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 1o2s_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV 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 4.185 4.170 0.026 0.000 0.288 16 I C 0.000 176.109 176.117 -0.013 0.000 1.063 16 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 16 I CB 0.000 37.962 38.000 -0.063 0.000 1.214 17 V N 5.099 125.015 119.914 0.005 0.000 2.513 17 V HA 0.269 4.508 4.120 -0.016 -0.129 0.299 17 V C 0.471 176.565 176.094 -0.001 0.000 1.035 17 V CA -1.657 60.642 62.300 -0.003 0.000 0.889 17 V CB 1.499 33.327 31.823 0.008 0.000 0.988 17 V HN 0.701 8.907 8.190 0.026 0.000 0.440 18 G N 6.288 115.082 108.800 -0.010 0.000 2.148 18 G HA2 -0.386 3.563 3.960 -0.018 0.000 0.254 18 G HA3 -0.386 3.702 3.960 -0.033 -0.147 0.254 18 G C -0.580 174.323 174.900 0.005 0.000 0.981 18 G CA 0.452 45.542 45.100 -0.016 0.000 0.670 18 G HN 0.751 9.034 8.290 -0.013 0.000 0.528 19 G N -0.969 107.831 108.800 -0.000 0.000 2.583 19 G HA2 0.467 4.458 3.960 0.058 0.000 0.280 19 G HA3 0.467 4.442 3.960 -0.104 -0.077 0.280 19 G C -1.616 173.319 174.900 0.058 0.000 1.376 19 G CA -1.025 44.071 45.100 -0.007 0.000 1.043 19 G HN -0.694 7.542 8.290 -0.016 0.045 0.538 20 Y N -6.029 114.252 120.300 -0.032 0.000 2.634 20 Y HA 0.396 4.929 4.550 -0.028 0.000 0.340 20 Y C -1.778 174.097 175.900 -0.042 0.000 1.058 20 Y CA -2.843 55.237 58.100 -0.032 0.000 1.081 20 Y CB 1.198 39.642 38.460 -0.027 0.000 1.295 20 Y HN 0.251 8.200 8.280 -0.551 0.000 0.487 21 T N 2.307 116.930 114.554 0.115 0.000 2.799 21 T HA 0.113 4.545 4.350 -0.080 -0.130 0.296 21 T C 0.187 174.927 174.700 0.067 0.000 0.947 21 T CA 0.913 63.025 62.100 0.020 0.000 1.141 21 T CB 0.023 68.924 68.868 0.054 0.000 0.891 21 T HN 0.007 8.366 8.240 0.199 0.000 0.533 22 c N 6.078 124.624 118.600 -0.091 0.000 2.440 22 c HA -0.070 4.533 4.570 0.055 0.000 0.278 22 c C 0.312 174.425 174.090 0.037 0.000 1.295 22 c CA 0.450 56.755 56.329 -0.041 0.000 1.738 22 c CB 0.248 42.659 42.510 -0.166 0.000 1.987 22 c HN -0.059 8.064 8.230 -0.179 0.000 0.492 23 G N -1.532 107.276 108.800 0.013 0.000 3.069 23 G HA2 -0.183 3.795 3.960 0.030 0.000 0.686 23 G HA3 -0.183 3.797 3.960 0.033 0.000 0.686 23 G C -1.785 173.118 174.900 0.005 0.000 1.161 23 G CA -0.717 44.398 45.100 0.024 0.000 0.804 23 G HN -0.337 7.947 8.290 -0.011 0.000 0.608 24 A N 3.823 126.653 122.820 0.017 0.000 2.567 24 A HA -0.234 4.282 4.320 0.031 -0.177 0.240 24 A C -0.270 177.319 177.584 0.009 0.000 1.053 24 A CA 0.995 53.046 52.037 0.022 0.000 0.755 24 A CB 0.091 19.110 19.000 0.032 0.000 0.978 24 A HN 0.313 8.477 8.150 0.024 0.000 0.507 25 N N -2.813 115.890 118.700 0.005 0.000 2.708 25 N HA -0.376 4.354 4.740 -0.017 0.000 0.249 25 N C 0.486 175.975 175.510 -0.034 0.000 1.097 25 N CA 1.718 54.761 53.050 -0.011 0.000 0.710 25 N CB -1.194 37.297 38.487 0.006 0.000 1.032 25 N HN 0.566 8.959 8.380 0.022 0.000 0.551 26 T N -3.665 110.859 114.554 -0.049 0.000 3.081 26 T HA 0.019 4.357 4.350 -0.020 0.000 0.255 26 T C 0.053 174.693 174.700 -0.100 0.000 1.113 26 T CA 2.072 64.147 62.100 -0.042 0.000 1.082 26 T CB 0.485 69.344 68.868 -0.016 0.000 0.939 26 T HN -0.534 7.643 8.240 -0.051 0.032 0.506 27 V N 2.643 122.438 119.914 -0.198 0.000 2.260 27 V HA 0.387 4.230 4.120 -0.462 0.000 0.263 27 V C -1.462 174.327 176.094 -0.508 0.000 1.036 27 V CA -3.353 58.673 62.300 -0.457 0.000 0.874 27 V CB 0.519 32.057 31.823 -0.476 0.000 1.116 27 V HN -0.487 7.548 8.190 -0.164 0.057 0.454 28 P HA 0.067 4.541 4.420 -0.091 -0.109 0.230 28 P C 0.098 177.348 177.300 -0.083 0.000 1.158 28 P CA 1.544 64.567 63.100 -0.129 0.000 0.769 28 P CB 0.134 31.831 31.700 -0.005 0.000 0.807 29 Y N -6.098 114.227 120.300 0.042 0.000 2.482 29 Y HA 0.472 5.194 4.550 0.055 -0.139 0.270 29 Y C -0.464 175.473 175.900 0.061 0.000 1.152 29 Y CA -3.090 55.041 58.100 0.050 0.000 1.292 29 Y CB -1.192 37.293 38.460 0.042 0.000 1.070 29 Y HN -0.419 7.240 8.280 -0.949 0.052 0.528 30 Q N 2.772 122.472 119.800 -0.166 0.000 2.313 30 Q HA 0.140 4.689 4.340 0.125 -0.134 0.266 30 Q C -0.288 175.806 176.000 0.157 0.000 0.989 30 Q CA 0.263 56.071 55.803 0.008 0.000 0.890 30 Q CB 0.961 29.594 28.738 -0.175 0.000 1.200 30 Q HN -0.704 7.224 8.270 -0.476 0.057 0.396 31 V N 1.106 121.145 119.914 0.209 0.000 3.046 31 V HA 0.851 5.205 4.120 0.189 -0.121 0.316 31 V C -1.883 174.358 176.094 0.245 0.000 1.104 31 V CA -2.990 59.422 62.300 0.187 0.000 1.006 31 V CB 3.882 35.764 31.823 0.098 0.000 1.058 31 V HN 0.152 8.461 8.190 0.199 0.000 0.440 32 S N 0.046 115.790 115.700 0.074 0.000 2.482 32 S HA 0.496 5.203 4.470 0.203 -0.115 0.303 32 S C -1.133 173.348 174.600 -0.197 0.000 1.091 32 S CA -2.039 56.149 58.200 -0.021 0.000 1.057 32 S CB 2.067 65.037 63.200 -0.385 0.000 1.031 32 S HN -0.100 8.211 8.310 0.003 0.000 0.485 33 L N 6.295 127.265 121.223 -0.422 0.000 2.282 33 L HA 0.528 4.765 4.340 -0.370 -0.118 0.288 33 L C -1.600 174.821 176.870 -0.750 0.000 1.033 33 L CA -0.868 53.595 54.840 -0.628 0.000 0.807 33 L CB 1.089 42.566 42.059 -0.971 0.000 1.209 33 L HN 0.661 8.596 8.230 -0.491 0.000 0.423 38 G N 0.724 109.445 108.800 -0.131 0.000 2.179 38 G HA2 -0.335 3.620 3.960 -0.009 0.000 0.220 38 G HA3 -0.335 3.695 3.960 0.116 0.000 0.220 38 G C -1.891 173.107 174.900 0.163 0.000 0.990 38 G CA 0.203 45.325 45.100 0.036 0.000 0.646 38 G HN 0.271 8.734 8.290 -0.172 -0.276 0.517 39 Y N -7.456 112.821 120.300 -0.038 0.000 2.732 39 Y HA 0.190 4.705 4.550 -0.057 0.000 0.342 39 Y C -2.533 173.368 175.900 0.001 0.000 1.203 39 Y CA -3.520 54.560 58.100 -0.033 0.000 1.092 39 Y CB 0.725 39.165 38.460 -0.034 0.000 1.345 39 Y HN -1.252 6.856 8.280 -0.329 -0.026 0.458 40 H N 2.858 121.876 119.070 -0.087 0.000 2.767 40 H HA 0.059 4.574 4.556 -0.340 -0.164 0.316 40 H C -0.402 174.892 175.328 -0.056 0.000 1.059 40 H CA -0.406 55.518 56.048 -0.206 0.000 1.461 40 H CB 0.283 29.911 29.762 -0.225 0.000 1.475 40 H HN 0.333 8.711 8.280 0.163 0.000 0.531 41 F N 2.460 121.945 119.950 -0.775 0.000 2.778 41 F HA 0.316 4.713 4.527 -0.218 0.000 0.314 41 F C -1.472 174.048 175.800 -0.466 0.000 1.073 41 F CA -0.615 57.114 58.000 -0.452 0.000 1.218 41 F CB 1.534 40.332 39.000 -0.336 0.000 1.037 41 F HN -0.027 7.584 8.300 -1.149 0.000 0.594 42 c N -1.764 116.158 118.600 -1.131 0.000 3.321 42 c HA 0.357 4.801 4.570 -0.210 0.000 0.329 42 c C -1.656 172.244 174.090 -0.318 0.000 1.394 42 c CA -0.270 55.746 56.329 -0.522 0.000 1.291 42 c CB 4.060 46.335 42.510 -0.392 0.000 1.606 42 c HN -0.840 6.420 8.230 -1.618 0.000 0.463 43 G N -1.126 107.666 108.800 -0.013 0.000 2.705 43 G HA2 0.809 5.069 3.960 0.245 0.000 0.299 43 G HA3 0.809 4.897 3.960 0.212 0.000 0.299 43 G C -2.534 172.392 174.900 0.043 0.000 1.315 43 G CA -1.641 43.546 45.100 0.144 0.000 1.045 43 G HN 0.767 9.053 8.290 -0.006 0.000 0.517 44 G N -3.981 104.877 108.800 0.097 0.000 2.506 44 G HA2 0.506 4.782 3.960 0.066 0.000 0.292 44 G HA3 0.506 4.495 3.960 0.049 0.000 0.292 44 G C -2.873 172.109 174.900 0.137 0.000 1.425 44 G CA 0.344 45.492 45.100 0.080 0.000 0.788 44 G HN -0.634 7.749 8.290 0.155 0.000 0.490 45 S N -0.334 115.450 115.700 0.141 0.000 2.532 45 S HA 0.735 5.552 4.470 0.266 -0.187 0.299 45 S C -1.247 173.451 174.600 0.164 0.000 1.105 45 S CA -0.829 57.484 58.200 0.190 0.000 1.018 45 S CB 3.578 66.867 63.200 0.149 0.000 1.021 45 S HN 0.419 8.798 8.310 0.115 0.000 0.483 46 L N 6.572 127.909 121.223 0.190 0.000 2.361 46 L HA 0.115 4.541 4.340 0.143 0.000 0.278 46 L C -0.734 176.219 176.870 0.137 0.000 1.113 46 L CA 0.024 54.958 54.840 0.156 0.000 0.849 46 L CB 0.906 43.057 42.059 0.154 0.000 1.155 46 L HN 0.455 8.727 8.230 0.251 0.108 0.452 47 I N 0.158 120.806 120.570 0.130 0.000 4.035 47 I HA 0.474 4.826 4.170 0.065 -0.143 0.321 47 I C -0.860 175.317 176.117 0.099 0.000 1.289 47 I CA -0.438 60.917 61.300 0.092 0.000 1.236 47 I CB 1.063 39.107 38.000 0.073 0.000 1.076 47 I HN 0.273 8.578 8.210 0.158 0.000 0.418 48 N N -2.270 116.513 118.700 0.138 0.000 3.106 48 N HA 0.188 4.986 4.740 0.096 0.000 0.253 48 N C -0.464 175.125 175.510 0.132 0.000 1.506 48 N CA -0.787 52.341 53.050 0.130 0.000 0.876 48 N CB 1.008 39.587 38.487 0.153 0.000 1.452 48 N HN -0.903 7.576 8.380 0.166 0.000 0.542 49 S N -3.580 112.183 115.700 0.105 0.000 2.547 49 S HA -0.302 4.209 4.470 0.068 0.000 0.235 49 S C 0.776 175.405 174.600 0.049 0.000 0.980 49 S CA 2.646 60.889 58.200 0.072 0.000 0.941 49 S CB -0.166 63.065 63.200 0.053 0.000 0.763 49 S HN 0.394 8.763 8.310 0.099 0.000 0.532 50 Q N -0.425 119.415 119.800 0.067 0.000 2.140 50 Q HA 0.336 4.611 4.340 -0.108 0.000 0.227 50 Q C -2.130 173.735 176.000 -0.226 0.000 0.798 50 Q CA -0.388 55.356 55.803 -0.099 0.000 0.987 50 Q CB 2.823 31.475 28.738 -0.144 0.000 1.161 50 Q HN 0.104 8.762 8.270 0.163 -0.290 0.480 51 W N -1.918 119.388 121.300 0.009 0.000 2.915 51 W HA 0.630 5.480 4.660 0.005 -0.188 0.337 51 W C -1.513 175.018 176.519 0.020 0.000 1.102 51 W CA -1.036 56.314 57.345 0.007 0.000 1.224 51 W CB 3.825 33.279 29.460 -0.009 0.000 1.416 51 W HN -0.181 8.280 8.180 0.250 -0.131 0.503 52 V N 1.322 121.391 119.914 0.259 0.000 2.769 52 V HA 0.743 5.128 4.120 0.166 -0.165 0.312 52 V C -1.485 174.718 176.094 0.182 0.000 1.061 52 V CA -1.763 60.641 62.300 0.174 0.000 0.931 52 V CB 3.794 35.677 31.823 0.100 0.000 1.010 52 V HN 0.695 9.050 8.190 0.275 0.000 0.433 53 V N 5.471 125.470 119.914 0.141 0.000 2.555 53 V HA 0.706 5.078 4.120 0.149 -0.162 0.302 53 V C -1.321 174.827 176.094 0.090 0.000 1.038 53 V CA -1.231 61.145 62.300 0.127 0.000 0.887 53 V CB 2.320 34.210 31.823 0.113 0.000 0.991 53 V HN 0.524 8.792 8.190 0.130 0.000 0.434 54 S N 4.305 120.044 115.700 0.066 0.000 2.880 54 S HA 0.579 5.273 4.470 0.023 -0.210 0.308 54 S C -2.032 172.553 174.600 -0.025 0.000 1.195 54 S CA -2.600 55.609 58.200 0.016 0.000 0.866 54 S CB 2.508 65.704 63.200 -0.007 0.000 1.254 54 S HN 0.560 8.919 8.310 0.082 0.000 0.571 55 A N -0.760 122.000 122.820 -0.100 0.000 2.303 55 A HA 0.475 4.875 4.320 -0.118 -0.151 0.317 55 A C 0.420 177.875 177.584 -0.215 0.000 1.149 55 A CA -1.727 50.207 52.037 -0.171 0.000 0.822 55 A CB 1.641 20.462 19.000 -0.298 0.000 1.131 55 A HN 0.306 8.384 8.150 -0.121 0.000 0.493 56 A N 4.392 127.029 122.820 -0.304 0.000 2.019 56 A HA -0.232 3.943 4.320 -0.242 0.000 0.219 56 A C 1.312 178.664 177.584 -0.387 0.000 1.164 56 A CA 2.757 54.503 52.037 -0.485 0.000 0.644 56 A CB -0.352 17.933 19.000 -1.192 0.000 0.805 56 A HN 0.627 8.624 8.150 -0.293 -0.024 0.449 57 H N -4.878 114.038 119.070 -0.256 0.000 2.559 57 H HA -0.069 4.525 4.556 0.064 0.000 0.273 57 H C 0.157 175.537 175.328 0.087 0.000 1.000 57 H CA 1.371 57.426 56.048 0.011 0.000 1.195 57 H CB -1.196 28.636 29.762 0.118 0.000 1.368 57 H HN -0.044 8.388 8.280 -0.188 -0.264 0.592 58 c N -1.138 117.404 118.600 -0.096 0.000 2.697 58 c HA -0.031 4.633 4.570 0.157 0.000 0.267 58 c C -0.940 173.244 174.090 0.156 0.000 1.278 58 c CA 0.288 56.657 56.329 0.065 0.000 1.708 58 c CB -1.458 41.038 42.510 -0.023 0.000 1.860 58 c HN -0.658 7.273 8.230 -0.199 0.180 0.589 59 Y N 2.377 122.687 120.300 0.016 0.000 2.597 59 Y HA -0.182 4.391 4.550 0.038 0.000 0.336 59 Y C -1.476 174.408 175.900 -0.026 0.000 1.216 59 Y CA 1.478 59.585 58.100 0.012 0.000 1.463 59 Y CB 0.956 39.410 38.460 -0.010 0.000 1.303 59 Y HN -0.578 7.727 8.280 0.176 0.080 0.576 60 K N 5.825 125.521 120.400 -1.174 0.000 2.711 60 K HA 0.202 4.155 4.320 -0.611 0.000 0.294 60 K C -2.544 173.572 176.600 -0.807 0.000 1.037 60 K CA -1.143 54.663 56.287 -0.802 0.000 0.858 60 K CB 2.365 34.530 32.500 -0.558 0.000 1.521 60 K HN -0.100 7.305 8.250 -1.410 0.000 0.386 61 S N -0.270 115.169 115.700 -0.435 0.000 2.713 61 S HA 0.129 4.430 4.470 -0.282 0.000 0.283 61 S C 0.710 175.187 174.600 -0.205 0.000 1.161 61 S CA -0.322 57.723 58.200 -0.258 0.000 0.999 61 S CB 1.224 64.361 63.200 -0.106 0.000 1.039 61 S HN -0.176 7.946 8.310 -0.312 0.000 0.548 62 G N 0.102 108.820 108.800 -0.137 0.000 2.341 62 G HA2 -0.245 3.664 3.960 -0.085 0.000 0.278 62 G HA3 -0.245 3.644 3.960 -0.117 0.000 0.278 62 G C -1.748 173.083 174.900 -0.115 0.000 1.111 62 G CA 0.151 45.183 45.100 -0.113 0.000 0.982 62 G HN 0.312 8.536 8.290 -0.111 0.000 0.502 63 I N -1.230 119.285 120.570 -0.091 0.000 2.412 63 I HA 0.174 4.463 4.170 0.004 -0.116 0.296 63 I C -1.820 174.258 176.117 -0.065 0.000 0.987 63 I CA -1.063 60.213 61.300 -0.040 0.000 1.180 63 I CB 1.548 39.543 38.000 -0.007 0.000 1.340 63 I HN -0.478 7.676 8.210 -0.093 0.000 0.455 64 Q N 6.604 126.350 119.800 -0.090 0.000 3.106 64 Q HA 0.573 4.953 4.340 -0.086 -0.092 0.247 64 Q C -1.698 174.212 176.000 -0.149 0.000 1.033 64 Q CA -2.023 53.709 55.803 -0.120 0.000 0.888 64 Q CB 4.348 32.982 28.738 -0.173 0.000 1.586 64 Q HN 0.562 8.781 8.270 -0.085 0.000 0.482 65 R N -2.475 117.969 120.500 -0.092 0.000 2.937 65 R HA 0.436 5.045 4.340 0.165 -0.170 0.273 65 R C -1.355 174.986 176.300 0.069 0.000 1.176 65 R CA 0.039 56.136 56.100 -0.003 0.000 1.132 65 R CB 2.452 32.618 30.300 -0.224 0.000 1.270 65 R HN 0.520 8.716 8.270 -0.123 0.000 0.425 70 E N -0.762 119.531 120.200 0.155 0.000 2.319 70 E HA 0.100 4.523 4.350 0.121 0.000 0.268 70 E C -1.626 175.158 176.600 0.306 0.000 1.050 70 E CA 0.553 57.056 56.400 0.172 0.000 0.878 70 E CB 1.486 31.203 29.700 0.029 0.000 1.066 70 E HN -0.559 7.869 8.360 0.175 0.037 0.406 71 D N 0.746 121.305 120.400 0.266 0.000 2.900 71 D HA 0.048 4.927 4.640 0.397 0.000 0.175 71 D C -1.206 175.289 176.300 0.324 0.000 1.476 71 D CA 1.384 55.564 54.000 0.300 0.000 1.488 71 D CB 2.431 43.317 40.800 0.145 0.000 1.426 71 D HN 0.149 8.617 8.370 0.164 0.000 0.295 72 N N 0.823 119.620 118.700 0.161 0.000 2.420 72 N HA 0.270 5.239 4.740 0.162 -0.132 0.249 72 N C 1.898 177.408 175.510 -0.001 0.000 1.033 72 N CA -1.096 52.017 53.050 0.106 0.000 0.944 72 N CB 0.611 39.140 38.487 0.070 0.000 1.113 72 N HN -0.541 7.911 8.380 0.119 0.000 0.502 73 I N 0.221 120.704 120.570 -0.145 0.000 3.176 73 I HA -0.087 4.066 4.170 -0.283 -0.153 0.275 73 I C -0.330 175.703 176.117 -0.140 0.000 1.298 73 I CA 1.467 62.587 61.300 -0.300 0.000 1.445 73 I CB -0.623 36.975 38.000 -0.670 0.000 1.075 73 I HN 0.475 8.614 8.210 -0.117 0.000 0.482 74 N N -1.952 116.713 118.700 -0.059 0.000 2.236 74 N HA 0.119 4.842 4.740 -0.029 0.000 0.196 74 N C -0.635 174.881 175.510 0.010 0.000 1.114 74 N CA 0.729 53.767 53.050 -0.019 0.000 0.859 74 N CB 1.657 40.143 38.487 -0.001 0.000 0.982 74 N HN -0.047 8.575 8.380 -0.037 -0.264 0.493 75 V N -0.021 119.904 119.914 0.018 0.000 2.656 75 V HA 0.029 4.166 4.120 0.029 0.000 0.307 75 V C -1.300 174.817 176.094 0.038 0.000 1.051 75 V CA -1.165 61.153 62.300 0.029 0.000 0.893 75 V CB 2.951 34.789 31.823 0.026 0.000 0.999 75 V HN -0.812 7.438 8.190 0.010 -0.054 0.426 76 V N 7.109 127.042 119.914 0.033 0.000 2.461 76 V HA -0.179 4.131 4.120 0.026 -0.174 0.275 76 V C -0.049 176.043 176.094 -0.003 0.000 1.047 76 V CA 0.661 62.967 62.300 0.010 0.000 0.955 76 V CB 0.354 32.163 31.823 -0.024 0.000 0.988 76 V HN 0.211 8.418 8.190 0.029 0.000 0.471 77 E N 6.983 127.179 120.200 -0.006 0.000 2.606 77 E HA 0.174 4.522 4.350 -0.003 0.000 0.224 77 E C -0.516 176.075 176.600 -0.014 0.000 0.930 77 E CA -0.568 55.831 56.400 -0.002 0.000 1.125 77 E CB 1.277 30.985 29.700 0.014 0.000 1.123 77 E HN 0.405 9.273 8.360 -0.009 -0.513 0.522 78 G N 0.318 109.099 108.800 -0.032 0.000 2.576 78 G HA2 -0.224 3.698 3.960 -0.063 0.000 0.686 78 G HA3 -0.224 3.719 3.960 -0.029 0.000 0.686 78 G C -1.726 173.154 174.900 -0.032 0.000 1.242 78 G CA -0.635 44.440 45.100 -0.041 0.000 0.819 78 G HN -0.430 8.227 8.290 -0.042 -0.392 0.655 79 N N -3.934 114.741 118.700 -0.041 0.000 2.980 79 N HA -0.284 4.441 4.740 -0.026 0.000 0.219 79 N C -0.974 174.518 175.510 -0.032 0.000 0.883 79 N CA 1.340 54.375 53.050 -0.025 0.000 1.018 79 N CB -0.274 38.214 38.487 0.001 0.000 1.041 79 N HN 0.155 8.503 8.380 -0.053 0.000 0.592 80 E N -1.086 119.072 120.200 -0.069 0.000 2.373 80 E HA 0.193 4.776 4.350 0.016 -0.224 0.267 80 E C -0.047 176.457 176.600 -0.159 0.000 1.032 80 E CA 0.524 56.873 56.400 -0.084 0.000 0.889 80 E CB 0.486 30.074 29.700 -0.187 0.000 0.984 80 E HN -0.174 8.033 8.360 -0.085 0.102 0.425 81 Q N 3.386 123.165 119.800 -0.035 0.000 2.292 81 Q HA 0.326 4.592 4.340 -0.123 0.000 0.270 81 Q C -1.652 174.469 176.000 0.201 0.000 1.024 81 Q CA -1.243 54.549 55.803 -0.018 0.000 0.768 81 Q CB 3.625 32.375 28.738 0.020 0.000 1.250 81 Q HN 0.340 8.660 8.270 0.083 0.000 0.447 82 F N 3.559 123.488 119.950 -0.034 0.000 2.402 82 F HA 0.380 5.061 4.527 -0.050 -0.185 0.355 82 F C -0.096 175.679 175.800 -0.041 0.000 1.123 82 F CA -3.089 54.885 58.000 -0.043 0.000 1.021 82 F CB 0.616 39.589 39.000 -0.045 0.000 1.160 82 F HN 0.317 8.633 8.300 0.027 0.000 0.451 83 I N 4.012 124.658 120.570 0.127 0.000 2.582 83 I HA 0.250 4.449 4.170 0.047 0.000 0.292 83 I C -1.304 174.813 176.117 -0.001 0.000 1.066 83 I CA -1.414 59.912 61.300 0.044 0.000 1.053 83 I CB 4.053 42.064 38.000 0.018 0.000 1.241 83 I HN 0.665 8.936 8.210 0.102 0.000 0.421 84 S N 5.089 120.780 115.700 -0.016 0.000 2.603 84 S HA 0.095 4.537 4.470 -0.047 0.000 0.268 84 S C -0.549 174.016 174.600 -0.059 0.000 1.317 84 S CA 0.651 58.827 58.200 -0.040 0.000 1.012 84 S CB 1.069 64.247 63.200 -0.035 0.000 0.926 84 S HN 0.387 8.693 8.310 -0.008 0.000 0.539 85 A N 2.441 125.221 122.820 -0.065 0.000 2.363 85 A HA 0.190 4.547 4.320 -0.100 -0.096 0.270 85 A C -0.517 177.017 177.584 -0.083 0.000 1.121 85 A CA -0.385 51.604 52.037 -0.080 0.000 0.800 85 A CB 0.683 19.645 19.000 -0.063 0.000 1.052 85 A HN -0.192 7.921 8.150 -0.061 0.000 0.493 86 S N 3.732 119.364 115.700 -0.115 0.000 2.387 86 S HA 0.016 4.443 4.470 -0.071 0.000 0.221 86 S C 0.468 175.027 174.600 -0.069 0.000 1.041 86 S CA 1.362 59.504 58.200 -0.098 0.000 0.959 86 S CB 0.841 63.958 63.200 -0.138 0.000 0.843 86 S HN 0.744 8.844 8.310 -0.162 0.113 0.488 87 K N 0.045 120.397 120.400 -0.080 0.000 2.536 87 K HA 0.292 4.630 4.320 0.030 0.000 0.269 87 K C -2.223 174.402 176.600 0.043 0.000 0.965 87 K CA -0.999 55.288 56.287 0.001 0.000 0.860 87 K CB 3.530 36.044 32.500 0.023 0.000 1.423 87 K HN -0.805 7.357 8.250 -0.146 0.000 0.438 88 S N 0.902 116.684 115.700 0.137 0.000 2.502 88 S HA 0.695 5.443 4.470 0.174 -0.173 0.304 88 S C -0.849 173.888 174.600 0.229 0.000 1.097 88 S CA -0.463 57.862 58.200 0.208 0.000 1.045 88 S CB 2.500 65.884 63.200 0.306 0.000 1.019 88 S HN 0.160 8.566 8.310 0.159 0.000 0.481 89 I N 7.733 128.445 120.570 0.237 0.000 2.405 89 I HA 0.101 4.373 4.170 0.170 0.000 0.280 89 I C -1.465 174.802 176.117 0.250 0.000 1.027 89 I CA -0.857 60.578 61.300 0.224 0.000 1.161 89 I CB 1.074 39.216 38.000 0.236 0.000 1.300 89 I HN 1.006 9.264 8.210 0.260 0.109 0.463 90 V N 7.845 127.841 119.914 0.137 0.000 2.775 90 V HA -0.169 4.000 4.120 0.081 0.000 0.299 90 V C -0.223 175.947 176.094 0.127 0.000 1.062 90 V CA -0.497 61.846 62.300 0.071 0.000 1.063 90 V CB 0.923 32.694 31.823 -0.086 0.000 0.994 90 V HN 0.345 8.574 8.190 0.065 0.000 0.483 91 H N 8.421 127.459 119.070 -0.053 0.000 3.034 91 H HA -0.029 4.316 4.556 -0.353 0.000 0.324 91 H C -0.421 174.868 175.328 -0.064 0.000 1.015 91 H CA 0.484 56.373 56.048 -0.265 0.000 1.429 91 H CB 1.555 31.014 29.762 -0.505 0.000 1.429 91 H HN -0.188 8.117 8.280 0.042 0.000 0.585 92 P HA -0.098 4.333 4.420 0.018 0.000 0.218 92 P C -0.363 176.990 177.300 0.089 0.000 1.148 92 P CA 1.437 64.517 63.100 -0.034 0.000 0.822 92 P CB 0.380 32.037 31.700 -0.073 0.000 0.784 93 S N -3.545 112.317 115.700 0.270 0.000 2.622 93 S HA 0.033 4.565 4.470 0.103 0.000 0.236 93 S C -0.672 174.029 174.600 0.168 0.000 0.956 93 S CA 0.051 58.375 58.200 0.208 0.000 0.971 93 S CB 0.302 63.617 63.200 0.193 0.000 0.782 93 S HN -0.390 8.194 8.310 0.505 0.029 0.468 94 Y N 3.685 124.026 120.300 0.069 0.000 2.526 94 Y HA -0.259 4.460 4.550 -0.048 -0.198 0.330 94 Y C -0.927 174.964 175.900 -0.015 0.000 1.156 94 Y CA 0.634 58.731 58.100 -0.006 0.000 1.419 94 Y CB 0.817 39.278 38.460 0.002 0.000 1.250 94 Y HN -0.811 7.579 8.280 0.321 0.082 0.540 95 N N 7.555 125.907 118.700 -0.581 0.000 2.476 95 N HA 0.205 4.677 4.740 -0.447 0.000 0.257 95 N C -0.155 174.839 175.510 -0.861 0.000 0.970 95 N CA -1.313 51.406 53.050 -0.552 0.000 0.938 95 N CB 1.655 39.977 38.487 -0.275 0.000 1.144 95 N HN -0.223 7.929 8.380 -0.381 0.000 0.500 96 S N 6.667 121.867 115.700 -0.833 0.000 2.515 96 S HA -0.060 4.007 4.470 -0.671 0.000 0.231 96 S C 0.691 175.109 174.600 -0.302 0.000 0.987 96 S CA 2.308 60.173 58.200 -0.558 0.000 0.936 96 S CB -0.204 62.839 63.200 -0.261 0.000 0.766 96 S HN 0.632 8.556 8.310 -0.643 0.000 0.528 97 N N 1.735 120.265 118.700 -0.283 0.000 2.402 97 N HA 0.073 4.691 4.740 -0.203 0.000 0.174 97 N C 0.869 176.222 175.510 -0.261 0.000 1.027 97 N CA 2.097 55.013 53.050 -0.223 0.000 0.891 97 N CB 0.725 39.108 38.487 -0.173 0.000 1.016 97 N HN 0.324 8.789 8.380 -0.310 -0.271 0.439 98 T N -4.229 110.166 114.554 -0.264 0.000 2.990 98 T HA 0.098 4.254 4.350 -0.324 0.000 0.250 98 T C 0.002 174.527 174.700 -0.291 0.000 1.041 98 T CA 0.175 62.113 62.100 -0.270 0.000 1.010 98 T CB 1.830 70.594 68.868 -0.173 0.000 1.003 98 T HN -0.592 7.700 8.240 -0.265 -0.211 0.499 99 L N -3.349 117.737 121.223 -0.229 0.000 4.089 99 L HA -0.505 3.955 4.340 0.073 -0.076 0.408 99 L C -1.896 175.021 176.870 0.078 0.000 1.184 99 L CA 0.377 55.195 54.840 -0.037 0.000 0.947 99 L CB -2.625 39.373 42.059 -0.101 0.000 2.066 99 L HN -0.203 7.862 8.230 -0.276 0.000 0.851 100 N N -1.020 117.680 118.700 0.000 0.000 2.530 100 N HA -0.144 4.652 4.740 0.094 0.000 0.273 100 N C 0.057 175.618 175.510 0.085 0.000 1.173 100 N CA 0.512 53.591 53.050 0.048 0.000 0.967 100 N CB 1.284 39.770 38.487 -0.003 0.000 1.109 100 N HN -0.773 7.510 8.380 -0.098 0.039 0.453 101 N N -0.774 117.965 118.700 0.065 0.000 2.756 101 N HA -0.466 4.184 4.740 -0.151 0.000 0.248 101 N C -1.472 174.005 175.510 -0.054 0.000 1.062 101 N CA 1.349 54.331 53.050 -0.113 0.000 0.696 101 N CB -1.589 36.719 38.487 -0.297 0.000 0.946 101 N HN 0.604 9.048 8.380 0.107 0.000 0.548 102 D N -1.090 119.319 120.400 0.016 0.000 2.608 102 D HA 0.041 4.660 4.640 -0.036 0.000 0.224 102 D C -1.678 174.517 176.300 -0.175 0.000 1.123 102 D CA -0.369 53.633 54.000 0.005 0.000 1.030 102 D CB -0.741 40.163 40.800 0.174 0.000 1.093 102 D HN -0.072 8.324 8.370 0.043 0.000 0.497 103 I N 1.724 122.130 120.570 -0.273 0.000 2.802 103 I HA 0.547 4.790 4.170 -0.137 -0.155 0.298 103 I C -3.083 172.992 176.117 -0.070 0.000 1.176 103 I CA -1.525 59.651 61.300 -0.208 0.000 1.025 103 I CB 4.173 41.919 38.000 -0.424 0.000 1.243 103 I HN -0.191 7.811 8.210 -0.286 0.037 0.424 104 M N 6.201 125.831 119.600 0.051 0.000 2.421 104 M HA 0.702 5.503 4.480 0.236 -0.180 0.287 104 M C -2.783 173.645 176.300 0.213 0.000 1.183 104 M CA -1.043 54.349 55.300 0.153 0.000 0.916 104 M CB 4.801 37.447 32.600 0.077 0.000 1.701 104 M HN 0.345 8.660 8.290 0.042 0.000 0.470 105 L N 3.131 124.518 121.223 0.273 0.000 2.334 105 L HA 0.829 5.485 4.340 0.256 -0.163 0.276 105 L C -1.261 175.799 176.870 0.316 0.000 1.014 105 L CA -1.503 53.511 54.840 0.291 0.000 0.815 105 L CB 3.176 45.382 42.059 0.245 0.000 1.268 105 L HN 0.384 8.799 8.230 0.309 0.000 0.428 106 I N 0.860 121.599 120.570 0.282 0.000 2.465 106 I HA 0.594 5.002 4.170 0.100 -0.178 0.291 106 I C -1.587 174.482 176.117 -0.081 0.000 1.014 106 I CA -1.431 59.932 61.300 0.105 0.000 1.093 106 I CB 3.103 41.133 38.000 0.050 0.000 1.267 106 I HN 0.681 9.078 8.210 0.313 0.000 0.431 107 K N 6.342 126.502 120.400 -0.400 0.000 2.156 107 K HA 0.658 4.307 4.320 -1.374 -0.154 0.271 107 K C -1.087 175.225 176.600 -0.480 0.000 0.995 107 K CA -1.851 53.845 56.287 -0.986 0.000 0.890 107 K CB 3.047 34.803 32.500 -1.241 0.000 1.073 107 K HN 0.616 8.718 8.250 -0.248 0.000 0.454 108 L N 3.806 124.779 121.223 -0.416 0.000 2.399 108 L HA 0.268 4.612 4.340 -0.168 -0.105 0.266 108 L C 1.754 178.507 176.870 -0.195 0.000 1.114 108 L CA -0.352 54.357 54.840 -0.219 0.000 0.804 108 L CB 0.577 42.549 42.059 -0.145 0.000 1.146 108 L HN 0.722 8.527 8.230 -0.537 0.103 0.451 109 K N 2.629 122.954 120.400 -0.125 0.000 2.097 109 K HA -0.311 3.944 4.320 -0.109 0.000 0.206 109 K C -0.569 175.981 176.600 -0.083 0.000 1.049 109 K CA 2.557 58.787 56.287 -0.096 0.000 0.933 109 K CB 0.406 32.869 32.500 -0.062 0.000 0.717 109 K HN 0.586 8.775 8.250 -0.102 0.000 0.442 110 S N -4.160 111.497 115.700 -0.071 0.000 2.627 110 S HA 0.116 4.553 4.470 -0.055 0.000 0.283 110 S C -1.715 172.855 174.600 -0.051 0.000 1.127 110 S CA -1.093 57.076 58.200 -0.052 0.000 0.863 110 S CB 2.666 65.847 63.200 -0.031 0.000 1.121 110 S HN -0.394 7.876 8.310 -0.067 0.000 0.479 111 A N -0.603 122.196 122.820 -0.035 0.000 2.407 111 A HA 0.104 4.565 4.320 -0.032 -0.160 0.248 111 A C -0.209 177.371 177.584 -0.007 0.000 1.082 111 A CA -0.131 51.893 52.037 -0.020 0.000 0.785 111 A CB 0.564 19.562 19.000 -0.004 0.000 1.020 111 A HN 0.209 8.341 8.150 -0.029 0.000 0.489 112 A N 0.908 123.731 122.820 0.005 0.000 2.304 112 A HA 0.183 4.583 4.320 0.010 -0.074 0.271 112 A C -0.539 177.055 177.584 0.017 0.000 1.091 112 A CA -1.219 50.828 52.037 0.015 0.000 0.812 112 A CB 1.379 20.396 19.000 0.030 0.000 1.056 112 A HN 0.280 8.326 8.150 0.009 0.110 0.489 113 S N 0.012 115.721 115.700 0.014 0.000 2.452 113 S HA 0.113 4.592 4.470 0.014 0.000 0.284 113 S C -0.579 174.034 174.600 0.021 0.000 1.171 113 S CA -0.689 57.519 58.200 0.013 0.000 1.064 113 S CB 0.558 63.760 63.200 0.004 0.000 0.967 113 S HN 0.057 8.736 8.310 0.012 -0.362 0.484 114 L N 5.723 126.962 121.223 0.026 0.000 2.399 114 L HA 0.186 4.660 4.340 0.038 -0.110 0.266 114 L C -0.471 176.416 176.870 0.028 0.000 1.114 114 L CA -0.209 54.652 54.840 0.034 0.000 0.804 114 L CB 0.795 42.879 42.059 0.041 0.000 1.146 114 L HN 0.199 8.444 8.230 0.025 0.000 0.451 115 N N 1.864 120.582 118.700 0.030 0.000 3.658 115 N HA 0.119 4.872 4.740 0.022 0.000 0.353 115 N C -1.492 174.035 175.510 0.029 0.000 1.513 115 N CA -0.333 52.731 53.050 0.024 0.000 0.756 115 N CB 0.537 39.034 38.487 0.017 0.000 2.702 115 N HN 0.477 8.879 8.380 0.036 0.000 0.534 116 S N -3.461 112.254 115.700 0.024 0.000 2.524 116 S HA 0.010 4.500 4.470 0.033 0.000 0.216 116 S C 0.580 175.195 174.600 0.025 0.000 0.987 116 S CA 1.567 59.783 58.200 0.027 0.000 0.909 116 S CB 0.377 63.589 63.200 0.021 0.000 0.781 116 S HN 0.024 8.346 8.310 0.019 0.000 0.521 117 R N -1.014 119.499 120.500 0.021 0.000 2.237 117 R HA 0.185 4.531 4.340 0.011 0.000 0.195 117 R C -1.255 175.058 176.300 0.023 0.000 0.956 117 R CA 0.095 56.206 56.100 0.017 0.000 1.029 117 R CB 1.279 31.589 30.300 0.015 0.000 0.972 117 R HN 0.091 8.700 8.270 0.021 -0.327 0.493 118 V N -1.551 118.383 119.914 0.033 0.000 2.443 118 V HA 0.296 4.635 4.120 0.048 -0.190 0.293 118 V C -2.193 173.937 176.094 0.061 0.000 1.021 118 V CA -1.106 61.222 62.300 0.047 0.000 0.848 118 V CB 2.668 34.517 31.823 0.044 0.000 0.998 118 V HN -0.610 7.789 8.190 0.032 -0.190 0.424 119 A N 6.382 129.254 122.820 0.088 0.000 2.587 119 A HA 0.487 4.857 4.320 0.082 0.000 0.293 119 A C -2.790 174.882 177.584 0.146 0.000 1.087 119 A CA -0.990 51.110 52.037 0.104 0.000 0.692 119 A CB 3.358 22.421 19.000 0.105 0.000 1.291 119 A HN 0.251 8.350 8.150 0.098 0.110 0.407 120 S N -1.349 114.423 115.700 0.120 0.000 2.652 120 S HA 0.547 5.259 4.470 0.152 -0.150 0.270 120 S C -0.523 174.132 174.600 0.091 0.000 1.243 120 S CA -1.115 57.156 58.200 0.119 0.000 0.999 120 S CB 1.513 64.763 63.200 0.084 0.000 0.973 120 S HN 0.009 8.375 8.310 0.093 0.000 0.544 121 I N 0.634 121.214 120.570 0.018 0.000 2.648 121 I HA 0.227 4.337 4.170 -0.099 0.000 0.304 121 I C -1.079 174.991 176.117 -0.077 0.000 1.009 121 I CA -1.585 59.635 61.300 -0.133 0.000 1.114 121 I CB 3.848 41.556 38.000 -0.487 0.000 1.293 121 I HN 0.007 8.238 8.210 0.035 0.000 0.449 122 S N 5.953 121.607 115.700 -0.077 0.000 2.601 122 S HA 0.257 4.712 4.470 -0.024 0.000 0.271 122 S C -0.581 173.992 174.600 -0.044 0.000 1.305 122 S CA -0.412 57.762 58.200 -0.043 0.000 1.022 122 S CB 0.867 64.047 63.200 -0.033 0.000 0.940 122 S HN 0.204 8.457 8.310 -0.095 0.000 0.525 123 L N 2.083 123.294 121.223 -0.021 0.000 2.439 123 L HA 0.150 4.488 4.340 -0.003 0.000 0.261 123 L C -1.303 175.563 176.870 -0.008 0.000 1.153 123 L CA -1.892 52.946 54.840 -0.004 0.000 0.808 123 L CB 0.033 42.098 42.059 0.010 0.000 1.126 123 L HN 0.206 8.427 8.230 -0.016 0.000 0.460 124 P HA 0.137 4.545 4.420 -0.020 0.000 0.278 124 P C -1.313 175.984 177.300 -0.004 0.000 1.258 124 P CA -0.781 62.313 63.100 -0.010 0.000 0.811 124 P CB 0.896 32.589 31.700 -0.012 0.000 1.063 128 c N 0.506 119.078 118.600 -0.046 0.000 2.480 128 c HA 0.084 4.613 4.570 -0.069 0.000 0.358 128 c C -0.051 173.977 174.090 -0.104 0.000 1.309 128 c CA -0.612 55.673 56.329 -0.072 0.000 2.465 128 c CB 0.531 43.004 42.510 -0.062 0.000 2.379 128 c HN -0.037 8.169 8.230 -0.040 0.000 0.642 129 A N 0.338 123.058 122.820 -0.166 0.000 2.269 129 A HA 0.116 4.361 4.320 -0.125 0.000 0.319 129 A C -1.048 176.432 177.584 -0.173 0.000 1.110 129 A CA -0.484 51.448 52.037 -0.175 0.000 0.847 129 A CB 1.445 20.303 19.000 -0.237 0.000 1.161 129 A HN 0.213 8.232 8.150 -0.218 0.000 0.497 133 G N 0.797 109.558 108.800 -0.065 0.000 2.299 133 G HA2 -0.289 3.639 3.960 -0.053 0.000 0.237 133 G HA3 -0.289 3.644 3.960 -0.045 0.000 0.237 133 G C 0.215 175.077 174.900 -0.062 0.000 1.027 133 G CA 0.030 45.097 45.100 -0.055 0.000 0.619 133 G HN 0.769 8.912 8.290 -0.068 0.106 0.513 134 T N 4.216 118.721 114.554 -0.081 0.000 2.908 134 T HA -0.197 4.116 4.350 -0.063 0.000 0.301 134 T C -0.856 173.800 174.700 -0.075 0.000 1.019 134 T CA 2.428 64.479 62.100 -0.081 0.000 1.152 134 T CB 0.695 69.495 68.868 -0.114 0.000 0.966 134 T HN -0.496 7.592 8.240 -0.093 0.096 0.540 135 Q N 6.059 125.829 119.800 -0.049 0.000 2.267 135 Q HA 0.161 4.590 4.340 -0.039 -0.112 0.255 135 Q C -0.916 175.067 176.000 -0.027 0.000 0.923 135 Q CA 0.422 56.208 55.803 -0.029 0.000 0.925 135 Q CB 1.366 30.103 28.738 -0.002 0.000 1.195 135 Q HN 0.188 8.433 8.270 -0.041 0.000 0.417 136 c N 3.212 121.798 118.600 -0.024 0.000 2.971 136 c HA 0.515 5.177 4.570 -0.017 -0.102 0.310 136 c C -1.837 172.260 174.090 0.011 0.000 1.285 136 c CA -1.465 54.852 56.329 -0.021 0.000 1.593 136 c CB 4.200 46.676 42.510 -0.056 0.000 2.076 136 c HN 0.912 9.015 8.230 -0.023 0.113 0.472 137 L N 1.090 122.327 121.223 0.023 0.000 2.313 137 L HA 0.885 5.442 4.340 0.053 -0.185 0.283 137 L C -2.096 174.789 176.870 0.024 0.000 1.013 137 L CA -1.352 53.515 54.840 0.045 0.000 0.816 137 L CB 3.003 45.111 42.059 0.081 0.000 1.236 137 L HN 0.653 8.785 8.230 0.017 0.108 0.419 138 I N 7.428 127.998 120.570 -0.001 0.000 2.474 138 I HA 0.844 5.247 4.170 0.010 -0.227 0.294 138 I C -1.312 174.773 176.117 -0.052 0.000 1.005 138 I CA -1.537 59.758 61.300 -0.008 0.000 1.113 138 I CB 2.530 40.530 38.000 0.001 0.000 1.289 138 I HN 0.970 9.181 8.210 0.002 0.000 0.436 139 S N 2.270 117.932 115.700 -0.064 0.000 2.588 139 S HA 1.023 5.521 4.470 -0.226 -0.163 0.275 139 S C -1.162 173.315 174.600 -0.206 0.000 1.130 139 S CA -1.764 56.323 58.200 -0.189 0.000 0.855 139 S CB 3.739 66.792 63.200 -0.244 0.000 1.116 139 S HN -0.203 8.100 8.310 -0.011 0.000 0.472 140 G N -1.187 107.396 108.800 -0.361 0.000 2.316 140 G HA2 0.165 3.876 3.960 -0.415 0.000 0.296 140 G HA3 0.165 4.243 3.960 -0.063 -0.156 0.296 140 G C -2.336 172.338 174.900 -0.376 0.000 1.399 140 G CA 0.571 45.486 45.100 -0.309 0.000 0.833 140 G HN 0.210 8.230 8.290 -0.452 0.000 0.565 141 W N 0.859 122.126 121.300 -0.055 0.000 3.015 141 W HA 0.375 4.998 4.660 -0.062 0.000 0.429 141 W C -0.280 176.296 176.519 0.096 0.000 0.976 141 W CA -1.002 56.283 57.345 -0.100 0.000 2.086 141 W CB 0.254 29.446 29.460 -0.445 0.000 1.125 141 W HN 0.598 8.933 8.180 0.258 0.000 0.721 142 G N 0.732 109.715 108.800 0.306 0.000 2.588 142 G HA2 -0.015 4.311 3.960 0.602 0.000 0.281 142 G HA3 -0.015 4.304 3.960 0.312 -0.173 0.281 142 G C -0.946 174.085 174.900 0.217 0.000 1.236 142 G CA -0.908 44.423 45.100 0.384 0.000 0.969 142 G HN -0.523 8.026 8.290 0.187 -0.146 0.504 143 N N -0.434 118.300 118.700 0.056 0.000 2.293 143 N HA -0.321 4.129 4.740 -0.795 -0.187 0.253 143 N C 0.849 176.266 175.510 -0.155 0.000 1.248 143 N CA 1.163 53.991 53.050 -0.371 0.000 0.845 143 N CB 0.583 38.849 38.487 -0.368 0.000 1.073 143 N HN 0.266 8.808 8.380 0.270 0.000 0.464 144 T N 0.507 114.961 114.554 -0.168 0.000 3.092 144 T HA 0.212 4.669 4.350 -0.053 -0.139 0.258 144 T C 0.095 174.753 174.700 -0.071 0.000 1.031 144 T CA 0.230 62.282 62.100 -0.080 0.000 0.925 144 T CB 1.210 70.045 68.868 -0.055 0.000 1.036 144 T HN 0.320 8.412 8.240 -0.247 0.000 0.544 145 K N 2.415 122.758 120.400 -0.095 0.000 2.259 145 K HA 0.299 4.595 4.320 -0.041 0.000 0.252 145 K C -0.385 176.190 176.600 -0.043 0.000 0.936 145 K CA -1.113 55.137 56.287 -0.061 0.000 0.810 145 K CB 2.785 35.245 32.500 -0.067 0.000 1.143 145 K HN -0.647 7.736 8.250 -0.149 -0.222 0.427 146 S N 0.479 116.168 115.700 -0.018 0.000 2.446 146 S HA -0.101 4.373 4.470 0.005 0.000 0.225 146 S C -0.213 174.389 174.600 0.003 0.000 1.016 146 S CA 1.693 59.893 58.200 0.001 0.000 0.943 146 S CB 0.882 64.088 63.200 0.011 0.000 0.786 146 S HN 0.095 8.396 8.310 -0.015 0.000 0.508 147 S N 1.648 117.346 115.700 -0.003 0.000 2.516 147 S HA 0.190 4.665 4.470 0.009 0.000 0.268 147 S C -0.879 173.717 174.600 -0.005 0.000 1.251 147 S CA -0.175 58.026 58.200 0.002 0.000 1.153 147 S CB -0.012 63.191 63.200 0.005 0.000 1.009 147 S HN -0.554 7.726 8.310 -0.009 0.024 0.479 148 G N 2.109 110.906 108.800 -0.005 0.000 2.440 148 G HA2 -0.218 3.747 3.960 0.009 0.000 0.684 148 G HA3 -0.218 3.736 3.960 -0.010 0.000 0.684 148 G C -2.698 172.178 174.900 -0.040 0.000 1.309 148 G CA -0.816 44.279 45.100 -0.008 0.000 0.931 148 G HN -0.222 8.069 8.290 0.002 0.000 0.612 149 T N -3.458 111.074 114.554 -0.037 0.000 2.797 149 T HA 0.076 4.411 4.350 -0.274 -0.149 0.279 149 T C -1.334 173.258 174.700 -0.181 0.000 0.991 149 T CA -1.534 60.482 62.100 -0.140 0.000 0.979 149 T CB 1.799 70.721 68.868 0.091 0.000 0.943 149 T HN -0.165 8.077 8.240 0.003 0.000 0.444 150 S N 3.967 119.440 115.700 -0.379 0.000 2.737 150 S HA 0.206 4.650 4.470 -0.043 0.000 0.269 150 S C -2.115 172.298 174.600 -0.311 0.000 1.150 150 S CA -0.324 57.767 58.200 -0.181 0.000 1.077 150 S CB 1.016 64.153 63.200 -0.104 0.000 1.075 150 S HN 0.705 9.014 8.310 -0.636 -0.381 0.476 151 Y N 5.650 125.991 120.300 0.068 0.000 2.342 151 Y HA 0.232 4.840 4.550 0.096 0.000 0.334 151 Y C -0.806 175.144 175.900 0.083 0.000 1.067 151 Y CA -2.673 55.480 58.100 0.090 0.000 1.128 151 Y CB 1.003 39.528 38.460 0.109 0.000 1.200 151 Y HN 0.099 8.514 8.280 0.224 0.000 0.464 152 P HA 0.271 4.766 4.420 0.125 0.000 0.281 152 P C -1.606 175.816 177.300 0.205 0.000 1.281 152 P CA -1.106 62.093 63.100 0.164 0.000 0.811 152 P CB 1.990 33.758 31.700 0.114 0.000 1.154 153 D N -2.827 117.672 120.400 0.164 0.000 2.323 153 D HA -0.015 4.693 4.640 0.114 0.000 0.218 153 D C -0.779 175.665 176.300 0.241 0.000 0.973 153 D CA 1.781 55.869 54.000 0.146 0.000 0.890 153 D CB 0.997 41.854 40.800 0.094 0.000 1.011 153 D HN 0.374 8.823 8.370 0.131 0.000 0.499 154 V N -7.233 112.819 119.914 0.230 0.000 2.850 154 V HA 0.777 5.426 4.120 0.394 -0.292 0.315 154 V C -0.498 175.661 176.094 0.108 0.000 1.064 154 V CA -2.635 59.814 62.300 0.249 0.000 0.979 154 V CB 2.130 34.021 31.823 0.114 0.000 1.039 154 V HN -0.946 7.340 8.190 0.159 0.000 0.452 155 L N 2.331 123.501 121.223 -0.089 0.000 2.499 155 L HA -0.079 3.458 4.340 -1.339 0.000 0.273 155 L C -0.529 176.091 176.870 -0.417 0.000 1.195 155 L CA 0.965 55.395 54.840 -0.684 0.000 0.882 155 L CB 0.445 42.086 42.059 -0.698 0.000 1.133 155 L HN -0.113 8.344 8.230 0.124 -0.152 0.483 156 K N 5.720 125.852 120.400 -0.447 0.000 2.208 156 K HA 0.728 5.026 4.320 -0.316 -0.167 0.247 156 K C -1.146 175.200 176.600 -0.423 0.000 0.953 156 K CA -2.562 53.518 56.287 -0.344 0.000 0.837 156 K CB 2.590 34.950 32.500 -0.233 0.000 1.131 156 K HN -0.133 7.776 8.250 -0.568 0.000 0.431 157 c N -0.518 117.727 118.600 -0.591 0.000 2.707 157 c HA 0.968 5.468 4.570 -0.405 -0.173 0.313 157 c C -1.757 171.957 174.090 -0.628 0.000 1.209 157 c CA -0.773 55.156 56.329 -0.667 0.000 1.635 157 c CB 3.554 45.514 42.510 -0.917 0.000 2.206 157 c HN 0.775 8.479 8.230 -0.699 0.106 0.485 158 L N 0.056 121.122 121.223 -0.262 0.000 2.513 158 L HA 0.379 4.747 4.340 0.047 0.000 0.261 158 L C -2.531 174.399 176.870 0.100 0.000 0.945 158 L CA 0.138 54.968 54.840 -0.017 0.000 0.848 158 L CB 4.500 46.574 42.059 0.025 0.000 1.334 158 L HN 0.750 8.866 8.230 -0.190 0.000 0.407 159 K N 5.332 125.856 120.400 0.207 0.000 2.213 159 K HA 0.887 5.503 4.320 0.127 -0.220 0.270 159 K C -0.956 175.780 176.600 0.227 0.000 1.002 159 K CA -1.504 54.893 56.287 0.183 0.000 0.868 159 K CB 1.343 33.959 32.500 0.193 0.000 1.093 159 K HN 0.339 8.743 8.250 0.257 0.000 0.454 160 A N 4.379 127.269 122.820 0.117 0.000 2.515 160 A HA 0.605 4.930 4.320 0.009 0.000 0.298 160 A C -3.383 174.139 177.584 -0.102 0.000 1.059 160 A CA -2.854 49.186 52.037 0.005 0.000 0.698 160 A CB 2.981 21.989 19.000 0.013 0.000 1.289 160 A HN 0.852 9.038 8.150 0.060 0.000 0.404 161 P HA 0.693 5.263 4.420 -0.099 -0.209 0.284 161 P C -0.979 176.254 177.300 -0.112 0.000 1.258 161 P CA -1.413 61.598 63.100 -0.147 0.000 0.824 161 P CB 1.463 33.070 31.700 -0.155 0.000 1.038 162 I N 0.349 120.869 120.570 -0.083 0.000 2.529 162 I HA -0.055 4.278 4.170 0.080 -0.114 0.284 162 I C 0.086 176.190 176.117 -0.022 0.000 1.082 162 I CA 0.625 61.903 61.300 -0.036 0.000 1.406 162 I CB 0.372 38.263 38.000 -0.182 0.000 1.405 162 I HN 0.169 8.319 8.210 -0.100 0.000 0.548 163 L N 6.395 127.642 121.223 0.039 0.000 2.416 163 L HA 0.295 4.625 4.340 -0.017 0.000 0.262 163 L C -0.179 176.707 176.870 0.025 0.000 1.093 163 L CA -1.116 53.734 54.840 0.017 0.000 0.801 163 L CB 0.759 42.837 42.059 0.031 0.000 1.191 163 L HN 0.447 8.642 8.230 0.123 0.109 0.459 164 S N -1.572 114.136 115.700 0.013 0.000 2.593 164 S HA -0.091 4.383 4.470 0.006 0.000 0.269 164 S C 0.410 175.031 174.600 0.036 0.000 1.334 164 S CA -0.918 57.291 58.200 0.014 0.000 1.015 164 S CB 1.724 64.927 63.200 0.006 0.000 0.912 164 S HN 0.007 8.320 8.310 0.005 0.000 0.541 165 D N 1.504 121.926 120.400 0.037 0.000 2.144 165 D HA -0.234 4.451 4.640 0.074 0.000 0.199 165 D C 1.749 178.077 176.300 0.047 0.000 0.984 165 D CA 3.285 57.317 54.000 0.053 0.000 0.834 165 D CB -0.276 40.552 40.800 0.046 0.000 0.955 165 D HN 0.547 8.932 8.370 0.025 0.000 0.465 166 S N -1.161 114.558 115.700 0.031 0.000 2.368 166 S HA -0.325 4.163 4.470 0.031 0.000 0.225 166 S C 2.213 176.828 174.600 0.025 0.000 1.030 166 S CA 3.596 61.812 58.200 0.026 0.000 0.999 166 S CB -0.275 62.934 63.200 0.016 0.000 0.844 166 S HN 0.012 8.336 8.310 0.025 0.000 0.459 167 S N 3.284 118.996 115.700 0.021 0.000 2.383 167 S HA -0.243 4.227 4.470 0.001 0.000 0.227 167 S C 1.862 176.474 174.600 0.020 0.000 1.026 167 S CA 3.844 62.051 58.200 0.011 0.000 0.981 167 S CB -0.171 63.033 63.200 0.007 0.000 0.818 167 S HN -0.547 7.775 8.310 0.021 0.000 0.472 168 c N 3.553 122.185 118.600 0.053 0.000 2.436 168 c HA -0.304 4.324 4.570 0.098 0.000 0.277 168 c C 1.663 175.822 174.090 0.116 0.000 1.241 168 c CA 2.785 59.172 56.329 0.097 0.000 1.721 168 c CB -1.712 40.867 42.510 0.115 0.000 2.043 168 c HN -0.297 7.966 8.230 0.054 0.000 0.472 169 K N -1.054 119.404 120.400 0.096 0.000 2.147 169 K HA -0.330 4.077 4.320 0.144 0.000 0.205 169 K C 2.455 179.094 176.600 0.065 0.000 1.049 169 K CA 3.017 59.364 56.287 0.100 0.000 0.936 169 K CB -0.286 32.260 32.500 0.077 0.000 0.722 169 K HN 0.159 8.458 8.250 0.081 0.000 0.446 170 S N -1.457 114.260 115.700 0.029 0.000 2.406 170 S HA -0.184 4.293 4.470 0.011 0.000 0.228 170 S C 1.275 175.848 174.600 -0.044 0.000 1.020 170 S CA 2.530 60.730 58.200 0.000 0.000 0.965 170 S CB -0.085 63.110 63.200 -0.008 0.000 0.798 170 S HN -0.092 8.038 8.310 0.029 0.198 0.488 171 A N -0.256 122.508 122.820 -0.093 0.000 1.930 171 A HA -0.099 4.066 4.320 -0.257 0.000 0.215 171 A C -0.219 177.097 177.584 -0.447 0.000 1.176 171 A CA 1.963 53.815 52.037 -0.308 0.000 0.632 171 A CB 0.865 19.611 19.000 -0.424 0.000 0.819 171 A HN -0.558 7.443 8.150 -0.046 0.121 0.445 172 Y N -5.668 114.670 120.300 0.064 0.000 2.495 172 Y HA 0.464 5.089 4.550 0.124 0.000 0.362 172 Y C -2.473 173.490 175.900 0.104 0.000 0.956 172 Y CA -3.720 54.453 58.100 0.122 0.000 1.127 172 Y CB -0.341 38.243 38.460 0.206 0.000 1.173 172 Y HN -0.523 7.800 8.280 0.070 0.000 0.639 173 P HA -0.126 4.483 4.420 0.105 -0.126 0.262 173 P C 0.890 178.260 177.300 0.117 0.000 1.182 173 P CA 1.202 64.368 63.100 0.111 0.000 0.761 173 P CB 0.089 31.826 31.700 0.063 0.000 0.795 174 G N 3.765 112.625 108.800 0.099 0.000 2.175 174 G HA2 -0.369 3.628 3.960 0.063 0.000 0.265 174 G HA3 -0.369 3.625 3.960 0.057 0.000 0.265 174 G C 0.101 175.053 174.900 0.087 0.000 0.979 174 G CA 0.726 45.871 45.100 0.076 0.000 0.663 174 G HN 0.509 8.856 8.290 0.094 0.000 0.533 175 Q N -2.597 117.292 119.800 0.149 0.000 2.189 175 Q HA 0.088 4.460 4.340 0.054 0.000 0.223 175 Q C -0.709 175.427 176.000 0.227 0.000 0.828 175 Q CA -0.540 55.352 55.803 0.148 0.000 0.967 175 Q CB 1.448 30.299 28.738 0.188 0.000 1.139 175 Q HN -0.241 8.087 8.270 0.195 0.059 0.497 176 I N 0.270 120.966 120.570 0.210 0.000 2.321 176 I HA 0.050 4.370 4.170 0.251 0.000 0.291 176 I C -0.171 176.024 176.117 0.131 0.000 0.998 176 I CA -1.972 59.444 61.300 0.195 0.000 1.227 176 I CB -0.606 37.498 38.000 0.174 0.000 1.368 176 I HN -0.353 7.965 8.210 0.180 0.000 0.466 177 T N 2.533 117.161 114.554 0.123 0.000 2.910 177 T HA 0.322 4.712 4.350 0.068 0.000 0.279 177 T C 0.597 175.347 174.700 0.083 0.000 0.989 177 T CA -2.004 60.146 62.100 0.083 0.000 0.968 177 T CB 2.190 71.100 68.868 0.070 0.000 1.135 177 T HN -0.457 7.873 8.240 0.150 0.000 0.562 178 S N -2.433 113.302 115.700 0.059 0.000 2.660 178 S HA -0.134 4.376 4.470 0.067 0.000 0.223 178 S C -0.178 174.462 174.600 0.066 0.000 0.963 178 S CA 1.328 59.560 58.200 0.054 0.000 0.932 178 S CB -0.242 62.971 63.200 0.022 0.000 0.775 178 S HN 0.222 8.557 8.310 0.042 0.000 0.531 179 N N 0.428 119.182 118.700 0.091 0.000 2.273 179 N HA 0.152 4.959 4.740 0.111 0.000 0.231 179 N C -1.856 173.770 175.510 0.194 0.000 1.134 179 N CA -0.442 52.692 53.050 0.141 0.000 0.856 179 N CB 1.047 39.642 38.487 0.180 0.000 1.068 179 N HN -0.598 7.739 8.380 0.091 0.098 0.510 180 M N -0.939 118.761 119.600 0.167 0.000 2.550 180 M HA 0.813 5.554 4.480 0.083 -0.212 0.292 180 M C -2.448 173.958 176.300 0.177 0.000 1.221 180 M CA -0.364 55.008 55.300 0.120 0.000 0.873 180 M CB 5.075 37.726 32.600 0.085 0.000 1.727 180 M HN -0.819 7.472 8.290 0.150 0.089 0.459 181 F N -5.640 114.349 119.950 0.067 0.000 2.645 181 F HA 0.620 5.174 4.527 0.046 0.000 0.310 181 F C -2.726 173.121 175.800 0.078 0.000 1.102 181 F CA -1.748 56.289 58.000 0.062 0.000 0.952 181 F CB 2.464 41.500 39.000 0.059 0.000 1.326 181 F HN 0.120 8.263 8.300 -0.261 0.000 0.456 182 c N 0.029 118.791 118.600 0.271 0.000 2.391 182 c HA 0.992 5.794 4.570 0.055 -0.199 0.339 182 c C -1.033 173.255 174.090 0.331 0.000 1.205 182 c CA -0.856 55.580 56.329 0.179 0.000 1.937 182 c CB 2.674 45.257 42.510 0.122 0.000 2.341 182 c HN 0.837 9.260 8.230 0.321 0.000 0.516 183 A N 3.077 126.079 122.820 0.303 0.000 2.476 183 A HA 0.684 5.221 4.320 0.108 -0.152 0.280 183 A C -2.254 175.394 177.584 0.107 0.000 1.081 183 A CA -0.414 51.729 52.037 0.177 0.000 0.753 183 A CB 2.673 21.724 19.000 0.085 0.000 1.248 183 A HN 0.297 8.647 8.150 0.333 0.000 0.424 184 Y N 3.067 123.402 120.300 0.059 0.000 2.425 184 Y HA 0.108 4.680 4.550 0.036 0.000 0.347 184 Y C 0.898 176.815 175.900 0.028 0.000 0.976 184 Y CA -0.368 57.756 58.100 0.039 0.000 1.190 184 Y CB 0.332 38.813 38.460 0.035 0.000 1.136 184 Y HN 0.236 8.656 8.280 0.232 0.000 0.517 185 L N 4.082 125.371 121.223 0.110 0.000 2.265 185 L HA -0.340 4.027 4.340 0.046 0.000 0.215 185 L C 1.105 178.018 176.870 0.072 0.000 1.117 185 L CA 2.352 57.230 54.840 0.063 0.000 0.782 185 L CB -0.430 41.646 42.059 0.029 0.000 0.914 185 L HN 0.521 8.796 8.230 0.075 0.000 0.441 186 E N -2.248 118.014 120.200 0.104 0.000 2.482 186 E HA -0.117 4.262 4.350 0.048 0.000 0.196 186 E C 0.833 177.471 176.600 0.063 0.000 1.047 186 E CA 0.128 56.570 56.400 0.071 0.000 0.869 186 E CB -0.592 29.148 29.700 0.067 0.000 0.836 186 E HN 0.075 8.489 8.360 0.150 0.037 0.520 187 G N 0.853 109.708 108.800 0.091 0.000 3.405 187 G HA2 -0.385 3.626 3.960 0.085 0.000 0.676 187 G HA3 -0.385 3.602 3.960 0.046 0.000 0.676 187 G C -0.896 174.027 174.900 0.040 0.000 1.039 187 G CA -0.139 45.002 45.100 0.068 0.000 0.855 187 G HN -0.362 7.829 8.290 0.137 0.182 0.443 188 K N 1.396 121.794 120.400 -0.003 0.000 7.396 188 K HA -0.602 3.967 4.320 0.004 -0.246 0.647 188 K C -1.326 175.363 176.600 0.147 0.000 2.584 188 K CA 0.452 56.750 56.287 0.018 0.000 1.938 188 K CB -0.024 32.392 32.500 -0.139 0.000 1.962 188 K HN 0.154 8.430 8.250 0.042 0.000 0.295 189 D N 0.190 120.665 120.400 0.126 0.000 2.764 189 D HA 0.275 5.039 4.640 0.207 0.000 0.293 189 D C -1.913 174.459 176.300 0.120 0.000 1.287 189 D CA -0.565 53.526 54.000 0.151 0.000 0.768 189 D CB 4.144 45.015 40.800 0.118 0.000 1.288 189 D HN 0.192 8.612 8.370 0.083 0.000 0.426 190 S N -1.762 114.020 115.700 0.138 0.000 2.707 190 S HA 0.297 4.888 4.470 0.099 -0.062 0.276 190 S C -1.365 173.286 174.600 0.084 0.000 1.179 190 S CA -0.508 57.764 58.200 0.121 0.000 0.992 190 S CB 1.673 64.983 63.200 0.183 0.000 1.030 190 S HN 0.270 8.677 8.310 0.162 0.000 0.554 191 c N -1.205 117.450 118.600 0.091 0.000 3.316 191 c HA 0.360 4.976 4.570 0.077 0.000 0.360 191 c C -1.286 172.890 174.090 0.144 0.000 1.560 191 c CA -1.004 55.380 56.329 0.091 0.000 1.229 191 c CB 2.950 45.495 42.510 0.058 0.000 1.823 191 c HN 0.240 8.815 8.230 0.108 -0.281 0.440 192 Q N 1.171 121.072 119.800 0.167 0.000 2.349 192 Q HA -0.217 4.256 4.340 0.221 0.000 0.287 192 Q C 0.705 176.913 176.000 0.347 0.000 1.044 192 Q CA 1.207 57.155 55.803 0.242 0.000 0.918 192 Q CB -0.110 28.776 28.738 0.246 0.000 1.242 192 Q HN 0.455 8.806 8.270 0.135 0.000 0.405 193 G N 4.667 113.665 108.800 0.330 0.000 2.254 193 G HA2 -0.434 3.705 3.960 0.298 0.000 0.225 193 G HA3 -0.434 3.842 3.960 0.527 0.000 0.225 193 G C 0.469 175.596 174.900 0.378 0.000 1.003 193 G CA 0.994 46.330 45.100 0.394 0.000 0.622 193 G HN 0.755 9.212 8.290 0.279 0.000 0.507 194 D N 2.116 122.683 120.400 0.278 0.000 2.305 194 D HA 0.075 4.856 4.640 0.235 0.000 0.206 194 D C 0.171 176.577 176.300 0.177 0.000 0.974 194 D CA 1.121 55.250 54.000 0.214 0.000 0.871 194 D CB 0.578 41.473 40.800 0.159 0.000 0.947 194 D HN -0.083 8.335 8.370 0.258 0.107 0.516 195 S N -0.574 115.235 115.700 0.181 0.000 2.599 195 S HA -0.587 4.130 4.470 0.171 -0.144 0.303 195 S C 1.012 175.627 174.600 0.025 0.000 1.267 195 S CA 2.354 60.642 58.200 0.147 0.000 1.055 195 S CB 0.019 63.372 63.200 0.254 0.000 0.790 195 S HN -0.446 7.951 8.310 0.212 0.040 0.500 196 G N 4.461 113.253 108.800 -0.013 0.000 2.253 196 G HA2 -0.451 3.551 3.960 -0.061 0.000 0.251 196 G HA3 -0.451 3.574 3.960 -0.079 -0.113 0.251 196 G C -0.119 174.808 174.900 0.044 0.000 0.998 196 G CA 0.151 45.229 45.100 -0.036 0.000 0.621 196 G HN 0.811 9.117 8.290 0.026 0.000 0.524 197 G N 1.039 109.893 108.800 0.090 0.000 2.621 197 G HA2 0.347 4.448 3.960 0.117 0.000 0.271 197 G HA3 0.347 4.378 3.960 0.120 0.000 0.271 197 G C -2.641 172.336 174.900 0.129 0.000 1.236 197 G CA -1.910 43.260 45.100 0.117 0.000 0.958 197 G HN -0.223 7.951 8.290 0.100 0.176 0.512 198 P HA 0.336 4.945 4.420 0.111 -0.122 0.284 198 P C -1.599 175.755 177.300 0.091 0.000 1.258 198 P CA -0.939 62.240 63.100 0.133 0.000 0.824 198 P CB 1.748 33.580 31.700 0.219 0.000 1.038 199 V N 2.239 122.183 119.914 0.049 0.000 2.419 199 V HA 0.245 4.499 4.120 -0.035 -0.155 0.287 199 V C -1.382 174.712 176.094 -0.000 0.000 1.017 199 V CA -0.399 61.891 62.300 -0.017 0.000 0.844 199 V CB 1.771 33.547 31.823 -0.078 0.000 1.011 199 V HN -0.294 7.931 8.190 0.057 0.000 0.429 200 V N 8.008 127.917 119.914 -0.008 0.000 2.459 200 V HA 0.654 4.920 4.120 -0.077 -0.192 0.295 200 V C -1.329 174.744 176.094 -0.035 0.000 1.029 200 V CA -1.328 60.941 62.300 -0.052 0.000 0.874 200 V CB 2.982 34.751 31.823 -0.091 0.000 0.985 200 V HN 0.559 8.760 8.190 0.018 0.000 0.438 201 c N 7.419 125.986 118.600 -0.055 0.000 2.441 201 c HA 0.583 5.131 4.570 -0.036 0.000 0.318 201 c C 0.225 174.286 174.090 -0.049 0.000 1.222 201 c CA -1.297 55.000 56.329 -0.053 0.000 1.474 201 c CB 2.281 44.739 42.510 -0.086 0.000 2.125 201 c HN 0.677 8.867 8.230 -0.068 0.000 0.479 202 S N 5.155 120.835 115.700 -0.033 0.000 3.549 202 S HA -0.353 4.107 4.470 -0.016 0.000 0.366 202 S C 0.348 174.931 174.600 -0.029 0.000 1.012 202 S CA 1.034 59.217 58.200 -0.027 0.000 1.141 202 S CB -1.236 61.944 63.200 -0.034 0.000 0.910 202 S HN 1.139 9.434 8.310 -0.025 0.000 0.471 203 G N -5.435 103.347 108.800 -0.030 0.000 2.155 203 G HA2 -0.362 3.575 3.960 -0.039 0.000 0.257 203 G HA3 -0.362 3.582 3.960 -0.027 0.000 0.257 203 G C -0.808 174.046 174.900 -0.076 0.000 0.983 203 G CA 0.435 45.510 45.100 -0.042 0.000 0.676 203 G HN 0.296 8.561 8.290 -0.022 0.012 0.528 210 Q N 1.131 120.944 119.800 0.022 0.000 2.396 210 Q HA 0.187 4.558 4.340 0.053 0.000 0.220 210 Q C -0.171 175.983 176.000 0.257 0.000 0.900 210 Q CA 0.259 56.099 55.803 0.061 0.000 0.925 210 Q CB 2.651 31.348 28.738 -0.068 0.000 1.065 210 Q HN 0.237 8.508 8.270 0.002 0.000 0.535 211 G N -3.350 105.620 108.800 0.283 0.000 2.725 211 G HA2 0.637 5.087 3.960 0.409 0.000 0.288 211 G HA3 0.637 4.848 3.960 0.419 0.000 0.288 211 G C -3.207 171.804 174.900 0.185 0.000 1.399 211 G CA -0.831 44.477 45.100 0.346 0.000 0.859 211 G HN -0.442 7.947 8.290 0.165 0.000 0.479 212 I N -1.822 118.855 120.570 0.178 0.000 2.533 212 I HA 0.582 5.073 4.170 0.151 -0.230 0.290 212 I C -0.507 175.746 176.117 0.227 0.000 1.056 212 I CA -1.471 59.923 61.300 0.157 0.000 1.057 212 I CB 4.598 42.650 38.000 0.087 0.000 1.240 212 I HN -0.449 7.939 8.210 0.161 -0.081 0.423 213 V N 6.766 126.829 119.914 0.249 0.000 2.458 213 V HA -0.220 4.003 4.120 0.173 0.000 0.287 213 V C -1.149 174.989 176.094 0.073 0.000 1.009 213 V CA 2.111 64.521 62.300 0.184 0.000 1.091 213 V CB -1.240 30.700 31.823 0.195 0.000 0.960 213 V HN 0.363 8.676 8.190 0.205 0.000 0.476 214 S N 7.546 123.202 115.700 -0.074 0.000 3.142 214 S HA 0.393 5.085 4.470 0.371 0.000 0.223 214 S C -1.375 173.329 174.600 0.173 0.000 0.939 214 S CA 1.190 59.480 58.200 0.149 0.000 0.826 214 S CB 2.228 65.494 63.200 0.111 0.000 0.823 214 S HN -0.137 7.932 8.310 -0.402 0.000 0.612 215 W N -4.482 116.666 121.300 -0.253 0.000 2.940 215 W HA 0.256 4.806 4.660 -0.183 0.000 0.394 215 W C -2.758 173.588 176.519 -0.289 0.000 1.155 215 W CA -0.679 56.519 57.345 -0.245 0.000 1.165 215 W CB 1.343 30.653 29.460 -0.250 0.000 1.492 215 W HN -0.263 7.608 8.180 -0.515 0.000 0.593 216 G N -3.214 105.646 108.800 0.100 0.000 2.356 216 G HA2 0.101 3.817 3.960 -0.408 0.000 0.294 216 G HA3 0.101 4.002 3.960 -0.099 0.000 0.294 216 G C -2.365 172.663 174.900 0.213 0.000 1.423 216 G CA 0.281 45.346 45.100 -0.058 0.000 0.806 216 G HN -0.043 8.464 8.290 0.362 0.000 0.527 220 c N 1.966 120.604 118.600 0.062 0.000 3.359 220 c HA 0.305 5.054 4.570 0.062 -0.141 0.194 220 c C -1.472 172.649 174.090 0.052 0.000 1.659 220 c CA -0.843 55.519 56.329 0.056 0.000 1.338 220 c CB -1.345 41.191 42.510 0.044 0.000 2.109 220 c HN 0.335 8.598 8.230 0.054 0.000 0.518 221 Q N -2.080 117.753 119.800 0.056 0.000 2.889 221 Q HA 0.142 4.503 4.340 0.035 0.000 0.262 221 Q C -1.546 174.477 176.000 0.038 0.000 0.966 221 Q CA -0.753 55.075 55.803 0.043 0.000 0.858 221 Q CB 2.092 30.857 28.738 0.045 0.000 1.845 221 Q HN -0.092 8.217 8.270 0.066 0.000 0.464 222 K N 3.741 124.157 120.400 0.026 0.000 2.436 222 K HA -0.245 4.223 4.320 0.033 -0.129 0.275 222 K C 0.245 176.845 176.600 -0.002 0.000 0.999 222 K CA 0.679 56.978 56.287 0.020 0.000 0.980 222 K CB 0.018 32.527 32.500 0.014 0.000 0.919 222 K HN 0.251 8.515 8.250 0.023 0.000 0.484 223 N N 1.802 120.496 118.700 -0.009 0.000 2.732 223 N HA -0.485 4.228 4.740 -0.045 0.000 0.250 223 N C -1.546 173.893 175.510 -0.118 0.000 1.097 223 N CA 1.784 54.801 53.050 -0.055 0.000 0.812 223 N CB -0.437 38.012 38.487 -0.063 0.000 1.148 223 N HN 0.781 9.043 8.380 0.011 0.126 0.572 224 K N -1.777 118.583 120.400 -0.066 0.000 2.679 224 K HA 0.544 4.658 4.320 -0.344 0.000 0.188 224 K C -2.292 174.350 176.600 0.070 0.000 1.055 224 K CA -3.576 52.664 56.287 -0.077 0.000 1.006 224 K CB -0.190 32.332 32.500 0.036 0.000 1.317 224 K HN -0.714 7.473 8.250 -0.009 0.057 0.584 225 P HA -0.058 4.421 4.420 0.099 0.000 0.274 225 P C -0.592 176.757 177.300 0.082 0.000 1.260 225 P CA -0.429 62.733 63.100 0.105 0.000 0.793 225 P CB 1.147 32.897 31.700 0.083 0.000 1.048 226 G N -2.526 106.280 108.800 0.010 0.000 2.476 226 G HA2 0.372 4.135 3.960 -0.327 0.000 0.269 226 G HA3 0.372 4.177 3.960 -0.257 0.000 0.269 226 G C -1.809 172.743 174.900 -0.580 0.000 1.195 226 G CA -0.853 44.074 45.100 -0.287 0.000 0.843 226 G HN -0.406 7.948 8.290 0.107 0.000 0.545 227 V N 1.534 120.788 119.914 -1.101 0.000 2.555 227 V HA 0.554 4.381 4.120 -0.741 -0.152 0.302 227 V C -0.996 174.326 176.094 -1.286 0.000 1.038 227 V CA -0.955 60.643 62.300 -1.171 0.000 0.887 227 V CB 2.268 32.922 31.823 -1.948 0.000 0.991 227 V HN 0.556 8.072 8.190 -1.124 0.000 0.434 228 Y N 4.897 124.783 120.300 -0.691 0.000 2.499 228 Y HA 0.572 5.032 4.550 -0.379 -0.138 0.347 228 Y C 0.272 175.886 175.900 -0.477 0.000 0.987 228 Y CA -2.229 55.484 58.100 -0.646 0.000 1.044 228 Y CB 3.765 41.586 38.460 -1.066 0.000 1.245 228 Y HN 0.922 8.808 8.280 -0.656 0.000 0.461 229 T N 4.925 119.449 114.554 -0.049 0.000 2.870 229 T HA -0.036 4.522 4.350 0.099 -0.148 0.300 229 T C -0.598 174.228 174.700 0.210 0.000 0.989 229 T CA 1.697 63.844 62.100 0.080 0.000 1.139 229 T CB 0.470 69.371 68.868 0.054 0.000 0.920 229 T HN 0.392 8.635 8.240 0.005 0.000 0.537 230 K N 8.196 128.805 120.400 0.348 0.000 2.127 230 K HA 0.054 4.792 4.320 0.696 0.000 0.261 230 K C 0.949 177.794 176.600 0.409 0.000 1.129 230 K CA -0.378 56.193 56.287 0.472 0.000 0.993 230 K CB -0.419 32.305 32.500 0.374 0.000 1.410 230 K HN 0.012 8.346 8.250 0.315 0.105 0.380 231 V N 6.001 126.138 119.914 0.371 0.000 2.469 231 V HA -0.521 3.889 4.120 0.484 0.000 0.251 231 V C 1.364 177.616 176.094 0.263 0.000 1.064 231 V CA 3.900 66.406 62.300 0.344 0.000 1.066 231 V CB -0.265 31.691 31.823 0.222 0.000 0.667 231 V HN 0.240 8.660 8.190 0.383 0.000 0.461 232 c N -3.032 115.661 118.600 0.155 0.000 2.410 232 c HA -0.240 4.373 4.570 0.072 0.000 0.281 232 c C 1.700 175.810 174.090 0.034 0.000 1.318 232 c CA 1.855 58.228 56.329 0.073 0.000 1.776 232 c CB -2.087 40.437 42.510 0.023 0.000 1.942 232 c HN 0.506 8.808 8.230 0.152 0.019 0.508 233 N N 0.882 119.570 118.700 -0.019 0.000 2.494 233 N HA -0.094 4.548 4.740 -0.162 0.000 0.182 233 N C 0.378 175.653 175.510 -0.392 0.000 1.076 233 N CA 1.249 54.148 53.050 -0.251 0.000 0.908 233 N CB -0.179 38.025 38.487 -0.473 0.000 0.967 233 N HN -0.423 7.952 8.380 0.059 0.041 0.449 234 Y N -4.526 115.843 120.300 0.114 0.000 2.531 234 Y HA 0.170 4.856 4.550 0.226 0.000 0.249 234 Y C -0.047 175.990 175.900 0.229 0.000 1.168 234 Y CA -0.571 57.654 58.100 0.208 0.000 1.226 234 Y CB -0.105 38.496 38.460 0.235 0.000 1.177 234 Y HN -0.124 8.097 8.280 0.202 0.180 0.527 235 V N 1.082 121.132 119.914 0.227 0.000 2.343 235 V HA -0.551 3.666 4.120 0.162 0.000 0.247 235 V C 1.319 177.485 176.094 0.121 0.000 1.051 235 V CA 4.874 67.266 62.300 0.152 0.000 1.036 235 V CB -0.554 31.319 31.823 0.085 0.000 0.654 235 V HN -0.847 7.382 8.190 0.155 0.054 0.451 236 S N 0.066 115.838 115.700 0.120 0.000 2.368 236 S HA -0.335 4.159 4.470 0.040 0.000 0.225 236 S C 1.805 176.479 174.600 0.124 0.000 1.030 236 S CA 3.078 61.330 58.200 0.088 0.000 0.999 236 S CB -0.465 62.782 63.200 0.080 0.000 0.844 236 S HN 0.128 8.506 8.310 0.114 0.000 0.459 237 W N 4.290 125.625 121.300 0.059 0.000 2.355 237 W HA -0.156 4.526 4.660 0.038 0.000 0.309 237 W C 1.459 177.991 176.519 0.021 0.000 1.206 237 W CA 3.100 60.489 57.345 0.074 0.000 1.284 237 W CB -0.056 29.530 29.460 0.211 0.000 1.145 237 W HN -0.398 8.014 8.180 0.387 0.000 0.502 238 I N -1.036 119.548 120.570 0.024 0.000 2.127 238 I HA -0.769 3.016 4.170 -0.643 0.000 0.241 238 I C 1.877 177.770 176.117 -0.375 0.000 1.075 238 I CA 4.596 65.727 61.300 -0.283 0.000 1.334 238 I CB -0.229 37.767 38.000 -0.006 0.000 1.040 238 I HN 0.458 8.879 8.210 0.352 0.000 0.405 239 K N -1.175 119.102 120.400 -0.205 0.000 2.063 239 K HA -0.433 3.742 4.320 -0.242 0.000 0.208 239 K C 2.796 179.250 176.600 -0.243 0.000 1.048 239 K CA 3.755 59.919 56.287 -0.205 0.000 0.928 239 K CB -0.388 32.051 32.500 -0.102 0.000 0.713 239 K HN -0.251 7.944 8.250 -0.092 0.000 0.442 240 Q N -1.690 117.977 119.800 -0.221 0.000 2.046 240 Q HA -0.301 3.947 4.340 -0.153 0.000 0.200 240 Q C 2.603 178.414 176.000 -0.316 0.000 0.975 240 Q CA 3.561 59.242 55.803 -0.204 0.000 0.836 240 Q CB 0.056 28.722 28.738 -0.119 0.000 0.896 240 Q HN 0.287 8.345 8.270 -0.175 0.107 0.428 241 T N 2.964 117.200 114.554 -0.529 0.000 2.746 241 T HA -0.261 3.845 4.350 -0.408 0.000 0.267 241 T C 2.511 176.875 174.700 -0.559 0.000 1.039 241 T CA 4.889 66.631 62.100 -0.596 0.000 1.142 241 T CB -0.196 68.033 68.868 -1.065 0.000 0.866 241 T HN 0.182 7.923 8.240 -0.651 0.108 0.444 242 I N 1.079 121.217 120.570 -0.719 0.000 2.252 242 I HA -0.450 2.959 4.170 -1.268 0.000 0.245 242 I C 1.639 177.532 176.117 -0.373 0.000 1.102 242 I CA 3.666 64.435 61.300 -0.884 0.000 1.385 242 I CB -0.428 36.964 38.000 -1.015 0.000 1.064 242 I HN 0.129 7.919 8.210 -0.700 0.000 0.414 243 A N 0.005 122.660 122.820 -0.276 0.000 1.940 243 A HA -0.249 4.011 4.320 -0.100 0.000 0.219 243 A C 1.514 179.047 177.584 -0.085 0.000 1.176 243 A CA 2.888 54.843 52.037 -0.137 0.000 0.631 243 A CB -0.461 18.467 19.000 -0.119 0.000 0.814 243 A HN -0.095 7.862 8.150 -0.322 0.000 0.446 244 S N -4.274 111.365 115.700 -0.103 0.000 2.631 244 S HA 0.051 4.505 4.470 -0.026 0.000 0.217 244 S C -0.468 174.133 174.600 0.002 0.000 0.958 244 S CA 1.051 59.224 58.200 -0.046 0.000 0.920 244 S CB 0.575 63.740 63.200 -0.059 0.000 0.776 244 S HN -0.313 7.898 8.310 -0.164 0.000 0.517 245 N N 0.000 118.728 118.700 0.047 0.000 1.763 245 N HA 0.000 4.811 4.740 0.118 0.000 0.220 245 N CA 0.000 53.154 53.050 0.174 0.000 0.885 245 N CB 0.000 38.659 38.487 0.287 0.000 1.341 245 N HN 0.000 8.215 8.380 0.009 0.170 0.667