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 2f91_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTDATLG EFPYQLSFQE TFSFHFcGAS IYNENYAITA GHcVNPSGLQ DATA SEQUENCE IVAGELDMSV NEGSEQIITV SKIILHENFD YNLLDNDISL LKLSGSLTFN DATA SEQUENCE DNVAPIALPE QGHTATXXGD VIVTGWGTTS EGGNXTPDVL QKVTVPLVSD DATA SEQUENCE EDcRADYADE ILDSMIcAGV GGKDScQGDS GGPLAASDTG STYLAGIVSW DATA SEQUENCE GYGcARPGYP XGVYTEVSYH VDWIKANAV 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 16 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 16 I C 0.000 176.111 176.117 -0.011 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.019 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.071 0.000 1.214 17 V N 6.250 126.164 119.914 0.001 0.000 2.407 17 V HA 0.169 4.440 4.120 0.003 -0.149 0.278 17 V C 0.515 176.609 176.094 -0.000 0.000 1.037 17 V CA -1.038 61.264 62.300 0.004 0.000 0.900 17 V CB 0.894 32.723 31.823 0.011 0.000 0.983 17 V HN 0.747 8.941 8.190 0.007 0.000 0.459 18 G N 6.485 115.283 108.800 -0.003 0.000 2.136 18 G HA2 -0.367 3.591 3.960 -0.002 0.000 0.242 18 G HA3 -0.367 3.772 3.960 -0.000 -0.179 0.242 18 G C -0.613 174.282 174.900 -0.010 0.000 0.989 18 G CA 0.039 45.137 45.100 -0.003 0.000 0.682 18 G HN 0.784 9.073 8.290 -0.002 0.000 0.522 19 G N -1.422 107.367 108.800 -0.018 0.000 2.568 19 G HA2 0.421 4.391 3.960 -0.024 0.000 0.293 19 G HA3 0.421 4.422 3.960 -0.043 -0.067 0.293 19 G C -1.458 173.429 174.900 -0.022 0.000 1.347 19 G CA -1.069 44.014 45.100 -0.028 0.000 1.039 19 G HN -0.483 7.752 8.290 -0.019 0.043 0.523 20 T N -3.928 110.612 114.554 -0.024 0.000 2.887 20 T HA 0.335 4.677 4.350 -0.013 0.000 0.292 20 T C -1.760 172.928 174.700 -0.020 0.000 1.087 20 T CA -2.278 59.814 62.100 -0.014 0.000 1.009 20 T CB 2.424 71.292 68.868 0.001 0.000 1.203 20 T HN 0.470 8.692 8.240 -0.030 0.000 0.518 21 D N 1.471 121.864 120.400 -0.012 0.000 2.389 21 D HA 0.019 4.769 4.640 -0.038 -0.134 0.247 21 D C 0.212 176.521 176.300 0.014 0.000 1.128 21 D CA 0.573 54.564 54.000 -0.014 0.000 0.884 21 D CB 0.156 40.954 40.800 -0.004 0.000 1.194 21 D HN 0.203 8.569 8.370 -0.006 0.000 0.441 22 A N 4.833 127.664 122.820 0.018 0.000 2.296 22 A HA 0.181 4.749 4.320 0.176 -0.143 0.264 22 A C -0.093 177.509 177.584 0.030 0.000 1.097 22 A CA -0.513 51.587 52.037 0.104 0.000 0.811 22 A CB 1.787 20.886 19.000 0.165 0.000 1.072 22 A HN 0.412 8.540 8.150 -0.036 0.000 0.495 23 T N 0.127 114.676 114.554 -0.008 0.000 2.888 23 T HA 0.136 4.479 4.350 -0.013 0.000 0.284 23 T C -1.021 173.653 174.700 -0.044 0.000 1.017 23 T CA -0.967 61.112 62.100 -0.035 0.000 1.022 23 T CB 1.280 70.106 68.868 -0.070 0.000 1.013 23 T HN 0.071 8.558 8.240 -0.032 -0.266 0.465 24 L N 3.851 125.064 121.223 -0.017 0.000 2.540 24 L HA -0.247 4.098 4.340 0.008 0.000 0.276 24 L C 1.047 177.887 176.870 -0.051 0.000 1.212 24 L CA 1.709 56.544 54.840 -0.010 0.000 0.893 24 L CB 0.093 42.160 42.059 0.013 0.000 1.138 24 L HN 0.258 8.484 8.230 -0.006 0.000 0.491 25 G N 3.240 112.003 108.800 -0.061 0.000 2.199 25 G HA2 -0.421 3.508 3.960 -0.064 0.000 0.254 25 G HA3 -0.421 3.560 3.960 -0.072 -0.065 0.254 25 G C -0.481 174.309 174.900 -0.184 0.000 0.982 25 G CA 0.313 45.359 45.100 -0.089 0.000 0.632 25 G HN 0.458 8.725 8.290 -0.039 0.000 0.529 26 E N 0.134 120.161 120.200 -0.288 0.000 2.106 26 E HA -0.200 3.864 4.350 -0.477 0.000 0.192 26 E C 0.177 176.246 176.600 -0.885 0.000 0.984 26 E CA 1.883 57.922 56.400 -0.603 0.000 0.806 26 E CB 0.895 30.119 29.700 -0.793 0.000 0.750 26 E HN -0.338 7.796 8.360 -0.225 0.091 0.458 27 F N -2.823 116.975 119.950 -0.253 0.000 2.531 27 F HA 0.476 4.626 4.527 -0.628 0.000 0.333 27 F C -1.631 173.832 175.800 -0.560 0.000 1.292 27 F CA -3.949 53.702 58.000 -0.582 0.000 1.184 27 F CB -0.432 38.184 39.000 -0.641 0.000 1.426 27 F HN -0.421 7.685 8.300 -0.324 0.000 0.559 28 P HA 0.016 4.550 4.420 -0.045 -0.141 0.230 28 P C -0.007 177.293 177.300 -0.001 0.000 1.158 28 P CA 1.182 64.243 63.100 -0.066 0.000 0.769 28 P CB -0.119 31.574 31.700 -0.011 0.000 0.807 29 Y N -5.887 114.461 120.300 0.080 0.000 2.511 29 Y HA 0.418 5.155 4.550 0.049 -0.157 0.279 29 Y C -0.357 175.609 175.900 0.111 0.000 1.157 29 Y CA -2.956 55.189 58.100 0.074 0.000 1.300 29 Y CB -1.234 37.262 38.460 0.060 0.000 1.052 29 Y HN -0.429 7.579 8.280 -0.355 0.060 0.529 30 Q N 2.124 121.862 119.800 -0.104 0.000 2.313 30 Q HA 0.074 4.492 4.340 0.131 0.000 0.266 30 Q C -0.850 175.262 176.000 0.187 0.000 0.989 30 Q CA 0.007 55.831 55.803 0.036 0.000 0.890 30 Q CB 0.424 29.089 28.738 -0.123 0.000 1.200 30 Q HN -0.780 7.229 8.270 -0.352 0.050 0.396 31 L N 5.536 126.905 121.223 0.243 0.000 2.333 31 L HA 0.599 5.233 4.340 0.236 -0.152 0.269 31 L C -0.980 176.103 176.870 0.354 0.000 1.010 31 L CA -1.919 53.068 54.840 0.245 0.000 0.818 31 L CB 2.952 45.092 42.059 0.134 0.000 1.306 31 L HN 0.231 8.598 8.230 0.229 0.000 0.430 32 S N 0.649 116.478 115.700 0.214 0.000 2.457 32 S HA 0.290 4.955 4.470 0.326 0.000 0.289 32 S C -1.286 173.351 174.600 0.062 0.000 1.163 32 S CA -0.798 57.473 58.200 0.119 0.000 1.078 32 S CB 1.214 64.252 63.200 -0.270 0.000 0.987 32 S HN 0.081 8.474 8.310 0.138 0.000 0.482 33 F N 9.208 128.975 119.950 -0.306 0.000 2.385 33 F HA 0.691 5.208 4.527 -0.253 -0.141 0.360 33 F C -2.158 173.246 175.800 -0.660 0.000 1.122 33 F CA -3.184 54.539 58.000 -0.461 0.000 1.090 33 F CB 1.959 40.609 39.000 -0.584 0.000 1.150 33 F HN 0.460 8.697 8.300 -0.106 0.000 0.472 34 Q N 7.200 126.992 119.800 -0.013 0.000 2.387 34 Q HA 0.771 5.279 4.340 -0.035 -0.189 0.273 34 Q C -1.472 174.676 176.000 0.247 0.000 1.089 34 Q CA -2.117 53.712 55.803 0.043 0.000 0.824 34 Q CB 4.836 33.588 28.738 0.024 0.000 1.367 34 Q HN 0.730 9.159 8.270 0.264 0.000 0.443 35 E N 0.693 121.039 120.200 0.244 0.000 2.199 35 E HA 0.917 5.490 4.350 0.056 -0.189 0.269 35 E C -0.107 176.460 176.600 -0.056 0.000 0.899 35 E CA -2.544 53.887 56.400 0.052 0.000 0.772 35 E CB 3.205 32.828 29.700 -0.129 0.000 1.155 35 E HN 0.533 9.069 8.360 0.294 0.000 0.408 36 T N 0.234 114.735 114.554 -0.089 0.000 2.875 36 T HA 0.391 4.619 4.350 -0.203 0.000 0.284 36 T C 0.697 175.273 174.700 -0.207 0.000 0.995 36 T CA -0.875 61.135 62.100 -0.151 0.000 1.060 36 T CB 0.704 69.529 68.868 -0.072 0.000 0.967 36 T HN 0.032 8.237 8.240 -0.057 0.000 0.476 37 F N 2.375 122.344 119.950 0.032 0.000 1.597 37 F HA -0.365 4.189 4.527 0.046 0.000 0.119 37 F C -1.469 174.377 175.800 0.077 0.000 0.328 37 F CA 0.678 58.710 58.000 0.054 0.000 0.491 37 F CB -0.449 38.593 39.000 0.069 0.000 0.738 37 F HN 0.170 8.589 8.300 0.199 0.000 0.657 38 S N 2.434 118.155 115.700 0.035 0.000 2.437 38 S HA 0.148 4.664 4.470 -0.156 -0.139 0.305 38 S C -1.508 173.157 174.600 0.108 0.000 1.109 38 S CA -0.441 57.736 58.200 -0.039 0.000 1.099 38 S CB 1.065 64.275 63.200 0.017 0.000 1.004 38 S HN -0.242 8.196 8.310 0.213 0.000 0.475 39 F N 7.087 126.957 119.950 -0.134 0.000 2.402 39 F HA 0.282 4.954 4.527 0.241 0.000 0.355 39 F C -2.008 173.874 175.800 0.137 0.000 1.123 39 F CA -1.402 56.645 58.000 0.077 0.000 1.021 39 F CB 3.384 42.396 39.000 0.021 0.000 1.160 39 F HN 0.669 8.978 8.300 0.014 0.000 0.451 40 H N 10.320 129.053 119.070 -0.562 0.000 2.975 40 H HA -0.232 4.217 4.556 -0.410 -0.139 0.303 40 H C -0.880 173.963 175.328 -0.809 0.000 1.023 40 H CA 1.083 56.780 56.048 -0.585 0.000 1.473 40 H CB 0.279 29.744 29.762 -0.494 0.000 1.498 40 H HN 0.562 8.679 8.280 -0.271 0.000 0.549 41 F N 1.545 120.960 119.950 -0.891 0.000 2.831 41 F HA 0.319 4.585 4.527 -0.434 0.000 0.334 41 F C -1.972 173.572 175.800 -0.427 0.000 1.071 41 F CA -0.741 56.953 58.000 -0.509 0.000 1.172 41 F CB 1.430 40.337 39.000 -0.155 0.000 1.054 41 F HN -0.212 7.409 8.300 -1.131 0.000 0.572 42 c N -0.893 116.979 118.600 -1.213 0.000 3.288 42 c HA 0.370 4.837 4.570 -0.263 -0.054 0.318 42 c C -1.396 172.466 174.090 -0.380 0.000 1.356 42 c CA -0.199 55.776 56.329 -0.590 0.000 1.359 42 c CB 4.080 46.307 42.510 -0.471 0.000 1.688 42 c HN -0.653 6.572 8.230 -1.675 0.000 0.467 43 G N -1.228 107.580 108.800 0.013 0.000 2.522 43 G HA2 0.723 4.980 3.960 0.267 0.000 0.304 43 G HA3 0.723 4.814 3.960 0.218 0.000 0.304 43 G C -2.759 172.208 174.900 0.111 0.000 1.210 43 G CA -1.232 43.972 45.100 0.172 0.000 0.960 43 G HN 0.469 8.783 8.290 0.040 0.000 0.497 44 A N -3.588 119.307 122.820 0.125 0.000 2.581 44 A HA 0.635 5.270 4.320 0.066 -0.276 0.290 44 A C -2.223 175.443 177.584 0.137 0.000 1.119 44 A CA -0.725 51.354 52.037 0.070 0.000 0.670 44 A CB 2.695 21.654 19.000 -0.069 0.000 1.280 44 A HN -0.382 7.876 8.150 0.179 0.000 0.425 45 S N -2.177 113.608 115.700 0.141 0.000 2.536 45 S HA 0.924 5.754 4.470 0.269 -0.199 0.287 45 S C -0.572 174.150 174.600 0.202 0.000 1.101 45 S CA -0.771 57.556 58.200 0.212 0.000 0.950 45 S CB 3.232 66.553 63.200 0.201 0.000 1.056 45 S HN -0.010 8.363 8.310 0.105 0.000 0.481 46 I N 3.612 124.322 120.570 0.232 0.000 2.452 46 I HA -0.107 4.196 4.170 0.223 0.000 0.287 46 I C -0.382 175.873 176.117 0.229 0.000 1.079 46 I CA 1.361 62.793 61.300 0.221 0.000 1.387 46 I CB -0.018 38.103 38.000 0.201 0.000 1.404 46 I HN 0.276 8.650 8.210 0.274 0.000 0.522 47 Y N 9.110 129.493 120.300 0.138 0.000 2.301 47 Y HA -0.033 4.563 4.550 0.076 0.000 0.295 47 Y C -1.585 174.398 175.900 0.137 0.000 1.126 47 Y CA 1.352 59.520 58.100 0.114 0.000 1.154 47 Y CB 2.992 41.519 38.460 0.112 0.000 1.075 47 Y HN 0.380 8.882 8.280 0.369 0.000 0.534 48 N N -4.125 114.636 118.700 0.102 0.000 3.344 48 N HA 0.066 4.880 4.740 0.123 0.000 0.296 48 N C 0.528 176.252 175.510 0.356 0.000 1.571 48 N CA -0.894 52.232 53.050 0.126 0.000 0.844 48 N CB 0.544 38.991 38.487 -0.065 0.000 1.718 48 N HN -0.780 7.789 8.380 0.315 0.000 0.589 49 E N -3.241 117.136 120.200 0.294 0.000 2.338 49 E HA -0.302 4.094 4.350 0.076 0.000 0.197 49 E C 0.571 177.183 176.600 0.020 0.000 1.007 49 E CA 3.242 59.658 56.400 0.026 0.000 0.849 49 E CB -0.501 28.994 29.700 -0.341 0.000 0.774 49 E HN 0.537 9.042 8.360 0.242 0.000 0.506 50 N N -1.975 116.772 118.700 0.080 0.000 2.184 50 N HA 0.211 4.886 4.740 -0.108 0.000 0.206 50 N C -1.885 173.495 175.510 -0.217 0.000 1.151 50 N CA -0.029 52.977 53.050 -0.074 0.000 0.878 50 N CB 2.632 41.047 38.487 -0.121 0.000 1.014 50 N HN -0.269 8.443 8.380 0.171 -0.229 0.512 51 Y N -1.565 118.805 120.300 0.117 0.000 2.457 51 Y HA 0.681 5.502 4.550 0.072 -0.228 0.343 51 Y C -2.330 173.662 175.900 0.153 0.000 0.994 51 Y CA -1.507 56.672 58.100 0.131 0.000 1.031 51 Y CB 4.321 42.906 38.460 0.208 0.000 1.246 51 Y HN -0.642 7.922 8.280 0.298 -0.105 0.449 52 A N 1.069 124.025 122.820 0.227 0.000 2.337 52 A HA 0.995 5.593 4.320 0.197 -0.160 0.331 52 A C -1.936 175.724 177.584 0.127 0.000 1.137 52 A CA -2.903 49.221 52.037 0.145 0.000 0.807 52 A CB 3.565 22.562 19.000 -0.005 0.000 1.250 52 A HN 0.827 9.080 8.150 0.171 0.000 0.468 53 I N 0.961 121.600 120.570 0.114 0.000 2.377 53 I HA 0.628 4.997 4.170 0.093 -0.144 0.293 53 I C -0.506 175.640 176.117 0.048 0.000 0.987 53 I CA -0.612 60.742 61.300 0.091 0.000 1.185 53 I CB 1.892 39.957 38.000 0.108 0.000 1.341 53 I HN 0.422 8.713 8.210 0.136 0.000 0.455 54 T N 5.859 120.428 114.554 0.026 0.000 2.654 54 T HA 0.541 5.105 4.350 0.030 -0.197 0.289 54 T C -1.799 172.897 174.700 -0.006 0.000 1.062 54 T CA -3.166 58.940 62.100 0.008 0.000 1.041 54 T CB 2.242 71.091 68.868 -0.032 0.000 1.417 54 T HN 0.421 8.685 8.240 0.040 0.000 0.510 55 A N -0.752 122.036 122.820 -0.054 0.000 2.340 55 A HA 0.202 4.621 4.320 -0.074 -0.143 0.268 55 A C 0.256 177.708 177.584 -0.219 0.000 1.100 55 A CA -0.674 51.278 52.037 -0.143 0.000 0.803 55 A CB 1.010 19.823 19.000 -0.312 0.000 1.043 55 A HN 0.341 8.464 8.150 -0.045 0.000 0.488 56 G N -0.380 108.246 108.800 -0.289 0.000 2.422 56 G HA2 -0.332 3.352 3.960 -0.460 0.000 0.218 56 G HA3 -0.332 3.038 3.960 -0.984 0.000 0.218 56 G C 1.401 175.901 174.900 -0.666 0.000 1.146 56 G CA 1.714 46.439 45.100 -0.625 0.000 0.769 56 G HN 0.301 8.510 8.290 -0.196 -0.036 0.547 57 H N -0.806 118.089 119.070 -0.292 0.000 2.545 57 H HA 0.074 4.630 4.556 -0.000 0.000 0.282 57 H C 0.603 175.964 175.328 0.054 0.000 1.020 57 H CA 0.348 56.396 56.048 -0.000 0.000 1.243 57 H CB -0.546 29.366 29.762 0.250 0.000 1.377 57 H HN 0.086 nan 8.280 nan 0.000 0.581 58 c N -0.875 117.572 118.600 -0.254 0.000 2.437 58 c HA -0.112 4.533 4.570 0.126 0.000 0.283 58 c C 0.244 174.430 174.090 0.159 0.000 1.424 58 c CA 0.306 56.661 56.329 0.043 0.000 1.782 58 c CB -0.645 41.929 42.510 0.107 0.000 1.833 58 c HN -0.357 7.561 8.230 -0.457 0.038 0.532 59 V N -3.489 116.465 119.914 0.066 0.000 3.184 59 V HA 0.248 4.438 4.120 0.117 0.000 0.308 59 V C -0.174 175.926 176.094 0.010 0.000 1.243 59 V CA -2.518 59.833 62.300 0.084 0.000 1.058 59 V CB 1.298 33.200 31.823 0.132 0.000 1.183 59 V HN -0.531 7.473 8.190 -0.036 0.164 0.471 60 N N 1.423 120.136 118.700 0.022 0.000 3.057 60 N HA -0.239 4.510 4.740 0.015 0.000 0.293 60 N C -1.507 174.014 175.510 0.019 0.000 1.072 60 N CA 0.699 53.758 53.050 0.016 0.000 0.879 60 N CB -1.668 36.826 38.487 0.010 0.000 0.905 60 N HN 0.026 8.420 8.380 0.024 0.000 0.622 61 P HA 0.101 4.540 4.420 0.032 0.000 0.271 61 P C -1.321 175.997 177.300 0.029 0.000 1.216 61 P CA -0.157 62.966 63.100 0.039 0.000 0.776 61 P CB 0.672 32.416 31.700 0.073 0.000 0.881 62 S N 1.062 116.772 115.700 0.016 0.000 2.472 62 S HA 0.070 4.546 4.470 0.009 0.000 0.303 62 S C 0.543 175.144 174.600 0.002 0.000 1.099 62 S CA -0.244 57.959 58.200 0.005 0.000 1.077 62 S CB 1.395 64.589 63.200 -0.010 0.000 1.031 62 S HN 0.117 8.433 8.310 0.011 0.000 0.487 63 G N 4.296 113.100 108.800 0.006 0.000 2.249 63 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.273 63 G HA3 -0.268 3.675 3.960 -0.027 0.000 0.273 63 G C -1.614 173.302 174.900 0.026 0.000 1.036 63 G CA 0.492 45.590 45.100 -0.003 0.000 0.824 63 G HN 0.389 8.685 8.290 0.009 0.000 0.504 64 L N -1.852 119.420 121.223 0.083 0.000 2.365 64 L HA 0.773 5.406 4.340 0.190 -0.178 0.273 64 L C -1.562 175.431 176.870 0.205 0.000 1.000 64 L CA -1.842 53.115 54.840 0.195 0.000 0.819 64 L CB 2.917 45.156 42.059 0.301 0.000 1.284 64 L HN -0.485 7.766 8.230 0.074 0.024 0.418 65 Q N -0.448 119.509 119.800 0.262 0.000 2.511 65 Q HA 0.702 5.214 4.340 0.128 -0.096 0.289 65 Q C -2.106 174.013 176.000 0.197 0.000 1.021 65 Q CA -1.577 54.327 55.803 0.168 0.000 0.785 65 Q CB 4.519 33.311 28.738 0.090 0.000 1.472 65 Q HN 0.669 9.136 8.270 0.329 0.000 0.411 66 I N -4.531 116.087 120.570 0.080 0.000 2.648 66 I HA 1.004 5.413 4.170 0.086 -0.187 0.304 66 I C -1.707 174.430 176.117 0.034 0.000 1.009 66 I CA -2.593 58.735 61.300 0.046 0.000 1.114 66 I CB 3.598 41.581 38.000 -0.027 0.000 1.293 66 I HN 0.604 8.844 8.210 0.050 0.000 0.449 67 V N 2.462 122.392 119.914 0.027 0.000 2.407 67 V HA 0.622 4.965 4.120 0.020 -0.211 0.291 67 V C -1.139 174.988 176.094 0.054 0.000 1.018 67 V CA -1.877 60.431 62.300 0.014 0.000 0.842 67 V CB 2.047 33.845 31.823 -0.042 0.000 0.996 67 V HN 0.296 8.504 8.190 0.031 0.000 0.426 68 A N 6.183 129.046 122.820 0.071 0.000 2.282 68 A HA 0.649 5.049 4.320 0.133 0.000 0.319 68 A C 0.308 177.953 177.584 0.102 0.000 1.121 68 A CA -2.155 49.947 52.037 0.108 0.000 0.836 68 A CB 2.560 21.631 19.000 0.119 0.000 1.146 68 A HN 0.588 8.772 8.150 0.057 0.000 0.494 69 G N -2.050 106.820 108.800 0.118 0.000 2.179 69 G HA2 -0.432 3.729 3.960 0.094 0.000 0.257 69 G HA3 -0.432 3.784 3.960 0.085 -0.206 0.257 69 G C -1.319 173.649 174.900 0.113 0.000 1.010 69 G CA 0.398 45.558 45.100 0.101 0.000 0.736 69 G HN 0.577 8.943 8.290 0.128 0.000 0.513 70 E N -1.478 118.824 120.200 0.170 0.000 2.242 70 E HA 0.073 4.501 4.350 0.130 0.000 0.275 70 E C -1.348 175.466 176.600 0.356 0.000 1.002 70 E CA -0.841 55.679 56.400 0.201 0.000 0.841 70 E CB 1.479 31.231 29.700 0.086 0.000 1.109 70 E HN -0.637 7.810 8.360 0.201 0.034 0.394 71 L N 4.363 125.769 121.223 0.304 0.000 2.932 71 L HA 0.376 4.918 4.340 0.336 0.000 0.168 71 L C -1.510 175.579 176.870 0.365 0.000 1.125 71 L CA 0.912 55.933 54.840 0.301 0.000 0.868 71 L CB 3.323 45.468 42.059 0.143 0.000 1.496 71 L HN -0.157 8.332 8.230 0.214 -0.132 0.519 72 D N -1.113 119.412 120.400 0.209 0.000 2.349 72 D HA 0.410 5.387 4.640 0.220 -0.205 0.232 72 D C 1.497 177.845 176.300 0.079 0.000 1.071 72 D CA -1.602 52.495 54.000 0.161 0.000 0.832 72 D CB 0.632 41.491 40.800 0.099 0.000 1.086 72 D HN -0.626 8.257 8.370 0.157 -0.418 0.504 73 M N 6.502 126.119 119.600 0.029 0.000 2.374 73 M HA -0.250 4.309 4.480 -0.129 -0.156 0.264 73 M C 0.825 177.108 176.300 -0.029 0.000 1.067 73 M CA 2.541 57.789 55.300 -0.087 0.000 1.103 73 M CB 0.050 32.529 32.600 -0.201 0.000 1.402 73 M HN 0.239 8.579 8.290 0.082 0.000 0.444 74 S N -4.233 111.472 115.700 0.009 0.000 2.556 74 S HA 0.102 4.578 4.470 0.010 0.000 0.216 74 S C -0.138 174.473 174.600 0.019 0.000 0.970 74 S CA -0.190 58.019 58.200 0.015 0.000 0.912 74 S CB 0.684 63.897 63.200 0.022 0.000 0.790 74 S HN -0.240 8.357 8.310 0.026 -0.271 0.504 75 V N 2.521 122.448 119.914 0.022 0.000 2.623 75 V HA 0.149 4.281 4.120 0.019 0.000 0.304 75 V C -1.999 174.108 176.094 0.022 0.000 1.054 75 V CA -1.619 60.695 62.300 0.023 0.000 0.882 75 V CB 2.775 34.614 31.823 0.027 0.000 1.002 75 V HN -0.697 7.348 8.190 0.025 0.160 0.424 76 N N 8.022 126.732 118.700 0.018 0.000 2.402 76 N HA -0.083 4.928 4.740 0.018 -0.260 0.259 76 N C -0.527 174.996 175.510 0.021 0.000 1.167 76 N CA 0.475 53.536 53.050 0.018 0.000 0.949 76 N CB 0.054 38.550 38.487 0.014 0.000 1.212 76 N HN 0.350 8.740 8.380 0.016 0.000 0.493 77 E N 3.892 124.108 120.200 0.026 0.000 2.474 77 E HA 0.049 4.413 4.350 0.024 0.000 0.194 77 E C 0.651 177.265 176.600 0.024 0.000 1.041 77 E CA 0.175 56.591 56.400 0.027 0.000 0.874 77 E CB -0.079 29.641 29.700 0.034 0.000 0.914 77 E HN 0.177 8.950 8.360 0.029 -0.395 0.498 78 G N -1.282 107.532 108.800 0.023 0.000 2.218 78 G HA2 -0.319 3.652 3.960 0.019 0.000 0.216 78 G HA3 -0.319 3.653 3.960 0.019 0.000 0.216 78 G C 0.169 175.084 174.900 0.025 0.000 0.994 78 G CA 0.504 45.616 45.100 0.021 0.000 0.637 78 G HN 0.053 8.575 8.290 0.024 -0.218 0.505 79 S N -1.147 114.572 115.700 0.032 0.000 2.539 79 S HA 0.134 4.625 4.470 0.035 0.000 0.221 79 S C -0.171 174.455 174.600 0.043 0.000 0.987 79 S CA -0.587 57.636 58.200 0.038 0.000 0.929 79 S CB 0.373 63.599 63.200 0.043 0.000 0.832 79 S HN 0.347 8.677 8.310 0.034 0.000 0.492 80 E N 2.494 122.716 120.200 0.037 0.000 2.384 80 E HA 0.154 4.760 4.350 0.045 -0.229 0.266 80 E C 0.078 176.695 176.600 0.029 0.000 1.012 80 E CA 0.274 56.694 56.400 0.034 0.000 0.901 80 E CB 0.183 29.895 29.700 0.020 0.000 0.967 80 E HN -0.188 8.138 8.360 0.032 0.053 0.435 81 Q N 5.006 124.827 119.800 0.034 0.000 2.320 81 Q HA 0.333 4.684 4.340 0.019 0.000 0.268 81 Q C -1.350 174.663 176.000 0.022 0.000 1.023 81 Q CA -1.187 54.632 55.803 0.027 0.000 0.744 81 Q CB 2.812 31.570 28.738 0.035 0.000 1.246 81 Q HN 0.347 8.642 8.270 0.042 0.000 0.462 82 I N 4.923 125.501 120.570 0.013 0.000 2.315 82 I HA 0.530 4.899 4.170 0.015 -0.190 0.291 82 I C -0.230 175.893 176.117 0.009 0.000 1.006 82 I CA -0.690 60.617 61.300 0.012 0.000 1.265 82 I CB 0.944 38.949 38.000 0.009 0.000 1.387 82 I HN 0.360 8.577 8.210 0.011 0.000 0.475 83 I N 7.663 128.239 120.570 0.011 0.000 2.534 83 I HA 0.377 4.545 4.170 -0.002 0.000 0.288 83 I C -0.981 175.141 176.117 0.009 0.000 1.077 83 I CA -1.509 59.792 61.300 0.001 0.000 1.051 83 I CB 3.421 41.414 38.000 -0.011 0.000 1.234 83 I HN 0.782 9.002 8.210 0.017 0.000 0.425 84 T N 3.902 118.461 114.554 0.008 0.000 2.900 84 T HA 0.077 4.578 4.350 0.044 -0.125 0.307 84 T C -0.017 174.687 174.700 0.007 0.000 1.065 84 T CA -0.636 61.477 62.100 0.022 0.000 1.105 84 T CB 0.759 69.638 68.868 0.017 0.000 0.979 84 T HN 0.490 8.731 8.240 0.002 0.000 0.544 85 V N 3.652 123.587 119.914 0.034 0.000 2.461 85 V HA -0.026 4.183 4.120 -0.028 -0.107 0.275 85 V C 0.104 176.204 176.094 0.010 0.000 1.047 85 V CA 0.235 62.544 62.300 0.014 0.000 0.955 85 V CB -0.208 31.656 31.823 0.069 0.000 0.988 85 V HN -0.090 8.141 8.190 0.069 0.000 0.471 86 S N 5.855 121.541 115.700 -0.024 0.000 2.483 86 S HA 0.060 4.527 4.470 -0.006 0.000 0.221 86 S C -0.260 174.334 174.600 -0.010 0.000 1.030 86 S CA 0.801 58.989 58.200 -0.021 0.000 0.925 86 S CB 1.559 64.733 63.200 -0.044 0.000 0.795 86 S HN 0.537 8.816 8.310 -0.051 0.000 0.511 87 K N -1.267 119.126 120.400 -0.012 0.000 2.546 87 K HA 0.422 4.887 4.320 0.026 -0.129 0.264 87 K C -2.474 174.148 176.600 0.037 0.000 0.937 87 K CA -0.985 55.311 56.287 0.015 0.000 0.833 87 K CB 4.055 36.562 32.500 0.012 0.000 1.378 87 K HN -0.780 7.453 8.250 -0.029 0.000 0.432 88 I N 1.883 122.491 120.570 0.063 0.000 2.404 88 I HA 0.458 4.824 4.170 0.083 -0.146 0.293 88 I C -0.110 176.068 176.117 0.101 0.000 0.992 88 I CA -0.997 60.354 61.300 0.086 0.000 1.149 88 I CB 2.310 40.370 38.000 0.100 0.000 1.315 88 I HN 0.322 8.568 8.210 0.060 0.000 0.446 89 I N 8.011 128.659 120.570 0.130 0.000 2.460 89 I HA 0.227 4.478 4.170 0.134 0.000 0.277 89 I C -1.838 174.433 176.117 0.256 0.000 1.057 89 I CA -1.186 60.208 61.300 0.157 0.000 1.179 89 I CB 1.072 39.134 38.000 0.103 0.000 1.329 89 I HN 0.738 9.029 8.210 0.136 0.000 0.478 90 L N 7.389 128.741 121.223 0.214 0.000 2.326 90 L HA 0.051 4.480 4.340 0.148 0.000 0.278 90 L C -0.911 176.146 176.870 0.312 0.000 1.092 90 L CA -1.032 53.919 54.840 0.185 0.000 0.810 90 L CB 1.176 43.279 42.059 0.073 0.000 1.153 90 L HN 0.195 8.527 8.230 0.169 0.000 0.439 91 H N 7.586 126.700 119.070 0.073 0.000 3.125 91 H HA -0.152 4.543 4.556 0.231 0.000 0.310 91 H C 1.279 176.676 175.328 0.115 0.000 0.980 91 H CA 1.243 57.261 56.048 -0.049 0.000 1.422 91 H CB 1.365 30.748 29.762 -0.632 0.000 1.432 91 H HN -0.027 8.314 8.280 0.101 0.000 0.577 92 E N 6.801 127.166 120.200 0.274 0.000 2.418 92 E HA -0.137 4.361 4.350 0.247 0.000 0.197 92 E C 0.048 176.831 176.600 0.305 0.000 1.026 92 E CA 1.915 58.472 56.400 0.261 0.000 0.862 92 E CB -0.272 29.532 29.700 0.174 0.000 0.799 92 E HN 0.535 8.973 8.360 0.129 0.000 0.518 93 N N -1.861 117.140 118.700 0.502 0.000 2.238 93 N HA 0.015 4.864 4.740 0.182 0.000 0.222 93 N C -0.885 174.684 175.510 0.099 0.000 1.133 93 N CA -0.521 52.686 53.050 0.262 0.000 0.854 93 N CB 0.493 39.123 38.487 0.238 0.000 1.041 93 N HN -0.635 8.288 8.380 0.974 0.042 0.510 94 F N 4.325 124.280 119.950 0.008 0.000 2.629 94 F HA -0.233 4.366 4.527 -0.189 -0.186 0.377 94 F C -0.126 175.653 175.800 -0.035 0.000 1.101 94 F CA 1.785 59.742 58.000 -0.072 0.000 1.301 94 F CB 0.561 39.566 39.000 0.008 0.000 1.062 94 F HN -0.469 7.896 8.300 0.393 0.171 0.583 95 D N 7.798 127.684 120.400 -0.856 0.000 2.414 95 D HA 0.198 4.447 4.640 -0.652 0.000 0.232 95 D C -0.329 175.234 176.300 -1.229 0.000 1.070 95 D CA -2.082 51.425 54.000 -0.822 0.000 0.839 95 D CB 1.531 42.021 40.800 -0.518 0.000 1.079 95 D HN -0.096 7.803 8.370 -0.785 0.000 0.521 96 Y N 4.878 124.634 120.300 -0.906 0.000 2.421 96 Y HA -0.276 3.791 4.550 -0.805 0.000 0.292 96 Y C -0.732 174.978 175.900 -0.317 0.000 1.136 96 Y CA 0.876 58.641 58.100 -0.559 0.000 1.255 96 Y CB -0.551 37.868 38.460 -0.068 0.000 0.991 96 Y HN 0.375 8.174 8.280 -0.802 0.000 0.552 97 N N -0.187 118.178 118.700 -0.559 0.000 2.258 97 N HA -0.067 4.559 4.740 -0.190 0.000 0.183 97 N C 0.717 175.998 175.510 -0.382 0.000 1.029 97 N CA 1.782 54.615 53.050 -0.362 0.000 0.857 97 N CB 0.926 39.170 38.487 -0.404 0.000 1.008 97 N HN -0.363 7.675 8.380 -0.875 -0.183 0.433 98 L N -3.337 117.627 121.223 -0.431 0.000 2.567 98 L HA 0.057 4.121 4.340 -0.461 0.000 0.225 98 L C -0.532 176.093 176.870 -0.409 0.000 1.119 98 L CA 0.288 54.878 54.840 -0.417 0.000 0.871 98 L CB 0.859 42.720 42.059 -0.329 0.000 1.036 98 L HN -0.471 7.816 8.230 -0.471 -0.340 0.459 99 L N -6.079 114.916 121.223 -0.381 0.000 3.898 99 L HA -0.415 3.904 4.340 -0.205 -0.102 0.407 99 L C -1.283 175.537 176.870 -0.084 0.000 1.207 99 L CA 0.001 54.726 54.840 -0.191 0.000 0.931 99 L CB -2.299 39.707 42.059 -0.088 0.000 2.014 99 L HN -0.584 7.367 8.230 -0.465 0.000 0.858 100 D N -0.897 119.391 120.400 -0.187 0.000 2.414 100 D HA -0.186 4.417 4.640 -0.062 0.000 0.242 100 D C 0.517 176.733 176.300 -0.139 0.000 1.129 100 D CA 0.911 54.833 54.000 -0.130 0.000 0.885 100 D CB 0.782 41.487 40.800 -0.157 0.000 1.198 100 D HN -0.532 7.623 8.370 -0.275 0.050 0.437 101 N N 0.938 119.541 118.700 -0.163 0.000 2.725 101 N HA -0.478 3.917 4.740 -0.574 0.000 0.251 101 N C -1.221 174.131 175.510 -0.264 0.000 1.031 101 N CA 1.419 54.178 53.050 -0.486 0.000 0.720 101 N CB -0.799 37.100 38.487 -0.980 0.000 0.930 101 N HN 0.691 9.024 8.380 -0.079 0.000 0.543 102 D N -1.009 119.382 120.400 -0.014 0.000 2.551 102 D HA 0.022 4.885 4.640 0.371 0.000 0.223 102 D C -1.660 174.606 176.300 -0.057 0.000 1.144 102 D CA -0.259 53.843 54.000 0.171 0.000 1.025 102 D CB -0.697 40.305 40.800 0.338 0.000 1.085 102 D HN -0.047 8.317 8.370 -0.010 0.000 0.506 103 I N 2.179 122.615 120.570 -0.223 0.000 2.775 103 I HA 0.378 4.634 4.170 -0.128 -0.163 0.295 103 I C -3.136 172.860 176.117 -0.202 0.000 1.287 103 I CA -1.136 60.022 61.300 -0.238 0.000 1.029 103 I CB 3.821 41.589 38.000 -0.387 0.000 1.282 103 I HN -0.400 7.621 8.210 -0.245 0.041 0.426 104 S N 5.654 121.342 115.700 -0.020 0.000 2.579 104 S HA 0.817 5.580 4.470 0.267 -0.133 0.272 104 S C -2.190 172.532 174.600 0.204 0.000 1.141 104 S CA -1.061 57.219 58.200 0.134 0.000 0.843 104 S CB 3.248 66.469 63.200 0.035 0.000 1.122 104 S HN 0.092 8.398 8.310 -0.007 0.000 0.468 105 L N 2.017 123.395 121.223 0.258 0.000 2.344 105 L HA 0.871 5.473 4.340 0.153 -0.170 0.272 105 L C -0.752 176.197 176.870 0.131 0.000 1.035 105 L CA -1.597 53.353 54.840 0.182 0.000 0.807 105 L CB 2.719 44.875 42.059 0.162 0.000 1.237 105 L HN 0.477 8.905 8.230 0.331 0.000 0.442 106 L N 0.035 121.309 121.223 0.084 0.000 2.319 106 L HA 0.554 5.034 4.340 -0.007 -0.143 0.281 106 L C -1.062 175.784 176.870 -0.040 0.000 1.005 106 L CA -1.483 53.343 54.840 -0.023 0.000 0.828 106 L CB 1.283 43.215 42.059 -0.213 0.000 1.227 106 L HN 0.580 8.873 8.230 0.106 0.000 0.415 107 K N 4.853 125.179 120.400 -0.123 0.000 2.234 107 K HA 0.428 4.455 4.320 -0.769 -0.168 0.282 107 K C -1.015 175.433 176.600 -0.254 0.000 1.039 107 K CA -0.776 55.262 56.287 -0.415 0.000 0.928 107 K CB 1.842 34.114 32.500 -0.381 0.000 1.039 107 K HN 0.270 8.492 8.250 -0.047 0.000 0.470 108 L N 5.360 126.424 121.223 -0.265 0.000 2.357 108 L HA 0.318 4.707 4.340 -0.110 -0.115 0.273 108 L C 0.623 177.416 176.870 -0.127 0.000 1.080 108 L CA -0.772 53.980 54.840 -0.147 0.000 0.803 108 L CB 0.893 42.884 42.059 -0.114 0.000 1.174 108 L HN 0.108 8.120 8.230 -0.364 0.000 0.443 109 S N -0.462 115.191 115.700 -0.078 0.000 2.481 109 S HA -0.076 4.354 4.470 -0.067 0.000 0.231 109 S C 0.420 174.984 174.600 -0.061 0.000 0.996 109 S CA 1.278 59.442 58.200 -0.061 0.000 0.942 109 S CB 0.386 63.565 63.200 -0.036 0.000 0.768 109 S HN 0.505 8.778 8.310 -0.062 0.000 0.520 110 G N 0.754 109.515 108.800 -0.065 0.000 2.708 110 G HA2 0.119 4.039 3.960 -0.066 0.000 0.289 110 G HA3 0.119 4.046 3.960 -0.055 0.000 0.289 110 G C -2.626 172.227 174.900 -0.079 0.000 1.416 110 G CA -0.689 44.371 45.100 -0.065 0.000 0.829 110 G HN -0.597 7.631 8.290 -0.064 0.024 0.480 111 S N -0.088 115.558 115.700 -0.089 0.000 2.565 111 S HA 0.012 4.687 4.470 -0.113 -0.273 0.274 111 S C 0.431 174.950 174.600 -0.135 0.000 1.309 111 S CA -0.060 58.068 58.200 -0.120 0.000 1.043 111 S CB 0.939 64.054 63.200 -0.141 0.000 0.939 111 S HN -0.074 8.186 8.310 -0.083 0.000 0.504 112 L N 4.215 125.344 121.223 -0.157 0.000 2.467 112 L HA -0.054 4.362 4.340 -0.076 -0.121 0.270 112 L C 0.862 177.536 176.870 -0.328 0.000 1.205 112 L CA 0.324 55.072 54.840 -0.152 0.000 0.828 112 L CB 1.015 43.057 42.059 -0.027 0.000 1.101 112 L HN 0.159 8.305 8.230 -0.141 0.000 0.479 113 T N 5.575 120.019 114.554 -0.183 0.000 2.733 113 T HA 0.012 4.201 4.350 -0.268 0.000 0.294 113 T C -1.394 173.285 174.700 -0.034 0.000 0.956 113 T CA -0.226 61.772 62.100 -0.170 0.000 0.987 113 T CB 0.688 69.521 68.868 -0.059 0.000 0.920 113 T HN -0.056 8.441 8.240 -0.085 -0.308 0.470 114 F N 7.062 127.019 119.950 0.011 0.000 2.399 114 F HA 0.159 4.849 4.527 0.021 -0.150 0.342 114 F C 0.072 175.880 175.800 0.013 0.000 1.106 114 F CA -1.283 56.727 58.000 0.015 0.000 1.196 114 F CB 0.724 39.732 39.000 0.014 0.000 1.163 114 F HN 0.266 8.404 8.300 -0.270 0.000 0.547 115 N N 1.710 120.548 118.700 0.229 0.000 3.449 115 N HA 0.068 4.872 4.740 0.106 0.000 0.312 115 N C -0.459 175.097 175.510 0.076 0.000 1.557 115 N CA -0.335 52.785 53.050 0.116 0.000 0.864 115 N CB 1.028 39.566 38.487 0.085 0.000 1.799 115 N HN 0.159 8.688 8.380 0.248 0.000 0.554 116 D N -3.370 117.056 120.400 0.044 0.000 2.264 116 D HA -0.152 4.496 4.640 0.013 0.000 0.208 116 D C 0.198 176.504 176.300 0.011 0.000 0.966 116 D CA 2.765 56.776 54.000 0.018 0.000 0.864 116 D CB -0.380 40.424 40.800 0.006 0.000 0.933 116 D HN 0.287 8.683 8.370 0.042 0.000 0.499 117 N N -2.726 115.991 118.700 0.030 0.000 2.236 117 N HA 0.149 4.890 4.740 0.002 0.000 0.196 117 N C -1.261 174.278 175.510 0.049 0.000 1.114 117 N CA 0.018 53.084 53.050 0.026 0.000 0.859 117 N CB 1.704 40.211 38.487 0.033 0.000 0.982 117 N HN -0.186 8.461 8.380 0.044 -0.241 0.493 118 V N -0.400 119.561 119.914 0.078 0.000 2.532 118 V HA 0.280 4.649 4.120 0.113 -0.182 0.294 118 V C -2.516 173.640 176.094 0.103 0.000 1.036 118 V CA -0.766 61.614 62.300 0.134 0.000 0.876 118 V CB 1.948 33.891 31.823 0.200 0.000 1.012 118 V HN -0.818 7.420 8.190 0.076 -0.002 0.432 119 A N 6.311 129.098 122.820 -0.054 0.000 2.605 119 A HA 0.547 4.310 4.320 -0.929 0.000 0.294 119 A C -3.741 173.647 177.584 -0.327 0.000 1.062 119 A CA -1.970 49.824 52.037 -0.406 0.000 0.682 119 A CB 2.336 21.206 19.000 -0.217 0.000 1.278 119 A HN 0.181 8.253 8.150 0.017 0.089 0.410 120 P HA 0.031 4.537 4.420 -0.093 -0.142 0.272 120 P C -1.519 175.731 177.300 -0.083 0.000 1.230 120 P CA -0.652 62.312 63.100 -0.227 0.000 0.788 120 P CB 0.758 32.279 31.700 -0.297 0.000 0.949 121 I N 0.575 121.123 120.570 -0.037 0.000 2.359 121 I HA 0.009 4.090 4.170 -0.148 0.000 0.294 121 I C -1.154 174.928 176.117 -0.058 0.000 0.987 121 I CA -1.304 59.907 61.300 -0.150 0.000 1.225 121 I CB 1.968 39.673 38.000 -0.492 0.000 1.366 121 I HN -0.204 8.016 8.210 0.016 0.000 0.466 122 A N 8.897 131.693 122.820 -0.041 0.000 2.445 122 A HA 0.061 4.387 4.320 0.011 0.000 0.242 122 A C -0.868 176.773 177.584 0.094 0.000 1.075 122 A CA -0.381 51.668 52.037 0.020 0.000 0.777 122 A CB 0.811 19.819 19.000 0.014 0.000 1.013 122 A HN 0.375 8.489 8.150 -0.060 0.000 0.493 123 L N 1.921 123.220 121.223 0.127 0.000 2.453 123 L HA 0.104 4.550 4.340 0.176 0.000 0.261 123 L C -0.827 176.067 176.870 0.041 0.000 1.179 123 L CA -2.068 52.857 54.840 0.141 0.000 0.813 123 L CB -0.319 41.839 42.059 0.165 0.000 1.110 123 L HN 0.277 8.585 8.230 0.129 0.000 0.466 124 P HA 0.055 4.138 4.420 -0.561 0.000 0.275 124 P C -1.062 176.157 177.300 -0.135 0.000 1.266 124 P CA -1.065 61.866 63.100 -0.281 0.000 0.793 124 P CB 0.808 32.389 31.700 -0.198 0.000 1.074 125 E N -0.492 119.596 120.200 -0.186 0.000 2.383 125 E HA -0.144 4.170 4.350 -0.060 0.000 0.264 125 E C 0.101 176.685 176.600 -0.028 0.000 1.050 125 E CA -0.329 56.020 56.400 -0.084 0.000 0.896 125 E CB 0.636 30.283 29.700 -0.088 0.000 0.982 125 E HN 0.082 8.254 8.360 -0.312 0.000 0.424 126 Q N 3.236 123.025 119.800 -0.018 0.000 2.283 126 Q HA -0.583 3.900 4.340 -0.018 -0.154 0.301 126 Q C 1.483 177.443 176.000 -0.067 0.000 1.063 126 Q CA 1.716 57.501 55.803 -0.030 0.000 0.952 126 Q CB -0.137 28.587 28.738 -0.023 0.000 1.166 126 Q HN 0.478 8.738 8.270 -0.016 0.000 0.381 127 G N 6.231 114.947 108.800 -0.140 0.000 2.205 127 G HA2 -0.545 3.196 3.960 -0.364 0.000 0.261 127 G HA3 -0.545 3.313 3.960 -0.170 0.000 0.261 127 G C -0.928 173.906 174.900 -0.111 0.000 0.980 127 G CA -0.111 44.867 45.100 -0.203 0.000 0.632 127 G HN 0.535 8.621 8.290 -0.160 0.108 0.533 128 H N 1.769 120.768 119.070 -0.118 0.000 2.897 128 H HA -0.103 4.401 4.556 -0.086 0.000 0.347 128 H C 0.092 175.405 175.328 -0.026 0.000 1.068 128 H CA 0.836 56.831 56.048 -0.089 0.000 1.426 128 H CB 0.888 30.560 29.762 -0.150 0.000 1.410 128 H HN -0.517 7.735 8.280 0.066 0.067 0.597 129 T N 8.973 123.115 114.554 -0.687 0.000 2.747 129 T HA 0.063 4.319 4.350 -0.157 0.000 0.301 129 T C -0.913 173.558 174.700 -0.381 0.000 0.952 129 T CA -0.444 61.425 62.100 -0.384 0.000 0.983 129 T CB 0.241 68.956 68.868 -0.255 0.000 0.930 129 T HN 0.048 7.761 8.240 -0.879 0.000 0.494 130 A N 8.559 131.385 122.820 0.009 0.000 2.483 130 A HA 0.057 4.747 4.320 0.399 -0.131 0.238 130 A C -0.741 176.888 177.584 0.075 0.000 1.070 130 A CA 0.376 52.534 52.037 0.201 0.000 0.770 130 A CB 1.274 20.408 19.000 0.223 0.000 1.008 130 A HN 0.565 8.760 8.150 0.074 0.000 0.497 135 D N 0.503 120.893 120.400 -0.017 0.000 2.414 135 D HA 0.162 4.911 4.640 -0.036 -0.131 0.242 135 D C 0.274 176.546 176.300 -0.048 0.000 1.129 135 D CA 0.277 54.259 54.000 -0.030 0.000 0.885 135 D CB 0.911 41.700 40.800 -0.018 0.000 1.198 135 D HN -0.128 8.237 8.370 -0.008 0.000 0.437 136 V N -4.029 115.841 119.914 -0.072 0.000 3.074 136 V HA 0.678 4.818 4.120 -0.097 -0.078 0.314 136 V C -2.085 173.955 176.094 -0.089 0.000 1.117 136 V CA -3.155 59.082 62.300 -0.105 0.000 1.014 136 V CB 3.651 35.374 31.823 -0.167 0.000 1.057 136 V HN 0.711 8.858 8.190 -0.071 0.000 0.438 137 I N 0.551 121.071 120.570 -0.083 0.000 2.389 137 I HA 0.589 4.925 4.170 -0.066 -0.205 0.288 137 I C -0.659 175.384 176.117 -0.123 0.000 0.999 137 I CA -1.312 59.949 61.300 -0.066 0.000 1.129 137 I CB 1.883 39.903 38.000 0.034 0.000 1.288 137 I HN 0.064 8.218 8.210 -0.094 0.000 0.444 138 V N 8.386 128.216 119.914 -0.139 0.000 2.459 138 V HA 0.780 5.040 4.120 -0.106 -0.203 0.295 138 V C -0.673 175.290 176.094 -0.217 0.000 1.029 138 V CA -1.697 60.531 62.300 -0.120 0.000 0.874 138 V CB 1.965 33.778 31.823 -0.016 0.000 0.985 138 V HN 0.641 8.759 8.190 -0.120 0.000 0.438 139 T N 1.501 115.897 114.554 -0.263 0.000 2.906 139 T HA 0.988 5.266 4.350 -0.430 -0.186 0.295 139 T C -0.993 173.528 174.700 -0.298 0.000 1.061 139 T CA -2.783 59.063 62.100 -0.424 0.000 1.000 139 T CB 3.285 71.682 68.868 -0.785 0.000 1.103 139 T HN -0.212 7.924 8.240 -0.173 0.000 0.486 140 G N 0.637 109.198 108.800 -0.399 0.000 2.313 140 G HA2 0.178 3.925 3.960 -0.355 0.000 0.296 140 G HA3 0.178 4.247 3.960 -0.092 -0.164 0.296 140 G C -2.334 172.326 174.900 -0.399 0.000 1.356 140 G CA 0.527 45.442 45.100 -0.308 0.000 0.833 140 G HN -0.021 7.982 8.290 -0.478 0.000 0.552 141 W N 0.228 121.439 121.300 -0.149 0.000 3.102 141 W HA 0.290 4.841 4.660 -0.182 0.000 0.401 141 W C 0.106 176.538 176.519 -0.146 0.000 1.070 141 W CA -1.020 56.171 57.345 -0.257 0.000 1.921 141 W CB 0.662 29.764 29.460 -0.598 0.000 1.118 141 W HN 0.544 8.860 8.180 0.226 0.000 0.647 142 G N 0.590 109.469 108.800 0.132 0.000 2.716 142 G HA2 0.101 4.258 3.960 0.175 0.000 0.251 142 G HA3 0.101 4.356 3.960 0.117 -0.225 0.251 142 G C -0.503 174.450 174.900 0.088 0.000 1.224 142 G CA -0.325 44.853 45.100 0.130 0.000 0.891 142 G HN -0.300 8.300 8.290 0.103 -0.248 0.561 143 T N -2.927 111.680 114.554 0.089 0.000 2.903 143 T HA -0.179 4.398 4.350 0.070 -0.185 0.314 143 T C 0.837 175.563 174.700 0.043 0.000 1.078 143 T CA 0.374 62.515 62.100 0.068 0.000 1.114 143 T CB 1.104 70.014 68.868 0.070 0.000 0.987 143 T HN -0.012 8.290 8.240 0.103 0.000 0.548 144 T N -3.666 110.908 114.554 0.033 0.000 3.107 144 T HA 0.223 4.821 4.350 0.013 -0.240 0.249 144 T C -0.029 174.681 174.700 0.016 0.000 1.096 144 T CA -0.229 61.882 62.100 0.019 0.000 1.012 144 T CB 0.981 69.858 68.868 0.014 0.000 0.977 144 T HN -0.129 8.135 8.240 0.039 0.000 0.527 145 S N -0.429 115.284 115.700 0.020 0.000 2.570 145 S HA 0.125 4.601 4.470 0.011 0.000 0.270 145 S C -2.214 172.395 174.600 0.016 0.000 1.149 145 S CA -0.979 57.230 58.200 0.014 0.000 0.837 145 S CB 2.542 65.749 63.200 0.011 0.000 1.124 145 S HN -0.721 7.554 8.310 0.027 0.051 0.465 146 E N 4.624 124.827 120.200 0.004 0.000 2.417 146 E HA -0.342 4.013 4.350 0.008 0.000 0.261 146 E C 1.652 178.256 176.600 0.008 0.000 1.000 146 E CA 1.453 57.852 56.400 -0.001 0.000 0.919 146 E CB 0.210 29.892 29.700 -0.030 0.000 0.955 146 E HN 0.417 8.776 8.360 -0.002 0.000 0.455 147 G N 6.281 115.094 108.800 0.022 0.000 2.155 147 G HA2 -0.418 3.563 3.960 0.035 0.000 0.257 147 G HA3 -0.418 3.553 3.960 0.018 0.000 0.257 147 G C -0.646 174.273 174.900 0.032 0.000 0.983 147 G CA -0.236 44.880 45.100 0.027 0.000 0.676 147 G HN 0.740 9.047 8.290 0.029 0.000 0.528 148 G N -0.363 108.458 108.800 0.036 0.000 2.641 148 G HA2 0.294 4.272 3.960 0.030 0.000 0.239 148 G HA3 0.294 4.332 3.960 0.031 -0.059 0.239 148 G C -1.283 173.646 174.900 0.048 0.000 1.402 148 G CA -1.057 44.064 45.100 0.036 0.000 1.046 148 G HN -0.446 7.828 8.290 0.037 0.039 0.565 152 P HA 0.325 4.785 4.420 0.067 0.000 0.282 152 P C -1.276 176.109 177.300 0.143 0.000 1.249 152 P CA -0.628 62.523 63.100 0.086 0.000 0.806 152 P CB 1.469 33.203 31.700 0.058 0.000 0.984 153 D N -0.501 119.970 120.400 0.118 0.000 2.289 153 D HA -0.079 4.631 4.640 0.117 0.000 0.207 153 D C -0.560 175.895 176.300 0.259 0.000 0.966 153 D CA 1.374 55.457 54.000 0.138 0.000 0.868 153 D CB 0.637 41.482 40.800 0.074 0.000 0.943 153 D HN 0.314 8.736 8.370 0.087 0.000 0.514 154 V N -1.639 118.387 119.914 0.187 0.000 2.407 154 V HA 0.146 4.582 4.120 0.227 -0.179 0.278 154 V C 0.445 176.528 176.094 -0.018 0.000 1.037 154 V CA -1.496 60.892 62.300 0.146 0.000 0.900 154 V CB 0.659 32.519 31.823 0.061 0.000 0.983 154 V HN -0.633 7.607 8.190 0.129 0.027 0.459 155 L N 9.075 130.173 121.223 -0.209 0.000 2.615 155 L HA -0.212 3.197 4.340 -1.550 0.000 0.284 155 L C -1.204 175.406 176.870 -0.435 0.000 1.237 155 L CA 1.141 55.479 54.840 -0.837 0.000 0.905 155 L CB 0.392 41.966 42.059 -0.808 0.000 1.149 155 L HN 0.073 8.341 8.230 0.063 0.000 0.499 156 Q N 5.795 125.325 119.800 -0.451 0.000 2.257 156 Q HA 0.721 5.119 4.340 -0.182 -0.166 0.262 156 Q C -0.526 175.294 176.000 -0.301 0.000 0.997 156 Q CA -2.081 53.564 55.803 -0.263 0.000 0.873 156 Q CB 2.806 31.435 28.738 -0.182 0.000 1.312 156 Q HN 0.004 7.919 8.270 -0.592 0.000 0.450 157 K N -0.773 119.508 120.400 -0.198 0.000 2.318 157 K HA 0.818 5.106 4.320 -0.336 -0.170 0.249 157 K C -2.197 174.338 176.600 -0.109 0.000 0.942 157 K CA -1.939 54.218 56.287 -0.217 0.000 0.808 157 K CB 4.020 36.450 32.500 -0.118 0.000 1.189 157 K HN 0.726 8.901 8.250 -0.125 0.000 0.428 158 V N 1.609 121.461 119.914 -0.103 0.000 2.888 158 V HA 0.417 4.517 4.120 -0.034 0.000 0.309 158 V C -2.265 173.803 176.094 -0.043 0.000 1.114 158 V CA -2.020 60.249 62.300 -0.051 0.000 0.940 158 V CB 4.185 35.985 31.823 -0.038 0.000 1.021 158 V HN 0.285 8.388 8.190 -0.145 0.000 0.426 159 T N 10.041 124.582 114.554 -0.022 0.000 2.799 159 T HA 0.794 5.351 4.350 -0.031 -0.225 0.286 159 T C -1.190 173.496 174.700 -0.024 0.000 0.973 159 T CA -0.271 61.816 62.100 -0.022 0.000 1.035 159 T CB 1.057 69.921 68.868 -0.006 0.000 0.932 159 T HN 0.195 8.426 8.240 -0.015 0.000 0.469 160 V N -0.005 119.886 119.914 -0.038 0.000 3.049 160 V HA 0.690 4.798 4.120 -0.020 0.000 0.309 160 V C -2.978 173.090 176.094 -0.045 0.000 1.148 160 V CA -4.248 58.032 62.300 -0.033 0.000 0.990 160 V CB 2.121 33.928 31.823 -0.027 0.000 1.039 160 V HN 0.632 8.791 8.190 -0.051 0.000 0.430 161 P HA 0.305 4.782 4.420 -0.036 -0.079 0.279 161 P C -0.897 176.378 177.300 -0.041 0.000 1.252 161 P CA -1.374 61.707 63.100 -0.033 0.000 0.811 161 P CB 1.258 32.947 31.700 -0.019 0.000 1.035 162 L N -0.422 120.775 121.223 -0.043 0.000 2.417 162 L HA 0.224 4.673 4.340 -0.054 -0.142 0.268 162 L C 0.415 177.275 176.870 -0.017 0.000 1.158 162 L CA -0.242 54.573 54.840 -0.040 0.000 0.819 162 L CB 0.773 42.809 42.059 -0.038 0.000 1.112 162 L HN -0.117 8.090 8.230 -0.040 0.000 0.458 163 V N 3.016 122.926 119.914 -0.006 0.000 2.448 163 V HA 0.145 4.264 4.120 -0.002 0.000 0.295 163 V C -0.640 175.460 176.094 0.010 0.000 1.025 163 V CA -1.332 60.970 62.300 0.003 0.000 0.859 163 V CB 1.927 33.757 31.823 0.012 0.000 0.988 163 V HN 0.341 8.429 8.190 -0.005 0.099 0.431 164 S N 6.971 122.676 115.700 0.008 0.000 2.566 164 S HA -0.115 4.364 4.470 0.015 0.000 0.280 164 S C 1.095 175.709 174.600 0.023 0.000 1.343 164 S CA 0.188 58.397 58.200 0.014 0.000 1.036 164 S CB 1.312 64.519 63.200 0.011 0.000 0.866 164 S HN 0.478 8.790 8.310 0.004 0.000 0.526 165 D N 2.788 123.204 120.400 0.026 0.000 2.123 165 D HA -0.352 4.312 4.640 0.040 0.000 0.196 165 D C 2.250 178.573 176.300 0.039 0.000 0.992 165 D CA 3.685 57.705 54.000 0.034 0.000 0.833 165 D CB -0.570 40.245 40.800 0.026 0.000 0.954 165 D HN 0.493 8.878 8.370 0.025 0.000 0.455 166 E N -1.461 118.756 120.200 0.029 0.000 2.072 166 E HA -0.250 4.118 4.350 0.030 0.000 0.191 166 E C 2.391 179.003 176.600 0.020 0.000 0.985 166 E CA 2.900 59.315 56.400 0.025 0.000 0.801 166 E CB -0.426 29.285 29.700 0.017 0.000 0.750 166 E HN 0.182 8.557 8.360 0.025 0.000 0.452 167 D N -0.042 120.366 120.400 0.012 0.000 2.117 167 D HA -0.170 4.465 4.640 -0.009 0.000 0.197 167 D C 2.661 178.962 176.300 0.002 0.000 0.987 167 D CA 3.363 57.362 54.000 -0.002 0.000 0.829 167 D CB 0.032 40.827 40.800 -0.009 0.000 0.961 167 D HN -0.355 8.022 8.370 0.013 0.000 0.460 168 c N 0.944 119.563 118.600 0.033 0.000 2.422 168 c HA -0.245 4.502 4.570 0.043 -0.151 0.279 168 c C 1.846 176.008 174.090 0.121 0.000 1.305 168 c CA 1.940 58.316 56.329 0.078 0.000 1.757 168 c CB -1.450 41.129 42.510 0.116 0.000 1.962 168 c HN 0.086 8.337 8.230 0.035 0.000 0.499 169 R N -1.072 119.489 120.500 0.101 0.000 2.148 169 R HA -0.274 4.171 4.340 0.176 0.000 0.227 169 R C 1.844 178.184 176.300 0.068 0.000 1.103 169 R CA 2.605 58.772 56.100 0.113 0.000 0.983 169 R CB -0.312 30.035 30.300 0.079 0.000 0.874 169 R HN -0.089 8.206 8.270 0.077 0.021 0.451 170 A N -2.639 120.191 122.820 0.016 0.000 2.019 170 A HA -0.178 4.140 4.320 -0.004 0.000 0.219 170 A C 1.058 178.606 177.584 -0.061 0.000 1.164 170 A CA 2.241 54.266 52.037 -0.021 0.000 0.644 170 A CB -0.730 18.245 19.000 -0.043 0.000 0.805 170 A HN -0.576 7.563 8.150 0.012 0.019 0.449 171 D N -1.267 119.063 120.400 -0.117 0.000 2.162 171 D HA -0.130 4.323 4.640 -0.312 0.000 0.205 171 D C 0.873 177.097 176.300 -0.126 0.000 0.964 171 D CA 2.213 56.037 54.000 -0.294 0.000 0.847 171 D CB 0.602 41.038 40.800 -0.606 0.000 0.988 171 D HN -0.318 7.861 8.370 -0.080 0.143 0.480 172 Y N -1.394 119.003 120.300 0.162 0.000 2.609 172 Y HA 0.069 4.769 4.550 0.250 0.000 0.281 172 Y C 1.335 177.319 175.900 0.139 0.000 1.132 172 Y CA 0.644 58.877 58.100 0.221 0.000 1.264 172 Y CB 0.645 39.306 38.460 0.335 0.000 1.325 172 Y HN -0.486 7.897 8.280 0.171 0.000 0.514 173 A N 0.894 123.758 122.820 0.072 0.000 1.865 173 A HA -0.362 3.996 4.320 0.063 0.000 0.217 173 A C 0.874 178.490 177.584 0.053 0.000 1.191 173 A CA 2.495 54.566 52.037 0.057 0.000 0.623 173 A CB -0.850 18.170 19.000 0.034 0.000 0.826 173 A HN 0.339 8.523 8.150 0.058 0.000 0.444 174 D N -5.068 115.353 120.400 0.035 0.000 2.349 174 D HA -0.108 4.541 4.640 0.015 0.000 0.215 174 D C 0.221 176.530 176.300 0.014 0.000 1.016 174 D CA 1.102 55.111 54.000 0.015 0.000 0.870 174 D CB -0.504 40.291 40.800 -0.008 0.000 0.917 174 D HN 0.353 8.742 8.370 0.032 0.000 0.524 175 E N -1.498 118.732 120.200 0.050 0.000 2.158 175 E HA -0.094 4.238 4.350 -0.030 0.000 0.191 175 E C -0.478 176.220 176.600 0.164 0.000 0.982 175 E CA 0.806 57.240 56.400 0.057 0.000 0.823 175 E CB 0.819 30.581 29.700 0.105 0.000 0.766 175 E HN -0.460 7.882 8.360 0.071 0.060 0.468 176 I N 1.024 121.703 120.570 0.181 0.000 2.291 176 I HA 0.060 4.369 4.170 0.231 0.000 0.290 176 I C -0.772 175.392 176.117 0.078 0.000 1.050 176 I CA -2.371 59.031 61.300 0.171 0.000 1.245 176 I CB -1.537 36.559 38.000 0.161 0.000 1.405 176 I HN -0.793 7.513 8.210 0.160 0.000 0.478 177 L N 6.908 128.160 121.223 0.047 0.000 2.421 177 L HA 0.194 4.526 4.340 -0.013 0.000 0.263 177 L C 1.360 178.176 176.870 -0.089 0.000 1.122 177 L CA -0.669 54.158 54.840 -0.022 0.000 0.804 177 L CB 0.655 42.690 42.059 -0.041 0.000 1.150 177 L HN -0.740 7.539 8.230 0.082 0.000 0.457 178 D N 0.290 120.615 120.400 -0.125 0.000 2.182 178 D HA -0.232 4.558 4.640 -0.118 -0.221 0.201 178 D C 0.446 176.355 176.300 -0.651 0.000 0.986 178 D CA 2.699 56.572 54.000 -0.212 0.000 0.847 178 D CB -0.187 40.580 40.800 -0.054 0.000 0.942 178 D HN 0.317 8.637 8.370 -0.083 0.000 0.467 179 S N -6.233 109.010 115.700 -0.762 0.000 2.660 179 S HA -0.115 3.154 4.470 -2.002 0.000 0.223 179 S C -0.377 174.004 174.600 -0.365 0.000 0.963 179 S CA 1.011 58.617 58.200 -0.990 0.000 0.932 179 S CB -0.850 62.015 63.200 -0.558 0.000 0.775 179 S HN -0.259 7.746 8.310 -0.473 0.021 0.531 180 M N 0.857 120.327 119.600 -0.217 0.000 2.598 180 M HA 0.716 5.342 4.480 -0.004 -0.148 0.317 180 M C -0.653 175.621 176.300 -0.043 0.000 1.201 180 M CA -0.265 55.003 55.300 -0.052 0.000 0.971 180 M CB 3.870 36.480 32.600 0.016 0.000 1.657 180 M HN -0.534 7.407 8.290 -0.242 0.203 0.470 181 I N 1.291 121.875 120.570 0.024 0.000 2.582 181 I HA 0.402 4.581 4.170 0.015 0.000 0.292 181 I C -2.449 173.713 176.117 0.075 0.000 1.066 181 I CA -2.011 59.311 61.300 0.035 0.000 1.053 181 I CB 4.500 42.521 38.000 0.036 0.000 1.241 181 I HN 0.616 8.862 8.210 0.059 0.000 0.421 182 c N 7.256 125.883 118.600 0.046 0.000 2.358 182 c HA 1.005 5.849 4.570 0.114 -0.205 0.342 182 c C -1.043 173.079 174.090 0.054 0.000 1.234 182 c CA -1.915 54.458 56.329 0.073 0.000 1.969 182 c CB 1.343 43.886 42.510 0.055 0.000 2.346 182 c HN 0.459 8.706 8.230 0.027 0.000 0.525 183 A N 2.447 125.333 122.820 0.109 0.000 2.488 183 A HA 1.000 5.461 4.320 -0.004 -0.144 0.298 183 A C -2.165 175.469 177.584 0.083 0.000 1.044 183 A CA -1.339 50.716 52.037 0.031 0.000 0.693 183 A CB 3.325 22.249 19.000 -0.127 0.000 1.272 183 A HN 0.613 8.887 8.150 0.206 0.000 0.402 184 G N 0.659 109.481 108.800 0.036 0.000 2.328 184 G HA2 0.112 4.095 3.960 0.040 0.000 0.299 184 G HA3 0.112 4.105 3.960 0.056 0.000 0.299 184 G C -1.696 173.212 174.900 0.014 0.000 1.435 184 G CA 0.421 45.545 45.100 0.039 0.000 0.865 184 G HN -0.182 8.115 8.290 0.012 0.000 0.601 185 V N -4.174 115.746 119.914 0.010 0.000 2.988 185 V HA 0.254 4.371 4.120 -0.005 0.000 0.223 185 V C -0.039 176.050 176.094 -0.008 0.000 1.144 185 V CA 0.355 62.654 62.300 -0.001 0.000 1.242 185 V CB 0.478 32.300 31.823 -0.001 0.000 1.073 185 V HN 0.321 8.521 8.190 0.017 0.000 0.508 186 G N -2.189 106.615 108.800 0.006 0.000 2.537 186 G HA2 -0.063 3.912 3.960 0.025 0.000 0.297 186 G HA3 -0.063 3.989 3.960 0.023 -0.078 0.297 186 G C -0.249 174.659 174.900 0.014 0.000 1.310 186 G CA -0.816 44.295 45.100 0.018 0.000 1.027 186 G HN -0.528 7.762 8.290 0.001 0.000 0.505 187 G N -2.259 106.551 108.800 0.017 0.000 2.195 187 G HA2 -0.330 3.636 3.960 0.011 0.000 0.224 187 G HA3 -0.330 3.635 3.960 0.009 0.000 0.224 187 G C -1.752 173.155 174.900 0.012 0.000 0.990 187 G CA 0.243 45.350 45.100 0.012 0.000 0.639 187 G HN 0.005 8.195 8.290 0.022 0.113 0.514 188 K N 0.162 120.572 120.400 0.017 0.000 2.578 188 K HA 0.755 5.323 4.320 0.011 -0.242 0.250 188 K C -2.266 174.353 176.600 0.032 0.000 0.955 188 K CA -1.243 55.054 56.287 0.016 0.000 0.825 188 K CB 3.055 35.561 32.500 0.009 0.000 1.151 188 K HN -0.493 7.707 8.250 0.021 0.063 0.432 189 D N 2.460 122.881 120.400 0.035 0.000 2.755 189 D HA 0.229 4.921 4.640 0.088 0.000 0.277 189 D C -1.539 174.794 176.300 0.056 0.000 1.261 189 D CA -0.682 53.355 54.000 0.062 0.000 0.759 189 D CB 3.434 44.267 40.800 0.056 0.000 1.279 189 D HN 0.003 8.387 8.370 0.023 0.000 0.420 190 S N -1.179 114.570 115.700 0.081 0.000 2.655 190 S HA 0.278 4.861 4.470 0.043 -0.088 0.265 190 S C -1.476 173.140 174.600 0.028 0.000 1.240 190 S CA -0.307 57.924 58.200 0.052 0.000 0.986 190 S CB 0.934 64.173 63.200 0.064 0.000 0.985 190 S HN 0.201 8.585 8.310 0.123 0.000 0.562 191 c N -0.817 117.806 118.600 0.038 0.000 3.276 191 c HA 0.265 4.857 4.570 0.037 0.000 0.370 191 c C -1.257 172.879 174.090 0.077 0.000 1.624 191 c CA -0.295 56.062 56.329 0.047 0.000 1.179 191 c CB 3.075 45.610 42.510 0.041 0.000 1.909 191 c HN 0.147 8.669 8.230 0.047 -0.264 0.434 192 Q N 1.850 121.703 119.800 0.089 0.000 2.263 192 Q HA -0.122 4.297 4.340 0.131 0.000 0.289 192 Q C 1.175 177.267 176.000 0.152 0.000 1.061 192 Q CA 1.902 57.779 55.803 0.123 0.000 0.927 192 Q CB 0.136 28.946 28.738 0.119 0.000 1.154 192 Q HN 0.740 9.056 8.270 0.076 0.000 0.378 193 G N 4.922 113.830 108.800 0.180 0.000 2.194 193 G HA2 -0.350 3.727 3.960 0.195 0.000 0.236 193 G HA3 -0.350 3.763 3.960 0.255 0.000 0.236 193 G C -0.499 174.561 174.900 0.266 0.000 0.987 193 G CA 0.555 45.791 45.100 0.226 0.000 0.635 193 G HN 0.733 9.130 8.290 0.178 0.000 0.520 194 D N 0.267 120.776 120.400 0.182 0.000 2.367 194 D HA 0.039 4.796 4.640 0.196 0.000 0.207 194 D C -0.040 176.338 176.300 0.131 0.000 1.034 194 D CA 0.931 55.024 54.000 0.155 0.000 0.861 194 D CB 0.907 41.764 40.800 0.095 0.000 0.943 194 D HN -0.035 8.355 8.370 0.154 0.072 0.515 195 S N -0.764 115.019 115.700 0.139 0.000 2.599 195 S HA -0.367 4.320 4.470 0.154 -0.125 0.303 195 S C 1.139 175.781 174.600 0.070 0.000 1.267 195 S CA 2.717 61.006 58.200 0.148 0.000 1.055 195 S CB -0.206 63.163 63.200 0.281 0.000 0.790 195 S HN -0.106 8.298 8.310 0.156 0.000 0.500 196 G N 5.211 114.043 108.800 0.054 0.000 2.253 196 G HA2 -0.433 3.612 3.960 0.020 0.000 0.251 196 G HA3 -0.433 3.656 3.960 0.026 -0.113 0.251 196 G C -0.385 174.568 174.900 0.089 0.000 0.998 196 G CA 0.388 45.513 45.100 0.041 0.000 0.621 196 G HN 0.489 8.721 8.290 0.078 0.105 0.524 197 G N 0.699 109.568 108.800 0.115 0.000 2.588 197 G HA2 0.422 4.464 3.960 0.137 0.000 0.281 197 G HA3 0.422 4.459 3.960 0.128 0.000 0.281 197 G C -2.764 172.222 174.900 0.143 0.000 1.236 197 G CA -2.143 43.036 45.100 0.132 0.000 0.969 197 G HN -0.352 7.917 8.290 0.113 0.089 0.504 198 P HA 0.260 4.887 4.420 0.117 -0.137 0.288 198 P C -1.804 175.538 177.300 0.070 0.000 1.267 198 P CA -1.078 62.098 63.100 0.126 0.000 0.815 198 P CB 1.710 33.542 31.700 0.220 0.000 0.989 199 L N 3.234 124.463 121.223 0.009 0.000 2.280 199 L HA 0.500 4.913 4.340 -0.134 -0.153 0.287 199 L C -2.219 174.557 176.870 -0.158 0.000 1.023 199 L CA -1.684 53.073 54.840 -0.138 0.000 0.819 199 L CB 2.470 44.312 42.059 -0.361 0.000 1.212 199 L HN 0.242 8.493 8.230 0.036 0.000 0.420 200 A N 5.860 128.586 122.820 -0.157 0.000 2.288 200 A HA 0.964 5.273 4.320 -0.304 -0.172 0.320 200 A C -1.998 175.416 177.584 -0.283 0.000 1.217 200 A CA -2.125 49.779 52.037 -0.222 0.000 0.840 200 A CB 3.092 22.043 19.000 -0.081 0.000 1.179 200 A HN 0.644 8.719 8.150 -0.124 0.000 0.504 201 A N 3.123 125.616 122.820 -0.545 0.000 2.309 201 A HA 0.494 4.643 4.320 -0.285 0.000 0.317 201 A C -1.414 175.899 177.584 -0.451 0.000 1.134 201 A CA -2.067 49.664 52.037 -0.511 0.000 0.866 201 A CB 3.187 21.816 19.000 -0.618 0.000 1.329 201 A HN 0.178 7.869 8.150 -0.766 0.000 0.477 202 S N -4.210 111.405 115.700 -0.142 0.000 3.088 202 S HA 0.483 5.230 4.470 0.071 -0.234 0.249 202 S C 0.797 175.472 174.600 0.124 0.000 0.877 202 S CA -0.024 58.192 58.200 0.026 0.000 1.184 202 S CB 0.977 64.182 63.200 0.008 0.000 1.170 202 S HN 0.746 9.003 8.310 -0.089 0.000 0.603 203 D N 1.538 122.056 120.400 0.196 0.000 2.350 203 D HA -0.258 4.453 4.640 0.118 0.000 0.216 203 D C 0.697 177.098 176.300 0.167 0.000 0.968 203 D CA 2.304 56.414 54.000 0.183 0.000 0.894 203 D CB -0.791 40.139 40.800 0.217 0.000 0.909 203 D HN 0.524 9.025 8.370 0.219 0.000 0.520 204 T N -5.525 109.126 114.554 0.162 0.000 3.129 204 T HA 0.032 4.393 4.350 0.019 0.000 0.251 204 T C 1.392 176.108 174.700 0.027 0.000 1.117 204 T CA -0.113 62.003 62.100 0.027 0.000 1.034 204 T CB 0.264 69.046 68.868 -0.143 0.000 0.968 204 T HN -0.341 8.009 8.240 0.266 0.049 0.526 205 G N 1.986 110.819 108.800 0.056 0.000 2.175 205 G HA2 -0.304 3.679 3.960 0.037 0.000 0.244 205 G HA3 -0.304 3.670 3.960 0.023 0.000 0.244 205 G C -1.016 173.907 174.900 0.038 0.000 0.982 205 G CA -0.237 44.885 45.100 0.037 0.000 0.641 205 G HN -0.250 7.997 8.290 0.082 0.092 0.527 206 S N -1.712 114.027 115.700 0.065 0.000 2.556 206 S HA 0.249 4.744 4.470 0.042 0.000 0.271 206 S C -1.358 173.312 174.600 0.116 0.000 1.135 206 S CA -1.166 57.072 58.200 0.063 0.000 0.858 206 S CB 2.548 65.770 63.200 0.036 0.000 1.114 206 S HN -0.410 7.892 8.310 0.093 0.064 0.468 207 T N 5.268 119.861 114.554 0.065 0.000 2.901 207 T HA 0.464 5.005 4.350 -0.028 -0.208 0.301 207 T C -0.784 173.953 174.700 0.061 0.000 1.012 207 T CA 1.244 63.353 62.100 0.016 0.000 1.135 207 T CB 0.398 69.268 68.868 0.004 0.000 0.936 207 T HN 0.206 8.473 8.240 0.045 0.000 0.539 208 Y N 2.214 122.459 120.300 -0.093 0.000 2.625 208 Y HA 0.464 5.039 4.550 -0.135 -0.106 0.338 208 Y C -2.963 172.867 175.900 -0.118 0.000 1.123 208 Y CA -2.420 55.615 58.100 -0.109 0.000 1.046 208 Y CB 2.158 40.571 38.460 -0.079 0.000 1.299 208 Y HN 0.288 8.366 8.280 -0.336 0.000 0.464 209 L N 1.317 122.547 121.223 0.011 0.000 2.342 209 L HA 0.128 4.368 4.340 -0.165 0.000 0.285 209 L C -1.010 175.912 176.870 0.087 0.000 1.095 209 L CA -0.452 54.364 54.840 -0.041 0.000 0.843 209 L CB 0.467 42.532 42.059 0.011 0.000 1.201 209 L HN 0.000 8.301 8.230 0.118 0.000 0.445 210 A N 6.651 129.438 122.820 -0.054 0.000 2.063 210 A HA 0.386 4.853 4.320 0.245 0.000 0.211 210 A C -0.863 176.762 177.584 0.068 0.000 1.177 210 A CA 0.800 52.873 52.037 0.060 0.000 0.759 210 A CB 1.920 20.872 19.000 -0.080 0.000 0.857 210 A HN 0.527 8.573 8.150 -0.173 0.000 0.468 211 G N -4.148 104.665 108.800 0.022 0.000 2.692 211 G HA2 0.720 4.994 3.960 0.139 0.000 0.291 211 G HA3 0.720 4.698 3.960 0.030 0.000 0.291 211 G C -2.940 172.055 174.900 0.159 0.000 1.423 211 G CA -0.242 44.911 45.100 0.089 0.000 0.843 211 G HN -0.574 7.705 8.290 -0.019 0.000 0.486 212 I N -0.231 120.487 120.570 0.248 0.000 2.466 212 I HA 0.599 5.085 4.170 0.206 -0.193 0.289 212 I C -0.402 175.874 176.117 0.265 0.000 1.026 212 I CA -1.470 59.965 61.300 0.225 0.000 1.078 212 I CB 3.663 41.750 38.000 0.146 0.000 1.249 212 I HN -0.068 8.301 8.210 0.265 0.000 0.429 213 V N 6.717 126.766 119.914 0.225 0.000 2.557 213 V HA -0.293 3.577 4.120 -0.416 0.000 0.301 213 V C -0.827 175.268 176.094 0.001 0.000 1.026 213 V CA 1.835 64.110 62.300 -0.042 0.000 1.137 213 V CB -1.247 30.586 31.823 0.018 0.000 0.917 213 V HN 0.256 8.585 8.190 0.231 0.000 0.484 214 S N 7.467 123.092 115.700 -0.126 0.000 3.526 214 S HA 0.216 4.947 4.470 0.435 0.000 0.222 214 S C -0.814 173.889 174.600 0.173 0.000 1.001 214 S CA 0.586 58.892 58.200 0.176 0.000 0.831 214 S CB 2.412 65.731 63.200 0.198 0.000 0.941 214 S HN 0.242 8.283 8.310 -0.448 0.000 0.585 215 W N -3.264 117.929 121.300 -0.178 0.000 2.959 215 W HA 0.259 4.830 4.660 -0.149 0.000 0.358 215 W C -2.716 173.700 176.519 -0.171 0.000 1.228 215 W CA -0.777 56.463 57.345 -0.175 0.000 1.183 215 W CB 0.837 30.181 29.460 -0.193 0.000 1.467 215 W HN 0.018 7.949 8.180 -0.415 0.000 0.578 216 G N -3.371 105.568 108.800 0.231 0.000 2.506 216 G HA2 0.047 3.985 3.960 -0.037 0.000 0.292 216 G HA3 0.047 4.054 3.960 0.078 0.000 0.292 216 G C -2.813 172.331 174.900 0.408 0.000 1.425 216 G CA 0.263 45.466 45.100 0.171 0.000 0.788 216 G HN -0.034 8.474 8.290 0.363 0.000 0.490 217 Y N 4.011 124.524 120.300 0.356 0.000 2.504 217 Y HA -0.038 4.592 4.550 0.132 0.000 0.351 217 Y C -0.090 175.842 175.900 0.054 0.000 0.988 217 Y CA -1.721 56.474 58.100 0.159 0.000 1.239 217 Y CB -0.197 38.254 38.460 -0.015 0.000 1.128 217 Y HN -0.333 8.402 8.280 0.758 0.000 0.525 218 G N 7.229 115.951 108.800 -0.131 0.000 2.564 218 G HA2 -0.434 3.447 3.960 -0.131 0.000 0.273 218 G HA3 -0.434 3.408 3.960 -0.398 -0.120 0.273 218 G C -1.984 172.876 174.900 -0.066 0.000 1.242 218 G CA -0.134 44.841 45.100 -0.210 0.000 0.951 218 G HN -0.138 8.186 8.290 0.058 0.000 0.564 219 c N 1.176 119.735 118.600 -0.070 0.000 2.686 219 c HA 0.238 4.948 4.570 0.015 -0.131 0.318 219 c C -0.352 173.736 174.090 -0.005 0.000 1.160 219 c CA -0.784 55.540 56.329 -0.009 0.000 1.396 219 c CB 2.004 44.517 42.510 0.004 0.000 1.924 219 c HN -0.308 8.136 8.230 -0.110 -0.280 0.471 220 A N 1.364 124.202 122.820 0.029 0.000 2.861 220 A HA -0.449 3.899 4.320 0.045 0.000 0.261 220 A C -0.879 176.726 177.584 0.036 0.000 1.351 220 A CA 1.145 53.202 52.037 0.033 0.000 0.904 220 A CB -0.693 18.318 19.000 0.019 0.000 1.076 220 A HN 0.771 9.296 8.150 0.044 -0.348 0.729 221 R N -2.132 118.398 120.500 0.050 0.000 2.594 221 R HA 0.084 4.448 4.340 0.040 0.000 0.272 221 R C -2.119 174.252 176.300 0.118 0.000 1.074 221 R CA -2.491 53.655 56.100 0.077 0.000 1.105 221 R CB 0.106 30.450 30.300 0.072 0.000 1.008 221 R HN -0.152 8.099 8.270 0.049 0.049 0.472 222 P HA -0.468 4.134 4.420 0.012 -0.174 0.264 222 P C 0.279 177.564 177.300 -0.025 0.000 1.193 222 P CA 0.972 64.092 63.100 0.032 0.000 0.763 222 P CB -0.481 31.233 31.700 0.024 0.000 0.810 223 G N 1.210 109.928 108.800 -0.136 0.000 2.184 223 G HA2 -0.385 3.393 3.960 -0.302 0.000 0.264 223 G HA3 -0.385 3.284 3.960 -0.485 0.000 0.264 223 G C -1.084 173.401 174.900 -0.693 0.000 0.975 223 G CA 0.386 45.252 45.100 -0.389 0.000 0.642 223 G HN -0.021 8.216 8.290 -0.087 0.000 0.536 224 Y N -0.035 120.234 120.300 -0.052 0.000 2.705 224 Y HA 0.311 4.703 4.550 -0.264 0.000 0.355 224 Y C -2.340 173.604 175.900 0.072 0.000 1.039 224 Y CA -2.809 55.254 58.100 -0.061 0.000 1.233 224 Y CB 0.255 38.754 38.460 0.066 0.000 1.103 224 Y HN -0.683 7.533 8.280 -0.000 0.063 0.624 228 V N 0.646 120.166 119.914 -0.657 0.000 2.555 228 V HA 0.631 4.687 4.120 -0.344 -0.142 0.302 228 V C -1.448 174.205 176.094 -0.736 0.000 1.038 228 V CA -2.449 59.388 62.300 -0.773 0.000 0.887 228 V CB 2.429 33.202 31.823 -1.750 0.000 0.991 228 V HN 0.268 8.000 8.190 -0.763 0.000 0.434 229 Y N 3.780 123.932 120.300 -0.246 0.000 2.512 229 Y HA 0.490 5.154 4.550 -0.048 -0.143 0.348 229 Y C 0.053 175.942 175.900 -0.018 0.000 0.990 229 Y CA -2.181 55.870 58.100 -0.082 0.000 1.033 229 Y CB 4.266 42.699 38.460 -0.046 0.000 1.259 229 Y HN 0.707 8.999 8.280 0.019 0.000 0.461 230 T N 5.167 119.832 114.554 0.186 0.000 2.853 230 T HA -0.125 4.314 4.350 0.148 0.000 0.298 230 T C -1.211 173.602 174.700 0.189 0.000 0.978 230 T CA 2.010 64.213 62.100 0.172 0.000 1.152 230 T CB 0.522 69.481 68.868 0.153 0.000 0.914 230 T HN 0.343 8.692 8.240 0.182 0.000 0.539 231 E N 7.865 128.157 120.200 0.154 0.000 2.052 231 E HA 0.075 4.668 4.350 0.169 -0.142 0.283 231 E C 1.087 177.850 176.600 0.272 0.000 1.071 231 E CA -1.234 55.272 56.400 0.176 0.000 0.851 231 E CB 0.649 30.415 29.700 0.110 0.000 1.066 231 E HN 0.217 8.640 8.360 0.104 0.000 0.396 232 V N 8.468 128.535 119.914 0.255 0.000 2.490 232 V HA -0.397 3.909 4.120 0.310 0.000 0.250 232 V C 1.381 177.630 176.094 0.259 0.000 1.061 232 V CA 3.677 66.138 62.300 0.269 0.000 1.064 232 V CB -0.628 31.326 31.823 0.218 0.000 0.670 232 V HN 0.123 8.444 8.190 0.219 0.000 0.461 233 S N 0.204 116.051 115.700 0.246 0.000 2.474 233 S HA -0.227 4.317 4.470 0.124 0.000 0.235 233 S C 1.857 176.483 174.600 0.043 0.000 0.997 233 S CA 2.658 60.945 58.200 0.145 0.000 0.949 233 S CB -1.055 62.223 63.200 0.129 0.000 0.766 233 S HN 0.388 8.840 8.310 0.273 0.022 0.517 234 Y N 0.979 121.242 120.300 -0.061 0.000 2.561 234 Y HA -0.094 4.370 4.550 -0.143 0.000 0.291 234 Y C 1.586 177.286 175.900 -0.333 0.000 1.141 234 Y CA 1.697 59.654 58.100 -0.237 0.000 1.303 234 Y CB 0.218 38.441 38.460 -0.395 0.000 1.015 234 Y HN -0.463 8.026 8.280 0.404 0.034 0.547 235 H N -3.864 115.351 119.070 0.242 0.000 2.916 235 H HA 0.226 4.946 4.556 0.274 0.000 0.262 235 H C 0.176 175.655 175.328 0.251 0.000 1.178 235 H CA -0.117 56.081 56.048 0.250 0.000 1.090 235 H CB 1.939 31.818 29.762 0.195 0.000 1.657 235 H HN -0.058 8.157 8.280 0.196 0.182 0.601 236 V N 3.036 123.091 119.914 0.234 0.000 2.295 236 V HA -0.510 3.703 4.120 0.156 0.000 0.246 236 V C 1.409 177.580 176.094 0.128 0.000 1.049 236 V CA 4.601 66.995 62.300 0.156 0.000 1.024 236 V CB -0.664 31.215 31.823 0.094 0.000 0.648 236 V HN -0.461 7.940 8.190 0.179 -0.103 0.447 237 D N -0.482 119.997 120.400 0.132 0.000 2.144 237 D HA -0.254 4.414 4.640 0.047 0.000 0.199 237 D C 2.191 178.554 176.300 0.105 0.000 0.984 237 D CA 3.341 57.396 54.000 0.092 0.000 0.834 237 D CB -0.486 40.362 40.800 0.081 0.000 0.955 237 D HN -0.331 8.408 8.370 0.133 -0.289 0.465 238 W N 0.753 122.079 121.300 0.043 0.000 2.355 238 W HA -0.322 4.328 4.660 -0.016 0.000 0.309 238 W C 1.553 178.038 176.519 -0.057 0.000 1.206 238 W CA 3.348 60.702 57.345 0.015 0.000 1.284 238 W CB 0.109 29.635 29.460 0.111 0.000 1.145 238 W HN -0.516 7.907 8.180 0.405 0.000 0.502 239 I N -1.486 119.157 120.570 0.121 0.000 2.179 239 I HA -0.748 3.190 4.170 -0.386 0.000 0.242 239 I C 1.904 177.765 176.117 -0.426 0.000 1.088 239 I CA 4.187 65.353 61.300 -0.224 0.000 1.357 239 I CB -0.172 37.735 38.000 -0.154 0.000 1.051 239 I HN -0.116 8.215 8.210 0.327 0.076 0.409 240 K N -0.905 119.351 120.400 -0.240 0.000 2.148 240 K HA -0.283 3.933 4.320 -0.173 0.000 0.204 240 K C 2.232 178.698 176.600 -0.224 0.000 1.050 240 K CA 2.858 59.039 56.287 -0.176 0.000 0.942 240 K CB -0.162 32.311 32.500 -0.046 0.000 0.724 240 K HN -0.336 7.835 8.250 -0.131 0.000 0.446 241 A N -2.384 120.275 122.820 -0.267 0.000 2.014 241 A HA -0.146 4.060 4.320 -0.190 0.000 0.218 241 A C 1.036 178.390 177.584 -0.383 0.000 1.163 241 A CA 2.180 54.053 52.037 -0.273 0.000 0.652 241 A CB -0.080 18.770 19.000 -0.249 0.000 0.808 241 A HN -0.296 7.701 8.150 -0.255 0.000 0.449 242 N N -3.435 114.908 118.700 -0.595 0.000 2.322 242 N HA -0.060 4.398 4.740 -0.471 0.000 0.181 242 N C -0.204 174.967 175.510 -0.565 0.000 1.088 242 N CA 0.610 53.281 53.050 -0.631 0.000 0.885 242 N CB 1.757 39.604 38.487 -1.067 0.000 1.013 242 N HN -0.635 7.203 8.380 -0.667 0.142 0.472 243 A N 1.393 123.816 122.820 -0.662 0.000 3.091 243 A HA 0.035 3.344 4.320 -1.684 0.000 0.264 243 A C -0.864 176.364 177.584 -0.594 0.000 1.673 243 A CA -0.643 50.753 52.037 -1.069 0.000 1.362 243 A CB -1.642 16.803 19.000 -0.924 0.000 1.137 243 A HN -0.528 7.264 8.150 -0.596 0.000 0.617 244 V N 0.000 119.743 119.914 -0.286 0.000 2.409 244 V HA 0.000 4.122 4.120 0.003 0.000 0.244 244 V CA 0.000 62.274 62.300 -0.044 0.000 1.235 244 V CB 0.000 31.886 31.823 0.105 0.000 1.184 244 V HN 0.000 7.961 8.190 -0.292 0.054 0.556