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 1o3h_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 4.190 4.170 0.033 0.000 0.288 16 I C 0.000 176.113 176.117 -0.006 0.000 1.063 16 I CA 0.000 61.301 61.300 0.002 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.059 0.000 1.214 17 V N 5.662 125.583 119.914 0.011 0.000 2.435 17 V HA 0.269 4.517 4.120 -0.011 -0.135 0.290 17 V C 0.607 176.703 176.094 0.004 0.000 1.030 17 V CA -1.619 60.683 62.300 0.003 0.000 0.881 17 V CB 1.362 33.193 31.823 0.013 0.000 0.983 17 V HN 0.819 9.029 8.190 0.033 0.000 0.445 18 G N 6.615 115.412 108.800 -0.006 0.000 2.160 18 G HA2 -0.396 3.557 3.960 -0.012 0.000 0.251 18 G HA3 -0.396 3.704 3.960 -0.030 -0.158 0.251 18 G C -0.628 174.279 174.900 0.012 0.000 1.008 18 G CA 0.513 45.606 45.100 -0.011 0.000 0.724 18 G HN 0.772 9.056 8.290 -0.009 0.000 0.514 19 G N -1.126 107.682 108.800 0.012 0.000 2.583 19 G HA2 0.484 4.492 3.960 0.096 0.000 0.280 19 G HA3 0.484 4.471 3.960 -0.084 -0.077 0.280 19 G C -1.680 173.266 174.900 0.078 0.000 1.376 19 G CA -1.038 44.072 45.100 0.016 0.000 1.043 19 G HN -0.665 7.582 8.290 -0.007 0.039 0.538 20 Y N -6.134 114.145 120.300 -0.034 0.000 2.638 20 Y HA 0.392 4.924 4.550 -0.030 0.000 0.339 20 Y C -1.745 174.128 175.900 -0.045 0.000 1.084 20 Y CA -2.911 55.169 58.100 -0.034 0.000 1.068 20 Y CB 1.044 39.486 38.460 -0.028 0.000 1.294 20 Y HN 0.295 8.238 8.280 -0.562 0.000 0.480 21 T N 2.221 116.825 114.554 0.084 0.000 2.834 21 T HA 0.078 4.486 4.350 -0.106 -0.121 0.298 21 T C 0.159 174.862 174.700 0.006 0.000 0.966 21 T CA 1.040 63.132 62.100 -0.012 0.000 1.141 21 T CB -0.050 68.841 68.868 0.038 0.000 0.905 21 T HN 0.002 8.348 8.240 0.177 0.000 0.535 22 c N 6.129 124.643 118.600 -0.144 0.000 2.429 22 c HA -0.091 4.457 4.570 -0.036 0.000 0.277 22 c C 0.154 174.254 174.090 0.017 0.000 1.262 22 c CA 0.761 57.037 56.329 -0.089 0.000 1.733 22 c CB 0.268 42.661 42.510 -0.195 0.000 2.010 22 c HN 0.143 8.242 8.230 -0.218 0.000 0.483 23 G N -2.016 106.782 108.800 -0.004 0.000 2.885 23 G HA2 -0.171 3.803 3.960 0.024 0.000 0.685 23 G HA3 -0.171 3.806 3.960 0.028 0.000 0.685 23 G C -1.914 172.985 174.900 -0.001 0.000 1.216 23 G CA -0.775 44.335 45.100 0.016 0.000 0.790 23 G HN -0.373 7.898 8.290 -0.031 0.000 0.631 24 A N 4.068 126.895 122.820 0.012 0.000 2.566 24 A HA -0.238 4.336 4.320 0.025 -0.239 0.245 24 A C -0.179 177.410 177.584 0.007 0.000 1.056 24 A CA 1.138 53.186 52.037 0.018 0.000 0.757 24 A CB 0.065 19.082 19.000 0.029 0.000 0.979 24 A HN 0.336 8.497 8.150 0.019 0.000 0.508 25 N N -2.661 116.041 118.700 0.003 0.000 2.714 25 N HA -0.385 4.345 4.740 -0.017 0.000 0.250 25 N C 0.456 175.946 175.510 -0.034 0.000 1.117 25 N CA 1.683 54.726 53.050 -0.012 0.000 0.719 25 N CB -1.068 37.423 38.487 0.007 0.000 1.081 25 N HN 0.559 8.949 8.380 0.015 0.000 0.557 26 T N -3.561 110.964 114.554 -0.049 0.000 3.113 26 T HA -0.002 4.338 4.350 -0.017 0.000 0.256 26 T C -0.021 174.622 174.700 -0.094 0.000 1.131 26 T CA 2.071 64.147 62.100 -0.040 0.000 1.074 26 T CB 0.451 69.310 68.868 -0.015 0.000 0.944 26 T HN -0.523 7.652 8.240 -0.052 0.033 0.516 27 V N 2.334 122.130 119.914 -0.197 0.000 2.313 27 V HA 0.368 4.228 4.120 -0.433 0.000 0.262 27 V C -1.480 174.305 176.094 -0.516 0.000 1.011 27 V CA -3.387 58.639 62.300 -0.455 0.000 0.858 27 V CB 0.654 32.189 31.823 -0.479 0.000 1.104 27 V HN -0.538 7.488 8.190 -0.168 0.063 0.456 28 P HA 0.065 4.529 4.420 -0.089 -0.097 0.230 28 P C 0.024 177.275 177.300 -0.080 0.000 1.158 28 P CA 1.555 64.581 63.100 -0.124 0.000 0.769 28 P CB 0.121 31.825 31.700 0.006 0.000 0.807 29 Y N -6.073 114.252 120.300 0.042 0.000 2.462 29 Y HA 0.503 5.233 4.550 0.055 -0.146 0.261 29 Y C -0.517 175.420 175.900 0.061 0.000 1.146 29 Y CA -3.286 54.844 58.100 0.050 0.000 1.283 29 Y CB -1.196 37.289 38.460 0.042 0.000 1.090 29 Y HN -0.400 7.238 8.280 -0.980 0.055 0.526 30 Q N 2.889 122.553 119.800 -0.227 0.000 2.313 30 Q HA 0.140 4.663 4.340 0.084 -0.132 0.266 30 Q C -0.267 175.815 176.000 0.136 0.000 0.989 30 Q CA 0.250 56.033 55.803 -0.033 0.000 0.890 30 Q CB 0.854 29.472 28.738 -0.200 0.000 1.200 30 Q HN -0.691 7.201 8.270 -0.537 0.057 0.396 31 V N 1.642 121.671 119.914 0.192 0.000 3.046 31 V HA 0.783 5.113 4.120 0.171 -0.108 0.316 31 V C -1.977 174.250 176.094 0.222 0.000 1.104 31 V CA -2.886 59.516 62.300 0.170 0.000 1.006 31 V CB 3.857 35.732 31.823 0.088 0.000 1.058 31 V HN 0.353 8.653 8.190 0.184 0.000 0.440 32 S N 0.333 116.063 115.700 0.050 0.000 2.473 32 S HA 0.456 5.144 4.470 0.186 -0.106 0.307 32 S C -1.070 173.402 174.600 -0.213 0.000 1.094 32 S CA -1.963 56.209 58.200 -0.047 0.000 1.070 32 S CB 1.825 64.773 63.200 -0.420 0.000 1.019 32 S HN 0.056 8.354 8.310 -0.020 0.000 0.480 33 L N 6.778 127.743 121.223 -0.430 0.000 2.275 33 L HA 0.541 4.779 4.340 -0.375 -0.124 0.288 33 L C -1.531 174.877 176.870 -0.771 0.000 1.046 33 L CA -0.860 53.602 54.840 -0.630 0.000 0.805 33 L CB 0.978 42.473 42.059 -0.940 0.000 1.193 33 L HN 0.702 8.636 8.230 -0.494 0.000 0.426 38 G N 0.076 108.784 108.800 -0.154 0.000 2.176 38 G HA2 -0.303 3.646 3.960 -0.018 0.000 0.232 38 G HA3 -0.303 3.718 3.960 0.102 0.000 0.232 38 G C -1.487 173.491 174.900 0.131 0.000 0.986 38 G CA 0.421 45.532 45.100 0.017 0.000 0.643 38 G HN 0.230 8.750 8.290 -0.189 -0.344 0.522 39 Y N -7.386 112.889 120.300 -0.042 0.000 2.732 39 Y HA 0.213 4.726 4.550 -0.062 0.000 0.342 39 Y C -2.519 173.374 175.900 -0.011 0.000 1.203 39 Y CA -3.483 54.593 58.100 -0.041 0.000 1.092 39 Y CB 0.732 39.165 38.460 -0.044 0.000 1.345 39 Y HN -1.172 6.885 8.280 -0.408 -0.022 0.458 40 H N 2.196 121.200 119.070 -0.110 0.000 2.690 40 H HA 0.034 4.535 4.556 -0.360 -0.162 0.314 40 H C -0.711 174.579 175.328 -0.064 0.000 1.069 40 H CA 0.077 55.990 56.048 -0.225 0.000 1.436 40 H CB 0.370 29.983 29.762 -0.248 0.000 1.462 40 H HN 0.183 8.550 8.280 0.146 0.000 0.511 41 F N 1.248 120.746 119.950 -0.754 0.000 2.778 41 F HA 0.355 4.762 4.527 -0.200 0.000 0.314 41 F C -1.536 173.992 175.800 -0.454 0.000 1.073 41 F CA -0.352 57.394 58.000 -0.423 0.000 1.218 41 F CB 1.659 40.491 39.000 -0.279 0.000 1.037 41 F HN -0.232 7.369 8.300 -1.165 0.000 0.594 42 c N -1.794 116.126 118.600 -1.133 0.000 3.321 42 c HA 0.315 4.750 4.570 -0.225 0.000 0.329 42 c C -1.634 172.253 174.090 -0.339 0.000 1.394 42 c CA -0.191 55.818 56.329 -0.532 0.000 1.291 42 c CB 4.104 46.378 42.510 -0.394 0.000 1.606 42 c HN -0.842 6.399 8.230 -1.649 0.000 0.463 43 G N -1.080 107.706 108.800 -0.023 0.000 2.705 43 G HA2 0.813 5.055 3.960 0.233 0.000 0.299 43 G HA3 0.813 4.898 3.960 0.209 0.000 0.299 43 G C -2.518 172.403 174.900 0.035 0.000 1.315 43 G CA -1.658 43.523 45.100 0.135 0.000 1.045 43 G HN 0.707 8.988 8.290 -0.015 0.000 0.517 44 G N -4.088 104.767 108.800 0.092 0.000 2.506 44 G HA2 0.486 4.773 3.960 0.067 0.000 0.292 44 G HA3 0.486 4.475 3.960 0.048 0.000 0.292 44 G C -2.886 172.096 174.900 0.135 0.000 1.425 44 G CA 0.368 45.515 45.100 0.079 0.000 0.788 44 G HN -0.627 7.752 8.290 0.150 0.000 0.490 45 S N -0.389 115.397 115.700 0.143 0.000 2.521 45 S HA 0.775 5.595 4.470 0.265 -0.191 0.295 45 S C -1.317 173.385 174.600 0.170 0.000 1.098 45 S CA -0.893 57.426 58.200 0.198 0.000 0.999 45 S CB 3.759 67.062 63.200 0.172 0.000 1.034 45 S HN 0.343 8.724 8.310 0.119 0.000 0.483 46 L N 6.258 127.598 121.223 0.196 0.000 2.313 46 L HA 0.126 4.553 4.340 0.146 0.000 0.282 46 L C -0.779 176.176 176.870 0.141 0.000 1.092 46 L CA -0.056 54.880 54.840 0.161 0.000 0.831 46 L CB 0.855 43.010 42.059 0.159 0.000 1.159 46 L HN 0.475 8.753 8.230 0.258 0.107 0.442 47 I N 0.256 120.906 120.570 0.133 0.000 4.070 47 I HA 0.482 4.838 4.170 0.066 -0.146 0.328 47 I C -0.913 175.262 176.117 0.097 0.000 1.298 47 I CA -0.533 60.822 61.300 0.093 0.000 1.173 47 I CB 0.888 38.932 38.000 0.073 0.000 1.051 47 I HN 0.367 8.673 8.210 0.161 0.000 0.409 48 N N -2.224 116.557 118.700 0.134 0.000 3.179 48 N HA 0.167 4.963 4.740 0.094 0.000 0.250 48 N C -0.525 175.064 175.510 0.131 0.000 1.507 48 N CA -0.562 52.564 53.050 0.126 0.000 0.883 48 N CB 0.808 39.380 38.487 0.141 0.000 1.435 48 N HN -0.915 7.562 8.380 0.160 0.000 0.532 49 S N -3.344 112.420 115.700 0.107 0.000 2.507 49 S HA -0.321 4.191 4.470 0.070 0.000 0.235 49 S C 0.801 175.435 174.600 0.057 0.000 0.988 49 S CA 2.752 60.998 58.200 0.076 0.000 0.944 49 S CB -0.115 63.118 63.200 0.055 0.000 0.762 49 S HN 0.384 8.753 8.310 0.099 0.000 0.526 50 Q N -0.495 119.354 119.800 0.081 0.000 2.149 50 Q HA 0.336 4.622 4.340 -0.089 0.000 0.221 50 Q C -2.219 173.676 176.000 -0.176 0.000 0.807 50 Q CA -0.527 55.233 55.803 -0.071 0.000 1.000 50 Q CB 2.603 31.273 28.738 -0.114 0.000 1.157 50 Q HN 0.139 8.831 8.270 0.173 -0.318 0.487 51 W N -2.316 118.992 121.300 0.012 0.000 3.022 51 W HA 0.674 5.536 4.660 0.009 -0.197 0.335 51 W C -1.579 174.954 176.519 0.023 0.000 1.133 51 W CA -1.033 56.318 57.345 0.010 0.000 1.219 51 W CB 3.839 33.297 29.460 -0.005 0.000 1.409 51 W HN -0.508 7.922 8.180 0.256 -0.096 0.507 52 V N 1.387 121.457 119.914 0.261 0.000 2.769 52 V HA 0.792 5.191 4.120 0.169 -0.178 0.312 52 V C -1.381 174.826 176.094 0.189 0.000 1.061 52 V CA -1.760 60.646 62.300 0.177 0.000 0.931 52 V CB 3.570 35.454 31.823 0.101 0.000 1.010 52 V HN 0.725 9.076 8.190 0.268 0.000 0.433 53 V N 5.775 125.777 119.914 0.148 0.000 2.513 53 V HA 0.707 5.080 4.120 0.157 -0.159 0.299 53 V C -1.284 174.866 176.094 0.095 0.000 1.035 53 V CA -1.147 61.232 62.300 0.133 0.000 0.889 53 V CB 2.057 33.950 31.823 0.116 0.000 0.988 53 V HN 0.555 8.826 8.190 0.136 0.000 0.440 54 S N 4.457 120.200 115.700 0.071 0.000 2.973 54 S HA 0.540 5.238 4.470 0.028 -0.211 0.317 54 S C -2.050 172.540 174.600 -0.018 0.000 1.196 54 S CA -2.512 55.701 58.200 0.022 0.000 0.894 54 S CB 2.343 65.543 63.200 -0.000 0.000 1.292 54 S HN 0.658 9.021 8.310 0.088 0.000 0.614 55 A N -0.728 122.041 122.820 -0.083 0.000 2.312 55 A HA 0.450 4.848 4.320 -0.114 -0.147 0.326 55 A C 0.570 178.039 177.584 -0.191 0.000 1.172 55 A CA -1.664 50.283 52.037 -0.150 0.000 0.821 55 A CB 1.751 20.607 19.000 -0.240 0.000 1.166 55 A HN 0.218 8.308 8.150 -0.100 0.000 0.493 56 A N 4.644 127.294 122.820 -0.283 0.000 1.972 56 A HA -0.265 3.909 4.320 -0.244 0.000 0.219 56 A C 1.361 178.725 177.584 -0.366 0.000 1.169 56 A CA 2.936 54.692 52.037 -0.469 0.000 0.635 56 A CB -0.416 17.889 19.000 -1.158 0.000 0.810 56 A HN 0.652 8.650 8.150 -0.277 -0.015 0.446 57 H N -4.699 114.218 119.070 -0.255 0.000 2.563 57 H HA -0.077 4.509 4.556 0.051 0.000 0.272 57 H C 0.181 175.559 175.328 0.082 0.000 1.005 57 H CA 1.502 57.553 56.048 0.005 0.000 1.171 57 H CB -1.052 28.777 29.762 0.112 0.000 1.351 57 H HN -0.001 8.456 8.280 -0.183 -0.287 0.602 58 c N -1.791 116.753 118.600 -0.093 0.000 2.697 58 c HA 0.023 4.677 4.570 0.139 0.000 0.267 58 c C 0.407 174.587 174.090 0.150 0.000 1.278 58 c CA 0.098 56.460 56.329 0.054 0.000 1.708 58 c CB -1.465 41.032 42.510 -0.022 0.000 1.860 58 c HN -0.262 7.676 8.230 -0.175 0.187 0.589 59 Y N 3.010 123.320 120.300 0.017 0.000 2.702 59 Y HA -0.281 4.294 4.550 0.041 0.000 0.336 59 Y C -1.059 174.832 175.900 -0.015 0.000 1.235 59 Y CA 2.089 60.200 58.100 0.017 0.000 1.492 59 Y CB 0.712 39.169 38.460 -0.006 0.000 1.308 59 Y HN -0.520 7.684 8.280 0.168 0.177 0.589 60 K N 5.913 125.561 120.400 -1.252 0.000 2.711 60 K HA 0.181 4.091 4.320 -0.683 0.000 0.294 60 K C -2.356 173.737 176.600 -0.845 0.000 1.037 60 K CA -0.846 54.926 56.287 -0.858 0.000 0.858 60 K CB 2.356 34.520 32.500 -0.559 0.000 1.521 60 K HN -0.156 7.205 8.250 -1.481 0.000 0.386 61 S N -0.511 114.918 115.700 -0.451 0.000 2.713 61 S HA 0.143 4.443 4.470 -0.283 0.000 0.283 61 S C 0.706 175.181 174.600 -0.207 0.000 1.161 61 S CA -0.460 57.581 58.200 -0.264 0.000 0.999 61 S CB 1.351 64.487 63.200 -0.106 0.000 1.039 61 S HN -0.183 7.932 8.310 -0.326 0.000 0.548 62 G N -0.080 108.638 108.800 -0.137 0.000 2.248 62 G HA2 -0.240 3.669 3.960 -0.084 0.000 0.263 62 G HA3 -0.240 3.649 3.960 -0.117 0.000 0.263 62 G C -1.618 173.214 174.900 -0.113 0.000 1.082 62 G CA 0.133 45.166 45.100 -0.112 0.000 0.863 62 G HN 0.301 8.525 8.290 -0.109 0.000 0.495 63 I N -1.152 119.363 120.570 -0.092 0.000 2.353 63 I HA 0.087 4.262 4.170 0.009 0.000 0.293 63 I C -1.671 174.406 176.117 -0.066 0.000 0.992 63 I CA -0.809 60.469 61.300 -0.037 0.000 1.268 63 I CB 0.958 38.958 38.000 -0.001 0.000 1.387 63 I HN -0.481 7.671 8.210 -0.096 0.000 0.478 64 Q N 7.069 126.813 119.800 -0.093 0.000 3.184 64 Q HA 0.518 4.803 4.340 -0.091 0.000 0.236 64 Q C -1.653 174.252 176.000 -0.158 0.000 1.038 64 Q CA -1.916 53.812 55.803 -0.125 0.000 0.857 64 Q CB 4.243 32.874 28.738 -0.178 0.000 1.957 64 Q HN 0.482 8.699 8.270 -0.089 0.000 0.453 65 R N -2.663 117.760 120.500 -0.128 0.000 3.008 65 R HA 0.395 4.961 4.340 0.096 -0.169 0.284 65 R C -1.347 174.973 176.300 0.033 0.000 1.187 65 R CA 0.014 56.077 56.100 -0.063 0.000 1.139 65 R CB 2.241 32.352 30.300 -0.316 0.000 1.273 65 R HN 0.578 8.755 8.270 -0.155 0.000 0.410 70 E N -0.667 119.623 120.200 0.151 0.000 2.319 70 E HA 0.109 4.531 4.350 0.120 0.000 0.268 70 E C -1.694 175.084 176.600 0.296 0.000 1.050 70 E CA 0.425 56.927 56.400 0.169 0.000 0.878 70 E CB 1.476 31.197 29.700 0.035 0.000 1.066 70 E HN -0.569 7.859 8.360 0.170 0.034 0.406 71 D N 1.137 121.690 120.400 0.255 0.000 2.912 71 D HA 0.059 4.914 4.640 0.360 0.000 0.170 71 D C -1.141 175.349 176.300 0.316 0.000 1.484 71 D CA 0.890 55.057 54.000 0.279 0.000 1.542 71 D CB 2.346 43.226 40.800 0.134 0.000 1.344 71 D HN 0.099 8.567 8.370 0.163 0.000 0.222 72 N N 1.059 119.858 118.700 0.164 0.000 2.420 72 N HA 0.150 5.120 4.740 0.172 -0.126 0.262 72 N C 2.157 177.674 175.510 0.012 0.000 1.144 72 N CA -0.360 52.760 53.050 0.116 0.000 0.952 72 N CB 0.528 39.058 38.487 0.072 0.000 1.081 72 N HN -0.425 8.322 8.380 0.121 -0.295 0.480 73 I N 0.020 120.511 120.570 -0.131 0.000 3.291 73 I HA -0.020 4.149 4.170 -0.271 -0.161 0.279 73 I C -0.337 175.697 176.117 -0.138 0.000 1.294 73 I CA 1.147 62.270 61.300 -0.296 0.000 1.428 73 I CB -0.591 36.984 38.000 -0.707 0.000 1.070 73 I HN 0.497 8.647 8.210 -0.102 0.000 0.478 74 N N -2.114 116.552 118.700 -0.057 0.000 2.205 74 N HA 0.124 4.850 4.740 -0.024 0.000 0.201 74 N C -0.947 174.570 175.510 0.012 0.000 1.128 74 N CA 0.089 53.129 53.050 -0.016 0.000 0.867 74 N CB 1.989 40.477 38.487 0.002 0.000 0.996 74 N HN -0.054 8.592 8.380 -0.036 -0.288 0.503 75 V N 0.395 120.321 119.914 0.020 0.000 2.588 75 V HA 0.041 4.178 4.120 0.027 0.000 0.304 75 V C -1.395 174.719 176.094 0.034 0.000 1.042 75 V CA -1.077 61.239 62.300 0.028 0.000 0.877 75 V CB 3.077 34.915 31.823 0.026 0.000 0.996 75 V HN -0.862 7.371 8.190 0.012 -0.036 0.425 76 V N 7.635 127.564 119.914 0.026 0.000 2.389 76 V HA -0.178 4.168 4.120 0.016 -0.217 0.264 76 V C 0.133 176.222 176.094 -0.009 0.000 1.049 76 V CA 0.672 62.972 62.300 0.000 0.000 0.932 76 V CB -0.122 31.676 31.823 -0.042 0.000 1.011 76 V HN 0.291 8.494 8.190 0.022 0.000 0.475 77 E N 8.002 128.200 120.200 -0.004 0.000 2.489 77 E HA 0.135 4.485 4.350 -0.001 0.000 0.204 77 E C -0.193 176.400 176.600 -0.012 0.000 1.006 77 E CA -0.443 55.957 56.400 -0.000 0.000 0.936 77 E CB 0.735 30.446 29.700 0.018 0.000 1.002 77 E HN 0.321 9.121 8.360 0.002 -0.439 0.488 78 G N 0.171 108.954 108.800 -0.029 0.000 2.576 78 G HA2 -0.222 3.702 3.960 -0.060 0.000 0.686 78 G HA3 -0.222 3.722 3.960 -0.027 0.000 0.686 78 G C -1.698 173.186 174.900 -0.027 0.000 1.242 78 G CA -0.692 44.385 45.100 -0.038 0.000 0.819 78 G HN -0.433 8.102 8.290 -0.039 -0.268 0.655 79 N N -3.620 115.059 118.700 -0.035 0.000 2.962 79 N HA -0.272 4.457 4.740 -0.018 0.000 0.206 79 N C -0.847 174.651 175.510 -0.020 0.000 0.907 79 N CA 1.350 54.390 53.050 -0.017 0.000 1.029 79 N CB -0.293 38.197 38.487 0.006 0.000 1.009 79 N HN 0.163 8.514 8.380 -0.048 0.000 0.587 80 E N -0.909 119.259 120.200 -0.052 0.000 2.383 80 E HA 0.103 4.713 4.350 0.041 -0.235 0.264 80 E C -0.130 176.403 176.600 -0.112 0.000 1.050 80 E CA 0.810 57.180 56.400 -0.051 0.000 0.896 80 E CB 0.435 30.051 29.700 -0.140 0.000 0.982 80 E HN -0.182 8.039 8.360 -0.071 0.097 0.424 81 Q N 1.577 121.383 119.800 0.010 0.000 2.274 81 Q HA 0.267 4.557 4.340 -0.083 0.000 0.268 81 Q C -1.505 174.637 176.000 0.237 0.000 1.015 81 Q CA -1.186 54.628 55.803 0.017 0.000 0.775 81 Q CB 2.975 31.733 28.738 0.035 0.000 1.256 81 Q HN 0.190 8.535 8.270 0.125 0.000 0.442 82 F N 3.688 123.617 119.950 -0.036 0.000 2.388 82 F HA 0.408 5.073 4.527 -0.053 -0.170 0.358 82 F C -0.207 175.567 175.800 -0.043 0.000 1.122 82 F CA -2.924 55.048 58.000 -0.046 0.000 1.056 82 F CB 0.793 39.765 39.000 -0.048 0.000 1.155 82 F HN 0.384 8.723 8.300 0.066 0.000 0.461 83 I N 4.031 124.669 120.570 0.112 0.000 2.545 83 I HA 0.246 4.441 4.170 0.043 0.000 0.292 83 I C -1.297 174.815 176.117 -0.008 0.000 1.040 83 I CA -1.447 59.876 61.300 0.037 0.000 1.068 83 I CB 3.950 41.957 38.000 0.013 0.000 1.251 83 I HN 0.809 9.068 8.210 0.083 0.000 0.424 84 S N 5.431 121.120 115.700 -0.020 0.000 2.592 84 S HA 0.069 4.509 4.470 -0.050 0.000 0.271 84 S C -0.367 174.197 174.600 -0.061 0.000 1.326 84 S CA 0.708 58.883 58.200 -0.042 0.000 1.024 84 S CB 0.941 64.120 63.200 -0.036 0.000 0.921 84 S HN 0.430 8.734 8.310 -0.010 0.000 0.527 85 A N 3.980 126.760 122.820 -0.066 0.000 2.401 85 A HA 0.128 4.493 4.320 -0.100 -0.105 0.259 85 A C -0.243 177.291 177.584 -0.083 0.000 1.103 85 A CA -0.080 51.909 52.037 -0.080 0.000 0.789 85 A CB 0.469 19.433 19.000 -0.061 0.000 1.035 85 A HN -0.132 7.981 8.150 -0.062 0.000 0.491 86 S N 3.758 119.388 115.700 -0.116 0.000 2.412 86 S HA 0.051 4.478 4.470 -0.073 0.000 0.223 86 S C 0.337 174.893 174.600 -0.073 0.000 1.048 86 S CA 1.402 59.541 58.200 -0.101 0.000 0.954 86 S CB 0.912 64.027 63.200 -0.142 0.000 0.840 86 S HN 0.785 8.879 8.310 -0.165 0.117 0.503 87 K N -0.001 120.348 120.400 -0.085 0.000 2.556 87 K HA 0.279 4.616 4.320 0.029 0.000 0.274 87 K C -2.316 174.307 176.600 0.039 0.000 0.966 87 K CA -0.761 55.524 56.287 -0.003 0.000 0.865 87 K CB 3.461 35.967 32.500 0.011 0.000 1.444 87 K HN -0.799 7.360 8.250 -0.150 0.000 0.433 88 S N 0.995 116.777 115.700 0.137 0.000 2.502 88 S HA 0.713 5.457 4.470 0.174 -0.169 0.304 88 S C -0.863 173.869 174.600 0.219 0.000 1.097 88 S CA -0.467 57.858 58.200 0.208 0.000 1.045 88 S CB 2.580 65.975 63.200 0.326 0.000 1.019 88 S HN 0.167 8.573 8.310 0.160 0.000 0.481 89 I N 7.340 128.050 120.570 0.232 0.000 2.405 89 I HA 0.109 4.375 4.170 0.159 0.000 0.280 89 I C -1.539 174.724 176.117 0.243 0.000 1.027 89 I CA -0.815 60.616 61.300 0.218 0.000 1.161 89 I CB 1.453 39.597 38.000 0.239 0.000 1.300 89 I HN 1.038 9.296 8.210 0.260 0.108 0.463 90 V N 7.844 127.836 119.914 0.129 0.000 2.649 90 V HA -0.159 4.010 4.120 0.081 0.000 0.292 90 V C -0.235 175.944 176.094 0.142 0.000 1.055 90 V CA -0.509 61.833 62.300 0.071 0.000 1.023 90 V CB 0.892 32.662 31.823 -0.087 0.000 0.992 90 V HN 0.352 8.575 8.190 0.054 0.000 0.480 91 H N 8.677 127.732 119.070 -0.026 0.000 3.034 91 H HA -0.035 4.372 4.556 -0.248 0.000 0.324 91 H C -0.439 174.868 175.328 -0.035 0.000 1.015 91 H CA 0.444 56.359 56.048 -0.223 0.000 1.429 91 H CB 1.525 30.991 29.762 -0.494 0.000 1.429 91 H HN -0.278 8.042 8.280 0.068 0.000 0.585 92 P HA -0.116 4.316 4.420 0.019 0.000 0.218 92 P C -0.356 176.991 177.300 0.078 0.000 1.148 92 P CA 1.514 64.590 63.100 -0.040 0.000 0.822 92 P CB 0.344 31.997 31.700 -0.077 0.000 0.784 93 S N -3.679 112.168 115.700 0.246 0.000 2.622 93 S HA 0.035 4.566 4.470 0.103 0.000 0.236 93 S C -0.605 174.105 174.600 0.185 0.000 0.956 93 S CA 0.024 58.351 58.200 0.213 0.000 0.971 93 S CB 0.314 63.638 63.200 0.207 0.000 0.782 93 S HN -0.425 8.097 8.310 0.401 0.029 0.468 94 Y N 3.572 123.925 120.300 0.088 0.000 2.526 94 Y HA -0.313 4.386 4.550 -0.041 -0.174 0.330 94 Y C -0.949 174.944 175.900 -0.011 0.000 1.156 94 Y CA 0.772 58.875 58.100 0.004 0.000 1.419 94 Y CB 0.834 39.300 38.460 0.010 0.000 1.250 94 Y HN -0.769 7.632 8.280 0.337 0.081 0.540 95 N N 7.303 125.632 118.700 -0.619 0.000 2.479 95 N HA 0.215 4.678 4.740 -0.461 0.000 0.261 95 N C -0.175 174.826 175.510 -0.849 0.000 0.979 95 N CA -1.364 51.349 53.050 -0.561 0.000 0.930 95 N CB 1.671 39.992 38.487 -0.278 0.000 1.172 95 N HN -0.157 7.974 8.380 -0.415 0.000 0.499 96 S N 7.072 122.272 115.700 -0.833 0.000 2.474 96 S HA -0.098 4.015 4.470 -0.594 0.000 0.235 96 S C 0.751 175.174 174.600 -0.296 0.000 0.997 96 S CA 2.382 60.263 58.200 -0.532 0.000 0.949 96 S CB -0.200 62.855 63.200 -0.240 0.000 0.766 96 S HN 0.634 8.549 8.310 -0.659 0.000 0.517 97 N N 1.876 120.410 118.700 -0.277 0.000 2.368 97 N HA 0.019 4.639 4.740 -0.200 0.000 0.176 97 N C 0.986 176.341 175.510 -0.259 0.000 1.021 97 N CA 2.277 55.195 53.050 -0.220 0.000 0.888 97 N CB 0.576 38.961 38.487 -0.170 0.000 0.995 97 N HN 0.362 8.809 8.380 -0.303 -0.248 0.437 98 T N -4.147 110.250 114.554 -0.262 0.000 3.014 98 T HA 0.072 4.231 4.350 -0.318 0.000 0.250 98 T C 0.136 174.655 174.700 -0.301 0.000 1.060 98 T CA 0.344 62.282 62.100 -0.270 0.000 1.040 98 T CB 1.805 70.569 68.868 -0.173 0.000 0.971 98 T HN -0.487 7.843 8.240 -0.262 -0.247 0.497 99 L N -3.367 117.715 121.223 -0.235 0.000 4.089 99 L HA -0.500 3.959 4.340 0.081 -0.070 0.408 99 L C -1.948 174.959 176.870 0.062 0.000 1.184 99 L CA 0.395 55.206 54.840 -0.049 0.000 0.947 99 L CB -2.614 39.357 42.059 -0.147 0.000 2.066 99 L HN -0.118 7.948 8.230 -0.275 0.000 0.851 100 N N -0.987 117.707 118.700 -0.011 0.000 2.530 100 N HA -0.132 4.659 4.740 0.084 0.000 0.273 100 N C -0.087 175.466 175.510 0.073 0.000 1.173 100 N CA 0.510 53.583 53.050 0.038 0.000 0.967 100 N CB 1.311 39.793 38.487 -0.008 0.000 1.109 100 N HN -0.711 7.567 8.380 -0.105 0.038 0.453 101 N N -0.697 118.036 118.700 0.056 0.000 2.756 101 N HA -0.467 4.189 4.740 -0.140 0.000 0.248 101 N C -1.493 173.987 175.510 -0.050 0.000 1.062 101 N CA 1.351 54.333 53.050 -0.114 0.000 0.696 101 N CB -1.487 36.822 38.487 -0.296 0.000 0.946 101 N HN 0.634 9.070 8.380 0.094 0.000 0.548 102 D N -1.072 119.337 120.400 0.014 0.000 2.608 102 D HA 0.053 4.670 4.640 -0.038 0.000 0.224 102 D C -1.656 174.539 176.300 -0.174 0.000 1.123 102 D CA -0.349 53.651 54.000 -0.001 0.000 1.030 102 D CB -0.742 40.154 40.800 0.160 0.000 1.093 102 D HN -0.098 8.296 8.370 0.040 0.000 0.497 103 I N 2.068 122.474 120.570 -0.272 0.000 2.802 103 I HA 0.542 4.783 4.170 -0.145 -0.158 0.298 103 I C -3.086 172.985 176.117 -0.077 0.000 1.176 103 I CA -1.509 59.660 61.300 -0.217 0.000 1.025 103 I CB 4.142 41.874 38.000 -0.446 0.000 1.243 103 I HN -0.130 7.871 8.210 -0.286 0.038 0.424 104 M N 6.263 125.892 119.600 0.048 0.000 2.470 104 M HA 0.707 5.502 4.480 0.240 -0.170 0.285 104 M C -2.761 173.671 176.300 0.220 0.000 1.213 104 M CA -1.074 54.320 55.300 0.157 0.000 0.901 104 M CB 4.824 37.474 32.600 0.083 0.000 1.718 104 M HN 0.425 8.738 8.290 0.038 0.000 0.469 105 L N 3.082 124.475 121.223 0.283 0.000 2.334 105 L HA 0.844 5.513 4.340 0.269 -0.168 0.276 105 L C -1.279 175.788 176.870 0.328 0.000 1.014 105 L CA -1.503 53.522 54.840 0.307 0.000 0.815 105 L CB 3.169 45.391 42.059 0.272 0.000 1.268 105 L HN 0.364 8.785 8.230 0.318 0.000 0.428 106 I N 0.908 121.652 120.570 0.289 0.000 2.436 106 I HA 0.574 4.975 4.170 0.097 -0.173 0.289 106 I C -1.566 174.496 176.117 -0.092 0.000 1.010 106 I CA -1.394 59.969 61.300 0.105 0.000 1.098 106 I CB 2.997 41.029 38.000 0.053 0.000 1.266 106 I HN 0.811 9.215 8.210 0.323 0.000 0.434 107 K N 6.494 126.640 120.400 -0.422 0.000 2.130 107 K HA 0.635 4.268 4.320 -1.392 -0.149 0.268 107 K C -1.133 175.178 176.600 -0.482 0.000 0.983 107 K CA -1.876 53.807 56.287 -1.006 0.000 0.893 107 K CB 3.114 34.860 32.500 -1.257 0.000 1.066 107 K HN 0.685 8.776 8.250 -0.265 0.000 0.450 108 L N 4.065 125.035 121.223 -0.422 0.000 2.375 108 L HA 0.226 4.567 4.340 -0.169 -0.102 0.271 108 L C 1.801 178.554 176.870 -0.195 0.000 1.107 108 L CA -0.181 54.526 54.840 -0.221 0.000 0.806 108 L CB 0.519 42.490 42.059 -0.147 0.000 1.146 108 L HN 0.697 8.596 8.230 -0.552 0.000 0.447 109 K N 3.432 123.756 120.400 -0.126 0.000 2.097 109 K HA -0.328 3.928 4.320 -0.107 0.000 0.206 109 K C -0.662 175.889 176.600 -0.081 0.000 1.049 109 K CA 2.586 58.816 56.287 -0.095 0.000 0.933 109 K CB 0.351 32.814 32.500 -0.062 0.000 0.717 109 K HN 0.651 8.838 8.250 -0.105 0.000 0.442 110 S N -4.146 111.513 115.700 -0.068 0.000 2.627 110 S HA 0.118 4.557 4.470 -0.051 0.000 0.283 110 S C -1.797 172.774 174.600 -0.047 0.000 1.127 110 S CA -1.027 57.144 58.200 -0.049 0.000 0.863 110 S CB 2.762 65.945 63.200 -0.029 0.000 1.121 110 S HN -0.414 7.857 8.310 -0.065 0.000 0.479 111 A N -0.530 122.272 122.820 -0.032 0.000 2.386 111 A HA 0.108 4.547 4.320 -0.029 -0.136 0.248 111 A C -0.357 177.224 177.584 -0.004 0.000 1.082 111 A CA -0.180 51.846 52.037 -0.017 0.000 0.789 111 A CB 0.573 19.572 19.000 -0.001 0.000 1.025 111 A HN 0.192 8.327 8.150 -0.026 0.000 0.490 112 A N 0.686 123.511 122.820 0.008 0.000 2.304 112 A HA 0.220 4.628 4.320 0.013 -0.080 0.271 112 A C -0.569 177.027 177.584 0.020 0.000 1.091 112 A CA -1.380 50.668 52.037 0.018 0.000 0.812 112 A CB 1.512 20.530 19.000 0.031 0.000 1.056 112 A HN 0.330 8.377 8.150 0.011 0.110 0.489 113 S N 0.215 115.925 115.700 0.018 0.000 2.452 113 S HA 0.096 4.577 4.470 0.017 0.000 0.284 113 S C -0.549 174.065 174.600 0.025 0.000 1.171 113 S CA -0.522 57.688 58.200 0.017 0.000 1.064 113 S CB 0.567 63.772 63.200 0.008 0.000 0.967 113 S HN -0.055 8.595 8.310 0.016 -0.330 0.484 114 L N 5.778 127.019 121.223 0.030 0.000 2.379 114 L HA 0.272 4.763 4.340 0.042 -0.126 0.269 114 L C -0.485 176.403 176.870 0.031 0.000 1.084 114 L CA -0.318 54.545 54.840 0.037 0.000 0.802 114 L CB 0.887 42.973 42.059 0.044 0.000 1.175 114 L HN 0.205 8.452 8.230 0.028 0.000 0.448 115 N N 1.534 120.254 118.700 0.033 0.000 3.593 115 N HA 0.079 4.834 4.740 0.025 0.000 0.357 115 N C -1.530 173.998 175.510 0.031 0.000 1.518 115 N CA -0.399 52.667 53.050 0.027 0.000 0.823 115 N CB 0.483 38.982 38.487 0.019 0.000 2.346 115 N HN 0.439 8.738 8.380 0.040 0.105 0.521 116 S N -3.047 112.669 115.700 0.026 0.000 2.470 116 S HA -0.102 4.389 4.470 0.036 0.000 0.225 116 S C 0.664 175.281 174.600 0.028 0.000 1.006 116 S CA 1.916 60.134 58.200 0.029 0.000 0.934 116 S CB 0.214 63.428 63.200 0.023 0.000 0.778 116 S HN 0.043 8.366 8.310 0.021 0.000 0.517 117 R N -1.009 119.505 120.500 0.024 0.000 2.223 117 R HA 0.123 4.472 4.340 0.014 0.000 0.198 117 R C -1.133 175.183 176.300 0.026 0.000 0.984 117 R CA 0.271 56.383 56.100 0.020 0.000 1.018 117 R CB 0.949 31.259 30.300 0.017 0.000 0.945 117 R HN 0.015 8.572 8.270 0.022 -0.275 0.479 118 V N -1.689 118.246 119.914 0.036 0.000 2.443 118 V HA 0.248 4.576 4.120 0.048 -0.179 0.293 118 V C -2.201 173.931 176.094 0.064 0.000 1.021 118 V CA -1.034 61.295 62.300 0.049 0.000 0.848 118 V CB 2.589 34.440 31.823 0.046 0.000 0.998 118 V HN -0.425 8.011 8.190 0.035 -0.225 0.424 119 A N 6.509 129.384 122.820 0.092 0.000 2.556 119 A HA 0.476 4.847 4.320 0.086 0.000 0.294 119 A C -2.750 174.926 177.584 0.153 0.000 1.091 119 A CA -1.117 50.986 52.037 0.109 0.000 0.704 119 A CB 3.384 22.452 19.000 0.113 0.000 1.300 119 A HN 0.380 8.469 8.150 0.099 0.120 0.406 120 S N -1.494 114.280 115.700 0.123 0.000 2.693 120 S HA 0.570 5.272 4.470 0.160 -0.136 0.276 120 S C -0.573 174.080 174.600 0.087 0.000 1.192 120 S CA -1.207 57.066 58.200 0.122 0.000 0.994 120 S CB 1.694 64.946 63.200 0.086 0.000 1.012 120 S HN 0.004 8.372 8.310 0.096 0.000 0.550 121 I N 0.475 121.052 120.570 0.010 0.000 2.562 121 I HA 0.227 4.321 4.170 -0.128 0.000 0.301 121 I C -1.081 174.984 176.117 -0.086 0.000 1.003 121 I CA -1.616 59.594 61.300 -0.150 0.000 1.127 121 I CB 4.024 41.722 38.000 -0.503 0.000 1.304 121 I HN 0.135 8.366 8.210 0.035 0.000 0.446 122 S N 6.256 121.904 115.700 -0.087 0.000 2.584 122 S HA 0.229 4.682 4.470 -0.028 0.000 0.273 122 S C -0.569 174.003 174.600 -0.047 0.000 1.311 122 S CA -0.310 57.861 58.200 -0.048 0.000 1.034 122 S CB 0.779 63.956 63.200 -0.039 0.000 0.939 122 S HN 0.293 8.538 8.310 -0.109 0.000 0.513 123 L N 2.591 123.801 121.223 -0.021 0.000 2.439 123 L HA 0.123 4.463 4.340 0.001 0.000 0.261 123 L C -1.289 175.578 176.870 -0.006 0.000 1.153 123 L CA -1.765 53.074 54.840 -0.002 0.000 0.808 123 L CB 0.039 42.106 42.059 0.012 0.000 1.126 123 L HN 0.231 8.451 8.230 -0.016 0.000 0.460 124 P HA 0.139 4.548 4.420 -0.018 0.000 0.278 124 P C -1.227 176.072 177.300 -0.002 0.000 1.258 124 P CA -0.791 62.305 63.100 -0.007 0.000 0.811 124 P CB 0.811 32.507 31.700 -0.007 0.000 1.063 128 c N 0.520 119.096 118.600 -0.041 0.000 2.500 128 c HA 0.080 4.615 4.570 -0.059 0.000 0.367 128 c C 0.037 174.070 174.090 -0.096 0.000 1.283 128 c CA -0.654 55.637 56.329 -0.064 0.000 2.456 128 c CB 0.496 42.973 42.510 -0.054 0.000 2.457 128 c HN -0.045 8.164 8.230 -0.035 0.000 0.632 129 A N 0.594 123.321 122.820 -0.155 0.000 2.264 129 A HA 0.080 4.327 4.320 -0.122 0.000 0.304 129 A C -0.997 176.486 177.584 -0.168 0.000 1.100 129 A CA -0.363 51.573 52.037 -0.168 0.000 0.839 129 A CB 1.261 20.122 19.000 -0.233 0.000 1.121 129 A HN 0.198 8.229 8.150 -0.198 0.000 0.496 133 G N 0.825 109.584 108.800 -0.068 0.000 2.253 133 G HA2 -0.326 3.598 3.960 -0.059 0.000 0.251 133 G HA3 -0.326 3.605 3.960 -0.048 0.000 0.251 133 G C 0.224 175.084 174.900 -0.068 0.000 0.998 133 G CA 0.164 45.228 45.100 -0.060 0.000 0.621 133 G HN 0.787 8.930 8.290 -0.071 0.105 0.524 134 T N 3.616 118.118 114.554 -0.087 0.000 2.928 134 T HA -0.192 4.118 4.350 -0.067 0.000 0.305 134 T C -0.962 173.689 174.700 -0.081 0.000 1.035 134 T CA 2.415 64.463 62.100 -0.087 0.000 1.145 134 T CB 0.750 69.546 68.868 -0.119 0.000 0.963 134 T HN -0.550 7.543 8.240 -0.101 0.087 0.545 135 Q N 5.690 125.457 119.800 -0.055 0.000 2.256 135 Q HA 0.186 4.607 4.340 -0.048 -0.110 0.254 135 Q C -0.948 175.032 176.000 -0.034 0.000 0.916 135 Q CA 0.132 55.914 55.803 -0.036 0.000 0.932 135 Q CB 1.535 30.269 28.738 -0.008 0.000 1.207 135 Q HN 0.185 8.427 8.270 -0.046 0.000 0.426 136 c N 3.259 121.841 118.600 -0.030 0.000 3.044 136 c HA 0.585 5.247 4.570 -0.020 -0.105 0.315 136 c C -1.856 172.240 174.090 0.010 0.000 1.320 136 c CA -1.592 54.721 56.329 -0.025 0.000 1.582 136 c CB 4.296 46.770 42.510 -0.061 0.000 2.039 136 c HN 0.830 8.930 8.230 -0.031 0.111 0.466 137 L N 0.894 122.130 121.223 0.023 0.000 2.313 137 L HA 0.911 5.474 4.340 0.058 -0.188 0.283 137 L C -2.164 174.722 176.870 0.028 0.000 1.013 137 L CA -1.363 53.506 54.840 0.048 0.000 0.816 137 L CB 3.197 45.305 42.059 0.083 0.000 1.236 137 L HN 0.548 8.787 8.230 0.015 0.000 0.419 138 I N 7.542 128.115 120.570 0.005 0.000 2.474 138 I HA 0.870 5.286 4.170 0.013 -0.238 0.294 138 I C -1.297 174.792 176.117 -0.047 0.000 1.005 138 I CA -1.525 59.773 61.300 -0.004 0.000 1.113 138 I CB 2.379 40.380 38.000 0.002 0.000 1.289 138 I HN 0.888 9.104 8.210 0.011 0.000 0.436 139 S N 2.790 118.454 115.700 -0.061 0.000 2.588 139 S HA 1.020 5.515 4.470 -0.225 -0.160 0.275 139 S C -1.156 173.326 174.600 -0.198 0.000 1.130 139 S CA -1.826 56.262 58.200 -0.186 0.000 0.855 139 S CB 3.726 66.781 63.200 -0.243 0.000 1.116 139 S HN -0.214 8.091 8.310 -0.009 0.000 0.472 140 G N -1.209 107.382 108.800 -0.348 0.000 2.316 140 G HA2 0.157 3.893 3.960 -0.372 0.000 0.296 140 G HA3 0.157 4.233 3.960 -0.055 -0.149 0.296 140 G C -2.334 172.352 174.900 -0.356 0.000 1.399 140 G CA 0.544 45.470 45.100 -0.290 0.000 0.833 140 G HN 0.228 8.251 8.290 -0.444 0.000 0.565 141 W N 1.131 122.383 121.300 -0.081 0.000 3.015 141 W HA 0.375 4.989 4.660 -0.076 0.000 0.429 141 W C -0.372 176.202 176.519 0.091 0.000 0.976 141 W CA -0.984 56.283 57.345 -0.130 0.000 2.086 141 W CB 0.081 29.235 29.460 -0.510 0.000 1.125 141 W HN 0.601 8.946 8.180 0.276 0.000 0.721 142 G N 0.726 109.717 108.800 0.319 0.000 2.588 142 G HA2 -0.012 4.314 3.960 0.605 0.000 0.281 142 G HA3 -0.012 4.319 3.960 0.316 -0.182 0.281 142 G C -1.059 173.994 174.900 0.255 0.000 1.236 142 G CA -0.900 44.440 45.100 0.399 0.000 0.969 142 G HN -0.441 8.117 8.290 0.194 -0.151 0.504 143 N N -0.588 118.182 118.700 0.116 0.000 2.353 143 N HA -0.309 4.144 4.740 -0.741 -0.159 0.248 143 N C 0.858 176.291 175.510 -0.128 0.000 1.240 143 N CA 1.129 53.991 53.050 -0.313 0.000 0.862 143 N CB 0.604 38.904 38.487 -0.312 0.000 1.086 143 N HN 0.150 8.713 8.380 0.305 0.000 0.453 144 T N 0.140 114.604 114.554 -0.150 0.000 3.054 144 T HA 0.204 4.663 4.350 -0.043 -0.135 0.255 144 T C 0.217 174.879 174.700 -0.064 0.000 1.035 144 T CA 0.398 62.456 62.100 -0.071 0.000 0.941 144 T CB 1.538 70.377 68.868 -0.049 0.000 1.026 144 T HN 0.200 8.301 8.240 -0.233 0.000 0.533 145 K N 2.322 122.669 120.400 -0.089 0.000 2.203 145 K HA 0.268 4.565 4.320 -0.037 0.000 0.251 145 K C -0.548 176.029 176.600 -0.038 0.000 0.944 145 K CA -1.116 55.137 56.287 -0.056 0.000 0.829 145 K CB 2.433 34.895 32.500 -0.063 0.000 1.125 145 K HN -0.551 7.871 8.250 -0.142 -0.257 0.430 146 S N -0.047 115.644 115.700 -0.015 0.000 2.486 146 S HA -0.054 4.421 4.470 0.007 0.000 0.220 146 S C -0.113 174.489 174.600 0.005 0.000 1.011 146 S CA 1.529 59.730 58.200 0.003 0.000 0.921 146 S CB 0.954 64.161 63.200 0.012 0.000 0.785 146 S HN 0.086 8.388 8.310 -0.013 0.000 0.517 147 S N 1.622 117.321 115.700 -0.003 0.000 2.269 147 S HA 0.200 4.675 4.470 0.008 0.000 0.194 147 S C -0.832 173.765 174.600 -0.006 0.000 1.547 147 S CA -0.128 58.073 58.200 0.002 0.000 1.186 147 S CB -0.389 62.813 63.200 0.004 0.000 1.069 147 S HN -0.493 7.779 8.310 -0.009 0.032 0.473 148 G N 1.256 110.050 108.800 -0.009 0.000 2.381 148 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.672 148 G HA3 -0.189 3.761 3.960 -0.016 0.000 0.672 148 G C -2.677 172.192 174.900 -0.051 0.000 1.324 148 G CA -0.770 44.321 45.100 -0.016 0.000 0.975 148 G HN -0.325 7.963 8.290 -0.004 0.000 0.593 149 T N -3.436 111.083 114.554 -0.058 0.000 2.770 149 T HA 0.126 4.498 4.350 -0.290 -0.196 0.283 149 T C -1.142 173.441 174.700 -0.196 0.000 0.988 149 T CA -1.839 60.157 62.100 -0.172 0.000 0.957 149 T CB 1.847 70.708 68.868 -0.011 0.000 0.930 149 T HN -0.209 8.020 8.240 -0.019 0.000 0.443 150 S N 4.670 120.168 115.700 -0.335 0.000 2.779 150 S HA 0.240 4.682 4.470 -0.047 0.000 0.293 150 S C -2.066 172.371 174.600 -0.271 0.000 1.150 150 S CA -0.704 57.402 58.200 -0.158 0.000 1.057 150 S CB 1.194 64.343 63.200 -0.085 0.000 1.021 150 S HN 0.609 8.991 8.310 -0.493 -0.367 0.485 151 Y N 5.746 126.088 120.300 0.070 0.000 2.342 151 Y HA 0.227 4.837 4.550 0.100 0.000 0.334 151 Y C -0.822 175.131 175.900 0.088 0.000 1.067 151 Y CA -2.671 55.485 58.100 0.094 0.000 1.128 151 Y CB 1.188 39.715 38.460 0.113 0.000 1.200 151 Y HN 0.128 8.528 8.280 0.201 0.000 0.464 152 P HA 0.289 4.789 4.420 0.133 0.000 0.280 152 P C -1.661 175.772 177.300 0.220 0.000 1.272 152 P CA -1.130 62.077 63.100 0.178 0.000 0.819 152 P CB 1.992 33.767 31.700 0.124 0.000 1.122 153 D N -2.697 117.809 120.400 0.176 0.000 2.323 153 D HA -0.004 4.710 4.640 0.123 0.000 0.218 153 D C -0.715 175.741 176.300 0.261 0.000 0.973 153 D CA 1.737 55.832 54.000 0.158 0.000 0.890 153 D CB 0.954 41.814 40.800 0.099 0.000 1.011 153 D HN 0.389 8.842 8.370 0.138 0.000 0.499 154 V N -7.600 112.457 119.914 0.238 0.000 2.966 154 V HA 0.612 5.136 4.120 0.406 -0.160 0.317 154 V C -0.721 175.422 176.094 0.082 0.000 1.070 154 V CA -2.774 59.676 62.300 0.251 0.000 1.008 154 V CB 1.987 33.875 31.823 0.109 0.000 1.070 154 V HN -0.914 7.374 8.190 0.162 0.000 0.457 155 L N 1.555 122.688 121.223 -0.149 0.000 2.455 155 L HA -0.043 3.430 4.340 -1.444 0.000 0.272 155 L C -0.314 176.279 176.870 -0.462 0.000 1.174 155 L CA 0.782 55.167 54.840 -0.758 0.000 0.869 155 L CB 0.619 42.217 42.059 -0.768 0.000 1.130 155 L HN -0.121 8.324 8.230 0.061 -0.178 0.474 156 K N 5.632 125.740 120.400 -0.487 0.000 2.156 156 K HA 0.685 4.954 4.320 -0.342 -0.154 0.250 156 K C -1.088 175.249 176.600 -0.439 0.000 0.955 156 K CA -2.492 53.574 56.287 -0.368 0.000 0.855 156 K CB 2.400 34.755 32.500 -0.243 0.000 1.101 156 K HN -0.247 7.633 8.250 -0.617 0.000 0.434 157 c N -0.780 117.459 118.600 -0.601 0.000 2.707 157 c HA 0.959 5.464 4.570 -0.399 -0.174 0.313 157 c C -1.802 171.930 174.090 -0.597 0.000 1.209 157 c CA -0.719 55.211 56.329 -0.665 0.000 1.635 157 c CB 3.692 45.647 42.510 -0.924 0.000 2.206 157 c HN 0.696 8.502 8.230 -0.707 0.000 0.485 158 L N 0.075 121.166 121.223 -0.220 0.000 2.482 158 L HA 0.380 4.798 4.340 0.130 0.000 0.263 158 L C -2.498 174.453 176.870 0.135 0.000 0.957 158 L CA 0.082 54.943 54.840 0.035 0.000 0.836 158 L CB 4.518 46.606 42.059 0.049 0.000 1.324 158 L HN 0.753 8.885 8.230 -0.163 0.000 0.406 159 K N 5.681 126.223 120.400 0.235 0.000 2.213 159 K HA 0.799 5.400 4.320 0.136 -0.199 0.270 159 K C -1.066 175.667 176.600 0.222 0.000 1.002 159 K CA -1.433 54.969 56.287 0.192 0.000 0.868 159 K CB 1.098 33.713 32.500 0.191 0.000 1.093 159 K HN 0.348 8.772 8.250 0.290 0.000 0.454 160 A N 4.408 127.294 122.820 0.109 0.000 2.486 160 A HA 0.653 4.966 4.320 -0.011 0.000 0.300 160 A C -3.384 174.133 177.584 -0.111 0.000 1.048 160 A CA -2.797 49.237 52.037 -0.005 0.000 0.696 160 A CB 3.134 22.140 19.000 0.009 0.000 1.278 160 A HN 0.954 9.138 8.150 0.056 0.000 0.405 161 P HA 0.743 5.312 4.420 -0.106 -0.213 0.284 161 P C -1.045 176.182 177.300 -0.122 0.000 1.258 161 P CA -1.437 61.572 63.100 -0.152 0.000 0.824 161 P CB 1.564 33.169 31.700 -0.157 0.000 1.038 162 I N 0.375 120.888 120.570 -0.096 0.000 2.529 162 I HA -0.050 4.265 4.170 0.056 -0.112 0.284 162 I C 0.063 176.161 176.117 -0.032 0.000 1.082 162 I CA 0.523 61.792 61.300 -0.053 0.000 1.406 162 I CB 0.336 38.214 38.000 -0.203 0.000 1.405 162 I HN 0.140 8.284 8.210 -0.111 0.000 0.548 163 L N 6.279 127.521 121.223 0.032 0.000 2.431 163 L HA 0.286 4.615 4.340 -0.018 0.000 0.260 163 L C 0.013 176.899 176.870 0.026 0.000 1.098 163 L CA -1.019 53.831 54.840 0.016 0.000 0.800 163 L CB 0.662 42.741 42.059 0.034 0.000 1.210 163 L HN 0.307 8.493 8.230 0.112 0.111 0.465 164 S N -1.548 114.161 115.700 0.015 0.000 2.603 164 S HA -0.081 4.393 4.470 0.008 0.000 0.268 164 S C 0.453 175.076 174.600 0.039 0.000 1.317 164 S CA -0.853 57.357 58.200 0.017 0.000 1.012 164 S CB 1.785 64.989 63.200 0.007 0.000 0.926 164 S HN -0.085 8.229 8.310 0.007 0.000 0.539 165 D N 1.658 122.082 120.400 0.041 0.000 2.144 165 D HA -0.229 4.458 4.640 0.079 0.000 0.199 165 D C 1.507 177.838 176.300 0.050 0.000 0.984 165 D CA 3.622 57.656 54.000 0.057 0.000 0.834 165 D CB -0.381 40.448 40.800 0.049 0.000 0.955 165 D HN 0.597 8.984 8.370 0.028 0.000 0.465 166 S N -1.191 114.529 115.700 0.034 0.000 2.383 166 S HA -0.283 4.207 4.470 0.033 0.000 0.227 166 S C 2.051 176.668 174.600 0.028 0.000 1.026 166 S CA 3.252 61.469 58.200 0.029 0.000 0.981 166 S CB -0.634 62.577 63.200 0.019 0.000 0.818 166 S HN 0.059 8.386 8.310 0.027 0.000 0.472 167 S N 3.893 119.608 115.700 0.025 0.000 2.368 167 S HA -0.250 4.223 4.470 0.006 0.000 0.224 167 S C 1.815 176.431 174.600 0.027 0.000 1.029 167 S CA 4.053 62.263 58.200 0.016 0.000 0.988 167 S CB -0.101 63.106 63.200 0.012 0.000 0.838 167 S HN -0.618 7.706 8.310 0.025 0.000 0.462 168 c N 3.498 122.134 118.600 0.060 0.000 2.413 168 c HA -0.324 4.314 4.570 0.114 0.000 0.277 168 c C 1.770 175.936 174.090 0.128 0.000 1.228 168 c CA 2.930 59.324 56.329 0.108 0.000 1.731 168 c CB -1.700 40.885 42.510 0.126 0.000 2.042 168 c HN -0.130 8.136 8.230 0.060 0.000 0.468 169 K N -1.395 119.067 120.400 0.103 0.000 2.211 169 K HA -0.307 4.103 4.320 0.151 0.000 0.203 169 K C 2.378 179.018 176.600 0.067 0.000 1.050 169 K CA 2.947 59.297 56.287 0.104 0.000 0.945 169 K CB -0.287 32.261 32.500 0.080 0.000 0.732 169 K HN 0.075 8.376 8.250 0.086 0.000 0.451 170 S N -1.202 114.517 115.700 0.031 0.000 2.406 170 S HA -0.169 4.308 4.470 0.011 0.000 0.228 170 S C 1.333 175.907 174.600 -0.044 0.000 1.020 170 S CA 2.485 60.686 58.200 0.001 0.000 0.965 170 S CB -0.102 63.094 63.200 -0.007 0.000 0.798 170 S HN -0.281 7.937 8.310 0.032 0.111 0.488 171 A N -0.050 122.714 122.820 -0.093 0.000 1.930 171 A HA -0.097 4.068 4.320 -0.257 0.000 0.215 171 A C -0.166 177.140 177.584 -0.462 0.000 1.176 171 A CA 1.974 53.825 52.037 -0.310 0.000 0.632 171 A CB 0.850 19.598 19.000 -0.421 0.000 0.819 171 A HN -0.429 7.579 8.150 -0.043 0.116 0.445 172 Y N -5.496 114.841 120.300 0.061 0.000 2.553 172 Y HA 0.460 5.082 4.550 0.120 0.000 0.369 172 Y C -2.412 173.548 175.900 0.100 0.000 0.964 172 Y CA -3.700 54.468 58.100 0.115 0.000 1.156 172 Y CB -0.363 38.209 38.460 0.187 0.000 1.218 172 Y HN -0.432 7.886 8.280 0.062 0.000 0.630 173 P HA -0.123 4.490 4.420 0.104 -0.131 0.262 173 P C 0.906 178.277 177.300 0.118 0.000 1.182 173 P CA 1.198 64.364 63.100 0.109 0.000 0.761 173 P CB 0.042 31.779 31.700 0.062 0.000 0.795 174 G N 4.100 112.960 108.800 0.100 0.000 2.189 174 G HA2 -0.372 3.626 3.960 0.063 0.000 0.267 174 G HA3 -0.372 3.624 3.960 0.059 0.000 0.267 174 G C 0.197 175.151 174.900 0.089 0.000 0.975 174 G CA 0.669 45.815 45.100 0.077 0.000 0.644 174 G HN 0.522 8.869 8.290 0.094 0.000 0.537 175 Q N -2.183 117.707 119.800 0.150 0.000 2.217 175 Q HA 0.085 4.460 4.340 0.059 0.000 0.217 175 Q C -0.626 175.504 176.000 0.215 0.000 0.844 175 Q CA -0.481 55.411 55.803 0.148 0.000 0.957 175 Q CB 1.311 30.163 28.738 0.190 0.000 1.127 175 Q HN -0.230 8.089 8.270 0.198 0.069 0.503 176 I N 0.409 121.100 120.570 0.201 0.000 2.321 176 I HA 0.072 4.379 4.170 0.227 0.000 0.291 176 I C -0.454 175.738 176.117 0.124 0.000 0.998 176 I CA -2.359 59.050 61.300 0.183 0.000 1.227 176 I CB -0.839 37.261 38.000 0.167 0.000 1.368 176 I HN -0.411 7.906 8.210 0.178 0.000 0.466 177 T N 2.395 117.018 114.554 0.116 0.000 2.910 177 T HA 0.366 4.755 4.350 0.065 0.000 0.279 177 T C 0.802 175.550 174.700 0.080 0.000 0.989 177 T CA -2.094 60.053 62.100 0.080 0.000 0.968 177 T CB 2.180 71.087 68.868 0.066 0.000 1.135 177 T HN -0.405 7.919 8.240 0.140 0.000 0.562 178 S N -2.256 113.477 115.700 0.056 0.000 2.603 178 S HA -0.181 4.327 4.470 0.064 0.000 0.229 178 S C -0.029 174.609 174.600 0.064 0.000 0.972 178 S CA 1.615 59.846 58.200 0.051 0.000 0.935 178 S CB -0.203 63.009 63.200 0.020 0.000 0.769 178 S HN 0.244 8.578 8.310 0.040 0.000 0.536 179 N N 0.410 119.161 118.700 0.085 0.000 2.279 179 N HA 0.138 4.941 4.740 0.104 0.000 0.226 179 N C -1.857 173.765 175.510 0.187 0.000 1.126 179 N CA -0.380 52.750 53.050 0.134 0.000 0.846 179 N CB 0.879 39.468 38.487 0.170 0.000 1.050 179 N HN -0.553 7.791 8.380 0.083 0.086 0.502 180 M N -1.296 118.399 119.600 0.159 0.000 2.593 180 M HA 0.877 5.619 4.480 0.074 -0.218 0.290 180 M C -2.392 174.014 176.300 0.177 0.000 1.244 180 M CA -0.431 54.937 55.300 0.113 0.000 0.857 180 M CB 5.184 37.827 32.600 0.071 0.000 1.738 180 M HN -0.751 7.537 8.290 0.143 0.088 0.461 181 F N -6.091 113.901 119.950 0.070 0.000 2.645 181 F HA 0.612 5.169 4.527 0.049 0.000 0.310 181 F C -2.810 173.040 175.800 0.083 0.000 1.102 181 F CA -1.666 56.373 58.000 0.066 0.000 0.952 181 F CB 2.364 41.402 39.000 0.063 0.000 1.326 181 F HN 0.062 8.208 8.300 -0.256 0.000 0.456 182 c N -0.142 118.635 118.600 0.296 0.000 2.391 182 c HA 1.002 5.824 4.570 0.080 -0.205 0.339 182 c C -1.045 173.259 174.090 0.356 0.000 1.205 182 c CA -0.970 55.482 56.329 0.204 0.000 1.937 182 c CB 2.719 45.312 42.510 0.138 0.000 2.341 182 c HN 0.893 9.330 8.230 0.345 0.000 0.516 183 A N 3.131 126.145 122.820 0.323 0.000 2.476 183 A HA 0.676 5.214 4.320 0.107 -0.153 0.280 183 A C -2.272 175.380 177.584 0.114 0.000 1.081 183 A CA -0.443 51.703 52.037 0.182 0.000 0.753 183 A CB 2.694 21.732 19.000 0.062 0.000 1.248 183 A HN 0.436 8.797 8.150 0.352 0.000 0.424 184 Y N 2.888 123.225 120.300 0.060 0.000 2.365 184 Y HA 0.057 4.629 4.550 0.037 0.000 0.340 184 Y C 0.983 176.901 175.900 0.031 0.000 1.016 184 Y CA -0.100 58.025 58.100 0.041 0.000 1.196 184 Y CB 0.673 39.155 38.460 0.036 0.000 1.167 184 Y HN 0.214 8.658 8.280 0.274 0.000 0.509 185 L N 4.002 125.300 121.223 0.125 0.000 2.275 185 L HA -0.297 4.076 4.340 0.056 0.000 0.215 185 L C 1.097 178.014 176.870 0.078 0.000 1.119 185 L CA 2.149 57.032 54.840 0.071 0.000 0.790 185 L CB -0.417 41.663 42.059 0.035 0.000 0.919 185 L HN 0.524 8.813 8.230 0.097 0.000 0.443 186 E N -2.098 118.166 120.200 0.107 0.000 2.418 186 E HA -0.137 4.242 4.350 0.048 0.000 0.197 186 E C 0.801 177.436 176.600 0.059 0.000 1.026 186 E CA 0.285 56.727 56.400 0.069 0.000 0.862 186 E CB -0.504 29.233 29.700 0.062 0.000 0.799 186 E HN 0.104 8.524 8.360 0.155 0.033 0.518 187 G N 0.763 109.615 108.800 0.086 0.000 3.292 187 G HA2 -0.377 3.667 3.960 0.083 0.000 0.636 187 G HA3 -0.377 3.624 3.960 0.044 -0.015 0.636 187 G C -0.746 174.175 174.900 0.035 0.000 1.069 187 G CA -0.194 44.944 45.100 0.064 0.000 0.890 187 G HN -0.594 7.615 8.290 0.133 0.161 0.427 188 K N 1.484 121.874 120.400 -0.017 0.000 6.706 188 K HA -0.604 3.866 4.320 -0.001 -0.150 0.669 188 K C -1.255 175.432 176.600 0.145 0.000 2.465 188 K CA 0.610 56.900 56.287 0.004 0.000 1.801 188 K CB -0.099 32.293 32.500 -0.180 0.000 1.883 188 K HN 0.132 8.392 8.250 0.017 0.000 0.285 189 D N 0.439 120.915 120.400 0.127 0.000 2.764 189 D HA 0.300 5.068 4.640 0.214 0.000 0.293 189 D C -1.927 174.448 176.300 0.125 0.000 1.287 189 D CA -0.630 53.464 54.000 0.156 0.000 0.768 189 D CB 4.370 45.245 40.800 0.124 0.000 1.288 189 D HN 0.235 8.656 8.370 0.084 0.000 0.426 190 S N -1.765 114.022 115.700 0.145 0.000 2.730 190 S HA 0.349 4.881 4.470 0.103 0.000 0.284 190 S C -1.412 173.242 174.600 0.091 0.000 1.153 190 S CA -0.663 57.614 58.200 0.128 0.000 0.995 190 S CB 1.882 65.199 63.200 0.195 0.000 1.058 190 S HN 0.280 8.692 8.310 0.170 0.000 0.552 191 c N -1.704 116.954 118.600 0.098 0.000 3.293 191 c HA 0.272 4.893 4.570 0.085 0.000 0.362 191 c C -1.502 172.678 174.090 0.150 0.000 1.539 191 c CA -0.591 55.797 56.329 0.099 0.000 1.201 191 c CB 2.851 45.403 42.510 0.070 0.000 1.770 191 c HN 0.214 8.791 8.230 0.114 -0.279 0.440 192 Q N 1.682 121.585 119.800 0.172 0.000 2.333 192 Q HA -0.373 4.105 4.340 0.230 0.000 0.299 192 Q C 1.098 177.294 176.000 0.326 0.000 1.067 192 Q CA 2.221 58.167 55.803 0.239 0.000 0.943 192 Q CB 0.731 29.614 28.738 0.242 0.000 1.233 192 Q HN 0.497 8.851 8.270 0.140 0.000 0.401 193 G N 5.827 114.814 108.800 0.312 0.000 2.284 193 G HA2 -0.442 3.677 3.960 0.265 0.000 0.230 193 G HA3 -0.442 3.823 3.960 0.509 0.000 0.230 193 G C 0.590 175.710 174.900 0.367 0.000 1.021 193 G CA 1.117 46.440 45.100 0.371 0.000 0.619 193 G HN 0.522 8.974 8.290 0.269 0.000 0.510 194 D N 2.408 122.971 120.400 0.272 0.000 2.327 194 D HA 0.103 4.889 4.640 0.242 0.000 0.205 194 D C 0.131 176.529 176.300 0.164 0.000 0.989 194 D CA 0.942 55.070 54.000 0.212 0.000 0.873 194 D CB 0.688 41.584 40.800 0.160 0.000 0.955 194 D HN -0.026 8.385 8.370 0.253 0.111 0.515 195 S N -0.736 115.056 115.700 0.153 0.000 2.599 195 S HA -0.566 4.140 4.470 0.112 -0.168 0.303 195 S C 1.061 175.658 174.600 -0.005 0.000 1.267 195 S CA 2.149 60.402 58.200 0.089 0.000 1.055 195 S CB -0.085 63.173 63.200 0.097 0.000 0.790 195 S HN -0.582 7.801 8.310 0.189 0.040 0.500 196 G N 4.514 113.301 108.800 -0.023 0.000 2.268 196 G HA2 -0.440 3.575 3.960 -0.045 0.000 0.240 196 G HA3 -0.440 3.600 3.960 -0.068 -0.121 0.240 196 G C -0.052 174.875 174.900 0.046 0.000 1.010 196 G CA 0.122 45.204 45.100 -0.029 0.000 0.618 196 G HN 0.827 9.119 8.290 0.004 0.000 0.516 197 G N 1.209 110.061 108.800 0.087 0.000 2.616 197 G HA2 0.320 4.421 3.960 0.119 0.000 0.268 197 G HA3 0.320 4.351 3.960 0.118 0.000 0.268 197 G C -2.640 172.338 174.900 0.131 0.000 1.213 197 G CA -1.888 43.282 45.100 0.116 0.000 0.926 197 G HN -0.212 8.038 8.290 0.091 0.095 0.523 198 P HA 0.314 4.925 4.420 0.123 -0.118 0.282 198 P C -1.627 175.734 177.300 0.101 0.000 1.249 198 P CA -0.896 62.292 63.100 0.146 0.000 0.806 198 P CB 1.583 33.434 31.700 0.251 0.000 0.984 199 V N 2.640 122.592 119.914 0.062 0.000 2.419 199 V HA 0.250 4.512 4.120 -0.024 -0.157 0.287 199 V C -1.343 174.756 176.094 0.009 0.000 1.017 199 V CA -0.428 61.870 62.300 -0.004 0.000 0.844 199 V CB 1.729 33.519 31.823 -0.054 0.000 1.011 199 V HN -0.242 7.990 8.190 0.071 0.000 0.429 200 V N 8.067 127.980 119.914 -0.002 0.000 2.417 200 V HA 0.617 4.886 4.120 -0.071 -0.192 0.291 200 V C -1.311 174.761 176.094 -0.036 0.000 1.024 200 V CA -1.215 61.057 62.300 -0.046 0.000 0.861 200 V CB 2.770 34.546 31.823 -0.078 0.000 0.985 200 V HN 0.571 8.774 8.190 0.022 0.000 0.436 201 c N 7.336 125.903 118.600 -0.056 0.000 2.441 201 c HA 0.571 5.117 4.570 -0.040 0.000 0.318 201 c C 0.228 174.287 174.090 -0.052 0.000 1.222 201 c CA -1.302 54.994 56.329 -0.056 0.000 1.474 201 c CB 2.304 44.761 42.510 -0.088 0.000 2.125 201 c HN 0.704 8.894 8.230 -0.067 0.000 0.479 202 S N 5.072 120.749 115.700 -0.037 0.000 3.549 202 S HA -0.354 4.104 4.470 -0.020 0.000 0.366 202 S C 0.304 174.883 174.600 -0.034 0.000 1.012 202 S CA 1.013 59.195 58.200 -0.031 0.000 1.141 202 S CB -1.213 61.965 63.200 -0.037 0.000 0.910 202 S HN 1.135 9.427 8.310 -0.029 0.000 0.471 203 G N -5.247 103.531 108.800 -0.037 0.000 2.168 203 G HA2 -0.359 3.566 3.960 -0.058 0.000 0.257 203 G HA3 -0.359 3.579 3.960 -0.036 0.000 0.257 203 G C -0.792 174.056 174.900 -0.086 0.000 0.997 203 G CA 0.493 45.561 45.100 -0.054 0.000 0.708 203 G HN 0.297 8.559 8.290 -0.029 0.011 0.520 210 Q N 1.102 120.919 119.800 0.029 0.000 2.392 210 Q HA 0.189 4.565 4.340 0.061 0.000 0.219 210 Q C -0.192 175.963 176.000 0.259 0.000 0.895 210 Q CA 0.187 56.030 55.803 0.067 0.000 0.929 210 Q CB 2.556 31.253 28.738 -0.069 0.000 1.077 210 Q HN 0.307 8.583 8.270 0.010 0.000 0.532 211 G N -3.148 105.819 108.800 0.279 0.000 2.694 211 G HA2 0.623 5.067 3.960 0.396 0.000 0.290 211 G HA3 0.623 4.838 3.960 0.425 0.000 0.290 211 G C -3.247 171.764 174.900 0.186 0.000 1.386 211 G CA -0.741 44.564 45.100 0.340 0.000 0.872 211 G HN -0.415 7.975 8.290 0.165 0.000 0.475 212 I N -1.247 119.427 120.570 0.174 0.000 2.498 212 I HA 0.555 5.026 4.170 0.145 -0.214 0.290 212 I C -0.432 175.813 176.117 0.213 0.000 1.032 212 I CA -1.386 60.003 61.300 0.148 0.000 1.073 212 I CB 4.295 42.341 38.000 0.076 0.000 1.251 212 I HN -0.405 7.899 8.210 0.156 0.000 0.426 213 V N 7.143 127.201 119.914 0.240 0.000 2.493 213 V HA -0.220 4.037 4.120 0.229 0.000 0.292 213 V C -1.205 174.913 176.094 0.039 0.000 1.016 213 V CA 2.110 64.523 62.300 0.189 0.000 1.097 213 V CB -0.981 30.962 31.823 0.199 0.000 0.947 213 V HN 0.370 8.678 8.190 0.198 0.000 0.479 214 S N 7.249 122.878 115.700 -0.118 0.000 3.393 214 S HA 0.426 5.059 4.470 0.272 0.000 0.209 214 S C -1.323 173.392 174.600 0.192 0.000 0.897 214 S CA 0.962 59.229 58.200 0.112 0.000 0.825 214 S CB 2.102 65.358 63.200 0.092 0.000 0.898 214 S HN -0.149 7.885 8.310 -0.460 0.000 0.615 215 W N -4.033 117.125 121.300 -0.237 0.000 2.940 215 W HA 0.285 4.856 4.660 -0.148 0.000 0.394 215 W C -2.720 173.631 176.519 -0.280 0.000 1.155 215 W CA -0.753 56.459 57.345 -0.221 0.000 1.165 215 W CB 1.412 30.737 29.460 -0.225 0.000 1.492 215 W HN -0.317 7.543 8.180 -0.534 0.000 0.593 216 G N -3.338 105.510 108.800 0.080 0.000 2.356 216 G HA2 0.098 3.758 3.960 -0.500 0.000 0.294 216 G HA3 0.098 3.992 3.960 -0.111 0.000 0.294 216 G C -2.379 172.661 174.900 0.233 0.000 1.423 216 G CA 0.230 45.279 45.100 -0.086 0.000 0.806 216 G HN -0.049 8.478 8.290 0.395 0.000 0.527 220 c N 1.841 120.480 118.600 0.066 0.000 3.359 220 c HA 0.304 5.048 4.570 0.067 -0.133 0.194 220 c C -1.493 172.631 174.090 0.055 0.000 1.659 220 c CA -0.818 55.547 56.329 0.061 0.000 1.338 220 c CB -1.366 41.174 42.510 0.050 0.000 2.109 220 c HN 0.348 8.612 8.230 0.057 0.000 0.518 221 Q N -1.615 118.220 119.800 0.058 0.000 2.889 221 Q HA 0.149 4.511 4.340 0.036 0.000 0.262 221 Q C -1.437 174.587 176.000 0.040 0.000 0.966 221 Q CA -0.728 55.102 55.803 0.044 0.000 0.858 221 Q CB 2.496 31.262 28.738 0.047 0.000 1.845 221 Q HN 0.047 8.358 8.270 0.068 0.000 0.464 222 K N 3.552 123.969 120.400 0.028 0.000 2.436 222 K HA -0.241 4.218 4.320 0.035 -0.118 0.275 222 K C 0.236 176.837 176.600 0.002 0.000 0.999 222 K CA 0.654 56.955 56.287 0.022 0.000 0.980 222 K CB 0.034 32.543 32.500 0.015 0.000 0.919 222 K HN 0.242 8.506 8.250 0.024 0.000 0.484 223 N N 1.988 120.685 118.700 -0.004 0.000 2.713 223 N HA -0.477 4.240 4.740 -0.039 0.000 0.251 223 N C -1.628 173.815 175.510 -0.111 0.000 1.117 223 N CA 1.789 54.809 53.050 -0.049 0.000 0.770 223 N CB -0.425 38.027 38.487 -0.059 0.000 1.137 223 N HN 0.776 9.041 8.380 0.017 0.125 0.566 224 K N -2.214 118.151 120.400 -0.058 0.000 2.679 224 K HA 0.543 4.674 4.320 -0.314 0.000 0.188 224 K C -2.376 174.276 176.600 0.087 0.000 1.055 224 K CA -3.456 52.793 56.287 -0.062 0.000 1.006 224 K CB -0.128 32.391 32.500 0.032 0.000 1.317 224 K HN -0.744 7.451 8.250 -0.002 0.054 0.584 225 P HA -0.053 4.434 4.420 0.112 0.000 0.274 225 P C -0.551 176.800 177.300 0.084 0.000 1.260 225 P CA -0.395 62.775 63.100 0.118 0.000 0.793 225 P CB 1.166 32.925 31.700 0.098 0.000 1.048 226 G N -2.541 106.272 108.800 0.022 0.000 2.476 226 G HA2 0.345 4.089 3.960 -0.361 0.000 0.269 226 G HA3 0.345 4.154 3.960 -0.253 0.000 0.269 226 G C -1.807 172.756 174.900 -0.563 0.000 1.195 226 G CA -0.756 44.169 45.100 -0.292 0.000 0.843 226 G HN -0.387 7.979 8.290 0.128 0.000 0.545 227 V N 1.813 121.059 119.914 -1.113 0.000 2.495 227 V HA 0.653 4.526 4.120 -0.698 -0.173 0.298 227 V C -1.034 174.287 176.094 -1.289 0.000 1.031 227 V CA -1.029 60.584 62.300 -1.144 0.000 0.871 227 V CB 2.353 33.056 31.823 -1.867 0.000 0.988 227 V HN 0.478 7.961 8.190 -1.179 0.000 0.432 228 Y N 4.939 124.819 120.300 -0.700 0.000 2.499 228 Y HA 0.547 4.993 4.550 -0.394 -0.132 0.347 228 Y C 0.235 175.836 175.900 -0.499 0.000 0.987 228 Y CA -2.233 55.467 58.100 -0.667 0.000 1.044 228 Y CB 3.811 41.607 38.460 -1.107 0.000 1.245 228 Y HN 1.019 8.901 8.280 -0.663 0.000 0.461 229 T N 4.914 119.423 114.554 -0.075 0.000 2.870 229 T HA 0.013 4.567 4.350 0.081 -0.155 0.300 229 T C -0.618 174.195 174.700 0.189 0.000 0.989 229 T CA 1.468 63.603 62.100 0.058 0.000 1.139 229 T CB 0.461 69.347 68.868 0.029 0.000 0.920 229 T HN 0.317 8.545 8.240 -0.020 0.000 0.537 230 K N 8.379 128.978 120.400 0.331 0.000 2.171 230 K HA 0.060 4.788 4.320 0.680 0.000 0.274 230 K C 0.983 177.834 176.600 0.418 0.000 1.110 230 K CA -0.374 56.193 56.287 0.467 0.000 0.952 230 K CB -0.323 32.407 32.500 0.383 0.000 1.309 230 K HN 0.203 8.527 8.250 0.300 0.106 0.414 231 V N 6.276 126.415 119.914 0.374 0.000 2.469 231 V HA -0.513 3.898 4.120 0.486 0.000 0.251 231 V C 1.421 177.676 176.094 0.269 0.000 1.064 231 V CA 3.887 66.395 62.300 0.347 0.000 1.066 231 V CB -0.262 31.693 31.823 0.221 0.000 0.667 231 V HN 0.278 8.698 8.190 0.384 0.000 0.461 232 c N -3.269 115.428 118.600 0.162 0.000 2.409 232 c HA -0.231 4.385 4.570 0.077 0.000 0.284 232 c C 1.771 175.884 174.090 0.038 0.000 1.354 232 c CA 1.778 58.154 56.329 0.079 0.000 1.787 232 c CB -2.112 40.416 42.510 0.030 0.000 1.900 232 c HN 0.477 8.804 8.230 0.161 0.000 0.520 233 N N 1.005 119.697 118.700 -0.012 0.000 2.457 233 N HA -0.108 4.535 4.740 -0.163 0.000 0.180 233 N C 0.452 175.722 175.510 -0.401 0.000 1.050 233 N CA 1.385 54.282 53.050 -0.255 0.000 0.906 233 N CB -0.165 38.038 38.487 -0.472 0.000 0.968 233 N HN -0.345 8.040 8.380 0.073 0.039 0.445 234 Y N -4.717 115.651 120.300 0.114 0.000 2.531 234 Y HA 0.153 4.843 4.550 0.232 0.000 0.249 234 Y C 0.118 176.155 175.900 0.229 0.000 1.168 234 Y CA -0.461 57.764 58.100 0.209 0.000 1.226 234 Y CB -0.113 38.490 38.460 0.238 0.000 1.177 234 Y HN -0.195 8.029 8.280 0.203 0.177 0.527 235 V N 0.673 120.727 119.914 0.232 0.000 2.332 235 V HA -0.545 3.671 4.120 0.160 0.000 0.248 235 V C 1.483 177.648 176.094 0.119 0.000 1.055 235 V CA 5.007 67.398 62.300 0.152 0.000 1.038 235 V CB -0.597 31.277 31.823 0.085 0.000 0.651 235 V HN -0.776 7.514 8.190 0.166 0.000 0.450 236 S N -0.317 115.454 115.700 0.118 0.000 2.383 236 S HA -0.307 4.183 4.470 0.033 0.000 0.227 236 S C 1.835 176.502 174.600 0.112 0.000 1.026 236 S CA 2.783 61.032 58.200 0.082 0.000 0.981 236 S CB -0.388 62.857 63.200 0.075 0.000 0.818 236 S HN -0.052 8.327 8.310 0.115 0.000 0.472 237 W N 4.402 125.738 121.300 0.061 0.000 2.354 237 W HA -0.187 4.502 4.660 0.047 0.000 0.315 237 W C 1.365 177.901 176.519 0.027 0.000 1.206 237 W CA 3.249 60.644 57.345 0.082 0.000 1.290 237 W CB -0.090 29.508 29.460 0.230 0.000 1.152 237 W HN -0.406 7.986 8.180 0.377 0.014 0.489 238 I N -1.260 119.304 120.570 -0.011 0.000 2.127 238 I HA -0.767 3.014 4.170 -0.648 0.000 0.241 238 I C 1.942 177.828 176.117 -0.386 0.000 1.075 238 I CA 4.588 65.706 61.300 -0.303 0.000 1.334 238 I CB -0.249 37.732 38.000 -0.032 0.000 1.040 238 I HN 0.391 8.801 8.210 0.334 0.000 0.405 239 K N -1.023 119.248 120.400 -0.215 0.000 2.032 239 K HA -0.431 3.741 4.320 -0.245 0.000 0.209 239 K C 2.774 179.225 176.600 -0.249 0.000 1.048 239 K CA 3.792 59.953 56.287 -0.210 0.000 0.927 239 K CB -0.373 32.063 32.500 -0.106 0.000 0.712 239 K HN -0.242 7.947 8.250 -0.102 0.000 0.441 240 Q N -1.570 118.093 119.800 -0.227 0.000 2.079 240 Q HA -0.284 3.962 4.340 -0.157 0.000 0.200 240 Q C 2.765 178.577 176.000 -0.314 0.000 0.974 240 Q CA 3.170 58.847 55.803 -0.210 0.000 0.840 240 Q CB 0.060 28.720 28.738 -0.130 0.000 0.898 240 Q HN 0.209 8.261 8.270 -0.184 0.107 0.430 241 T N 2.994 117.234 114.554 -0.524 0.000 2.708 241 T HA -0.266 3.844 4.350 -0.401 0.000 0.266 241 T C 2.421 176.799 174.700 -0.537 0.000 1.037 241 T CA 4.997 66.748 62.100 -0.582 0.000 1.146 241 T CB -0.177 68.075 68.868 -1.028 0.000 0.865 241 T HN 0.098 7.952 8.240 -0.645 0.000 0.435 242 I N 1.102 121.244 120.570 -0.713 0.000 2.226 242 I HA -0.478 2.946 4.170 -1.243 0.000 0.245 242 I C 1.838 177.737 176.117 -0.365 0.000 1.100 242 I CA 3.833 64.616 61.300 -0.862 0.000 1.374 242 I CB -0.396 37.009 38.000 -0.993 0.000 1.057 242 I HN 0.204 7.987 8.210 -0.712 0.000 0.413 243 A N -0.355 122.302 122.820 -0.273 0.000 2.019 243 A HA -0.203 4.059 4.320 -0.097 0.000 0.219 243 A C 1.194 178.729 177.584 -0.082 0.000 1.164 243 A CA 2.984 54.940 52.037 -0.135 0.000 0.644 243 A CB -0.285 18.644 19.000 -0.118 0.000 0.805 243 A HN 0.062 8.020 8.150 -0.320 0.000 0.449 244 S N -4.863 110.777 115.700 -0.100 0.000 2.577 244 S HA 0.085 4.541 4.470 -0.024 0.000 0.219 244 S C 0.075 174.680 174.600 0.009 0.000 0.962 244 S CA 0.152 58.327 58.200 -0.043 0.000 0.921 244 S CB 0.786 63.952 63.200 -0.056 0.000 0.789 244 S HN -0.383 7.705 8.310 -0.166 0.123 0.497 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.813 4.740 0.122 0.000 0.220 245 N CA 0.000 53.159 53.050 0.181 0.000 0.885 245 N CB 0.000 38.673 38.487 0.310 0.000 1.341 245 N HN 0.000 8.223 8.380 0.017 0.167 0.667