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 1c2g_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 4.171 4.170 0.002 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.281 61.300 -0.032 0.000 1.566 16 I CB 0.000 37.951 38.000 -0.081 0.000 1.214 17 V N 5.173 125.079 119.914 -0.013 0.000 2.513 17 V HA 0.273 4.507 4.120 -0.029 -0.132 0.299 17 V C 0.571 176.662 176.094 -0.004 0.000 1.035 17 V CA -1.717 60.575 62.300 -0.014 0.000 0.889 17 V CB 1.397 33.219 31.823 -0.002 0.000 0.988 17 V HN 0.858 9.055 8.190 0.010 0.000 0.440 18 G N 6.739 115.532 108.800 -0.012 0.000 2.179 18 G HA2 -0.400 3.555 3.960 -0.010 0.000 0.257 18 G HA3 -0.400 3.696 3.960 -0.023 -0.149 0.257 18 G C -0.671 174.234 174.900 0.007 0.000 1.010 18 G CA 0.555 45.648 45.100 -0.011 0.000 0.736 18 G HN 0.790 9.071 8.290 -0.016 0.000 0.513 19 G N -1.287 107.509 108.800 -0.005 0.000 2.671 19 G HA2 0.522 4.492 3.960 0.052 0.000 0.275 19 G HA3 0.522 4.507 3.960 -0.130 -0.103 0.275 19 G C -1.775 173.149 174.900 0.041 0.000 1.368 19 G CA -1.092 43.994 45.100 -0.023 0.000 1.044 19 G HN -0.648 7.597 8.290 -0.024 0.031 0.543 20 Y N -6.258 114.022 120.300 -0.035 0.000 2.634 20 Y HA 0.405 4.936 4.550 -0.031 0.000 0.340 20 Y C -1.787 174.086 175.900 -0.045 0.000 1.058 20 Y CA -2.823 55.256 58.100 -0.035 0.000 1.081 20 Y CB 1.179 39.622 38.460 -0.029 0.000 1.295 20 Y HN 0.300 8.072 8.280 -0.676 0.103 0.487 21 T N 2.746 117.381 114.554 0.136 0.000 2.799 21 T HA 0.020 4.469 4.350 -0.075 -0.144 0.296 21 T C 0.349 175.117 174.700 0.114 0.000 0.947 21 T CA 1.641 63.762 62.100 0.035 0.000 1.141 21 T CB -0.173 68.730 68.868 0.058 0.000 0.891 21 T HN 0.191 8.558 8.240 0.211 0.000 0.533 22 c N 6.045 124.609 118.600 -0.060 0.000 2.432 22 c HA -0.108 4.529 4.570 0.112 0.000 0.277 22 c C 0.711 174.837 174.090 0.060 0.000 1.249 22 c CA 1.256 57.583 56.329 -0.005 0.000 1.725 22 c CB -0.435 41.987 42.510 -0.145 0.000 2.028 22 c HN 0.445 8.575 8.230 -0.165 0.000 0.477 23 G N -2.477 106.333 108.800 0.017 0.000 2.697 23 G HA2 -0.220 3.757 3.960 0.029 0.000 0.684 23 G HA3 -0.220 3.759 3.960 0.032 0.000 0.684 23 G C -2.428 172.474 174.900 0.003 0.000 1.274 23 G CA -0.814 44.300 45.100 0.024 0.000 0.806 23 G HN -0.529 7.751 8.290 -0.016 0.000 0.644 24 A N 3.104 125.933 122.820 0.016 0.000 2.561 24 A HA -0.227 4.354 4.320 0.031 -0.243 0.251 24 A C -0.201 177.388 177.584 0.008 0.000 1.062 24 A CA 1.147 53.197 52.037 0.022 0.000 0.761 24 A CB -0.024 18.994 19.000 0.031 0.000 0.986 24 A HN 0.313 8.476 8.150 0.022 0.000 0.510 25 N N -2.030 116.672 118.700 0.003 0.000 2.735 25 N HA -0.376 4.351 4.740 -0.022 0.000 0.248 25 N C 0.131 175.617 175.510 -0.040 0.000 1.083 25 N CA 1.419 54.460 53.050 -0.016 0.000 0.703 25 N CB -1.230 37.259 38.487 0.002 0.000 1.005 25 N HN 0.532 8.921 8.380 0.016 0.000 0.550 26 T N -4.175 110.346 114.554 -0.055 0.000 3.081 26 T HA 0.008 4.343 4.350 -0.026 0.000 0.250 26 T C -0.523 174.113 174.700 -0.106 0.000 1.100 26 T CA 0.948 63.020 62.100 -0.048 0.000 1.038 26 T CB 0.720 69.579 68.868 -0.014 0.000 0.962 26 T HN -0.461 7.744 8.240 -0.059 0.000 0.516 27 V N 2.269 122.057 119.914 -0.210 0.000 2.320 27 V HA 0.348 4.174 4.120 -0.490 0.000 0.257 27 V C -1.229 174.532 176.094 -0.556 0.000 0.996 27 V CA -3.519 58.493 62.300 -0.480 0.000 0.928 27 V CB 1.038 32.581 31.823 -0.467 0.000 1.169 27 V HN -0.460 7.557 8.190 -0.175 0.068 0.475 28 P HA 0.056 4.500 4.420 -0.113 -0.093 0.230 28 P C 0.005 177.236 177.300 -0.116 0.000 1.158 28 P CA 1.557 64.561 63.100 -0.160 0.000 0.769 28 P CB 0.137 31.817 31.700 -0.033 0.000 0.807 29 Y N -5.600 114.728 120.300 0.046 0.000 2.466 29 Y HA 0.543 5.312 4.550 0.059 -0.183 0.272 29 Y C -0.743 175.198 175.900 0.068 0.000 1.169 29 Y CA -3.742 54.391 58.100 0.055 0.000 1.285 29 Y CB -1.562 36.926 38.460 0.047 0.000 1.078 29 Y HN -0.382 7.264 8.280 -0.962 0.057 0.523 30 Q N 2.553 122.265 119.800 -0.147 0.000 2.286 30 Q HA 0.346 4.917 4.340 0.151 -0.141 0.257 30 Q C -0.428 175.666 176.000 0.158 0.000 0.941 30 Q CA -0.318 55.498 55.803 0.022 0.000 0.912 30 Q CB 1.462 30.109 28.738 -0.152 0.000 1.192 30 Q HN -0.634 7.314 8.270 -0.414 0.073 0.410 31 V N 1.602 121.646 119.914 0.217 0.000 2.960 31 V HA 0.827 5.207 4.120 0.203 -0.139 0.315 31 V C -2.010 174.248 176.094 0.274 0.000 1.087 31 V CA -2.841 59.584 62.300 0.208 0.000 0.982 31 V CB 3.932 35.828 31.823 0.122 0.000 1.039 31 V HN 0.456 8.771 8.190 0.209 0.000 0.437 32 S N 1.811 117.588 115.700 0.129 0.000 2.519 32 S HA 0.496 5.226 4.470 0.226 -0.124 0.309 32 S C -1.208 173.311 174.600 -0.135 0.000 1.100 32 S CA -2.157 56.059 58.200 0.028 0.000 1.059 32 S CB 1.495 64.488 63.200 -0.346 0.000 1.008 32 S HN 0.003 8.354 8.310 0.068 0.000 0.478 33 L N 7.620 128.639 121.223 -0.340 0.000 2.275 33 L HA 0.578 4.894 4.340 -0.268 -0.137 0.288 33 L C -1.531 174.977 176.870 -0.602 0.000 1.046 33 L CA -0.883 53.648 54.840 -0.515 0.000 0.805 33 L CB 0.953 42.495 42.059 -0.862 0.000 1.193 33 L HN 0.885 8.870 8.230 -0.407 0.000 0.426 38 G N -0.129 108.416 108.800 -0.426 0.000 2.201 38 G HA2 -0.262 3.608 3.960 -0.150 0.000 0.212 38 G HA3 -0.262 3.626 3.960 -0.120 0.000 0.212 38 G C -1.795 173.042 174.900 -0.106 0.000 0.994 38 G CA 0.204 45.169 45.100 -0.225 0.000 0.644 38 G HN 0.179 8.549 8.290 -0.348 -0.289 0.508 39 Y N -7.383 112.893 120.300 -0.041 0.000 2.732 39 Y HA 0.196 4.707 4.550 -0.065 0.000 0.342 39 Y C -2.518 173.394 175.900 0.019 0.000 1.203 39 Y CA -3.200 54.880 58.100 -0.033 0.000 1.092 39 Y CB 0.741 39.180 38.460 -0.035 0.000 1.345 39 Y HN -1.275 6.601 8.280 -0.776 -0.062 0.458 40 H N 2.289 121.365 119.070 0.011 0.000 2.803 40 H HA 0.111 4.734 4.556 -0.222 -0.201 0.330 40 H C -0.317 175.092 175.328 0.135 0.000 1.057 40 H CA -0.335 55.659 56.048 -0.089 0.000 1.458 40 H CB 0.505 30.152 29.762 -0.192 0.000 1.470 40 H HN 0.254 8.654 8.280 0.199 0.000 0.560 41 F N 1.870 121.460 119.950 -0.599 0.000 2.856 41 F HA 0.311 4.767 4.527 -0.119 0.000 0.338 41 F C -1.587 173.973 175.800 -0.399 0.000 1.005 41 F CA -0.659 57.158 58.000 -0.305 0.000 1.155 41 F CB 1.668 40.620 39.000 -0.081 0.000 1.010 41 F HN 0.306 7.938 8.300 -1.113 0.000 0.587 42 c N -1.919 115.913 118.600 -1.279 0.000 3.321 42 c HA 0.352 4.767 4.570 -0.259 0.000 0.329 42 c C -1.538 172.323 174.090 -0.381 0.000 1.394 42 c CA -0.239 55.714 56.329 -0.627 0.000 1.291 42 c CB 4.091 46.294 42.510 -0.512 0.000 1.606 42 c HN -0.809 6.359 8.230 -1.771 0.000 0.463 43 G N -0.945 107.843 108.800 -0.019 0.000 2.552 43 G HA2 0.809 5.114 3.960 0.278 0.000 0.318 43 G HA3 0.809 4.908 3.960 0.232 0.000 0.318 43 G C -2.506 172.426 174.900 0.054 0.000 1.240 43 G CA -1.590 43.608 45.100 0.162 0.000 1.002 43 G HN 0.750 9.034 8.290 -0.010 0.000 0.493 44 G N -3.887 104.982 108.800 0.114 0.000 2.550 44 G HA2 0.566 4.839 3.960 0.088 0.000 0.293 44 G HA3 0.566 4.569 3.960 0.072 0.000 0.293 44 G C -2.933 172.060 174.900 0.155 0.000 1.402 44 G CA 0.269 45.428 45.100 0.100 0.000 0.784 44 G HN -0.486 7.909 8.290 0.175 0.000 0.482 45 S N -0.586 115.207 115.700 0.155 0.000 2.521 45 S HA 0.895 5.735 4.470 0.271 -0.208 0.295 45 S C -1.411 173.292 174.600 0.171 0.000 1.098 45 S CA -0.850 57.470 58.200 0.201 0.000 0.999 45 S CB 3.907 67.204 63.200 0.161 0.000 1.034 45 S HN 0.417 8.805 8.310 0.130 0.000 0.483 46 L N 5.937 127.277 121.223 0.196 0.000 2.313 46 L HA 0.210 4.754 4.340 0.148 -0.115 0.282 46 L C -0.643 176.311 176.870 0.140 0.000 1.092 46 L CA -0.276 54.661 54.840 0.161 0.000 0.831 46 L CB 1.229 43.381 42.059 0.156 0.000 1.159 46 L HN 0.598 8.876 8.230 0.258 0.107 0.442 47 I N -0.204 120.445 120.570 0.132 0.000 4.070 47 I HA 0.442 4.816 4.170 0.069 -0.162 0.328 47 I C -0.838 175.337 176.117 0.097 0.000 1.298 47 I CA -0.475 60.881 61.300 0.094 0.000 1.173 47 I CB 0.702 38.746 38.000 0.074 0.000 1.051 47 I HN 0.253 8.558 8.210 0.158 0.000 0.409 48 N N -2.041 116.736 118.700 0.129 0.000 3.322 48 N HA 0.043 4.838 4.740 0.091 0.000 0.233 48 N C -0.368 175.214 175.510 0.121 0.000 1.399 48 N CA -0.395 52.726 53.050 0.118 0.000 0.894 48 N CB 1.198 39.761 38.487 0.127 0.000 1.440 48 N HN -0.879 7.591 8.380 0.150 0.000 0.503 49 S N -0.205 115.549 115.700 0.090 0.000 2.441 49 S HA -0.403 4.099 4.470 0.053 0.000 0.242 49 S C 0.865 175.485 174.600 0.034 0.000 1.018 49 S CA 3.021 61.256 58.200 0.059 0.000 0.988 49 S CB -0.059 63.167 63.200 0.043 0.000 0.778 49 S HN 0.514 8.873 8.310 0.082 0.000 0.498 50 Q N -3.082 116.747 119.800 0.049 0.000 2.246 50 Q HA 0.186 4.446 4.340 -0.133 0.000 0.222 50 Q C -1.230 174.614 176.000 -0.260 0.000 0.851 50 Q CA 0.009 55.746 55.803 -0.110 0.000 0.945 50 Q CB 1.422 30.072 28.738 -0.148 0.000 1.122 50 Q HN 0.033 8.330 8.270 0.127 0.049 0.508 51 W N -2.111 119.193 121.300 0.007 0.000 2.936 51 W HA 0.581 5.420 4.660 0.003 -0.176 0.338 51 W C -1.579 174.951 176.519 0.018 0.000 1.121 51 W CA -0.811 56.537 57.345 0.004 0.000 1.209 51 W CB 3.905 33.354 29.460 -0.018 0.000 1.420 51 W HN -0.429 7.892 8.180 0.236 0.000 0.516 52 V N 1.301 121.383 119.914 0.280 0.000 2.735 52 V HA 0.827 5.232 4.120 0.173 -0.182 0.310 52 V C -1.472 174.737 176.094 0.192 0.000 1.061 52 V CA -1.842 60.570 62.300 0.187 0.000 0.913 52 V CB 3.837 35.731 31.823 0.118 0.000 1.005 52 V HN 0.738 9.121 8.190 0.322 0.000 0.428 53 V N 1.748 121.751 119.914 0.148 0.000 2.513 53 V HA 1.014 5.399 4.120 0.149 -0.175 0.299 53 V C -1.593 174.566 176.094 0.107 0.000 1.035 53 V CA -2.772 59.607 62.300 0.131 0.000 0.889 53 V CB 2.090 33.980 31.823 0.111 0.000 0.988 53 V HN 0.460 8.734 8.190 0.139 0.000 0.440 54 S N 4.214 119.969 115.700 0.092 0.000 2.880 54 S HA 0.557 5.269 4.470 0.058 -0.207 0.308 54 S C -1.829 172.787 174.600 0.026 0.000 1.195 54 S CA -2.379 55.852 58.200 0.051 0.000 0.866 54 S CB 2.287 65.503 63.200 0.027 0.000 1.254 54 S HN 0.585 8.959 8.310 0.107 0.000 0.571 55 A N -0.742 122.062 122.820 -0.028 0.000 2.312 55 A HA 0.430 4.872 4.320 -0.026 -0.138 0.328 55 A C 0.345 177.854 177.584 -0.124 0.000 1.158 55 A CA -1.629 50.371 52.037 -0.061 0.000 0.821 55 A CB 1.680 20.634 19.000 -0.077 0.000 1.170 55 A HN 0.278 8.396 8.150 -0.053 0.000 0.490 56 A N 4.057 126.749 122.820 -0.212 0.000 2.019 56 A HA -0.224 3.968 4.320 -0.214 0.000 0.219 56 A C 1.222 178.606 177.584 -0.333 0.000 1.164 56 A CA 2.719 54.501 52.037 -0.426 0.000 0.644 56 A CB -0.311 18.029 19.000 -1.100 0.000 0.805 56 A HN 0.632 8.696 8.150 -0.189 -0.028 0.449 57 H N -4.821 114.125 119.070 -0.206 0.000 2.563 57 H HA -0.037 4.559 4.556 0.067 0.000 0.272 57 H C -0.085 175.302 175.328 0.099 0.000 1.005 57 H CA 1.151 57.218 56.048 0.031 0.000 1.171 57 H CB -1.484 28.358 29.762 0.133 0.000 1.351 57 H HN -0.004 8.508 8.280 -0.038 -0.255 0.602 58 c N -1.495 117.013 118.600 -0.153 0.000 2.791 58 c HA 0.059 4.673 4.570 0.072 0.000 0.270 58 c C 0.220 174.391 174.090 0.135 0.000 1.257 58 c CA -0.150 56.187 56.329 0.013 0.000 1.699 58 c CB -1.442 41.052 42.510 -0.027 0.000 1.904 58 c HN -0.277 7.633 8.230 -0.188 0.208 0.603 59 Y N 2.418 122.712 120.300 -0.010 0.000 2.717 59 Y HA -0.256 4.307 4.550 0.022 0.000 0.330 59 Y C -1.139 174.734 175.900 -0.046 0.000 1.217 59 Y CA 2.021 60.116 58.100 -0.008 0.000 1.506 59 Y CB 0.480 38.920 38.460 -0.032 0.000 1.268 59 Y HN -0.590 7.589 8.280 0.147 0.189 0.561 60 K N 7.287 127.033 120.400 -1.090 0.000 2.579 60 K HA 0.192 3.983 4.320 -0.881 0.000 0.284 60 K C -2.220 173.875 176.600 -0.841 0.000 0.990 60 K CA -1.059 54.676 56.287 -0.920 0.000 0.880 60 K CB 4.018 36.105 32.500 -0.687 0.000 1.488 60 K HN 0.235 7.912 8.250 -0.955 0.000 0.425 61 S N -0.062 115.327 115.700 -0.520 0.000 2.565 61 S HA 0.181 4.517 4.470 -0.223 0.000 0.290 61 S C 0.773 175.248 174.600 -0.209 0.000 1.150 61 S CA -0.457 57.582 58.200 -0.269 0.000 1.058 61 S CB 0.933 64.045 63.200 -0.146 0.000 1.032 61 S HN 0.045 8.083 8.310 -0.454 0.000 0.510 62 G N 3.801 112.519 108.800 -0.137 0.000 2.204 62 G HA2 -0.224 3.682 3.960 -0.090 0.000 0.244 62 G HA3 -0.224 3.654 3.960 -0.136 0.000 0.244 62 G C -1.623 173.204 174.900 -0.121 0.000 1.062 62 G CA -0.070 44.957 45.100 -0.122 0.000 0.798 62 G HN 0.378 8.608 8.290 -0.101 0.000 0.496 63 I N -0.661 119.858 120.570 -0.085 0.000 2.396 63 I HA 0.038 4.200 4.170 -0.012 0.000 0.292 63 I C -1.978 174.115 176.117 -0.039 0.000 0.999 63 I CA -0.733 60.551 61.300 -0.027 0.000 1.310 63 I CB 1.216 39.240 38.000 0.040 0.000 1.404 63 I HN -0.434 7.728 8.210 -0.080 0.000 0.496 64 Q N 6.068 125.836 119.800 -0.054 0.000 2.333 64 Q HA 0.428 4.827 4.340 -0.051 -0.090 0.267 64 Q C -1.750 174.202 176.000 -0.080 0.000 1.012 64 Q CA -1.344 54.415 55.803 -0.074 0.000 0.824 64 Q CB 3.809 32.475 28.738 -0.120 0.000 1.290 64 Q HN 0.358 8.601 8.270 -0.045 0.000 0.449 65 V N 6.975 126.862 119.914 -0.044 0.000 2.439 65 V HA 0.257 4.461 4.120 -0.061 -0.121 0.282 65 V C -1.343 174.759 176.094 0.012 0.000 1.039 65 V CA -0.151 62.132 62.300 -0.028 0.000 0.913 65 V CB 1.181 33.002 31.823 -0.003 0.000 0.983 65 V HN 1.107 9.176 8.190 -0.026 0.105 0.460 66 R N 6.281 126.783 120.500 0.004 0.000 2.409 66 R HA 0.760 5.480 4.340 0.292 -0.205 0.313 66 R C -0.954 175.420 176.300 0.124 0.000 0.953 66 R CA -1.340 54.830 56.100 0.118 0.000 0.849 66 R CB 1.623 31.895 30.300 -0.047 0.000 1.171 66 R HN 0.768 9.015 8.270 -0.038 0.000 0.458 70 E N -0.701 119.595 120.200 0.161 0.000 2.319 70 E HA 0.139 4.572 4.350 0.138 0.000 0.268 70 E C -1.828 174.963 176.600 0.318 0.000 1.050 70 E CA 0.136 56.653 56.400 0.195 0.000 0.878 70 E CB 1.400 31.153 29.700 0.089 0.000 1.066 70 E HN -0.606 7.824 8.360 0.181 0.038 0.406 71 D N 1.064 121.631 120.400 0.278 0.000 2.887 71 D HA 0.047 4.912 4.640 0.375 0.000 0.162 71 D C -1.188 175.317 176.300 0.341 0.000 1.495 71 D CA 1.185 55.364 54.000 0.298 0.000 1.531 71 D CB 2.512 43.397 40.800 0.141 0.000 1.459 71 D HN 0.094 8.574 8.370 0.182 0.000 0.256 72 N N 0.857 119.663 118.700 0.178 0.000 2.408 72 N HA 0.327 5.323 4.740 0.184 -0.146 0.257 72 N C 2.000 177.520 175.510 0.017 0.000 1.064 72 N CA -0.902 52.223 53.050 0.124 0.000 0.952 72 N CB 0.863 39.398 38.487 0.080 0.000 1.093 72 N HN -0.373 8.374 8.380 0.131 -0.289 0.490 73 I N -0.219 120.275 120.570 -0.126 0.000 3.564 73 I HA 0.031 4.228 4.170 -0.234 -0.168 0.294 73 I C -0.483 175.544 176.117 -0.149 0.000 1.289 73 I CA 0.802 61.931 61.300 -0.285 0.000 1.325 73 I CB -0.842 36.757 38.000 -0.669 0.000 1.039 73 I HN 0.617 8.769 8.210 -0.097 0.000 0.474 74 N N -1.843 116.818 118.700 -0.065 0.000 2.220 74 N HA 0.162 4.877 4.740 -0.041 0.000 0.195 74 N C -1.004 174.510 175.510 0.006 0.000 1.123 74 N CA -0.110 52.924 53.050 -0.027 0.000 0.874 74 N CB 2.316 40.798 38.487 -0.008 0.000 0.995 74 N HN -0.067 8.543 8.380 -0.040 -0.254 0.498 75 V N 0.078 120.004 119.914 0.020 0.000 2.656 75 V HA 0.070 4.210 4.120 0.033 0.000 0.307 75 V C -1.251 174.875 176.094 0.053 0.000 1.051 75 V CA -1.072 61.249 62.300 0.035 0.000 0.893 75 V CB 3.222 35.065 31.823 0.033 0.000 0.999 75 V HN -0.819 7.408 8.190 0.014 -0.029 0.426 76 V N 7.642 127.590 119.914 0.056 0.000 2.356 76 V HA -0.167 4.202 4.120 0.080 -0.201 0.258 76 V C 0.270 176.375 176.094 0.018 0.000 1.065 76 V CA 0.522 62.853 62.300 0.052 0.000 0.935 76 V CB -0.550 31.297 31.823 0.040 0.000 1.061 76 V HN 0.350 8.568 8.190 0.047 0.000 0.484 77 E N 8.865 129.076 120.200 0.017 0.000 2.479 77 E HA 0.017 4.374 4.350 0.011 0.000 0.193 77 E C 0.529 177.124 176.600 -0.008 0.000 1.049 77 E CA 0.004 56.411 56.400 0.010 0.000 0.870 77 E CB 0.159 29.875 29.700 0.025 0.000 0.944 77 E HN 0.416 9.193 8.360 0.029 -0.399 0.492 78 G N -1.427 107.353 108.800 -0.032 0.000 2.254 78 G HA2 -0.364 3.559 3.960 -0.061 0.000 0.225 78 G HA3 -0.364 3.577 3.960 -0.031 0.000 0.225 78 G C 0.015 174.881 174.900 -0.057 0.000 1.003 78 G CA 0.442 45.514 45.100 -0.046 0.000 0.622 78 G HN 0.027 8.402 8.290 -0.042 -0.110 0.507 79 N N 0.237 118.910 118.700 -0.045 0.000 2.234 79 N HA 0.097 4.807 4.740 -0.050 0.000 0.227 79 N C -1.657 173.815 175.510 -0.063 0.000 1.151 79 N CA -0.659 52.365 53.050 -0.043 0.000 0.865 79 N CB 0.774 39.254 38.487 -0.011 0.000 1.066 79 N HN 0.333 8.697 8.380 -0.027 0.000 0.515 80 E N -0.033 120.090 120.200 -0.128 0.000 2.318 80 E HA 0.412 4.971 4.350 -0.057 -0.244 0.265 80 E C -0.192 176.222 176.600 -0.309 0.000 1.069 80 E CA -0.499 55.787 56.400 -0.190 0.000 0.893 80 E CB 1.002 30.510 29.700 -0.320 0.000 1.076 80 E HN -0.482 7.722 8.360 -0.145 0.069 0.414 81 Q N 0.410 120.092 119.800 -0.197 0.000 2.274 81 Q HA 0.311 4.505 4.340 -0.244 0.000 0.268 81 Q C -1.397 174.653 176.000 0.084 0.000 1.015 81 Q CA -1.182 54.539 55.803 -0.136 0.000 0.775 81 Q CB 3.166 31.884 28.738 -0.034 0.000 1.256 81 Q HN 0.395 8.641 8.270 -0.040 0.000 0.442 82 F N 3.741 123.672 119.950 -0.031 0.000 2.375 82 F HA 0.745 5.410 4.527 -0.045 -0.165 0.361 82 F C 0.051 175.827 175.800 -0.039 0.000 1.117 82 F CA -1.524 56.452 58.000 -0.040 0.000 1.037 82 F CB 1.650 40.624 39.000 -0.043 0.000 1.192 82 F HN 0.322 8.578 8.300 -0.072 0.000 0.452 83 I N 3.685 124.332 120.570 0.129 0.000 2.582 83 I HA 0.303 4.500 4.170 0.046 0.000 0.292 83 I C -1.366 174.757 176.117 0.009 0.000 1.066 83 I CA -1.260 60.068 61.300 0.046 0.000 1.053 83 I CB 4.438 42.450 38.000 0.019 0.000 1.241 83 I HN 1.072 9.354 8.210 0.120 0.000 0.421 84 S N 5.808 121.503 115.700 -0.009 0.000 2.617 84 S HA 0.185 4.751 4.470 -0.033 -0.116 0.269 84 S C -0.802 173.769 174.600 -0.049 0.000 1.292 84 S CA 0.572 58.754 58.200 -0.031 0.000 1.010 84 S CB 1.071 64.252 63.200 -0.031 0.000 0.944 84 S HN 0.484 8.791 8.310 -0.005 0.000 0.536 85 A N 2.202 124.992 122.820 -0.051 0.000 2.316 85 A HA 0.504 4.925 4.320 -0.095 -0.158 0.284 85 A C -0.479 177.063 177.584 -0.070 0.000 1.115 85 A CA -1.018 50.978 52.037 -0.068 0.000 0.812 85 A CB 1.092 20.069 19.000 -0.040 0.000 1.064 85 A HN -0.293 7.831 8.150 -0.044 0.000 0.489 86 S N 1.921 117.560 115.700 -0.102 0.000 2.497 86 S HA 0.089 4.523 4.470 -0.059 0.000 0.221 86 S C 0.485 175.052 174.600 -0.054 0.000 1.037 86 S CA 0.984 59.135 58.200 -0.083 0.000 0.920 86 S CB 1.330 64.462 63.200 -0.114 0.000 0.800 86 S HN 0.678 8.784 8.310 -0.150 0.114 0.505 87 K N 0.876 121.238 120.400 -0.062 0.000 2.562 87 K HA 0.236 4.577 4.320 0.034 0.000 0.267 87 K C -2.419 174.212 176.600 0.052 0.000 0.938 87 K CA 0.341 56.632 56.287 0.007 0.000 0.840 87 K CB 2.988 35.497 32.500 0.015 0.000 1.390 87 K HN -0.837 7.348 8.250 -0.108 0.000 0.428 88 S N 3.208 118.985 115.700 0.128 0.000 2.513 88 S HA 0.927 5.697 4.470 0.194 -0.183 0.299 88 S C -0.878 173.843 174.600 0.201 0.000 1.087 88 S CA -0.766 57.550 58.200 0.193 0.000 1.012 88 S CB 2.411 65.774 63.200 0.271 0.000 1.044 88 S HN 0.129 8.515 8.310 0.128 0.000 0.485 89 I N 7.048 127.754 120.570 0.227 0.000 2.468 89 I HA 0.186 4.454 4.170 0.162 0.000 0.284 89 I C -1.671 174.597 176.117 0.252 0.000 1.038 89 I CA -0.445 60.987 61.300 0.220 0.000 1.083 89 I CB 2.803 40.948 38.000 0.242 0.000 1.223 89 I HN 0.948 9.309 8.210 0.253 0.000 0.443 90 V N 7.167 127.161 119.914 0.134 0.000 2.607 90 V HA -0.093 4.087 4.120 0.100 0.000 0.289 90 V C -0.430 175.729 176.094 0.108 0.000 1.053 90 V CA -0.922 61.419 62.300 0.069 0.000 0.996 90 V CB 1.061 32.821 31.823 -0.104 0.000 0.995 90 V HN 0.280 8.508 8.190 0.065 0.000 0.476 91 H N 8.074 127.092 119.070 -0.087 0.000 3.094 91 H HA -0.086 4.046 4.556 -0.707 0.000 0.320 91 H C -0.038 175.186 175.328 -0.174 0.000 1.000 91 H CA 0.899 56.696 56.048 -0.419 0.000 1.413 91 H CB 1.609 31.023 29.762 -0.581 0.000 1.405 91 H HN -0.218 8.096 8.280 0.058 0.000 0.586 92 P HA -0.115 4.246 4.420 -0.099 0.000 0.219 92 P C -0.328 176.931 177.300 -0.069 0.000 1.146 92 P CA 1.734 64.695 63.100 -0.232 0.000 0.808 92 P CB 0.329 31.874 31.700 -0.258 0.000 0.779 93 S N -2.657 113.084 115.700 0.068 0.000 2.574 93 S HA 0.059 4.564 4.470 0.059 0.000 0.242 93 S C -1.137 173.568 174.600 0.175 0.000 0.982 93 S CA -0.145 58.148 58.200 0.155 0.000 0.977 93 S CB 0.801 64.102 63.200 0.169 0.000 0.814 93 S HN -0.492 7.813 8.310 0.045 0.031 0.464 94 Y N 3.967 124.316 120.300 0.083 0.000 2.526 94 Y HA -0.266 4.484 4.550 -0.022 -0.213 0.330 94 Y C -0.722 175.169 175.900 -0.014 0.000 1.156 94 Y CA 0.913 59.018 58.100 0.007 0.000 1.419 94 Y CB 0.746 39.207 38.460 0.002 0.000 1.250 94 Y HN -0.821 7.570 8.280 0.302 0.070 0.540 95 N N 7.740 126.051 118.700 -0.649 0.000 2.511 95 N HA 0.228 4.702 4.740 -0.443 0.000 0.249 95 N C -0.155 174.798 175.510 -0.929 0.000 0.971 95 N CA -1.248 51.451 53.050 -0.585 0.000 0.938 95 N CB 1.216 39.520 38.487 -0.306 0.000 1.131 95 N HN -0.039 8.036 8.380 -0.509 0.000 0.505 96 S N 6.059 121.226 115.700 -0.887 0.000 2.507 96 S HA -0.135 3.923 4.470 -0.686 0.000 0.235 96 S C 0.778 175.197 174.600 -0.301 0.000 0.988 96 S CA 2.350 60.216 58.200 -0.556 0.000 0.944 96 S CB -0.194 62.908 63.200 -0.163 0.000 0.762 96 S HN 0.664 8.580 8.310 -0.655 0.000 0.526 97 N N 0.937 119.461 118.700 -0.294 0.000 2.305 97 N HA -0.064 4.559 4.740 -0.194 0.000 0.179 97 N C 1.093 176.433 175.510 -0.283 0.000 1.019 97 N CA 2.176 55.089 53.050 -0.228 0.000 0.869 97 N CB 0.783 39.164 38.487 -0.177 0.000 1.000 97 N HN -0.214 8.160 8.380 -0.327 -0.190 0.431 98 T N -3.658 110.713 114.554 -0.305 0.000 3.014 98 T HA 0.072 4.192 4.350 -0.384 0.000 0.250 98 T C 0.176 174.631 174.700 -0.409 0.000 1.060 98 T CA 0.052 61.950 62.100 -0.336 0.000 1.040 98 T CB 1.442 70.178 68.868 -0.221 0.000 0.971 98 T HN -0.540 7.760 8.240 -0.302 -0.242 0.497 99 L N -3.805 117.208 121.223 -0.349 0.000 4.351 99 L HA -0.484 3.854 4.340 -0.112 -0.065 0.410 99 L C -1.867 174.993 176.870 -0.018 0.000 1.150 99 L CA 0.560 55.291 54.840 -0.181 0.000 0.961 99 L CB -2.747 39.135 42.059 -0.295 0.000 2.130 99 L HN 0.014 8.016 8.230 -0.380 0.000 0.787 100 N N -0.690 117.956 118.700 -0.090 0.000 2.520 100 N HA -0.126 4.658 4.740 0.073 0.000 0.273 100 N C -0.141 175.404 175.510 0.058 0.000 1.155 100 N CA 0.582 53.638 53.050 0.009 0.000 0.967 100 N CB 1.182 39.650 38.487 -0.031 0.000 1.092 100 N HN -0.798 7.424 8.380 -0.197 0.040 0.457 101 N N -0.881 117.864 118.700 0.074 0.000 2.756 101 N HA -0.466 4.209 4.740 -0.109 0.000 0.248 101 N C -1.405 174.108 175.510 0.006 0.000 1.062 101 N CA 1.342 54.344 53.050 -0.080 0.000 0.696 101 N CB -1.547 36.799 38.487 -0.236 0.000 0.946 101 N HN 0.650 9.095 8.380 0.109 0.000 0.548 102 D N -0.809 119.640 120.400 0.082 0.000 2.558 102 D HA 0.098 4.792 4.640 0.090 0.000 0.221 102 D C -2.099 174.152 176.300 -0.082 0.000 1.143 102 D CA -0.450 53.611 54.000 0.102 0.000 1.010 102 D CB -0.603 40.349 40.800 0.253 0.000 1.068 102 D HN -0.030 8.389 8.370 0.082 0.000 0.511 103 I N 1.964 122.418 120.570 -0.194 0.000 2.827 103 I HA 0.746 5.051 4.170 -0.066 -0.174 0.298 103 I C -3.070 173.043 176.117 -0.008 0.000 1.235 103 I CA -1.533 59.685 61.300 -0.136 0.000 1.021 103 I CB 3.897 41.708 38.000 -0.316 0.000 1.259 103 I HN -0.344 7.697 8.210 -0.214 0.041 0.427 104 M N 4.758 124.424 119.600 0.110 0.000 2.520 104 M HA 0.775 5.584 4.480 0.333 -0.129 0.283 104 M C -2.848 173.593 176.300 0.236 0.000 1.237 104 M CA -0.956 54.470 55.300 0.209 0.000 0.885 104 M CB 4.812 37.482 32.600 0.116 0.000 1.727 104 M HN 0.531 8.874 8.290 0.089 0.000 0.468 105 L N 0.668 122.053 121.223 0.270 0.000 2.334 105 L HA 0.919 5.580 4.340 0.229 -0.183 0.276 105 L C -1.293 175.771 176.870 0.324 0.000 1.014 105 L CA -1.535 53.458 54.840 0.254 0.000 0.815 105 L CB 3.525 45.645 42.059 0.102 0.000 1.268 105 L HN 0.428 8.848 8.230 0.317 0.000 0.428 106 I N 1.160 121.925 120.570 0.325 0.000 2.466 106 I HA 0.511 4.930 4.170 0.148 -0.160 0.289 106 I C -1.784 174.321 176.117 -0.021 0.000 1.026 106 I CA -1.216 60.181 61.300 0.162 0.000 1.078 106 I CB 3.204 41.263 38.000 0.098 0.000 1.249 106 I HN 0.835 9.256 8.210 0.352 0.000 0.429 107 K N 6.375 126.562 120.400 -0.354 0.000 2.138 107 K HA 0.686 4.419 4.320 -1.234 -0.154 0.263 107 K C -1.148 175.188 176.600 -0.441 0.000 0.965 107 K CA -2.037 53.692 56.287 -0.930 0.000 0.868 107 K CB 3.393 35.118 32.500 -1.291 0.000 1.083 107 K HN 0.781 8.803 8.250 -0.201 0.108 0.443 108 L N 4.019 124.998 121.223 -0.408 0.000 2.379 108 L HA 0.261 4.629 4.340 -0.157 -0.121 0.269 108 L C 1.498 178.249 176.870 -0.198 0.000 1.084 108 L CA -0.222 54.489 54.840 -0.215 0.000 0.802 108 L CB 0.643 42.613 42.059 -0.148 0.000 1.175 108 L HN 0.440 8.340 8.230 -0.551 0.000 0.448 109 K N 1.675 122.001 120.400 -0.124 0.000 2.097 109 K HA -0.256 3.998 4.320 -0.110 0.000 0.205 109 K C 0.092 176.642 176.600 -0.084 0.000 1.050 109 K CA 2.607 58.836 56.287 -0.096 0.000 0.938 109 K CB 0.521 32.984 32.500 -0.062 0.000 0.718 109 K HN 0.511 8.702 8.250 -0.098 0.000 0.442 110 S N -3.808 111.849 115.700 -0.072 0.000 2.599 110 S HA 0.126 4.564 4.470 -0.054 0.000 0.294 110 S C -1.699 172.866 174.600 -0.058 0.000 1.094 110 S CA -1.346 56.821 58.200 -0.054 0.000 0.931 110 S CB 2.249 65.429 63.200 -0.034 0.000 1.093 110 S HN -0.514 7.754 8.310 -0.069 0.000 0.488 111 A N 1.423 124.217 122.820 -0.043 0.000 2.354 111 A HA 0.076 4.500 4.320 -0.047 -0.133 0.269 111 A C -0.661 176.914 177.584 -0.016 0.000 1.109 111 A CA -0.269 51.749 52.037 -0.032 0.000 0.800 111 A CB 0.914 19.906 19.000 -0.014 0.000 1.045 111 A HN 0.215 8.344 8.150 -0.036 0.000 0.489 112 A N 2.168 124.985 122.820 -0.005 0.000 2.332 112 A HA 0.101 4.421 4.320 -0.001 0.000 0.258 112 A C -0.382 177.207 177.584 0.008 0.000 1.087 112 A CA -0.775 51.265 52.037 0.005 0.000 0.802 112 A CB 0.986 19.998 19.000 0.021 0.000 1.042 112 A HN 0.517 8.549 8.150 -0.005 0.115 0.489 113 S N 0.532 116.234 115.700 0.004 0.000 2.422 113 S HA 0.149 4.623 4.470 0.007 0.000 0.308 113 S C -1.109 173.499 174.600 0.012 0.000 1.097 113 S CA -0.698 57.504 58.200 0.004 0.000 1.099 113 S CB 0.249 63.446 63.200 -0.005 0.000 0.976 113 S HN -0.080 8.544 8.310 0.001 -0.313 0.471 114 L N 6.516 127.751 121.223 0.019 0.000 2.350 114 L HA 0.101 4.565 4.340 0.031 -0.105 0.275 114 L C -0.480 176.403 176.870 0.021 0.000 1.099 114 L CA -0.273 54.584 54.840 0.027 0.000 0.808 114 L CB 0.664 42.745 42.059 0.036 0.000 1.149 114 L HN 0.310 8.552 8.230 0.019 0.000 0.442 115 N N 3.246 121.960 118.700 0.023 0.000 3.439 115 N HA 0.235 4.985 4.740 0.017 0.000 0.313 115 N C -0.517 175.006 175.510 0.022 0.000 1.598 115 N CA -0.731 52.330 53.050 0.018 0.000 0.830 115 N CB 1.040 39.533 38.487 0.009 0.000 1.849 115 N HN 0.471 8.758 8.380 0.028 0.109 0.598 116 S N -0.973 114.737 115.700 0.017 0.000 2.383 116 S HA -0.323 4.161 4.470 0.023 0.000 0.229 116 S C 0.497 175.107 174.600 0.017 0.000 1.030 116 S CA 2.736 60.947 58.200 0.018 0.000 1.002 116 S CB -0.202 63.006 63.200 0.013 0.000 0.829 116 S HN 0.323 8.641 8.310 0.013 0.000 0.467 117 R N -1.712 118.795 120.500 0.012 0.000 2.240 117 R HA -0.096 4.246 4.340 0.003 0.000 0.203 117 R C -1.346 174.962 176.300 0.013 0.000 1.011 117 R CA 0.917 57.022 56.100 0.009 0.000 1.007 117 R CB 0.940 31.244 30.300 0.007 0.000 0.911 117 R HN -0.189 8.311 8.270 0.011 -0.223 0.468 118 V N -1.375 118.553 119.914 0.024 0.000 2.409 118 V HA 0.293 4.620 4.120 0.040 -0.184 0.290 118 V C -2.053 174.073 176.094 0.053 0.000 1.017 118 V CA -1.173 61.150 62.300 0.038 0.000 0.841 118 V CB 2.143 33.986 31.823 0.033 0.000 1.003 118 V HN -0.608 7.670 8.190 0.022 -0.075 0.426 119 A N 7.212 130.080 122.820 0.079 0.000 2.566 119 A HA 0.618 4.986 4.320 0.080 0.000 0.292 119 A C -2.762 174.912 177.584 0.150 0.000 1.112 119 A CA -1.659 50.438 52.037 0.101 0.000 0.707 119 A CB 3.025 22.085 19.000 0.102 0.000 1.302 119 A HN 0.220 8.304 8.150 0.083 0.116 0.409 120 S N -1.653 114.125 115.700 0.130 0.000 2.687 120 S HA 0.676 5.382 4.470 0.166 -0.136 0.283 120 S C -0.818 173.848 174.600 0.110 0.000 1.170 120 S CA -0.933 57.346 58.200 0.132 0.000 1.008 120 S CB 2.136 65.391 63.200 0.092 0.000 1.026 120 S HN -0.010 8.361 8.310 0.101 0.000 0.541 121 I N 0.763 121.360 120.570 0.043 0.000 2.648 121 I HA 0.261 4.382 4.170 -0.083 0.000 0.304 121 I C -1.774 174.305 176.117 -0.062 0.000 1.009 121 I CA -1.756 59.479 61.300 -0.108 0.000 1.114 121 I CB 3.894 41.632 38.000 -0.437 0.000 1.293 121 I HN 0.505 8.752 8.210 0.062 0.000 0.449 122 S N 5.641 121.299 115.700 -0.071 0.000 2.586 122 S HA 0.274 4.733 4.470 -0.019 0.000 0.274 122 S C -0.905 173.670 174.600 -0.041 0.000 1.281 122 S CA -0.619 57.558 58.200 -0.038 0.000 1.035 122 S CB 0.812 63.995 63.200 -0.030 0.000 0.962 122 S HN 0.254 8.506 8.310 -0.096 0.000 0.512 123 L N 2.161 123.373 121.223 -0.018 0.000 2.399 123 L HA 0.208 4.547 4.340 -0.001 0.000 0.266 123 L C -1.106 175.760 176.870 -0.006 0.000 1.114 123 L CA -2.280 52.558 54.840 -0.002 0.000 0.804 123 L CB 0.302 42.368 42.059 0.011 0.000 1.146 123 L HN 0.257 8.480 8.230 -0.013 0.000 0.451 124 P HA 0.138 4.548 4.420 -0.017 0.000 0.277 124 P C -0.999 176.300 177.300 -0.002 0.000 1.240 124 P CA -0.526 62.570 63.100 -0.006 0.000 0.798 124 P CB 0.457 32.153 31.700 -0.006 0.000 0.979 128 c N 0.441 119.013 118.600 -0.047 0.000 2.403 128 c HA 0.116 4.644 4.570 -0.070 0.000 0.361 128 c C -0.127 173.900 174.090 -0.104 0.000 1.274 128 c CA -0.447 55.837 56.329 -0.074 0.000 2.433 128 c CB 0.775 43.244 42.510 -0.068 0.000 2.323 128 c HN -0.039 8.166 8.230 -0.041 0.000 0.614 129 A N 0.526 123.246 122.820 -0.166 0.000 2.306 129 A HA 0.159 4.405 4.320 -0.123 0.000 0.330 129 A C -0.947 176.528 177.584 -0.182 0.000 1.146 129 A CA -0.542 51.391 52.037 -0.173 0.000 0.827 129 A CB 1.085 19.954 19.000 -0.218 0.000 1.178 129 A HN 0.157 8.177 8.150 -0.217 0.000 0.490 133 G N 0.932 109.691 108.800 -0.068 0.000 2.308 133 G HA2 -0.271 3.659 3.960 -0.050 0.000 0.221 133 G HA3 -0.271 3.662 3.960 -0.045 0.000 0.221 133 G C -0.121 174.743 174.900 -0.059 0.000 1.032 133 G CA -0.064 45.003 45.100 -0.055 0.000 0.623 133 G HN 0.683 8.813 8.290 -0.074 0.116 0.506 134 T N 4.577 119.085 114.554 -0.077 0.000 2.902 134 T HA -0.174 4.142 4.350 -0.055 0.000 0.301 134 T C -0.627 174.030 174.700 -0.071 0.000 1.012 134 T CA 2.416 64.472 62.100 -0.075 0.000 1.151 134 T CB 0.370 69.177 68.868 -0.101 0.000 0.946 134 T HN -0.497 7.602 8.240 -0.090 0.087 0.542 135 Q N 4.900 124.674 119.800 -0.044 0.000 2.259 135 Q HA 0.065 4.509 4.340 -0.033 -0.124 0.249 135 Q C -0.896 175.088 176.000 -0.027 0.000 0.914 135 Q CA 0.299 56.088 55.803 -0.025 0.000 0.904 135 Q CB 1.280 30.022 28.738 0.007 0.000 1.213 135 Q HN 0.188 8.436 8.270 -0.036 0.000 0.428 136 c N 0.301 118.888 118.600 -0.022 0.000 3.044 136 c HA 0.618 5.296 4.570 -0.015 -0.117 0.315 136 c C -1.709 172.389 174.090 0.014 0.000 1.320 136 c CA -1.176 55.141 56.329 -0.019 0.000 1.582 136 c CB 4.404 46.882 42.510 -0.053 0.000 2.039 136 c HN 0.676 8.790 8.230 -0.018 0.105 0.466 137 L N 0.737 121.975 121.223 0.026 0.000 2.333 137 L HA 0.825 5.367 4.340 0.056 -0.168 0.280 137 L C -2.307 174.584 176.870 0.034 0.000 1.004 137 L CA -1.378 53.492 54.840 0.051 0.000 0.820 137 L CB 3.344 45.455 42.059 0.088 0.000 1.247 137 L HN 0.779 8.908 8.230 0.020 0.113 0.416 138 I N 7.186 127.762 120.570 0.009 0.000 2.530 138 I HA 0.873 5.289 4.170 0.035 -0.225 0.297 138 I C -1.395 174.699 176.117 -0.038 0.000 1.011 138 I CA -1.611 59.695 61.300 0.009 0.000 1.107 138 I CB 2.864 40.871 38.000 0.012 0.000 1.285 138 I HN 0.970 9.183 8.210 0.005 0.000 0.436 139 S N 1.710 117.385 115.700 -0.041 0.000 2.607 139 S HA 0.994 5.504 4.470 -0.207 -0.163 0.273 139 S C -1.247 173.248 174.600 -0.175 0.000 1.148 139 S CA -1.641 56.461 58.200 -0.163 0.000 0.833 139 S CB 3.770 66.842 63.200 -0.212 0.000 1.130 139 S HN -0.192 8.127 8.310 0.016 0.000 0.470 140 G N -1.294 107.309 108.800 -0.328 0.000 2.321 140 G HA2 0.144 3.866 3.960 -0.396 0.000 0.298 140 G HA3 0.144 4.204 3.960 -0.046 -0.128 0.298 140 G C -2.287 172.402 174.900 -0.350 0.000 1.385 140 G CA 0.580 45.511 45.100 -0.282 0.000 0.856 140 G HN 0.299 8.339 8.290 -0.418 0.000 0.584 141 W N 1.168 122.435 121.300 -0.056 0.000 3.015 141 W HA 0.358 4.972 4.660 -0.076 0.000 0.429 141 W C -0.302 176.265 176.519 0.079 0.000 0.976 141 W CA -0.992 56.288 57.345 -0.109 0.000 2.086 141 W CB -0.065 29.130 29.460 -0.442 0.000 1.125 141 W HN 0.571 8.929 8.180 0.298 0.000 0.721 142 G N 0.746 109.702 108.800 0.260 0.000 2.588 142 G HA2 0.008 4.266 3.960 0.498 0.000 0.281 142 G HA3 0.008 4.276 3.960 0.218 -0.178 0.281 142 G C -1.036 173.854 174.900 -0.016 0.000 1.236 142 G CA -0.913 44.345 45.100 0.263 0.000 0.969 142 G HN -0.444 8.084 8.290 0.153 -0.147 0.504 143 N N -0.507 118.021 118.700 -0.287 0.000 2.294 143 N HA -0.307 3.928 4.740 -1.122 -0.168 0.248 143 N C 0.749 176.103 175.510 -0.259 0.000 1.242 143 N CA 1.326 54.004 53.050 -0.619 0.000 0.848 143 N CB 0.600 38.797 38.487 -0.483 0.000 1.084 143 N HN -0.153 8.178 8.380 -0.081 0.000 0.457 144 T N -1.019 113.395 114.554 -0.235 0.000 3.040 144 T HA 0.185 4.593 4.350 -0.087 -0.110 0.266 144 T C -0.209 174.443 174.700 -0.080 0.000 1.005 144 T CA 0.201 62.233 62.100 -0.112 0.000 0.906 144 T CB 1.619 70.439 68.868 -0.080 0.000 1.082 144 T HN 0.242 8.296 8.240 -0.312 0.000 0.531 145 K N 2.067 122.411 120.400 -0.094 0.000 2.292 145 K HA 0.356 4.655 4.320 -0.034 0.000 0.257 145 K C -0.531 176.049 176.600 -0.033 0.000 0.940 145 K CA -2.062 54.195 56.287 -0.050 0.000 0.811 145 K CB 2.045 34.518 32.500 -0.044 0.000 1.120 145 K HN -0.827 7.577 8.250 -0.146 -0.241 0.428 146 S N 2.326 118.018 115.700 -0.013 0.000 2.345 146 S HA -0.212 4.260 4.470 0.004 0.000 0.219 146 S C 0.234 174.838 174.600 0.006 0.000 1.031 146 S CA 2.025 60.226 58.200 0.002 0.000 0.984 146 S CB 0.261 63.468 63.200 0.011 0.000 0.874 146 S HN 0.254 8.558 8.310 -0.010 0.000 0.451 147 S N 1.709 117.412 115.700 0.005 0.000 2.466 147 S HA 0.123 4.602 4.470 0.015 0.000 0.313 147 S C -0.659 173.945 174.600 0.007 0.000 1.078 147 S CA -0.272 57.934 58.200 0.010 0.000 1.115 147 S CB 0.114 63.320 63.200 0.011 0.000 1.006 147 S HN -0.457 7.854 8.310 0.002 0.000 0.487 148 G N 4.562 113.368 108.800 0.009 0.000 2.347 148 G HA2 -0.169 3.803 3.960 0.020 0.000 0.341 148 G HA3 -0.169 3.794 3.960 0.005 0.000 0.341 148 G C -2.647 172.256 174.900 0.004 0.000 1.287 148 G CA -0.471 44.635 45.100 0.010 0.000 0.984 148 G HN -0.295 8.003 8.290 0.014 0.000 0.526 149 T N 0.027 114.590 114.554 0.015 0.000 2.937 149 T HA 0.215 4.700 4.350 -0.055 -0.169 0.297 149 T C -1.566 173.143 174.700 0.016 0.000 0.991 149 T CA -0.194 61.919 62.100 0.022 0.000 0.990 149 T CB 2.430 71.372 68.868 0.122 0.000 0.991 149 T HN -0.069 8.185 8.240 0.024 0.000 0.440 150 S N 5.678 121.323 115.700 -0.092 0.000 2.689 150 S HA 0.211 4.728 4.470 0.078 0.000 0.274 150 S C -2.339 172.179 174.600 -0.136 0.000 1.176 150 S CA 0.031 58.218 58.200 -0.022 0.000 1.014 150 S CB 1.401 64.584 63.200 -0.029 0.000 1.071 150 S HN 0.544 9.024 8.310 -0.285 -0.342 0.478 151 Y N 5.407 125.740 120.300 0.056 0.000 2.328 151 Y HA 0.262 4.862 4.550 0.083 0.000 0.337 151 Y C -1.134 174.811 175.900 0.075 0.000 0.966 151 Y CA -2.854 55.291 58.100 0.075 0.000 1.136 151 Y CB 1.378 39.889 38.460 0.084 0.000 1.170 151 Y HN 0.098 8.545 8.280 0.278 0.000 0.470 152 P HA 0.364 4.859 4.420 0.126 0.000 0.279 152 P C -1.656 175.780 177.300 0.227 0.000 1.252 152 P CA -0.667 62.530 63.100 0.162 0.000 0.811 152 P CB 2.085 33.844 31.700 0.099 0.000 1.035 153 D N -1.380 119.132 120.400 0.187 0.000 2.388 153 D HA -0.049 4.676 4.640 0.141 0.000 0.208 153 D C -1.472 175.003 176.300 0.293 0.000 1.035 153 D CA 0.872 54.977 54.000 0.175 0.000 0.875 153 D CB 1.041 41.899 40.800 0.097 0.000 0.984 153 D HN 0.428 8.884 8.370 0.143 0.000 0.508 154 V N -6.913 113.159 119.914 0.264 0.000 2.850 154 V HA 0.730 5.357 4.120 0.404 -0.264 0.315 154 V C -0.583 175.546 176.094 0.057 0.000 1.064 154 V CA -2.623 59.829 62.300 0.253 0.000 0.979 154 V CB 2.233 34.123 31.823 0.111 0.000 1.039 154 V HN -0.997 7.302 8.190 0.182 0.000 0.452 155 L N 2.542 123.660 121.223 -0.174 0.000 2.499 155 L HA -0.070 3.453 4.340 -1.361 0.000 0.273 155 L C -0.508 176.109 176.870 -0.422 0.000 1.195 155 L CA 0.625 55.036 54.840 -0.715 0.000 0.882 155 L CB 0.079 41.738 42.059 -0.667 0.000 1.133 155 L HN -0.277 8.171 8.230 0.046 -0.190 0.483 156 K N 5.349 125.474 120.400 -0.459 0.000 2.207 156 K HA 0.650 4.936 4.320 -0.324 -0.161 0.255 156 K C -1.194 175.154 176.600 -0.421 0.000 0.941 156 K CA -2.405 53.671 56.287 -0.352 0.000 0.825 156 K CB 2.342 34.697 32.500 -0.243 0.000 1.119 156 K HN -0.270 7.624 8.250 -0.593 0.000 0.430 157 c N 0.526 118.772 118.600 -0.590 0.000 2.562 157 c HA 1.004 5.507 4.570 -0.404 -0.175 0.332 157 c C -1.652 172.044 174.090 -0.657 0.000 1.201 157 c CA -0.936 54.989 56.329 -0.673 0.000 1.803 157 c CB 3.496 45.461 42.510 -0.909 0.000 2.328 157 c HN 0.849 8.550 8.230 -0.703 0.107 0.500 158 L N 0.625 121.672 121.223 -0.292 0.000 2.526 158 L HA 0.429 4.779 4.340 0.016 0.000 0.263 158 L C -2.673 174.248 176.870 0.086 0.000 0.943 158 L CA 0.423 55.238 54.840 -0.041 0.000 0.859 158 L CB 4.310 46.367 42.059 -0.003 0.000 1.313 158 L HN 0.586 8.689 8.230 -0.212 0.000 0.406 159 K N 7.482 127.997 120.400 0.191 0.000 2.185 159 K HA 0.899 5.528 4.320 0.118 -0.238 0.269 159 K C -1.082 175.654 176.600 0.227 0.000 0.987 159 K CA -1.195 55.195 56.287 0.172 0.000 0.865 159 K CB 1.675 34.283 32.500 0.180 0.000 1.090 159 K HN 0.295 8.694 8.250 0.248 0.000 0.450 160 A N 4.818 127.715 122.820 0.128 0.000 2.549 160 A HA 0.629 5.027 4.320 0.129 0.000 0.297 160 A C -3.388 174.140 177.584 -0.094 0.000 1.061 160 A CA -2.594 49.461 52.037 0.030 0.000 0.690 160 A CB 2.582 21.582 19.000 -0.000 0.000 1.287 160 A HN 0.358 8.547 8.150 0.064 0.000 0.402 161 P HA 0.655 5.216 4.420 -0.094 -0.197 0.282 161 P C -1.106 176.113 177.300 -0.135 0.000 1.259 161 P CA -1.435 61.580 63.100 -0.141 0.000 0.826 161 P CB 1.626 33.251 31.700 -0.124 0.000 1.064 162 I N -0.570 119.941 120.570 -0.097 0.000 2.529 162 I HA -0.089 4.207 4.170 0.040 -0.102 0.284 162 I C 0.185 176.278 176.117 -0.039 0.000 1.082 162 I CA 0.594 61.863 61.300 -0.051 0.000 1.406 162 I CB 0.367 38.267 38.000 -0.166 0.000 1.405 162 I HN 0.074 8.221 8.210 -0.105 0.000 0.548 163 L N 6.616 127.850 121.223 0.017 0.000 2.387 163 L HA 0.280 4.603 4.340 -0.028 0.000 0.266 163 L C -0.384 176.500 176.870 0.023 0.000 1.059 163 L CA -1.042 53.800 54.840 0.004 0.000 0.801 163 L CB 0.555 42.623 42.059 0.016 0.000 1.223 163 L HN 0.304 8.589 8.230 0.091 0.000 0.456 164 S N -0.255 115.452 115.700 0.011 0.000 2.579 164 S HA -0.061 4.413 4.470 0.007 0.000 0.275 164 S C 0.629 175.252 174.600 0.039 0.000 1.345 164 S CA -0.657 57.552 58.200 0.015 0.000 1.031 164 S CB 1.055 64.260 63.200 0.007 0.000 0.892 164 S HN 0.229 8.540 8.310 0.002 0.000 0.529 165 D N 2.753 123.178 120.400 0.042 0.000 2.219 165 D HA -0.210 4.479 4.640 0.082 0.000 0.205 165 D C 1.872 178.204 176.300 0.053 0.000 0.970 165 D CA 3.442 57.479 54.000 0.060 0.000 0.851 165 D CB -0.144 40.689 40.800 0.055 0.000 0.943 165 D HN 0.571 8.958 8.370 0.029 0.000 0.488 166 S N -0.596 115.126 115.700 0.037 0.000 2.368 166 S HA -0.306 4.186 4.470 0.036 0.000 0.224 166 S C 1.705 176.324 174.600 0.031 0.000 1.029 166 S CA 3.179 61.398 58.200 0.032 0.000 0.988 166 S CB 0.002 63.214 63.200 0.020 0.000 0.838 166 S HN 0.087 8.389 8.310 0.029 0.025 0.462 167 S N 2.785 118.501 115.700 0.028 0.000 2.428 167 S HA -0.061 4.416 4.470 0.012 0.000 0.230 167 S C 1.670 176.290 174.600 0.035 0.000 1.014 167 S CA 2.900 61.112 58.200 0.020 0.000 0.957 167 S CB -0.213 62.994 63.200 0.012 0.000 0.784 167 S HN -0.547 7.779 8.310 0.026 0.000 0.499 168 c N 3.728 122.366 118.600 0.063 0.000 2.436 168 c HA -0.266 4.378 4.570 0.123 0.000 0.277 168 c C 1.993 176.170 174.090 0.144 0.000 1.241 168 c CA 3.061 59.457 56.329 0.111 0.000 1.721 168 c CB -1.822 40.754 42.510 0.110 0.000 2.043 168 c HN -0.290 7.876 8.230 0.059 0.098 0.472 169 K N -1.267 119.200 120.400 0.110 0.000 2.211 169 K HA -0.330 4.088 4.320 0.163 0.000 0.203 169 K C 2.108 178.757 176.600 0.082 0.000 1.050 169 K CA 3.086 59.442 56.287 0.114 0.000 0.945 169 K CB -0.091 32.459 32.500 0.084 0.000 0.732 169 K HN 0.102 8.405 8.250 0.088 0.000 0.451 170 S N -0.843 114.882 115.700 0.041 0.000 2.406 170 S HA -0.212 4.267 4.470 0.016 0.000 0.228 170 S C 0.963 175.537 174.600 -0.042 0.000 1.020 170 S CA 2.834 61.038 58.200 0.006 0.000 0.965 170 S CB -0.017 63.181 63.200 -0.004 0.000 0.798 170 S HN -0.541 7.684 8.310 0.039 0.109 0.488 171 A N -0.487 122.280 122.820 -0.088 0.000 1.968 171 A HA -0.061 4.099 4.320 -0.267 0.000 0.217 171 A C -0.831 176.464 177.584 -0.482 0.000 1.169 171 A CA 1.768 53.615 52.037 -0.316 0.000 0.638 171 A CB 0.837 19.589 19.000 -0.413 0.000 0.812 171 A HN -0.736 7.375 8.150 -0.031 0.021 0.446 172 Y N -5.416 114.919 120.300 0.059 0.000 2.511 172 Y HA 0.475 5.095 4.550 0.116 0.000 0.356 172 Y C -2.611 173.349 175.900 0.099 0.000 1.002 172 Y CA -3.096 55.072 58.100 0.113 0.000 1.127 172 Y CB -0.085 38.491 38.460 0.194 0.000 1.137 172 Y HN -0.585 7.639 8.280 0.091 0.111 0.652 173 P HA -0.054 4.548 4.420 0.105 -0.119 0.265 173 P C 0.865 178.233 177.300 0.113 0.000 1.193 173 P CA 0.941 64.107 63.100 0.109 0.000 0.765 173 P CB 0.242 31.979 31.700 0.061 0.000 0.823 174 G N 3.648 112.504 108.800 0.093 0.000 2.186 174 G HA2 -0.388 3.608 3.960 0.059 0.000 0.266 174 G HA3 -0.388 3.603 3.960 0.051 0.000 0.266 174 G C 0.198 175.144 174.900 0.078 0.000 0.982 174 G CA 0.975 46.117 45.100 0.069 0.000 0.670 174 G HN 0.539 8.882 8.290 0.087 0.000 0.533 175 Q N -2.270 117.611 119.800 0.136 0.000 2.280 175 Q HA 0.065 4.433 4.340 0.046 0.000 0.228 175 Q C -0.275 175.846 176.000 0.202 0.000 0.857 175 Q CA -0.133 55.753 55.803 0.138 0.000 0.939 175 Q CB 1.498 30.362 28.738 0.211 0.000 1.114 175 Q HN -0.355 7.947 8.270 0.179 0.076 0.514 176 I N 0.105 120.795 120.570 0.201 0.000 2.331 176 I HA 0.022 4.332 4.170 0.233 0.000 0.292 176 I C -0.034 176.156 176.117 0.120 0.000 0.998 176 I CA -2.128 59.281 61.300 0.181 0.000 1.267 176 I CB -0.785 37.310 38.000 0.159 0.000 1.386 176 I HN -0.579 7.741 8.210 0.183 0.000 0.476 177 T N 2.459 117.082 114.554 0.115 0.000 2.919 177 T HA 0.384 4.772 4.350 0.064 0.000 0.282 177 T C 0.739 175.487 174.700 0.081 0.000 1.020 177 T CA -2.099 60.048 62.100 0.079 0.000 0.994 177 T CB 2.543 71.450 68.868 0.064 0.000 1.180 177 T HN -0.409 7.915 8.240 0.140 0.000 0.566 178 S N -2.071 113.663 115.700 0.057 0.000 2.555 178 S HA -0.209 4.298 4.470 0.061 0.000 0.230 178 S C 0.353 174.992 174.600 0.064 0.000 0.978 178 S CA 2.029 60.259 58.200 0.051 0.000 0.934 178 S CB -0.154 63.058 63.200 0.020 0.000 0.766 178 S HN 0.267 8.602 8.310 0.042 0.000 0.533 179 N N 0.370 119.119 118.700 0.082 0.000 2.276 179 N HA 0.160 4.959 4.740 0.099 0.000 0.212 179 N C -1.634 173.992 175.510 0.194 0.000 1.127 179 N CA -0.433 52.697 53.050 0.132 0.000 0.834 179 N CB 0.736 39.322 38.487 0.166 0.000 1.014 179 N HN -0.658 7.700 8.380 0.079 0.069 0.491 180 M N -1.306 118.394 119.600 0.167 0.000 2.593 180 M HA 0.764 5.502 4.480 0.092 -0.203 0.290 180 M C -2.256 174.154 176.300 0.184 0.000 1.244 180 M CA -0.336 55.038 55.300 0.123 0.000 0.857 180 M CB 5.128 37.774 32.600 0.077 0.000 1.738 180 M HN -0.805 7.476 8.290 0.146 0.096 0.461 181 F N -5.109 114.876 119.950 0.058 0.000 2.654 181 F HA 0.627 5.174 4.527 0.033 0.000 0.308 181 F C -2.604 173.241 175.800 0.075 0.000 1.108 181 F CA -1.970 56.060 58.000 0.050 0.000 0.957 181 F CB 2.258 41.285 39.000 0.045 0.000 1.309 181 F HN 0.159 8.307 8.300 -0.254 0.000 0.446 182 c N 0.109 118.845 118.600 0.226 0.000 2.397 182 c HA 0.992 5.788 4.570 0.063 -0.188 0.343 182 c C -1.022 173.233 174.090 0.274 0.000 1.188 182 c CA -1.175 55.242 56.329 0.147 0.000 1.992 182 c CB 2.784 45.347 42.510 0.090 0.000 2.358 182 c HN 0.878 9.283 8.230 0.292 0.000 0.518 183 A N 2.383 125.343 122.820 0.233 0.000 2.476 183 A HA 0.647 5.122 4.320 0.039 -0.131 0.280 183 A C -2.274 175.329 177.584 0.032 0.000 1.081 183 A CA -0.503 51.577 52.037 0.072 0.000 0.753 183 A CB 2.696 21.622 19.000 -0.123 0.000 1.248 183 A HN 0.364 8.709 8.150 0.324 0.000 0.424 184 Y N 2.767 123.097 120.300 0.050 0.000 2.365 184 Y HA 0.072 4.654 4.550 0.031 -0.013 0.340 184 Y C 1.054 176.970 175.900 0.028 0.000 1.016 184 Y CA -0.229 57.892 58.100 0.034 0.000 1.196 184 Y CB 0.578 39.056 38.460 0.030 0.000 1.167 184 Y HN 0.184 8.554 8.280 0.150 0.000 0.509 185 L N 4.249 125.540 121.223 0.112 0.000 2.291 185 L HA -0.320 4.051 4.340 0.052 0.000 0.214 185 L C 1.048 177.962 176.870 0.074 0.000 1.120 185 L CA 2.392 57.272 54.840 0.066 0.000 0.799 185 L CB -0.447 41.631 42.059 0.033 0.000 0.925 185 L HN 0.548 8.831 8.230 0.089 0.000 0.446 186 E N -1.990 118.272 120.200 0.103 0.000 2.338 186 E HA -0.165 4.213 4.350 0.047 0.000 0.197 186 E C 0.690 177.327 176.600 0.062 0.000 1.007 186 E CA 0.389 56.831 56.400 0.069 0.000 0.849 186 E CB -0.561 29.177 29.700 0.063 0.000 0.774 186 E HN 0.099 8.516 8.360 0.145 0.030 0.506 187 G N 0.527 109.383 108.800 0.093 0.000 3.436 187 G HA2 -0.360 3.674 3.960 0.089 0.000 0.685 187 G HA3 -0.360 3.649 3.960 0.048 -0.020 0.685 187 G C -0.823 174.107 174.900 0.050 0.000 1.039 187 G CA -0.240 44.903 45.100 0.072 0.000 0.879 187 G HN -0.636 7.586 8.290 0.142 0.154 0.478 188 K N 1.719 122.136 120.400 0.028 0.000 7.012 188 K HA -0.601 3.997 4.320 0.029 -0.261 0.677 188 K C -1.368 175.333 176.600 0.167 0.000 2.516 188 K CA 0.752 57.075 56.287 0.060 0.000 1.841 188 K CB 0.103 32.578 32.500 -0.043 0.000 1.900 188 K HN 0.279 8.570 8.250 0.069 0.000 0.293 189 D N 0.502 120.977 120.400 0.124 0.000 2.725 189 D HA 0.292 5.043 4.640 0.185 0.000 0.292 189 D C -1.823 174.540 176.300 0.104 0.000 1.288 189 D CA -0.692 53.390 54.000 0.136 0.000 0.784 189 D CB 3.926 44.787 40.800 0.102 0.000 1.308 189 D HN 0.041 8.460 8.370 0.081 0.000 0.429 190 S N -1.367 114.408 115.700 0.125 0.000 2.713 190 S HA 0.298 4.870 4.470 0.077 -0.056 0.277 190 S C -1.520 173.118 174.600 0.062 0.000 1.168 190 S CA -0.471 57.792 58.200 0.104 0.000 0.994 190 S CB 1.804 65.110 63.200 0.176 0.000 1.054 190 S HN 0.245 8.647 8.310 0.155 0.000 0.555 191 c N -1.278 117.360 118.600 0.063 0.000 3.320 191 c HA 0.277 4.879 4.570 0.053 0.000 0.335 191 c C -1.312 172.843 174.090 0.110 0.000 1.430 191 c CA -0.795 55.570 56.329 0.061 0.000 1.271 191 c CB 2.985 45.510 42.510 0.025 0.000 1.609 191 c HN 0.331 8.862 8.230 0.079 -0.253 0.457 192 Q N 1.074 120.953 119.800 0.133 0.000 2.304 192 Q HA -0.240 4.230 4.340 0.217 0.000 0.301 192 Q C 0.874 177.039 176.000 0.275 0.000 1.063 192 Q CA 1.219 57.146 55.803 0.207 0.000 0.947 192 Q CB -0.524 28.341 28.738 0.212 0.000 1.201 192 Q HN 0.404 8.738 8.270 0.107 0.000 0.389 193 G N 4.831 113.810 108.800 0.297 0.000 2.313 193 G HA2 -0.432 3.732 3.960 0.341 0.000 0.215 193 G HA3 -0.432 3.841 3.960 0.522 0.000 0.215 193 G C 0.644 175.765 174.900 0.368 0.000 1.023 193 G CA 0.840 46.175 45.100 0.393 0.000 0.626 193 G HN 0.288 8.735 8.290 0.263 0.000 0.503 194 D N 3.035 123.590 120.400 0.257 0.000 2.289 194 D HA 0.024 4.795 4.640 0.219 0.000 0.207 194 D C 0.147 176.548 176.300 0.168 0.000 0.966 194 D CA 1.284 55.401 54.000 0.196 0.000 0.868 194 D CB 0.344 41.224 40.800 0.133 0.000 0.943 194 D HN 0.049 8.447 8.370 0.228 0.108 0.514 195 S N -0.299 115.503 115.700 0.169 0.000 2.715 195 S HA -0.412 4.310 4.470 0.198 -0.133 0.318 195 S C 1.111 175.735 174.600 0.040 0.000 1.242 195 S CA 2.159 60.444 58.200 0.142 0.000 1.044 195 S CB -0.825 62.459 63.200 0.139 0.000 0.760 195 S HN -0.446 8.006 8.310 0.198 -0.024 0.501 196 G N 4.983 113.808 108.800 0.041 0.000 2.253 196 G HA2 -0.458 3.578 3.960 0.016 0.000 0.251 196 G HA3 -0.458 3.593 3.960 -0.036 -0.112 0.251 196 G C 0.032 174.979 174.900 0.078 0.000 0.998 196 G CA 0.344 45.455 45.100 0.018 0.000 0.621 196 G HN 0.879 9.120 8.290 0.102 0.110 0.524 197 G N 1.214 110.081 108.800 0.111 0.000 2.667 197 G HA2 0.190 4.233 3.960 0.138 0.000 0.250 197 G HA3 0.190 4.302 3.960 0.134 -0.072 0.250 197 G C -2.489 172.501 174.900 0.150 0.000 1.212 197 G CA -1.733 43.448 45.100 0.135 0.000 0.874 197 G HN -0.170 8.077 8.290 0.113 0.112 0.561 198 P HA 0.267 4.890 4.420 0.132 -0.123 0.277 198 P C -1.530 175.844 177.300 0.124 0.000 1.240 198 P CA -0.684 62.509 63.100 0.155 0.000 0.798 198 P CB 1.488 33.327 31.700 0.232 0.000 0.979 199 V N 1.935 121.900 119.914 0.086 0.000 2.445 199 V HA 0.328 4.640 4.120 0.010 -0.185 0.283 199 V C -1.323 174.785 176.094 0.022 0.000 1.014 199 V CA -0.403 61.916 62.300 0.031 0.000 0.852 199 V CB 1.890 33.717 31.823 0.006 0.000 1.021 199 V HN -0.292 7.948 8.190 0.084 0.000 0.435 200 V N 7.960 127.875 119.914 0.003 0.000 2.417 200 V HA 0.664 4.939 4.120 -0.068 -0.196 0.291 200 V C -1.306 174.771 176.094 -0.029 0.000 1.024 200 V CA -1.286 60.987 62.300 -0.045 0.000 0.861 200 V CB 2.731 34.501 31.823 -0.088 0.000 0.985 200 V HN 0.677 8.884 8.190 0.029 0.000 0.436 201 c N 6.471 125.042 118.600 -0.049 0.000 2.482 201 c HA 0.604 5.154 4.570 -0.034 0.000 0.317 201 c C 0.622 174.683 174.090 -0.049 0.000 1.197 201 c CA -1.616 54.682 56.329 -0.051 0.000 1.432 201 c CB 2.052 44.511 42.510 -0.086 0.000 2.062 201 c HN 0.612 8.805 8.230 -0.060 0.000 0.471 202 S N 3.322 119.001 115.700 -0.033 0.000 3.521 202 S HA -0.423 4.036 4.470 -0.017 0.000 0.362 202 S C -0.165 174.418 174.600 -0.028 0.000 1.044 202 S CA 1.209 59.392 58.200 -0.028 0.000 1.091 202 S CB -1.138 62.041 63.200 -0.035 0.000 0.908 202 S HN 1.180 9.475 8.310 -0.025 0.000 0.473 203 G N -4.417 104.365 108.800 -0.030 0.000 2.176 203 G HA2 -0.436 3.504 3.960 -0.033 0.000 0.253 203 G HA3 -0.436 3.509 3.960 -0.025 0.000 0.253 203 G C -1.456 173.402 174.900 -0.070 0.000 0.979 203 G CA 0.026 45.103 45.100 -0.039 0.000 0.641 203 G HN -0.057 8.192 8.290 -0.026 0.025 0.530 210 Q N 1.392 121.213 119.800 0.034 0.000 2.402 210 Q HA 0.214 4.591 4.340 0.061 0.000 0.231 210 Q C -0.248 175.918 176.000 0.277 0.000 0.888 210 Q CA 0.132 55.979 55.803 0.074 0.000 0.938 210 Q CB 2.871 31.576 28.738 -0.055 0.000 1.086 210 Q HN 0.390 8.671 8.270 0.019 0.000 0.543 211 G N -3.215 105.763 108.800 0.296 0.000 2.694 211 G HA2 0.599 5.061 3.960 0.414 0.000 0.290 211 G HA3 0.599 4.830 3.960 0.451 0.000 0.290 211 G C -3.254 171.778 174.900 0.220 0.000 1.386 211 G CA -0.693 44.627 45.100 0.366 0.000 0.872 211 G HN -0.372 8.028 8.290 0.184 0.000 0.475 212 I N -1.415 119.278 120.570 0.204 0.000 2.498 212 I HA 0.554 5.049 4.170 0.170 -0.223 0.290 212 I C -0.447 175.789 176.117 0.198 0.000 1.032 212 I CA -1.438 59.965 61.300 0.171 0.000 1.073 212 I CB 4.278 42.344 38.000 0.110 0.000 1.251 212 I HN -0.428 7.971 8.210 0.184 -0.078 0.426 213 V N 7.426 127.467 119.914 0.213 0.000 2.458 213 V HA -0.221 3.910 4.120 0.020 0.000 0.287 213 V C -1.145 174.988 176.094 0.066 0.000 1.009 213 V CA 2.070 64.439 62.300 0.115 0.000 1.091 213 V CB -1.135 30.785 31.823 0.162 0.000 0.960 213 V HN 0.495 8.696 8.190 0.200 0.108 0.476 214 S N 8.046 123.676 115.700 -0.116 0.000 3.142 214 S HA 0.406 5.183 4.470 0.349 -0.098 0.223 214 S C -0.727 173.883 174.600 0.016 0.000 0.939 214 S CA 0.910 59.152 58.200 0.070 0.000 0.826 214 S CB 2.158 65.385 63.200 0.045 0.000 0.823 214 S HN -0.106 7.925 8.310 -0.465 0.000 0.612 215 W N -4.267 116.825 121.300 -0.347 0.000 2.940 215 W HA 0.294 4.801 4.660 -0.255 0.000 0.394 215 W C -3.074 173.257 176.519 -0.314 0.000 1.155 215 W CA -0.577 56.580 57.345 -0.312 0.000 1.165 215 W CB 0.572 29.845 29.460 -0.312 0.000 1.492 215 W HN 0.035 7.838 8.180 -0.628 0.000 0.593 216 G N -2.781 106.048 108.800 0.049 0.000 2.428 216 G HA2 0.223 3.941 3.960 -0.402 0.000 0.304 216 G HA3 0.223 4.134 3.960 -0.080 0.000 0.304 216 G C -2.274 172.765 174.900 0.232 0.000 1.303 216 G CA 0.082 45.143 45.100 -0.064 0.000 0.825 216 G HN -0.018 8.475 8.290 0.339 0.000 0.484 220 c N 1.818 120.453 118.600 0.058 0.000 3.471 220 c HA 0.327 5.091 4.570 0.054 -0.161 0.191 220 c C -1.295 172.823 174.090 0.047 0.000 1.480 220 c CA -1.313 55.045 56.329 0.049 0.000 1.281 220 c CB -1.485 41.046 42.510 0.034 0.000 1.898 220 c HN 0.285 8.546 8.230 0.052 0.000 0.533 221 Q N -0.865 118.967 119.800 0.052 0.000 2.896 221 Q HA 0.093 4.453 4.340 0.033 0.000 0.241 221 Q C -1.299 174.722 176.000 0.036 0.000 0.999 221 Q CA -0.469 55.358 55.803 0.039 0.000 0.912 221 Q CB 2.317 31.078 28.738 0.038 0.000 2.012 221 Q HN 0.243 8.550 8.270 0.060 0.000 0.489 222 K N 4.346 124.761 120.400 0.024 0.000 2.448 222 K HA -0.300 4.161 4.320 0.033 -0.121 0.278 222 K C 0.093 176.691 176.600 -0.004 0.000 1.009 222 K CA 1.231 57.530 56.287 0.019 0.000 0.995 222 K CB 0.141 32.648 32.500 0.013 0.000 0.917 222 K HN 0.280 8.543 8.250 0.021 0.000 0.481 223 N N 2.786 121.481 118.700 -0.008 0.000 2.753 223 N HA -0.465 4.253 4.740 -0.037 0.000 0.251 223 N C -1.629 173.811 175.510 -0.115 0.000 1.097 223 N CA 1.975 54.995 53.050 -0.051 0.000 0.786 223 N CB -0.684 37.766 38.487 -0.062 0.000 1.137 223 N HN 0.864 9.130 8.380 0.013 0.122 0.566 224 K N -1.229 119.134 120.400 -0.062 0.000 2.762 224 K HA 0.532 4.687 4.320 -0.274 0.000 0.180 224 K C -2.456 174.195 176.600 0.085 0.000 1.067 224 K CA -3.732 52.521 56.287 -0.057 0.000 0.973 224 K CB 0.262 32.774 32.500 0.020 0.000 1.290 224 K HN -0.674 7.510 8.250 -0.009 0.060 0.604 225 P HA -0.052 4.427 4.420 0.098 0.000 0.273 225 P C -0.691 176.647 177.300 0.064 0.000 1.250 225 P CA -0.442 62.720 63.100 0.103 0.000 0.793 225 P CB 1.189 32.938 31.700 0.082 0.000 1.011 226 G N -2.713 106.105 108.800 0.030 0.000 2.503 226 G HA2 0.236 4.009 3.960 -0.313 0.000 0.257 226 G HA3 0.236 4.160 3.960 -0.172 -0.067 0.257 226 G C -1.517 173.084 174.900 -0.497 0.000 1.214 226 G CA -0.569 44.390 45.100 -0.235 0.000 0.839 226 G HN -0.454 7.909 8.290 0.122 0.000 0.559 227 V N 1.540 120.818 119.914 -1.060 0.000 2.495 227 V HA 0.576 4.452 4.120 -0.677 -0.163 0.298 227 V C -1.013 174.311 176.094 -1.284 0.000 1.031 227 V CA -0.995 60.633 62.300 -1.120 0.000 0.871 227 V CB 2.321 33.002 31.823 -1.903 0.000 0.988 227 V HN 0.579 8.105 8.190 -1.106 0.000 0.432 228 Y N 5.104 124.980 120.300 -0.707 0.000 2.485 228 Y HA 0.565 5.023 4.550 -0.388 -0.140 0.345 228 Y C 0.301 175.904 175.900 -0.496 0.000 0.998 228 Y CA -2.329 55.372 58.100 -0.665 0.000 1.059 228 Y CB 3.653 41.448 38.460 -1.108 0.000 1.234 228 Y HN 1.077 8.977 8.280 -0.632 0.000 0.461 229 T N 4.854 119.369 114.554 -0.065 0.000 2.870 229 T HA 0.006 4.567 4.350 0.107 -0.146 0.300 229 T C -0.623 174.220 174.700 0.238 0.000 0.989 229 T CA 1.564 63.718 62.100 0.091 0.000 1.139 229 T CB 0.493 69.406 68.868 0.074 0.000 0.920 229 T HN 0.327 8.559 8.240 -0.014 0.000 0.537 230 K N 8.247 128.870 120.400 0.372 0.000 2.150 230 K HA 0.120 4.865 4.320 0.708 0.000 0.261 230 K C 1.058 177.920 176.600 0.438 0.000 1.127 230 K CA -0.618 55.963 56.287 0.491 0.000 0.989 230 K CB -0.457 32.280 32.500 0.395 0.000 1.475 230 K HN 0.112 8.462 8.250 0.334 0.101 0.391 231 V N 5.625 125.779 119.914 0.401 0.000 2.453 231 V HA -0.543 3.895 4.120 0.531 0.000 0.252 231 V C 1.378 177.645 176.094 0.288 0.000 1.068 231 V CA 3.858 66.385 62.300 0.378 0.000 1.070 231 V CB -0.351 31.617 31.823 0.241 0.000 0.664 231 V HN 0.223 8.656 8.190 0.405 0.000 0.461 232 c N -4.273 114.425 118.600 0.164 0.000 2.422 232 c HA -0.182 4.435 4.570 0.078 0.000 0.286 232 c C 1.467 175.575 174.090 0.029 0.000 1.412 232 c CA 1.194 57.568 56.329 0.076 0.000 1.786 232 c CB -2.163 40.360 42.510 0.022 0.000 1.835 232 c HN 0.475 8.780 8.230 0.161 0.022 0.533 233 N N 0.729 119.408 118.700 -0.034 0.000 2.467 233 N HA -0.048 4.588 4.740 -0.174 0.000 0.184 233 N C 0.100 175.350 175.510 -0.434 0.000 1.106 233 N CA 0.866 53.745 53.050 -0.285 0.000 0.892 233 N CB -0.036 38.140 38.487 -0.518 0.000 0.969 233 N HN -0.344 8.019 8.380 0.053 0.049 0.454 234 Y N -4.707 115.669 120.300 0.126 0.000 2.612 234 Y HA 0.176 4.876 4.550 0.250 0.000 0.250 234 Y C -0.103 175.933 175.900 0.227 0.000 1.175 234 Y CA -0.904 57.331 58.100 0.224 0.000 1.205 234 Y CB -0.116 38.513 38.460 0.282 0.000 1.201 234 Y HN -0.071 8.128 8.280 0.191 0.195 0.532 235 V N 0.887 120.940 119.914 0.232 0.000 2.332 235 V HA -0.558 3.647 4.120 0.143 0.000 0.248 235 V C 1.408 177.567 176.094 0.108 0.000 1.055 235 V CA 4.891 67.277 62.300 0.142 0.000 1.038 235 V CB -0.503 31.367 31.823 0.079 0.000 0.651 235 V HN -0.634 7.654 8.190 0.163 0.000 0.450 236 S N -0.248 115.521 115.700 0.116 0.000 2.368 236 S HA -0.304 4.187 4.470 0.035 0.000 0.224 236 S C 1.758 176.427 174.600 0.115 0.000 1.029 236 S CA 3.135 61.385 58.200 0.083 0.000 0.988 236 S CB -0.380 62.866 63.200 0.077 0.000 0.838 236 S HN 0.044 8.424 8.310 0.117 0.000 0.462 237 W N 3.553 124.892 121.300 0.066 0.000 2.355 237 W HA -0.253 4.427 4.660 0.033 0.000 0.309 237 W C 1.310 177.840 176.519 0.018 0.000 1.206 237 W CA 3.221 60.609 57.345 0.073 0.000 1.284 237 W CB -0.083 29.500 29.460 0.205 0.000 1.145 237 W HN -0.440 7.964 8.180 0.374 0.000 0.502 238 I N -0.588 119.925 120.570 -0.094 0.000 2.142 238 I HA -0.766 2.887 4.170 -0.860 0.000 0.240 238 I C 1.803 177.668 176.117 -0.420 0.000 1.078 238 I CA 4.552 65.604 61.300 -0.413 0.000 1.343 238 I CB -0.237 37.697 38.000 -0.110 0.000 1.046 238 I HN 0.249 8.609 8.210 0.250 0.000 0.405 239 K N -1.791 118.475 120.400 -0.225 0.000 2.063 239 K HA -0.493 3.683 4.320 -0.240 0.000 0.208 239 K C 2.601 179.059 176.600 -0.236 0.000 1.048 239 K CA 3.821 59.983 56.287 -0.207 0.000 0.928 239 K CB -0.434 32.004 32.500 -0.102 0.000 0.713 239 K HN -0.081 8.100 8.250 -0.116 0.000 0.442 240 Q N -1.275 118.397 119.800 -0.214 0.000 2.083 240 Q HA -0.274 3.984 4.340 -0.137 0.000 0.198 240 Q C 2.247 178.081 176.000 -0.278 0.000 0.969 240 Q CA 3.588 59.281 55.803 -0.184 0.000 0.838 240 Q CB -0.105 28.574 28.738 -0.098 0.000 0.900 240 Q HN 0.070 8.224 8.270 -0.179 0.008 0.436 241 T N 2.432 116.704 114.554 -0.469 0.000 2.708 241 T HA -0.324 3.810 4.350 -0.360 0.000 0.266 241 T C 2.310 176.663 174.700 -0.579 0.000 1.037 241 T CA 5.180 66.948 62.100 -0.553 0.000 1.146 241 T CB -0.212 68.079 68.868 -0.961 0.000 0.865 241 T HN 0.010 7.916 8.240 -0.557 0.000 0.435 242 I N -3.109 116.989 120.570 -0.785 0.000 2.394 242 I HA -0.145 3.187 4.170 -1.398 0.000 0.251 242 I C 1.313 177.214 176.117 -0.360 0.000 1.136 242 I CA 2.909 63.614 61.300 -0.992 0.000 1.425 242 I CB -0.503 36.703 38.000 -1.323 0.000 1.079 242 I HN 0.071 7.830 8.210 -0.751 0.000 0.425 243 A N 0.462 123.129 122.820 -0.255 0.000 2.066 243 A HA -0.125 4.162 4.320 -0.056 0.000 0.218 243 A C 1.208 178.762 177.584 -0.049 0.000 1.157 243 A CA 2.448 54.424 52.037 -0.102 0.000 0.670 243 A CB -0.394 18.552 19.000 -0.090 0.000 0.804 243 A HN -0.212 7.741 8.150 -0.308 0.012 0.453 244 S N -3.702 111.954 115.700 -0.073 0.000 2.572 244 S HA 0.148 4.616 4.470 -0.003 0.000 0.228 244 S C -0.924 173.694 174.600 0.030 0.000 0.963 244 S CA 0.507 58.694 58.200 -0.021 0.000 0.939 244 S CB 0.495 63.672 63.200 -0.038 0.000 0.804 244 S HN -0.462 7.619 8.310 -0.145 0.142 0.480 245 N N 0.000 118.754 118.700 0.090 0.000 1.763 245 N HA 0.000 4.826 4.740 0.143 0.000 0.220 245 N CA 0.000 53.179 53.050 0.215 0.000 0.885 245 N CB 0.000 38.669 38.487 0.304 0.000 1.341 245 N HN 0.000 8.257 8.380 0.071 0.165 0.667