nan 8.290 nan 0.000 0.567 126 E N 1.371 121.691 120.200 0.202 0.000 3.786 126 E HA 0.379 4.730 4.350 0.001 0.000 0.215 126 E C -2.363 174.593 176.600 0.593 0.000 1.188 126 E CA -1.198 55.501 56.400 0.500 0.000 1.248 126 E CB 1.413 31.400 29.700 0.477 0.000 1.260 126 E HN 0.500 nan 8.360 nan 0.000 0.426 127 P HA 0.080 nan 4.420 nan 0.000 0.276 127 P C -0.493 177.083 177.300 0.460 0.000 1.235 127 P CA -0.037 63.144 63.100 0.135 0.000 0.772 127 P CB 1.070 32.456 31.700 -0.524 0.000 0.871 128 L N 2.446 123.884 121.223 0.358 0.000 2.325 128 L HA 0.739 5.080 4.340 0.001 0.000 0.278 128 L C 0.542 177.689 176.870 0.462 0.000 1.023 128 L CA -0.875 54.155 54.840 0.317 0.000 0.811 128 L CB 1.799 43.825 42.059 -0.055 0.000 1.249 128 L HN 0.382 nan 8.230 nan 0.000 0.431 129 A N 1.892 124.887 122.820 0.292 0.000 2.354 129 A HA 0.838 5.159 4.320 0.001 0.000 0.321 129 A C -0.681 176.906 177.584 0.006 0.000 1.125 129 A CA -0.526 51.556 52.037 0.075 0.000 0.799 129 A CB 1.985 20.839 19.000 -0.243 0.000 1.293 129 A HN 0.528 nan 8.150 nan 0.000 0.452 130 S N 0.528 116.217 115.700 -0.018 0.000 2.603 130 S HA 0.462 4.932 4.470 0.001 0.000 0.274 130 S C -1.510 173.061 174.600 -0.049 0.000 1.168 130 S CA -0.444 57.739 58.200 -0.029 0.000 0.963 130 S CB 0.715 63.916 63.200 0.001 0.000 1.078 130 S HN 0.831 nan 8.310 nan 0.000 0.477 131 L N 5.779 126.951 121.223 -0.084 0.000 2.282 131 L HA 0.506 4.847 4.340 0.001 0.000 0.287 131 L C -0.359 176.517 176.870 0.009 0.000 1.075 131 L CA -0.224 54.561 54.840 -0.092 0.000 0.839 131 L CB 0.309 42.225 42.059 -0.238 0.000 1.219 131 L HN 0.744 nan 8.230 nan 0.000 0.434 132 M N 4.953 124.574 119.600 0.034 0.000 2.435 132 M HA 0.132 4.613 4.480 0.001 0.000 0.344 132 M C 0.519 176.876 176.300 0.096 0.000 1.329 132 M CA 0.063 55.407 55.300 0.073 0.000 1.320 132 M CB 0.373 33.021 32.600 0.080 0.000 1.309 132 M HN 0.601 nan 8.290 nan 0.000 0.451 133 H N 0.149 119.226 119.070 0.011 0.000 2.408 133 H HA 0.279 4.836 4.556 0.001 0.000 0.271 133 H C 0.131 175.393 175.328 -0.109 0.000 0.957 133 H CA 0.178 56.175 56.048 -0.085 0.000 1.170 133 H CB 0.825 30.526 29.762 -0.101 0.000 1.458 133 H HN 0.454 nan 8.280 nan 0.000 0.491 134 S N 1.489 117.199 115.700 0.018 0.000 2.572 134 S HA 0.130 4.600 4.470 0.001 0.000 0.279 134 S C -0.156 174.456 174.600 0.019 0.000 1.341 134 S CA 0.078 58.292 58.200 0.023 0.000 1.043 134 S CB 1.195 64.517 63.200 0.203 0.000 0.887 134 S HN 0.370 nan 8.310 nan 0.000 0.516 135 E N 1.502 121.713 120.200 0.018 0.000 2.369 135 E HA 0.266 4.616 4.350 0.001 0.000 0.270 135 E C -2.051 174.548 176.600 -0.003 0.000 0.909 135 E CA -2.206 54.185 56.400 -0.015 0.000 0.775 135 E CB 1.332 31.005 29.700 -0.045 0.000 1.270 135 E HN 0.167 nan 8.360 nan 0.000 0.445 136 P HA -0.204 nan 4.420 nan 0.000 0.218 136 P C 0.273 177.553 177.300 -0.034 0.000 1.152 136 P CA 1.554 64.566 63.100 -0.148 0.000 0.857 136 P CB 0.140 31.737 31.700 -0.170 0.000 0.787 137 N N -1.640 117.055 118.700 -0.007 0.000 2.336 137 N HA 0.200 4.941 4.740 0.001 0.000 0.189 137 N C 0.598 176.125 175.510 0.029 0.000 1.113 137 N CA 0.292 53.348 53.050 0.011 0.000 0.858 137 N CB 0.288 38.780 38.487 0.009 0.000 0.970 137 N HN 0.124 nan 8.380 nan 0.000 0.471 138 G N 0.313 109.138 108.800 0.042 0.000 2.663 138 G HA2 -0.210 3.750 3.960 0.001 0.000 0.686 138 G HA3 -0.210 3.750 3.960 0.001 0.000 0.686 138 G C 0.239 175.147 174.900 0.014 0.000 1.288 138 G CA -0.135 44.989 45.100 0.041 0.000 0.836 138 G HN 0.155 nan 8.290 nan 0.000 0.584 139 T N -2.620 111.934 114.554 0.000 0.000 3.041 139 T HA 0.582 4.933 4.350 0.001 0.000 0.276 139 T C 2.282 177.056 174.700 0.124 0.000 0.948 139 T CA 1.369 63.468 62.100 -0.001 0.000 0.885 139 T CB 0.581 69.340 68.868 -0.182 0.000 1.175 139 T HN 2.030 nan 8.240 nan 0.000 0.529 140 A N 2.928 125.796 122.820 0.080 0.000 1.986 140 A HA -0.101 4.220 4.320 0.001 0.000 0.220 140 A C 1.683 179.364 177.584 0.163 0.000 1.171 140 A CA 1.701 53.799 52.037 0.102 0.000 0.640 140 A CB -0.783 18.240 19.000 0.038 0.000 0.811 140 A HN 0.625 nan 8.150 nan 0.000 0.451 141 N N -0.352 118.436 118.700 0.147 0.000 2.251 141 N HA 0.059 4.800 4.740 0.001 0.000 0.217 141 N C 1.020 176.617 175.510 0.144 0.000 1.124 141 N CA 0.209 53.326 53.050 0.112 0.000 0.843 141 N CB 0.084 38.604 38.487 0.055 0.000 1.024 141 N HN 0.831 nan 8.380 nan 0.000 0.501 142 W N 0.496 121.792 121.300 -0.007 0.000 2.331 142 W HA -0.094 4.567 4.660 0.001 0.000 0.291 142 W C 0.039 176.561 176.519 0.006 0.000 1.214 142 W CA 0.598 57.940 57.345 -0.005 0.000 1.228 142 W CB -0.740 28.722 29.460 0.004 0.000 1.135 142 W HN 0.110 nan 8.180 nan 0.000 0.537 143 L N 1.153 122.066 121.223 -0.517 0.000 2.700 143 L HA 0.205 4.546 4.340 0.001 0.000 0.234 143 L C 1.255 177.972 176.870 -0.254 0.000 1.156 143 L CA -0.033 54.469 54.840 -0.564 0.000 0.946 143 L CB -0.508 41.092 42.059 -0.766 0.000 1.216 143 L HN -0.085 nan 8.230 nan 0.000 0.493 144 Q N 2.458 122.176 119.800 -0.135 0.000 2.293 144 Q HA 0.066 4.407 4.340 0.001 0.000 0.263 144 Q C -0.083 175.876 176.000 -0.068 0.000 1.002 144 Q CA -0.096 55.659 55.803 -0.079 0.000 0.910 144 Q CB 0.841 29.557 28.738 -0.035 0.000 1.185 144 Q HN 0.089 nan 8.270 nan 0.000 0.401 145 K N 2.762 123.122 120.400 -0.067 0.000 2.412 145 K HA 0.124 4.444 4.320 0.001 0.000 0.284 145 K C 0.492 177.072 176.600 -0.033 0.000 1.046 145 K CA 1.130 57.386 56.287 -0.051 0.000 0.999 145 K CB 0.041 32.512 32.500 -0.049 0.000 0.941 145 K HN 0.938 nan 8.250 nan 0.000 0.474 146 G N 2.450 111.235 108.800 -0.025 0.000 2.176 146 G HA2 -0.201 3.760 3.960 0.001 0.000 0.232 146 G HA3 -0.201 3.760 3.960 0.001 0.000 0.232 146 G C 0.270 175.164 174.900 -0.010 0.000 0.986 146 G CA -0.220 44.870 45.100 -0.015 0.000 0.643 146 G HN 0.917 nan 8.290 nan 0.000 0.522 147 G N -0.197 108.597 108.800 -0.011 0.000 2.491 147 G HA2 0.706 4.667 3.960 0.001 0.000 0.327 147 G HA3 0.706 4.667 3.960 0.001 0.000 0.327 147 G C -0.552 174.352 174.900 0.006 0.000 1.189 147 G CA -0.439 44.660 45.100 -0.000 0.000 0.956 147 G HN 0.049 nan 8.290 nan 0.000 0.491 148 P HA 0.056 nan 4.420 nan 0.000 0.230 148 P C 1.300 178.618 177.300 0.030 0.000 1.158 148 P CA 1.170 64.282 63.100 0.020 0.000 0.769 148 P CB -0.044 31.669 31.700 0.022 0.000 0.807 149 G N 0.701 109.524 108.800 0.039 0.000 2.740 149 G HA2 -0.274 3.686 3.960 0.001 0.000 0.250 149 G HA3 -0.274 3.686 3.960 0.001 0.000 0.250 149 G C -0.398 174.552 174.900 0.083 0.000 1.358 149 G CA -0.438 44.702 45.100 0.066 0.000 0.897 149 G HN 0.300 nan 8.290 nan 0.000 0.567 150 L N 0.438 121.729 121.223 0.114 0.000 2.559 150 L HA 0.059 4.399 4.340 0.001 0.000 0.282 150 L C 1.651 178.544 176.870 0.039 0.000 1.232 150 L CA 0.236 55.115 54.840 0.066 0.000 0.885 150 L CB 0.478 42.577 42.059 0.067 0.000 1.131 150 L HN 0.573 nan 8.230 nan 0.000 0.498 151 Q N 0.887 120.699 119.800 0.020 0.000 2.282 151 Q HA 0.127 4.468 4.340 0.001 0.000 0.206 151 Q C -0.009 176.009 176.000 0.029 0.000 0.878 151 Q CA 0.197 56.015 55.803 0.025 0.000 0.944 151 Q CB 0.574 29.325 28.738 0.022 0.000 1.100 151 Q HN 0.614 nan 8.270 nan 0.000 0.509 152 T N 2.482 117.047 114.554 0.019 0.000 2.744 152 T HA 0.360 4.710 4.350 0.001 0.000 0.291 152 T C 0.133 174.840 174.700 0.011 0.000 0.957 152 T CA -0.138 61.976 62.100 0.023 0.000 1.002 152 T CB 0.981 69.857 68.868 0.014 0.000 0.919 152 T HN 0.191 nan 8.240 nan 0.000 0.468 153 T N 0.148 114.716 114.554 0.023 0.000 2.893 153 T HA 0.832 5.183 4.350 0.001 0.000 0.291 153 T C -0.727 174.003 174.700 0.050 0.000 1.028 153 T CA -1.074 61.049 62.100 0.038 0.000 0.995 153 T CB 1.958 70.859 68.868 0.056 0.000 1.051 153 T HN 0.591 nan 8.240 nan 0.000 0.470 154 A N 2.588 125.464 122.820 0.093 0.000 2.355 154 A HA 0.845 5.166 4.320 0.001 0.000 0.317 154 A C 0.005 177.796 177.584 0.343 0.000 1.094 154 A CA -1.228 50.929 52.037 0.201 0.000 0.764 154 A CB 1.134 20.234 19.000 0.167 0.000 1.230 154 A HN 1.105 nan 8.150 nan 0.000 0.448 155 R N 0.893 121.573 120.500 0.299 0.000 2.778 155 R HA 0.735 5.076 4.340 0.001 0.000 0.277 155 R C -0.861 175.419 176.300 -0.033 0.000 0.977 155 R CA -0.894 55.310 56.100 0.175 0.000 0.950 155 R CB 1.296 31.630 30.300 0.057 0.000 1.165 155 R HN 0.361 nan 8.270 nan 0.000 0.474 156 K N 1.892 122.019 120.400 -0.455 0.000 2.267 156 K HA 0.235 4.556 4.320 0.001 0.000 0.282 156 K C -1.328 175.049 176.600 -0.371 0.000 1.078 156 K CA -0.478 55.317 56.287 -0.819 0.000 0.903 156 K CB 1.246 32.998 32.500 -1.247 0.000 1.111 156 K HN 0.503 nan 8.250 nan 0.000 0.475 157 V N 5.415 125.181 119.914 -0.246 0.000 2.305 157 V HA 0.569 4.690 4.120 0.001 0.000 0.275 157 V C 0.824 176.858 176.094 -0.101 0.000 1.020 157 V CA 0.128 62.360 62.300 -0.114 0.000 0.811 157 V CB 0.091 31.910 31.823 -0.006 0.000 1.031 157 V HN 1.056 nan 8.190 nan 0.000 0.439 158 G N 5.247 113.968 108.800 -0.132 0.000 2.552 158 G HA2 -0.279 3.682 3.960 0.001 0.000 0.267 158 G HA3 -0.279 3.682 3.960 0.001 0.000 0.267 158 G C 0.555 175.370 174.900 -0.142 0.000 1.174 158 G CA 0.390 45.424 45.100 -0.110 0.000 0.955 158 G HN 0.971 nan 8.290 nan 0.000 0.546 159 N N 2.203 120.851 118.700 -0.088 0.000 2.251 159 N HA 0.224 4.965 4.740 0.001 0.000 0.217 159 N C 0.139 175.661 175.510 0.019 0.000 1.124 159 N CA 0.865 53.879 53.050 -0.060 0.000 0.843 159 N CB 0.610 39.085 38.487 -0.020 0.000 1.024 159 N HN 0.818 nan 8.380 nan 0.000 0.501 160 E N -0.394 119.799 120.200 -0.013 0.000 2.367 160 E HA 0.301 4.652 4.350 0.001 0.000 0.273 160 E C -1.362 175.242 176.600 0.005 0.000 0.903 160 E CA -0.788 55.671 56.400 0.098 0.000 0.764 160 E CB 1.328 31.126 29.700 0.163 0.000 1.252 160 E HN 0.093 nan 8.360 nan 0.000 0.446 161 W N 1.078 122.451 121.300 0.122 0.000 2.381 161 W HA 0.440 5.101 4.660 0.001 0.000 0.329 161 W C -0.549 175.987 176.519 0.028 0.000 1.157 161 W CA -0.417 56.975 57.345 0.078 0.000 1.240 161 W CB 1.147 30.647 29.460 0.067 0.000 1.199 161 W HN 0.134 nan 8.180 nan 0.000 0.579 162 V N 5.170 125.207 119.914 0.205 0.000 2.409 162 V HA 0.374 4.494 4.120 0.001 0.000 0.291 162 V C -0.137 176.007 176.094 0.084 0.000 1.020 162 V CA -1.032 61.273 62.300 0.010 0.000 0.848 162 V CB 0.956 32.701 31.823 -0.130 0.000 0.990 162 V HN 0.321 nan 8.190 nan 0.000 0.430 163 I N 3.511 124.134 120.570 0.089 0.000 2.331 163 I HA 0.436 4.607 4.170 0.001 0.000 0.292 163 I C 0.309 176.488 176.117 0.102 0.000 0.998 163 I CA 0.265 61.590 61.300 0.041 0.000 1.267 163 I CB 1.536 39.424 38.000 -0.186 0.000 1.386 163 I HN 0.510 nan 8.210 nan 0.000 0.476 164 S N 3.794 119.543 115.700 0.080 0.000 2.519 164 S HA 0.895 5.366 4.470 0.001 0.000 0.309 164 S C 0.064 174.727 174.600 0.105 0.000 1.100 164 S CA -0.476 57.788 58.200 0.107 0.000 1.059 164 S CB 1.816 65.059 63.200 0.072 0.000 1.008 164 S HN 1.047 nan 8.310 nan 0.000 0.478 165 G N 2.633 111.519 108.800 0.143 0.000 2.357 165 G HA2 0.212 4.173 3.960 0.001 0.000 0.289 165 G HA3 0.212 4.173 3.960 0.001 0.000 0.289 165 G C -2.168 172.809 174.900 0.128 0.000 1.302 165 G CA -0.864 44.302 45.100 0.111 0.000 0.936 165 G HN 0.544 nan 8.290 nan 0.000 0.513 166 E N -0.027 120.221 120.200 0.080 0.000 2.266 166 E HA 0.603 4.954 4.350 0.001 0.000 0.268 166 E C -0.822 175.808 176.600 0.050 0.000 0.879 166 E CA -1.006 55.415 56.400 0.036 0.000 0.762 166 E CB 2.226 31.962 29.700 0.059 0.000 1.199 166 E HN 0.251 nan 8.360 nan 0.000 0.422 167 K N 1.882 122.290 120.400 0.014 0.000 2.328 167 K HA 0.606 4.926 4.320 0.001 0.000 0.246 167 K C -1.001 175.575 176.600 -0.041 0.000 0.955 167 K CA -0.775 55.514 56.287 0.002 0.000 0.817 167 K CB 1.955 34.477 32.500 0.037 0.000 1.208 167 K HN 0.443 nan 8.250 nan 0.000 0.432 168 L N 1.643 122.808 121.223 -0.097 0.000 2.472 168 L HA 0.322 4.663 4.340 0.001 0.000 0.260 168 L C -0.771 176.008 176.870 -0.151 0.000 0.963 168 L CA -0.208 54.445 54.840 -0.312 0.000 0.829 168 L CB 1.342 43.038 42.059 -0.605 0.000 1.348 168 L HN 0.923 nan 8.230 nan 0.000 0.408 169 W N 0.404 121.663 121.300 -0.069 0.000 0.883 169 W HA -0.186 4.474 4.660 0.001 0.000 0.225 169 W C -1.907 174.591 176.519 -0.034 0.000 0.945 169 W CA -0.426 56.891 57.345 -0.046 0.000 0.357 169 W CB -1.918 27.525 29.460 -0.029 0.000 1.943 169 W HN 0.325 nan 8.180 nan 0.000 1.179 170 P HA 0.289 nan 4.420 nan 0.000 0.276 170 P C 0.202 177.518 177.300 0.027 0.000 1.264 170 P CA 0.563 63.721 63.100 0.097 0.000 0.769 170 P CB 1.390 33.132 31.700 0.070 0.000 0.840 171 S N 3.473 119.187 115.700 0.022 0.000 2.562 171 S HA 0.068 4.539 4.470 0.001 0.000 0.281 171 S C 0.905 175.446 174.600 -0.098 0.000 1.333 171 S CA 0.255 58.423 58.200 -0.053 0.000 1.052 171 S CB -0.444 62.751 63.200 -0.008 0.000 0.884 171 S HN 0.519 nan 8.310 nan 0.000 0.506 172 N N 0.319 118.889 118.700 -0.217 0.000 2.980 172 N HA -0.201 4.540 4.740 0.001 0.000 0.219 172 N C 1.316 176.771 175.510 -0.092 0.000 0.883 172 N CA 1.454 54.385 53.050 -0.198 0.000 1.018 172 N CB -1.944 36.476 38.487 -0.112 0.000 1.041 172 N HN 0.658 nan 8.380 nan 0.000 0.592 173 S N -0.656 115.009 115.700 -0.058 0.000 2.370 173 S HA -0.064 4.406 4.470 0.001 0.000 0.226 173 S C 1.782 176.434 174.600 0.086 0.000 1.033 173 S CA 1.506 59.714 58.200 0.014 0.000 1.011 173 S CB -0.670 62.527 63.200 -0.004 0.000 0.852 173 S HN 0.556 nan 8.310 nan 0.000 0.457 174 G N 0.493 109.348 108.800 0.092 0.000 3.314 174 G HA2 0.506 4.467 3.960 0.001 0.000 0.238 174 G HA3 0.506 4.467 3.960 0.001 0.000 0.238 174 G C 0.841 175.909 174.900 0.281 0.000 1.184 174 G CA 0.062 45.307 45.100 0.241 0.000 0.806 174 G HN 1.133 nan 8.290 nan 0.000 0.536 175 G N -0.604 108.278 108.800 0.138 0.000 2.682 175 G HA2 -0.328 3.633 3.960 0.001 0.000 0.256 175 G HA3 -0.328 3.633 3.960 0.001 0.000 0.256 175 G C 0.728 175.705 174.900 0.128 0.000 1.333 175 G CA 0.145 45.279 45.100 0.056 0.000 0.904 175 G HN 0.311 nan 8.290 nan 0.000 0.569 176 W N 0.108 121.526 121.300 0.196 0.000 2.525 176 W HA 0.203 4.864 4.660 0.001 0.000 0.259 176 W C 2.072 178.607 176.519 0.026 0.000 1.253 176 W CA 1.059 58.453 57.345 0.081 0.000 1.262 176 W CB 0.120 29.546 29.460 -0.056 0.000 1.122 176 W HN 0.698 nan 8.180 nan 0.000 0.607 177 D N -4.041 116.507 120.400 0.246 0.000 2.539 177 D HA -0.056 4.584 4.640 0.001 0.000 0.232 177 D C 0.142 176.539 176.300 0.161 0.000 1.256 177 D CA -0.561 53.511 54.000 0.121 0.000 0.810 177 D CB -0.907 39.977 40.800 0.141 0.000 1.090 177 D HN 0.060 nan 8.370 nan 0.000 0.519 178 Y N 0.480 120.879 120.300 0.165 0.000 4.490 178 Y HA -0.232 4.319 4.550 0.001 0.000 0.233 178 Y C 0.648 176.660 175.900 0.188 0.000 1.101 178 Y CA 0.048 58.241 58.100 0.155 0.000 2.010 178 Y CB -2.577 35.949 38.460 0.109 0.000 1.622 178 Y HN 0.241 nan 8.280 nan 0.000 0.675 179 K N 0.292 120.860 120.400 0.280 0.000 2.372 179 K HA 0.480 4.800 4.320 0.001 0.000 0.200 179 K C 1.108 177.736 176.600 0.047 0.000 1.022 179 K CA 0.563 56.940 56.287 0.150 0.000 1.125 179 K CB 0.617 33.188 32.500 0.118 0.000 0.855 179 K HN 0.449 nan 8.250 nan 0.000 0.524 180 G N 0.921 109.802 108.800 0.135 0.000 2.617 180 G HA2 0.036 3.996 3.960 0.001 0.000 0.686 180 G HA3 0.036 3.996 3.960 0.001 0.000 0.686 180 G C -0.724 174.243 174.900 0.111 0.000 1.214 180 G CA -0.749 44.404 45.100 0.088 0.000 0.796 180 G HN 0.199 nan 8.290 nan 0.000 0.654 181 A N 0.287 123.175 122.820 0.113 0.000 2.445 181 A HA 0.536 4.857 4.320 0.001 0.000 0.242 181 A C 1.290 178.960 177.584 0.144 0.000 1.075 181 A CA 1.135 53.237 52.037 0.108 0.000 0.777 181 A CB 0.066 19.127 19.000 0.102 0.000 1.013 181 A HN 0.889 nan 8.150 nan 0.000 0.493 182 D N -0.689 119.819 120.400 0.180 0.000 2.221 182 D HA 0.040 4.680 4.640 0.001 0.000 0.204 182 D C 0.129 176.598 176.300 0.283 0.000 0.982 182 D CA 1.567 55.684 54.000 0.194 0.000 0.857 182 D CB -0.100 40.771 40.800 0.117 0.000 0.934 182 D HN 0.287 nan 8.370 nan 0.000 0.475 183 L N -0.846 120.576 121.223 0.330 0.000 2.505 183 L HA 0.637 4.978 4.340 0.001 0.000 0.266 183 L C -1.931 175.013 176.870 0.123 0.000 0.954 183 L CA -0.948 54.047 54.840 0.258 0.000 0.852 183 L CB 1.874 44.143 42.059 0.351 0.000 1.282 183 L HN -0.148 nan 8.230 nan 0.000 0.403 184 A N 3.877 126.734 122.820 0.061 0.000 2.359 184 A HA 0.684 5.005 4.320 0.001 0.000 0.303 184 A C -0.969 176.588 177.584 -0.044 0.000 1.066 184 A CA -0.458 51.593 52.037 0.024 0.000 0.730 184 A CB 1.068 20.116 19.000 0.081 0.000 1.211 184 A HN 0.747 nan 8.150 nan 0.000 0.439 185 C N 3.079 122.334 119.300 -0.075 0.000 2.256 185 C HA 0.474 4.934 4.460 0.001 0.000 0.333 185 C C 0.472 175.417 174.990 -0.076 0.000 1.183 185 C CA -0.619 58.333 59.018 -0.111 0.000 1.692 185 C CB -0.774 26.886 27.740 -0.134 0.000 2.274 185 C HN 0.556 nan 8.230 nan 0.000 0.509 186 V N 5.232 125.086 119.914 -0.100 0.000 2.385 186 V HA 0.206 4.327 4.120 0.001 0.000 0.269 186 V C 0.254 176.281 176.094 -0.111 0.000 1.043 186 V CA -0.182 62.054 62.300 -0.107 0.000 0.906 186 V CB 0.942 32.633 31.823 -0.220 0.000 0.995 186 V HN 0.659 nan 8.190 nan 0.000 0.467 187 V N 4.951 124.834 119.914 -0.052 0.000 2.408 187 V HA 0.297 4.417 4.120 0.001 0.000 0.267 187 V C 0.216 176.286 176.094 -0.040 0.000 1.047 187 V CA -0.172 62.121 62.300 -0.011 0.000 0.937 187 V CB 0.752 32.645 31.823 0.116 0.000 0.999 187 V HN 1.000 nan 8.190 nan 0.000 0.472 188 C N 4.826 124.102 119.300 -0.041 0.000 2.667 188 C HA 0.645 5.106 4.460 0.001 0.000 0.323 188 C C 0.333 175.336 174.990 0.021 0.000 1.214 188 C CA -1.074 57.919 59.018 -0.041 0.000 1.721 188 C CB 1.746 29.427 27.740 -0.100 0.000 2.275 188 C HN 0.945 nan 8.230 nan 0.000 0.491 189 R N 1.086 121.611 120.500 0.041 0.000 2.312 189 R HA 0.556 4.896 4.340 0.001 0.000 0.311 189 R C -1.087 175.248 176.300 0.058 0.000 1.004 189 R CA -0.245 55.891 56.100 0.060 0.000 0.902 189 R CB 0.707 31.049 30.300 0.069 0.000 1.073 189 R HN 0.640 nan 8.270 nan 0.000 0.457 190 V N 3.986 123.941 119.914 0.068 0.000 2.446 190 V HA 0.101 4.221 4.120 0.001 0.000 0.276 190 V C 0.052 176.217 176.094 0.118 0.000 1.030 190 V CA 0.470 62.850 62.300 0.133 0.000 1.033 190 V CB 0.913 32.834 31.823 0.163 0.000 0.993 190 V HN 0.754 nan 8.190 nan 0.000 0.477 191 S N 3.294 119.071 115.700 0.128 0.000 2.776 191 S HA 0.281 4.752 4.470 0.001 0.000 0.284 191 S C 0.602 175.253 174.600 0.085 0.000 1.160 191 S CA -0.724 57.529 58.200 0.089 0.000 1.051 191 S CB 1.288 64.527 63.200 0.066 0.000 1.037 191 S HN 0.795 nan 8.310 nan 0.000 0.485 192 D N 2.343 122.782 120.400 0.065 0.000 2.178 192 D HA -0.057 4.583 4.640 0.001 0.000 0.201 192 D C -0.029 176.289 176.300 0.030 0.000 0.980 192 D CA 1.249 55.272 54.000 0.038 0.000 0.842 192 D CB 0.255 41.067 40.800 0.021 0.000 0.948 192 D HN 0.602 nan 8.370 nan 0.000 0.472 193 D N -0.796 119.623 120.400 0.032 0.000 2.454 193 D HA 0.126 4.767 4.640 0.001 0.000 0.247 193 D C -1.756 174.563 176.300 0.032 0.000 1.129 193 D CA -2.059 51.957 54.000 0.027 0.000 0.877 193 D CB 1.855 42.667 40.800 0.020 0.000 1.082 193 D HN -0.139 nan 8.370 nan 0.000 0.537 194 P HA -0.162 nan 4.420 nan 0.000 0.219 194 P C 1.069 178.387 177.300 0.030 0.000 1.146 194 P CA 0.824 63.947 63.100 0.037 0.000 0.808 194 P CB 0.214 31.938 31.700 0.039 0.000 0.779 195 S N -1.718 113.997 115.700 0.025 0.000 2.470 195 S HA 0.023 4.493 4.470 0.001 0.000 0.225 195 S C 1.057 175.668 174.600 0.019 0.000 1.006 195 S CA 0.091 58.303 58.200 0.020 0.000 0.934 195 S CB -0.576 62.635 63.200 0.017 0.000 0.778 195 S HN 0.067 nan 8.310 nan 0.000 0.517 196 K N 3.413 123.825 120.400 0.020 0.000 2.322 196 K HA 0.304 4.625 4.320 0.001 0.000 0.283 196 K C -2.495 174.117 176.600 0.019 0.000 1.042 196 K CA -1.932 54.365 56.287 0.018 0.000 0.958 196 K CB 0.464 32.974 32.500 0.017 0.000 0.984 196 K HN 0.284 nan 8.250 nan 0.000 0.473 197 P HA -0.095 nan 4.420 nan 0.000 0.267 197 P C -0.659 176.650 177.300 0.015 0.000 1.200 197 P CA -0.067 63.042 63.100 0.015 0.000 0.772 197 P CB 0.522 32.228 31.700 0.011 0.000 0.855 198 Q N 1.621 121.430 119.800 0.016 0.000 2.283 198 Q HA -0.084 4.257 4.340 0.001 0.000 0.301 198 Q C 0.049 176.054 176.000 0.008 0.000 1.063 198 Q CA 0.036 55.847 55.803 0.014 0.000 0.952 198 Q CB 0.106 28.852 28.738 0.013 0.000 1.166 198 Q HN 0.331 nan 8.270 nan 0.000 0.381 199 D N 6.189 126.593 120.400 0.007 0.000 2.389 199 D HA -0.003 4.638 4.640 0.001 0.000 0.263 199 D C -1.638 174.660 176.300 -0.003 0.000 1.255 199 D CA -1.677 52.326 54.000 0.003 0.000 0.914 199 D CB 1.070 41.873 40.800 0.005 0.000 1.116 199 D HN 0.414 nan 8.370 nan 0.000 0.502 200 P HA -0.093 nan 4.420 nan 0.000 0.231 200 P C 0.287 177.580 177.300 -0.011 0.000 1.158 200 P CA 0.608 63.703 63.100 -0.008 0.000 0.763 200 P CB 0.359 32.056 31.700 -0.006 0.000 0.805 201 N N -0.477 118.218 118.700 -0.009 0.000 2.325 201 N HA 0.032 4.773 4.740 0.001 0.000 0.182 201 N C 0.426 175.929 175.510 -0.012 0.000 1.088 201 N CA 0.187 53.232 53.050 -0.010 0.000 0.879 201 N CB 0.974 39.457 38.487 -0.006 0.000 0.983 201 N HN 0.114 nan 8.380 nan 0.000 0.471 202 V N 1.989 121.895 119.914 -0.014 0.000 2.417 202 V HA 0.223 4.344 4.120 0.001 0.000 0.291 202 V C -0.990 175.086 176.094 -0.030 0.000 1.024 202 V CA -0.791 61.499 62.300 -0.017 0.000 0.861 202 V CB 1.412 33.230 31.823 -0.008 0.000 0.985 202 V HN -0.037 nan 8.190 nan 0.000 0.436 203 D N 8.620 128.997 120.400 -0.038 0.000 2.520 203 D HA 0.067 4.708 4.640 0.001 0.000 0.243 203 D C -1.636 174.620 176.300 -0.074 0.000 1.160 203 D CA -0.807 53.157 54.000 -0.060 0.000 0.877 203 D CB 1.597 42.361 40.800 -0.061 0.000 1.150 203 D HN 0.476 nan 8.370 nan 0.000 0.494 204 P HA -0.168 nan 4.420 nan 0.000 0.218 204 P C 1.055 178.262 177.300 -0.154 0.000 1.146 204 P CA 1.245 64.275 63.100 -0.117 0.000 0.813 204 P CB 0.262 31.867 31.700 -0.158 0.000 0.778 205 A N -0.474 122.232 122.820 -0.190 0.000 2.015 205 A HA -0.142 4.179 4.320 0.001 0.000 0.219 205 A C 2.100 179.624 177.584 -0.101 0.000 1.163 205 A CA 2.066 53.983 52.037 -0.200 0.000 0.646 205 A CB -1.798 17.084 19.000 -0.197 0.000 0.806 205 A HN 0.345 nan 8.150 nan 0.000 0.448 206 T N -3.473 111.040 114.554 -0.069 0.000 3.160 206 T HA 0.021 4.371 4.350 0.001 0.000 0.257 206 T C 1.075 175.768 174.700 -0.012 0.000 1.147 206 T CA 0.865 62.945 62.100 -0.033 0.000 1.064 206 T CB -0.028 68.826 68.868 -0.022 0.000 0.949 206 T HN 0.350 nan 8.240 nan 0.000 0.526 207 Q N 0.478 120.269 119.800 -0.016 0.000 2.198 207 Q HA 0.354 4.695 4.340 0.001 0.000 0.209 207 Q C -0.172 175.840 176.000 0.020 0.000 0.848 207 Q CA -0.189 55.622 55.803 0.013 0.000 0.974 207 Q CB 0.481 29.230 28.738 0.019 0.000 1.115 207 Q HN 0.493 nan 8.270 nan 0.000 0.494 208 I N 1.245 121.823 120.570 0.015 0.000 2.395 208 I HA 0.462 4.632 4.170 0.001 0.000 0.289 208 I C 0.201 176.312 176.117 -0.010 0.000 1.023 208 I CA -0.745 60.588 61.300 0.055 0.000 1.350 208 I CB 0.788 38.865 38.000 0.129 0.000 1.409 208 I HN -0.114 nan 8.210 nan 0.000 0.507 209 A N 6.438 129.222 122.820 -0.060 0.000 2.435 209 A HA 0.811 5.132 4.320 0.001 0.000 0.304 209 A C -1.084 176.394 177.584 -0.176 0.000 1.064 209 A CA -0.522 51.401 52.037 -0.189 0.000 0.727 209 A CB 1.812 20.567 19.000 -0.407 0.000 1.284 209 A HN 0.370 nan 8.150 nan 0.000 0.415 210 V N 2.219 122.007 119.914 -0.209 0.000 2.487 210 V HA 0.504 4.625 4.120 0.001 0.000 0.298 210 V C -0.660 175.278 176.094 -0.260 0.000 1.028 210 V CA -0.232 61.956 62.300 -0.187 0.000 0.860 210 V CB 1.264 33.009 31.823 -0.129 0.000 0.991 210 V HN 0.732 nan 8.190 nan 0.000 0.427 211 L N 5.598 126.674 121.223 -0.245 0.000 2.356 211 L HA 0.566 4.906 4.340 0.001 0.000 0.277 211 L C -0.595 176.160 176.870 -0.192 0.000 0.996 211 L CA -0.451 54.244 54.840 -0.242 0.000 0.822 211 L CB 1.870 43.792 42.059 -0.228 0.000 1.256 211 L HN 0.447 nan 8.230 nan 0.000 0.413 212 L N 4.473 125.557 121.223 -0.231 0.000 2.319 212 L HA 0.452 4.793 4.340 0.001 0.000 0.280 212 L C -0.509 176.308 176.870 -0.088 0.000 1.099 212 L CA -0.517 54.158 54.840 -0.276 0.000 0.828 212 L CB 1.033 42.681 42.059 -0.686 0.000 1.150 212 L HN 0.270 nan 8.230 nan 0.000 0.442 213 V N 2.150 122.063 119.914 -0.000 0.000 2.531 213 V HA 0.500 4.621 4.120 0.001 0.000 0.301 213 V C 0.292 176.475 176.094 0.148 0.000 1.034 213 V CA -0.475 61.909 62.300 0.140 0.000 0.865 213 V CB 2.070 33.990 31.823 0.161 0.000 0.995 213 V HN 0.929 nan 8.190 nan 0.000 0.424 214 T N 1.674 116.345 114.554 0.195 0.000 2.905 214 T HA 0.479 4.829 4.350 0.001 0.000 0.283 214 T C 1.022 175.798 174.700 0.128 0.000 1.031 214 T CA -0.715 61.495 62.100 0.183 0.000 1.002 214 T CB 1.619 70.631 68.868 0.239 0.000 1.200 214 T HN 0.437 nan 8.240 nan 0.000 0.560 215 R N 0.058 120.620 120.500 0.103 0.000 2.127 215 R HA -0.100 4.241 4.340 0.001 0.000 0.238 215 R C 2.397 178.738 176.300 0.068 0.000 1.134 215 R CA 1.817 57.955 56.100 0.064 0.000 0.975 215 R CB -0.328 30.016 30.300 0.074 0.000 0.865 215 R HN 0.871 nan 8.270 nan 0.000 0.447 216 E N 0.260 120.513 120.200 0.088 0.000 2.031 216 E HA -0.166 4.185 4.350 0.001 0.000 0.193 216 E C 1.447 178.098 176.600 0.085 0.000 0.994 216 E CA 1.943 58.389 56.400 0.078 0.000 0.800 216 E CB 0.068 29.814 29.700 0.078 0.000 0.752 216 E HN 0.231 nan 8.360 nan 0.000 0.447 217 T N 1.309 115.940 114.554 0.128 0.000 2.699 217 T HA -0.194 4.157 4.350 0.001 0.000 0.268 217 T C 1.920 176.713 174.700 0.154 0.000 1.036 217 T CA 1.711 63.896 62.100 0.141 0.000 1.147 217 T CB -0.315 68.710 68.868 0.262 0.000 0.862 217 T HN 0.216 nan 8.240 nan 0.000 0.446 218 I N 1.378 122.082 120.570 0.222 0.000 2.315 218 I HA -0.087 4.084 4.170 0.001 0.000 0.248 218 I C 2.958 179.137 176.117 0.103 0.000 1.117 218 I CA 0.967 62.387 61.300 0.201 0.000 1.404 218 I CB -0.491 37.406 38.000 -0.172 0.000 1.071 218 I HN 0.204 nan 8.210 nan 0.000 0.419 219 A N 0.951 123.808 122.820 0.061 0.000 1.969 219 A HA -0.143 4.177 4.320 0.001 0.000 0.218 219 A C 1.712 179.317 177.584 0.036 0.000 1.169 219 A CA 1.523 53.590 52.037 0.049 0.000 0.635 219 A CB -0.531 18.495 19.000 0.043 0.000 0.810 219 A HN 0.401 nan 8.150 nan 0.000 0.445 220 N N 0.868 119.579 118.700 0.018 0.000 2.434 220 N HA 0.052 4.792 4.740 0.001 0.000 0.196 220 N C -0.365 175.122 175.510 -0.038 0.000 1.183 220 N CA 0.186 53.230 53.050 -0.010 0.000 0.849 220 N CB -0.161 38.316 38.487 -0.017 0.000 0.992 220 N HN 0.462 nan 8.380 nan 0.000 0.460 221 N N 0.358 119.049 118.700 -0.016 0.000 2.381 221 N HA 0.232 4.972 4.740 0.001 0.000 0.294 221 N C -0.289 175.265 175.510 0.073 0.000 1.216 221 N CA -0.512 52.534 53.050 -0.006 0.000 0.803 221 N CB 2.041 40.480 38.487 -0.080 0.000 1.372 221 N HN -0.127 nan 8.380 nan 0.000 0.500 222 K N 1.078 121.536 120.400 0.096 0.000 2.414 222 K HA 0.039 4.359 4.320 0.001 0.000 0.272 222 K C 1.123 177.805 176.600 0.137 0.000 0.993 222 K CA -0.127 56.221 56.287 0.102 0.000 0.964 222 K CB 0.827 33.386 32.500 0.098 0.000 0.925 222 K HN 0.259 nan 8.250 nan 0.000 0.487 223 K N 1.736 122.203 120.400 0.111 0.000 2.280 223 K HA -0.140 4.181 4.320 0.001 0.000 0.202 223 K C 0.750 177.425 176.600 0.126 0.000 1.047 223 K CA 1.396 57.756 56.287 0.121 0.000 0.942 223 K CB -0.117 32.436 32.500 0.089 0.000 0.739 223 K HN 0.673 nan 8.250 nan 0.000 0.457 224 D N -1.110 119.354 120.400 0.107 0.000 2.388 224 D HA 0.088 4.729 4.640 0.001 0.000 0.221 224 D C 0.999 177.364 176.300 0.108 0.000 1.133 224 D CA 0.029 54.077 54.000 0.079 0.000 0.831 224 D CB 0.263 41.091 40.800 0.048 0.000 0.962 224 D HN -0.038 nan 8.370 nan 0.000 0.502 225 A N -0.490 122.449 122.820 0.198 0.000 2.195 225 A HA 0.165 4.485 4.320 0.001 0.000 0.210 225 A C -0.049 177.775 177.584 0.399 0.000 1.165 225 A CA -0.042 52.176 52.037 0.301 0.000 0.806 225 A CB -0.214 19.005 19.000 0.364 0.000 0.847 225 A HN 0.338 nan 8.150 nan 0.000 0.482 226 Y N 1.127 121.497 120.300 0.118 0.000 2.317 226 Y HA 0.448 4.998 4.550 0.001 0.000 0.325 226 Y C -0.968 174.836 175.900 -0.160 0.000 1.066 226 Y CA -0.802 57.228 58.100 -0.118 0.000 1.203 226 Y CB 0.777 39.223 38.460 -0.022 0.000 1.127 226 Y HN 0.385 nan 8.280 nan 0.000 0.451 227 Q N 5.941 125.463 119.800 -0.463 0.000 2.397 227 Q HA 0.555 4.896 4.340 0.001 0.000 0.275 227 Q C -1.395 174.248 176.000 -0.595 0.000 1.090 227 Q CA -1.303 54.271 55.803 -0.383 0.000 0.809 227 Q CB 2.876 31.480 28.738 -0.225 0.000 1.362 227 Q HN 0.490 nan 8.270 nan 0.000 0.431 228 I N 3.528 123.804 120.570 -0.489 0.000 2.291 228 I HA 0.091 4.261 4.170 0.001 0.000 0.290 228 I C 0.987 176.845 176.117 -0.431 0.000 1.050 228 I CA -0.184 60.760 61.300 -0.593 0.000 1.245 228 I CB 0.474 37.945 38.000 -0.882 0.000 1.405 228 I HN 0.782 nan 8.210 nan 0.000 0.478 229 L N 5.129 126.073 121.223 -0.464 0.000 2.240 229 L HA 0.176 4.517 4.340 0.001 0.000 0.211 229 L C 1.133 177.880 176.870 -0.205 0.000 1.106 229 L CA 0.420 55.041 54.840 -0.365 0.000 0.793 229 L CB -0.195 41.499 42.059 -0.609 0.000 0.927 229 L HN 0.764 nan 8.230 nan 0.000 0.446 230 G N -0.537 108.146 108.800 -0.195 0.000 2.451 230 G HA2 0.395 4.356 3.960 0.001 0.000 0.292 230 G HA3 0.395 4.356 3.960 0.001 0.000 0.292 230 G C -1.910 172.918 174.900 -0.120 0.000 1.427 230 G CA -0.423 44.617 45.100 -0.101 0.000 0.792 230 G HN -0.127 nan 8.290 nan 0.000 0.498 231 E N 0.512 120.676 120.200 -0.060 0.000 2.316 231 E HA 0.592 4.943 4.350 0.001 0.000 0.254 231 E C -2.549 174.016 176.600 -0.058 0.000 0.902 231 E CA -1.502 54.876 56.400 -0.038 0.000 0.801 231 E CB 1.705 31.463 29.700 0.096 0.000 1.270 231 E HN 0.286 nan 8.360 nan 0.000 0.414 232 P HA 0.028 nan 4.420 nan 0.000 0.264 232 P C -0.804 176.497 177.300 0.001 0.000 1.193 232 P CA 0.111 63.146 63.100 -0.108 0.000 0.763 232 P CB 0.547 32.112 31.700 -0.224 0.000 0.810 233 E N 3.304 123.515 120.200 0.018 0.000 2.129 233 E HA 0.165 4.516 4.350 0.001 0.000 0.283 233 E C 0.060 176.698 176.600 0.064 0.000 1.080 233 E CA -0.153 56.271 56.400 0.040 0.000 0.867 233 E CB 0.471 30.190 29.700 0.031 0.000 1.056 233 E HN 0.418 nan 8.360 nan 0.000 0.404 234 L N 1.515 122.782 121.223 0.074 0.000 2.375 234 L HA 0.213 4.554 4.340 0.001 0.000 0.271 234 L C 1.646 178.541 176.870 0.043 0.000 1.107 234 L CA -0.397 54.495 54.840 0.087 0.000 0.806 234 L CB 1.025 43.146 42.059 0.103 0.000 1.146 234 L HN 0.531 nan 8.230 nan 0.000 0.447 235 A N 2.634 125.470 122.820 0.027 0.000 1.865 235 A HA 0.057 4.378 4.320 0.001 0.000 0.217 235 A C 0.982 178.549 177.584 -0.029 0.000 1.191 235 A CA 1.714 53.747 52.037 -0.006 0.000 0.623 235 A CB -0.544 18.443 19.000 -0.022 0.000 0.826 235 A HN 0.835 nan 8.150 nan 0.000 0.444 236 G N -4.806 103.973 108.800 -0.036 0.000 2.818 236 G HA2 0.488 4.449 3.960 0.001 0.000 0.286 236 G HA3 0.488 4.449 3.960 0.001 0.000 0.286 236 G C -0.561 174.333 174.900 -0.011 0.000 1.364 236 G CA -0.100 44.943 45.100 -0.095 0.000 0.938 236 G HN 0.490 nan 8.290 nan 0.000 0.490 237 H N -0.757 118.264 119.070 -0.081 0.000 2.750 237 H HA -0.165 4.392 4.556 0.001 0.000 0.327 237 H C 1.513 176.806 175.328 -0.058 0.000 1.199 237 H CA 1.002 57.018 56.048 -0.053 0.000 1.149 237 H CB -1.316 28.430 29.762 -0.027 0.000 1.543 237 H HN 0.693 nan 8.280 nan 0.000 0.427 238 I N -2.001 118.542 120.570 -0.044 0.000 3.176 238 I HA -0.054 4.116 4.170 0.001 0.000 0.275 238 I C 1.886 177.976 176.117 -0.044 0.000 1.298 238 I CA 1.492 62.772 61.300 -0.034 0.000 1.445 238 I CB 0.050 38.023 38.000 -0.044 0.000 1.075 238 I HN 0.267 nan 8.210 nan 0.000 0.482 239 T N -2.826 111.675 114.554 -0.088 0.000 3.134 239 T HA 0.161 4.512 4.350 0.001 0.000 0.260 239 T C 0.698 175.496 174.700 0.163 0.000 1.027 239 T CA -0.118 61.964 62.100 -0.031 0.000 0.913 239 T CB -0.285 68.422 68.868 -0.268 0.000 1.046 239 T HN 0.309 nan 8.240 nan 0.000 0.553 240 T N 1.266 115.860 114.554 0.067 0.000 2.862 240 T HA 0.587 4.937 4.350 0.001 0.000 0.276 240 T C -0.661 173.849 174.700 -0.317 0.000 0.974 240 T CA -0.458 61.596 62.100 -0.076 0.000 0.966 240 T CB 1.358 70.224 68.868 -0.004 0.000 1.072 240 T HN 0.315 nan 8.240 nan 0.000 0.538 241 S N 0.066 115.352 115.700 -0.690 0.000 2.594 241 S HA 0.683 5.153 4.470 0.001 0.000 0.296 241 S C -0.374 174.024 174.600 -0.336 0.000 1.124 241 S CA -0.236 57.621 58.200 -0.572 0.000 1.011 241 S CB 0.994 63.577 63.200 -1.029 0.000 1.016 241 S HN 1.074 nan 8.310 nan 0.000 0.485 242 G N 5.058 113.770 108.800 -0.147 0.000 4.079 242 G HA2 0.413 4.374 3.960 0.001 0.000 0.271 242 G HA3 0.413 4.374 3.960 0.001 0.000 0.271 242 G C -3.182 171.652 174.900 -0.110 0.000 1.144 242 G CA -0.869 44.189 45.100 -0.069 0.000 0.700 242 G HN 0.552 nan 8.290 nan 0.000 0.500 243 P HA 0.116 nan 4.420 nan 0.000 0.275 243 P C -0.588 176.570 177.300 -0.237 0.000 1.266 243 P CA -0.324 62.644 63.100 -0.219 0.000 0.793 243 P CB 0.891 32.396 31.700 -0.326 0.000 1.074 244 H N -0.340 118.499 119.070 -0.386 0.000 2.723 244 H HA 0.277 4.834 4.556 0.001 0.000 0.294 244 H C -0.711 174.358 175.328 -0.432 0.000 1.079 244 H CA -0.280 55.537 56.048 -0.385 0.000 1.411 244 H CB 0.111 29.666 29.762 -0.346 0.000 1.439 244 H HN 0.199 nan 8.280 nan 0.000 0.474 245 T N 6.682 121.008 114.554 -0.380 0.000 2.786 245 T HA 0.218 4.569 4.350 0.001 0.000 0.283 245 T C -0.170 174.115 174.700 -0.691 0.000 0.992 245 T CA -0.722 60.968 62.100 -0.683 0.000 0.954 245 T CB 1.167 69.570 68.868 -0.775 0.000 0.934 245 T HN 0.583 nan 8.240 nan 0.000 0.440 246 R N 2.851 122.902 120.500 -0.749 0.000 2.255 246 R HA 0.470 4.810 4.340 0.001 0.000 0.326 246 R C -1.319 174.630 176.300 -0.585 0.000 0.986 246 R CA -0.606 55.174 56.100 -0.533 0.000 0.847 246 R CB 0.418 30.490 30.300 -0.380 0.000 1.111 246 R HN 0.435 nan 8.270 nan 0.000 0.452 247 F N 2.558 122.401 119.950 -0.179 0.000 2.391 247 F HA 0.278 4.806 4.527 0.001 0.000 0.359 247 F C 0.146 175.946 175.800 0.001 0.000 1.122 247 F CA -0.241 57.712 58.000 -0.078 0.000 1.120 247 F CB 2.109 41.065 39.000 -0.073 0.000 1.142 247 F HN 0.311 nan 8.300 nan 0.000 0.483 248 T N 3.610 118.291 114.554 0.211 0.000 2.864 248 T HA 0.244 4.595 4.350 0.001 0.000 0.310 248 T C -0.514 174.290 174.700 0.174 0.000 1.040 248 T CA -0.807 61.382 62.100 0.148 0.000 0.977 248 T CB 0.884 69.800 68.868 0.080 0.000 0.976 248 T HN 0.483 nan 8.240 nan 0.000 0.459 249 E N 1.189 121.462 120.200 0.123 0.000 2.252 249 E HA -0.203 4.147 4.350 0.001 0.000 0.218 249 E C -0.713 175.898 176.600 0.017 0.000 1.253 249 E CA 0.346 56.761 56.400 0.023 0.000 0.705 249 E CB -1.248 28.471 29.700 0.031 0.000 1.172 249 E HN 0.735 nan 8.360 nan 0.000 0.369 250 F N 2.057 121.994 119.950 -0.021 0.000 2.404 250 F HA 0.187 4.715 4.527 0.001 0.000 0.358 250 F C 0.872 176.643 175.800 -0.048 0.000 1.120 250 F CA -0.550 57.494 58.000 0.074 0.000 1.144 250 F CB 0.537 39.714 39.000 0.295 0.000 1.133 250 F HN 0.005 nan 8.300 nan 0.000 0.495 251 H N 5.603 124.454 119.070 -0.366 0.000 2.580 251 H HA 0.481 5.038 4.556 0.001 0.000 0.322 251 H C -0.727 174.443 175.328 -0.265 0.000 1.082 251 H CA -0.302 55.618 56.048 -0.214 0.000 1.383 251 H CB 1.649 31.314 29.762 -0.163 0.000 1.450 251 H HN 0.358 nan 8.280 nan 0.000 0.505 252 V N 6.149 126.131 119.914 0.113 0.000 2.623 252 V HA 0.195 4.315 4.120 0.001 0.000 0.304 252 V C -2.254 173.972 176.094 0.220 0.000 1.054 252 V CA -1.967 60.426 62.300 0.155 0.000 0.882 252 V CB 2.130 34.083 31.823 0.217 0.000 1.002 252 V HN 0.625 nan 8.190 nan 0.000 0.424 253 P HA 0.053 nan 4.420 nan 0.000 0.266 253 P C 0.529 178.001 177.300 0.286 0.000 1.195 253 P CA 0.233 63.454 63.100 0.201 0.000 0.768 253 P CB 0.450 32.244 31.700 0.157 0.000 0.838 254 H N 2.998 122.209 119.070 0.235 0.000 2.489 254 H HA -0.154 4.402 4.556 0.001 0.000 0.293 254 H C 1.609 177.076 175.328 0.232 0.000 1.066 254 H CA 1.716 57.960 56.048 0.326 0.000 1.305 254 H CB 0.164 30.061 29.762 0.225 0.000 1.386 254 H HN 0.444 nan 8.280 nan 0.000 0.551 255 E N -0.120 120.179 120.200 0.165 0.000 2.347 255 E HA -0.153 4.198 4.350 0.001 0.000 0.196 255 E C 0.885 177.542 176.600 0.095 0.000 1.008 255 E CA 0.877 57.340 56.400 0.106 0.000 0.852 255 E CB -0.398 29.387 29.700 0.142 0.000 0.783 255 E HN 0.654 nan 8.360 nan 0.000 0.505 256 N N 0.694 119.455 118.700 0.102 0.000 2.515 256 N HA 0.031 4.771 4.740 0.001 0.000 0.191 256 N C -0.101 175.332 175.510 -0.128 0.000 1.182 256 N CA -0.326 52.749 53.050 0.041 0.000 0.879 256 N CB 0.074 38.612 38.487 0.086 0.000 0.984 256 N HN 0.075 nan 8.380 nan 0.000 0.453 257 L N 1.785 122.898 121.223 -0.184 0.000 2.313 257 L HA 0.078 4.419 4.340 0.001 0.000 0.282 257 L C 0.979 177.713 176.870 -0.226 0.000 1.092 257 L CA 0.065 54.720 54.840 -0.308 0.000 0.831 257 L CB 0.876 42.668 42.059 -0.446 0.000 1.159 257 L HN 0.001 nan 8.230 nan 0.000 0.442 258 L N 6.329 127.415 121.223 -0.228 0.000 2.141 258 L HA 0.072 4.413 4.340 0.001 0.000 0.209 258 L C 0.635 177.432 176.870 -0.122 0.000 1.094 258 L CA 1.517 56.253 54.840 -0.174 0.000 0.763 258 L CB -0.108 41.839 42.059 -0.187 0.000 0.908 258 L HN 0.925 nan 8.230 nan 0.000 0.437 259 C N -5.446 113.777 119.300 -0.128 0.000 3.253 259 C HA 0.433 4.894 4.460 0.001 0.000 0.362 259 C C 0.171 175.117 174.990 -0.073 0.000 1.487 259 C CA -0.622 58.347 59.018 -0.081 0.000 1.179 259 C CB 0.399 28.097 27.740 -0.070 0.000 1.660 259 C HN 0.145 nan 8.230 nan 0.000 0.438 260 T N 3.319 117.855 114.554 -0.030 0.000 2.829 260 T HA 0.361 4.712 4.350 0.001 0.000 0.293 260 T C -2.359 172.327 174.700 -0.025 0.000 0.970 260 T CA 0.471 62.572 62.100 0.001 0.000 1.168 260 T CB -0.252 68.627 68.868 0.018 0.000 0.911 260 T HN 0.686 nan 8.240 nan 0.000 0.535 261 P HA 0.321 nan 4.420 nan 0.000 0.267 261 P C 0.875 178.170 177.300 -0.008 0.000 1.201 261 P CA 0.821 63.896 63.100 -0.042 0.000 0.775 261 P CB 0.285 31.974 31.700 -0.018 0.000 0.854 262 G N 0.452 109.244 108.800 -0.013 0.000 2.408 262 G HA2 -0.198 3.763 3.960 0.001 0.000 0.204 262 G HA3 -0.198 3.763 3.960 0.001 0.000 0.204 262 G C 0.515 175.402 174.900 -0.022 0.000 1.186 262 G CA -0.279 44.815 45.100 -0.011 0.000 1.139 262 G HN 0.422 nan 8.290 nan 0.000 0.563 263 L N 0.657 121.864 121.223 -0.026 0.000 2.353 263 L HA 0.032 4.373 4.340 0.001 0.000 0.220 263 L C 2.802 179.649 176.870 -0.039 0.000 1.133 263 L CA 1.849 56.668 54.840 -0.036 0.000 0.798 263 L CB -0.284 41.755 42.059 -0.033 0.000 0.922 263 L HN 0.581 nan 8.230 nan 0.000 0.445 264 K N 0.047 120.426 120.400 -0.036 0.000 2.128 264 K HA -0.003 4.318 4.320 0.001 0.000 0.202 264 K C 2.219 178.790 176.600 -0.049 0.000 1.050 264 K CA 0.856 57.114 56.287 -0.048 0.000 0.966 264 K CB 0.078 32.553 32.500 -0.040 0.000 0.759 264 K HN 0.209 nan 8.250 nan 0.000 0.454 265 A N 1.077 123.877 122.820 -0.034 0.000 1.930 265 A HA -0.163 4.158 4.320 0.001 0.000 0.217 265 A C 2.089 179.693 177.584 0.032 0.000 1.175 265 A CA 1.077 53.100 52.037 -0.022 0.000 0.627 265 A CB -0.487 18.494 19.000 -0.032 0.000 0.815 265 A HN 0.302 nan 8.150 nan 0.000 0.443 266 Q N 0.076 119.906 119.800 0.051 0.000 2.096 266 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 266 Q C 2.129 178.175 176.000 0.076 0.000 0.982 266 Q CA 2.080 57.954 55.803 0.117 0.000 0.850 266 Q CB -0.884 27.860 28.738 0.011 0.000 0.901 266 Q HN 0.562 nan 8.270 nan 0.000 0.422 267 G N 1.159 109.947 108.800 -0.020 0.000 2.469 267 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 267 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 267 G C 1.628 176.451 174.900 -0.129 0.000 1.150 267 G CA 0.850 45.885 45.100 -0.109 0.000 0.763 267 G HN 0.358 nan 8.290 nan 0.000 0.561 268 L N 0.059 121.231 121.223 -0.084 0.000 2.056 268 L HA -0.086 4.255 4.340 0.001 0.000 0.207 268 L C 3.034 179.873 176.870 -0.052 0.000 1.078 268 L CA 0.610 55.395 54.840 -0.092 0.000 0.749 268 L CB -0.434 41.575 42.059 -0.083 0.000 0.901 268 L HN 0.125 nan 8.230 nan 0.000 0.433 269 V N -0.229 119.701 119.914 0.028 0.000 2.307 269 V HA -0.284 3.836 4.120 0.001 0.000 0.245 269 V C 2.425 178.620 176.094 0.169 0.000 1.045 269 V CA 1.924 64.275 62.300 0.085 0.000 1.024 269 V CB -0.492 31.417 31.823 0.143 0.000 0.651 269 V HN 0.494 nan 8.190 nan 0.000 0.449 270 E N 0.293 120.600 120.200 0.179 0.000 2.038 270 E HA -0.251 4.099 4.350 0.001 0.000 0.195 270 E C 2.231 178.962 176.600 0.217 0.000 1.000 270 E CA 2.162 58.698 56.400 0.227 0.000 0.803 270 E CB -0.202 29.625 29.700 0.212 0.000 0.750 270 E HN 0.627 nan 8.360 nan 0.000 0.448 271 T N 0.802 115.360 114.554 0.007 0.000 2.684 271 T HA -0.183 4.168 4.350 0.001 0.000 0.267 271 T C 1.877 176.610 174.700 0.055 0.000 1.036 271 T CA 1.458 63.517 62.100 -0.068 0.000 1.148 271 T CB -0.420 68.216 68.868 -0.386 0.000 0.863 271 T HN 0.371 nan 8.240 nan 0.000 0.436 272 A N 0.847 123.645 122.820 -0.036 0.000 1.883 272 A HA -0.032 4.289 4.320 0.001 0.000 0.217 272 A C 2.036 179.535 177.584 -0.143 0.000 1.186 272 A CA 1.440 53.396 52.037 -0.135 0.000 0.624 272 A CB -1.100 17.743 19.000 -0.262 0.000 0.822 272 A HN 0.506 nan 8.150 nan 0.000 0.444 273 F N -0.149 119.767 119.950 -0.057 0.000 2.293 273 F HA -0.021 4.507 4.527 0.001 0.000 0.300 273 F C 2.666 178.455 175.800 -0.018 0.000 1.086 273 F CA 0.765 58.716 58.000 -0.082 0.000 1.375 273 F CB -0.002 38.914 39.000 -0.140 0.000 1.045 273 F HN 0.279 nan 8.300 nan 0.000 0.516 274 A N -0.350 122.617 122.820 0.245 0.000 1.968 274 A HA -0.138 4.182 4.320 0.001 0.000 0.217 274 A C 2.137 179.803 177.584 0.137 0.000 1.169 274 A CA 1.186 53.350 52.037 0.212 0.000 0.638 274 A CB -0.534 18.687 19.000 0.368 0.000 0.812 274 A HN 0.338 nan 8.150 nan 0.000 0.446 275 M N -0.679 118.997 119.600 0.127 0.000 2.200 275 M HA -0.035 4.445 4.480 0.001 0.000 0.265 275 M C 2.508 178.814 176.300 0.010 0.000 1.066 275 M CA 1.161 56.500 55.300 0.065 0.000 1.127 275 M CB -0.317 32.309 32.600 0.043 0.000 1.379 275 M HN 0.443 nan 8.290 nan 0.000 0.420 276 A N 0.693 123.495 122.820 -0.029 0.000 1.940 276 A HA -0.091 4.230 4.320 0.001 0.000 0.219 276 A C 2.382 179.945 177.584 -0.035 0.000 1.176 276 A CA 1.944 53.939 52.037 -0.069 0.000 0.631 276 A CB -0.941 17.973 19.000 -0.144 0.000 0.814 276 A HN 0.487 nan 8.150 nan 0.000 0.446 277 A N -0.204 122.624 122.820 0.013 0.000 1.908 277 A HA 0.104 4.425 4.320 0.001 0.000 0.218 277 A C 2.476 180.066 177.584 0.010 0.000 1.181 277 A CA 2.249 54.294 52.037 0.012 0.000 0.627 277 A CB -0.919 18.100 19.000 0.031 0.000 0.818 277 A HN 1.069 nan 8.150 nan 0.000 0.445 278 A N -0.803 122.028 122.820 0.018 0.000 1.929 278 A HA 0.145 4.466 4.320 0.001 0.000 0.216 278 A C 2.084 179.686 177.584 0.030 0.000 1.176 278 A CA 1.295 53.350 52.037 0.029 0.000 0.628 278 A CB -0.407 18.615 19.000 0.037 0.000 0.816 278 A HN 0.444 nan 8.150 nan 0.000 0.444 279 L N -1.007 120.223 121.223 0.012 0.000 2.341 279 L HA -0.010 4.331 4.340 0.001 0.000 0.214 279 L C 2.306 179.152 176.870 -0.040 0.000 1.115 279 L CA 0.140 54.985 54.840 0.008 0.000 0.820 279 L CB -0.155 41.909 42.059 0.008 0.000 0.944 279 L HN 0.206 nan 8.230 nan 0.000 0.452 280 V N 0.612 120.488 119.914 -0.063 0.000 2.469 280 V HA -0.266 3.854 4.120 0.001 0.000 0.251 280 V C 2.554 178.544 176.094 -0.173 0.000 1.064 280 V CA 2.134 64.371 62.300 -0.106 0.000 1.066 280 V CB -0.879 30.919 31.823 -0.041 0.000 0.667 280 V HN 0.595 nan 8.190 nan 0.000 0.461 281 G N -0.641 108.107 108.800 -0.087 0.000 2.469 281 G HA2 -0.288 3.673 3.960 0.001 0.000 0.220 281 G HA3 -0.288 3.673 3.960 0.001 0.000 0.220 281 G C 1.741 176.580 174.900 -0.102 0.000 1.136 281 G CA 1.078 46.130 45.100 -0.080 0.000 0.759 281 G HN 0.655 nan 8.290 nan 0.000 0.562 282 A N 0.421 123.203 122.820 -0.062 0.000 1.933 282 A HA 0.062 4.383 4.320 0.001 0.000 0.218 282 A C 2.458 179.970 177.584 -0.121 0.000 1.175 282 A CA 1.779 53.804 52.037 -0.019 0.000 0.628 282 A CB -0.302 18.738 19.000 0.067 0.000 0.814 282 A HN 0.416 nan 8.150 nan 0.000 0.444 283 M N -0.581 118.812 119.600 -0.345 0.000 2.099 283 M HA -0.068 4.413 4.480 0.001 0.000 0.262 283 M C 2.549 178.451 176.300 -0.662 0.000 1.067 283 M CA 1.384 56.261 55.300 -0.707 0.000 1.124 283 M CB -0.404 31.498 32.600 -1.162 0.000 1.353 283 M HN 0.428 nan 8.290 nan 0.000 0.410 284 A N 0.831 123.184 122.820 -0.777 0.000 1.877 284 A HA -0.142 4.179 4.320 0.001 0.000 0.216 284 A C 2.119 179.622 177.584 -0.137 0.000 1.186 284 A CA 1.568 53.272 52.037 -0.555 0.000 0.620 284 A CB -0.992 17.798 19.000 -0.350 0.000 0.822 284 A HN 0.445 nan 8.150 nan 0.000 0.443 285 I N -0.208 120.298 120.570 -0.106 0.000 2.163 285 I HA -0.251 3.920 4.170 0.001 0.000 0.243 285 I C 2.735 178.877 176.117 0.041 0.000 1.085 285 I CA 1.218 62.505 61.300 -0.021 0.000 1.347 285 I CB -0.737 37.252 38.000 -0.018 0.000 1.044 285 I HN 0.405 nan 8.210 nan 0.000 0.408 286 G N 0.071 108.909 108.800 0.063 0.000 2.491 286 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 286 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 286 G C 1.661 176.666 174.900 0.175 0.000 1.180 286 G CA 1.640 46.833 45.100 0.155 0.000 0.774 286 G HN 0.293 nan 8.290 nan 0.000 0.562 287 T N 1.437 116.112 114.554 0.202 0.000 2.708 287 T HA 0.045 4.395 4.350 0.001 0.000 0.266 287 T C 2.811 177.610 174.700 0.166 0.000 1.037 287 T CA 1.655 63.893 62.100 0.231 0.000 1.146 287 T CB -0.395 68.708 68.868 0.392 0.000 0.865 287 T HN 0.376 nan 8.240 nan 0.000 0.435 288 A N 1.267 124.178 122.820 0.151 0.000 1.969 288 A HA -0.025 4.296 4.320 0.001 0.000 0.218 288 A C 2.271 179.953 177.584 0.164 0.000 1.169 288 A CA 1.396 53.515 52.037 0.137 0.000 0.635 288 A CB -0.508 18.546 19.000 0.090 0.000 0.810 288 A HN 0.381 nan 8.150 nan 0.000 0.445 289 R N -0.321 120.268 120.500 0.148 0.000 2.081 289 R HA -0.108 4.232 4.340 0.001 0.000 0.235 289 R C 2.284 178.708 176.300 0.207 0.000 1.131 289 R CA 1.341 57.562 56.100 0.202 0.000 0.960 289 R CB -0.361 30.029 30.300 0.151 0.000 0.856 289 R HN 0.447 nan 8.270 nan 0.000 0.436 290 A N 0.591 123.487 122.820 0.128 0.000 1.933 290 A HA -0.118 4.203 4.320 0.001 0.000 0.218 290 A C 2.289 179.875 177.584 0.004 0.000 1.175 290 A CA 1.704 53.770 52.037 0.049 0.000 0.628 290 A CB -0.623 18.390 19.000 0.020 0.000 0.814 290 A HN 0.532 nan 8.150 nan 0.000 0.444 291 A N -0.945 121.923 122.820 0.080 0.000 1.855 291 A HA 0.024 4.344 4.320 0.001 0.000 0.215 291 A C 2.042 179.798 177.584 0.287 0.000 1.191 291 A CA 1.528 53.661 52.037 0.162 0.000 0.613 291 A CB -0.806 18.359 19.000 0.274 0.000 0.829 291 A HN 0.764 nan 8.150 nan 0.000 0.442 292 F N 1.143 121.172 119.950 0.131 0.000 2.091 292 F HA -0.202 4.326 4.527 0.002 0.000 0.299 292 F C 2.083 177.947 175.800 0.106 0.000 1.103 292 F CA 2.371 60.440 58.000 0.115 0.000 1.228 292 F CB -0.344 38.699 39.000 0.072 0.000 0.984 292 F HN 0.378 nan 8.300 nan 0.000 0.477 293 E N -0.289 119.818 120.200 -0.154 0.000 2.107 293 E HA -0.219 4.132 4.350 0.001 0.000 0.191 293 E C 2.142 178.638 176.600 -0.173 0.000 0.982 293 E CA 1.086 57.313 56.400 -0.288 0.000 0.809 293 E CB -0.254 29.403 29.700 -0.072 0.000 0.756 293 E HN 0.600 nan 8.360 nan 0.000 0.459 294 E N 0.587 120.736 120.200 -0.086 0.000 2.110 294 E HA -0.181 4.170 4.350 0.001 0.000 0.193 294 E C 1.917 178.594 176.600 0.128 0.000 0.988 294 E CA 1.003 57.376 56.400 -0.045 0.000 0.804 294 E CB 0.007 29.550 29.700 -0.261 0.000 0.745 294 E HN 0.214 nan 8.360 nan 0.000 0.458 295 A N 0.666 123.605 122.820 0.198 0.000 1.929 295 A HA -0.100 4.221 4.320 0.001 0.000 0.216 295 A C 2.077 179.704 177.584 0.071 0.000 1.176 295 A CA 0.940 53.107 52.037 0.216 0.000 0.628 295 A CB -0.536 18.584 19.000 0.200 0.000 0.816 295 A HN 0.369 nan 8.150 nan 0.000 0.444 296 L N 0.005 121.128 121.223 -0.167 0.000 1.994 296 L HA -0.122 4.219 4.340 0.001 0.000 0.208 296 L C 2.394 179.199 176.870 -0.107 0.000 1.071 296 L CA 1.991 56.687 54.840 -0.241 0.000 0.745 296 L CB -0.546 41.161 42.059 -0.585 0.000 0.892 296 L HN 0.151 nan 8.230 nan 0.000 0.431 297 V N -0.592 119.274 119.914 -0.079 0.000 2.295 297 V HA -0.321 3.800 4.120 0.001 0.000 0.246 297 V C 2.321 178.420 176.094 0.009 0.000 1.049 297 V CA 2.199 64.475 62.300 -0.040 0.000 1.024 297 V CB -0.866 30.944 31.823 -0.022 0.000 0.648 297 V HN 0.547 nan 8.190 nan 0.000 0.447 298 F N 1.438 121.355 119.950 -0.054 0.000 2.102 298 F HA -0.159 4.369 4.527 0.000 0.000 0.298 298 F C 2.279 178.049 175.800 -0.051 0.000 1.105 298 F CA 1.557 59.540 58.000 -0.028 0.000 1.239 298 F CB -0.501 38.520 39.000 0.035 0.000 0.991 298 F HN 0.073 nan 8.300 nan 0.000 0.474 299 A N -0.180 122.671 122.820 0.051 0.000 2.019 299 A HA -0.177 4.143 4.320 0.001 0.000 0.219 299 A C 2.074 179.567 177.584 -0.152 0.000 1.164 299 A CA 1.640 53.656 52.037 -0.036 0.000 0.644 299 A CB -0.607 18.430 19.000 0.063 0.000 0.805 299 A HN 0.477 nan 8.150 nan 0.000 0.449 300 K N -0.177 120.104 120.400 -0.199 0.000 2.444 300 K HA 0.034 4.355 4.320 0.001 0.000 0.193 300 K C 1.324 177.499 176.600 -0.709 0.000 1.024 300 K CA 0.842 56.948 56.287 -0.303 0.000 1.077 300 K CB 0.179 32.572 32.500 -0.179 0.000 0.833 300 K HN 0.615 nan 8.250 nan 0.000 0.517 301 S N -1.391 113.916 115.700 -0.655 0.000 2.679 301 S HA 0.104 4.574 4.470 0.001 0.000 0.258 301 S C -0.099 174.232 174.600 -0.447 0.000 1.068 301 S CA -0.598 57.209 58.200 -0.654 0.000 1.115 301 S CB 0.567 63.577 63.200 -0.317 0.000 1.078 301 S HN 0.022 nan 8.310 nan 0.000 0.603 302 D N 1.856 121.975 120.400 -0.468 0.000 2.505 302 D HA 0.353 4.994 4.640 0.001 0.000 0.249 302 D C 0.374 176.577 176.300 -0.162 0.000 1.082 302 D CA 0.022 53.779 54.000 -0.405 0.000 0.839 302 D CB 2.466 42.645 40.800 -1.035 0.000 1.317 302 D HN 0.240 nan 8.370 nan 0.000 0.497 303 T N 0.236 114.774 114.554 -0.026 0.000 3.060 303 T HA 0.057 4.408 4.350 0.001 0.000 0.249 303 T C 0.878 175.600 174.700 0.037 0.000 1.079 303 T CA -0.226 61.891 62.100 0.029 0.000 1.013 303 T CB 0.125 69.001 68.868 0.013 0.000 0.975 303 T HN 0.491 nan 8.240 nan 0.000 0.518 304 R N 1.034 121.536 120.500 0.005 0.000 3.322 304 R HA -0.169 4.172 4.340 0.001 0.000 0.253 304 R C 1.183 177.512 176.300 0.048 0.000 0.987 304 R CA 0.741 56.872 56.100 0.052 0.000 0.666 304 R CB -2.637 27.719 30.300 0.093 0.000 1.072 304 R HN 1.131 nan 8.270 nan 0.000 0.447 305 G N -1.893 106.927 108.800 0.034 0.000 2.176 305 G HA2 -0.275 3.686 3.960 0.001 0.000 0.252 305 G HA3 -0.275 3.686 3.960 0.001 0.000 0.252 305 G C 0.503 175.419 174.900 0.026 0.000 1.024 305 G CA 0.719 45.835 45.100 0.027 0.000 0.755 305 G HN 0.881 nan 8.290 nan 0.000 0.507 306 G N -1.222 107.599 108.800 0.035 0.000 3.107 306 G HA2 0.737 4.697 3.960 0.001 0.000 0.232 306 G HA3 0.737 4.697 3.960 0.001 0.000 0.232 306 G C 1.097 176.003 174.900 0.011 0.000 1.339 306 G CA 0.723 45.848 45.100 0.041 0.000 1.033 306 G HN 1.199 nan 8.290 nan 0.000 0.567 307 S N -1.623 114.079 115.700 0.004 0.000 2.511 307 S HA 0.225 4.696 4.470 0.001 0.000 0.214 307 S C 0.607 175.148 174.600 -0.098 0.000 0.997 307 S CA 0.239 58.416 58.200 -0.039 0.000 0.908 307 S CB -0.181 63.003 63.200 -0.027 0.000 0.803 307 S HN 0.740 nan 8.310 nan 0.000 0.504 308 K N 0.320 120.657 120.400 -0.105 0.000 2.508 308 K HA 0.417 4.738 4.320 0.001 0.000 0.260 308 K C -1.420 175.081 176.600 -0.166 0.000 0.949 308 K CA -0.891 55.273 56.287 -0.207 0.000 0.834 308 K CB 0.684 33.061 32.500 -0.205 0.000 1.365 308 K HN -0.014 nan 8.250 nan 0.000 0.437 309 H N 2.268 121.259 119.070 -0.131 0.000 3.064 309 H HA -0.019 4.537 4.556 0.001 0.000 0.329 309 H C 1.382 176.603 175.328 -0.178 0.000 1.020 309 H CA 0.409 56.373 56.048 -0.141 0.000 1.402 309 H CB 0.511 30.198 29.762 -0.124 0.000 1.379 309 H HN 0.752 nan 8.280 nan 0.000 0.594 310 I N 0.410 120.996 120.570 0.026 0.000 2.700 310 I HA -0.134 4.037 4.170 0.001 0.000 0.261 310 I C 2.201 178.344 176.117 0.043 0.000 1.219 310 I CA 1.062 62.418 61.300 0.093 0.000 1.463 310 I CB -0.220 37.906 38.000 0.210 0.000 1.092 310 I HN 0.476 nan 8.210 nan 0.000 0.452 311 I N 1.460 122.037 120.570 0.011 0.000 2.657 311 I HA -0.255 3.916 4.170 0.001 0.000 0.261 311 I C 2.104 178.206 176.117 -0.026 0.000 1.212 311 I CA 1.384 62.693 61.300 0.016 0.000 1.453 311 I CB 0.018 38.025 38.000 0.012 0.000 1.092 311 I HN 0.289 nan 8.210 nan 0.000 0.452 312 E N -0.119 120.002 120.200 -0.132 0.000 2.418 312 E HA -0.072 4.278 4.350 0.001 0.000 0.197 312 E C 0.144 176.626 176.600 -0.196 0.000 1.026 312 E CA 0.340 56.628 56.400 -0.186 0.000 0.862 312 E CB 0.035 29.577 29.700 -0.264 0.000 0.799 312 E HN 0.454 nan 8.360 nan 0.000 0.518 313 H N 0.686 119.770 119.070 0.024 0.000 2.668 313 H HA 0.108 4.665 4.556 0.001 0.000 0.303 313 H C 0.809 176.151 175.328 0.023 0.000 1.074 313 H CA 0.051 56.111 56.048 0.020 0.000 1.406 313 H CB 1.142 30.916 29.762 0.021 0.000 1.442 313 H HN 0.203 nan 8.280 nan 0.000 0.482 314 Q N 1.908 121.787 119.800 0.133 0.000 2.152 314 Q HA -0.131 4.210 4.340 0.001 0.000 0.206 314 Q C 1.739 177.785 176.000 0.076 0.000 0.985 314 Q CA 1.656 57.507 55.803 0.080 0.000 0.863 314 Q CB 0.192 28.965 28.738 0.058 0.000 0.904 314 Q HN 0.518 nan 8.270 nan 0.000 0.422 315 S N -0.112 115.637 115.700 0.081 0.000 2.383 315 S HA -0.089 4.382 4.470 0.001 0.000 0.227 315 S C 2.078 176.718 174.600 0.068 0.000 1.026 315 S CA 0.901 59.135 58.200 0.057 0.000 0.981 315 S CB -0.026 63.194 63.200 0.033 0.000 0.818 315 S HN 0.155 nan 8.310 nan 0.000 0.472 316 V N 2.069 122.043 119.914 0.100 0.000 2.270 316 V HA -0.160 3.961 4.120 0.001 0.000 0.245 316 V C 2.687 178.839 176.094 0.096 0.000 1.043 316 V CA 1.675 64.038 62.300 0.105 0.000 1.014 316 V CB -1.276 30.636 31.823 0.147 0.000 0.645 316 V HN 0.521 nan 8.190 nan 0.000 0.447 317 A N 0.041 122.916 122.820 0.092 0.000 1.908 317 A HA -0.293 4.028 4.320 0.001 0.000 0.218 317 A C 1.978 179.610 177.584 0.079 0.000 1.181 317 A CA 2.172 54.258 52.037 0.082 0.000 0.627 317 A CB -0.755 18.284 19.000 0.064 0.000 0.818 317 A HN 0.545 nan 8.150 nan 0.000 0.445 318 D N -0.081 120.358 120.400 0.065 0.000 2.133 318 D HA -0.148 4.492 4.640 0.001 0.000 0.195 318 D C 1.924 178.259 176.300 0.058 0.000 0.997 318 D CA 1.267 55.299 54.000 0.053 0.000 0.840 318 D CB -0.166 40.659 40.800 0.041 0.000 0.947 318 D HN 0.322 nan 8.370 nan 0.000 0.452 319 K N 0.362 120.801 120.400 0.066 0.000 2.026 319 K HA -0.038 4.283 4.320 0.001 0.000 0.208 319 K C 2.425 179.092 176.600 0.111 0.000 1.048 319 K CA 0.381 56.711 56.287 0.072 0.000 0.929 319 K CB -0.554 31.984 32.500 0.064 0.000 0.713 319 K HN 0.269 nan 8.250 nan 0.000 0.439 320 L N 0.620 121.932 121.223 0.149 0.000 2.083 320 L HA -0.133 4.208 4.340 0.001 0.000 0.209 320 L C 2.472 179.468 176.870 0.211 0.000 1.083 320 L CA 0.877 55.873 54.840 0.260 0.000 0.752 320 L CB -0.448 41.764 42.059 0.256 0.000 0.899 320 L HN 0.092 nan 8.230 nan 0.000 0.433 321 I N -0.027 120.614 120.570 0.118 0.000 2.226 321 I HA -0.294 3.877 4.170 0.001 0.000 0.245 321 I C 2.063 178.184 176.117 0.007 0.000 1.100 321 I CA 1.273 62.607 61.300 0.057 0.000 1.374 321 I CB -0.307 37.719 38.000 0.043 0.000 1.057 321 I HN 0.261 nan 8.210 nan 0.000 0.413 322 D N 0.285 120.698 120.400 0.022 0.000 2.144 322 D HA -0.134 4.507 4.640 0.001 0.000 0.200 322 D C 2.281 178.562 176.300 -0.033 0.000 0.978 322 D CA 1.081 55.081 54.000 0.000 0.000 0.833 322 D CB -0.408 40.402 40.800 0.017 0.000 0.961 322 D HN 0.353 nan 8.370 nan 0.000 0.470 323 C N 0.755 120.044 119.300 -0.018 0.000 2.413 323 C HA -0.136 4.325 4.460 0.001 0.000 0.277 323 C C 2.550 177.343 174.990 -0.327 0.000 1.228 323 C CA 0.587 59.556 59.018 -0.081 0.000 1.731 323 C CB -0.627 27.180 27.740 0.110 0.000 2.042 323 C HN 0.239 nan 8.230 nan 0.000 0.468 324 K N 1.294 121.400 120.400 -0.490 0.000 2.020 324 K HA -0.109 4.211 4.320 0.001 0.000 0.212 324 K C 1.606 178.015 176.600 -0.319 0.000 1.050 324 K CA 1.729 57.636 56.287 -0.633 0.000 0.929 324 K CB -0.821 31.447 32.500 -0.387 0.000 0.714 324 K HN 0.534 nan 8.250 nan 0.000 0.443 325 I N 0.198 120.662 120.570 -0.177 0.000 2.208 325 I HA -0.321 3.849 4.170 0.001 0.000 0.245 325 I C 2.423 178.503 176.117 -0.063 0.000 1.097 325 I CA 1.423 62.664 61.300 -0.098 0.000 1.363 325 I CB -0.206 37.766 38.000 -0.046 0.000 1.051 325 I HN 0.192 nan 8.210 nan 0.000 0.413 326 R N 0.408 120.868 120.500 -0.067 0.000 2.081 326 R HA -0.143 4.198 4.340 0.001 0.000 0.235 326 R C 2.310 178.578 176.300 -0.053 0.000 1.131 326 R CA 1.302 57.380 56.100 -0.035 0.000 0.960 326 R CB -0.366 29.883 30.300 -0.086 0.000 0.856 326 R HN 0.327 nan 8.270 nan 0.000 0.436 327 L N 0.115 121.255 121.223 -0.137 0.000 2.093 327 L HA -0.155 4.186 4.340 0.001 0.000 0.208 327 L C 2.476 179.263 176.870 -0.138 0.000 1.085 327 L CA 1.088 55.843 54.840 -0.143 0.000 0.755 327 L CB -0.260 41.666 42.059 -0.222 0.000 0.904 327 L HN 0.118 nan 8.230 nan 0.000 0.435 328 E N 0.073 120.178 120.200 -0.158 0.000 2.046 328 E HA -0.175 4.176 4.350 0.001 0.000 0.190 328 E C 2.181 178.696 176.600 -0.141 0.000 0.982 328 E CA 1.930 58.227 56.400 -0.172 0.000 0.800 328 E CB -0.176 29.423 29.700 -0.168 0.000 0.756 328 E HN 0.492 nan 8.360 nan 0.000 0.449 329 T N -2.180 112.338 114.554 -0.061 0.000 2.821 329 T HA -0.051 4.300 4.350 0.001 0.000 0.267 329 T C 2.182 176.905 174.700 0.038 0.000 1.046 329 T CA 1.290 63.374 62.100 -0.027 0.000 1.139 329 T CB -0.487 68.398 68.868 0.029 0.000 0.871 329 T HN -0.020 nan 8.240 nan 0.000 0.454 330 S N 1.243 117.024 115.700 0.135 0.000 2.353 330 S HA -0.084 4.386 4.470 0.001 0.000 0.222 330 S C 2.158 176.741 174.600 -0.030 0.000 1.035 330 S CA 1.360 59.637 58.200 0.128 0.000 1.025 330 S CB -0.412 62.819 63.200 0.052 0.000 0.902 330 S HN 0.551 nan 8.310 nan 0.000 0.440 331 R N 0.427 120.831 120.500 -0.160 0.000 2.070 331 R HA -0.087 4.254 4.340 0.001 0.000 0.233 331 R C 2.074 178.087 176.300 -0.478 0.000 1.137 331 R CA 1.209 57.088 56.100 -0.368 0.000 0.945 331 R CB -0.469 29.512 30.300 -0.532 0.000 0.845 331 R HN 0.233 nan 8.270 nan 0.000 0.430 332 L N 0.904 121.912 121.223 -0.358 0.000 2.021 332 L HA -0.234 4.106 4.340 0.001 0.000 0.215 332 L C 2.339 179.194 176.870 -0.025 0.000 1.074 332 L CA 1.482 56.219 54.840 -0.172 0.000 0.760 332 L CB -1.066 40.922 42.059 -0.117 0.000 0.889 332 L HN 0.290 nan 8.230 nan 0.000 0.433 333 L N -1.343 119.860 121.223 -0.033 0.000 2.056 333 L HA -0.140 4.200 4.340 0.001 0.000 0.207 333 L C 2.423 179.338 176.870 0.074 0.000 1.078 333 L CA 1.293 56.143 54.840 0.017 0.000 0.749 333 L CB -0.424 41.635 42.059 -0.001 0.000 0.901 333 L HN 0.029 nan 8.230 nan 0.000 0.433 334 V N -1.458 118.507 119.914 0.085 0.000 2.295 334 V HA -0.287 3.834 4.120 0.001 0.000 0.246 334 V C 2.245 178.524 176.094 0.309 0.000 1.049 334 V CA 1.947 64.349 62.300 0.169 0.000 1.024 334 V CB -0.908 31.023 31.823 0.180 0.000 0.648 334 V HN 0.531 nan 8.190 nan 0.000 0.447 335 W N 0.614 121.939 121.300 0.041 0.000 2.358 335 W HA -0.110 4.550 4.660 0.001 0.000 0.303 335 W C 2.529 179.059 176.519 0.018 0.000 1.208 335 W CA 1.382 58.749 57.345 0.037 0.000 1.274 335 W CB -1.015 28.483 29.460 0.064 0.000 1.138 335 W HN 0.202 nan 8.180 nan 0.000 0.515 336 K N 0.795 121.343 120.400 0.246 0.000 2.057 336 K HA -0.096 4.224 4.320 0.001 0.000 0.207 336 K C 2.092 178.739 176.600 0.079 0.000 1.049 336 K CA 2.060 58.421 56.287 0.123 0.000 0.931 336 K CB -0.765 31.787 32.500 0.087 0.000 0.714 336 K HN -0.068 nan 8.250 nan 0.000 0.440 337 A N 0.410 123.282 122.820 0.086 0.000 1.873 337 A HA -0.095 4.226 4.320 0.001 0.000 0.215 337 A C 2.326 179.939 177.584 0.049 0.000 1.186 337 A CA 2.014 54.082 52.037 0.051 0.000 0.616 337 A CB -1.091 17.939 19.000 0.050 0.000 0.823 337 A HN 0.277 nan 8.150 nan 0.000 0.442 338 V N -2.636 117.324 119.914 0.076 0.000 2.427 338 V HA -0.157 3.963 4.120 0.001 0.000 0.248 338 V C 2.150 178.265 176.094 0.034 0.000 1.051 338 V CA 2.703 65.036 62.300 0.055 0.000 1.048 338 V CB -1.820 30.036 31.823 0.055 0.000 0.666 338 V HN 0.408 nan 8.190 nan 0.000 0.456 339 T N 0.717 115.291 114.554 0.033 0.000 2.788 339 T HA -0.143 4.208 4.350 0.001 0.000 0.268 339 T C 1.935 176.641 174.700 0.011 0.000 1.044 339 T CA 2.245 64.351 62.100 0.011 0.000 1.139 339 T CB -0.621 68.247 68.868 0.001 0.000 0.867 339 T HN 0.680 nan 8.240 nan 0.000 0.454 340 T N 2.406 116.968 114.554 0.014 0.000 2.746 340 T HA 0.052 4.403 4.350 0.001 0.000 0.267 340 T C 1.942 176.651 174.700 0.014 0.000 1.039 340 T CA 0.803 62.904 62.100 0.002 0.000 1.142 340 T CB -0.429 68.431 68.868 -0.014 0.000 0.866 340 T HN 0.261 nan 8.240 nan 0.000 0.444 341 L N 0.577 121.815 121.223 0.026 0.000 2.191 341 L HA -0.067 4.274 4.340 0.001 0.000 0.212 341 L C 2.441 179.357 176.870 0.076 0.000 1.103 341 L CA 1.294 56.173 54.840 0.066 0.000 0.769 341 L CB -0.412 41.694 42.059 0.078 0.000 0.908 341 L HN 0.332 nan 8.230 nan 0.000 0.438 342 E N -1.095 119.132 120.200 0.045 0.000 2.478 342 E HA -0.081 4.270 4.350 0.001 0.000 0.194 342 E C 0.213 176.831 176.600 0.030 0.000 1.045 342 E CA -0.133 56.288 56.400 0.034 0.000 0.868 342 E CB 0.186 29.895 29.700 0.015 0.000 0.885 342 E HN 0.205 nan 8.360 nan 0.000 0.505 343 D N 1.341 121.760 120.400 0.031 0.000 2.374 343 D HA 0.001 4.642 4.640 0.001 0.000 0.240 343 D C 0.296 176.619 176.300 0.039 0.000 1.229 343 D CA 0.145 54.160 54.000 0.025 0.000 0.895 343 D CB 0.697 41.506 40.800 0.015 0.000 1.046 343 D HN 0.013 nan 8.370 nan 0.000 0.498 344 E N 2.095 122.316 120.200 0.034 0.000 2.338 344 E HA -0.117 4.234 4.350 0.001 0.000 0.197 344 E C 1.550 178.174 176.600 0.039 0.000 1.007 344 E CA 0.589 57.013 56.400 0.040 0.000 0.849 344 E CB 0.190 29.907 29.700 0.028 0.000 0.774 344 E HN 0.530 nan 8.360 nan 0.000 0.506 345 A N 0.526 123.365 122.820 0.032 0.000 2.206 345 A HA 0.055 4.375 4.320 0.001 0.000 0.211 345 A C 0.776 178.380 177.584 0.035 0.000 1.158 345 A CA 0.304 52.358 52.037 0.030 0.000 0.761 345 A CB -0.015 18.998 19.000 0.022 0.000 0.801 345 A HN 0.076 nan 8.150 nan 0.000 0.473 346 L N 0.639 121.887 121.223 0.042 0.000 2.309 346 L HA 0.288 4.629 4.340 0.001 0.000 0.282 346 L C -0.016 176.894 176.870 0.067 0.000 1.036 346 L CA -0.720 54.144 54.840 0.040 0.000 0.806 346 L CB 1.454 43.526 42.059 0.022 0.000 1.220 346 L HN 0.251 nan 8.230 nan 0.000 0.429 347 E N 1.962 122.197 120.200 0.059 0.000 2.437 347 E HA -0.160 4.190 4.350 0.001 0.000 0.263 347 E C 0.333 177.006 176.600 0.122 0.000 1.030 347 E CA 0.233 56.689 56.400 0.094 0.000 0.934 347 E CB 0.947 30.686 29.700 0.065 0.000 0.943 347 E HN 0.676 nan 8.360 nan 0.000 0.444 348 W N 4.859 126.166 121.300 0.010 0.000 2.338 348 W HA -0.271 4.390 4.660 0.001 0.000 0.304 348 W C 1.601 178.131 176.519 0.017 0.000 1.212 348 W CA 1.796 59.148 57.345 0.012 0.000 1.264 348 W CB 0.061 29.526 29.460 0.010 0.000 1.142 348 W HN 0.583 nan 8.180 nan 0.000 0.512 349 K N -0.020 120.295 120.400 -0.141 0.000 2.283 349 K HA -0.127 4.194 4.320 0.001 0.000 0.202 349 K C 1.633 178.089 176.600 -0.239 0.000 1.048 349 K CA 1.628 57.770 56.287 -0.240 0.000 0.948 349 K CB -0.850 31.632 32.500 -0.031 0.000 0.742 349 K HN 0.079 nan 8.250 nan 0.000 0.458 350 V N 2.090 121.904 119.914 -0.167 0.000 2.323 350 V HA -0.191 3.930 4.120 0.001 0.000 0.244 350 V C 2.185 178.156 176.094 -0.205 0.000 1.041 350 V CA 1.798 64.018 62.300 -0.132 0.000 1.025 350 V CB -0.425 31.352 31.823 -0.076 0.000 0.656 350 V HN 0.360 nan 8.190 nan 0.000 0.451 351 K N -0.151 120.074 120.400 -0.293 0.000 2.057 351 K HA -0.195 4.126 4.320 0.001 0.000 0.207 351 K C 2.109 178.388 176.600 -0.536 0.000 1.049 351 K CA 1.468 57.534 56.287 -0.368 0.000 0.931 351 K CB -0.403 31.876 32.500 -0.369 0.000 0.714 351 K HN 0.267 nan 8.250 nan 0.000 0.440 352 L N 1.884 122.612 121.223 -0.824 0.000 2.027 352 L HA -0.149 4.192 4.340 0.001 0.000 0.206 352 L C 2.374 179.058 176.870 -0.310 0.000 1.074 352 L CA 1.785 56.215 54.840 -0.683 0.000 0.745 352 L CB -0.431 41.187 42.059 -0.735 0.000 0.898 352 L HN 0.179 nan 8.230 nan 0.000 0.433 353 E N -0.694 119.363 120.200 -0.238 0.000 2.058 353 E HA -0.314 4.037 4.350 0.001 0.000 0.194 353 E C 2.175 178.718 176.600 -0.095 0.000 0.997 353 E CA 1.995 58.320 56.400 -0.124 0.000 0.801 353 E CB -0.177 29.494 29.700 -0.049 0.000 0.746 353 E HN 0.477 nan 8.360 nan 0.000 0.450 354 M N 0.698 120.235 119.600 -0.105 0.000 2.159 354 M HA -0.087 4.393 4.480 0.001 0.000 0.263 354 M C 2.005 178.274 176.300 -0.052 0.000 1.063 354 M CA 1.908 57.169 55.300 -0.065 0.000 1.110 354 M CB -0.386 32.176 32.600 -0.063 0.000 1.374 354 M HN 0.125 nan 8.290 nan 0.000 0.411 355 A N -0.296 122.473 122.820 -0.085 0.000 1.969 355 A HA -0.104 4.217 4.320 0.001 0.000 0.218 355 A C 2.034 179.604 177.584 -0.024 0.000 1.169 355 A CA 1.673 53.681 52.037 -0.048 0.000 0.635 355 A CB -0.554 18.407 19.000 -0.065 0.000 0.810 355 A HN 0.534 nan 8.150 nan 0.000 0.445 356 M N -0.563 119.012 119.600 -0.042 0.000 2.123 356 M HA -0.124 4.356 4.480 0.001 0.000 0.263 356 M C 2.231 178.532 176.300 0.002 0.000 1.069 356 M CA 1.380 56.667 55.300 -0.022 0.000 1.133 356 M CB -1.642 30.933 32.600 -0.042 0.000 1.356 356 M HN 0.514 nan 8.290 nan 0.000 0.415 357 Q N -0.465 119.334 119.800 -0.001 0.000 2.077 357 Q HA -0.172 4.169 4.340 0.001 0.000 0.206 357 Q C 2.021 178.061 176.000 0.068 0.000 0.989 357 Q CA 2.320 58.138 55.803 0.026 0.000 0.853 357 Q CB -0.335 28.408 28.738 0.009 0.000 0.907 357 Q HN 0.521 nan 8.270 nan 0.000 0.418 358 T N 0.892 115.477 114.554 0.052 0.000 2.708 358 T HA -0.140 4.210 4.350 0.001 0.000 0.266 358 T C 1.718 176.470 174.700 0.087 0.000 1.037 358 T CA 0.983 63.130 62.100 0.078 0.000 1.146 358 T CB -0.109 68.791 68.868 0.054 0.000 0.865 358 T HN 0.137 nan 8.240 nan 0.000 0.435 359 K N 0.900 121.333 120.400 0.055 0.000 2.032 359 K HA -0.046 4.274 4.320 0.001 0.000 0.209 359 K C 2.269 178.906 176.600 0.063 0.000 1.048 359 K CA 1.297 57.613 56.287 0.049 0.000 0.927 359 K CB -0.511 32.009 32.500 0.032 0.000 0.712 359 K HN 0.367 nan 8.250 nan 0.000 0.441 360 I N -0.204 120.407 120.570 0.068 0.000 2.163 360 I HA -0.298 3.873 4.170 0.001 0.000 0.240 360 I C 2.455 178.625 176.117 0.089 0.000 1.081 360 I CA 1.263 62.604 61.300 0.068 0.000 1.353 360 I CB -0.448 37.589 38.000 0.062 0.000 1.054 360 I HN 0.148 nan 8.210 nan 0.000 0.407 361 Y N 1.928 122.233 120.300 0.008 0.000 2.114 361 Y HA -0.331 4.220 4.550 0.001 0.000 0.284 361 Y C 2.965 178.869 175.900 0.006 0.000 1.143 361 Y CA 2.372 60.476 58.100 0.006 0.000 1.135 361 Y CB -0.738 37.723 38.460 0.002 0.000 0.980 361 Y HN 0.303 nan 8.280 nan 0.000 0.499 362 T N -3.062 111.503 114.554 0.018 0.000 2.821 362 T HA -0.185 4.166 4.350 0.001 0.000 0.267 362 T C 1.817 176.458 174.700 -0.098 0.000 1.046 362 T CA 1.947 64.002 62.100 -0.074 0.000 1.139 362 T CB -1.276 67.605 68.868 0.022 0.000 0.871 362 T HN 0.560 nan 8.240 nan 0.000 0.454 363 T N -0.347 114.190 114.554 -0.028 0.000 2.896 363 T HA -0.031 4.319 4.350 0.001 0.000 0.263 363 T C 1.683 176.386 174.700 0.005 0.000 1.050 363 T CA 0.973 63.098 62.100 0.041 0.000 1.140 363 T CB -0.509 68.430 68.868 0.118 0.000 0.877 363 T HN 0.190 nan 8.240 nan 0.000 0.457 364 D N 0.994 121.363 120.400 -0.051 0.000 2.117 364 D HA -0.022 4.618 4.640 0.001 0.000 0.197 364 D C 2.188 178.417 176.300 -0.118 0.000 0.987 364 D CA 0.693 54.650 54.000 -0.071 0.000 0.829 364 D CB -0.409 40.349 40.800 -0.070 0.000 0.961 364 D HN 0.275 nan 8.370 nan 0.000 0.460 365 V N 0.599 120.372 119.914 -0.236 0.000 2.788 365 V HA -0.033 4.088 4.120 0.001 0.000 0.251 365 V C 2.233 178.235 176.094 -0.153 0.000 1.068 365 V CA 1.265 63.394 62.300 -0.284 0.000 1.090 365 V CB -0.096 31.321 31.823 -0.677 0.000 0.710 365 V HN 0.147 nan 8.190 nan 0.000 0.467 366 A N -0.329 122.433 122.820 -0.097 0.000 1.969 366 A HA -0.122 4.198 4.320 0.001 0.000 0.218 366 A C 2.308 179.913 177.584 0.034 0.000 1.169 366 A CA 1.843 53.877 52.037 -0.005 0.000 0.635 366 A CB -0.464 18.569 19.000 0.055 0.000 0.810 366 A HN 0.344 nan 8.150 nan 0.000 0.445 367 V N 0.220 120.146 119.914 0.020 0.000 2.261 367 V HA -0.298 3.823 4.120 0.001 0.000 0.246 367 V C 2.375 178.475 176.094 0.009 0.000 1.047 367 V CA 2.341 64.651 62.300 0.016 0.000 1.015 367 V CB -0.986 30.835 31.823 -0.003 0.000 0.642 367 V HN 0.647 nan 8.190 nan 0.000 0.446 368 E N -0.846 119.346 120.200 -0.013 0.000 2.097 368 E HA -0.296 4.054 4.350 0.001 0.000 0.196 368 E C 2.270 178.875 176.600 0.008 0.000 1.000 368 E CA 1.743 58.136 56.400 -0.012 0.000 0.804 368 E CB -0.431 29.248 29.700 -0.034 0.000 0.740 368 E HN 0.677 nan 8.360 nan 0.000 0.454 369 C N 0.353 119.659 119.300 0.011 0.000 2.429 369 C HA -0.087 4.374 4.460 0.001 0.000 0.277 369 C C 2.661 177.710 174.990 0.099 0.000 1.262 369 C CA 0.609 59.654 59.018 0.045 0.000 1.733 369 C CB -0.690 27.065 27.740 0.026 0.000 2.010 369 C HN 0.207 nan 8.230 nan 0.000 0.483 370 V N 0.967 120.941 119.914 0.101 0.000 2.358 370 V HA -0.145 3.976 4.120 0.001 0.000 0.246 370 V C 2.268 178.424 176.094 0.104 0.000 1.047 370 V CA 2.234 64.622 62.300 0.147 0.000 1.035 370 V CB -0.563 31.341 31.823 0.135 0.000 0.658 370 V HN 0.553 nan 8.190 nan 0.000 0.452 371 I N 0.010 120.612 120.570 0.053 0.000 2.353 371 I HA -0.172 3.999 4.170 0.001 0.000 0.248 371 I C 2.180 178.292 176.117 -0.008 0.000 1.119 371 I CA 1.287 62.596 61.300 0.015 0.000 1.417 371 I CB -0.354 37.651 38.000 0.008 0.000 1.078 371 I HN 0.284 nan 8.210 nan 0.000 0.421 372 D N 1.039 121.448 120.400 0.014 0.000 2.144 372 D HA -0.106 4.535 4.640 0.001 0.000 0.200 372 D C 2.272 178.578 176.300 0.010 0.000 0.978 372 D CA 1.375 55.384 54.000 0.014 0.000 0.833 372 D CB -0.082 40.740 40.800 0.036 0.000 0.961 372 D HN 0.297 nan 8.370 nan 0.000 0.470 373 A N 0.496 123.342 122.820 0.042 0.000 1.902 373 A HA -0.181 4.140 4.320 0.001 0.000 0.217 373 A C 2.244 179.682 177.584 -0.242 0.000 1.181 373 A CA 1.383 53.442 52.037 0.037 0.000 0.623 373 A CB -0.521 18.625 19.000 0.243 0.000 0.818 373 A HN 0.173 nan 8.150 nan 0.000 0.443 374 M N -0.904 118.493 119.600 -0.338 0.000 2.132 374 M HA -0.153 4.328 4.480 0.001 0.000 0.263 374 M C 2.131 178.247 176.300 -0.307 0.000 1.065 374 M CA 1.731 56.712 55.300 -0.530 0.000 1.122 374 M CB -0.374 32.043 32.600 -0.305 0.000 1.365 374 M HN 0.313 nan 8.290 nan 0.000 0.411 375 K N 0.458 120.760 120.400 -0.163 0.000 2.097 375 K HA -0.087 4.234 4.320 0.001 0.000 0.206 375 K C 2.122 178.674 176.600 -0.079 0.000 1.049 375 K CA 1.438 57.663 56.287 -0.102 0.000 0.933 375 K CB -0.257 32.208 32.500 -0.058 0.000 0.717 375 K HN 0.294 nan 8.250 nan 0.000 0.442 376 A N 0.859 123.641 122.820 -0.064 0.000 1.873 376 A HA -0.110 4.211 4.320 0.001 0.000 0.215 376 A C 2.337 179.930 177.584 0.015 0.000 1.186 376 A CA 1.334 53.371 52.037 0.000 0.000 0.616 376 A CB -0.613 18.413 19.000 0.042 0.000 0.823 376 A HN 0.070 nan 8.150 nan 0.000 0.442 377 V N -0.832 119.013 119.914 -0.115 0.000 2.515 377 V HA 0.158 4.279 4.120 0.001 0.000 0.250 377 V C 1.789 177.790 176.094 -0.155 0.000 1.058 377 V CA 1.257 63.431 62.300 -0.212 0.000 1.064 377 V CB -1.749 29.697 31.823 -0.628 0.000 0.675 377 V HN 1.231 nan 8.190 nan 0.000 0.461 378 G N -0.870 107.835 108.800 -0.158 0.000 2.542 378 G HA2 -0.375 3.586 3.960 0.001 0.000 0.235 378 G HA3 -0.375 3.586 3.960 0.001 0.000 0.235 378 G C 0.375 175.199 174.900 -0.127 0.000 1.286 378 G CA 0.290 45.328 45.100 -0.104 0.000 0.904 378 G HN 0.159 nan 8.290 nan 0.000 0.577 379 M N 0.438 119.994 119.600 -0.073 0.000 2.144 379 M HA -0.019 4.461 4.480 0.001 0.000 0.260 379 M C 2.401 178.689 176.300 -0.021 0.000 1.067 379 M CA 2.951 58.222 55.300 -0.048 0.000 1.095 379 M CB -0.589 31.997 32.600 -0.023 0.000 1.365 379 M HN 0.583 nan 8.290 nan 0.000 0.406 380 K N -0.675 119.687 120.400 -0.064 0.000 2.160 380 K HA -0.153 4.167 4.320 0.001 0.000 0.206 380 K C 1.874 178.431 176.600 -0.071 0.000 1.047 380 K CA 1.673 57.914 56.287 -0.077 0.000 0.930 380 K CB -0.421 31.980 32.500 -0.165 0.000 0.720 380 K HN 0.607 nan 8.250 nan 0.000 0.450 381 S N -0.343 115.264 115.700 -0.155 0.000 2.507 381 S HA -0.157 4.314 4.470 0.001 0.000 0.235 381 S C 1.608 176.254 174.600 0.076 0.000 0.988 381 S CA 0.561 58.673 58.200 -0.147 0.000 0.944 381 S CB -0.252 62.556 63.200 -0.654 0.000 0.762 381 S HN 0.365 nan 8.310 nan 0.000 0.526 382 Y N 2.261 122.524 120.300 -0.062 0.000 2.466 382 Y HA 0.594 5.145 4.550 0.001 0.000 0.272 382 Y C 0.814 176.714 175.900 -0.001 0.000 1.169 382 Y CA -0.638 57.446 58.100 -0.027 0.000 1.285 382 Y CB -0.243 38.191 38.460 -0.042 0.000 1.078 382 Y HN 0.435 nan 8.280 nan 0.000 0.523 383 A N 0.191 123.027 122.820 0.027 0.000 2.324 383 A HA 0.378 4.699 4.320 0.001 0.000 0.330 383 A C 0.696 178.265 177.584 -0.025 0.000 1.165 383 A CA -0.745 51.278 52.037 -0.025 0.000 0.813 383 A CB 0.886 19.896 19.000 0.016 0.000 1.197 383 A HN 0.342 nan 8.150 nan 0.000 0.484 384 K N 0.794 121.164 120.400 -0.050 0.000 2.589 384 K HA -0.059 4.262 4.320 0.001 0.000 0.192 384 K C 0.141 176.721 176.600 -0.032 0.000 1.029 384 K CA 0.915 57.175 56.287 -0.045 0.000 1.031 384 K CB 0.112 32.579 32.500 -0.056 0.000 0.821 384 K HN 0.792 nan 8.250 nan 0.000 0.502 385 D N -0.121 120.269 120.400 -0.018 0.000 2.340 385 D HA -0.051 4.590 4.640 0.001 0.000 0.220 385 D C 0.460 176.750 176.300 -0.016 0.000 1.039 385 D CA 0.340 54.331 54.000 -0.016 0.000 0.866 385 D CB 0.147 40.944 40.800 -0.004 0.000 0.913 385 D HN 0.090 nan 8.370 nan 0.000 0.523 386 M N -0.570 119.025 119.600 -0.007 0.000 2.716 386 M HA 0.275 4.756 4.480 0.001 0.000 0.307 386 M C 0.736 176.983 176.300 -0.089 0.000 1.223 386 M CA -0.819 54.467 55.300 -0.023 0.000 0.871 386 M CB 2.319 34.997 32.600 0.129 0.000 1.739 386 M HN -0.324 nan 8.290 nan 0.000 0.475 387 S N 0.207 115.747 115.700 -0.266 0.000 2.453 387 S HA -0.017 4.454 4.470 0.001 0.000 0.231 387 S C 1.396 175.856 174.600 -0.233 0.000 1.005 387 S CA 1.081 59.111 58.200 -0.283 0.000 0.949 387 S CB -0.283 62.693 63.200 -0.374 0.000 0.774 387 S HN 0.515 nan 8.310 nan 0.000 0.510 388 F N 1.931 121.852 119.950 -0.048 0.000 2.120 388 F HA -0.051 4.476 4.527 0.001 0.000 0.300 388 F C -0.502 175.269 175.800 -0.047 0.000 1.095 388 F CA 0.831 58.809 58.000 -0.038 0.000 1.249 388 F CB -2.237 36.743 39.000 -0.034 0.000 0.995 388 F HN 0.201 nan 8.300 nan 0.000 0.480 389 P HA -0.191 nan 4.420 nan 0.000 0.216 389 P C 1.519 178.801 177.300 -0.030 0.000 1.150 389 P CA 1.664 64.759 63.100 -0.008 0.000 0.837 389 P CB -0.150 31.500 31.700 -0.084 0.000 0.786 390 R N 0.043 120.518 120.500 -0.042 0.000 2.075 390 R HA -0.069 4.272 4.340 0.001 0.000 0.232 390 R C 2.124 178.378 176.300 -0.077 0.000 1.126 390 R CA 1.282 57.342 56.100 -0.066 0.000 0.963 390 R CB -0.874 29.387 30.300 -0.065 0.000 0.858 390 R HN 0.150 nan 8.270 nan 0.000 0.435 391 L N 0.737 121.933 121.223 -0.046 0.000 2.056 391 L HA -0.158 4.183 4.340 0.001 0.000 0.207 391 L C 2.526 179.391 176.870 -0.010 0.000 1.078 391 L CA 0.570 55.396 54.840 -0.023 0.000 0.749 391 L CB -0.561 41.502 42.059 0.007 0.000 0.901 391 L HN 0.256 nan 8.230 nan 0.000 0.433 392 L N 0.304 121.542 121.223 0.025 0.000 2.013 392 L HA -0.246 4.095 4.340 0.001 0.000 0.212 392 L C 2.336 179.179 176.870 -0.046 0.000 1.073 392 L CA 1.897 56.746 54.840 0.015 0.000 0.753 392 L CB -0.753 41.332 42.059 0.044 0.000 0.890 392 L HN 0.270 nan 8.230 nan 0.000 0.432 393 N N -0.287 118.372 118.700 -0.069 0.000 2.106 393 N HA -0.189 4.551 4.740 0.001 0.000 0.188 393 N C 1.752 177.159 175.510 -0.173 0.000 1.029 393 N CA 1.786 54.775 53.050 -0.101 0.000 0.848 393 N CB -0.161 38.272 38.487 -0.089 0.000 1.007 393 N HN 0.562 nan 8.380 nan 0.000 0.423 394 E N 0.516 120.571 120.200 -0.242 0.000 2.150 394 E HA -0.080 4.271 4.350 0.001 0.000 0.193 394 E C 1.930 178.261 176.600 -0.448 0.000 0.985 394 E CA 0.388 56.529 56.400 -0.431 0.000 0.814 394 E CB 0.060 29.427 29.700 -0.555 0.000 0.752 394 E HN 0.024 nan 8.360 nan 0.000 0.466 395 V N 0.784 120.526 119.914 -0.287 0.000 2.548 395 V HA -0.173 3.948 4.120 0.001 0.000 0.249 395 V C 1.837 177.729 176.094 -0.337 0.000 1.055 395 V CA 1.142 63.284 62.300 -0.263 0.000 1.065 395 V CB -0.076 31.751 31.823 0.006 0.000 0.681 395 V HN 0.327 nan 8.190 nan 0.000 0.462 396 M N -1.262 118.188 119.600 -0.250 0.000 2.632 396 M HA -0.101 4.380 4.480 0.001 0.000 0.256 396 M C 2.190 178.328 176.300 -0.270 0.000 1.080 396 M CA 1.173 56.357 55.300 -0.192 0.000 1.084 396 M CB -1.967 30.561 32.600 -0.119 0.000 1.439 396 M HN 0.643 nan 8.290 nan 0.000 0.509 397 C N 0.138 119.155 119.300 -0.472 0.000 2.446 397 C HA -0.195 4.266 4.460 0.001 0.000 0.277 397 C C 2.545 177.188 174.990 -0.578 0.000 1.275 397 C CA 0.721 59.384 59.018 -0.592 0.000 1.727 397 C CB -0.955 26.281 27.740 -0.841 0.000 2.010 397 C HN 0.512 nan 8.230 nan 0.000 0.486 398 Y N 2.189 122.260 120.300 -0.382 0.000 2.128 398 Y HA -0.013 4.537 4.550 0.001 0.000 0.284 398 Y C 0.023 175.961 175.900 0.063 0.000 1.154 398 Y CA 1.488 59.474 58.100 -0.190 0.000 1.149 398 Y CB -2.515 35.887 38.460 -0.097 0.000 0.976 398 Y HN 0.371 nan 8.280 nan 0.000 0.505 399 P HA -0.091 nan 4.420 nan 0.000 0.222 399 P C 1.201 178.540 177.300 0.065 0.000 1.147 399 P CA 1.549 64.699 63.100 0.083 0.000 0.790 399 P CB -0.063 31.650 31.700 0.022 0.000 0.780 400 L N -2.537 118.714 121.223 0.047 0.000 2.362 400 L HA 0.201 4.542 4.340 0.001 0.000 0.204 400 L C 1.691 178.590 176.870 0.048 0.000 1.060 400 L CA -0.056 54.778 54.840 -0.010 0.000 0.827 400 L CB -0.574 41.424 42.059 -0.102 0.000 1.027 400 L HN -0.036 nan 8.230 nan 0.000 0.474 401 F N 0.170 120.033 119.950 -0.145 0.000 2.284 401 F HA 0.242 4.770 4.527 0.002 0.000 0.297 401 F C 0.757 176.518 175.800 -0.066 0.000 1.215 401 F CA -0.720 57.192 58.000 -0.147 0.000 1.120 401 F CB 0.245 39.158 39.000 -0.145 0.000 1.426 401 F HN -0.006 nan 8.300 nan 0.000 0.514 402 D N 0.840 120.906 120.400 -0.556 0.000 2.701 402 D HA -0.101 4.540 4.640 0.001 0.000 0.235 402 D C 0.010 176.192 176.300 -0.196 0.000 1.155 402 D CA 1.661 55.378 54.000 -0.473 0.000 0.649 402 D CB -1.414 38.930 40.800 -0.760 0.000 1.050 402 D HN 1.452 nan 8.370 nan 0.000 0.425 403 G N -0.965 107.716 108.800 -0.199 0.000 3.115 403 G HA2 0.274 4.235 3.960 0.001 0.000 0.291 403 G HA3 0.274 4.235 3.960 0.001 0.000 0.291 403 G C 0.605 175.456 174.900 -0.082 0.000 1.012 403 G CA 0.072 45.063 45.100 -0.182 0.000 0.929 403 G HN 0.965 nan 8.290 nan 0.000 0.413 404 G N 1.409 110.168 108.800 -0.070 0.000 2.562 404 G HA2 0.318 4.279 3.960 0.001 0.000 0.233 404 G HA3 0.318 4.279 3.960 0.001 0.000 0.233 404 G C 1.023 175.912 174.900 -0.018 0.000 1.266 404 G CA 0.305 45.387 45.100 -0.031 0.000 0.852 404 G HN 0.682 nan 8.290 nan 0.000 0.581 405 N N 0.695 119.395 118.700 -0.000 0.000 2.244 405 N HA -0.113 4.628 4.740 0.001 0.000 0.183 405 N C 2.104 177.610 175.510 -0.006 0.000 1.016 405 N CA 0.574 53.625 53.050 0.003 0.000 0.866 405 N CB -0.049 38.447 38.487 0.014 0.000 0.980 405 N HN 0.386 nan 8.380 nan 0.000 0.430 406 I N 0.234 120.798 120.570 -0.010 0.000 2.277 406 I HA -0.005 4.165 4.170 0.001 0.000 0.243 406 I C 2.319 178.429 176.117 -0.012 0.000 1.094 406 I CA 0.980 62.273 61.300 -0.011 0.000 1.393 406 I CB -1.614 36.378 38.000 -0.012 0.000 1.078 406 I HN 0.078 nan 8.210 nan 0.000 0.417 407 G N -0.015 108.776 108.800 -0.015 0.000 2.411 407 G HA2 0.037 3.998 3.960 0.001 0.000 0.213 407 G HA3 0.037 3.998 3.960 0.001 0.000 0.213 407 G C 1.734 176.632 174.900 -0.003 0.000 1.166 407 G CA 0.258 45.352 45.100 -0.009 0.000 0.802 407 G HN 0.257 nan 8.290 nan 0.000 0.533 408 L N -0.939 120.277 121.223 -0.013 0.000 2.488 408 L HA 0.274 4.615 4.340 0.001 0.000 0.186 408 L C 2.937 179.801 176.870 -0.010 0.000 1.124 408 L CA -0.155 54.680 54.840 -0.009 0.000 0.838 408 L CB -0.083 41.950 42.059 -0.043 0.000 1.107 408 L HN -0.124 nan 8.230 nan 0.000 0.494 409 R N 0.539 121.028 120.500 -0.018 0.000 2.081 409 R HA -0.064 4.276 4.340 0.001 0.000 0.235 409 R C 2.175 178.465 176.300 -0.016 0.000 1.131 409 R CA 1.154 57.246 56.100 -0.013 0.000 0.960 409 R CB -0.753 29.543 30.300 -0.006 0.000 0.856 409 R HN 0.308 nan 8.270 nan 0.000 0.436 410 R N 0.250 120.741 120.500 -0.015 0.000 2.096 410 R HA -0.060 4.281 4.340 0.001 0.000 0.235 410 R C 2.271 178.551 176.300 -0.033 0.000 1.127 410 R CA 1.201 57.288 56.100 -0.022 0.000 0.968 410 R CB -0.094 30.197 30.300 -0.015 0.000 0.861 410 R HN 0.001 nan 8.270 nan 0.000 0.440 411 R N 0.582 121.067 120.500 -0.024 0.000 2.062 411 R HA -0.041 4.300 4.340 0.001 0.000 0.229 411 R C 2.224 178.504 176.300 -0.033 0.000 1.128 411 R CA 1.333 57.417 56.100 -0.027 0.000 0.960 411 R CB -0.427 29.865 30.300 -0.012 0.000 0.855 411 R HN 0.291 nan 8.270 nan 0.000 0.432 412 Q N -0.291 119.497 119.800 -0.019 0.000 2.077 412 Q HA -0.226 4.115 4.340 0.001 0.000 0.206 412 Q C 2.125 178.092 176.000 -0.056 0.000 0.989 412 Q CA 2.037 57.828 55.803 -0.019 0.000 0.853 412 Q CB -0.260 28.481 28.738 0.004 0.000 0.907 412 Q HN 0.326 nan 8.270 nan 0.000 0.418 413 M N 0.473 120.034 119.600 -0.066 0.000 2.117 413 M HA -0.264 4.216 4.480 0.001 0.000 0.262 413 M C 2.308 178.519 176.300 -0.149 0.000 1.065 413 M CA 1.649 56.888 55.300 -0.102 0.000 1.114 413 M CB -0.050 32.501 32.600 -0.081 0.000 1.361 413 M HN 0.169 nan 8.290 nan 0.000 0.408 414 Q N 0.189 119.917 119.800 -0.120 0.000 2.061 414 Q HA -0.271 4.070 4.340 0.001 0.000 0.204 414 Q C 2.182 178.091 176.000 -0.152 0.000 0.984 414 Q CA 2.788 58.510 55.803 -0.136 0.000 0.846 414 Q CB -0.157 28.528 28.738 -0.088 0.000 0.902 414 Q HN 0.648 nan 8.270 nan 0.000 0.421 415 R N 0.034 120.467 120.500 -0.113 0.000 2.080 415 R HA -0.138 4.202 4.340 0.001 0.000 0.236 415 R C 2.296 178.516 176.300 -0.133 0.000 1.137 415 R CA 1.897 57.937 56.100 -0.100 0.000 0.943 415 R CB -1.835 28.428 30.300 -0.062 0.000 0.846 415 R HN 0.261 nan 8.270 nan 0.000 0.431 416 V N 1.283 121.106 119.914 -0.151 0.000 2.252 416 V HA -0.374 3.746 4.120 0.001 0.000 0.249 416 V C 2.761 178.629 176.094 -0.376 0.000 1.056 416 V CA 2.642 64.836 62.300 -0.177 0.000 1.022 416 V CB -0.556 31.177 31.823 -0.150 0.000 0.641 416 V HN 0.622 nan 8.190 nan 0.000 0.445 417 M N -0.217 119.000 119.600 -0.639 0.000 2.279 417 M HA -0.128 4.353 4.480 0.001 0.000 0.264 417 M C 2.165 178.121 176.300 -0.572 0.000 1.062 417 M CA 1.894 56.495 55.300 -1.166 0.000 1.099 417 M CB -0.509 31.578 32.600 -0.856 0.000 1.394 417 M HN 0.403 nan 8.290 nan 0.000 0.426 418 A N 0.365 123.006 122.820 -0.298 0.000 2.119 418 A HA 0.155 4.475 4.320 0.001 0.000 0.216 418 A C 1.056 178.592 177.584 -0.080 0.000 1.152 418 A CA 0.128 52.075 52.037 -0.149 0.000 0.708 418 A CB -0.518 18.416 19.000 -0.110 0.000 0.805 418 A HN 0.350 nan 8.150 nan 0.000 0.460 419 L N 0.718 121.899 121.223 -0.070 0.000 2.490 419 L HA -0.010 4.331 4.340 0.001 0.000 0.274 419 L C 1.274 178.168 176.870 0.039 0.000 1.201 419 L CA -0.286 54.552 54.840 -0.003 0.000 0.869 419 L CB 0.274 42.344 42.059 0.019 0.000 1.123 419 L HN 0.448 nan 8.230 nan 0.000 0.484 420 E N 1.555 121.773 120.200 0.029 0.000 2.209 420 E HA -0.203 4.147 4.350 0.001 0.000 0.196 420 E C 0.253 176.882 176.600 0.049 0.000 0.993 420 E CA 1.392 57.812 56.400 0.034 0.000 0.819 420 E CB -0.046 29.666 29.700 0.020 0.000 0.745 420 E HN 0.727 nan 8.360 nan 0.000 0.477 421 D N -0.465 119.968 120.400 0.055 0.000 2.615 421 D HA -0.059 4.582 4.640 0.001 0.000 0.236 421 D C -0.339 176.000 176.300 0.066 0.000 1.233 421 D CA -0.621 53.406 54.000 0.045 0.000 0.829 421 D CB -1.010 39.808 40.800 0.030 0.000 1.024 421 D HN 0.161 nan 8.370 nan 0.000 0.490 422 Y N 1.506 121.778 120.300 -0.047 0.000 2.526 422 Y HA 0.169 4.720 4.550 0.001 0.000 0.330 422 Y C -0.142 175.708 175.900 -0.085 0.000 1.156 422 Y CA 0.040 58.095 58.100 -0.075 0.000 1.419 422 Y CB 0.690 39.096 38.460 -0.091 0.000 1.250 422 Y HN -0.087 nan 8.280 nan 0.000 0.540 423 E N 8.901 128.754 120.200 -0.578 0.000 2.255 423 E HA 0.144 4.495 4.350 0.001 0.000 0.245 423 E C -1.962 174.093 176.600 -0.908 0.000 0.909 423 E CA -1.992 54.059 56.400 -0.583 0.000 0.747 423 E CB 1.222 30.779 29.700 -0.238 0.000 1.215 423 E HN 0.617 nan 8.360 nan 0.000 0.424 424 P HA -0.171 nan 4.420 nan 0.000 0.216 424 P C 0.249 176.968 177.300 -0.968 0.000 1.153 424 P CA 1.365 63.647 63.100 -1.362 0.000 0.858 424 P CB 0.098 30.890 31.700 -1.513 0.000 0.789 425 W N -1.336 119.871 121.300 -0.156 0.000 3.123 425 W HA 0.547 5.208 4.660 0.001 0.000 0.383 425 W C 1.964 178.445 176.519 -0.064 0.000 1.102 425 W CA -0.214 57.092 57.345 -0.065 0.000 1.865 425 W CB -0.408 29.115 29.460 0.105 0.000 1.111 425 W HN -0.108 nan 8.180 nan 0.000 0.621 426 A N 0.973 123.811 122.820 0.029 0.000 2.024 426 A HA -0.064 4.257 4.320 0.001 0.000 0.220 426 A C 2.144 179.738 177.584 0.016 0.000 1.164 426 A CA 1.986 54.037 52.037 0.023 0.000 0.643 426 A CB -0.617 18.359 19.000 -0.040 0.000 0.806 426 A HN 0.246 nan 8.150 nan 0.000 0.451 427 A N -1.705 121.112 122.820 -0.005 0.000 2.167 427 A HA 0.152 4.472 4.320 0.001 0.000 0.214 427 A C 2.004 179.558 177.584 -0.051 0.000 1.151 427 A CA 1.776 53.800 52.037 -0.021 0.000 0.735 427 A CB -0.399 18.585 19.000 -0.025 0.000 0.802 427 A HN 0.406 nan 8.150 nan 0.000 0.467 428 T N -2.503 111.992 114.554 -0.099 0.000 3.071 428 T HA 0.129 4.480 4.350 0.001 0.000 0.239 428 T C 1.173 175.676 174.700 -0.329 0.000 0.997 428 T CA 0.811 62.722 62.100 -0.315 0.000 1.134 428 T CB -0.162 68.346 68.868 -0.601 0.000 0.928 428 T HN 0.547 nan 8.240 nan 0.000 0.453 429 Y N 1.134 121.472 120.300 0.064 0.000 2.467 429 Y HA 0.428 4.978 4.550 0.001 0.000 0.250 429 Y C 1.817 177.734 175.900 0.029 0.000 1.155 429 Y CA -0.374 57.748 58.100 0.038 0.000 1.249 429 Y CB 0.180 38.666 38.460 0.042 0.000 1.146 429 Y HN 0.380 nan 8.280 nan 0.000 0.524 430 G N 0.989 109.868 108.800 0.132 0.000 2.581 430 G HA2 -0.228 3.732 3.960 0.001 0.000 0.289 430 G HA3 -0.228 3.732 3.960 0.001 0.000 0.289 430 G C 0.189 175.151 174.900 0.103 0.000 1.303 430 G CA 0.428 45.580 45.100 0.086 0.000 0.931 430 G HN 0.440 nan 8.290 nan 0.000 0.555 431 S N -2.946 112.792 115.700 0.064 0.000 3.576 431 S HA 0.968 5.439 4.470 0.001 0.000 0.321 431 S C 0.179 174.794 174.600 0.025 0.000 1.174 431 S CA 1.192 59.413 58.200 0.035 0.000 1.102 431 S CB 0.679 63.895 63.200 0.027 0.000 1.467 431 S HN 2.808 nan 8.310 nan 0.000 0.701 432 S N 0.000 115.710 115.700 0.017 0.000 2.498 432 S HA 0.000 4.471 4.470 0.001 0.000 0.327 432 S CA 0.000 58.208 58.200 0.014 0.000 1.107 432 S CB 0.000 63.206 63.200 0.010 0.000 0.593 432 S HN 0.000 nan 8.310 nan 0.000 0.517