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 1o39_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 0.025 0.000 0.288 16 I C 0.000 176.108 176.117 -0.014 0.000 1.063 16 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 16 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 17 V N 5.352 125.268 119.914 0.004 0.000 2.483 17 V HA 0.270 4.522 4.120 -0.017 -0.141 0.295 17 V C 0.660 176.755 176.094 0.001 0.000 1.035 17 V CA -1.678 60.620 62.300 -0.002 0.000 0.896 17 V CB 1.380 33.208 31.823 0.008 0.000 0.986 17 V HN 0.777 8.982 8.190 0.026 0.000 0.447 18 G N 6.276 115.071 108.800 -0.008 0.000 2.168 18 G HA2 -0.404 3.549 3.960 -0.013 0.000 0.257 18 G HA3 -0.404 3.696 3.960 -0.028 -0.157 0.257 18 G C -0.624 174.281 174.900 0.009 0.000 0.997 18 G CA 0.578 45.671 45.100 -0.012 0.000 0.708 18 G HN 0.787 9.070 8.290 -0.011 0.000 0.520 19 G N -1.053 107.750 108.800 0.004 0.000 2.583 19 G HA2 0.454 4.443 3.960 0.065 0.000 0.280 19 G HA3 0.454 4.430 3.960 -0.099 -0.075 0.280 19 G C -1.672 173.262 174.900 0.057 0.000 1.376 19 G CA -0.988 44.109 45.100 -0.004 0.000 1.043 19 G HN -0.682 7.559 8.290 -0.013 0.042 0.538 20 Y N -6.198 114.081 120.300 -0.033 0.000 2.638 20 Y HA 0.376 4.908 4.550 -0.029 0.000 0.339 20 Y C -1.842 174.032 175.900 -0.043 0.000 1.084 20 Y CA -2.806 55.274 58.100 -0.033 0.000 1.068 20 Y CB 1.070 39.513 38.460 -0.028 0.000 1.294 20 Y HN 0.345 8.165 8.280 -0.592 0.105 0.480 21 T N 2.387 116.994 114.554 0.089 0.000 2.799 21 T HA 0.104 4.532 4.350 -0.096 -0.135 0.296 21 T C 0.178 174.901 174.700 0.039 0.000 0.947 21 T CA 0.966 63.066 62.100 0.001 0.000 1.141 21 T CB -0.061 68.834 68.868 0.046 0.000 0.891 21 T HN 0.004 8.354 8.240 0.183 0.000 0.533 22 c N 6.168 124.699 118.600 -0.116 0.000 2.425 22 c HA -0.088 4.490 4.570 0.013 0.000 0.277 22 c C 0.321 174.427 174.090 0.026 0.000 1.280 22 c CA 0.561 56.852 56.329 -0.063 0.000 1.744 22 c CB 0.216 42.619 42.510 -0.178 0.000 1.989 22 c HN 0.059 8.171 8.230 -0.198 0.000 0.491 23 G N -1.598 107.204 108.800 0.003 0.000 2.906 23 G HA2 -0.178 3.798 3.960 0.026 0.000 0.686 23 G HA3 -0.178 3.800 3.960 0.031 0.000 0.686 23 G C -1.835 173.066 174.900 0.002 0.000 1.170 23 G CA -0.733 44.379 45.100 0.019 0.000 0.775 23 G HN -0.372 7.904 8.290 -0.024 0.000 0.630 24 A N 3.867 126.696 122.820 0.016 0.000 2.566 24 A HA -0.213 4.300 4.320 0.029 -0.176 0.245 24 A C -0.333 177.257 177.584 0.010 0.000 1.056 24 A CA 1.027 53.077 52.037 0.021 0.000 0.757 24 A CB 0.030 19.049 19.000 0.031 0.000 0.979 24 A HN 0.277 8.440 8.150 0.022 0.000 0.508 25 N N -2.632 116.071 118.700 0.006 0.000 2.708 25 N HA -0.364 4.368 4.740 -0.014 0.000 0.249 25 N C 0.516 176.009 175.510 -0.029 0.000 1.097 25 N CA 1.551 54.596 53.050 -0.008 0.000 0.710 25 N CB -0.909 37.584 38.487 0.009 0.000 1.032 25 N HN 0.438 8.829 8.380 0.019 0.000 0.551 26 T N -3.684 110.844 114.554 -0.044 0.000 3.081 26 T HA 0.015 4.358 4.350 -0.013 0.000 0.255 26 T C 0.070 174.720 174.700 -0.084 0.000 1.113 26 T CA 2.129 64.208 62.100 -0.036 0.000 1.082 26 T CB 0.503 69.364 68.868 -0.013 0.000 0.939 26 T HN -0.466 7.718 8.240 -0.049 0.027 0.506 27 V N 2.633 122.440 119.914 -0.179 0.000 2.271 27 V HA 0.397 4.285 4.120 -0.388 0.000 0.259 27 V C -1.461 174.345 176.094 -0.480 0.000 1.030 27 V CA -3.374 58.680 62.300 -0.410 0.000 0.957 27 V CB 0.345 31.895 31.823 -0.455 0.000 1.186 27 V HN -0.462 7.586 8.190 -0.154 0.050 0.471 28 P HA 0.042 4.530 4.420 -0.082 -0.117 0.230 28 P C -0.061 177.194 177.300 -0.074 0.000 1.158 28 P CA 1.571 64.602 63.100 -0.115 0.000 0.769 28 P CB 0.067 31.773 31.700 0.010 0.000 0.807 29 Y N -6.481 113.844 120.300 0.042 0.000 2.457 29 Y HA 0.552 5.275 4.550 0.056 -0.140 0.263 29 Y C -0.671 175.265 175.900 0.061 0.000 1.164 29 Y CA -3.504 54.626 58.100 0.050 0.000 1.274 29 Y CB -1.113 37.373 38.460 0.043 0.000 1.097 29 Y HN -0.409 7.221 8.280 -0.985 0.059 0.523 30 Q N 2.911 122.569 119.800 -0.237 0.000 2.304 30 Q HA 0.225 4.740 4.340 0.068 -0.135 0.260 30 Q C -0.370 175.706 176.000 0.126 0.000 0.965 30 Q CA 0.062 55.836 55.803 -0.049 0.000 0.898 30 Q CB 1.194 29.801 28.738 -0.219 0.000 1.196 30 Q HN -0.659 7.243 8.270 -0.511 0.062 0.402 31 V N 1.141 121.168 119.914 0.189 0.000 3.074 31 V HA 0.872 5.229 4.120 0.183 -0.127 0.314 31 V C -2.073 174.162 176.094 0.234 0.000 1.117 31 V CA -2.880 59.527 62.300 0.178 0.000 1.014 31 V CB 4.012 35.891 31.823 0.094 0.000 1.057 31 V HN 0.215 8.513 8.190 0.180 0.000 0.438 32 S N 0.499 116.241 115.700 0.071 0.000 2.482 32 S HA 0.486 5.188 4.470 0.197 -0.115 0.303 32 S C -1.098 173.395 174.600 -0.178 0.000 1.091 32 S CA -2.070 56.116 58.200 -0.024 0.000 1.057 32 S CB 1.896 64.862 63.200 -0.390 0.000 1.031 32 S HN 0.131 8.444 8.310 0.005 0.000 0.485 33 L N 6.815 127.813 121.223 -0.374 0.000 2.272 33 L HA 0.549 4.824 4.340 -0.323 -0.129 0.289 33 L C -1.635 174.841 176.870 -0.655 0.000 1.032 33 L CA -0.901 53.606 54.840 -0.556 0.000 0.810 33 L CB 0.868 42.392 42.059 -0.891 0.000 1.205 33 L HN 0.675 8.648 8.230 -0.429 0.000 0.422 38 G N 0.854 109.562 108.800 -0.153 0.000 2.195 38 G HA2 -0.342 3.610 3.960 -0.013 0.000 0.224 38 G HA3 -0.342 3.693 3.960 0.124 0.000 0.224 38 G C -1.778 173.217 174.900 0.159 0.000 0.990 38 G CA 0.199 45.319 45.100 0.034 0.000 0.639 38 G HN 0.267 8.713 8.290 -0.192 -0.272 0.514 39 Y N -6.772 113.503 120.300 -0.042 0.000 2.702 39 Y HA 0.240 4.755 4.550 -0.058 0.000 0.336 39 Y C -2.511 173.392 175.900 0.004 0.000 1.203 39 Y CA -3.525 54.553 58.100 -0.037 0.000 1.072 39 Y CB 0.695 39.128 38.460 -0.044 0.000 1.327 39 Y HN -1.166 6.867 8.280 -0.438 -0.015 0.456 40 H N 1.937 120.954 119.070 -0.089 0.000 2.690 40 H HA 0.026 4.552 4.556 -0.319 -0.162 0.314 40 H C -0.767 174.543 175.328 -0.030 0.000 1.069 40 H CA 0.006 55.936 56.048 -0.197 0.000 1.436 40 H CB 0.580 30.203 29.762 -0.232 0.000 1.462 40 H HN 0.218 8.594 8.280 0.160 0.000 0.511 41 F N 1.267 120.725 119.950 -0.819 0.000 2.819 41 F HA 0.283 4.676 4.527 -0.223 0.000 0.325 41 F C -2.063 173.473 175.800 -0.440 0.000 1.041 41 F CA -0.595 57.134 58.000 -0.452 0.000 1.184 41 F CB 1.602 40.428 39.000 -0.290 0.000 1.019 41 F HN -0.169 7.440 8.300 -1.152 0.000 0.590 42 c N -1.689 116.217 118.600 -1.157 0.000 3.321 42 c HA 0.357 4.833 4.570 -0.225 -0.041 0.329 42 c C -1.622 172.285 174.090 -0.305 0.000 1.394 42 c CA -0.242 55.759 56.329 -0.547 0.000 1.291 42 c CB 4.118 46.340 42.510 -0.480 0.000 1.606 42 c HN -0.824 6.422 8.230 -1.640 0.000 0.463 43 G N -1.095 107.694 108.800 -0.019 0.000 2.705 43 G HA2 0.818 5.080 3.960 0.234 0.000 0.299 43 G HA3 0.818 4.894 3.960 0.193 0.000 0.299 43 G C -2.541 172.379 174.900 0.033 0.000 1.315 43 G CA -1.669 43.511 45.100 0.133 0.000 1.045 43 G HN 0.824 9.101 8.290 -0.023 0.000 0.517 44 G N -4.074 104.779 108.800 0.089 0.000 2.506 44 G HA2 0.488 4.773 3.960 0.066 0.000 0.292 44 G HA3 0.488 4.477 3.960 0.049 0.000 0.292 44 G C -2.932 172.049 174.900 0.135 0.000 1.425 44 G CA 0.392 45.538 45.100 0.077 0.000 0.788 44 G HN -0.632 7.744 8.290 0.142 0.000 0.490 45 S N -0.514 115.272 115.700 0.144 0.000 2.521 45 S HA 0.857 5.696 4.470 0.267 -0.208 0.295 45 S C -1.289 173.415 174.600 0.172 0.000 1.098 45 S CA -0.960 57.360 58.200 0.201 0.000 0.999 45 S CB 3.775 67.081 63.200 0.177 0.000 1.034 45 S HN 0.495 8.877 8.310 0.120 0.000 0.483 46 L N 6.117 127.460 121.223 0.199 0.000 2.313 46 L HA 0.159 4.587 4.340 0.147 0.000 0.282 46 L C -0.750 176.206 176.870 0.144 0.000 1.092 46 L CA -0.106 54.831 54.840 0.162 0.000 0.831 46 L CB 0.987 43.141 42.059 0.158 0.000 1.159 46 L HN 0.582 8.858 8.230 0.262 0.112 0.442 47 I N 0.208 120.858 120.570 0.134 0.000 4.070 47 I HA 0.484 4.835 4.170 0.070 -0.139 0.328 47 I C -0.931 175.246 176.117 0.100 0.000 1.298 47 I CA -0.530 60.828 61.300 0.096 0.000 1.173 47 I CB 1.045 39.092 38.000 0.077 0.000 1.051 47 I HN 0.434 8.740 8.210 0.160 0.000 0.409 48 N N -2.212 116.570 118.700 0.137 0.000 3.116 48 N HA 0.168 4.966 4.740 0.097 0.000 0.244 48 N C -0.491 175.098 175.510 0.133 0.000 1.485 48 N CA -0.640 52.488 53.050 0.130 0.000 0.884 48 N CB 0.875 39.453 38.487 0.152 0.000 1.415 48 N HN -0.894 7.583 8.380 0.161 0.000 0.524 49 S N -3.348 112.416 115.700 0.108 0.000 2.507 49 S HA -0.327 4.185 4.470 0.071 0.000 0.235 49 S C 0.805 175.438 174.600 0.054 0.000 0.988 49 S CA 2.756 61.002 58.200 0.076 0.000 0.944 49 S CB -0.140 63.093 63.200 0.056 0.000 0.762 49 S HN 0.402 8.773 8.310 0.101 0.000 0.526 50 Q N -0.738 119.108 119.800 0.077 0.000 2.127 50 Q HA 0.335 4.617 4.340 -0.096 0.000 0.222 50 Q C -2.108 173.772 176.000 -0.200 0.000 0.794 50 Q CA -0.461 55.294 55.803 -0.081 0.000 1.010 50 Q CB 2.718 31.379 28.738 -0.128 0.000 1.170 50 Q HN 0.176 8.855 8.270 0.170 -0.307 0.479 51 W N -2.084 119.223 121.300 0.012 0.000 3.022 51 W HA 0.667 5.529 4.660 0.008 -0.197 0.335 51 W C -1.635 174.898 176.519 0.023 0.000 1.133 51 W CA -0.975 56.376 57.345 0.009 0.000 1.219 51 W CB 3.924 33.380 29.460 -0.007 0.000 1.409 51 W HN -0.242 8.189 8.180 0.243 -0.105 0.507 52 V N 1.083 121.155 119.914 0.264 0.000 2.914 52 V HA 0.808 5.195 4.120 0.170 -0.166 0.314 52 V C -1.526 174.680 176.094 0.186 0.000 1.084 52 V CA -1.843 60.564 62.300 0.178 0.000 0.963 52 V CB 3.907 35.793 31.823 0.105 0.000 1.025 52 V HN 0.831 9.192 8.190 0.284 0.000 0.432 53 V N 4.768 124.769 119.914 0.145 0.000 2.555 53 V HA 0.832 5.230 4.120 0.152 -0.187 0.302 53 V C -1.300 174.849 176.094 0.093 0.000 1.038 53 V CA -1.474 60.904 62.300 0.130 0.000 0.887 53 V CB 2.734 34.627 31.823 0.117 0.000 0.991 53 V HN 0.578 8.848 8.190 0.134 0.000 0.434 54 S N 3.801 119.542 115.700 0.068 0.000 2.973 54 S HA 0.563 5.262 4.470 0.026 -0.213 0.317 54 S C -2.061 172.527 174.600 -0.021 0.000 1.196 54 S CA -2.478 55.732 58.200 0.018 0.000 0.894 54 S CB 2.403 65.599 63.200 -0.006 0.000 1.292 54 S HN 0.638 8.999 8.310 0.085 0.000 0.614 55 A N -0.715 122.052 122.820 -0.088 0.000 2.303 55 A HA 0.495 4.913 4.320 -0.109 -0.164 0.317 55 A C 0.448 177.912 177.584 -0.200 0.000 1.149 55 A CA -1.708 50.239 52.037 -0.151 0.000 0.822 55 A CB 1.642 20.499 19.000 -0.239 0.000 1.131 55 A HN 0.287 8.372 8.150 -0.107 0.000 0.493 56 A N 4.197 126.842 122.820 -0.291 0.000 1.972 56 A HA -0.231 3.941 4.320 -0.247 0.000 0.219 56 A C 1.225 178.572 177.584 -0.397 0.000 1.169 56 A CA 2.782 54.530 52.037 -0.483 0.000 0.635 56 A CB -0.285 17.992 19.000 -1.206 0.000 0.810 56 A HN 0.575 8.589 8.150 -0.275 -0.028 0.446 57 H N -4.853 114.050 119.070 -0.278 0.000 2.563 57 H HA -0.059 4.527 4.556 0.048 0.000 0.272 57 H C 0.012 175.391 175.328 0.085 0.000 1.005 57 H CA 1.313 57.361 56.048 -0.000 0.000 1.171 57 H CB -1.252 28.581 29.762 0.118 0.000 1.351 57 H HN 0.010 8.459 8.280 -0.192 -0.284 0.602 58 c N -1.260 117.266 118.600 -0.122 0.000 2.791 58 c HA -0.016 4.631 4.570 0.129 0.000 0.270 58 c C -0.987 173.201 174.090 0.164 0.000 1.257 58 c CA 0.136 56.489 56.329 0.039 0.000 1.699 58 c CB -1.327 41.150 42.510 -0.055 0.000 1.904 58 c HN -0.685 7.225 8.230 -0.196 0.202 0.603 59 Y N 2.319 122.628 120.300 0.016 0.000 2.597 59 Y HA -0.167 4.409 4.550 0.044 0.000 0.336 59 Y C -1.511 174.384 175.900 -0.008 0.000 1.216 59 Y CA 1.482 59.594 58.100 0.020 0.000 1.463 59 Y CB 1.068 39.524 38.460 -0.007 0.000 1.303 59 Y HN -0.438 7.761 8.280 0.166 0.181 0.576 60 K N 5.354 125.008 120.400 -1.243 0.000 2.772 60 K HA 0.167 4.068 4.320 -0.699 0.000 0.292 60 K C -2.572 173.514 176.600 -0.857 0.000 1.049 60 K CA -1.025 54.744 56.287 -0.865 0.000 0.846 60 K CB 2.073 34.247 32.500 -0.542 0.000 1.514 60 K HN -0.058 7.259 8.250 -1.555 0.000 0.373 61 S N -0.237 115.186 115.700 -0.462 0.000 2.687 61 S HA 0.126 4.428 4.470 -0.281 0.000 0.283 61 S C 0.662 175.133 174.600 -0.213 0.000 1.170 61 S CA -0.281 57.758 58.200 -0.267 0.000 1.008 61 S CB 1.173 64.306 63.200 -0.112 0.000 1.026 61 S HN -0.171 7.937 8.310 -0.337 0.000 0.541 62 G N 0.174 108.888 108.800 -0.142 0.000 2.326 62 G HA2 -0.239 3.668 3.960 -0.088 0.000 0.286 62 G HA3 -0.239 3.649 3.960 -0.120 0.000 0.286 62 G C -1.888 172.940 174.900 -0.120 0.000 1.096 62 G CA 0.163 45.192 45.100 -0.117 0.000 1.003 62 G HN 0.305 8.526 8.290 -0.114 0.000 0.503 63 I N -1.170 119.344 120.570 -0.095 0.000 2.377 63 I HA 0.185 4.472 4.170 -0.014 -0.125 0.293 63 I C -1.800 174.277 176.117 -0.066 0.000 0.987 63 I CA -1.238 60.033 61.300 -0.047 0.000 1.185 63 I CB 1.584 39.577 38.000 -0.011 0.000 1.341 63 I HN -0.535 7.618 8.210 -0.094 0.000 0.455 64 Q N 6.785 126.533 119.800 -0.088 0.000 3.106 64 Q HA 0.590 4.975 4.340 -0.080 -0.093 0.247 64 Q C -1.701 174.217 176.000 -0.137 0.000 1.033 64 Q CA -1.987 53.749 55.803 -0.112 0.000 0.888 64 Q CB 4.364 33.004 28.738 -0.164 0.000 1.586 64 Q HN 0.538 8.757 8.270 -0.085 0.000 0.482 65 R N -2.565 117.883 120.500 -0.087 0.000 3.262 65 R HA 0.427 5.025 4.340 0.136 -0.176 0.270 65 R C -1.464 174.869 176.300 0.056 0.000 1.147 65 R CA 0.074 56.163 56.100 -0.019 0.000 1.189 65 R CB 2.384 32.539 30.300 -0.241 0.000 1.271 65 R HN 0.634 8.835 8.270 -0.115 0.000 0.447 70 E N -0.669 119.624 120.200 0.154 0.000 2.319 70 E HA 0.084 4.508 4.350 0.124 0.000 0.268 70 E C -1.604 175.184 176.600 0.314 0.000 1.050 70 E CA 0.604 57.108 56.400 0.174 0.000 0.878 70 E CB 1.420 31.138 29.700 0.031 0.000 1.066 70 E HN -0.572 7.847 8.360 0.169 0.042 0.406 71 D N 0.952 121.513 120.400 0.269 0.000 2.900 71 D HA 0.058 4.937 4.640 0.397 0.000 0.175 71 D C -1.170 175.324 176.300 0.324 0.000 1.476 71 D CA 1.389 55.569 54.000 0.300 0.000 1.488 71 D CB 2.465 43.350 40.800 0.143 0.000 1.426 71 D HN 0.167 8.636 8.370 0.165 0.000 0.295 72 N N 0.739 119.534 118.700 0.159 0.000 2.420 72 N HA 0.264 5.222 4.740 0.155 -0.126 0.249 72 N C 1.932 177.441 175.510 -0.002 0.000 1.033 72 N CA -1.026 52.086 53.050 0.104 0.000 0.944 72 N CB 0.587 39.116 38.487 0.069 0.000 1.113 72 N HN -0.549 7.903 8.380 0.120 0.000 0.502 73 I N 0.337 120.825 120.570 -0.136 0.000 3.176 73 I HA -0.080 4.068 4.170 -0.289 -0.152 0.275 73 I C -0.318 175.716 176.117 -0.139 0.000 1.298 73 I CA 1.448 62.571 61.300 -0.296 0.000 1.445 73 I CB -0.597 37.014 38.000 -0.650 0.000 1.075 73 I HN 0.549 8.699 8.210 -0.100 0.000 0.482 74 N N -2.109 116.556 118.700 -0.058 0.000 2.236 74 N HA 0.136 4.859 4.740 -0.030 0.000 0.196 74 N C -0.710 174.806 175.510 0.009 0.000 1.114 74 N CA 0.674 53.713 53.050 -0.019 0.000 0.859 74 N CB 1.648 40.135 38.487 -0.000 0.000 0.982 74 N HN -0.099 8.527 8.380 -0.036 -0.267 0.493 75 V N 0.061 119.986 119.914 0.018 0.000 2.709 75 V HA 0.046 4.184 4.120 0.031 0.000 0.308 75 V C -1.423 174.696 176.094 0.041 0.000 1.062 75 V CA -1.141 61.178 62.300 0.031 0.000 0.901 75 V CB 3.272 35.112 31.823 0.027 0.000 1.003 75 V HN -0.854 7.376 8.190 0.010 -0.035 0.425 76 V N 6.829 126.765 119.914 0.037 0.000 2.432 76 V HA -0.155 4.174 4.120 0.034 -0.188 0.271 76 V C -0.027 176.068 176.094 0.001 0.000 1.046 76 V CA 0.547 62.858 62.300 0.017 0.000 0.945 76 V CB 0.210 32.024 31.823 -0.016 0.000 0.992 76 V HN 0.243 8.452 8.190 0.032 0.000 0.471 77 E N 7.449 127.649 120.200 0.000 0.000 2.572 77 E HA 0.170 4.520 4.350 0.001 0.000 0.220 77 E C -0.420 176.174 176.600 -0.010 0.000 0.945 77 E CA -0.526 55.875 56.400 0.002 0.000 1.070 77 E CB 1.140 30.851 29.700 0.018 0.000 1.090 77 E HN 0.419 9.280 8.360 0.002 -0.500 0.506 78 G N 0.190 108.975 108.800 -0.026 0.000 2.576 78 G HA2 -0.219 3.706 3.960 -0.057 0.000 0.686 78 G HA3 -0.219 3.726 3.960 -0.024 0.000 0.686 78 G C -1.747 173.138 174.900 -0.026 0.000 1.242 78 G CA -0.667 44.412 45.100 -0.035 0.000 0.819 78 G HN -0.449 8.215 8.290 -0.033 -0.394 0.655 79 N N -3.971 114.708 118.700 -0.035 0.000 2.980 79 N HA -0.288 4.439 4.740 -0.021 0.000 0.219 79 N C -0.997 174.499 175.510 -0.023 0.000 0.883 79 N CA 1.340 54.378 53.050 -0.019 0.000 1.018 79 N CB -0.225 38.265 38.487 0.005 0.000 1.041 79 N HN 0.160 8.511 8.380 -0.048 0.000 0.592 80 E N -1.360 118.805 120.200 -0.058 0.000 2.366 80 E HA 0.279 4.875 4.350 0.030 -0.228 0.266 80 E C -0.005 176.514 176.600 -0.136 0.000 1.051 80 E CA 0.332 56.694 56.400 -0.063 0.000 0.884 80 E CB 0.656 30.279 29.700 -0.129 0.000 1.006 80 E HN -0.215 8.004 8.360 -0.077 0.095 0.417 81 Q N 2.577 122.367 119.800 -0.017 0.000 2.274 81 Q HA 0.321 4.595 4.340 -0.110 0.000 0.268 81 Q C -1.687 174.446 176.000 0.221 0.000 1.015 81 Q CA -1.172 54.629 55.803 -0.003 0.000 0.775 81 Q CB 3.671 32.424 28.738 0.026 0.000 1.256 81 Q HN 0.380 8.712 8.270 0.103 0.000 0.442 82 F N 3.725 123.656 119.950 -0.033 0.000 2.402 82 F HA 0.385 5.064 4.527 -0.048 -0.181 0.355 82 F C -0.093 175.684 175.800 -0.039 0.000 1.123 82 F CA -3.130 54.845 58.000 -0.042 0.000 1.021 82 F CB 0.425 39.399 39.000 -0.044 0.000 1.160 82 F HN 0.321 8.636 8.300 0.024 0.000 0.451 83 I N 3.993 124.638 120.570 0.126 0.000 2.582 83 I HA 0.253 4.452 4.170 0.047 0.000 0.292 83 I C -1.353 174.765 176.117 0.002 0.000 1.066 83 I CA -1.396 59.931 61.300 0.045 0.000 1.053 83 I CB 4.057 42.068 38.000 0.019 0.000 1.241 83 I HN 0.800 9.071 8.210 0.103 0.000 0.421 84 S N 4.973 120.665 115.700 -0.013 0.000 2.617 84 S HA 0.134 4.578 4.470 -0.044 0.000 0.269 84 S C -0.647 173.920 174.600 -0.056 0.000 1.292 84 S CA 0.486 58.664 58.200 -0.037 0.000 1.010 84 S CB 1.196 64.377 63.200 -0.033 0.000 0.944 84 S HN 0.398 8.705 8.310 -0.006 0.000 0.536 85 A N 2.665 125.448 122.820 -0.062 0.000 2.363 85 A HA 0.256 4.623 4.320 -0.098 -0.106 0.270 85 A C -0.207 177.330 177.584 -0.079 0.000 1.121 85 A CA -0.497 51.494 52.037 -0.077 0.000 0.800 85 A CB 0.721 19.686 19.000 -0.059 0.000 1.052 85 A HN -0.199 7.916 8.150 -0.058 0.000 0.493 86 S N 3.549 119.182 115.700 -0.113 0.000 2.387 86 S HA 0.017 4.444 4.470 -0.070 0.000 0.221 86 S C 0.401 174.960 174.600 -0.068 0.000 1.041 86 S CA 1.611 59.752 58.200 -0.097 0.000 0.959 86 S CB 0.780 63.895 63.200 -0.140 0.000 0.843 86 S HN 0.711 8.812 8.310 -0.160 0.113 0.488 87 K N -0.533 119.819 120.400 -0.081 0.000 2.556 87 K HA 0.307 4.646 4.320 0.032 0.000 0.274 87 K C -2.559 174.065 176.600 0.041 0.000 0.966 87 K CA -0.830 55.457 56.287 -0.000 0.000 0.865 87 K CB 2.751 35.259 32.500 0.014 0.000 1.444 87 K HN -0.790 7.373 8.250 -0.146 0.000 0.433 88 S N 0.975 116.758 115.700 0.139 0.000 2.532 88 S HA 0.730 5.482 4.470 0.175 -0.177 0.299 88 S C -0.852 173.876 174.600 0.213 0.000 1.105 88 S CA -0.474 57.852 58.200 0.210 0.000 1.018 88 S CB 2.561 65.963 63.200 0.336 0.000 1.021 88 S HN 0.166 8.572 8.310 0.161 0.000 0.483 89 I N 7.513 128.217 120.570 0.224 0.000 2.405 89 I HA 0.113 4.374 4.170 0.152 0.000 0.280 89 I C -1.558 174.703 176.117 0.240 0.000 1.027 89 I CA -0.829 60.599 61.300 0.212 0.000 1.161 89 I CB 1.349 39.488 38.000 0.232 0.000 1.300 89 I HN 1.037 9.290 8.210 0.252 0.109 0.463 90 V N 7.787 127.774 119.914 0.123 0.000 2.649 90 V HA -0.127 4.040 4.120 0.078 0.000 0.292 90 V C -0.257 175.916 176.094 0.132 0.000 1.055 90 V CA -0.690 61.649 62.300 0.065 0.000 1.023 90 V CB 0.962 32.730 31.823 -0.092 0.000 0.992 90 V HN 0.357 8.574 8.190 0.044 0.000 0.480 91 H N 8.631 127.677 119.070 -0.041 0.000 3.094 91 H HA -0.045 4.318 4.556 -0.323 0.000 0.320 91 H C -0.411 174.883 175.328 -0.057 0.000 1.000 91 H CA 0.574 56.469 56.048 -0.255 0.000 1.413 91 H CB 1.551 31.008 29.762 -0.509 0.000 1.405 91 H HN -0.211 8.106 8.280 0.062 0.000 0.586 92 P HA -0.116 4.310 4.420 0.009 0.000 0.219 92 P C -0.412 176.930 177.300 0.070 0.000 1.146 92 P CA 1.503 64.572 63.100 -0.052 0.000 0.808 92 P CB 0.320 31.967 31.700 -0.088 0.000 0.779 93 S N -3.773 112.069 115.700 0.237 0.000 2.582 93 S HA 0.028 4.556 4.470 0.097 0.000 0.234 93 S C -0.567 174.133 174.600 0.166 0.000 0.961 93 S CA 0.004 58.325 58.200 0.201 0.000 0.953 93 S CB 0.406 63.724 63.200 0.197 0.000 0.800 93 S HN -0.445 8.084 8.310 0.419 0.033 0.471 94 Y N 3.669 124.015 120.300 0.076 0.000 2.526 94 Y HA -0.273 4.462 4.550 -0.041 -0.209 0.330 94 Y C -0.880 175.012 175.900 -0.013 0.000 1.156 94 Y CA 0.712 58.812 58.100 -0.000 0.000 1.419 94 Y CB 0.857 39.321 38.460 0.007 0.000 1.250 94 Y HN -0.816 7.574 8.280 0.323 0.084 0.540 95 N N 7.273 125.607 118.700 -0.610 0.000 2.479 95 N HA 0.217 4.686 4.740 -0.453 0.000 0.261 95 N C -0.202 174.801 175.510 -0.845 0.000 0.979 95 N CA -1.312 51.406 53.050 -0.553 0.000 0.930 95 N CB 1.869 40.191 38.487 -0.276 0.000 1.172 95 N HN -0.255 7.864 8.380 -0.436 0.000 0.499 96 S N 6.655 121.866 115.700 -0.815 0.000 2.507 96 S HA -0.087 3.995 4.470 -0.646 0.000 0.235 96 S C 0.734 175.152 174.600 -0.302 0.000 0.988 96 S CA 2.371 60.245 58.200 -0.543 0.000 0.944 96 S CB -0.191 62.860 63.200 -0.248 0.000 0.762 96 S HN 0.627 8.559 8.310 -0.631 0.000 0.526 97 N N 1.708 120.237 118.700 -0.284 0.000 2.368 97 N HA 0.010 4.626 4.740 -0.205 0.000 0.176 97 N C 0.840 176.191 175.510 -0.265 0.000 1.021 97 N CA 2.152 55.067 53.050 -0.226 0.000 0.888 97 N CB 0.562 38.945 38.487 -0.174 0.000 0.995 97 N HN 0.372 8.792 8.380 -0.309 -0.226 0.437 98 T N -4.263 110.129 114.554 -0.270 0.000 2.990 98 T HA 0.082 4.237 4.350 -0.324 0.000 0.249 98 T C 0.086 174.596 174.700 -0.316 0.000 1.039 98 T CA 0.305 62.239 62.100 -0.277 0.000 1.036 98 T CB 1.907 70.669 68.868 -0.176 0.000 0.994 98 T HN -0.492 7.816 8.240 -0.272 -0.231 0.489 99 L N -3.476 117.599 121.223 -0.247 0.000 4.140 99 L HA -0.491 3.954 4.340 0.039 -0.082 0.406 99 L C -1.940 174.964 176.870 0.058 0.000 1.175 99 L CA 0.310 55.109 54.840 -0.069 0.000 0.939 99 L CB -2.611 39.351 42.059 -0.162 0.000 2.105 99 L HN -0.238 7.823 8.230 -0.282 0.000 0.803 100 N N -0.846 117.846 118.700 -0.013 0.000 2.520 100 N HA -0.134 4.658 4.740 0.086 0.000 0.273 100 N C -0.018 175.537 175.510 0.075 0.000 1.155 100 N CA 0.622 53.696 53.050 0.040 0.000 0.967 100 N CB 1.220 39.703 38.487 -0.006 0.000 1.092 100 N HN -0.713 7.563 8.380 -0.106 0.041 0.457 101 N N -0.806 117.930 118.700 0.060 0.000 2.783 101 N HA -0.463 4.180 4.740 -0.161 0.000 0.247 101 N C -1.471 174.010 175.510 -0.047 0.000 1.089 101 N CA 1.359 54.343 53.050 -0.111 0.000 0.690 101 N CB -1.480 36.846 38.487 -0.268 0.000 0.991 101 N HN 0.635 9.074 8.380 0.099 0.000 0.552 102 D N -0.951 119.462 120.400 0.022 0.000 2.608 102 D HA 0.066 4.684 4.640 -0.036 0.000 0.224 102 D C -1.714 174.489 176.300 -0.162 0.000 1.123 102 D CA -0.431 53.574 54.000 0.009 0.000 1.030 102 D CB -0.775 40.133 40.800 0.179 0.000 1.093 102 D HN -0.128 8.270 8.370 0.047 0.000 0.497 103 I N 1.886 122.299 120.570 -0.262 0.000 2.802 103 I HA 0.637 4.894 4.170 -0.136 -0.169 0.298 103 I C -3.056 173.020 176.117 -0.069 0.000 1.176 103 I CA -1.609 59.566 61.300 -0.208 0.000 1.025 103 I CB 4.174 41.919 38.000 -0.425 0.000 1.243 103 I HN -0.087 7.914 8.210 -0.274 0.045 0.424 104 M N 6.125 125.754 119.600 0.049 0.000 2.470 104 M HA 0.690 5.478 4.480 0.240 -0.165 0.285 104 M C -2.745 173.683 176.300 0.214 0.000 1.213 104 M CA -1.057 54.336 55.300 0.155 0.000 0.901 104 M CB 4.845 37.490 32.600 0.074 0.000 1.718 104 M HN 0.517 8.829 8.290 0.037 0.000 0.469 105 L N 3.058 124.445 121.223 0.274 0.000 2.334 105 L HA 0.849 5.516 4.340 0.259 -0.171 0.276 105 L C -1.289 175.771 176.870 0.317 0.000 1.014 105 L CA -1.463 53.553 54.840 0.294 0.000 0.815 105 L CB 3.104 45.313 42.059 0.251 0.000 1.268 105 L HN 0.495 8.911 8.230 0.309 0.000 0.428 106 I N 0.879 121.618 120.570 0.282 0.000 2.465 106 I HA 0.598 5.000 4.170 0.098 -0.174 0.291 106 I C -1.638 174.436 176.117 -0.071 0.000 1.014 106 I CA -1.447 59.916 61.300 0.105 0.000 1.093 106 I CB 3.384 41.416 38.000 0.053 0.000 1.267 106 I HN 0.820 9.218 8.210 0.313 0.000 0.431 107 K N 6.057 126.219 120.400 -0.395 0.000 2.159 107 K HA 0.691 4.368 4.320 -1.341 -0.162 0.266 107 K C -1.134 175.184 176.600 -0.470 0.000 0.975 107 K CA -2.003 53.702 56.287 -0.971 0.000 0.865 107 K CB 3.172 34.932 32.500 -1.233 0.000 1.087 107 K HN 0.634 8.736 8.250 -0.246 0.000 0.446 108 L N 4.167 125.143 121.223 -0.412 0.000 2.399 108 L HA 0.236 4.581 4.340 -0.164 -0.103 0.266 108 L C 1.794 178.548 176.870 -0.193 0.000 1.114 108 L CA -0.261 54.450 54.840 -0.215 0.000 0.804 108 L CB 0.556 42.531 42.059 -0.141 0.000 1.146 108 L HN 0.739 8.543 8.230 -0.534 0.105 0.451 109 K N 3.094 123.420 120.400 -0.123 0.000 2.103 109 K HA -0.328 3.929 4.320 -0.106 0.000 0.207 109 K C -0.557 175.994 176.600 -0.082 0.000 1.048 109 K CA 2.674 58.905 56.287 -0.093 0.000 0.930 109 K CB 0.374 32.838 32.500 -0.059 0.000 0.716 109 K HN 0.739 8.928 8.250 -0.100 0.000 0.444 110 S N -3.551 112.107 115.700 -0.070 0.000 2.627 110 S HA 0.084 4.521 4.470 -0.054 0.000 0.283 110 S C -1.981 172.590 174.600 -0.049 0.000 1.127 110 S CA -0.987 57.182 58.200 -0.051 0.000 0.863 110 S CB 2.821 66.003 63.200 -0.030 0.000 1.121 110 S HN -0.431 7.838 8.310 -0.066 0.002 0.479 111 A N -0.166 122.635 122.820 -0.033 0.000 2.407 111 A HA 0.033 4.511 4.320 -0.027 -0.174 0.248 111 A C -0.413 177.169 177.584 -0.004 0.000 1.082 111 A CA 0.074 52.101 52.037 -0.017 0.000 0.785 111 A CB 0.771 19.771 19.000 -0.001 0.000 1.020 111 A HN 0.107 8.240 8.150 -0.027 0.000 0.489 112 A N 0.945 123.770 122.820 0.008 0.000 2.287 112 A HA 0.209 4.613 4.320 0.012 -0.076 0.273 112 A C -0.502 177.093 177.584 0.019 0.000 1.091 112 A CA -1.304 50.744 52.037 0.017 0.000 0.817 112 A CB 1.426 20.445 19.000 0.031 0.000 1.069 112 A HN 0.305 8.353 8.150 0.012 0.109 0.492 113 S N -0.246 115.464 115.700 0.017 0.000 2.422 113 S HA 0.135 4.615 4.470 0.016 0.000 0.298 113 S C -0.578 174.036 174.600 0.023 0.000 1.118 113 S CA -0.675 57.534 58.200 0.015 0.000 1.083 113 S CB 0.541 63.745 63.200 0.006 0.000 0.971 113 S HN 0.079 8.769 8.310 0.015 -0.371 0.478 114 L N 5.972 127.212 121.223 0.028 0.000 2.375 114 L HA 0.251 4.739 4.340 0.040 -0.124 0.271 114 L C -0.463 176.424 176.870 0.029 0.000 1.107 114 L CA -0.248 54.614 54.840 0.036 0.000 0.806 114 L CB 0.605 42.690 42.059 0.043 0.000 1.146 114 L HN 0.220 8.466 8.230 0.027 0.000 0.447 115 N N 2.913 121.632 118.700 0.031 0.000 3.667 115 N HA 0.163 4.917 4.740 0.024 0.000 0.347 115 N C -1.376 174.152 175.510 0.030 0.000 1.550 115 N CA -0.522 52.544 53.050 0.026 0.000 0.731 115 N CB 0.605 39.102 38.487 0.018 0.000 2.741 115 N HN 0.413 8.706 8.380 0.037 0.109 0.555 116 S N -3.296 112.420 115.700 0.026 0.000 2.501 116 S HA -0.051 4.440 4.470 0.035 0.000 0.220 116 S C 0.637 175.254 174.600 0.028 0.000 0.997 116 S CA 1.791 60.008 58.200 0.028 0.000 0.919 116 S CB 0.276 63.489 63.200 0.023 0.000 0.778 116 S HN 0.014 8.337 8.310 0.021 0.000 0.523 117 R N -1.065 119.450 120.500 0.024 0.000 2.254 117 R HA 0.172 4.521 4.340 0.015 0.000 0.195 117 R C -1.175 175.141 176.300 0.026 0.000 0.957 117 R CA -0.096 56.016 56.100 0.021 0.000 1.024 117 R CB 1.061 31.372 30.300 0.018 0.000 0.952 117 R HN 0.009 8.592 8.270 0.023 -0.299 0.484 118 V N -1.524 118.412 119.914 0.036 0.000 2.447 118 V HA 0.324 4.675 4.120 0.050 -0.201 0.292 118 V C -2.198 173.934 176.094 0.064 0.000 1.021 118 V CA -0.948 61.382 62.300 0.050 0.000 0.850 118 V CB 2.612 34.463 31.823 0.046 0.000 1.005 118 V HN -0.616 7.770 8.190 0.035 -0.175 0.426 119 A N 6.459 129.333 122.820 0.091 0.000 2.587 119 A HA 0.484 4.855 4.320 0.085 0.000 0.293 119 A C -2.770 174.905 177.584 0.151 0.000 1.087 119 A CA -1.065 51.036 52.037 0.108 0.000 0.692 119 A CB 3.423 22.488 19.000 0.109 0.000 1.291 119 A HN 0.479 8.570 8.150 0.098 0.118 0.407 120 S N -1.565 114.208 115.700 0.122 0.000 2.669 120 S HA 0.585 5.310 4.470 0.157 -0.161 0.270 120 S C -0.505 174.148 174.600 0.088 0.000 1.225 120 S CA -1.120 57.152 58.200 0.121 0.000 0.991 120 S CB 1.531 64.781 63.200 0.084 0.000 0.987 120 S HN 0.004 8.371 8.310 0.095 0.000 0.552 121 I N 0.409 120.987 120.570 0.013 0.000 2.693 121 I HA 0.235 4.331 4.170 -0.123 0.000 0.303 121 I C -1.178 174.888 176.117 -0.085 0.000 1.025 121 I CA -1.544 59.666 61.300 -0.150 0.000 1.086 121 I CB 4.041 41.737 38.000 -0.507 0.000 1.268 121 I HN -0.003 8.228 8.210 0.036 0.000 0.440 122 S N 5.577 121.224 115.700 -0.088 0.000 2.610 122 S HA 0.265 4.719 4.470 -0.027 0.000 0.273 122 S C -0.663 173.909 174.600 -0.047 0.000 1.274 122 S CA -0.513 57.659 58.200 -0.048 0.000 1.023 122 S CB 0.900 64.078 63.200 -0.037 0.000 0.962 122 S HN 0.254 8.497 8.310 -0.111 0.000 0.523 123 L N 2.170 123.381 121.223 -0.021 0.000 2.439 123 L HA 0.185 4.526 4.340 0.001 0.000 0.261 123 L C -1.280 175.587 176.870 -0.005 0.000 1.153 123 L CA -1.955 52.884 54.840 -0.002 0.000 0.808 123 L CB 0.180 42.247 42.059 0.013 0.000 1.126 123 L HN 0.238 8.459 8.230 -0.016 0.000 0.460 124 P HA 0.150 4.560 4.420 -0.016 0.000 0.278 124 P C -1.248 176.052 177.300 0.000 0.000 1.258 124 P CA -0.822 62.275 63.100 -0.005 0.000 0.811 124 P CB 0.921 32.618 31.700 -0.005 0.000 1.063 128 c N 0.534 119.109 118.600 -0.041 0.000 2.580 128 c HA 0.055 4.590 4.570 -0.058 0.000 0.371 128 c C 0.078 174.110 174.090 -0.097 0.000 1.308 128 c CA -0.597 55.693 56.329 -0.064 0.000 2.428 128 c CB 0.372 42.849 42.510 -0.055 0.000 2.529 128 c HN -0.030 8.179 8.230 -0.035 0.000 0.657 129 A N 0.462 123.187 122.820 -0.159 0.000 2.269 129 A HA 0.095 4.340 4.320 -0.125 0.000 0.319 129 A C -1.160 176.317 177.584 -0.178 0.000 1.110 129 A CA -0.425 51.507 52.037 -0.175 0.000 0.847 129 A CB 1.433 20.289 19.000 -0.240 0.000 1.161 129 A HN 0.234 8.262 8.150 -0.202 0.000 0.497 133 G N 0.048 108.805 108.800 -0.073 0.000 2.320 133 G HA2 -0.304 3.621 3.960 -0.058 0.000 0.242 133 G HA3 -0.304 3.626 3.960 -0.050 0.000 0.242 133 G C 0.007 174.866 174.900 -0.068 0.000 1.033 133 G CA 0.389 45.452 45.100 -0.061 0.000 0.620 133 G HN 0.663 8.808 8.290 -0.076 0.099 0.517 134 T N 3.640 118.141 114.554 -0.088 0.000 2.902 134 T HA -0.213 4.097 4.350 -0.067 0.000 0.301 134 T C -1.102 173.549 174.700 -0.082 0.000 1.012 134 T CA 2.425 64.472 62.100 -0.087 0.000 1.151 134 T CB 0.625 69.421 68.868 -0.119 0.000 0.946 134 T HN -0.493 7.590 8.240 -0.102 0.096 0.542 135 Q N 5.969 125.736 119.800 -0.054 0.000 2.256 135 Q HA 0.176 4.605 4.340 -0.042 -0.115 0.254 135 Q C -0.921 175.060 176.000 -0.031 0.000 0.916 135 Q CA 0.211 55.994 55.803 -0.033 0.000 0.932 135 Q CB 1.314 30.050 28.738 -0.004 0.000 1.207 135 Q HN 0.192 8.435 8.270 -0.045 0.000 0.426 136 c N 3.698 122.281 118.600 -0.028 0.000 2.971 136 c HA 0.555 5.220 4.570 -0.016 -0.104 0.310 136 c C -1.898 172.198 174.090 0.011 0.000 1.285 136 c CA -1.584 54.732 56.329 -0.022 0.000 1.593 136 c CB 4.220 46.695 42.510 -0.057 0.000 2.076 136 c HN 0.916 9.015 8.230 -0.029 0.113 0.472 137 L N 0.893 122.132 121.223 0.025 0.000 2.313 137 L HA 0.936 5.506 4.340 0.055 -0.197 0.283 137 L C -2.175 174.713 176.870 0.030 0.000 1.013 137 L CA -1.445 53.424 54.840 0.048 0.000 0.816 137 L CB 3.137 45.244 42.059 0.081 0.000 1.236 137 L HN 0.775 8.905 8.230 0.020 0.112 0.419 138 I N 7.227 127.801 120.570 0.007 0.000 2.474 138 I HA 0.900 5.331 4.170 0.026 -0.246 0.294 138 I C -1.322 174.767 176.117 -0.046 0.000 1.005 138 I CA -1.598 59.704 61.300 0.004 0.000 1.113 138 I CB 2.650 40.660 38.000 0.016 0.000 1.289 138 I HN 1.001 9.216 8.210 0.008 0.000 0.436 139 S N 2.420 118.084 115.700 -0.060 0.000 2.618 139 S HA 1.036 5.534 4.470 -0.224 -0.163 0.277 139 S C -1.138 173.343 174.600 -0.198 0.000 1.138 139 S CA -1.842 56.246 58.200 -0.188 0.000 0.844 139 S CB 3.719 66.769 63.200 -0.250 0.000 1.127 139 S HN -0.211 8.095 8.310 -0.007 0.000 0.474 140 G N -1.246 107.343 108.800 -0.351 0.000 2.316 140 G HA2 0.151 3.874 3.960 -0.395 0.000 0.296 140 G HA3 0.151 4.236 3.960 -0.061 -0.162 0.296 140 G C -2.421 172.259 174.900 -0.366 0.000 1.399 140 G CA 0.572 45.493 45.100 -0.298 0.000 0.833 140 G HN 0.327 8.350 8.290 -0.445 0.000 0.565 141 W N 0.927 122.186 121.300 -0.068 0.000 2.862 141 W HA 0.385 5.004 4.660 -0.069 0.000 0.426 141 W C -0.310 176.268 176.519 0.099 0.000 0.950 141 W CA -1.065 56.214 57.345 -0.110 0.000 2.150 141 W CB 0.231 29.410 29.460 -0.469 0.000 1.161 141 W HN 0.584 8.917 8.180 0.254 0.000 0.696 142 G N 0.654 109.636 108.800 0.303 0.000 2.588 142 G HA2 -0.001 4.315 3.960 0.580 0.000 0.281 142 G HA3 -0.001 4.303 3.960 0.289 -0.170 0.281 142 G C -0.993 174.021 174.900 0.191 0.000 1.236 142 G CA -0.887 44.432 45.100 0.365 0.000 0.969 142 G HN -0.529 8.010 8.290 0.182 -0.140 0.504 143 N N -0.403 118.315 118.700 0.030 0.000 2.294 143 N HA -0.331 4.067 4.740 -0.857 -0.171 0.248 143 N C 0.833 176.241 175.510 -0.170 0.000 1.242 143 N CA 1.197 54.002 53.050 -0.407 0.000 0.848 143 N CB 0.644 38.888 38.487 -0.405 0.000 1.084 143 N HN 0.179 8.703 8.380 0.240 0.000 0.457 144 T N 0.057 114.502 114.554 -0.182 0.000 3.044 144 T HA 0.217 4.648 4.350 -0.057 -0.115 0.260 144 T C 0.120 174.776 174.700 -0.073 0.000 1.019 144 T CA 0.262 62.310 62.100 -0.086 0.000 0.921 144 T CB 1.373 70.206 68.868 -0.059 0.000 1.053 144 T HN 0.384 8.464 8.240 -0.268 0.000 0.533 145 K N 2.100 122.440 120.400 -0.099 0.000 2.259 145 K HA 0.258 4.554 4.320 -0.040 0.000 0.249 145 K C -0.628 175.946 176.600 -0.042 0.000 0.942 145 K CA -1.138 55.113 56.287 -0.060 0.000 0.816 145 K CB 2.580 35.041 32.500 -0.064 0.000 1.155 145 K HN -0.534 7.877 8.250 -0.157 -0.255 0.428 146 S N -0.336 115.354 115.700 -0.017 0.000 2.486 146 S HA -0.030 4.443 4.470 0.006 0.000 0.220 146 S C -0.242 174.361 174.600 0.005 0.000 1.011 146 S CA 1.407 59.608 58.200 0.002 0.000 0.921 146 S CB 1.126 64.333 63.200 0.012 0.000 0.785 146 S HN 0.052 8.353 8.310 -0.014 0.000 0.517 147 S N 1.536 117.236 115.700 -0.001 0.000 2.399 147 S HA 0.201 4.678 4.470 0.011 0.000 0.215 147 S C -0.924 173.675 174.600 -0.003 0.000 1.456 147 S CA -0.101 58.101 58.200 0.004 0.000 1.199 147 S CB -0.095 63.109 63.200 0.006 0.000 1.063 147 S HN -0.524 7.747 8.310 -0.008 0.034 0.476 148 G N 1.520 110.319 108.800 -0.003 0.000 2.392 148 G HA2 -0.207 3.760 3.960 0.012 0.000 0.677 148 G HA3 -0.207 3.749 3.960 -0.006 0.000 0.677 148 G C -2.641 172.239 174.900 -0.034 0.000 1.334 148 G CA -0.785 44.312 45.100 -0.005 0.000 0.961 148 G HN -0.274 8.018 8.290 0.003 0.000 0.616 149 T N -3.128 111.412 114.554 -0.023 0.000 2.772 149 T HA 0.098 4.442 4.350 -0.243 -0.140 0.288 149 T C -1.303 173.321 174.700 -0.126 0.000 0.994 149 T CA -1.217 60.827 62.100 -0.094 0.000 0.951 149 T CB 1.331 70.279 68.868 0.134 0.000 0.933 149 T HN -0.146 8.101 8.240 0.013 0.000 0.447 150 S N 4.948 120.454 115.700 -0.323 0.000 2.775 150 S HA 0.230 4.697 4.470 -0.005 0.000 0.277 150 S C -2.126 172.305 174.600 -0.283 0.000 1.156 150 S CA -0.591 57.520 58.200 -0.148 0.000 1.081 150 S CB 1.120 64.270 63.200 -0.084 0.000 1.054 150 S HN 0.701 9.103 8.310 -0.536 -0.414 0.482 151 Y N 5.586 125.928 120.300 0.070 0.000 2.361 151 Y HA 0.240 4.849 4.550 0.099 0.000 0.332 151 Y C -0.886 175.066 175.900 0.086 0.000 1.101 151 Y CA -2.706 55.450 58.100 0.093 0.000 1.137 151 Y CB 1.127 39.654 38.460 0.113 0.000 1.207 151 Y HN 0.108 8.550 8.280 0.271 0.000 0.463 152 P HA 0.398 4.896 4.420 0.130 0.000 0.281 152 P C -1.614 175.812 177.300 0.211 0.000 1.281 152 P CA -0.946 62.257 63.100 0.171 0.000 0.811 152 P CB 2.187 33.960 31.700 0.121 0.000 1.154 153 D N -2.417 118.084 120.400 0.168 0.000 2.323 153 D HA -0.085 4.623 4.640 0.114 0.000 0.218 153 D C -1.223 175.224 176.300 0.245 0.000 0.973 153 D CA 1.434 55.523 54.000 0.148 0.000 0.890 153 D CB 0.972 41.829 40.800 0.096 0.000 1.011 153 D HN 0.385 8.835 8.370 0.134 0.000 0.499 154 V N -7.738 112.314 119.914 0.229 0.000 2.966 154 V HA 0.720 5.370 4.120 0.389 -0.297 0.317 154 V C -0.642 175.506 176.094 0.089 0.000 1.070 154 V CA -2.780 59.665 62.300 0.242 0.000 1.008 154 V CB 2.032 33.919 31.823 0.107 0.000 1.070 154 V HN -0.891 7.394 8.190 0.158 0.000 0.457 155 L N 2.092 123.242 121.223 -0.121 0.000 2.513 155 L HA -0.077 3.462 4.340 -1.335 0.000 0.272 155 L C -0.262 176.353 176.870 -0.425 0.000 1.187 155 L CA 0.871 55.291 54.840 -0.700 0.000 0.895 155 L CB 0.410 42.041 42.059 -0.714 0.000 1.147 155 L HN 0.050 8.485 8.230 0.084 -0.154 0.483 156 K N 5.993 126.118 120.400 -0.458 0.000 2.156 156 K HA 0.695 4.982 4.320 -0.326 -0.162 0.250 156 K C -1.136 175.211 176.600 -0.422 0.000 0.955 156 K CA -2.532 53.545 56.287 -0.349 0.000 0.855 156 K CB 2.441 34.802 32.500 -0.231 0.000 1.101 156 K HN -0.035 7.867 8.250 -0.580 0.000 0.434 157 c N -0.539 117.717 118.600 -0.574 0.000 2.707 157 c HA 0.977 5.488 4.570 -0.390 -0.175 0.313 157 c C -1.770 171.960 174.090 -0.600 0.000 1.209 157 c CA -0.790 55.156 56.329 -0.639 0.000 1.635 157 c CB 3.646 45.622 42.510 -0.889 0.000 2.206 157 c HN 0.740 8.564 8.230 -0.677 0.000 0.485 158 L N -0.026 121.049 121.223 -0.247 0.000 2.513 158 L HA 0.364 4.754 4.340 0.083 0.000 0.261 158 L C -2.557 174.379 176.870 0.110 0.000 0.945 158 L CA 0.281 55.123 54.840 0.004 0.000 0.848 158 L CB 4.467 46.548 42.059 0.036 0.000 1.334 158 L HN 0.799 8.919 8.230 -0.183 0.000 0.407 159 K N 5.660 126.187 120.400 0.212 0.000 2.213 159 K HA 0.871 5.488 4.320 0.128 -0.220 0.270 159 K C -0.969 175.765 176.600 0.224 0.000 1.002 159 K CA -1.417 54.980 56.287 0.183 0.000 0.868 159 K CB 1.130 33.744 32.500 0.189 0.000 1.093 159 K HN 0.335 8.744 8.250 0.265 0.000 0.454 160 A N 4.329 127.216 122.820 0.113 0.000 2.515 160 A HA 0.680 5.015 4.320 0.025 0.000 0.298 160 A C -3.387 174.133 177.584 -0.107 0.000 1.059 160 A CA -2.784 49.254 52.037 0.002 0.000 0.698 160 A CB 3.171 22.174 19.000 0.004 0.000 1.289 160 A HN 0.969 9.153 8.150 0.056 0.000 0.404 161 P HA 0.783 5.359 4.420 -0.108 -0.221 0.287 161 P C -1.009 176.212 177.300 -0.131 0.000 1.270 161 P CA -1.555 61.453 63.100 -0.154 0.000 0.844 161 P CB 1.531 33.140 31.700 -0.152 0.000 1.068 162 I N 0.551 121.057 120.570 -0.107 0.000 2.496 162 I HA -0.064 4.241 4.170 0.031 -0.117 0.285 162 I C 0.031 176.118 176.117 -0.049 0.000 1.080 162 I CA 0.688 61.943 61.300 -0.074 0.000 1.404 162 I CB 0.175 38.040 38.000 -0.224 0.000 1.403 162 I HN 0.183 8.321 8.210 -0.120 0.000 0.539 163 L N 6.209 127.440 121.223 0.014 0.000 2.431 163 L HA 0.288 4.610 4.340 -0.029 0.000 0.260 163 L C -0.043 176.835 176.870 0.013 0.000 1.098 163 L CA -1.068 53.773 54.840 0.002 0.000 0.800 163 L CB 0.693 42.764 42.059 0.020 0.000 1.210 163 L HN 0.363 8.537 8.230 0.090 0.110 0.465 164 S N -1.812 113.891 115.700 0.006 0.000 2.603 164 S HA -0.054 4.416 4.470 -0.000 0.000 0.268 164 S C 0.442 175.061 174.600 0.032 0.000 1.317 164 S CA -0.983 57.222 58.200 0.009 0.000 1.012 164 S CB 1.884 65.085 63.200 0.001 0.000 0.926 164 S HN -0.081 8.228 8.310 -0.001 0.000 0.539 165 D N 1.537 121.958 120.400 0.034 0.000 2.144 165 D HA -0.242 4.442 4.640 0.073 0.000 0.199 165 D C 1.695 178.022 176.300 0.045 0.000 0.984 165 D CA 3.281 57.312 54.000 0.052 0.000 0.834 165 D CB -0.269 40.558 40.800 0.044 0.000 0.955 165 D HN 0.557 8.940 8.370 0.021 0.000 0.465 166 S N -1.297 114.421 115.700 0.030 0.000 2.368 166 S HA -0.294 4.194 4.470 0.029 0.000 0.224 166 S C 2.126 176.739 174.600 0.022 0.000 1.029 166 S CA 3.637 61.852 58.200 0.025 0.000 0.988 166 S CB -0.210 62.999 63.200 0.015 0.000 0.838 166 S HN 0.016 8.334 8.310 0.022 0.005 0.462 167 S N 3.348 119.059 115.700 0.018 0.000 2.383 167 S HA -0.223 4.246 4.470 -0.001 0.000 0.227 167 S C 1.881 176.491 174.600 0.016 0.000 1.026 167 S CA 3.811 62.016 58.200 0.008 0.000 0.981 167 S CB -0.173 63.029 63.200 0.003 0.000 0.818 167 S HN -0.510 7.811 8.310 0.018 0.000 0.472 168 c N 3.482 122.111 118.600 0.049 0.000 2.436 168 c HA -0.295 4.332 4.570 0.095 0.000 0.277 168 c C 1.596 175.755 174.090 0.114 0.000 1.241 168 c CA 2.671 59.057 56.329 0.095 0.000 1.721 168 c CB -1.649 40.931 42.510 0.117 0.000 2.043 168 c HN -0.110 8.138 8.230 0.050 0.012 0.472 169 K N -1.451 119.005 120.400 0.093 0.000 2.283 169 K HA -0.293 4.112 4.320 0.141 0.000 0.202 169 K C 2.246 178.884 176.600 0.063 0.000 1.048 169 K CA 2.895 59.240 56.287 0.097 0.000 0.948 169 K CB -0.291 32.254 32.500 0.075 0.000 0.742 169 K HN 0.183 8.480 8.250 0.078 0.000 0.458 170 S N -1.597 114.119 115.700 0.027 0.000 2.446 170 S HA -0.117 4.359 4.470 0.011 0.000 0.225 170 S C 1.085 175.657 174.600 -0.046 0.000 1.016 170 S CA 2.082 60.282 58.200 -0.001 0.000 0.943 170 S CB -0.051 63.144 63.200 -0.009 0.000 0.786 170 S HN -0.344 7.852 8.310 0.026 0.129 0.508 171 A N 0.106 122.868 122.820 -0.096 0.000 1.930 171 A HA -0.065 4.104 4.320 -0.253 0.000 0.215 171 A C -0.318 177.003 177.584 -0.438 0.000 1.176 171 A CA 1.862 53.714 52.037 -0.309 0.000 0.632 171 A CB 0.956 19.686 19.000 -0.450 0.000 0.819 171 A HN -0.597 7.389 8.150 -0.048 0.135 0.445 172 Y N -5.573 114.762 120.300 0.058 0.000 2.495 172 Y HA 0.485 5.107 4.550 0.120 0.000 0.362 172 Y C -2.458 173.503 175.900 0.102 0.000 0.956 172 Y CA -3.800 54.368 58.100 0.113 0.000 1.127 172 Y CB -0.311 38.257 38.460 0.180 0.000 1.173 172 Y HN -0.493 7.820 8.280 0.054 0.000 0.639 173 P HA -0.085 4.530 4.420 0.110 -0.129 0.264 173 P C 0.882 178.255 177.300 0.122 0.000 1.193 173 P CA 1.039 64.207 63.100 0.114 0.000 0.763 173 P CB 0.098 31.837 31.700 0.066 0.000 0.810 174 G N 4.164 113.026 108.800 0.103 0.000 2.184 174 G HA2 -0.372 3.626 3.960 0.064 0.000 0.264 174 G HA3 -0.372 3.625 3.960 0.061 0.000 0.264 174 G C 0.239 175.193 174.900 0.090 0.000 0.975 174 G CA 0.589 45.736 45.100 0.079 0.000 0.642 174 G HN 0.510 8.859 8.290 0.098 0.000 0.536 175 Q N -1.983 117.909 119.800 0.153 0.000 2.247 175 Q HA 0.077 4.456 4.340 0.065 0.000 0.211 175 Q C -0.558 175.580 176.000 0.230 0.000 0.861 175 Q CA -0.419 55.480 55.803 0.159 0.000 0.949 175 Q CB 1.270 30.134 28.738 0.210 0.000 1.115 175 Q HN -0.182 8.127 8.270 0.199 0.080 0.507 176 I N -0.009 120.686 120.570 0.208 0.000 2.336 176 I HA 0.044 4.360 4.170 0.243 0.000 0.292 176 I C -0.216 175.978 176.117 0.129 0.000 0.991 176 I CA -1.992 59.423 61.300 0.191 0.000 1.227 176 I CB -0.325 37.778 38.000 0.172 0.000 1.366 176 I HN -0.458 7.861 8.210 0.182 0.000 0.466 177 T N 2.102 116.728 114.554 0.121 0.000 2.922 177 T HA 0.359 4.750 4.350 0.067 0.000 0.281 177 T C 0.600 175.349 174.700 0.083 0.000 1.005 177 T CA -2.123 60.026 62.100 0.082 0.000 0.982 177 T CB 2.424 71.333 68.868 0.067 0.000 1.158 177 T HN -0.388 7.940 8.240 0.146 0.000 0.566 178 S N -2.304 113.430 115.700 0.058 0.000 2.603 178 S HA -0.157 4.353 4.470 0.066 0.000 0.229 178 S C -0.131 174.507 174.600 0.063 0.000 0.972 178 S CA 1.487 59.719 58.200 0.053 0.000 0.935 178 S CB -0.232 62.981 63.200 0.021 0.000 0.769 178 S HN 0.245 8.580 8.310 0.041 0.000 0.536 179 N N 0.321 119.072 118.700 0.085 0.000 2.238 179 N HA 0.145 4.946 4.740 0.102 0.000 0.222 179 N C -1.855 173.767 175.510 0.187 0.000 1.133 179 N CA -0.398 52.732 53.050 0.133 0.000 0.854 179 N CB 1.073 39.661 38.487 0.168 0.000 1.041 179 N HN -0.644 7.692 8.380 0.085 0.096 0.510 180 M N -1.090 118.606 119.600 0.160 0.000 2.619 180 M HA 0.911 5.660 4.480 0.063 -0.232 0.297 180 M C -2.427 173.983 176.300 0.183 0.000 1.229 180 M CA -0.452 54.915 55.300 0.111 0.000 0.860 180 M CB 5.201 37.848 32.600 0.077 0.000 1.741 180 M HN -0.727 7.563 8.290 0.145 0.086 0.462 181 F N -6.367 113.627 119.950 0.072 0.000 2.654 181 F HA 0.614 5.170 4.527 0.049 0.000 0.308 181 F C -2.648 173.204 175.800 0.086 0.000 1.108 181 F CA -1.526 56.513 58.000 0.066 0.000 0.957 181 F CB 2.386 41.421 39.000 0.059 0.000 1.309 181 F HN 0.038 8.193 8.300 -0.241 0.000 0.446 182 c N 0.332 119.117 118.600 0.309 0.000 2.366 182 c HA 1.001 5.849 4.570 0.120 -0.206 0.345 182 c C -0.951 173.343 174.090 0.340 0.000 1.209 182 c CA -0.870 55.590 56.329 0.218 0.000 2.050 182 c CB 2.556 45.150 42.510 0.140 0.000 2.359 182 c HN 0.871 9.296 8.230 0.324 0.000 0.527 183 A N 2.665 125.664 122.820 0.298 0.000 2.476 183 A HA 0.664 5.181 4.320 0.079 -0.151 0.280 183 A C -2.213 175.419 177.584 0.080 0.000 1.081 183 A CA -0.463 51.661 52.037 0.144 0.000 0.753 183 A CB 2.722 21.733 19.000 0.018 0.000 1.248 183 A HN 0.438 8.791 8.150 0.339 0.000 0.424 184 Y N 3.078 123.410 120.300 0.054 0.000 2.436 184 Y HA 0.022 4.591 4.550 0.031 0.000 0.343 184 Y C 1.038 176.954 175.900 0.026 0.000 1.008 184 Y CA -0.069 58.052 58.100 0.035 0.000 1.241 184 Y CB 0.124 38.603 38.460 0.032 0.000 1.153 184 Y HN 0.393 8.796 8.280 0.206 0.000 0.521 185 L N 4.089 125.378 121.223 0.109 0.000 2.353 185 L HA -0.341 4.024 4.340 0.042 0.000 0.220 185 L C 1.039 177.951 176.870 0.070 0.000 1.133 185 L CA 2.270 57.146 54.840 0.060 0.000 0.798 185 L CB -0.448 41.627 42.059 0.026 0.000 0.922 185 L HN 0.529 8.804 8.230 0.075 0.000 0.445 186 E N -2.318 117.945 120.200 0.105 0.000 2.427 186 E HA -0.090 4.288 4.350 0.047 0.000 0.196 186 E C 0.800 177.437 176.600 0.062 0.000 1.028 186 E CA 0.084 56.526 56.400 0.071 0.000 0.864 186 E CB -0.400 29.339 29.700 0.065 0.000 0.813 186 E HN 0.062 8.468 8.360 0.157 0.049 0.514 187 G N 0.940 109.795 108.800 0.092 0.000 3.405 187 G HA2 -0.382 3.652 3.960 0.090 0.000 0.676 187 G HA3 -0.382 3.634 3.960 0.048 -0.027 0.676 187 G C -0.787 174.139 174.900 0.044 0.000 1.039 187 G CA -0.177 44.966 45.100 0.071 0.000 0.855 187 G HN -0.422 7.776 8.290 0.139 0.176 0.443 188 K N 1.629 122.030 120.400 0.001 0.000 6.706 188 K HA -0.607 3.860 4.320 0.012 -0.140 0.669 188 K C -1.253 175.443 176.600 0.160 0.000 2.465 188 K CA 0.599 56.901 56.287 0.025 0.000 1.801 188 K CB -0.036 32.382 32.500 -0.136 0.000 1.883 188 K HN 0.219 8.493 8.250 0.041 0.000 0.285 189 D N 0.140 120.620 120.400 0.133 0.000 2.808 189 D HA 0.275 5.042 4.640 0.213 0.000 0.294 189 D C -1.957 174.416 176.300 0.122 0.000 1.278 189 D CA -0.553 53.542 54.000 0.157 0.000 0.756 189 D CB 4.244 45.119 40.800 0.126 0.000 1.271 189 D HN 0.153 8.576 8.370 0.088 0.000 0.425 190 S N -1.743 114.042 115.700 0.142 0.000 2.707 190 S HA 0.303 4.831 4.470 0.097 0.000 0.276 190 S C -1.395 173.254 174.600 0.083 0.000 1.179 190 S CA -0.528 57.744 58.200 0.121 0.000 0.992 190 S CB 1.748 65.057 63.200 0.181 0.000 1.030 190 S HN 0.271 8.683 8.310 0.171 0.000 0.554 191 c N -1.639 117.013 118.600 0.086 0.000 3.316 191 c HA 0.277 4.893 4.570 0.075 0.000 0.360 191 c C -1.521 172.651 174.090 0.136 0.000 1.560 191 c CA -0.700 55.681 56.329 0.087 0.000 1.229 191 c CB 3.069 45.611 42.510 0.055 0.000 1.823 191 c HN 0.366 8.971 8.230 0.100 -0.315 0.440 192 Q N 1.799 121.693 119.800 0.156 0.000 2.283 192 Q HA -0.395 4.074 4.340 0.215 0.000 0.301 192 Q C 0.947 177.136 176.000 0.314 0.000 1.063 192 Q CA 2.131 58.069 55.803 0.225 0.000 0.952 192 Q CB 0.517 29.392 28.738 0.228 0.000 1.166 192 Q HN 0.509 8.854 8.270 0.125 0.000 0.381 193 G N 6.554 115.536 108.800 0.303 0.000 2.259 193 G HA2 -0.426 3.698 3.960 0.273 0.000 0.217 193 G HA3 -0.426 3.835 3.960 0.501 0.000 0.217 193 G C 0.431 175.541 174.900 0.351 0.000 1.001 193 G CA 0.918 46.237 45.100 0.364 0.000 0.627 193 G HN 0.437 8.884 8.290 0.261 0.000 0.501 194 D N 2.294 122.847 120.400 0.255 0.000 2.346 194 D HA 0.116 4.888 4.640 0.221 0.000 0.206 194 D C 0.027 176.419 176.300 0.153 0.000 1.001 194 D CA 0.864 54.982 54.000 0.196 0.000 0.871 194 D CB 0.680 41.568 40.800 0.146 0.000 0.943 194 D HN 0.073 8.482 8.370 0.236 0.103 0.518 195 S N -0.665 115.124 115.700 0.150 0.000 2.642 195 S HA -0.583 4.104 4.470 0.131 -0.138 0.308 195 S C 0.952 175.552 174.600 0.001 0.000 1.255 195 S CA 2.194 60.458 58.200 0.106 0.000 1.057 195 S CB -0.273 63.037 63.200 0.184 0.000 0.785 195 S HN -0.632 7.748 8.310 0.183 0.040 0.500 196 G N 5.131 113.922 108.800 -0.015 0.000 2.268 196 G HA2 -0.437 3.574 3.960 -0.048 0.000 0.240 196 G HA3 -0.437 3.592 3.960 -0.077 -0.116 0.240 196 G C -0.089 174.837 174.900 0.043 0.000 1.010 196 G CA 0.114 45.195 45.100 -0.031 0.000 0.618 196 G HN 0.977 9.173 8.290 0.018 0.105 0.516 197 G N 1.121 109.972 108.800 0.084 0.000 2.621 197 G HA2 0.349 4.450 3.960 0.115 0.000 0.271 197 G HA3 0.349 4.377 3.960 0.114 0.000 0.271 197 G C -2.664 172.317 174.900 0.135 0.000 1.236 197 G CA -1.888 43.280 45.100 0.114 0.000 0.958 197 G HN -0.096 8.067 8.290 0.089 0.181 0.512 198 P HA 0.333 4.961 4.420 0.136 -0.126 0.284 198 P C -1.629 175.743 177.300 0.120 0.000 1.258 198 P CA -0.961 62.234 63.100 0.159 0.000 0.824 198 P CB 1.669 33.531 31.700 0.270 0.000 1.038 199 V N 2.630 122.594 119.914 0.083 0.000 2.357 199 V HA 0.273 4.552 4.120 -0.006 -0.163 0.281 199 V C -1.341 174.767 176.094 0.024 0.000 1.015 199 V CA -0.410 61.900 62.300 0.016 0.000 0.827 199 V CB 1.513 33.317 31.823 -0.032 0.000 1.018 199 V HN -0.234 8.010 8.190 0.090 0.000 0.432 200 V N 7.994 127.915 119.914 0.012 0.000 2.417 200 V HA 0.661 4.939 4.120 -0.060 -0.195 0.291 200 V C -1.323 174.755 176.094 -0.025 0.000 1.024 200 V CA -1.301 60.978 62.300 -0.035 0.000 0.861 200 V CB 2.869 34.650 31.823 -0.070 0.000 0.985 200 V HN 0.652 8.863 8.190 0.036 0.000 0.436 201 c N 7.727 126.298 118.600 -0.047 0.000 2.396 201 c HA 0.600 5.150 4.570 -0.035 0.000 0.321 201 c C 0.239 174.300 174.090 -0.048 0.000 1.233 201 c CA -1.297 55.002 56.329 -0.050 0.000 1.440 201 c CB 1.984 44.445 42.510 -0.082 0.000 2.110 201 c HN 0.569 8.764 8.230 -0.058 0.000 0.473 202 S N 4.373 120.053 115.700 -0.033 0.000 3.581 202 S HA -0.432 4.027 4.470 -0.018 0.000 0.354 202 S C 0.428 175.009 174.600 -0.031 0.000 1.059 202 S CA 1.017 59.200 58.200 -0.028 0.000 1.060 202 S CB -1.974 61.205 63.200 -0.035 0.000 0.908 202 S HN 1.177 9.472 8.310 -0.025 0.000 0.475 203 G N -4.859 103.921 108.800 -0.034 0.000 2.153 203 G HA2 -0.514 3.414 3.960 -0.052 0.000 0.252 203 G HA3 -0.514 3.426 3.960 -0.032 0.000 0.252 203 G C -1.221 173.629 174.900 -0.083 0.000 0.994 203 G CA 0.384 45.454 45.100 -0.050 0.000 0.698 203 G HN 0.364 8.621 8.290 -0.026 0.017 0.521 210 Q N 1.260 121.083 119.800 0.039 0.000 2.396 210 Q HA 0.192 4.576 4.340 0.072 0.000 0.220 210 Q C -0.153 176.018 176.000 0.286 0.000 0.900 210 Q CA 0.197 56.051 55.803 0.085 0.000 0.925 210 Q CB 2.551 31.265 28.738 -0.040 0.000 1.065 210 Q HN 0.338 8.620 8.270 0.020 0.000 0.535 211 G N -3.188 105.785 108.800 0.289 0.000 2.725 211 G HA2 0.613 5.034 3.960 0.371 0.000 0.288 211 G HA3 0.613 4.809 3.960 0.394 0.000 0.288 211 G C -3.233 171.781 174.900 0.191 0.000 1.399 211 G CA -0.693 44.607 45.100 0.332 0.000 0.859 211 G HN -0.346 8.050 8.290 0.177 0.000 0.479 212 I N -1.455 119.220 120.570 0.176 0.000 2.533 212 I HA 0.594 5.082 4.170 0.152 -0.228 0.290 212 I C -0.461 175.776 176.117 0.199 0.000 1.056 212 I CA -1.429 59.961 61.300 0.150 0.000 1.057 212 I CB 4.373 42.420 38.000 0.078 0.000 1.240 212 I HN -0.409 7.890 8.210 0.148 0.000 0.423 213 V N 7.243 127.290 119.914 0.221 0.000 2.493 213 V HA -0.199 3.955 4.120 0.056 0.000 0.292 213 V C -1.161 174.942 176.094 0.014 0.000 1.016 213 V CA 2.067 64.443 62.300 0.126 0.000 1.097 213 V CB -1.125 30.796 31.823 0.163 0.000 0.947 213 V HN 0.371 8.677 8.190 0.194 0.000 0.479 214 S N 7.456 123.070 115.700 -0.144 0.000 3.226 214 S HA 0.433 5.075 4.470 0.287 0.000 0.195 214 S C -1.251 173.444 174.600 0.158 0.000 0.793 214 S CA 1.156 59.419 58.200 0.104 0.000 0.816 214 S CB 2.253 65.513 63.200 0.099 0.000 0.847 214 S HN -0.063 7.947 8.310 -0.500 0.000 0.630 215 W N -3.952 117.194 121.300 -0.258 0.000 3.163 215 W HA 0.348 4.905 4.660 -0.171 0.000 0.395 215 W C -2.409 173.941 176.519 -0.281 0.000 1.100 215 W CA -0.992 56.210 57.345 -0.239 0.000 1.134 215 W CB 1.588 30.903 29.460 -0.242 0.000 1.496 215 W HN -0.298 7.585 8.180 -0.495 0.000 0.605 216 G N -3.256 105.617 108.800 0.121 0.000 2.328 216 G HA2 0.036 3.718 3.960 -0.463 0.000 0.295 216 G HA3 0.036 3.939 3.960 -0.094 0.000 0.295 216 G C -2.327 172.715 174.900 0.237 0.000 1.413 216 G CA 0.211 45.276 45.100 -0.060 0.000 0.817 216 G HN -0.053 8.523 8.290 0.478 0.000 0.546 220 c N 1.912 120.551 118.600 0.066 0.000 3.465 220 c HA 0.294 5.039 4.570 0.066 -0.135 0.193 220 c C -1.400 172.723 174.090 0.055 0.000 1.515 220 c CA -1.008 55.357 56.329 0.060 0.000 1.340 220 c CB -1.446 41.092 42.510 0.046 0.000 1.928 220 c HN 0.323 8.588 8.230 0.057 0.000 0.510 221 Q N -2.111 117.725 119.800 0.059 0.000 2.920 221 Q HA 0.097 4.459 4.340 0.037 0.000 0.255 221 Q C -1.507 174.517 176.000 0.040 0.000 0.976 221 Q CA -0.884 54.946 55.803 0.045 0.000 0.862 221 Q CB 1.940 30.706 28.738 0.047 0.000 1.952 221 Q HN -0.032 8.279 8.270 0.069 0.000 0.489 222 K N 3.770 124.186 120.400 0.027 0.000 2.448 222 K HA -0.251 4.210 4.320 0.033 -0.121 0.278 222 K C 0.172 176.770 176.600 -0.003 0.000 1.009 222 K CA 0.702 57.001 56.287 0.020 0.000 0.995 222 K CB -0.009 32.500 32.500 0.014 0.000 0.917 222 K HN 0.274 8.539 8.250 0.025 0.000 0.481 223 N N 1.993 120.687 118.700 -0.011 0.000 2.778 223 N HA -0.478 4.232 4.740 -0.050 0.000 0.249 223 N C -1.547 173.886 175.510 -0.128 0.000 1.069 223 N CA 1.794 54.809 53.050 -0.059 0.000 0.831 223 N CB -0.403 38.045 38.487 -0.065 0.000 1.142 223 N HN 0.775 9.035 8.380 0.010 0.126 0.573 224 K N -1.810 118.546 120.400 -0.073 0.000 2.679 224 K HA 0.544 4.648 4.320 -0.359 0.000 0.188 224 K C -2.312 174.330 176.600 0.070 0.000 1.055 224 K CA -3.505 52.732 56.287 -0.082 0.000 1.006 224 K CB -0.172 32.350 32.500 0.036 0.000 1.317 224 K HN -0.680 7.497 8.250 -0.013 0.066 0.584 225 P HA -0.065 4.416 4.420 0.102 0.000 0.274 225 P C -0.527 176.830 177.300 0.094 0.000 1.260 225 P CA -0.386 62.779 63.100 0.108 0.000 0.793 225 P CB 1.129 32.878 31.700 0.083 0.000 1.048 226 G N -2.463 106.363 108.800 0.044 0.000 2.476 226 G HA2 0.343 4.207 3.960 -0.313 0.000 0.269 226 G HA3 0.343 4.188 3.960 -0.192 0.000 0.269 226 G C -1.834 172.784 174.900 -0.469 0.000 1.195 226 G CA -0.811 44.147 45.100 -0.236 0.000 0.843 226 G HN -0.377 7.996 8.290 0.139 0.000 0.545 227 V N 1.917 121.223 119.914 -1.013 0.000 2.513 227 V HA 0.558 4.458 4.120 -0.629 -0.158 0.299 227 V C -0.931 174.439 176.094 -1.206 0.000 1.035 227 V CA -0.949 60.707 62.300 -1.074 0.000 0.889 227 V CB 2.131 32.828 31.823 -1.877 0.000 0.988 227 V HN 0.575 8.018 8.190 -1.079 0.100 0.440 228 Y N 4.828 124.726 120.300 -0.670 0.000 2.536 228 Y HA 0.529 4.984 4.550 -0.379 -0.132 0.347 228 Y C 0.060 175.656 175.900 -0.506 0.000 1.000 228 Y CA -2.153 55.556 58.100 -0.652 0.000 1.051 228 Y CB 3.986 41.791 38.460 -1.093 0.000 1.259 228 Y HN 0.936 8.858 8.280 -0.596 0.000 0.468 229 T N 4.390 118.889 114.554 -0.092 0.000 2.851 229 T HA 0.059 4.608 4.350 0.075 -0.154 0.298 229 T C -0.690 174.112 174.700 0.170 0.000 0.977 229 T CA 1.316 63.445 62.100 0.049 0.000 1.126 229 T CB 0.561 69.449 68.868 0.033 0.000 0.916 229 T HN 0.397 8.618 8.240 -0.032 0.000 0.529 230 K N 8.432 129.023 120.400 0.318 0.000 2.127 230 K HA 0.073 4.801 4.320 0.680 0.000 0.261 230 K C 1.010 177.861 176.600 0.418 0.000 1.129 230 K CA -0.464 56.100 56.287 0.462 0.000 0.993 230 K CB -0.448 32.278 32.500 0.378 0.000 1.410 230 K HN 0.227 8.546 8.250 0.293 0.106 0.380 231 V N 5.655 125.798 119.914 0.381 0.000 2.380 231 V HA -0.551 3.857 4.120 0.480 0.000 0.251 231 V C 1.481 177.740 176.094 0.276 0.000 1.063 231 V CA 3.951 66.462 62.300 0.352 0.000 1.055 231 V CB -0.351 31.609 31.823 0.229 0.000 0.657 231 V HN 0.153 8.577 8.190 0.391 0.000 0.455 232 c N -3.168 115.534 118.600 0.169 0.000 2.410 232 c HA -0.247 4.372 4.570 0.082 0.000 0.281 232 c C 1.849 175.963 174.090 0.041 0.000 1.318 232 c CA 1.919 58.299 56.329 0.084 0.000 1.776 232 c CB -2.090 40.440 42.510 0.034 0.000 1.942 232 c HN 0.478 8.792 8.230 0.172 0.019 0.508 233 N N 0.940 119.634 118.700 -0.011 0.000 2.494 233 N HA -0.117 4.530 4.740 -0.155 0.000 0.182 233 N C 0.431 175.713 175.510 -0.380 0.000 1.076 233 N CA 1.403 54.307 53.050 -0.245 0.000 0.908 233 N CB -0.248 37.960 38.487 -0.465 0.000 0.967 233 N HN -0.312 8.074 8.380 0.069 0.035 0.449 234 Y N -4.748 115.620 120.300 0.114 0.000 2.531 234 Y HA 0.157 4.841 4.550 0.223 0.000 0.249 234 Y C 0.079 176.116 175.900 0.228 0.000 1.168 234 Y CA -0.480 57.743 58.100 0.205 0.000 1.226 234 Y CB -0.067 38.533 38.460 0.234 0.000 1.177 234 Y HN -0.143 8.066 8.280 0.193 0.188 0.527 235 V N 0.689 120.742 119.914 0.233 0.000 2.332 235 V HA -0.549 3.668 4.120 0.162 0.000 0.248 235 V C 1.499 177.666 176.094 0.122 0.000 1.055 235 V CA 4.997 67.389 62.300 0.154 0.000 1.038 235 V CB -0.636 31.238 31.823 0.086 0.000 0.651 235 V HN -0.856 7.434 8.190 0.166 0.000 0.450 236 S N -0.264 115.509 115.700 0.121 0.000 2.383 236 S HA -0.320 4.174 4.470 0.039 0.000 0.227 236 S C 1.834 176.505 174.600 0.118 0.000 1.026 236 S CA 2.843 61.095 58.200 0.087 0.000 0.981 236 S CB -0.402 62.845 63.200 0.079 0.000 0.818 236 S HN -0.065 8.315 8.310 0.117 0.000 0.472 237 W N 4.358 125.696 121.300 0.063 0.000 2.354 237 W HA -0.174 4.513 4.660 0.046 0.000 0.315 237 W C 1.492 178.026 176.519 0.024 0.000 1.206 237 W CA 3.133 60.526 57.345 0.081 0.000 1.290 237 W CB -0.096 29.499 29.460 0.226 0.000 1.152 237 W HN -0.414 7.977 8.180 0.369 0.010 0.489 238 I N -1.234 119.340 120.570 0.007 0.000 2.127 238 I HA -0.774 2.996 4.170 -0.667 0.000 0.241 238 I C 1.902 177.785 176.117 -0.390 0.000 1.075 238 I CA 4.588 65.708 61.300 -0.299 0.000 1.334 238 I CB -0.266 37.722 38.000 -0.019 0.000 1.040 238 I HN 0.335 8.753 8.210 0.346 0.000 0.405 239 K N -1.131 119.142 120.400 -0.211 0.000 2.032 239 K HA -0.441 3.731 4.320 -0.246 0.000 0.209 239 K C 2.818 179.270 176.600 -0.247 0.000 1.048 239 K CA 3.752 59.913 56.287 -0.209 0.000 0.927 239 K CB -0.396 32.042 32.500 -0.103 0.000 0.712 239 K HN -0.257 7.937 8.250 -0.094 0.000 0.441 240 Q N -1.657 118.009 119.800 -0.224 0.000 2.046 240 Q HA -0.316 3.933 4.340 -0.152 0.000 0.200 240 Q C 2.602 178.417 176.000 -0.309 0.000 0.975 240 Q CA 3.522 59.203 55.803 -0.204 0.000 0.836 240 Q CB 0.021 28.686 28.738 -0.121 0.000 0.896 240 Q HN 0.272 8.326 8.270 -0.181 0.108 0.428 241 T N 3.009 117.255 114.554 -0.515 0.000 2.684 241 T HA -0.302 3.807 4.350 -0.401 0.000 0.267 241 T C 2.508 176.884 174.700 -0.541 0.000 1.036 241 T CA 5.010 66.760 62.100 -0.584 0.000 1.148 241 T CB -0.237 67.998 68.868 -1.055 0.000 0.863 241 T HN 0.174 7.931 8.240 -0.627 0.107 0.436 242 I N 0.755 120.898 120.570 -0.712 0.000 2.315 242 I HA -0.431 2.987 4.170 -1.254 0.000 0.248 242 I C 1.748 177.643 176.117 -0.371 0.000 1.117 242 I CA 3.581 64.355 61.300 -0.878 0.000 1.404 242 I CB -0.408 36.980 38.000 -1.019 0.000 1.071 242 I HN 0.219 8.009 8.210 -0.699 0.000 0.419 243 A N -0.293 122.360 122.820 -0.278 0.000 1.972 243 A HA -0.207 4.051 4.320 -0.104 0.000 0.219 243 A C 1.344 178.878 177.584 -0.083 0.000 1.169 243 A CA 2.770 54.724 52.037 -0.139 0.000 0.635 243 A CB -0.414 18.515 19.000 -0.118 0.000 0.810 243 A HN -0.001 7.875 8.150 -0.324 0.079 0.446 244 S N -4.619 111.020 115.700 -0.101 0.000 2.577 244 S HA 0.121 4.578 4.470 -0.022 0.000 0.219 244 S C -0.506 174.101 174.600 0.012 0.000 0.962 244 S CA 0.794 58.969 58.200 -0.041 0.000 0.921 244 S CB 0.805 63.973 63.200 -0.054 0.000 0.789 244 S HN -0.291 7.803 8.310 -0.167 0.116 0.497 245 N N 0.000 118.735 118.700 0.059 0.000 1.763 245 N HA 0.000 4.816 4.740 0.127 0.000 0.220 245 N CA 0.000 53.163 53.050 0.189 0.000 0.885 245 N CB 0.000 38.674 38.487 0.312 0.000 1.341 245 N HN 0.000 8.223 8.380 0.018 0.168 0.667