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 1o3j_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 4.181 4.170 0.018 0.000 0.288 16 I C 0.000 176.103 176.117 -0.023 0.000 1.063 16 I CA 0.000 61.291 61.300 -0.014 0.000 1.566 16 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 17 V N 5.885 125.797 119.914 -0.003 0.000 2.435 17 V HA 0.228 4.468 4.120 -0.024 -0.134 0.290 17 V C 0.587 176.677 176.094 -0.007 0.000 1.030 17 V CA -1.507 60.787 62.300 -0.010 0.000 0.881 17 V CB 1.139 32.963 31.823 0.001 0.000 0.983 17 V HN 0.805 9.006 8.190 0.020 0.000 0.445 18 G N 6.690 115.481 108.800 -0.015 0.000 2.153 18 G HA2 -0.394 3.555 3.960 -0.018 0.000 0.252 18 G HA3 -0.394 3.712 3.960 -0.038 -0.169 0.252 18 G C -0.618 174.284 174.900 0.003 0.000 0.994 18 G CA 0.460 45.549 45.100 -0.019 0.000 0.698 18 G HN 0.789 9.069 8.290 -0.017 0.000 0.521 19 G N -1.008 107.792 108.800 0.000 0.000 2.583 19 G HA2 0.479 4.474 3.960 0.071 0.000 0.280 19 G HA3 0.479 4.450 3.960 -0.103 -0.073 0.280 19 G C -1.692 173.245 174.900 0.061 0.000 1.376 19 G CA -0.999 44.100 45.100 -0.002 0.000 1.043 19 G HN -0.690 7.549 8.290 -0.018 0.040 0.538 20 Y N -6.171 114.107 120.300 -0.036 0.000 2.609 20 Y HA 0.386 4.918 4.550 -0.031 0.000 0.342 20 Y C -1.716 174.157 175.900 -0.045 0.000 1.058 20 Y CA -2.945 55.134 58.100 -0.035 0.000 1.055 20 Y CB 1.137 39.580 38.460 -0.029 0.000 1.292 20 Y HN 0.401 8.200 8.280 -0.623 0.108 0.476 21 T N 2.521 117.127 114.554 0.086 0.000 2.817 21 T HA 0.070 4.492 4.350 -0.100 -0.132 0.295 21 T C 0.252 174.968 174.700 0.027 0.000 0.958 21 T CA 1.118 63.216 62.100 -0.003 0.000 1.157 21 T CB -0.174 68.721 68.868 0.045 0.000 0.898 21 T HN 0.021 8.367 8.240 0.176 0.000 0.536 22 c N 6.154 124.677 118.600 -0.127 0.000 2.429 22 c HA -0.095 4.474 4.570 -0.001 0.000 0.277 22 c C 0.299 174.404 174.090 0.024 0.000 1.262 22 c CA 0.661 56.948 56.329 -0.071 0.000 1.733 22 c CB 0.225 42.626 42.510 -0.181 0.000 2.010 22 c HN -0.007 8.097 8.230 -0.211 0.000 0.483 23 G N -1.811 106.990 108.800 0.001 0.000 3.055 23 G HA2 -0.181 3.795 3.960 0.027 0.000 0.685 23 G HA3 -0.181 3.797 3.960 0.030 0.000 0.685 23 G C -1.811 173.090 174.900 0.001 0.000 1.212 23 G CA -0.766 44.346 45.100 0.019 0.000 0.822 23 G HN -0.357 7.918 8.290 -0.026 0.000 0.610 24 A N 3.786 126.615 122.820 0.015 0.000 2.567 24 A HA -0.244 4.272 4.320 0.029 -0.178 0.240 24 A C -0.306 177.283 177.584 0.008 0.000 1.053 24 A CA 1.026 53.076 52.037 0.021 0.000 0.755 24 A CB 0.043 19.063 19.000 0.033 0.000 0.978 24 A HN 0.322 8.486 8.150 0.023 0.000 0.507 25 N N -2.588 116.114 118.700 0.003 0.000 2.693 25 N HA -0.379 4.348 4.740 -0.021 0.000 0.249 25 N C 0.447 175.936 175.510 -0.035 0.000 1.119 25 N CA 1.679 54.721 53.050 -0.013 0.000 0.717 25 N CB -1.260 37.231 38.487 0.007 0.000 1.071 25 N HN 0.577 8.967 8.380 0.017 0.000 0.555 26 T N -3.589 110.935 114.554 -0.050 0.000 3.081 26 T HA 0.021 4.360 4.350 -0.018 0.000 0.255 26 T C 0.047 174.690 174.700 -0.095 0.000 1.113 26 T CA 2.085 64.160 62.100 -0.041 0.000 1.082 26 T CB 0.476 69.335 68.868 -0.016 0.000 0.939 26 T HN -0.499 7.676 8.240 -0.055 0.031 0.506 27 V N 2.567 122.363 119.914 -0.196 0.000 2.271 27 V HA 0.397 4.247 4.120 -0.449 0.000 0.259 27 V C -1.474 174.309 176.094 -0.519 0.000 1.030 27 V CA -3.363 58.667 62.300 -0.450 0.000 0.957 27 V CB 0.427 31.968 31.823 -0.471 0.000 1.186 27 V HN -0.476 7.557 8.190 -0.167 0.057 0.471 28 P HA 0.025 4.503 4.420 -0.091 -0.112 0.225 28 P C 0.241 177.488 177.300 -0.089 0.000 1.148 28 P CA 1.692 64.713 63.100 -0.130 0.000 0.779 28 P CB 0.104 31.803 31.700 -0.001 0.000 0.780 29 Y N -6.281 114.044 120.300 0.041 0.000 2.482 29 Y HA 0.463 5.186 4.550 0.056 -0.140 0.270 29 Y C -0.426 175.509 175.900 0.059 0.000 1.152 29 Y CA -3.073 55.057 58.100 0.050 0.000 1.292 29 Y CB -1.245 37.240 38.460 0.043 0.000 1.070 29 Y HN -0.433 7.238 8.280 -0.936 0.047 0.528 30 Q N 2.849 122.517 119.800 -0.220 0.000 2.313 30 Q HA 0.125 4.641 4.340 0.087 -0.124 0.266 30 Q C -0.295 175.784 176.000 0.130 0.000 0.989 30 Q CA 0.249 56.032 55.803 -0.034 0.000 0.890 30 Q CB 0.924 29.536 28.738 -0.210 0.000 1.200 30 Q HN -0.635 7.263 8.270 -0.528 0.055 0.396 31 V N 1.373 121.401 119.914 0.191 0.000 2.960 31 V HA 0.817 5.173 4.120 0.194 -0.119 0.315 31 V C -1.955 174.291 176.094 0.253 0.000 1.087 31 V CA -2.856 59.556 62.300 0.187 0.000 0.982 31 V CB 3.860 35.743 31.823 0.100 0.000 1.039 31 V HN 0.410 8.708 8.190 0.181 0.000 0.437 32 S N 0.743 116.510 115.700 0.111 0.000 2.454 32 S HA 0.455 5.176 4.470 0.240 -0.107 0.306 32 S C -1.048 173.450 174.600 -0.170 0.000 1.100 32 S CA -2.030 56.178 58.200 0.013 0.000 1.087 32 S CB 1.853 64.837 63.200 -0.360 0.000 1.019 32 S HN 0.100 8.433 8.310 0.039 0.000 0.480 33 L N 7.032 128.025 121.223 -0.382 0.000 2.264 33 L HA 0.472 4.722 4.340 -0.342 -0.115 0.289 33 L C -1.612 174.859 176.870 -0.665 0.000 1.044 33 L CA -0.742 53.743 54.840 -0.592 0.000 0.807 33 L CB 0.764 42.228 42.059 -0.991 0.000 1.192 33 L HN 0.751 8.720 8.230 -0.435 0.000 0.425 38 G N 0.733 109.456 108.800 -0.129 0.000 2.179 38 G HA2 -0.337 3.616 3.960 -0.011 0.000 0.220 38 G HA3 -0.337 3.689 3.960 0.111 0.000 0.220 38 G C -1.897 173.106 174.900 0.173 0.000 0.990 38 G CA 0.224 45.347 45.100 0.038 0.000 0.646 38 G HN 0.298 8.765 8.290 -0.171 -0.280 0.517 39 Y N -7.418 112.852 120.300 -0.049 0.000 2.687 39 Y HA 0.191 4.704 4.550 -0.062 0.000 0.338 39 Y C -2.495 173.402 175.900 -0.005 0.000 1.189 39 Y CA -3.708 54.367 58.100 -0.042 0.000 1.097 39 Y CB 0.718 39.150 38.460 -0.046 0.000 1.342 39 Y HN -1.250 6.862 8.280 -0.320 -0.024 0.461 40 H N 3.032 122.051 119.070 -0.085 0.000 2.848 40 H HA 0.007 4.542 4.556 -0.310 -0.165 0.317 40 H C -0.425 174.864 175.328 -0.064 0.000 1.046 40 H CA -0.188 55.741 56.048 -0.197 0.000 1.470 40 H CB 0.305 29.933 29.762 -0.222 0.000 1.483 40 H HN 0.375 8.745 8.280 0.150 0.000 0.548 41 F N 2.315 121.771 119.950 -0.822 0.000 2.819 41 F HA 0.314 4.702 4.527 -0.233 0.000 0.325 41 F C -1.494 174.030 175.800 -0.460 0.000 1.041 41 F CA -0.658 57.056 58.000 -0.476 0.000 1.184 41 F CB 1.565 40.337 39.000 -0.379 0.000 1.019 41 F HN 0.132 7.748 8.300 -1.141 0.000 0.590 42 c N -1.729 116.154 118.600 -1.195 0.000 3.321 42 c HA 0.373 4.799 4.570 -0.240 0.000 0.329 42 c C -1.673 172.208 174.090 -0.348 0.000 1.394 42 c CA -0.284 55.695 56.329 -0.583 0.000 1.291 42 c CB 4.075 46.267 42.510 -0.528 0.000 1.606 42 c HN -0.820 6.413 8.230 -1.663 0.000 0.463 43 G N -1.095 107.683 108.800 -0.036 0.000 2.705 43 G HA2 0.818 5.070 3.960 0.228 0.000 0.299 43 G HA3 0.818 4.894 3.960 0.193 0.000 0.299 43 G C -2.535 172.380 174.900 0.026 0.000 1.315 43 G CA -1.667 43.509 45.100 0.126 0.000 1.045 43 G HN 0.771 9.041 8.290 -0.033 0.000 0.517 44 G N -4.012 104.839 108.800 0.085 0.000 2.506 44 G HA2 0.516 4.805 3.960 0.064 0.000 0.292 44 G HA3 0.516 4.503 3.960 0.045 0.000 0.292 44 G C -2.930 172.050 174.900 0.134 0.000 1.425 44 G CA 0.347 45.492 45.100 0.075 0.000 0.788 44 G HN -0.599 7.776 8.290 0.141 0.000 0.490 45 S N -0.362 115.425 115.700 0.144 0.000 2.532 45 S HA 0.778 5.600 4.470 0.267 -0.191 0.299 45 S C -1.299 173.404 174.600 0.171 0.000 1.105 45 S CA -0.915 57.403 58.200 0.198 0.000 1.018 45 S CB 3.689 66.989 63.200 0.167 0.000 1.021 45 S HN 0.491 8.872 8.310 0.120 0.000 0.483 46 L N 6.450 127.792 121.223 0.197 0.000 2.313 46 L HA 0.148 4.694 4.340 0.150 -0.116 0.282 46 L C -0.700 176.257 176.870 0.145 0.000 1.092 46 L CA -0.114 54.824 54.840 0.164 0.000 0.831 46 L CB 0.817 42.972 42.059 0.161 0.000 1.159 46 L HN 0.408 8.687 8.230 0.258 0.107 0.442 47 I N 0.347 120.999 120.570 0.137 0.000 4.035 47 I HA 0.466 4.829 4.170 0.069 -0.151 0.321 47 I C -0.870 175.309 176.117 0.102 0.000 1.289 47 I CA -0.453 60.905 61.300 0.097 0.000 1.236 47 I CB 0.926 38.973 38.000 0.078 0.000 1.076 47 I HN 0.249 8.559 8.210 0.167 0.000 0.418 48 N N -2.282 116.503 118.700 0.143 0.000 3.106 48 N HA 0.171 4.971 4.740 0.100 0.000 0.253 48 N C -0.377 175.215 175.510 0.138 0.000 1.506 48 N CA -0.716 52.414 53.050 0.135 0.000 0.876 48 N CB 0.969 39.547 38.487 0.152 0.000 1.452 48 N HN -0.914 7.569 8.380 0.172 0.000 0.542 49 S N -3.356 112.411 115.700 0.111 0.000 2.500 49 S HA -0.349 4.165 4.470 0.072 0.000 0.239 49 S C 0.852 175.486 174.600 0.057 0.000 0.989 49 S CA 2.829 61.076 58.200 0.078 0.000 0.951 49 S CB -0.169 63.065 63.200 0.058 0.000 0.759 49 S HN 0.390 8.763 8.310 0.105 0.000 0.523 50 Q N -0.619 119.229 119.800 0.080 0.000 2.164 50 Q HA 0.320 4.598 4.340 -0.103 0.000 0.226 50 Q C -2.118 173.748 176.000 -0.222 0.000 0.813 50 Q CA -0.351 55.401 55.803 -0.085 0.000 0.978 50 Q CB 2.707 31.372 28.738 -0.120 0.000 1.149 50 Q HN 0.121 8.792 8.270 0.177 -0.294 0.489 51 W N -2.264 119.044 121.300 0.014 0.000 2.936 51 W HA 0.696 5.559 4.660 0.011 -0.197 0.338 51 W C -1.374 175.160 176.519 0.026 0.000 1.121 51 W CA -1.128 56.224 57.345 0.012 0.000 1.209 51 W CB 3.839 33.298 29.460 -0.003 0.000 1.420 51 W HN -0.370 8.101 8.180 0.275 -0.126 0.516 52 V N 0.797 120.878 119.914 0.278 0.000 2.823 52 V HA 0.791 5.193 4.120 0.176 -0.177 0.312 52 V C -1.535 174.675 176.094 0.193 0.000 1.072 52 V CA -1.704 60.707 62.300 0.184 0.000 0.937 52 V CB 3.922 35.810 31.823 0.110 0.000 1.013 52 V HN 0.570 8.943 8.190 0.305 0.000 0.430 53 V N 5.425 125.429 119.914 0.151 0.000 2.513 53 V HA 0.745 5.125 4.120 0.159 -0.164 0.299 53 V C -1.260 174.892 176.094 0.096 0.000 1.035 53 V CA -1.267 61.114 62.300 0.135 0.000 0.889 53 V CB 2.286 34.181 31.823 0.120 0.000 0.988 53 V HN 0.614 8.887 8.190 0.138 0.000 0.440 54 S N 3.961 119.703 115.700 0.071 0.000 2.880 54 S HA 0.568 5.261 4.470 0.026 -0.207 0.308 54 S C -2.095 172.494 174.600 -0.019 0.000 1.195 54 S CA -2.490 55.721 58.200 0.019 0.000 0.866 54 S CB 2.533 65.727 63.200 -0.009 0.000 1.254 54 S HN 0.669 9.032 8.310 0.087 0.000 0.571 55 A N -0.631 122.136 122.820 -0.088 0.000 2.306 55 A HA 0.475 4.888 4.320 -0.099 -0.152 0.314 55 A C 0.516 177.982 177.584 -0.197 0.000 1.164 55 A CA -1.713 50.237 52.037 -0.144 0.000 0.822 55 A CB 1.585 20.451 19.000 -0.223 0.000 1.130 55 A HN 0.310 8.392 8.150 -0.113 0.000 0.496 56 A N 4.929 127.578 122.820 -0.285 0.000 1.972 56 A HA -0.264 3.914 4.320 -0.236 0.000 0.219 56 A C 1.370 178.721 177.584 -0.388 0.000 1.169 56 A CA 2.906 54.659 52.037 -0.473 0.000 0.635 56 A CB -0.445 17.859 19.000 -1.160 0.000 0.810 56 A HN 0.657 8.662 8.150 -0.273 -0.018 0.446 57 H N -4.607 114.293 119.070 -0.284 0.000 2.567 57 H HA -0.098 4.490 4.556 0.053 0.000 0.276 57 H C 0.161 175.538 175.328 0.081 0.000 1.016 57 H CA 1.453 57.501 56.048 -0.001 0.000 1.186 57 H CB -1.285 28.545 29.762 0.112 0.000 1.351 57 H HN -0.039 8.431 8.280 -0.173 -0.294 0.605 58 c N -1.366 117.154 118.600 -0.133 0.000 2.791 58 c HA -0.019 4.620 4.570 0.115 0.000 0.270 58 c C -0.955 173.224 174.090 0.150 0.000 1.257 58 c CA 0.142 56.488 56.329 0.029 0.000 1.699 58 c CB -1.351 41.120 42.510 -0.065 0.000 1.904 58 c HN -0.628 7.289 8.230 -0.205 0.190 0.603 59 Y N 2.448 122.755 120.300 0.012 0.000 2.578 59 Y HA -0.181 4.392 4.550 0.039 0.000 0.339 59 Y C -1.494 174.398 175.900 -0.014 0.000 1.231 59 Y CA 1.495 59.604 58.100 0.015 0.000 1.461 59 Y CB 1.046 39.498 38.460 -0.013 0.000 1.323 59 Y HN -0.432 7.763 8.280 0.159 0.181 0.590 60 K N 5.129 124.730 120.400 -1.330 0.000 2.772 60 K HA 0.155 3.998 4.320 -0.795 0.000 0.292 60 K C -2.560 173.536 176.600 -0.841 0.000 1.049 60 K CA -0.973 54.761 56.287 -0.921 0.000 0.846 60 K CB 1.912 34.066 32.500 -0.578 0.000 1.514 60 K HN -0.025 7.251 8.250 -1.624 0.000 0.373 61 S N -0.329 115.096 115.700 -0.459 0.000 2.713 61 S HA 0.125 4.438 4.470 -0.262 0.000 0.283 61 S C 0.740 175.212 174.600 -0.214 0.000 1.161 61 S CA -0.336 57.709 58.200 -0.259 0.000 0.999 61 S CB 1.236 64.372 63.200 -0.108 0.000 1.039 61 S HN -0.170 7.933 8.310 -0.345 0.000 0.548 62 G N -0.067 108.648 108.800 -0.142 0.000 2.289 62 G HA2 -0.249 3.658 3.960 -0.089 0.000 0.280 62 G HA3 -0.249 3.636 3.960 -0.125 0.000 0.280 62 G C -1.690 173.135 174.900 -0.125 0.000 1.089 62 G CA 0.172 45.200 45.100 -0.120 0.000 0.939 62 G HN 0.304 8.527 8.290 -0.111 0.000 0.499 63 I N -1.340 119.171 120.570 -0.098 0.000 2.392 63 I HA 0.141 4.305 4.170 -0.010 0.000 0.295 63 I C -1.719 174.362 176.117 -0.060 0.000 0.985 63 I CA -0.994 60.280 61.300 -0.044 0.000 1.221 63 I CB 1.331 39.330 38.000 -0.002 0.000 1.366 63 I HN -0.504 7.648 8.210 -0.097 0.000 0.467 64 Q N 6.529 126.281 119.800 -0.079 0.000 3.184 64 Q HA 0.581 4.969 4.340 -0.076 -0.094 0.236 64 Q C -1.695 174.226 176.000 -0.132 0.000 1.038 64 Q CA -1.998 53.741 55.803 -0.107 0.000 0.857 64 Q CB 4.344 32.985 28.738 -0.161 0.000 1.957 64 Q HN 0.458 8.686 8.270 -0.070 0.000 0.453 65 R N -2.527 117.925 120.500 -0.081 0.000 2.937 65 R HA 0.436 5.048 4.340 0.161 -0.175 0.273 65 R C -1.402 174.943 176.300 0.075 0.000 1.176 65 R CA 0.056 56.155 56.100 -0.002 0.000 1.132 65 R CB 2.384 32.548 30.300 -0.227 0.000 1.270 65 R HN 0.535 8.739 8.270 -0.109 0.000 0.425 70 E N -0.736 119.564 120.200 0.167 0.000 2.319 70 E HA 0.084 4.515 4.350 0.136 0.000 0.268 70 E C -1.434 175.357 176.600 0.318 0.000 1.050 70 E CA 0.605 57.119 56.400 0.190 0.000 0.878 70 E CB 1.349 31.088 29.700 0.065 0.000 1.066 70 E HN -0.578 7.853 8.360 0.186 0.041 0.406 71 D N 1.292 121.860 120.400 0.279 0.000 2.900 71 D HA 0.050 4.938 4.640 0.412 0.000 0.175 71 D C -1.207 175.296 176.300 0.338 0.000 1.476 71 D CA 1.495 55.682 54.000 0.312 0.000 1.488 71 D CB 2.443 43.333 40.800 0.149 0.000 1.426 71 D HN 0.187 8.662 8.370 0.176 0.000 0.295 72 N N 0.973 119.773 118.700 0.168 0.000 2.437 72 N HA 0.300 5.278 4.740 0.166 -0.138 0.243 72 N C 1.966 177.473 175.510 -0.005 0.000 1.041 72 N CA -1.216 51.899 53.050 0.109 0.000 0.940 72 N CB 0.491 39.021 38.487 0.072 0.000 1.133 72 N HN -0.636 7.820 8.380 0.127 0.000 0.506 73 I N 0.461 120.934 120.570 -0.162 0.000 3.083 73 I HA -0.172 3.962 4.170 -0.305 -0.147 0.273 73 I C -0.272 175.756 176.117 -0.147 0.000 1.297 73 I CA 1.760 62.870 61.300 -0.317 0.000 1.452 73 I CB -0.667 36.916 38.000 -0.695 0.000 1.078 73 I HN 0.418 8.539 8.210 -0.149 0.000 0.484 74 N N -2.268 116.393 118.700 -0.064 0.000 2.205 74 N HA 0.138 4.859 4.740 -0.032 0.000 0.201 74 N C -0.851 174.664 175.510 0.009 0.000 1.128 74 N CA -0.028 53.008 53.050 -0.022 0.000 0.867 74 N CB 1.893 40.377 38.487 -0.005 0.000 0.996 74 N HN -0.168 8.460 8.380 -0.043 -0.274 0.503 75 V N 0.413 120.338 119.914 0.018 0.000 2.638 75 V HA 0.044 4.182 4.120 0.030 0.000 0.306 75 V C -1.426 174.693 176.094 0.041 0.000 1.052 75 V CA -1.069 61.250 62.300 0.031 0.000 0.885 75 V CB 3.020 34.859 31.823 0.027 0.000 0.999 75 V HN -0.811 7.419 8.190 0.009 -0.034 0.424 76 V N 7.307 127.244 119.914 0.039 0.000 2.488 76 V HA -0.193 4.131 4.120 0.039 -0.181 0.277 76 V C -0.002 176.094 176.094 0.003 0.000 1.046 76 V CA 0.763 63.074 62.300 0.019 0.000 0.986 76 V CB 0.260 32.072 31.823 -0.019 0.000 0.989 76 V HN 0.227 8.438 8.190 0.034 0.000 0.475 77 E N 7.280 127.482 120.200 0.002 0.000 2.572 77 E HA 0.172 4.523 4.350 0.002 0.000 0.220 77 E C -0.438 176.158 176.600 -0.008 0.000 0.945 77 E CA -0.534 55.868 56.400 0.004 0.000 1.070 77 E CB 1.235 30.947 29.700 0.020 0.000 1.090 77 E HN 0.500 9.391 8.360 0.004 -0.528 0.506 78 G N 0.241 109.027 108.800 -0.023 0.000 2.576 78 G HA2 -0.217 3.710 3.960 -0.055 0.000 0.686 78 G HA3 -0.217 3.729 3.960 -0.023 0.000 0.686 78 G C -1.751 173.135 174.900 -0.023 0.000 1.242 78 G CA -0.646 44.434 45.100 -0.033 0.000 0.819 78 G HN -0.404 8.294 8.290 -0.030 -0.426 0.655 79 N N -3.970 114.711 118.700 -0.032 0.000 2.980 79 N HA -0.284 4.445 4.740 -0.018 0.000 0.219 79 N C -1.021 174.478 175.510 -0.018 0.000 0.883 79 N CA 1.340 54.380 53.050 -0.016 0.000 1.018 79 N CB -0.261 38.230 38.487 0.008 0.000 1.041 79 N HN 0.155 8.508 8.380 -0.045 0.000 0.592 80 E N -1.030 119.141 120.200 -0.049 0.000 2.366 80 E HA 0.175 4.780 4.350 0.042 -0.230 0.266 80 E C -0.128 176.392 176.600 -0.133 0.000 1.051 80 E CA 0.523 56.893 56.400 -0.050 0.000 0.884 80 E CB 0.472 30.108 29.700 -0.107 0.000 1.006 80 E HN -0.220 8.003 8.360 -0.068 0.096 0.417 81 Q N 1.819 121.611 119.800 -0.013 0.000 2.304 81 Q HA 0.281 4.548 4.340 -0.122 0.000 0.270 81 Q C -1.479 174.651 176.000 0.217 0.000 1.035 81 Q CA -1.192 54.605 55.803 -0.010 0.000 0.781 81 Q CB 3.051 31.804 28.738 0.026 0.000 1.261 81 Q HN 0.324 8.660 8.270 0.109 0.000 0.444 82 F N 4.109 124.041 119.950 -0.029 0.000 2.426 82 F HA 0.495 5.187 4.527 -0.042 -0.190 0.348 82 F C -0.153 175.625 175.800 -0.036 0.000 1.124 82 F CA -3.385 54.592 58.000 -0.038 0.000 1.008 82 F CB 1.030 40.007 39.000 -0.040 0.000 1.139 82 F HN 0.421 8.732 8.300 0.018 0.000 0.452 83 I N 3.943 124.592 120.570 0.131 0.000 2.582 83 I HA 0.242 4.441 4.170 0.049 0.000 0.292 83 I C -1.770 174.350 176.117 0.005 0.000 1.066 83 I CA -1.388 59.940 61.300 0.047 0.000 1.053 83 I CB 3.389 41.400 38.000 0.019 0.000 1.241 83 I HN 0.607 8.880 8.210 0.106 0.000 0.421 84 S N 4.514 120.207 115.700 -0.012 0.000 2.617 84 S HA 0.135 4.687 4.470 -0.042 -0.107 0.269 84 S C -0.282 174.284 174.600 -0.056 0.000 1.292 84 S CA 0.637 58.815 58.200 -0.035 0.000 1.010 84 S CB 1.362 64.542 63.200 -0.033 0.000 0.944 84 S HN 0.291 8.598 8.310 -0.006 0.000 0.536 85 A N 2.582 125.365 122.820 -0.062 0.000 2.401 85 A HA 0.167 4.532 4.320 -0.100 -0.105 0.259 85 A C -0.502 177.033 177.584 -0.082 0.000 1.103 85 A CA -0.248 51.742 52.037 -0.078 0.000 0.789 85 A CB 0.599 19.564 19.000 -0.058 0.000 1.035 85 A HN -0.204 7.912 8.150 -0.057 0.000 0.491 86 S N 3.821 119.451 115.700 -0.117 0.000 2.371 86 S HA 0.034 4.460 4.470 -0.073 0.000 0.219 86 S C 0.436 174.994 174.600 -0.071 0.000 1.040 86 S CA 1.275 59.414 58.200 -0.102 0.000 0.958 86 S CB 0.831 63.943 63.200 -0.147 0.000 0.860 86 S HN 0.822 8.914 8.310 -0.167 0.117 0.487 87 K N 0.157 120.506 120.400 -0.084 0.000 2.509 87 K HA 0.292 4.631 4.320 0.032 0.000 0.266 87 K C -2.184 174.442 176.600 0.043 0.000 0.987 87 K CA -1.210 55.077 56.287 0.001 0.000 0.868 87 K CB 3.523 36.038 32.500 0.025 0.000 1.421 87 K HN -0.796 7.358 8.250 -0.159 0.000 0.444 88 S N 0.524 116.307 115.700 0.138 0.000 2.561 88 S HA 0.755 5.536 4.470 0.180 -0.202 0.303 88 S C -0.963 173.768 174.600 0.219 0.000 1.110 88 S CA -0.520 57.805 58.200 0.208 0.000 1.034 88 S CB 2.600 65.992 63.200 0.320 0.000 1.010 88 S HN 0.109 8.514 8.310 0.159 0.000 0.482 89 I N 7.633 128.341 120.570 0.231 0.000 2.359 89 I HA 0.106 4.369 4.170 0.154 0.000 0.284 89 I C -1.576 174.681 176.117 0.233 0.000 1.018 89 I CA -0.795 60.633 61.300 0.213 0.000 1.173 89 I CB 1.516 39.655 38.000 0.231 0.000 1.326 89 I HN 1.041 9.298 8.210 0.262 0.111 0.462 90 V N 7.754 127.741 119.914 0.121 0.000 2.607 90 V HA -0.109 4.061 4.120 0.082 0.000 0.289 90 V C -0.317 175.854 176.094 0.129 0.000 1.053 90 V CA -0.819 61.520 62.300 0.066 0.000 0.996 90 V CB 1.007 32.775 31.823 -0.092 0.000 0.995 90 V HN 0.351 8.569 8.190 0.047 0.000 0.476 91 H N 8.479 127.528 119.070 -0.034 0.000 3.094 91 H HA -0.083 4.277 4.556 -0.326 0.000 0.320 91 H C -0.301 174.995 175.328 -0.053 0.000 1.000 91 H CA 0.466 56.369 56.048 -0.241 0.000 1.413 91 H CB 1.499 30.964 29.762 -0.495 0.000 1.405 91 H HN -0.175 8.146 8.280 0.068 0.000 0.586 92 P HA -0.114 4.311 4.420 0.008 0.000 0.218 92 P C -0.411 176.932 177.300 0.073 0.000 1.148 92 P CA 1.531 64.597 63.100 -0.057 0.000 0.822 92 P CB 0.336 31.981 31.700 -0.092 0.000 0.784 93 S N -3.771 112.083 115.700 0.257 0.000 2.614 93 S HA 0.029 4.561 4.470 0.103 0.000 0.230 93 S C -0.572 174.134 174.600 0.176 0.000 0.952 93 S CA 0.011 58.339 58.200 0.213 0.000 0.949 93 S CB 0.389 63.708 63.200 0.199 0.000 0.786 93 S HN -0.370 8.188 8.310 0.459 0.027 0.478 94 Y N 3.647 123.998 120.300 0.084 0.000 2.620 94 Y HA -0.310 4.407 4.550 -0.045 -0.194 0.330 94 Y C -0.962 174.931 175.900 -0.012 0.000 1.186 94 Y CA 0.734 58.834 58.100 0.001 0.000 1.467 94 Y CB 0.779 39.244 38.460 0.007 0.000 1.262 94 Y HN -0.749 7.558 8.280 0.340 0.176 0.550 95 N N 7.471 125.803 118.700 -0.614 0.000 2.479 95 N HA 0.209 4.663 4.740 -0.478 0.000 0.261 95 N C -0.264 174.709 175.510 -0.894 0.000 0.979 95 N CA -1.293 51.408 53.050 -0.580 0.000 0.930 95 N CB 1.934 40.251 38.487 -0.284 0.000 1.172 95 N HN -0.167 7.972 8.380 -0.400 0.000 0.499 96 S N 6.723 121.903 115.700 -0.868 0.000 2.515 96 S HA -0.043 4.039 4.470 -0.647 0.000 0.231 96 S C 0.664 175.081 174.600 -0.303 0.000 0.987 96 S CA 2.292 60.154 58.200 -0.563 0.000 0.936 96 S CB -0.227 62.825 63.200 -0.247 0.000 0.766 96 S HN 0.623 8.531 8.310 -0.670 0.000 0.528 97 N N 2.119 120.647 118.700 -0.286 0.000 2.336 97 N HA 0.036 4.655 4.740 -0.202 0.000 0.177 97 N C 1.010 176.361 175.510 -0.265 0.000 1.018 97 N CA 2.306 55.221 53.050 -0.224 0.000 0.878 97 N CB 0.611 38.994 38.487 -0.174 0.000 0.997 97 N HN 0.342 8.786 8.380 -0.316 -0.254 0.433 98 T N -3.778 110.615 114.554 -0.268 0.000 3.014 98 T HA 0.077 4.230 4.350 -0.329 0.000 0.250 98 T C 0.122 174.636 174.700 -0.309 0.000 1.060 98 T CA -0.076 61.857 62.100 -0.278 0.000 1.040 98 T CB 1.632 70.394 68.868 -0.177 0.000 0.971 98 T HN -0.485 7.841 8.240 -0.268 -0.247 0.497 99 L N -3.573 117.505 121.223 -0.243 0.000 4.140 99 L HA -0.501 3.959 4.340 0.065 -0.081 0.406 99 L C -1.873 175.034 176.870 0.061 0.000 1.175 99 L CA 0.338 55.143 54.840 -0.057 0.000 0.939 99 L CB -2.670 39.300 42.059 -0.150 0.000 2.105 99 L HN -0.185 7.875 8.230 -0.283 0.000 0.803 100 N N -0.940 117.754 118.700 -0.011 0.000 2.518 100 N HA -0.158 4.635 4.740 0.088 0.000 0.266 100 N C 0.076 175.632 175.510 0.077 0.000 1.196 100 N CA 0.641 53.716 53.050 0.042 0.000 0.947 100 N CB 1.208 39.692 38.487 -0.005 0.000 1.098 100 N HN -0.716 7.561 8.380 -0.105 0.040 0.450 101 N N -0.781 117.955 118.700 0.059 0.000 2.756 101 N HA -0.471 4.165 4.740 -0.173 0.000 0.248 101 N C -1.410 174.065 175.510 -0.059 0.000 1.062 101 N CA 1.373 54.348 53.050 -0.125 0.000 0.696 101 N CB -1.553 36.756 38.487 -0.297 0.000 0.946 101 N HN 0.603 9.045 8.380 0.104 0.000 0.548 102 D N -0.986 119.427 120.400 0.022 0.000 2.608 102 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 102 D C -1.681 174.525 176.300 -0.158 0.000 1.123 102 D CA -0.330 53.682 54.000 0.020 0.000 1.030 102 D CB -0.818 40.090 40.800 0.180 0.000 1.093 102 D HN -0.118 8.281 8.370 0.049 0.000 0.497 103 I N 1.775 122.186 120.570 -0.265 0.000 2.802 103 I HA 0.559 4.798 4.170 -0.136 -0.151 0.298 103 I C -3.028 173.043 176.117 -0.077 0.000 1.176 103 I CA -1.529 59.643 61.300 -0.213 0.000 1.025 103 I CB 4.208 41.943 38.000 -0.443 0.000 1.243 103 I HN -0.028 7.970 8.210 -0.278 0.045 0.424 104 M N 6.342 125.970 119.600 0.045 0.000 2.421 104 M HA 0.694 5.472 4.480 0.230 -0.160 0.287 104 M C -2.801 173.626 176.300 0.213 0.000 1.183 104 M CA -0.902 54.487 55.300 0.149 0.000 0.916 104 M CB 4.784 37.427 32.600 0.072 0.000 1.701 104 M HN 0.394 8.707 8.290 0.038 0.000 0.470 105 L N 3.084 124.474 121.223 0.278 0.000 2.334 105 L HA 0.832 5.500 4.340 0.272 -0.166 0.276 105 L C -1.243 175.826 176.870 0.332 0.000 1.014 105 L CA -1.477 53.547 54.840 0.307 0.000 0.815 105 L CB 3.120 45.339 42.059 0.267 0.000 1.268 105 L HN 0.523 8.940 8.230 0.312 0.000 0.428 106 I N 0.904 121.652 120.570 0.297 0.000 2.436 106 I HA 0.575 4.989 4.170 0.101 -0.184 0.289 106 I C -1.597 174.461 176.117 -0.098 0.000 1.010 106 I CA -1.389 59.976 61.300 0.107 0.000 1.098 106 I CB 3.101 41.134 38.000 0.055 0.000 1.266 106 I HN 0.646 9.057 8.210 0.335 0.000 0.434 107 K N 6.551 126.688 120.400 -0.439 0.000 2.156 107 K HA 0.593 4.140 4.320 -1.522 -0.140 0.271 107 K C -1.143 175.152 176.600 -0.508 0.000 0.995 107 K CA -1.671 53.978 56.287 -1.063 0.000 0.890 107 K CB 2.913 34.639 32.500 -1.290 0.000 1.073 107 K HN 0.614 8.704 8.250 -0.267 0.000 0.454 108 L N 4.088 125.045 121.223 -0.444 0.000 2.399 108 L HA 0.220 4.548 4.340 -0.176 -0.094 0.266 108 L C 1.597 178.348 176.870 -0.198 0.000 1.114 108 L CA -0.259 54.444 54.840 -0.229 0.000 0.804 108 L CB 0.586 42.554 42.059 -0.151 0.000 1.146 108 L HN 0.765 8.645 8.230 -0.583 0.000 0.451 109 K N 2.865 123.190 120.400 -0.125 0.000 2.097 109 K HA -0.326 3.930 4.320 -0.107 0.000 0.206 109 K C -0.554 175.997 176.600 -0.082 0.000 1.049 109 K CA 2.592 58.823 56.287 -0.094 0.000 0.933 109 K CB 0.385 32.848 32.500 -0.061 0.000 0.717 109 K HN 0.722 8.911 8.250 -0.103 0.000 0.442 110 S N -4.152 111.506 115.700 -0.070 0.000 2.588 110 S HA 0.109 4.546 4.470 -0.055 0.000 0.275 110 S C -1.639 172.932 174.600 -0.049 0.000 1.130 110 S CA -1.043 57.126 58.200 -0.051 0.000 0.855 110 S CB 2.489 65.671 63.200 -0.030 0.000 1.116 110 S HN -0.423 7.847 8.310 -0.067 0.000 0.472 111 A N -0.287 122.513 122.820 -0.034 0.000 2.445 111 A HA 0.030 4.504 4.320 -0.028 -0.171 0.242 111 A C -0.147 177.435 177.584 -0.004 0.000 1.075 111 A CA 0.217 52.243 52.037 -0.017 0.000 0.777 111 A CB 0.440 19.440 19.000 0.000 0.000 1.013 111 A HN 0.232 8.365 8.150 -0.028 0.000 0.493 112 A N 1.433 124.258 122.820 0.008 0.000 2.287 112 A HA 0.155 4.554 4.320 0.014 -0.071 0.273 112 A C -0.527 177.070 177.584 0.020 0.000 1.091 112 A CA -1.144 50.904 52.037 0.018 0.000 0.817 112 A CB 1.392 20.412 19.000 0.033 0.000 1.069 112 A HN 0.390 8.436 8.150 0.012 0.111 0.492 113 S N -0.458 115.253 115.700 0.018 0.000 2.422 113 S HA 0.122 4.603 4.470 0.017 0.000 0.298 113 S C -0.566 174.049 174.600 0.025 0.000 1.118 113 S CA -0.699 57.511 58.200 0.017 0.000 1.083 113 S CB 0.604 63.809 63.200 0.008 0.000 0.971 113 S HN 0.021 8.704 8.310 0.017 -0.363 0.478 114 L N 4.904 126.145 121.223 0.030 0.000 2.399 114 L HA 0.154 4.656 4.340 0.043 -0.137 0.266 114 L C -0.270 176.619 176.870 0.031 0.000 1.114 114 L CA -0.430 54.433 54.840 0.038 0.000 0.804 114 L CB 0.894 42.979 42.059 0.045 0.000 1.146 114 L HN 0.147 8.394 8.230 0.029 0.000 0.451 115 N N 0.862 119.582 118.700 0.034 0.000 3.546 115 N HA 0.073 4.828 4.740 0.026 0.000 0.362 115 N C -1.592 173.938 175.510 0.032 0.000 1.477 115 N CA -0.143 52.924 53.050 0.028 0.000 0.841 115 N CB 0.843 39.342 38.487 0.020 0.000 2.283 115 N HN 0.454 8.859 8.380 0.041 0.000 0.497 116 S N -3.030 112.686 115.700 0.027 0.000 2.528 116 S HA 0.019 4.511 4.470 0.037 0.000 0.219 116 S C 0.362 174.978 174.600 0.027 0.000 0.985 116 S CA 1.897 60.114 58.200 0.030 0.000 0.914 116 S CB 0.415 63.630 63.200 0.024 0.000 0.776 116 S HN -0.034 8.289 8.310 0.022 0.000 0.526 117 R N -1.140 119.374 120.500 0.024 0.000 2.237 117 R HA 0.192 4.540 4.340 0.013 0.000 0.195 117 R C -1.246 175.069 176.300 0.025 0.000 0.956 117 R CA 0.040 56.152 56.100 0.019 0.000 1.029 117 R CB 1.270 31.581 30.300 0.018 0.000 0.972 117 R HN 0.124 8.756 8.270 0.024 -0.348 0.493 118 V N -1.599 118.337 119.914 0.036 0.000 2.482 118 V HA 0.316 4.675 4.120 0.049 -0.209 0.295 118 V C -2.216 173.917 176.094 0.064 0.000 1.026 118 V CA -1.103 61.227 62.300 0.050 0.000 0.856 118 V CB 2.791 34.642 31.823 0.047 0.000 1.001 118 V HN -0.591 7.821 8.190 0.035 -0.201 0.424 119 A N 6.383 129.258 122.820 0.091 0.000 2.587 119 A HA 0.585 4.957 4.320 0.086 0.000 0.293 119 A C -3.014 174.661 177.584 0.152 0.000 1.087 119 A CA -1.292 50.810 52.037 0.108 0.000 0.692 119 A CB 2.871 21.936 19.000 0.109 0.000 1.291 119 A HN -0.041 8.058 8.150 0.101 0.111 0.407 120 S N -1.552 114.224 115.700 0.125 0.000 2.669 120 S HA 0.649 5.383 4.470 0.159 -0.168 0.270 120 S C -0.505 174.151 174.600 0.094 0.000 1.225 120 S CA -1.101 57.173 58.200 0.123 0.000 0.991 120 S CB 1.568 64.820 63.200 0.087 0.000 0.987 120 S HN 0.019 8.387 8.310 0.097 0.000 0.552 121 I N 0.492 121.070 120.570 0.015 0.000 2.693 121 I HA 0.230 4.334 4.170 -0.110 0.000 0.303 121 I C -1.228 174.841 176.117 -0.080 0.000 1.025 121 I CA -1.569 59.646 61.300 -0.142 0.000 1.086 121 I CB 4.098 41.790 38.000 -0.513 0.000 1.268 121 I HN -0.120 8.110 8.210 0.033 0.000 0.440 122 S N 6.003 121.655 115.700 -0.080 0.000 2.601 122 S HA 0.252 4.707 4.470 -0.024 0.000 0.271 122 S C -0.636 173.938 174.600 -0.044 0.000 1.305 122 S CA -0.381 57.792 58.200 -0.044 0.000 1.022 122 S CB 0.819 63.998 63.200 -0.035 0.000 0.940 122 S HN 0.249 8.499 8.310 -0.100 0.000 0.525 123 L N 2.062 123.273 121.223 -0.020 0.000 2.421 123 L HA 0.165 4.505 4.340 0.000 0.000 0.263 123 L C -1.202 175.664 176.870 -0.005 0.000 1.122 123 L CA -1.994 52.845 54.840 -0.002 0.000 0.804 123 L CB 0.175 42.242 42.059 0.014 0.000 1.150 123 L HN 0.184 8.405 8.230 -0.014 0.000 0.457 124 P HA 0.129 4.537 4.420 -0.020 0.000 0.276 124 P C -1.303 175.995 177.300 -0.004 0.000 1.252 124 P CA -0.738 62.357 63.100 -0.008 0.000 0.802 124 P CB 0.829 32.523 31.700 -0.010 0.000 1.035 128 c N 0.327 118.897 118.600 -0.050 0.000 2.480 128 c HA 0.078 4.604 4.570 -0.073 0.000 0.358 128 c C -0.096 173.930 174.090 -0.106 0.000 1.309 128 c CA -0.601 55.682 56.329 -0.077 0.000 2.465 128 c CB 0.440 42.910 42.510 -0.067 0.000 2.379 128 c HN -0.029 8.175 8.230 -0.044 0.000 0.642 129 A N 0.138 122.857 122.820 -0.169 0.000 2.281 129 A HA 0.135 4.379 4.320 -0.127 0.000 0.329 129 A C -1.187 176.292 177.584 -0.175 0.000 1.122 129 A CA -0.568 51.364 52.037 -0.176 0.000 0.850 129 A CB 1.675 20.532 19.000 -0.238 0.000 1.207 129 A HN 0.232 8.248 8.150 -0.222 0.000 0.495 133 G N 0.127 108.886 108.800 -0.069 0.000 2.253 133 G HA2 -0.334 3.591 3.960 -0.059 0.000 0.251 133 G HA3 -0.334 3.597 3.960 -0.049 0.000 0.251 133 G C -0.116 174.744 174.900 -0.066 0.000 0.998 133 G CA 0.227 45.291 45.100 -0.060 0.000 0.621 133 G HN 0.747 8.889 8.290 -0.073 0.105 0.524 134 T N 3.762 118.266 114.554 -0.084 0.000 2.902 134 T HA -0.194 4.118 4.350 -0.064 0.000 0.301 134 T C -0.914 173.740 174.700 -0.076 0.000 1.012 134 T CA 2.535 64.586 62.100 -0.083 0.000 1.151 134 T CB 0.688 69.488 68.868 -0.113 0.000 0.946 134 T HN -0.596 7.492 8.240 -0.097 0.094 0.542 135 Q N 6.026 125.796 119.800 -0.050 0.000 2.256 135 Q HA 0.164 4.594 4.340 -0.042 -0.115 0.254 135 Q C -0.876 175.108 176.000 -0.028 0.000 0.916 135 Q CA 0.386 56.171 55.803 -0.031 0.000 0.932 135 Q CB 1.445 30.181 28.738 -0.003 0.000 1.207 135 Q HN 0.178 8.423 8.270 -0.042 0.000 0.426 136 c N 3.313 121.898 118.600 -0.024 0.000 2.848 136 c HA 0.515 5.177 4.570 -0.016 -0.102 0.317 136 c C -1.825 172.274 174.090 0.014 0.000 1.260 136 c CA -1.483 54.834 56.329 -0.019 0.000 1.656 136 c CB 4.134 46.611 42.510 -0.054 0.000 2.174 136 c HN 0.907 9.007 8.230 -0.025 0.115 0.479 137 L N 1.117 122.356 121.223 0.027 0.000 2.305 137 L HA 0.892 5.457 4.340 0.059 -0.189 0.284 137 L C -2.103 174.786 176.870 0.031 0.000 1.013 137 L CA -1.340 53.531 54.840 0.050 0.000 0.819 137 L CB 2.953 45.062 42.059 0.083 0.000 1.227 137 L HN 0.634 8.768 8.230 0.020 0.108 0.417 138 I N 7.531 128.106 120.570 0.008 0.000 2.441 138 I HA 0.872 5.284 4.170 0.023 -0.228 0.295 138 I C -1.286 174.804 176.117 -0.045 0.000 0.994 138 I CA -1.565 59.737 61.300 0.004 0.000 1.144 138 I CB 2.535 40.544 38.000 0.015 0.000 1.314 138 I HN 0.995 9.212 8.210 0.011 0.000 0.445 139 S N 2.122 117.787 115.700 -0.058 0.000 2.618 139 S HA 1.005 5.497 4.470 -0.223 -0.156 0.277 139 S C -1.200 173.282 174.600 -0.197 0.000 1.138 139 S CA -1.708 56.381 58.200 -0.184 0.000 0.844 139 S CB 3.749 66.801 63.200 -0.246 0.000 1.127 139 S HN -0.198 8.110 8.310 -0.004 0.000 0.474 140 G N -1.410 107.179 108.800 -0.352 0.000 2.316 140 G HA2 0.152 3.884 3.960 -0.379 0.000 0.296 140 G HA3 0.152 4.218 3.960 -0.067 -0.146 0.296 140 G C -2.442 172.232 174.900 -0.377 0.000 1.399 140 G CA 0.588 45.508 45.100 -0.301 0.000 0.833 140 G HN 0.295 8.317 8.290 -0.447 0.000 0.565 141 W N 0.919 122.173 121.300 -0.078 0.000 2.862 141 W HA 0.383 4.994 4.660 -0.081 0.000 0.426 141 W C -0.291 176.272 176.519 0.074 0.000 0.950 141 W CA -0.987 56.283 57.345 -0.126 0.000 2.150 141 W CB 0.334 29.511 29.460 -0.471 0.000 1.161 141 W HN 0.590 8.915 8.180 0.243 0.000 0.696 142 G N 0.737 109.710 108.800 0.288 0.000 2.588 142 G HA2 -0.030 4.304 3.960 0.605 0.000 0.281 142 G HA3 -0.030 4.266 3.960 0.277 -0.170 0.281 142 G C -0.971 173.997 174.900 0.114 0.000 1.236 142 G CA -0.845 44.464 45.100 0.349 0.000 0.969 142 G HN -0.368 8.193 8.290 0.170 -0.169 0.504 143 N N -0.460 118.164 118.700 -0.128 0.000 2.293 143 N HA -0.320 4.012 4.740 -0.994 -0.188 0.253 143 N C 0.851 176.235 175.510 -0.210 0.000 1.248 143 N CA 1.094 53.828 53.050 -0.526 0.000 0.845 143 N CB 0.584 38.787 38.487 -0.475 0.000 1.073 143 N HN 0.240 8.683 8.380 0.105 0.000 0.464 144 T N 0.496 114.931 114.554 -0.198 0.000 3.092 144 T HA 0.208 4.631 4.350 -0.068 -0.114 0.258 144 T C 0.158 174.812 174.700 -0.077 0.000 1.031 144 T CA 0.215 62.258 62.100 -0.094 0.000 0.925 144 T CB 1.215 70.045 68.868 -0.064 0.000 1.036 144 T HN 0.371 8.447 8.240 -0.273 0.000 0.544 145 K N 2.089 122.430 120.400 -0.098 0.000 2.259 145 K HA 0.296 4.592 4.320 -0.040 0.000 0.249 145 K C -0.635 175.939 176.600 -0.043 0.000 0.942 145 K CA -0.972 55.279 56.287 -0.059 0.000 0.816 145 K CB 2.713 35.178 32.500 -0.059 0.000 1.155 145 K HN -0.489 7.925 8.250 -0.155 -0.256 0.428 146 S N 0.104 115.793 115.700 -0.018 0.000 2.503 146 S HA -0.050 4.422 4.470 0.003 0.000 0.215 146 S C 0.137 174.740 174.600 0.006 0.000 1.003 146 S CA 0.759 58.959 58.200 0.001 0.000 0.910 146 S CB 1.065 64.272 63.200 0.011 0.000 0.790 146 S HN 0.161 8.463 8.310 -0.014 0.000 0.514 147 S N 1.914 117.614 115.700 -0.000 0.000 2.269 147 S HA 0.179 4.657 4.470 0.013 0.000 0.194 147 S C -1.041 173.560 174.600 0.002 0.000 1.547 147 S CA -0.158 58.046 58.200 0.006 0.000 1.186 147 S CB -0.214 62.990 63.200 0.008 0.000 1.069 147 S HN -0.464 7.803 8.310 -0.007 0.039 0.473 148 G N 1.010 109.812 108.800 0.002 0.000 2.406 148 G HA2 -0.191 3.781 3.960 0.020 0.000 0.680 148 G HA3 -0.191 3.770 3.960 0.002 0.000 0.680 148 G C -2.604 172.283 174.900 -0.021 0.000 1.338 148 G CA -0.782 44.320 45.100 0.004 0.000 0.941 148 G HN -0.350 7.944 8.290 0.007 0.000 0.633 149 T N -3.220 111.333 114.554 -0.003 0.000 2.756 149 T HA 0.011 4.385 4.350 -0.213 -0.151 0.290 149 T C -1.445 173.201 174.700 -0.090 0.000 0.985 149 T CA -0.957 61.107 62.100 -0.061 0.000 0.955 149 T CB 1.266 70.245 68.868 0.186 0.000 0.930 149 T HN -0.080 8.180 8.240 0.033 0.000 0.451 150 S N 6.118 121.655 115.700 -0.271 0.000 2.779 150 S HA 0.314 4.797 4.470 0.023 0.000 0.293 150 S C -2.090 172.367 174.600 -0.238 0.000 1.150 150 S CA -1.071 57.063 58.200 -0.110 0.000 1.057 150 S CB 1.622 64.779 63.200 -0.071 0.000 1.021 150 S HN 0.802 9.254 8.310 -0.464 -0.420 0.485 151 Y N 7.293 127.634 120.300 0.069 0.000 2.342 151 Y HA 0.324 4.933 4.550 0.098 0.000 0.334 151 Y C -1.370 174.580 175.900 0.084 0.000 1.067 151 Y CA -2.599 55.556 58.100 0.091 0.000 1.128 151 Y CB 0.959 39.486 38.460 0.111 0.000 1.200 151 Y HN 0.261 8.721 8.280 0.299 0.000 0.464 152 P HA 0.382 4.879 4.420 0.128 0.000 0.281 152 P C -1.635 175.790 177.300 0.209 0.000 1.281 152 P CA -0.872 62.329 63.100 0.169 0.000 0.811 152 P CB 2.159 33.931 31.700 0.122 0.000 1.154 153 D N -2.680 117.821 120.400 0.169 0.000 2.323 153 D HA -0.054 4.645 4.640 0.099 0.000 0.218 153 D C -1.388 175.059 176.300 0.245 0.000 0.973 153 D CA 1.241 55.327 54.000 0.143 0.000 0.890 153 D CB 1.065 41.920 40.800 0.091 0.000 1.011 153 D HN 0.386 8.838 8.370 0.137 0.000 0.499 154 V N -7.139 112.922 119.914 0.244 0.000 2.850 154 V HA 0.791 5.465 4.120 0.418 -0.304 0.315 154 V C -0.481 175.684 176.094 0.117 0.000 1.064 154 V CA -2.660 59.799 62.300 0.265 0.000 0.979 154 V CB 2.186 34.080 31.823 0.119 0.000 1.039 154 V HN -0.951 7.340 8.190 0.169 0.000 0.452 155 L N 2.662 123.823 121.223 -0.105 0.000 2.499 155 L HA -0.085 3.406 4.340 -1.415 0.000 0.273 155 L C -0.508 176.099 176.870 -0.438 0.000 1.195 155 L CA 0.972 55.375 54.840 -0.728 0.000 0.882 155 L CB 0.398 42.007 42.059 -0.751 0.000 1.133 155 L HN -0.112 8.341 8.230 0.119 -0.152 0.483 156 K N 5.729 125.852 120.400 -0.462 0.000 2.156 156 K HA 0.668 4.944 4.320 -0.333 -0.156 0.250 156 K C -1.196 175.145 176.600 -0.432 0.000 0.955 156 K CA -2.504 53.569 56.287 -0.357 0.000 0.855 156 K CB 2.583 34.939 32.500 -0.240 0.000 1.101 156 K HN 0.041 7.946 8.250 -0.577 0.000 0.434 157 c N -0.762 117.480 118.600 -0.598 0.000 2.707 157 c HA 0.972 5.476 4.570 -0.407 -0.177 0.313 157 c C -1.767 171.941 174.090 -0.637 0.000 1.209 157 c CA -0.762 55.161 56.329 -0.676 0.000 1.635 157 c CB 3.573 45.519 42.510 -0.940 0.000 2.206 157 c HN 0.777 8.479 8.230 -0.703 0.106 0.485 158 L N 0.283 121.353 121.223 -0.255 0.000 2.513 158 L HA 0.379 4.773 4.340 0.090 0.000 0.261 158 L C -2.521 174.419 176.870 0.117 0.000 0.945 158 L CA 0.169 55.012 54.840 0.005 0.000 0.848 158 L CB 4.499 46.580 42.059 0.036 0.000 1.334 158 L HN 0.775 8.892 8.230 -0.187 0.000 0.407 159 K N 5.835 126.368 120.400 0.222 0.000 2.213 159 K HA 0.860 5.481 4.320 0.135 -0.220 0.270 159 K C -0.942 175.797 176.600 0.230 0.000 1.002 159 K CA -1.444 54.957 56.287 0.191 0.000 0.868 159 K CB 1.022 33.639 32.500 0.195 0.000 1.093 159 K HN 0.339 8.754 8.250 0.276 0.000 0.454 160 A N 4.402 127.296 122.820 0.124 0.000 2.515 160 A HA 0.664 5.010 4.320 0.044 0.000 0.298 160 A C -3.346 174.179 177.584 -0.099 0.000 1.059 160 A CA -2.786 49.262 52.037 0.019 0.000 0.698 160 A CB 3.144 22.160 19.000 0.027 0.000 1.289 160 A HN 0.920 9.109 8.150 0.064 0.000 0.404 161 P HA 0.658 5.230 4.420 -0.102 -0.212 0.284 161 P C -0.979 176.247 177.300 -0.124 0.000 1.258 161 P CA -1.304 61.706 63.100 -0.149 0.000 0.824 161 P CB 1.396 33.002 31.700 -0.155 0.000 1.038 162 I N 0.482 120.995 120.570 -0.094 0.000 2.529 162 I HA -0.054 4.265 4.170 0.059 -0.113 0.284 162 I C 0.057 176.154 176.117 -0.034 0.000 1.082 162 I CA 0.645 61.916 61.300 -0.049 0.000 1.406 162 I CB 0.490 38.379 38.000 -0.186 0.000 1.405 162 I HN 0.074 8.219 8.210 -0.107 0.000 0.548 163 L N 5.942 127.180 121.223 0.026 0.000 2.400 163 L HA 0.312 4.637 4.340 -0.026 0.000 0.264 163 L C -0.199 176.681 176.870 0.017 0.000 1.061 163 L CA -1.215 53.630 54.840 0.007 0.000 0.799 163 L CB 0.935 43.006 42.059 0.021 0.000 1.240 163 L HN 0.407 8.593 8.230 0.107 0.108 0.461 164 S N -1.656 114.048 115.700 0.006 0.000 2.600 164 S HA -0.093 4.378 4.470 0.001 0.000 0.265 164 S C 0.392 175.011 174.600 0.031 0.000 1.325 164 S CA -0.880 57.325 58.200 0.009 0.000 1.002 164 S CB 1.745 64.946 63.200 0.001 0.000 0.921 164 S HN -0.045 8.264 8.310 -0.002 0.000 0.554 165 D N 1.112 121.532 120.400 0.033 0.000 2.178 165 D HA -0.216 4.466 4.640 0.070 0.000 0.202 165 D C 1.691 178.017 176.300 0.043 0.000 0.974 165 D CA 3.188 57.218 54.000 0.049 0.000 0.841 165 D CB -0.239 40.586 40.800 0.043 0.000 0.953 165 D HN 0.538 8.921 8.370 0.021 0.000 0.478 166 S N -1.164 114.553 115.700 0.028 0.000 2.383 166 S HA -0.291 4.195 4.470 0.028 0.000 0.227 166 S C 2.172 176.784 174.600 0.020 0.000 1.026 166 S CA 3.516 61.730 58.200 0.023 0.000 0.981 166 S CB -0.242 62.966 63.200 0.013 0.000 0.818 166 S HN 0.007 8.330 8.310 0.021 0.000 0.472 167 S N 3.593 119.302 115.700 0.016 0.000 2.383 167 S HA -0.230 4.238 4.470 -0.004 0.000 0.227 167 S C 1.811 176.418 174.600 0.012 0.000 1.026 167 S CA 3.864 62.067 58.200 0.005 0.000 0.981 167 S CB -0.154 63.047 63.200 0.001 0.000 0.818 167 S HN -0.527 7.793 8.310 0.016 0.000 0.472 168 c N 3.489 122.116 118.600 0.045 0.000 2.436 168 c HA -0.308 4.314 4.570 0.086 0.000 0.277 168 c C 1.715 175.867 174.090 0.103 0.000 1.241 168 c CA 2.834 59.215 56.329 0.087 0.000 1.721 168 c CB -1.681 40.896 42.510 0.111 0.000 2.043 168 c HN -0.239 8.020 8.230 0.048 0.000 0.472 169 K N -1.325 119.128 120.400 0.088 0.000 2.148 169 K HA -0.318 4.085 4.320 0.138 0.000 0.204 169 K C 2.306 178.938 176.600 0.055 0.000 1.050 169 K CA 3.107 59.449 56.287 0.092 0.000 0.942 169 K CB -0.112 32.432 32.500 0.073 0.000 0.724 169 K HN 0.036 8.330 8.250 0.074 0.000 0.446 170 S N -0.911 114.800 115.700 0.018 0.000 2.428 170 S HA -0.226 4.246 4.470 0.004 0.000 0.230 170 S C 0.716 175.281 174.600 -0.058 0.000 1.014 170 S CA 2.925 61.119 58.200 -0.009 0.000 0.957 170 S CB -0.036 63.154 63.200 -0.016 0.000 0.784 170 S HN -0.197 8.017 8.310 0.019 0.107 0.499 171 A N -0.470 122.282 122.820 -0.113 0.000 1.930 171 A HA -0.052 4.101 4.320 -0.279 0.000 0.215 171 A C -0.537 176.758 177.584 -0.482 0.000 1.176 171 A CA 1.829 53.664 52.037 -0.337 0.000 0.632 171 A CB 0.794 19.518 19.000 -0.459 0.000 0.819 171 A HN -0.563 7.426 8.150 -0.064 0.122 0.445 172 Y N -5.377 114.959 120.300 0.060 0.000 2.562 172 Y HA 0.472 5.097 4.550 0.125 0.000 0.363 172 Y C -2.315 173.646 175.900 0.103 0.000 0.991 172 Y CA -3.615 54.556 58.100 0.119 0.000 1.121 172 Y CB -0.162 38.417 38.460 0.197 0.000 1.159 172 Y HN -0.455 7.853 8.280 0.047 0.000 0.651 173 P HA -0.111 4.481 4.420 0.104 -0.109 0.262 173 P C 0.936 178.309 177.300 0.121 0.000 1.182 173 P CA 1.191 64.357 63.100 0.111 0.000 0.761 173 P CB 0.071 31.809 31.700 0.063 0.000 0.795 174 G N 3.950 112.811 108.800 0.102 0.000 2.189 174 G HA2 -0.364 3.634 3.960 0.064 0.000 0.267 174 G HA3 -0.364 3.632 3.960 0.061 0.000 0.267 174 G C 0.155 175.110 174.900 0.092 0.000 0.975 174 G CA 0.647 45.794 45.100 0.079 0.000 0.644 174 G HN 0.566 8.913 8.290 0.095 0.000 0.537 175 Q N -1.900 117.995 119.800 0.157 0.000 2.217 175 Q HA 0.086 4.466 4.340 0.067 0.000 0.217 175 Q C -0.724 175.422 176.000 0.243 0.000 0.844 175 Q CA -0.511 55.390 55.803 0.164 0.000 0.957 175 Q CB 1.188 30.060 28.738 0.223 0.000 1.127 175 Q HN -0.304 8.012 8.270 0.204 0.076 0.503 176 I N -0.020 120.679 120.570 0.216 0.000 2.336 176 I HA 0.089 4.411 4.170 0.253 0.000 0.292 176 I C -0.495 175.702 176.117 0.134 0.000 0.991 176 I CA -2.183 59.236 61.300 0.199 0.000 1.227 176 I CB -0.169 37.937 38.000 0.176 0.000 1.366 176 I HN -0.374 7.946 8.210 0.183 0.000 0.466 177 T N 1.808 116.438 114.554 0.125 0.000 2.922 177 T HA 0.383 4.775 4.350 0.070 0.000 0.281 177 T C 0.688 175.439 174.700 0.085 0.000 1.005 177 T CA -2.173 59.979 62.100 0.086 0.000 0.982 177 T CB 2.378 71.289 68.868 0.072 0.000 1.158 177 T HN -0.501 7.830 8.240 0.152 0.000 0.566 178 S N -2.130 113.605 115.700 0.059 0.000 2.603 178 S HA -0.165 4.344 4.470 0.064 0.000 0.229 178 S C -0.061 174.576 174.600 0.061 0.000 0.972 178 S CA 1.582 59.813 58.200 0.051 0.000 0.935 178 S CB -0.223 62.988 63.200 0.018 0.000 0.769 178 S HN 0.254 8.589 8.310 0.043 0.000 0.536 179 N N 0.345 119.096 118.700 0.086 0.000 2.238 179 N HA 0.140 4.934 4.740 0.090 0.000 0.222 179 N C -1.859 173.768 175.510 0.196 0.000 1.133 179 N CA -0.333 52.796 53.050 0.132 0.000 0.854 179 N CB 1.015 39.606 38.487 0.173 0.000 1.041 179 N HN -0.579 7.758 8.380 0.088 0.095 0.510 180 M N -1.130 118.571 119.600 0.169 0.000 2.619 180 M HA 0.859 5.608 4.480 0.096 -0.212 0.297 180 M C -2.439 173.977 176.300 0.193 0.000 1.229 180 M CA -0.411 54.966 55.300 0.129 0.000 0.860 180 M CB 5.085 37.737 32.600 0.088 0.000 1.741 180 M HN -0.708 7.587 8.290 0.149 0.084 0.462 181 F N -6.300 113.694 119.950 0.073 0.000 2.645 181 F HA 0.616 5.171 4.527 0.047 0.000 0.310 181 F C -2.620 173.232 175.800 0.087 0.000 1.102 181 F CA -1.711 56.328 58.000 0.065 0.000 0.952 181 F CB 2.414 41.449 39.000 0.057 0.000 1.326 181 F HN 0.180 8.342 8.300 -0.230 0.000 0.456 182 c N 0.135 118.904 118.600 0.282 0.000 2.391 182 c HA 0.991 5.813 4.570 0.089 -0.199 0.339 182 c C -1.007 173.279 174.090 0.327 0.000 1.205 182 c CA -0.823 55.623 56.329 0.194 0.000 1.937 182 c CB 2.660 45.247 42.510 0.129 0.000 2.341 182 c HN 0.848 9.269 8.230 0.319 0.000 0.516 183 A N 2.693 125.684 122.820 0.286 0.000 2.476 183 A HA 0.647 5.159 4.320 0.083 -0.142 0.280 183 A C -2.274 175.365 177.584 0.091 0.000 1.081 183 A CA -0.358 51.765 52.037 0.144 0.000 0.753 183 A CB 2.728 21.740 19.000 0.019 0.000 1.248 183 A HN 0.416 8.762 8.150 0.327 0.000 0.424 184 Y N 3.042 123.375 120.300 0.055 0.000 2.404 184 Y HA 0.056 4.625 4.550 0.032 0.000 0.344 184 Y C 0.967 176.882 175.900 0.026 0.000 0.995 184 Y CA -0.109 58.013 58.100 0.036 0.000 1.201 184 Y CB 0.323 38.803 38.460 0.033 0.000 1.151 184 Y HN 0.236 8.663 8.280 0.245 0.000 0.517 185 L N 4.006 125.297 121.223 0.112 0.000 2.275 185 L HA -0.301 4.067 4.340 0.047 0.000 0.215 185 L C 1.103 178.017 176.870 0.074 0.000 1.119 185 L CA 2.160 57.038 54.840 0.063 0.000 0.790 185 L CB -0.424 41.651 42.059 0.026 0.000 0.919 185 L HN 0.520 8.796 8.230 0.077 0.000 0.443 186 E N -2.072 118.193 120.200 0.107 0.000 2.427 186 E HA -0.122 4.257 4.350 0.048 0.000 0.196 186 E C 0.803 177.441 176.600 0.063 0.000 1.028 186 E CA 0.237 56.680 56.400 0.072 0.000 0.864 186 E CB -0.452 29.287 29.700 0.066 0.000 0.813 186 E HN 0.086 8.502 8.360 0.156 0.038 0.514 187 G N 0.821 109.676 108.800 0.091 0.000 3.391 187 G HA2 -0.367 3.676 3.960 0.084 0.000 0.683 187 G HA3 -0.367 3.620 3.960 0.045 0.000 0.683 187 G C -0.894 174.025 174.900 0.033 0.000 1.071 187 G CA -0.180 44.960 45.100 0.066 0.000 0.904 187 G HN -0.497 7.717 8.290 0.143 0.162 0.452 188 K N 1.200 121.587 120.400 -0.021 0.000 7.219 188 K HA -0.598 3.979 4.320 -0.010 -0.262 0.683 188 K C -1.372 175.312 176.600 0.140 0.000 2.548 188 K CA 0.400 56.683 56.287 -0.007 0.000 1.868 188 K CB -0.055 32.321 32.500 -0.207 0.000 1.932 188 K HN 0.248 8.512 8.250 0.023 0.000 0.297 189 D N 0.432 120.905 120.400 0.121 0.000 2.764 189 D HA 0.298 5.067 4.640 0.215 0.000 0.293 189 D C -1.892 174.479 176.300 0.119 0.000 1.287 189 D CA -0.620 53.472 54.000 0.153 0.000 0.768 189 D CB 4.249 45.122 40.800 0.121 0.000 1.288 189 D HN 0.190 8.605 8.370 0.076 0.000 0.426 190 S N -1.776 114.008 115.700 0.140 0.000 2.707 190 S HA 0.277 4.804 4.470 0.095 0.000 0.276 190 S C -1.390 173.257 174.600 0.078 0.000 1.179 190 S CA -0.507 57.764 58.200 0.119 0.000 0.992 190 S CB 1.665 64.974 63.200 0.182 0.000 1.030 190 S HN 0.265 8.677 8.310 0.170 0.000 0.554 191 c N -1.546 117.102 118.600 0.080 0.000 3.316 191 c HA 0.287 4.899 4.570 0.070 0.000 0.360 191 c C -1.502 172.668 174.090 0.133 0.000 1.560 191 c CA -0.666 55.710 56.329 0.079 0.000 1.229 191 c CB 3.046 45.580 42.510 0.040 0.000 1.823 191 c HN 0.277 8.852 8.230 0.096 -0.287 0.440 192 Q N 1.630 121.524 119.800 0.156 0.000 2.333 192 Q HA -0.361 4.115 4.340 0.227 0.000 0.299 192 Q C 1.062 177.271 176.000 0.348 0.000 1.067 192 Q CA 2.239 58.187 55.803 0.241 0.000 0.943 192 Q CB 0.753 29.645 28.738 0.257 0.000 1.233 192 Q HN 0.501 8.843 8.270 0.121 0.000 0.401 193 G N 5.675 114.682 108.800 0.344 0.000 2.258 193 G HA2 -0.432 3.719 3.960 0.318 0.000 0.233 193 G HA3 -0.432 3.887 3.960 0.599 0.000 0.233 193 G C 0.602 175.735 174.900 0.389 0.000 1.006 193 G CA 1.109 46.463 45.100 0.423 0.000 0.620 193 G HN 0.688 9.151 8.290 0.287 0.000 0.511 194 D N 2.031 122.596 120.400 0.274 0.000 2.327 194 D HA 0.123 4.901 4.640 0.230 0.000 0.205 194 D C 0.165 176.563 176.300 0.163 0.000 0.989 194 D CA 0.952 55.076 54.000 0.207 0.000 0.873 194 D CB 0.708 41.598 40.800 0.150 0.000 0.955 194 D HN 0.053 8.467 8.370 0.253 0.107 0.515 195 S N -0.515 115.281 115.700 0.161 0.000 2.599 195 S HA -0.574 4.143 4.470 0.145 -0.160 0.303 195 S C 1.102 175.704 174.600 0.003 0.000 1.267 195 S CA 2.386 60.655 58.200 0.115 0.000 1.055 195 S CB 0.017 63.314 63.200 0.162 0.000 0.790 195 S HN -0.520 7.908 8.310 0.196 0.000 0.500 196 G N 4.244 113.034 108.800 -0.015 0.000 2.253 196 G HA2 -0.452 3.561 3.960 -0.041 0.000 0.251 196 G HA3 -0.452 3.577 3.960 -0.083 -0.119 0.251 196 G C -0.161 174.765 174.900 0.044 0.000 0.998 196 G CA 0.194 45.276 45.100 -0.031 0.000 0.621 196 G HN 0.827 9.133 8.290 0.026 0.000 0.524 197 G N 1.025 109.877 108.800 0.086 0.000 2.616 197 G HA2 0.329 4.429 3.960 0.114 0.000 0.268 197 G HA3 0.329 4.358 3.960 0.115 0.000 0.268 197 G C -2.633 172.348 174.900 0.135 0.000 1.213 197 G CA -1.938 43.231 45.100 0.115 0.000 0.926 197 G HN -0.223 7.939 8.290 0.092 0.183 0.523 198 P HA 0.325 4.946 4.420 0.128 -0.125 0.282 198 P C -1.601 175.766 177.300 0.112 0.000 1.249 198 P CA -0.904 62.285 63.100 0.149 0.000 0.806 198 P CB 1.576 33.419 31.700 0.239 0.000 0.984 199 V N 2.714 122.672 119.914 0.073 0.000 2.380 199 V HA 0.236 4.498 4.120 -0.015 -0.151 0.286 199 V C -1.335 174.769 176.094 0.016 0.000 1.015 199 V CA -0.435 61.870 62.300 0.007 0.000 0.834 199 V CB 1.663 33.459 31.823 -0.044 0.000 1.009 199 V HN -0.198 8.040 8.190 0.081 0.000 0.428 200 V N 8.176 128.092 119.914 0.003 0.000 2.417 200 V HA 0.639 4.909 4.120 -0.068 -0.191 0.291 200 V C -1.278 174.797 176.094 -0.031 0.000 1.024 200 V CA -1.237 61.037 62.300 -0.043 0.000 0.861 200 V CB 2.747 34.525 31.823 -0.076 0.000 0.985 200 V HN 0.573 8.779 8.190 0.027 0.000 0.436 201 c N 7.496 126.065 118.600 -0.052 0.000 2.441 201 c HA 0.586 5.135 4.570 -0.036 0.000 0.318 201 c C 0.306 174.367 174.090 -0.049 0.000 1.222 201 c CA -1.394 54.904 56.329 -0.052 0.000 1.474 201 c CB 2.396 44.855 42.510 -0.085 0.000 2.125 201 c HN 0.590 8.782 8.230 -0.063 0.000 0.479 202 S N 3.966 119.645 115.700 -0.034 0.000 3.462 202 S HA -0.458 4.002 4.470 -0.018 0.000 0.370 202 S C 0.430 175.012 174.600 -0.031 0.000 1.028 202 S CA 1.136 59.319 58.200 -0.028 0.000 1.119 202 S CB -1.960 61.218 63.200 -0.035 0.000 0.906 202 S HN 1.188 9.483 8.310 -0.026 0.000 0.471 203 G N -5.037 103.744 108.800 -0.033 0.000 2.153 203 G HA2 -0.515 3.417 3.960 -0.048 0.000 0.252 203 G HA3 -0.515 3.428 3.960 -0.030 0.000 0.252 203 G C -1.190 173.662 174.900 -0.080 0.000 0.994 203 G CA 0.375 45.447 45.100 -0.047 0.000 0.698 203 G HN 0.332 8.588 8.290 -0.025 0.019 0.521 210 Q N 1.347 121.165 119.800 0.031 0.000 2.396 210 Q HA 0.196 4.570 4.340 0.056 0.000 0.220 210 Q C -0.200 175.963 176.000 0.273 0.000 0.900 210 Q CA 0.189 56.032 55.803 0.067 0.000 0.925 210 Q CB 2.649 31.346 28.738 -0.069 0.000 1.065 210 Q HN 0.322 8.600 8.270 0.013 0.000 0.535 211 G N -3.234 105.746 108.800 0.299 0.000 2.694 211 G HA2 0.629 5.100 3.960 0.434 0.000 0.290 211 G HA3 0.629 4.854 3.960 0.442 0.000 0.290 211 G C -3.221 171.802 174.900 0.204 0.000 1.386 211 G CA -0.793 44.527 45.100 0.367 0.000 0.872 211 G HN -0.368 8.030 8.290 0.180 0.000 0.475 212 I N -1.256 119.429 120.570 0.192 0.000 2.466 212 I HA 0.553 5.030 4.170 0.158 -0.211 0.289 212 I C -0.408 175.839 176.117 0.217 0.000 1.026 212 I CA -1.384 60.014 61.300 0.162 0.000 1.078 212 I CB 4.280 42.336 38.000 0.092 0.000 1.249 212 I HN -0.391 7.999 8.210 0.170 -0.078 0.429 213 V N 7.310 127.367 119.914 0.238 0.000 2.493 213 V HA -0.231 3.931 4.120 0.070 0.000 0.292 213 V C -1.206 174.909 176.094 0.035 0.000 1.016 213 V CA 2.098 64.484 62.300 0.142 0.000 1.097 213 V CB -1.185 30.741 31.823 0.171 0.000 0.947 213 V HN 0.376 8.691 8.190 0.208 0.000 0.479 214 S N 7.399 123.023 115.700 -0.127 0.000 3.200 214 S HA 0.409 5.069 4.470 0.316 0.000 0.209 214 S C -1.330 173.361 174.600 0.151 0.000 0.869 214 S CA 1.116 59.383 58.200 0.112 0.000 0.820 214 S CB 2.136 65.390 63.200 0.090 0.000 0.834 214 S HN -0.132 7.887 8.310 -0.485 0.000 0.622 215 W N -4.187 116.947 121.300 -0.276 0.000 3.069 215 W HA 0.276 4.818 4.660 -0.197 0.000 0.390 215 W C -2.593 173.747 176.519 -0.299 0.000 1.130 215 W CA -0.787 56.402 57.345 -0.261 0.000 1.138 215 W CB 1.350 30.650 29.460 -0.268 0.000 1.497 215 W HN -0.219 7.671 8.180 -0.484 0.000 0.600 216 G N -3.272 105.594 108.800 0.110 0.000 2.328 216 G HA2 0.040 3.703 3.960 -0.494 0.000 0.295 216 G HA3 0.040 3.933 3.960 -0.111 0.000 0.295 216 G C -2.416 172.616 174.900 0.220 0.000 1.413 216 G CA 0.225 45.277 45.100 -0.079 0.000 0.817 216 G HN -0.060 8.492 8.290 0.437 0.000 0.546 220 c N 1.833 120.471 118.600 0.064 0.000 3.359 220 c HA 0.284 5.026 4.570 0.063 -0.134 0.194 220 c C -1.410 172.711 174.090 0.052 0.000 1.659 220 c CA -1.051 55.312 56.329 0.056 0.000 1.338 220 c CB -1.520 41.014 42.510 0.041 0.000 2.109 220 c HN 0.323 8.586 8.230 0.056 0.000 0.518 221 Q N -2.177 117.658 119.800 0.058 0.000 2.896 221 Q HA 0.083 4.445 4.340 0.037 0.000 0.241 221 Q C -1.422 174.603 176.000 0.041 0.000 0.999 221 Q CA -0.863 54.968 55.803 0.046 0.000 0.912 221 Q CB 1.971 30.739 28.738 0.050 0.000 2.012 221 Q HN -0.067 8.244 8.270 0.069 0.000 0.489 222 K N 4.095 124.512 120.400 0.029 0.000 2.489 222 K HA -0.282 4.182 4.320 0.034 -0.124 0.278 222 K C 0.267 176.868 176.600 0.001 0.000 1.000 222 K CA 0.838 57.138 56.287 0.022 0.000 1.012 222 K CB -0.047 32.462 32.500 0.015 0.000 0.903 222 K HN 0.293 8.558 8.250 0.026 0.000 0.485 223 N N 1.846 120.541 118.700 -0.007 0.000 2.732 223 N HA -0.487 4.225 4.740 -0.046 0.000 0.250 223 N C -1.529 173.913 175.510 -0.113 0.000 1.097 223 N CA 1.813 54.831 53.050 -0.053 0.000 0.812 223 N CB -0.374 38.077 38.487 -0.061 0.000 1.148 223 N HN 0.774 9.037 8.380 0.013 0.125 0.572 224 K N -1.638 118.726 120.400 -0.060 0.000 2.679 224 K HA 0.547 4.673 4.320 -0.322 0.000 0.188 224 K C -2.307 174.338 176.600 0.075 0.000 1.055 224 K CA -3.497 52.750 56.287 -0.067 0.000 1.006 224 K CB -0.126 32.400 32.500 0.043 0.000 1.317 224 K HN -0.665 7.520 8.250 -0.005 0.062 0.584 225 P HA -0.063 4.420 4.420 0.106 0.000 0.274 225 P C -0.530 176.826 177.300 0.093 0.000 1.260 225 P CA -0.417 62.748 63.100 0.110 0.000 0.793 225 P CB 1.131 32.880 31.700 0.082 0.000 1.048 226 G N -2.500 106.324 108.800 0.040 0.000 2.476 226 G HA2 0.319 4.180 3.960 -0.324 0.000 0.269 226 G HA3 0.319 4.165 3.960 -0.191 0.000 0.269 226 G C -1.848 172.758 174.900 -0.490 0.000 1.195 226 G CA -0.764 44.190 45.100 -0.243 0.000 0.843 226 G HN -0.367 8.005 8.290 0.137 0.000 0.545 227 V N 2.270 121.562 119.914 -1.036 0.000 2.495 227 V HA 0.611 4.506 4.120 -0.658 -0.170 0.298 227 V C -0.992 174.351 176.094 -1.252 0.000 1.031 227 V CA -0.978 60.658 62.300 -1.106 0.000 0.871 227 V CB 2.230 32.892 31.823 -1.934 0.000 0.988 227 V HN 0.450 7.978 8.190 -1.103 0.000 0.432 228 Y N 5.146 125.037 120.300 -0.683 0.000 2.499 228 Y HA 0.571 5.037 4.550 -0.382 -0.145 0.347 228 Y C 0.277 175.880 175.900 -0.496 0.000 0.987 228 Y CA -2.256 55.449 58.100 -0.659 0.000 1.044 228 Y CB 3.831 41.614 38.460 -1.128 0.000 1.245 228 Y HN 0.975 8.888 8.280 -0.611 0.000 0.461 229 T N 4.868 119.387 114.554 -0.058 0.000 2.870 229 T HA 0.005 4.570 4.350 0.107 -0.151 0.300 229 T C -0.624 174.208 174.700 0.220 0.000 0.989 229 T CA 1.564 63.715 62.100 0.085 0.000 1.139 229 T CB 0.525 69.427 68.868 0.058 0.000 0.920 229 T HN 0.399 8.637 8.240 -0.004 0.000 0.537 230 K N 8.159 128.778 120.400 0.364 0.000 2.127 230 K HA 0.069 4.824 4.320 0.726 0.000 0.261 230 K C 0.916 177.767 176.600 0.418 0.000 1.129 230 K CA -0.409 56.170 56.287 0.486 0.000 0.993 230 K CB -0.400 32.324 32.500 0.373 0.000 1.410 230 K HN 0.156 8.504 8.250 0.333 0.103 0.380 231 V N 5.893 126.039 119.914 0.386 0.000 2.469 231 V HA -0.517 3.910 4.120 0.513 0.000 0.251 231 V C 1.448 177.698 176.094 0.260 0.000 1.064 231 V CA 3.854 66.368 62.300 0.356 0.000 1.066 231 V CB -0.304 31.659 31.823 0.234 0.000 0.667 231 V HN 0.201 8.634 8.190 0.406 0.000 0.461 232 c N -3.178 115.511 118.600 0.149 0.000 2.410 232 c HA -0.234 4.378 4.570 0.069 0.000 0.281 232 c C 1.750 175.854 174.090 0.022 0.000 1.318 232 c CA 1.844 58.213 56.329 0.066 0.000 1.776 232 c CB -2.097 40.423 42.510 0.017 0.000 1.942 232 c HN 0.510 8.828 8.230 0.147 0.000 0.508 233 N N 0.872 119.545 118.700 -0.045 0.000 2.494 233 N HA -0.106 4.529 4.740 -0.174 0.000 0.182 233 N C 0.386 175.649 175.510 -0.412 0.000 1.076 233 N CA 1.313 54.195 53.050 -0.280 0.000 0.908 233 N CB -0.276 37.907 38.487 -0.506 0.000 0.967 233 N HN -0.369 7.995 8.380 0.028 0.032 0.449 234 Y N -4.645 115.721 120.300 0.111 0.000 2.481 234 Y HA 0.159 4.840 4.550 0.219 0.000 0.247 234 Y C 0.101 176.141 175.900 0.232 0.000 1.151 234 Y CA -0.491 57.730 58.100 0.202 0.000 1.238 234 Y CB -0.051 38.539 38.460 0.217 0.000 1.179 234 Y HN -0.136 8.055 8.280 0.164 0.187 0.524 235 V N 1.171 121.225 119.914 0.233 0.000 2.332 235 V HA -0.575 3.644 4.120 0.165 0.000 0.248 235 V C 1.362 177.531 176.094 0.125 0.000 1.055 235 V CA 4.967 67.360 62.300 0.155 0.000 1.038 235 V CB -0.610 31.265 31.823 0.086 0.000 0.651 235 V HN -0.871 7.417 8.190 0.163 0.000 0.450 236 S N -0.086 115.688 115.700 0.124 0.000 2.368 236 S HA -0.339 4.156 4.470 0.042 0.000 0.225 236 S C 1.839 176.516 174.600 0.128 0.000 1.030 236 S CA 3.007 61.262 58.200 0.092 0.000 0.999 236 S CB -0.461 62.789 63.200 0.084 0.000 0.844 236 S HN 0.152 8.533 8.310 0.119 0.000 0.459 237 W N 4.230 125.569 121.300 0.064 0.000 2.355 237 W HA -0.168 4.520 4.660 0.046 0.000 0.309 237 W C 1.826 178.360 176.519 0.025 0.000 1.206 237 W CA 3.040 60.433 57.345 0.080 0.000 1.284 237 W CB -0.057 29.534 29.460 0.218 0.000 1.145 237 W HN -0.386 8.032 8.180 0.396 0.000 0.502 238 I N -0.761 119.818 120.570 0.015 0.000 2.127 238 I HA -0.767 3.027 4.170 -0.626 0.000 0.241 238 I C 1.745 177.636 176.117 -0.377 0.000 1.075 238 I CA 4.559 65.692 61.300 -0.278 0.000 1.334 238 I CB -0.274 37.728 38.000 0.003 0.000 1.040 238 I HN 0.409 8.824 8.210 0.342 0.000 0.405 239 K N -0.965 119.311 120.400 -0.205 0.000 2.032 239 K HA -0.447 3.730 4.320 -0.238 0.000 0.209 239 K C 2.736 179.187 176.600 -0.248 0.000 1.048 239 K CA 3.815 59.980 56.287 -0.204 0.000 0.927 239 K CB -0.380 32.061 32.500 -0.099 0.000 0.712 239 K HN -0.249 7.947 8.250 -0.091 0.000 0.441 240 Q N -1.555 118.110 119.800 -0.225 0.000 2.050 240 Q HA -0.311 3.935 4.340 -0.156 0.000 0.202 240 Q C 2.682 178.490 176.000 -0.321 0.000 0.980 240 Q CA 3.288 58.964 55.803 -0.211 0.000 0.840 240 Q CB -0.002 28.660 28.738 -0.127 0.000 0.898 240 Q HN 0.207 8.371 8.270 -0.177 0.000 0.424 241 T N 2.834 117.067 114.554 -0.536 0.000 2.746 241 T HA -0.249 3.849 4.350 -0.420 0.000 0.267 241 T C 2.541 176.906 174.700 -0.558 0.000 1.039 241 T CA 4.831 66.569 62.100 -0.603 0.000 1.142 241 T CB -0.172 68.039 68.868 -1.094 0.000 0.866 241 T HN 0.109 7.848 8.240 -0.656 0.107 0.444 242 I N 1.131 121.267 120.570 -0.723 0.000 2.252 242 I HA -0.448 2.930 4.170 -1.321 0.000 0.245 242 I C 1.604 177.490 176.117 -0.384 0.000 1.102 242 I CA 3.549 64.306 61.300 -0.905 0.000 1.385 242 I CB -0.376 37.015 38.000 -1.015 0.000 1.064 242 I HN 0.096 7.882 8.210 -0.706 0.000 0.414 243 A N 0.517 123.166 122.820 -0.286 0.000 1.883 243 A HA -0.239 4.016 4.320 -0.108 0.000 0.217 243 A C 1.487 179.016 177.584 -0.091 0.000 1.186 243 A CA 3.154 55.104 52.037 -0.145 0.000 0.624 243 A CB -0.240 18.684 19.000 -0.128 0.000 0.822 243 A HN 0.069 8.013 8.150 -0.335 0.005 0.444 244 S N -4.311 111.324 115.700 -0.108 0.000 2.701 244 S HA -0.000 4.451 4.470 -0.031 0.000 0.220 244 S C -0.055 174.540 174.600 -0.007 0.000 0.954 244 S CA 0.606 58.775 58.200 -0.052 0.000 0.936 244 S CB 0.052 63.215 63.200 -0.062 0.000 0.777 244 S HN -0.112 8.100 8.310 -0.165 0.000 0.518 245 N N 0.000 118.719 118.700 0.032 0.000 1.763 245 N HA 0.000 4.808 4.740 0.113 0.000 0.220 245 N CA 0.000 53.147 53.050 0.162 0.000 0.885 245 N CB 0.000 38.648 38.487 0.268 0.000 1.341 245 N HN 0.000 8.189 8.380 -0.009 0.185 0.667