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 2cf8_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF 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 4.204 4.170 0.057 0.000 0.288 16 I C 0.000 176.142 176.117 0.042 0.000 1.063 16 I CA 0.000 61.326 61.300 0.043 0.000 1.566 16 I CB 0.000 38.010 38.000 0.016 0.000 1.214 17 V N 6.989 126.934 119.914 0.052 0.000 2.439 17 V HA 0.213 4.532 4.120 0.040 -0.175 0.282 17 V C 0.547 176.672 176.094 0.051 0.000 1.039 17 V CA -1.380 60.948 62.300 0.047 0.000 0.913 17 V CB 0.897 32.748 31.823 0.047 0.000 0.983 17 V HN 0.591 8.817 8.190 0.060 0.000 0.460 18 E N 1.584 121.808 120.200 0.040 0.000 2.637 18 E HA -0.410 3.957 4.350 0.029 0.000 0.265 18 E C -0.806 175.821 176.600 0.045 0.000 1.073 18 E CA 1.190 57.614 56.400 0.039 0.000 0.778 18 E CB -2.266 27.460 29.700 0.044 0.000 1.362 18 E HN 0.927 9.307 8.360 0.034 0.000 0.413 19 G N -2.495 106.326 108.800 0.036 0.000 2.736 19 G HA2 0.357 4.410 3.960 0.021 0.000 0.229 19 G HA3 0.357 4.339 3.960 0.038 0.000 0.229 19 G C -1.445 173.463 174.900 0.013 0.000 1.380 19 G CA -0.774 44.342 45.100 0.028 0.000 1.040 19 G HN -0.403 7.873 8.290 0.031 0.033 0.568 20 S N -2.886 112.815 115.700 0.002 0.000 2.618 20 S HA 0.208 4.679 4.470 0.002 0.000 0.277 20 S C -2.081 172.510 174.600 -0.015 0.000 1.138 20 S CA -0.941 57.258 58.200 -0.001 0.000 0.844 20 S CB 2.652 65.855 63.200 0.005 0.000 1.127 20 S HN 0.001 8.309 8.310 -0.005 0.000 0.474 21 D N 2.067 122.463 120.400 -0.006 0.000 2.458 21 D HA -0.154 4.599 4.640 -0.032 -0.133 0.243 21 D C 0.625 176.930 176.300 0.009 0.000 1.146 21 D CA 0.705 54.703 54.000 -0.003 0.000 0.877 21 D CB 0.109 40.928 40.800 0.030 0.000 1.176 21 D HN 0.184 8.555 8.370 0.002 0.000 0.461 22 A N 4.337 127.158 122.820 0.001 0.000 2.425 22 A HA -0.115 4.187 4.320 -0.029 0.000 0.242 22 A C 0.227 177.866 177.584 0.092 0.000 1.077 22 A CA -0.023 52.021 52.037 0.012 0.000 0.781 22 A CB 1.218 20.197 19.000 -0.035 0.000 1.020 22 A HN 0.132 8.258 8.150 -0.039 0.000 0.494 23 E N 0.904 121.103 120.200 -0.001 0.000 2.349 23 E HA -0.013 4.316 4.350 -0.034 0.000 0.262 23 E C -0.355 176.174 176.600 -0.118 0.000 1.088 23 E CA -1.241 55.131 56.400 -0.046 0.000 0.899 23 E CB 0.897 30.561 29.700 -0.059 0.000 1.044 23 E HN 0.045 8.384 8.360 -0.035 0.000 0.420 24 I N 1.349 121.792 120.570 -0.211 0.000 2.752 24 I HA -0.185 3.776 4.170 -0.348 0.000 0.289 24 I C 1.241 177.292 176.117 -0.110 0.000 1.197 24 I CA 1.001 62.160 61.300 -0.235 0.000 1.432 24 I CB -0.541 37.347 38.000 -0.187 0.000 1.359 24 I HN 0.178 8.270 8.210 -0.197 0.000 0.571 25 G N 4.827 113.589 108.800 -0.064 0.000 2.166 25 G HA2 -0.413 3.467 3.960 -0.132 0.000 0.260 25 G HA3 -0.413 3.490 3.960 -0.095 0.000 0.260 25 G C -0.001 174.738 174.900 -0.267 0.000 0.986 25 G CA 0.834 45.858 45.100 -0.127 0.000 0.683 25 G HN 0.135 8.411 8.290 -0.025 0.000 0.527 26 M N -1.168 118.273 119.600 -0.265 0.000 2.349 26 M HA -0.145 4.144 4.480 -0.318 0.000 0.266 26 M C -1.121 174.820 176.300 -0.599 0.000 1.076 26 M CA 1.999 57.093 55.300 -0.345 0.000 1.126 26 M CB 0.763 33.222 32.600 -0.234 0.000 1.392 26 M HN -0.684 7.448 8.290 -0.205 0.035 0.440 27 S N -3.078 112.232 115.700 -0.650 0.000 2.235 27 S HA 0.545 4.125 4.470 -1.483 0.000 0.152 27 S C -1.714 172.260 174.600 -1.044 0.000 1.649 27 S CA -2.530 55.066 58.200 -1.008 0.000 1.277 27 S CB -0.302 62.556 63.200 -0.570 0.000 1.299 27 S HN 0.006 8.026 8.310 -0.484 0.000 0.388 28 P HA 0.227 4.554 4.420 -0.325 -0.102 0.241 28 P C 0.027 177.142 177.300 -0.308 0.000 1.191 28 P CA 1.132 63.907 63.100 -0.541 0.000 0.771 28 P CB 0.162 31.620 31.700 -0.403 0.000 0.929 29 W N -4.963 116.322 121.300 -0.025 0.000 3.139 29 W HA 0.214 4.937 4.660 -0.003 -0.066 0.260 29 W C -0.664 175.880 176.519 0.041 0.000 1.312 29 W CA -2.777 54.566 57.345 -0.004 0.000 1.606 29 W CB -1.474 27.975 29.460 -0.018 0.000 1.118 29 W HN -0.654 6.585 8.180 -1.485 0.050 0.675 30 Q N 1.977 121.791 119.800 0.023 0.000 2.337 30 Q HA -0.024 4.432 4.340 0.194 0.000 0.270 30 Q C -1.245 174.898 176.000 0.239 0.000 1.002 30 Q CA 1.056 56.933 55.803 0.123 0.000 0.888 30 Q CB 0.528 29.236 28.738 -0.051 0.000 1.222 30 Q HN -0.507 7.478 8.270 -0.225 0.151 0.400 31 V N 4.756 124.847 119.914 0.296 0.000 2.735 31 V HA 0.338 4.755 4.120 0.275 -0.132 0.310 31 V C -1.671 174.651 176.094 0.380 0.000 1.061 31 V CA -1.845 60.631 62.300 0.294 0.000 0.913 31 V CB 3.141 35.099 31.823 0.225 0.000 1.005 31 V HN 0.001 8.361 8.190 0.284 0.000 0.428 32 M N 5.838 125.606 119.600 0.280 0.000 2.129 32 M HA 0.355 5.024 4.480 0.315 0.000 0.348 32 M C -1.851 174.542 176.300 0.154 0.000 1.116 32 M CA -1.019 54.392 55.300 0.185 0.000 1.022 32 M CB 2.384 34.868 32.600 -0.193 0.000 1.599 32 M HN 0.331 8.736 8.290 0.191 0.000 0.449 33 L N 6.793 128.122 121.223 0.177 0.000 2.278 33 L HA 0.296 4.868 4.340 0.152 -0.142 0.287 33 L C -1.577 175.405 176.870 0.186 0.000 1.072 33 L CA -0.707 54.226 54.840 0.155 0.000 0.819 33 L CB 0.238 42.367 42.059 0.117 0.000 1.176 33 L HN 0.421 8.768 8.230 0.195 0.000 0.435 34 F N 6.353 126.302 119.950 -0.002 0.000 2.427 34 F HA 0.656 5.303 4.527 -0.027 -0.136 0.348 34 F C -2.007 173.783 175.800 -0.016 0.000 1.125 34 F CA -2.186 55.800 58.000 -0.023 0.000 0.989 34 F CB 3.628 42.602 39.000 -0.043 0.000 1.165 34 F HN 0.498 8.949 8.300 0.252 0.000 0.442 35 R N 6.646 126.868 120.500 -0.463 0.000 2.745 35 R HA 0.231 4.447 4.340 -0.206 0.000 0.251 35 R C -0.192 175.796 176.300 -0.521 0.000 1.257 35 R CA -0.556 55.322 56.100 -0.371 0.000 1.102 35 R CB 1.662 31.789 30.300 -0.289 0.000 1.151 35 R HN 0.485 8.449 8.270 -0.509 0.000 0.571 36 S N -0.238 115.380 115.700 -0.137 0.000 2.571 36 S HA 0.056 4.465 4.470 -0.101 0.000 0.297 36 S C -0.666 173.874 174.600 -0.101 0.000 1.234 36 S CA -0.863 57.276 58.200 -0.101 0.000 1.120 36 S CB -1.070 62.092 63.200 -0.064 0.000 0.923 36 S HN -0.183 8.047 8.310 -0.134 0.000 0.504 37 P HA 0.072 4.437 4.420 -0.091 0.000 0.272 37 P C -1.400 175.781 177.300 -0.198 0.000 1.240 37 P CA -0.690 62.342 63.100 -0.112 0.000 0.791 37 P CB 0.914 32.563 31.700 -0.084 0.000 0.978 38 Q N 0.254 119.937 119.800 -0.194 0.000 2.286 38 Q HA -0.067 4.116 4.340 -0.638 -0.226 0.265 38 Q C -0.182 175.621 176.000 -0.329 0.000 1.080 38 Q CA 0.624 56.216 55.803 -0.352 0.000 0.906 38 Q CB 0.105 28.809 28.738 -0.056 0.000 1.227 38 Q HN 0.229 8.426 8.270 -0.121 0.000 0.409 39 E N 2.680 122.544 120.200 -0.560 0.000 2.416 39 E HA 0.228 4.521 4.350 -0.096 0.000 0.280 39 E C -2.793 173.681 176.600 -0.210 0.000 1.055 39 E CA -1.991 54.263 56.400 -0.243 0.000 0.825 39 E CB 2.402 32.022 29.700 -0.133 0.000 1.312 39 E HN -0.106 7.725 8.360 -0.881 0.000 0.452 40 L N 1.859 123.091 121.223 0.014 0.000 2.418 40 L HA -0.068 4.364 4.340 0.154 0.000 0.274 40 L C -1.013 175.889 176.870 0.053 0.000 1.135 40 L CA 1.128 56.023 54.840 0.092 0.000 0.870 40 L CB -0.192 41.940 42.059 0.121 0.000 1.154 40 L HN 0.405 8.658 8.230 0.038 0.000 0.462 41 L N 6.807 128.064 121.223 0.057 0.000 2.200 41 L HA -0.072 4.289 4.340 0.035 0.000 0.200 41 L C -0.181 176.746 176.870 0.095 0.000 1.072 41 L CA 1.491 56.361 54.840 0.050 0.000 0.787 41 L CB 0.688 42.761 42.059 0.023 0.000 0.957 41 L HN 0.231 8.506 8.230 0.075 0.000 0.459 42 c N -5.446 113.229 118.600 0.125 0.000 3.275 42 c HA 0.198 4.861 4.570 0.154 0.000 0.340 42 c C -1.654 172.552 174.090 0.193 0.000 1.366 42 c CA -0.435 55.979 56.329 0.142 0.000 1.227 42 c CB 3.978 46.537 42.510 0.082 0.000 1.512 42 c HN -0.791 7.521 8.230 0.136 0.000 0.461 43 G N -1.689 107.232 108.800 0.202 0.000 2.557 43 G HA2 0.732 4.827 3.960 0.225 0.000 0.292 43 G HA3 0.732 5.013 3.960 0.299 -0.141 0.292 43 G C -2.591 172.422 174.900 0.189 0.000 1.237 43 G CA -1.002 44.239 45.100 0.234 0.000 0.978 43 G HN 0.252 8.651 8.290 0.183 0.000 0.498 44 A N -3.847 119.099 122.820 0.211 0.000 2.483 44 A HA 0.460 5.152 4.320 0.179 -0.265 0.294 44 A C -2.609 175.110 177.584 0.224 0.000 1.077 44 A CA -0.346 51.808 52.037 0.195 0.000 0.633 44 A CB 2.171 21.279 19.000 0.179 0.000 1.318 44 A HN -0.486 7.805 8.150 0.235 0.000 0.455 45 S N -1.987 113.846 115.700 0.222 0.000 2.548 45 S HA 0.865 5.703 4.470 0.288 -0.196 0.276 45 S C -1.892 172.848 174.600 0.233 0.000 1.129 45 S CA -0.658 57.691 58.200 0.248 0.000 0.931 45 S CB 3.480 66.811 63.200 0.219 0.000 1.068 45 S HN 0.033 8.469 8.310 0.210 0.000 0.480 46 L N 7.458 128.834 121.223 0.255 0.000 2.315 46 L HA 0.336 4.808 4.340 0.220 0.000 0.283 46 L C -0.677 176.298 176.870 0.175 0.000 1.089 46 L CA -0.165 54.807 54.840 0.220 0.000 0.833 46 L CB 1.461 43.644 42.059 0.205 0.000 1.170 46 L HN 0.266 8.680 8.230 0.307 0.000 0.442 47 I N -0.511 120.168 120.570 0.182 0.000 4.139 47 I HA 0.546 4.759 4.170 0.071 0.000 0.335 47 I C -0.970 175.238 176.117 0.151 0.000 1.327 47 I CA -0.931 60.447 61.300 0.130 0.000 1.112 47 I CB 1.490 39.562 38.000 0.120 0.000 1.058 47 I HN -0.116 8.230 8.210 0.226 0.000 0.396 48 S N -0.759 115.085 115.700 0.241 0.000 2.694 48 S HA 0.201 4.846 4.470 0.292 0.000 0.273 48 S C -1.023 173.815 174.600 0.396 0.000 1.180 48 S CA 0.124 58.509 58.200 0.308 0.000 0.864 48 S CB 1.520 64.910 63.200 0.316 0.000 1.198 48 S HN -0.798 7.673 8.310 0.269 0.000 0.499 49 D N -2.178 118.453 120.400 0.385 0.000 2.310 49 D HA -0.162 4.705 4.640 0.379 0.000 0.212 49 D C 0.494 176.868 176.300 0.124 0.000 0.965 49 D CA 2.576 56.710 54.000 0.222 0.000 0.879 49 D CB -0.273 40.468 40.800 -0.099 0.000 0.921 49 D HN 0.300 8.876 8.370 0.342 0.000 0.510 50 R N -4.031 116.534 120.500 0.109 0.000 2.531 50 R HA 0.346 4.639 4.340 -0.080 0.000 0.316 50 R C -1.740 174.410 176.300 -0.250 0.000 0.955 50 R CA -0.340 55.703 56.100 -0.096 0.000 1.120 50 R CB 1.905 32.078 30.300 -0.213 0.000 1.361 50 R HN -0.658 7.697 8.270 0.195 0.031 0.534 51 W N -1.478 119.882 121.300 0.101 0.000 2.656 51 W HA 0.661 5.736 4.660 0.096 -0.358 0.327 51 W C -1.569 175.016 176.519 0.110 0.000 1.041 51 W CA -0.824 56.578 57.345 0.094 0.000 1.229 51 W CB 3.419 32.917 29.460 0.064 0.000 1.397 51 W HN -0.561 7.821 8.180 0.337 0.000 0.479 52 V N 2.700 122.834 119.914 0.366 0.000 2.540 52 V HA 0.819 5.458 4.120 0.260 -0.363 0.302 52 V C -1.962 174.304 176.094 0.287 0.000 1.035 52 V CA -1.412 61.053 62.300 0.275 0.000 0.873 52 V CB 3.040 34.984 31.823 0.202 0.000 0.992 52 V HN 0.724 9.146 8.190 0.386 0.000 0.428 53 L N 7.787 129.156 121.223 0.243 0.000 2.309 53 L HA 0.855 5.486 4.340 0.254 -0.139 0.282 53 L C -1.610 175.376 176.870 0.194 0.000 1.036 53 L CA -1.459 53.518 54.840 0.228 0.000 0.806 53 L CB 3.408 45.591 42.059 0.207 0.000 1.220 53 L HN 0.676 9.043 8.230 0.228 0.000 0.429 54 T N 4.946 119.603 114.554 0.171 0.000 2.645 54 T HA 0.464 5.075 4.350 0.120 -0.189 0.300 54 T C -2.114 172.617 174.700 0.052 0.000 1.210 54 T CA -2.573 59.593 62.100 0.108 0.000 1.034 54 T CB 2.416 71.333 68.868 0.081 0.000 1.537 54 T HN 0.310 8.663 8.240 0.189 0.000 0.492 55 A N -0.355 122.431 122.820 -0.058 0.000 2.327 55 A HA 0.286 4.715 4.320 -0.076 -0.155 0.283 55 A C 0.567 177.982 177.584 -0.281 0.000 1.127 55 A CA -1.248 50.687 52.037 -0.171 0.000 0.810 55 A CB 0.783 19.584 19.000 -0.332 0.000 1.066 55 A HN 0.473 8.575 8.150 -0.081 0.000 0.492 56 A N 4.979 127.592 122.820 -0.346 0.000 1.940 56 A HA -0.319 3.789 4.320 -0.352 0.000 0.219 56 A C 1.283 178.605 177.584 -0.438 0.000 1.176 56 A CA 3.124 54.834 52.037 -0.545 0.000 0.631 56 A CB -0.614 17.644 19.000 -1.237 0.000 0.814 56 A HN 0.645 8.635 8.150 -0.320 -0.032 0.446 57 H N -5.083 113.857 119.070 -0.215 0.000 2.521 57 H HA -0.127 4.698 4.556 0.116 -0.199 0.286 57 H C 0.815 176.159 175.328 0.027 0.000 1.034 57 H CA 1.555 57.625 56.048 0.037 0.000 1.278 57 H CB -0.975 28.880 29.762 0.153 0.000 1.386 57 H HN -0.232 8.159 8.280 -0.262 -0.268 0.567 58 c N -1.747 116.611 118.600 -0.404 0.000 2.432 58 c HA -0.219 4.311 4.570 -0.066 0.000 0.282 58 c C -0.057 173.999 174.090 -0.057 0.000 1.388 58 c CA 1.890 58.117 56.329 -0.170 0.000 1.777 58 c CB -0.897 41.504 42.510 -0.182 0.000 1.882 58 c HN -0.733 7.005 8.230 -0.598 0.134 0.520 59 L N -3.506 117.676 121.223 -0.068 0.000 2.313 59 L HA 0.275 4.598 4.340 -0.029 0.000 0.268 59 L C -0.107 176.746 176.870 -0.027 0.000 1.010 59 L CA -1.222 53.594 54.840 -0.039 0.000 0.814 59 L CB 1.740 43.775 42.059 -0.039 0.000 1.304 59 L HN -0.511 7.512 8.230 -0.106 0.143 0.441 60 T N -0.244 114.285 114.554 -0.041 0.000 2.862 60 T HA 0.199 4.519 4.350 -0.050 0.000 0.276 60 T C 1.055 175.728 174.700 -0.044 0.000 0.974 60 T CA -1.905 60.168 62.100 -0.045 0.000 0.966 60 T CB 1.426 70.268 68.868 -0.043 0.000 1.072 60 T HN 0.257 8.852 8.240 -0.040 -0.378 0.538 61 E N 3.719 123.887 120.200 -0.053 0.000 2.110 61 E HA -0.251 4.072 4.350 -0.045 0.000 0.193 61 E C 1.567 178.147 176.600 -0.034 0.000 0.988 61 E CA 4.222 60.592 56.400 -0.049 0.000 0.804 61 E CB -0.152 29.508 29.700 -0.066 0.000 0.745 61 E HN 0.658 8.982 8.360 -0.060 0.000 0.458 62 N N -5.118 113.562 118.700 -0.034 0.000 2.512 62 N HA -0.188 4.538 4.740 -0.023 0.000 0.183 62 N C -0.133 175.362 175.510 -0.025 0.000 1.073 62 N CA 0.759 53.793 53.050 -0.027 0.000 0.911 62 N CB -0.015 38.456 38.487 -0.027 0.000 0.964 62 N HN -0.057 8.300 8.380 -0.038 0.000 0.447 63 D N -2.557 117.825 120.400 -0.030 0.000 2.317 63 D HA 0.003 4.619 4.640 -0.039 0.000 0.211 63 D C -1.437 174.842 176.300 -0.035 0.000 0.966 63 D CA 1.845 55.823 54.000 -0.036 0.000 0.876 63 D CB 0.791 41.566 40.800 -0.041 0.000 0.927 63 D HN -0.564 7.738 8.370 -0.031 0.049 0.519 64 L N -4.129 117.086 121.223 -0.015 0.000 2.327 64 L HA 0.531 5.013 4.340 -0.005 -0.145 0.258 64 L C -1.838 175.060 176.870 0.046 0.000 1.024 64 L CA -0.856 53.989 54.840 0.008 0.000 0.825 64 L CB 4.072 46.140 42.059 0.015 0.000 1.386 64 L HN -0.974 7.204 8.230 -0.011 0.045 0.417 65 L N -3.537 117.749 121.223 0.104 0.000 2.350 65 L HA 0.538 5.019 4.340 0.077 -0.094 0.260 65 L C -1.715 175.232 176.870 0.127 0.000 1.015 65 L CA -1.377 53.533 54.840 0.117 0.000 0.821 65 L CB 4.573 46.730 42.059 0.164 0.000 1.370 65 L HN 0.358 8.669 8.230 0.135 0.000 0.416 66 V N 0.991 120.959 119.914 0.091 0.000 2.398 66 V HA 0.412 4.749 4.120 0.107 -0.153 0.286 66 V C -1.427 174.704 176.094 0.061 0.000 1.026 66 V CA -1.221 61.133 62.300 0.090 0.000 0.868 66 V CB 1.801 33.675 31.823 0.086 0.000 0.982 66 V HN 0.391 8.624 8.190 0.073 0.000 0.443 67 R N 7.267 127.791 120.500 0.039 0.000 2.393 67 R HA 0.681 5.185 4.340 -0.009 -0.170 0.315 67 R C -1.083 175.236 176.300 0.031 0.000 0.952 67 R CA -1.397 54.690 56.100 -0.020 0.000 0.842 67 R CB 1.809 32.011 30.300 -0.163 0.000 1.163 67 R HN 0.496 8.799 8.270 0.053 0.000 0.450 68 I N 1.595 122.199 120.570 0.057 0.000 2.569 68 I HA 0.376 4.629 4.170 0.139 0.000 0.296 68 I C 0.070 176.244 176.117 0.094 0.000 1.028 68 I CA -1.757 59.608 61.300 0.108 0.000 1.082 68 I CB 3.230 41.306 38.000 0.128 0.000 1.264 68 I HN 0.469 8.705 8.210 0.044 0.000 0.429 69 G N 3.847 112.723 108.800 0.125 0.000 2.136 69 G HA2 -0.470 3.561 3.960 0.118 0.000 0.242 69 G HA3 -0.470 3.797 3.960 0.148 -0.218 0.242 69 G C -1.179 173.771 174.900 0.083 0.000 0.989 69 G CA 0.186 45.359 45.100 0.122 0.000 0.682 69 G HN 0.523 8.900 8.290 0.144 0.000 0.522 70 K N -1.647 118.840 120.400 0.145 0.000 2.098 70 K HA 0.131 4.600 4.320 0.024 -0.135 0.257 70 K C -1.673 175.153 176.600 0.377 0.000 0.999 70 K CA -0.058 56.317 56.287 0.147 0.000 0.924 70 K CB 1.130 33.602 32.500 -0.047 0.000 1.028 70 K HN -0.412 7.958 8.250 0.199 0.000 0.466 71 H N 0.865 120.044 119.070 0.181 0.000 1.920 71 H HA 0.199 4.929 4.556 0.289 0.000 0.186 71 H C -0.002 175.513 175.328 0.311 0.000 0.924 71 H CA 1.210 57.392 56.048 0.223 0.000 1.039 71 H CB 2.825 32.611 29.762 0.040 0.000 1.126 71 H HN 0.462 9.341 8.280 0.201 -0.478 0.379 72 S N 0.550 116.298 115.700 0.081 0.000 2.549 72 S HA -0.092 4.508 4.470 -0.040 -0.154 0.286 72 S C 0.877 175.416 174.600 -0.101 0.000 1.314 72 S CA 1.058 59.250 58.200 -0.014 0.000 1.062 72 S CB 0.317 63.496 63.200 -0.034 0.000 0.865 72 S HN -0.491 8.278 8.310 0.136 -0.377 0.498 73 R N 8.183 128.625 120.500 -0.097 0.000 2.062 73 R HA -0.194 3.603 4.340 -0.906 0.000 0.231 73 R C 1.144 177.259 176.300 -0.307 0.000 1.136 73 R CA 2.621 58.508 56.100 -0.354 0.000 0.948 73 R CB 0.117 30.393 30.300 -0.041 0.000 0.845 73 R HN 0.520 8.797 8.270 0.011 0.000 0.430 74 T N -4.061 110.406 114.554 -0.145 0.000 3.015 74 T HA 0.006 4.294 4.350 -0.102 0.000 0.250 74 T C 0.264 174.910 174.700 -0.090 0.000 1.057 74 T CA -0.012 62.031 62.100 -0.096 0.000 1.066 74 T CB 1.289 70.139 68.868 -0.030 0.000 0.959 74 T HN -0.527 7.654 8.240 -0.098 0.000 0.488 75 R N 2.734 123.178 120.500 -0.092 0.000 2.539 75 R HA 0.063 4.386 4.340 -0.029 0.000 0.275 75 R C -0.841 175.412 176.300 -0.078 0.000 1.077 75 R CA -0.090 55.972 56.100 -0.064 0.000 1.097 75 R CB 0.274 30.536 30.300 -0.064 0.000 1.018 75 R HN -0.785 7.426 8.270 -0.100 0.000 0.483 76 Y N 3.571 123.795 120.300 -0.127 0.000 2.455 76 Y HA 0.276 4.873 4.550 -0.180 -0.156 0.398 76 Y C 0.420 176.254 175.900 -0.110 0.000 1.386 76 Y CA -1.075 56.942 58.100 -0.138 0.000 1.816 76 Y CB 1.749 40.140 38.460 -0.115 0.000 1.740 76 Y HN 0.055 8.391 8.280 0.093 0.000 0.612 77 R N 0.814 120.878 120.500 -0.728 0.000 2.633 77 R HA 0.166 4.164 4.340 -0.571 0.000 0.256 77 R C -0.939 175.219 176.300 -0.236 0.000 1.131 77 R CA 0.513 56.345 56.100 -0.447 0.000 0.994 77 R CB 1.179 31.401 30.300 -0.130 0.000 1.261 77 R HN 0.414 8.322 8.270 -0.604 0.000 0.446 78 N N 1.712 120.327 118.700 -0.142 0.000 2.863 78 N HA -0.234 4.487 4.740 -0.032 0.000 0.245 78 N C -1.305 174.148 175.510 -0.094 0.000 1.001 78 N CA 1.729 54.734 53.050 -0.076 0.000 0.901 78 N CB -0.963 37.496 38.487 -0.047 0.000 1.124 78 N HN 0.710 9.029 8.380 -0.100 0.000 0.582 79 I N -3.340 117.122 120.570 -0.180 0.000 3.669 79 I HA 0.004 4.096 4.170 -0.130 0.000 0.255 79 I C -0.935 175.104 176.117 -0.130 0.000 1.144 79 I CA 0.536 61.710 61.300 -0.211 0.000 1.447 79 I CB 2.073 39.814 38.000 -0.433 0.000 1.622 79 I HN -0.583 7.439 8.210 -0.242 0.043 0.435 80 E N 1.602 121.687 120.200 -0.191 0.000 2.374 80 E HA 0.035 4.516 4.350 -0.045 -0.157 0.260 80 E C -0.617 175.968 176.600 -0.025 0.000 1.101 80 E CA -0.401 55.938 56.400 -0.102 0.000 0.907 80 E CB 1.352 30.960 29.700 -0.154 0.000 1.014 80 E HN -0.518 7.670 8.360 -0.287 0.000 0.427 81 K N 0.229 120.647 120.400 0.030 0.000 2.324 81 K HA 0.362 4.724 4.320 0.070 0.000 0.253 81 K C -1.445 175.189 176.600 0.057 0.000 0.932 81 K CA -2.197 54.126 56.287 0.061 0.000 0.799 81 K CB 3.064 35.610 32.500 0.076 0.000 1.154 81 K HN 0.288 8.558 8.250 0.034 0.000 0.425 82 I N 3.192 123.798 120.570 0.061 0.000 2.354 82 I HA 0.591 4.954 4.170 0.032 -0.175 0.292 82 I C -0.297 175.842 176.117 0.037 0.000 0.989 82 I CA -1.022 60.302 61.300 0.040 0.000 1.188 82 I CB 1.654 39.671 38.000 0.029 0.000 1.342 82 I HN 0.289 8.542 8.210 0.071 0.000 0.457 83 S N 8.116 123.838 115.700 0.038 0.000 2.536 83 S HA 0.455 4.938 4.470 0.021 0.000 0.298 83 S C -1.369 173.246 174.600 0.024 0.000 1.083 83 S CA -0.962 57.256 58.200 0.029 0.000 0.995 83 S CB 2.779 65.999 63.200 0.035 0.000 1.058 83 S HN 0.633 8.968 8.310 0.042 0.000 0.488 84 M N 1.817 121.422 119.600 0.008 0.000 2.409 84 M HA 0.131 4.617 4.480 0.010 0.000 0.329 84 M C -0.763 175.528 176.300 -0.016 0.000 1.180 84 M CA -0.157 55.143 55.300 0.000 0.000 1.053 84 M CB 1.935 34.530 32.600 -0.008 0.000 1.586 84 M HN 0.301 8.592 8.290 0.002 0.000 0.461 85 L N -0.011 121.200 121.223 -0.020 0.000 2.275 85 L HA 0.124 4.544 4.340 -0.048 -0.109 0.288 85 L C -0.367 176.466 176.870 -0.062 0.000 1.046 85 L CA -1.010 53.806 54.840 -0.040 0.000 0.805 85 L CB -1.428 40.613 42.059 -0.029 0.000 1.193 85 L HN 0.657 8.879 8.230 -0.014 0.000 0.426 86 E N 4.911 125.059 120.200 -0.087 0.000 2.051 86 E HA -0.152 4.154 4.350 -0.072 0.000 0.189 86 E C -0.022 176.509 176.600 -0.115 0.000 0.979 86 E CA 2.192 58.538 56.400 -0.091 0.000 0.803 86 E CB 1.251 30.891 29.700 -0.101 0.000 0.761 86 E HN 0.431 8.729 8.360 -0.104 0.000 0.451 87 K N -4.701 115.609 120.400 -0.150 0.000 2.557 87 K HA 0.223 4.550 4.320 -0.263 -0.165 0.261 87 K C -2.127 174.294 176.600 -0.299 0.000 0.932 87 K CA -1.033 55.088 56.287 -0.277 0.000 0.829 87 K CB 3.125 35.390 32.500 -0.392 0.000 1.358 87 K HN -0.796 7.372 8.250 -0.137 0.000 0.430 88 I N 3.409 123.755 120.570 -0.373 0.000 2.392 88 I HA 0.419 4.706 4.170 -0.045 -0.144 0.295 88 I C -0.613 175.241 176.117 -0.439 0.000 0.985 88 I CA -0.959 60.209 61.300 -0.220 0.000 1.221 88 I CB 2.249 40.188 38.000 -0.102 0.000 1.366 88 I HN 0.073 8.354 8.210 -0.374 -0.295 0.467 89 Y N 6.206 126.587 120.300 0.136 0.000 2.332 89 Y HA 0.183 4.816 4.550 0.137 0.000 0.326 89 Y C -1.376 174.735 175.900 0.353 0.000 0.978 89 Y CA -0.896 57.328 58.100 0.207 0.000 1.205 89 Y CB 1.399 39.977 38.460 0.197 0.000 1.131 89 Y HN 0.667 9.142 8.280 0.325 0.000 0.462 90 I N 3.184 123.966 120.570 0.353 0.000 2.428 90 I HA 0.075 4.349 4.170 0.172 0.000 0.296 90 I C -0.530 175.666 176.117 0.132 0.000 0.985 90 I CA -1.299 60.124 61.300 0.205 0.000 1.260 90 I CB 1.879 39.944 38.000 0.109 0.000 1.389 90 I HN 0.319 8.690 8.210 0.268 0.000 0.484 91 H N 7.784 126.628 119.070 -0.377 0.000 3.034 91 H HA -0.034 3.799 4.556 -1.206 0.000 0.324 91 H C 0.417 175.638 175.328 -0.179 0.000 1.015 91 H CA 1.042 56.638 56.048 -0.754 0.000 1.429 91 H CB 1.111 30.324 29.762 -0.915 0.000 1.429 91 H HN -0.326 7.797 8.280 -0.262 0.000 0.585 92 P HA 0.022 4.530 4.420 0.147 0.000 0.226 92 P C -0.095 177.322 177.300 0.195 0.000 1.153 92 P CA 1.329 64.492 63.100 0.105 0.000 0.777 92 P CB 0.290 32.031 31.700 0.068 0.000 0.794 93 R N -3.469 117.249 120.500 0.364 0.000 2.552 93 R HA 0.212 4.611 4.340 0.099 0.000 0.314 93 R C -0.970 175.381 176.300 0.085 0.000 1.041 93 R CA -1.250 54.956 56.100 0.176 0.000 1.076 93 R CB 0.296 30.677 30.300 0.134 0.000 1.290 93 R HN -0.543 8.158 8.270 0.771 0.032 0.563 94 Y N 4.031 124.344 120.300 0.022 0.000 2.729 94 Y HA -0.169 4.606 4.550 -0.102 -0.285 0.331 94 Y C -0.613 175.283 175.900 -0.005 0.000 1.208 94 Y CA -0.567 57.526 58.100 -0.012 0.000 1.521 94 Y CB -0.027 38.484 38.460 0.086 0.000 1.233 94 Y HN -0.728 7.711 8.280 0.360 0.057 0.539 95 N N 9.673 128.214 118.700 -0.265 0.000 3.229 95 N HA 0.143 4.560 4.740 -0.539 0.000 0.275 95 N C -0.749 174.409 175.510 -0.588 0.000 1.225 95 N CA -2.415 50.364 53.050 -0.452 0.000 1.119 95 N CB -0.847 37.472 38.487 -0.279 0.000 1.392 95 N HN 0.139 8.470 8.380 -0.083 0.000 0.520 96 W N 2.426 123.226 121.300 -0.833 0.000 2.264 96 W HA -0.055 4.249 4.660 -0.594 0.000 0.445 96 W C -0.713 175.599 176.519 -0.346 0.000 0.720 96 W CA -1.777 55.166 57.345 -0.671 0.000 2.352 96 W CB -2.339 26.705 29.460 -0.694 0.000 0.851 96 W HN -0.490 7.022 8.180 -1.114 0.000 0.582 97 E N 2.282 122.287 120.200 -0.326 0.000 2.485 97 E HA -0.508 3.700 4.350 -0.237 0.000 0.251 97 E C -0.194 176.228 176.600 -0.295 0.000 1.042 97 E CA 3.024 59.264 56.400 -0.268 0.000 1.158 97 E CB 0.214 29.765 29.700 -0.248 0.000 1.065 97 E HN -0.441 7.834 8.360 -0.368 -0.137 0.502 98 N N -3.997 114.515 118.700 -0.313 0.000 2.167 98 N HA 0.002 4.414 4.740 -0.547 0.000 0.234 98 N C -0.596 174.679 175.510 -0.392 0.000 1.312 98 N CA -0.793 52.011 53.050 -0.411 0.000 0.861 98 N CB 1.189 39.489 38.487 -0.311 0.000 1.217 98 N HN -0.510 7.698 8.380 -0.286 0.000 0.504 99 L N -5.522 115.553 121.223 -0.246 0.000 4.040 99 L HA -0.466 3.971 4.340 0.058 -0.062 0.410 99 L C -2.148 174.772 176.870 0.084 0.000 1.187 99 L CA 1.170 55.995 54.840 -0.024 0.000 0.956 99 L CB -1.945 40.099 42.059 -0.025 0.000 2.022 99 L HN -0.123 7.957 8.230 -0.250 0.000 0.897 100 D N -0.985 119.407 120.400 -0.013 0.000 2.472 100 D HA -0.175 4.496 4.640 0.051 0.000 0.237 100 D C 0.186 176.506 176.300 0.034 0.000 1.141 100 D CA 1.577 55.584 54.000 0.011 0.000 0.875 100 D CB 0.905 41.669 40.800 -0.059 0.000 1.192 100 D HN -0.883 7.621 8.370 -0.093 -0.189 0.450 101 R N -2.115 118.374 120.500 -0.018 0.000 3.336 101 R HA -0.434 3.801 4.340 -0.175 0.000 0.260 101 R C -1.235 175.044 176.300 -0.034 0.000 1.032 101 R CA 0.890 56.889 56.100 -0.168 0.000 0.693 101 R CB -1.536 28.433 30.300 -0.551 0.000 1.134 101 R HN 0.630 8.900 8.270 0.001 0.000 0.433 102 D N -1.240 119.211 120.400 0.085 0.000 2.551 102 D HA -0.001 4.608 4.640 -0.052 0.000 0.223 102 D C -1.524 174.750 176.300 -0.043 0.000 1.144 102 D CA -0.204 53.830 54.000 0.057 0.000 1.025 102 D CB -0.486 40.461 40.800 0.245 0.000 1.085 102 D HN -0.134 8.304 8.370 0.114 0.000 0.506 103 I N 2.365 122.843 120.570 -0.153 0.000 2.775 103 I HA 0.483 4.822 4.170 0.015 -0.160 0.295 103 I C -3.237 172.847 176.117 -0.054 0.000 1.287 103 I CA -1.327 59.947 61.300 -0.043 0.000 1.029 103 I CB 4.161 42.187 38.000 0.043 0.000 1.282 103 I HN -0.559 7.502 8.210 -0.250 0.000 0.426 104 A N 5.405 128.310 122.820 0.142 0.000 2.594 104 A HA 0.919 5.624 4.320 0.415 -0.136 0.295 104 A C -2.759 175.067 177.584 0.403 0.000 1.071 104 A CA -1.363 50.845 52.037 0.285 0.000 0.685 104 A CB 3.946 23.013 19.000 0.111 0.000 1.285 104 A HN 0.245 8.494 8.150 0.165 0.000 0.405 105 L N -0.230 121.306 121.223 0.523 0.000 2.333 105 L HA 0.850 5.599 4.340 0.410 -0.162 0.269 105 L C -1.116 176.054 176.870 0.501 0.000 1.010 105 L CA -1.783 53.345 54.840 0.481 0.000 0.818 105 L CB 4.414 46.712 42.059 0.399 0.000 1.306 105 L HN 0.396 9.007 8.230 0.635 0.000 0.430 106 M N -0.160 119.713 119.600 0.455 0.000 2.204 106 M HA 0.570 5.341 4.480 0.229 -0.154 0.293 106 M C -1.736 174.635 176.300 0.118 0.000 0.994 106 M CA -0.872 54.585 55.300 0.261 0.000 0.925 106 M CB 3.575 36.270 32.600 0.157 0.000 1.577 106 M HN 0.566 9.144 8.290 0.481 0.000 0.439 107 K N 4.559 124.868 120.400 -0.153 0.000 2.183 107 K HA 0.713 4.809 4.320 -0.985 -0.367 0.274 107 K C -1.079 175.328 176.600 -0.321 0.000 1.009 107 K CA -1.600 54.297 56.287 -0.650 0.000 0.888 107 K CB 2.756 34.732 32.500 -0.872 0.000 1.078 107 K HN 0.381 8.610 8.250 -0.035 0.000 0.459 108 L N 5.669 126.714 121.223 -0.297 0.000 2.418 108 L HA 0.232 4.648 4.340 -0.102 -0.137 0.265 108 L C 1.339 178.125 176.870 -0.141 0.000 1.143 108 L CA -0.112 54.639 54.840 -0.148 0.000 0.809 108 L CB 0.473 42.480 42.059 -0.086 0.000 1.124 108 L HN 0.526 8.528 8.230 -0.380 0.000 0.456 109 K N 0.026 120.376 120.400 -0.084 0.000 2.097 109 K HA -0.226 4.049 4.320 -0.075 0.000 0.205 109 K C 0.300 176.864 176.600 -0.060 0.000 1.050 109 K CA 3.302 59.549 56.287 -0.067 0.000 0.938 109 K CB 0.580 33.054 32.500 -0.043 0.000 0.718 109 K HN -0.133 8.079 8.250 -0.064 0.000 0.442 110 K N -3.613 116.756 120.400 -0.052 0.000 2.477 110 K HA 0.358 4.650 4.320 -0.047 0.000 0.255 110 K C -2.687 173.886 176.600 -0.044 0.000 0.952 110 K CA -2.655 53.606 56.287 -0.043 0.000 0.826 110 K CB 1.737 34.221 32.500 -0.027 0.000 1.331 110 K HN -0.347 7.874 8.250 -0.047 0.000 0.437 111 P HA 0.006 4.584 4.420 -0.041 -0.183 0.271 111 P C -1.241 176.037 177.300 -0.037 0.000 1.216 111 P CA -0.806 62.264 63.100 -0.049 0.000 0.776 111 P CB 0.524 32.182 31.700 -0.070 0.000 0.881 112 V N 2.133 122.043 119.914 -0.007 0.000 2.509 112 V HA 0.067 4.202 4.120 0.025 0.000 0.284 112 V C -1.029 175.044 176.094 -0.035 0.000 1.047 112 V CA -2.287 60.033 62.300 0.033 0.000 0.952 112 V CB 1.810 33.709 31.823 0.125 0.000 0.988 112 V HN 0.043 8.243 8.190 0.017 0.000 0.469 113 A N 7.189 130.003 122.820 -0.011 0.000 2.401 113 A HA 0.026 4.220 4.320 -0.210 0.000 0.259 113 A C -0.767 176.900 177.584 0.138 0.000 1.103 113 A CA -0.346 51.658 52.037 -0.055 0.000 0.789 113 A CB 0.574 19.568 19.000 -0.010 0.000 1.035 113 A HN -0.037 8.125 8.150 0.020 0.000 0.491 114 F N 1.969 121.948 119.950 0.048 0.000 2.406 114 F HA 0.131 4.801 4.527 0.075 -0.098 0.327 114 F C 0.957 176.798 175.800 0.068 0.000 1.153 114 F CA -1.377 56.665 58.000 0.069 0.000 1.218 114 F CB 0.664 39.710 39.000 0.077 0.000 1.215 114 F HN -0.045 8.160 8.300 -0.157 0.000 0.570 115 S N -0.025 115.832 115.700 0.262 0.000 2.757 115 S HA 0.212 4.733 4.470 0.085 0.000 0.285 115 S C 0.164 174.729 174.600 -0.058 0.000 1.196 115 S CA -0.469 57.790 58.200 0.097 0.000 0.856 115 S CB 2.098 65.372 63.200 0.124 0.000 1.212 115 S HN 0.017 8.488 8.310 0.268 0.000 0.516 116 D N -0.269 119.943 120.400 -0.314 0.000 2.265 116 D HA -0.119 4.291 4.640 -0.383 0.000 0.208 116 D C 0.208 176.113 176.300 -0.659 0.000 0.977 116 D CA 2.508 56.153 54.000 -0.591 0.000 0.871 116 D CB -0.147 40.090 40.800 -0.937 0.000 0.925 116 D HN 0.481 8.662 8.370 -0.316 0.000 0.485 117 Y N -6.035 114.249 120.300 -0.027 0.000 2.444 117 Y HA 0.093 4.584 4.550 -0.097 0.000 0.249 117 Y C -0.698 175.180 175.900 -0.037 0.000 1.134 117 Y CA -0.725 57.343 58.100 -0.053 0.000 1.261 117 Y CB 1.370 39.808 38.460 -0.037 0.000 1.143 117 Y HN -0.706 7.363 8.280 -0.279 0.043 0.523 118 I N -1.027 119.604 120.570 0.102 0.000 2.468 118 I HA 0.436 4.849 4.170 0.089 -0.190 0.284 118 I C -1.868 174.282 176.117 0.055 0.000 1.038 118 I CA -0.707 60.663 61.300 0.116 0.000 1.083 118 I CB 2.035 40.158 38.000 0.206 0.000 1.223 118 I HN -0.880 7.375 8.210 0.075 0.000 0.443 119 H N 8.030 126.989 119.070 -0.185 0.000 3.112 119 H HA 0.304 4.345 4.556 -0.859 0.000 0.347 119 H C -3.182 172.046 175.328 -0.168 0.000 1.188 119 H CA -1.236 54.572 56.048 -0.398 0.000 1.240 119 H CB 4.327 33.968 29.762 -0.203 0.000 1.920 119 H HN 0.015 8.202 8.280 0.004 0.096 0.535 120 P HA 0.178 4.781 4.420 0.012 -0.175 0.277 120 P C -1.421 175.909 177.300 0.050 0.000 1.240 120 P CA -0.966 62.042 63.100 -0.154 0.000 0.798 120 P CB 1.464 33.001 31.700 -0.272 0.000 0.979 121 V N 1.252 121.114 119.914 -0.086 0.000 2.785 121 V HA 0.110 3.751 4.120 -0.797 0.000 0.300 121 V C -0.538 175.358 176.094 -0.331 0.000 1.062 121 V CA -1.851 60.105 62.300 -0.574 0.000 1.029 121 V CB 2.365 33.552 31.823 -1.060 0.000 1.024 121 V HN -0.178 8.003 8.190 -0.016 0.000 0.477 122 C N 6.113 125.165 119.300 -0.413 0.000 2.534 122 C HA 0.070 4.417 4.460 -0.189 0.000 0.385 122 C C -0.642 174.290 174.990 -0.097 0.000 1.264 122 C CA 0.684 59.514 59.018 -0.313 0.000 2.342 122 C CB 0.099 27.407 27.740 -0.720 0.000 2.564 122 C HN -0.136 7.769 8.230 -0.542 0.000 0.603 123 L N 2.153 123.420 121.223 0.072 0.000 2.322 123 L HA 0.361 4.823 4.340 0.203 0.000 0.279 123 L C -1.656 175.437 176.870 0.371 0.000 1.036 123 L CA -2.359 52.603 54.840 0.203 0.000 0.807 123 L CB 0.600 42.745 42.059 0.144 0.000 1.226 123 L HN 0.237 8.501 8.230 0.057 0.000 0.433 124 P HA 0.037 4.484 4.420 0.046 0.000 0.274 124 P C -1.501 175.919 177.300 0.200 0.000 1.231 124 P CA -0.850 62.353 63.100 0.173 0.000 0.790 124 P CB 0.819 32.561 31.700 0.070 0.000 0.951 125 D N 0.732 121.138 120.400 0.009 0.000 2.549 125 D HA 0.108 4.901 4.640 0.256 0.000 0.270 125 D C 0.906 176.906 176.300 -0.500 0.000 1.181 125 D CA -2.188 51.814 54.000 0.004 0.000 1.070 125 D CB 1.144 41.957 40.800 0.021 0.000 1.154 125 D HN -0.299 8.009 8.370 -0.103 0.000 0.602 126 R N -1.770 118.383 120.500 -0.578 0.000 2.091 126 R HA -0.395 2.606 4.340 -2.231 0.000 0.238 126 R C 2.121 178.058 176.300 -0.606 0.000 1.136 126 R CA 4.101 59.587 56.100 -1.023 0.000 0.959 126 R CB 0.033 30.137 30.300 -0.327 0.000 0.856 126 R HN 0.362 8.515 8.270 -0.195 0.000 0.437 127 E N -2.547 117.441 120.200 -0.353 0.000 2.106 127 E HA -0.163 4.047 4.350 -0.234 0.000 0.192 127 E C 0.608 177.027 176.600 -0.301 0.000 0.984 127 E CA 1.971 58.215 56.400 -0.260 0.000 0.806 127 E CB -0.261 29.336 29.700 -0.172 0.000 0.750 127 E HN -0.547 7.736 8.360 -0.286 -0.094 0.458 128 T N 1.744 116.076 114.554 -0.369 0.000 2.792 128 T HA -0.266 3.832 4.350 -0.421 0.000 0.286 128 T C 0.572 175.048 174.700 -0.373 0.000 0.970 128 T CA 2.990 64.826 62.100 -0.439 0.000 1.187 128 T CB -0.745 67.744 68.868 -0.632 0.000 0.915 128 T HN -0.437 7.875 8.240 -0.367 -0.292 0.529 129 L N -0.310 120.809 121.223 -0.174 0.000 2.208 129 L HA -0.382 4.017 4.340 0.099 0.000 0.478 129 L C -0.519 176.219 176.870 -0.220 0.000 0.724 129 L CA 1.693 56.483 54.840 -0.084 0.000 2.975 129 L CB -1.657 40.358 42.059 -0.073 0.000 0.837 129 L HN 0.346 8.453 8.230 -0.205 0.000 0.703 130 L N -1.020 120.014 121.223 -0.315 0.000 2.480 130 L HA -0.005 4.083 4.340 -0.419 0.000 0.243 130 L C -1.095 175.536 176.870 -0.399 0.000 1.315 130 L CA -0.199 54.406 54.840 -0.391 0.000 1.231 130 L CB -2.227 39.588 42.059 -0.406 0.000 1.444 130 L HN -0.045 8.010 8.230 -0.293 0.000 0.409 131 Q N -0.144 119.357 119.800 -0.499 0.000 2.353 131 Q HA 0.220 4.324 4.340 -0.393 0.000 0.268 131 Q C -0.982 174.818 176.000 -0.334 0.000 1.045 131 Q CA -2.023 53.459 55.803 -0.534 0.000 0.811 131 Q CB 3.866 31.996 28.738 -1.013 0.000 1.305 131 Q HN -0.642 7.291 8.270 -0.503 0.036 0.447 132 A N 2.886 125.581 122.820 -0.208 0.000 2.567 132 A HA -0.473 3.916 4.320 -0.108 -0.133 0.240 132 A C 0.797 178.373 177.584 -0.012 0.000 1.053 132 A CA 1.367 53.340 52.037 -0.106 0.000 0.755 132 A CB -0.380 18.566 19.000 -0.089 0.000 0.978 132 A HN 0.508 8.535 8.150 -0.205 0.000 0.507 133 G N 4.281 113.099 108.800 0.030 0.000 2.299 133 G HA2 -0.415 3.612 3.960 0.113 0.000 0.237 133 G HA3 -0.415 3.577 3.960 0.053 0.000 0.237 133 G C -0.320 174.687 174.900 0.180 0.000 1.027 133 G CA -0.187 44.970 45.100 0.096 0.000 0.619 133 G HN 0.457 8.743 8.290 -0.007 0.000 0.513 134 Y N 2.376 122.641 120.300 -0.057 0.000 2.511 134 Y HA -0.140 4.382 4.550 -0.047 0.000 0.332 134 Y C -0.484 175.397 175.900 -0.032 0.000 1.177 134 Y CA -0.150 57.918 58.100 -0.053 0.000 1.422 134 Y CB 0.508 38.922 38.460 -0.077 0.000 1.271 134 Y HN -0.508 7.926 8.280 0.379 0.074 0.550 135 K N 1.689 122.122 120.400 0.054 0.000 2.130 135 K HA 0.417 4.934 4.320 0.053 -0.166 0.268 135 K C -0.256 176.327 176.600 -0.029 0.000 0.983 135 K CA -0.755 55.544 56.287 0.020 0.000 0.893 135 K CB 2.386 34.877 32.500 -0.015 0.000 1.066 135 K HN 0.043 8.278 8.250 -0.024 0.000 0.450 136 G N -0.048 108.657 108.800 -0.158 0.000 3.013 136 G HA2 0.653 3.774 3.960 -1.406 0.000 0.278 136 G HA3 0.653 4.459 3.960 -0.375 -0.071 0.278 136 G C -2.705 171.811 174.900 -0.641 0.000 1.353 136 G CA -1.576 43.128 45.100 -0.660 0.000 1.043 136 G HN 0.066 8.323 8.290 -0.056 0.000 0.523 137 R N -0.880 119.218 120.500 -0.669 0.000 2.575 137 R HA 0.817 5.203 4.340 -0.208 -0.171 0.293 137 R C -1.945 174.202 176.300 -0.255 0.000 0.983 137 R CA -1.020 54.907 56.100 -0.289 0.000 0.887 137 R CB 3.836 34.106 30.300 -0.050 0.000 1.184 137 R HN 0.132 7.926 8.270 -0.793 0.000 0.445 138 V N 7.959 127.824 119.914 -0.081 0.000 2.628 138 V HA 0.945 5.332 4.120 0.092 -0.212 0.306 138 V C -1.159 174.946 176.094 0.018 0.000 1.045 138 V CA -2.154 60.183 62.300 0.061 0.000 0.905 138 V CB 3.563 35.515 31.823 0.215 0.000 0.997 138 V HN 0.675 8.832 8.190 -0.054 0.000 0.436 139 T N 1.386 115.943 114.554 0.006 0.000 2.906 139 T HA 0.968 5.443 4.350 -0.123 -0.199 0.295 139 T C -1.019 173.597 174.700 -0.140 0.000 1.061 139 T CA -2.478 59.558 62.100 -0.108 0.000 1.000 139 T CB 3.377 72.145 68.868 -0.166 0.000 1.103 139 T HN -0.156 8.114 8.240 0.050 0.000 0.486 140 G N -0.015 108.614 108.800 -0.285 0.000 2.328 140 G HA2 0.251 4.348 3.960 -0.080 0.000 0.295 140 G HA3 0.251 3.982 3.960 -0.382 0.000 0.295 140 G C -2.192 172.505 174.900 -0.340 0.000 1.413 140 G CA 0.600 45.533 45.100 -0.279 0.000 0.817 140 G HN -0.155 7.933 8.290 -0.337 0.000 0.546 141 W N 0.161 121.483 121.300 0.036 0.000 3.102 141 W HA 0.326 4.987 4.660 0.001 0.000 0.401 141 W C -0.555 175.985 176.519 0.035 0.000 1.070 141 W CA -0.911 56.447 57.345 0.020 0.000 1.921 141 W CB 0.479 29.950 29.460 0.019 0.000 1.118 141 W HN 0.577 8.919 8.180 0.270 0.000 0.647 142 G N -0.286 108.633 108.800 0.199 0.000 2.653 142 G HA2 -0.078 4.072 3.960 0.130 0.000 0.265 142 G HA3 -0.078 4.016 3.960 0.165 -0.035 0.265 142 G C -0.755 174.211 174.900 0.111 0.000 1.237 142 G CA -0.560 44.630 45.100 0.150 0.000 0.946 142 G HN -0.381 8.269 8.290 0.151 -0.270 0.522 143 N N -1.133 117.622 118.700 0.091 0.000 2.395 143 N HA -0.247 4.661 4.740 0.071 -0.125 0.246 143 N C 0.507 176.052 175.510 0.059 0.000 1.246 143 N CA 0.814 53.907 53.050 0.071 0.000 0.879 143 N CB -0.064 38.459 38.487 0.061 0.000 1.098 143 N HN -0.055 8.380 8.380 0.092 0.000 0.444 144 L N 0.257 121.510 121.223 0.050 0.000 2.418 144 L HA -0.041 4.540 4.340 0.040 -0.217 0.218 144 L C 0.401 177.293 176.870 0.036 0.000 1.125 144 L CA 1.248 56.112 54.840 0.040 0.000 0.835 144 L CB 0.463 42.543 42.059 0.035 0.000 0.953 144 L HN 0.599 8.859 8.230 0.050 0.000 0.454 145 K N -4.670 115.752 120.400 0.037 0.000 2.508 145 K HA 0.165 4.503 4.320 0.031 0.000 0.260 145 K C -0.812 175.809 176.600 0.033 0.000 0.949 145 K CA -1.018 55.288 56.287 0.032 0.000 0.834 145 K CB 2.358 34.874 32.500 0.027 0.000 1.365 145 K HN -0.717 7.557 8.250 0.039 0.000 0.437 146 E N 1.777 121.996 120.200 0.030 0.000 2.085 146 E HA -0.265 4.106 4.350 0.035 0.000 0.194 146 E C 0.258 176.875 176.600 0.028 0.000 0.994 146 E CA 2.537 58.955 56.400 0.031 0.000 0.801 146 E CB 0.394 30.110 29.700 0.027 0.000 0.743 146 E HN 0.456 8.833 8.360 0.028 0.000 0.453 151 Q N 1.426 121.254 119.800 0.045 0.000 2.342 151 Q HA 0.378 4.759 4.340 0.069 0.000 0.267 151 Q C -2.001 174.035 176.000 0.061 0.000 1.038 151 Q CA -2.747 53.093 55.803 0.061 0.000 0.832 151 Q CB 1.736 30.512 28.738 0.064 0.000 1.323 151 Q HN -0.150 8.145 8.270 0.040 0.000 0.448 152 P HA 0.123 4.572 4.420 0.048 0.000 0.277 152 P C -0.285 177.060 177.300 0.076 0.000 1.240 152 P CA -0.692 62.450 63.100 0.070 0.000 0.798 152 P CB 1.328 33.073 31.700 0.075 0.000 0.979 153 S N 0.243 115.969 115.700 0.042 0.000 2.371 153 S HA -0.169 4.318 4.470 0.029 0.000 0.224 153 S C -0.634 173.979 174.600 0.020 0.000 1.029 153 S CA 1.928 60.144 58.200 0.027 0.000 0.978 153 S CB 0.198 63.405 63.200 0.012 0.000 0.833 153 S HN 0.516 8.843 8.310 0.030 0.000 0.466 154 V N -5.942 113.960 119.914 -0.019 0.000 3.141 154 V HA 0.670 4.903 4.120 -0.053 -0.145 0.312 154 V C -0.530 175.487 176.094 -0.128 0.000 1.157 154 V CA -3.151 59.058 62.300 -0.151 0.000 1.041 154 V CB 2.735 34.226 31.823 -0.554 0.000 1.071 154 V HN -0.860 7.317 8.190 -0.021 0.000 0.441 155 L N 0.647 121.708 121.223 -0.270 0.000 2.593 155 L HA -0.183 3.524 4.340 -1.055 0.000 0.287 155 L C -0.769 175.891 176.870 -0.351 0.000 1.243 155 L CA 1.303 55.776 54.840 -0.612 0.000 0.890 155 L CB 0.550 42.243 42.059 -0.610 0.000 1.134 155 L HN -0.043 8.036 8.230 -0.251 0.000 0.502 156 Q N 4.981 124.585 119.800 -0.327 0.000 2.257 156 Q HA 0.830 5.277 4.340 -0.125 -0.182 0.262 156 Q C -1.305 174.600 176.000 -0.157 0.000 0.997 156 Q CA -1.902 53.800 55.803 -0.168 0.000 0.873 156 Q CB 3.138 31.817 28.738 -0.098 0.000 1.312 156 Q HN 0.066 8.086 8.270 -0.416 0.000 0.450 157 V N 1.317 121.177 119.914 -0.089 0.000 2.789 157 V HA 0.843 5.089 4.120 -0.078 -0.173 0.311 157 V C -2.843 173.241 176.094 -0.016 0.000 1.073 157 V CA -2.690 59.571 62.300 -0.066 0.000 0.921 157 V CB 3.791 35.569 31.823 -0.075 0.000 1.009 157 V HN 0.396 8.548 8.190 -0.065 0.000 0.426 158 V N 4.768 124.685 119.914 0.004 0.000 2.932 158 V HA 0.266 4.413 4.120 0.046 0.000 0.307 158 V C -3.041 173.075 176.094 0.036 0.000 1.147 158 V CA -2.367 59.959 62.300 0.043 0.000 0.951 158 V CB 4.336 36.205 31.823 0.076 0.000 1.031 158 V HN 0.543 8.730 8.190 -0.004 0.000 0.426 159 N N 6.597 125.333 118.700 0.059 0.000 2.421 159 N HA 0.682 5.590 4.740 -0.031 -0.186 0.285 159 N C -0.806 174.737 175.510 0.054 0.000 1.027 159 N CA -0.894 52.175 53.050 0.031 0.000 0.918 159 N CB 1.668 40.186 38.487 0.052 0.000 1.152 159 N HN 0.147 8.579 8.380 0.085 0.000 0.485 160 L N 1.395 122.603 121.223 -0.025 0.000 2.422 160 L HA 0.545 4.691 4.340 -0.324 0.000 0.264 160 L C -3.138 173.674 176.870 -0.096 0.000 0.984 160 L CA -2.811 51.955 54.840 -0.124 0.000 0.819 160 L CB 3.661 45.734 42.059 0.022 0.000 1.330 160 L HN 0.516 8.712 8.230 -0.058 0.000 0.410 161 P HA 0.240 4.794 4.420 -0.021 -0.146 0.284 161 P C -0.628 176.649 177.300 -0.039 0.000 1.253 161 P CA -1.210 61.825 63.100 -0.109 0.000 0.800 161 P CB 0.570 32.168 31.700 -0.170 0.000 0.961 162 I N 2.444 123.023 120.570 0.014 0.000 2.692 162 I HA -0.178 4.087 4.170 -0.060 -0.131 0.284 162 I C 0.127 176.181 176.117 -0.106 0.000 1.159 162 I CA 1.441 62.704 61.300 -0.060 0.000 1.423 162 I CB 0.459 38.380 38.000 -0.132 0.000 1.380 162 I HN 0.168 8.412 8.210 0.057 0.000 0.580 163 V N 6.563 126.378 119.914 -0.164 0.000 2.630 163 V HA 0.187 4.189 4.120 -0.196 0.000 0.305 163 V C -0.316 175.663 176.094 -0.191 0.000 1.046 163 V CA -1.483 60.674 62.300 -0.238 0.000 0.934 163 V CB 2.275 33.805 31.823 -0.488 0.000 1.003 163 V HN -0.063 8.030 8.190 -0.163 0.000 0.451 164 E N 4.709 124.813 120.200 -0.161 0.000 2.452 164 E HA -0.154 4.139 4.350 -0.095 0.000 0.261 164 E C 0.910 177.449 176.600 -0.101 0.000 0.987 164 E CA 0.937 57.272 56.400 -0.109 0.000 0.926 164 E CB 0.443 30.096 29.700 -0.080 0.000 0.934 164 E HN 0.212 8.476 8.360 -0.159 0.000 0.452 165 R N 4.213 124.682 120.500 -0.051 0.000 2.091 165 R HA -0.253 4.083 4.340 -0.006 0.000 0.238 165 R C -0.147 176.158 176.300 0.008 0.000 1.136 165 R CA 5.429 61.524 56.100 -0.007 0.000 0.959 165 R CB -1.854 28.462 30.300 0.027 0.000 0.856 165 R HN 0.551 8.794 8.270 -0.045 0.000 0.437 166 P HA -0.120 4.319 4.420 0.032 0.000 0.216 166 P C 1.239 178.546 177.300 0.012 0.000 1.150 166 P CA 3.031 66.140 63.100 0.015 0.000 0.837 166 P CB -0.671 31.034 31.700 0.008 0.000 0.786 167 V N -1.568 118.325 119.914 -0.034 0.000 2.295 167 V HA -0.456 3.664 4.120 -0.000 0.000 0.246 167 V C 1.516 177.574 176.094 -0.059 0.000 1.049 167 V CA 3.861 66.126 62.300 -0.059 0.000 1.024 167 V CB -0.585 31.150 31.823 -0.146 0.000 0.648 167 V HN -0.677 7.480 8.190 -0.055 0.000 0.447 168 c N -1.893 116.639 118.600 -0.112 0.000 2.413 168 c HA -0.325 4.213 4.570 -0.053 0.000 0.276 168 c C 2.946 177.186 174.090 0.250 0.000 1.236 168 c CA 3.345 59.679 56.329 0.008 0.000 1.735 168 c CB -2.000 40.488 42.510 -0.037 0.000 2.031 168 c HN -0.448 7.694 8.230 -0.146 0.000 0.474 169 K N 0.308 120.812 120.400 0.174 0.000 2.057 169 K HA -0.272 4.175 4.320 0.213 0.000 0.206 169 K C 2.008 178.699 176.600 0.151 0.000 1.050 169 K CA 3.268 59.659 56.287 0.173 0.000 0.935 169 K CB -0.185 32.382 32.500 0.112 0.000 0.715 169 K HN -0.130 8.189 8.250 0.115 0.000 0.439 170 D N -2.117 118.358 120.400 0.125 0.000 2.363 170 D HA 0.003 4.702 4.640 0.099 0.000 0.220 170 D C 0.967 177.357 176.300 0.150 0.000 0.994 170 D CA 2.082 56.150 54.000 0.114 0.000 0.890 170 D CB -0.183 40.669 40.800 0.087 0.000 0.906 170 D HN -0.303 8.131 8.370 0.108 0.000 0.530 171 S N -3.108 112.721 115.700 0.216 0.000 2.548 171 S HA 0.002 4.604 4.470 0.220 0.000 0.215 171 S C 0.162 174.898 174.600 0.227 0.000 0.976 171 S CA 0.676 59.032 58.200 0.260 0.000 0.908 171 S CB 1.005 64.464 63.200 0.433 0.000 0.781 171 S HN -0.574 7.823 8.310 0.241 0.057 0.519 172 T N 1.645 116.324 114.554 0.207 0.000 2.868 172 T HA 0.188 4.636 4.350 0.163 0.000 0.306 172 T C -0.754 174.011 174.700 0.109 0.000 1.224 172 T CA -1.542 60.665 62.100 0.180 0.000 1.012 172 T CB 2.155 71.172 68.868 0.248 0.000 1.221 172 T HN -0.765 7.541 8.240 0.195 0.050 0.499 173 R N 2.845 123.385 120.500 0.065 0.000 2.276 173 R HA 0.104 4.459 4.340 0.026 0.000 0.196 173 R C 0.531 176.817 176.300 -0.023 0.000 0.961 173 R CA 0.383 56.494 56.100 0.019 0.000 1.024 173 R CB 0.283 30.585 30.300 0.002 0.000 0.940 173 R HN 0.207 8.517 8.270 0.066 0.000 0.480 174 I N 0.487 121.030 120.570 -0.046 0.000 2.634 174 I HA -0.114 3.946 4.170 -0.184 0.000 0.284 174 I C -0.134 175.928 176.117 -0.092 0.000 1.124 174 I CA -0.756 60.448 61.300 -0.160 0.000 1.417 174 I CB 0.450 38.206 38.000 -0.407 0.000 1.396 174 I HN -0.632 7.535 8.210 -0.003 0.041 0.571 175 R N 5.006 125.436 120.500 -0.116 0.000 2.296 175 R HA -0.105 4.222 4.340 -0.021 0.000 0.323 175 R C -1.059 175.225 176.300 -0.026 0.000 1.067 175 R CA 0.008 56.075 56.100 -0.056 0.000 0.946 175 R CB -0.133 30.126 30.300 -0.068 0.000 0.991 175 R HN 0.111 8.287 8.270 -0.156 0.000 0.448 176 I N 5.529 126.127 120.570 0.048 0.000 2.396 176 I HA 0.082 4.337 4.170 0.140 0.000 0.292 176 I C 0.628 176.807 176.117 0.103 0.000 0.999 176 I CA -2.677 58.697 61.300 0.123 0.000 1.310 176 I CB -0.146 37.984 38.000 0.216 0.000 1.404 176 I HN 0.186 8.430 8.210 0.057 0.000 0.496 177 T N 1.698 116.323 114.554 0.119 0.000 2.938 177 T HA 0.224 4.612 4.350 0.063 0.000 0.285 177 T C 0.485 175.254 174.700 0.116 0.000 1.028 177 T CA -2.063 60.088 62.100 0.085 0.000 1.005 177 T CB 3.412 72.307 68.868 0.046 0.000 1.157 177 T HN -0.174 8.156 8.240 0.151 0.000 0.550 178 D N -0.110 120.334 120.400 0.072 0.000 2.350 178 D HA -0.095 4.606 4.640 0.101 0.000 0.216 178 D C 0.530 176.868 176.300 0.063 0.000 0.968 178 D CA 2.323 56.362 54.000 0.066 0.000 0.894 178 D CB -0.453 40.353 40.800 0.009 0.000 0.909 178 D HN 0.354 8.752 8.370 0.045 0.000 0.520 179 N N -2.180 116.564 118.700 0.073 0.000 2.370 179 N HA 0.033 4.802 4.740 0.048 0.000 0.198 179 N C -1.493 174.158 175.510 0.234 0.000 1.156 179 N CA 0.298 53.406 53.050 0.096 0.000 0.839 179 N CB 0.498 39.001 38.487 0.027 0.000 0.989 179 N HN -0.518 7.858 8.380 0.065 0.044 0.468 180 M N -1.930 117.843 119.600 0.289 0.000 2.572 180 M HA 0.840 5.681 4.480 0.249 -0.212 0.299 180 M C -2.021 174.506 176.300 0.378 0.000 1.205 180 M CA -0.443 55.041 55.300 0.307 0.000 0.876 180 M CB 5.141 37.953 32.600 0.355 0.000 1.728 180 M HN -0.637 7.737 8.290 0.267 0.077 0.458 181 F N -2.983 117.046 119.950 0.133 0.000 2.650 181 F HA 0.644 5.172 4.527 0.003 0.000 0.320 181 F C -2.848 172.829 175.800 -0.206 0.000 1.091 181 F CA -1.899 56.079 58.000 -0.037 0.000 0.962 181 F CB 2.782 41.690 39.000 -0.152 0.000 1.363 181 F HN 0.106 8.293 8.300 -0.190 0.000 0.482 182 c N -2.250 116.208 118.600 -0.235 0.000 2.614 182 c HA 1.059 5.409 4.570 -0.628 -0.157 0.320 182 c C -1.837 172.114 174.090 -0.231 0.000 1.200 182 c CA -3.841 52.134 56.329 -0.589 0.000 1.700 182 c CB 3.692 45.411 42.510 -1.319 0.000 2.275 182 c HN 0.364 8.543 8.230 -0.085 0.000 0.492 183 A N 1.225 123.964 122.820 -0.136 0.000 2.488 183 A HA 0.747 5.152 4.320 -0.077 -0.131 0.298 183 A C -2.401 175.251 177.584 0.114 0.000 1.044 183 A CA -0.975 51.042 52.037 -0.034 0.000 0.693 183 A CB 3.249 22.199 19.000 -0.084 0.000 1.272 183 A HN 0.159 8.255 8.150 -0.090 0.000 0.402 184 Y N 2.395 122.812 120.300 0.196 0.000 2.336 184 Y HA -0.117 4.677 4.550 0.170 -0.142 0.331 184 Y C 0.436 176.462 175.900 0.211 0.000 1.211 184 Y CA -0.141 58.059 58.100 0.168 0.000 1.346 184 Y CB 1.523 40.038 38.460 0.092 0.000 1.271 184 Y HN -0.002 8.402 8.280 0.206 0.000 0.538 185 K N -0.479 120.151 120.400 0.384 0.000 2.418 185 K HA -0.028 4.498 4.320 0.344 0.000 0.195 185 K C -0.022 176.682 176.600 0.173 0.000 1.035 185 K CA -0.031 56.434 56.287 0.296 0.000 1.003 185 K CB 0.092 32.742 32.500 0.251 0.000 0.793 185 K HN 0.304 8.778 8.250 0.373 0.000 0.494 186 K N -1.984 118.194 120.400 -0.370 0.000 2.239 186 K HA -0.424 3.678 4.320 -0.363 0.000 0.548 186 K C -1.318 175.054 176.600 -0.380 0.000 2.173 186 K CA 1.252 57.187 56.287 -0.588 0.000 1.637 186 K CB -0.412 31.337 32.500 -1.252 0.000 1.787 186 K HN -0.064 7.929 8.250 -0.429 0.000 0.739 187 R N -0.110 120.301 120.500 -0.147 0.000 2.885 187 R HA 0.151 4.592 4.340 0.168 0.000 0.260 187 R C -1.474 174.954 176.300 0.213 0.000 1.107 187 R CA -1.060 55.097 56.100 0.095 0.000 0.978 187 R CB 3.315 33.636 30.300 0.036 0.000 1.227 187 R HN -0.005 8.169 8.270 -0.159 0.000 0.473 188 G N -1.270 107.638 108.800 0.180 0.000 2.326 188 G HA2 -0.132 3.944 3.960 0.194 0.000 0.478 188 G HA3 -0.132 4.149 3.960 0.118 -0.251 0.478 188 G C -2.404 172.582 174.900 0.144 0.000 1.551 188 G CA -0.259 44.938 45.100 0.161 0.000 0.946 188 G HN 0.245 8.959 8.290 0.145 -0.337 0.671 189 D N -0.251 120.218 120.400 0.115 0.000 2.694 189 D HA 0.220 4.947 4.640 0.144 0.000 0.260 189 D C -2.108 174.256 176.300 0.107 0.000 1.250 189 D CA -0.385 53.683 54.000 0.114 0.000 0.763 189 D CB 3.654 44.497 40.800 0.072 0.000 1.311 189 D HN -0.390 8.042 8.370 0.103 0.000 0.420 190 A N -0.375 122.517 122.820 0.120 0.000 2.327 190 A HA 0.084 4.565 4.320 0.100 -0.102 0.255 190 A C -1.715 175.909 177.584 0.067 0.000 1.099 190 A CA -0.189 51.906 52.037 0.098 0.000 0.801 190 A CB 1.352 20.413 19.000 0.102 0.000 1.062 190 A HN 0.425 8.661 8.150 0.142 0.000 0.496 191 c N -2.498 116.145 118.600 0.071 0.000 3.316 191 c HA 0.278 4.882 4.570 0.057 0.000 0.360 191 c C -1.363 172.776 174.090 0.081 0.000 1.560 191 c CA -0.951 55.417 56.329 0.066 0.000 1.229 191 c CB 3.541 46.087 42.510 0.060 0.000 1.823 191 c HN -0.057 8.477 8.230 0.081 -0.255 0.440 192 E N 1.503 121.749 120.200 0.077 0.000 2.652 192 E HA -0.355 4.052 4.350 0.094 0.000 0.255 192 E C 0.309 176.973 176.600 0.106 0.000 0.952 192 E CA 2.128 58.580 56.400 0.087 0.000 0.947 192 E CB 0.383 30.126 29.700 0.071 0.000 0.912 192 E HN 0.636 9.036 8.360 0.067 0.000 0.489 193 G N 7.102 115.979 108.800 0.127 0.000 2.232 193 G HA2 -0.351 3.701 3.960 0.154 0.000 0.226 193 G HA3 -0.351 3.699 3.960 0.150 0.000 0.226 193 G C 0.386 175.394 174.900 0.179 0.000 0.996 193 G CA 0.899 46.091 45.100 0.153 0.000 0.626 193 G HN 0.867 9.237 8.290 0.133 0.000 0.509 194 D N 1.040 121.533 120.400 0.155 0.000 2.366 194 D HA 0.120 4.856 4.640 0.160 0.000 0.205 194 D C -0.205 176.192 176.300 0.162 0.000 1.022 194 D CA 1.150 55.240 54.000 0.150 0.000 0.868 194 D CB 0.877 41.748 40.800 0.118 0.000 0.953 194 D HN 0.086 8.475 8.370 0.139 0.064 0.514 195 S N -2.541 113.268 115.700 0.180 0.000 2.579 195 S HA -0.153 4.430 4.470 0.188 0.000 0.275 195 S C 1.002 175.696 174.600 0.158 0.000 1.345 195 S CA 1.295 59.627 58.200 0.221 0.000 1.031 195 S CB 0.021 63.454 63.200 0.388 0.000 0.892 195 S HN -0.464 7.956 8.310 0.184 0.000 0.529 196 G N 3.552 112.423 108.800 0.118 0.000 2.253 196 G HA2 -0.432 3.656 3.960 0.026 0.000 0.251 196 G HA3 -0.432 3.614 3.960 0.031 -0.067 0.251 196 G C -0.206 174.778 174.900 0.140 0.000 0.998 196 G CA 0.536 45.674 45.100 0.064 0.000 0.621 196 G HN 0.515 8.899 8.290 0.157 0.000 0.524 197 G N 0.791 109.695 108.800 0.172 0.000 2.616 197 G HA2 0.338 4.407 3.960 0.182 0.000 0.268 197 G HA3 0.338 4.482 3.960 0.194 -0.067 0.268 197 G C -2.737 172.304 174.900 0.234 0.000 1.213 197 G CA -2.003 43.213 45.100 0.194 0.000 0.926 197 G HN -0.491 7.829 8.290 0.170 0.072 0.523 198 P HA 0.307 5.029 4.420 0.281 -0.134 0.288 198 P C -2.022 175.469 177.300 0.319 0.000 1.267 198 P CA -1.313 61.949 63.100 0.270 0.000 0.815 198 P CB 1.389 33.231 31.700 0.238 0.000 0.989 199 F N 4.415 124.481 119.950 0.194 0.000 2.361 199 F HA 0.607 5.400 4.527 0.110 -0.200 0.364 199 F C -1.553 174.331 175.800 0.139 0.000 1.117 199 F CA -2.216 55.861 58.000 0.128 0.000 1.071 199 F CB 2.607 41.610 39.000 0.004 0.000 1.188 199 F HN -0.045 8.543 8.300 0.481 0.000 0.464 200 V N 3.842 123.722 119.914 -0.057 0.000 2.919 200 V HA 0.989 5.384 4.120 0.165 -0.175 0.316 200 V C -1.999 174.141 176.094 0.077 0.000 1.077 200 V CA -3.501 58.862 62.300 0.104 0.000 0.977 200 V CB 3.451 35.389 31.823 0.192 0.000 1.039 200 V HN 0.571 8.642 8.190 -0.197 0.000 0.441 201 M N 0.911 120.629 119.600 0.195 0.000 2.446 201 M HA 0.366 4.863 4.480 0.027 0.000 0.294 201 M C -1.903 174.351 176.300 -0.076 0.000 1.158 201 M CA -0.475 54.862 55.300 0.062 0.000 0.899 201 M CB 4.629 37.250 32.600 0.035 0.000 1.687 201 M HN 0.245 8.676 8.290 0.235 0.000 0.455 202 K N 3.031 123.126 120.400 -0.508 0.000 2.264 202 K HA 0.246 4.201 4.320 -0.870 -0.157 0.277 202 K C -0.573 175.795 176.600 -0.387 0.000 1.067 202 K CA -0.982 54.786 56.287 -0.864 0.000 0.900 202 K CB 0.940 32.473 32.500 -1.611 0.000 1.124 202 K HN 0.198 8.160 8.250 -0.481 0.000 0.469 203 S N 7.644 123.242 115.700 -0.169 0.000 2.159 203 S HA -0.174 4.236 4.470 -0.100 0.000 0.163 203 S C 0.823 175.343 174.600 -0.132 0.000 1.394 203 S CA 2.236 60.383 58.200 -0.088 0.000 2.434 203 S CB 0.150 63.377 63.200 0.045 0.000 0.341 203 S HN 0.562 8.832 8.310 -0.066 0.000 0.348 204 N N -0.388 118.307 118.700 -0.007 0.000 2.339 204 N HA -0.366 4.375 4.740 0.002 0.000 0.233 204 N C -0.493 175.013 175.510 -0.007 0.000 1.347 204 N CA 1.465 54.521 53.050 0.011 0.000 0.817 204 N CB -2.232 36.287 38.487 0.053 0.000 1.269 204 N HN 0.557 8.936 8.380 -0.003 0.000 0.608 205 N N -3.667 115.003 118.700 -0.050 0.000 2.741 205 N HA -0.349 4.401 4.740 -0.162 -0.107 0.250 205 N C -1.351 174.088 175.510 -0.118 0.000 1.115 205 N CA 1.359 54.348 53.050 -0.102 0.000 0.724 205 N CB -0.997 37.453 38.487 -0.062 0.000 1.090 205 N HN -0.013 8.331 8.380 -0.060 0.000 0.558 206 R N -2.578 117.862 120.500 -0.101 0.000 2.604 206 R HA 0.252 4.559 4.340 -0.055 0.000 0.287 206 R C -1.253 174.894 176.300 -0.256 0.000 0.970 206 R CA -1.560 54.458 56.100 -0.136 0.000 0.946 206 R CB 2.317 32.502 30.300 -0.193 0.000 1.127 206 R HN -0.682 7.765 8.270 -0.035 -0.198 0.473 207 W N 0.377 121.553 121.300 -0.208 0.000 2.316 207 W HA 0.220 5.002 4.660 -0.090 -0.176 0.311 207 W C -0.201 175.986 176.519 -0.554 0.000 1.217 207 W CA -0.371 56.816 57.345 -0.265 0.000 1.199 207 W CB 0.852 30.145 29.460 -0.280 0.000 1.202 207 W HN 0.330 8.612 8.180 0.171 0.000 0.528 208 Y N 1.009 121.305 120.300 -0.007 0.000 2.393 208 Y HA 0.382 5.067 4.550 -0.086 -0.188 0.341 208 Y C -0.993 174.893 175.900 -0.023 0.000 0.988 208 Y CA -1.486 56.585 58.100 -0.049 0.000 1.078 208 Y CB 3.609 42.053 38.460 -0.027 0.000 1.203 208 Y HN 0.717 9.143 8.280 0.243 0.000 0.453 209 Q N 3.503 123.360 119.800 0.094 0.000 2.389 209 Q HA 0.177 4.726 4.340 0.138 -0.127 0.244 209 Q C -0.536 175.607 176.000 0.238 0.000 1.056 209 Q CA -0.257 55.624 55.803 0.130 0.000 0.908 209 Q CB 0.603 29.379 28.738 0.063 0.000 1.273 209 Q HN 0.211 8.509 8.270 0.047 0.000 0.471 210 M N 5.302 125.082 119.600 0.300 0.000 2.435 210 M HA 0.092 4.696 4.480 0.207 0.000 0.265 210 M C -0.295 176.238 176.300 0.389 0.000 1.104 210 M CA -0.291 55.172 55.300 0.271 0.000 1.140 210 M CB 0.553 33.270 32.600 0.194 0.000 1.372 210 M HN 0.025 8.521 8.290 0.342 0.000 0.456 211 G N -3.761 105.339 108.800 0.500 0.000 2.680 211 G HA2 0.626 4.822 3.960 0.393 0.000 0.290 211 G HA3 0.626 5.081 3.960 0.416 -0.246 0.290 211 G C -2.915 172.212 174.900 0.378 0.000 1.355 211 G CA -0.805 44.559 45.100 0.441 0.000 0.903 211 G HN -0.468 8.140 8.290 0.530 0.000 0.474 212 I N -0.689 120.062 120.570 0.301 0.000 2.465 212 I HA 0.472 4.986 4.170 0.296 -0.167 0.291 212 I C -0.489 175.762 176.117 0.223 0.000 1.014 212 I CA -1.354 60.106 61.300 0.268 0.000 1.093 212 I CB 4.106 42.222 38.000 0.194 0.000 1.267 212 I HN -0.340 8.013 8.210 0.238 0.000 0.431 213 V N 6.445 126.487 119.914 0.214 0.000 2.458 213 V HA -0.237 3.648 4.120 -0.392 0.000 0.287 213 V C -0.799 175.319 176.094 0.040 0.000 1.009 213 V CA 1.880 64.163 62.300 -0.028 0.000 1.091 213 V CB -1.373 30.503 31.823 0.088 0.000 0.960 213 V HN 0.238 8.586 8.190 0.264 0.000 0.476 214 S N 8.062 123.705 115.700 -0.095 0.000 2.811 214 S HA 0.294 5.086 4.470 0.385 -0.091 0.237 214 S C -0.921 173.793 174.600 0.190 0.000 1.038 214 S CA 0.830 59.138 58.200 0.181 0.000 0.881 214 S CB 2.298 65.619 63.200 0.201 0.000 0.815 214 S HN 0.217 8.299 8.310 -0.380 0.000 0.582 215 W N -2.447 118.789 121.300 -0.107 0.000 3.059 215 W HA 0.218 4.786 4.660 -0.154 0.000 0.329 215 W C -2.232 174.274 176.519 -0.022 0.000 1.246 215 W CA -0.939 56.341 57.345 -0.108 0.000 1.190 215 W CB 1.473 30.859 29.460 -0.124 0.000 1.423 215 W HN -0.366 7.650 8.180 -0.273 0.000 0.571 216 G N -0.629 108.333 108.800 0.271 0.000 2.548 216 G HA2 0.018 4.007 3.960 0.049 0.000 0.301 216 G HA3 0.018 4.021 3.960 0.072 0.000 0.301 216 G C -1.609 173.450 174.900 0.265 0.000 1.349 216 G CA -0.608 44.591 45.100 0.165 0.000 0.792 216 G HN -0.275 8.230 8.290 0.358 0.000 0.481 220 c N 1.655 120.272 118.600 0.028 0.000 3.370 220 c HA 0.301 5.039 4.570 0.025 -0.154 0.190 220 c C -1.422 172.679 174.090 0.019 0.000 1.647 220 c CA -1.027 55.318 56.329 0.027 0.000 1.277 220 c CB -0.802 41.729 42.510 0.036 0.000 2.037 220 c HN 0.100 8.631 8.230 0.026 -0.286 0.537 221 R N -0.756 119.725 120.500 -0.031 0.000 3.329 221 R HA 0.127 4.455 4.340 -0.021 0.000 0.251 221 R C -2.137 174.115 176.300 -0.079 0.000 1.023 221 R CA -0.468 55.610 56.100 -0.038 0.000 1.009 221 R CB 2.772 33.057 30.300 -0.025 0.000 1.250 221 R HN -0.042 8.208 8.270 -0.035 0.000 0.518 222 D N 3.847 124.214 120.400 -0.054 0.000 2.458 222 D HA -0.085 4.510 4.640 -0.076 0.000 0.243 222 D C 1.303 177.545 176.300 -0.096 0.000 1.146 222 D CA 1.652 55.614 54.000 -0.064 0.000 0.877 222 D CB 0.048 40.834 40.800 -0.022 0.000 1.176 222 D HN 0.288 8.639 8.370 -0.032 0.000 0.461 223 G N 2.048 110.750 108.800 -0.164 0.000 2.184 223 G HA2 -0.477 3.456 3.960 -0.045 0.000 0.264 223 G HA3 -0.477 3.419 3.960 -0.106 0.000 0.264 223 G C -0.906 173.834 174.900 -0.266 0.000 0.975 223 G CA 0.313 45.324 45.100 -0.148 0.000 0.642 223 G HN 0.392 8.570 8.290 -0.188 0.000 0.536 224 K N -0.699 119.451 120.400 -0.416 0.000 2.221 224 K HA 0.380 4.613 4.320 -0.145 0.000 0.243 224 K C -1.561 174.599 176.600 -0.734 0.000 0.968 224 K CA -1.772 54.316 56.287 -0.332 0.000 0.846 224 K CB 2.187 34.629 32.500 -0.096 0.000 1.141 224 K HN -0.648 7.314 8.250 -0.375 0.063 0.434 225 Y N -1.945 118.354 120.300 -0.001 0.000 2.512 225 Y HA 0.091 4.594 4.550 -0.079 0.000 0.348 225 Y C 0.203 175.974 175.900 -0.215 0.000 0.990 225 Y CA -1.060 56.963 58.100 -0.127 0.000 1.033 225 Y CB 3.072 41.374 38.460 -0.263 0.000 1.259 225 Y HN -0.024 8.296 8.280 0.067 0.000 0.461 226 G N -0.168 108.588 108.800 -0.073 0.000 2.442 226 G HA2 0.115 3.963 3.960 -0.187 0.000 0.249 226 G HA3 0.115 3.931 3.960 -0.239 0.000 0.249 226 G C -2.161 172.383 174.900 -0.592 0.000 1.263 226 G CA -0.114 44.837 45.100 -0.247 0.000 0.846 226 G HN 0.056 8.364 8.290 0.029 0.000 0.555 227 F N 2.001 121.430 119.950 -0.869 0.000 2.450 227 F HA 0.723 5.051 4.527 -0.617 -0.171 0.332 227 F C -0.862 174.314 175.800 -1.041 0.000 1.093 227 F CA -1.134 56.297 58.000 -0.948 0.000 1.003 227 F CB 3.554 41.611 39.000 -1.571 0.000 1.151 227 F HN 0.256 8.180 8.300 -0.627 0.000 0.474 228 Y N 0.369 120.313 120.300 -0.593 0.000 2.477 228 Y HA 0.659 5.180 4.550 -0.358 -0.186 0.347 228 Y C 0.213 175.861 175.900 -0.419 0.000 0.981 228 Y CA -1.831 55.877 58.100 -0.653 0.000 1.033 228 Y CB 3.566 41.206 38.460 -1.366 0.000 1.245 228 Y HN 0.744 8.731 8.280 -0.487 0.000 0.455 229 T N 6.010 120.562 114.554 -0.003 0.000 2.888 229 T HA -0.052 4.533 4.350 0.158 -0.140 0.301 229 T C -0.699 174.146 174.700 0.241 0.000 1.001 229 T CA 0.940 63.122 62.100 0.136 0.000 1.147 229 T CB 0.256 69.218 68.868 0.157 0.000 0.931 229 T HN 0.349 8.608 8.240 0.033 0.000 0.541 230 H N 9.038 128.244 119.070 0.227 0.000 3.067 230 H HA 0.053 4.930 4.556 0.534 0.000 0.265 230 H C 0.341 175.822 175.328 0.255 0.000 1.234 230 H CA -0.639 55.622 56.048 0.354 0.000 1.452 230 H CB -0.290 29.665 29.762 0.322 0.000 1.527 230 H HN 0.059 8.471 8.280 0.392 0.103 0.486 231 V N 7.803 127.988 119.914 0.452 0.000 2.295 231 V HA -0.464 3.833 4.120 0.296 0.000 0.246 231 V C 1.935 178.236 176.094 0.344 0.000 1.049 231 V CA 4.002 66.510 62.300 0.347 0.000 1.024 231 V CB -0.383 31.621 31.823 0.301 0.000 0.648 231 V HN -0.312 8.130 8.190 0.420 0.000 0.447 232 F N -0.934 119.229 119.950 0.354 0.000 2.126 232 F HA -0.282 4.356 4.527 0.185 0.000 0.299 232 F C 1.513 177.419 175.800 0.177 0.000 1.096 232 F CA 2.850 61.002 58.000 0.253 0.000 1.255 232 F CB -0.106 39.030 39.000 0.227 0.000 0.997 232 F HN -0.314 8.360 8.300 0.624 0.000 0.479 233 R N -3.226 117.219 120.500 -0.093 0.000 2.193 233 R HA -0.259 3.796 4.340 -0.475 0.000 0.229 233 R C 1.221 177.396 176.300 -0.207 0.000 1.110 233 R CA 2.070 57.970 56.100 -0.334 0.000 0.988 233 R CB -0.260 29.819 30.300 -0.368 0.000 0.871 233 R HN -0.565 7.876 8.270 0.285 0.000 0.458 234 L N -3.624 117.568 121.223 -0.051 0.000 2.769 234 L HA 0.331 4.721 4.340 0.084 0.000 0.240 234 L C -0.112 176.838 176.870 0.134 0.000 1.163 234 L CA -0.909 53.983 54.840 0.088 0.000 0.962 234 L CB -0.199 41.957 42.059 0.161 0.000 1.258 234 L HN -0.515 7.583 8.230 0.020 0.144 0.513 235 K N 1.075 121.440 120.400 -0.059 0.000 2.148 235 K HA -0.363 3.986 4.320 0.049 0.000 0.204 235 K C 1.281 177.867 176.600 -0.024 0.000 1.050 235 K CA 3.897 60.164 56.287 -0.034 0.000 0.942 235 K CB -0.149 32.297 32.500 -0.091 0.000 0.724 235 K HN -0.466 7.488 8.250 -0.231 0.157 0.446 236 K N -1.502 118.876 120.400 -0.037 0.000 2.097 236 K HA -0.356 3.943 4.320 -0.036 0.000 0.206 236 K C 2.182 178.807 176.600 0.042 0.000 1.049 236 K CA 3.059 59.343 56.287 -0.006 0.000 0.933 236 K CB -0.657 31.842 32.500 -0.001 0.000 0.717 236 K HN 0.005 8.203 8.250 -0.086 0.000 0.442 237 W N 0.324 121.605 121.300 -0.032 0.000 2.381 237 W HA -0.291 4.332 4.660 -0.061 0.000 0.301 237 W C 1.488 177.966 176.519 -0.068 0.000 1.205 237 W CA 3.542 60.865 57.345 -0.037 0.000 1.285 237 W CB 0.021 29.495 29.460 0.022 0.000 1.133 237 W HN -0.814 7.560 8.180 0.323 0.000 0.521 238 I N -1.050 119.447 120.570 -0.123 0.000 2.163 238 I HA -0.731 2.996 4.170 -0.738 0.000 0.243 238 I C 1.987 177.818 176.117 -0.477 0.000 1.085 238 I CA 3.895 64.955 61.300 -0.399 0.000 1.347 238 I CB -0.411 37.538 38.000 -0.086 0.000 1.044 238 I HN -0.623 7.691 8.210 0.173 0.000 0.408 239 Q N -0.858 118.771 119.800 -0.286 0.000 2.084 239 Q HA -0.372 3.803 4.340 -0.275 0.000 0.202 239 Q C 1.788 177.602 176.000 -0.310 0.000 0.978 239 Q CA 2.900 58.548 55.803 -0.258 0.000 0.844 239 Q CB -0.528 28.126 28.738 -0.140 0.000 0.898 239 Q HN -0.074 8.084 8.270 -0.187 0.000 0.426 240 K N -0.195 120.019 120.400 -0.310 0.000 2.032 240 K HA -0.342 3.842 4.320 -0.225 0.000 0.209 240 K C 2.283 178.653 176.600 -0.384 0.000 1.048 240 K CA 3.469 59.581 56.287 -0.291 0.000 0.927 240 K CB -0.279 32.089 32.500 -0.221 0.000 0.712 240 K HN -0.540 7.541 8.250 -0.282 0.000 0.441 241 V N -0.602 118.955 119.914 -0.595 0.000 2.307 241 V HA -0.362 3.598 4.120 -0.266 0.000 0.245 241 V C 2.069 177.855 176.094 -0.513 0.000 1.045 241 V CA 4.310 66.275 62.300 -0.558 0.000 1.024 241 V CB -0.073 31.155 31.823 -0.993 0.000 0.651 241 V HN -0.480 7.248 8.190 -0.770 0.000 0.449 242 I N -0.855 119.276 120.570 -0.732 0.000 2.286 242 I HA -0.483 3.162 4.170 -0.876 0.000 0.248 242 I C 1.630 177.569 176.117 -0.298 0.000 1.115 242 I CA 3.585 64.457 61.300 -0.712 0.000 1.392 242 I CB -0.252 37.242 38.000 -0.843 0.000 1.065 242 I HN -0.484 7.265 8.210 -0.768 0.000 0.418 243 D N -1.835 118.399 120.400 -0.277 0.000 2.144 243 D HA -0.156 4.399 4.640 -0.141 0.000 0.200 243 D C 1.347 177.525 176.300 -0.203 0.000 0.978 243 D CA 2.399 56.286 54.000 -0.188 0.000 0.833 243 D CB 0.253 40.949 40.800 -0.174 0.000 0.961 243 D HN -0.329 7.850 8.370 -0.319 0.000 0.470 244 Q N -2.398 117.210 119.800 -0.320 0.000 2.096 244 Q HA -0.130 3.969 4.340 -0.402 0.000 0.197 244 Q C 0.496 176.170 176.000 -0.544 0.000 0.964 244 Q CA 2.072 57.557 55.803 -0.529 0.000 0.838 244 Q CB 1.211 29.425 28.738 -0.872 0.000 0.906 244 Q HN -0.743 7.323 8.270 -0.340 0.000 0.444 245 F N 0.000 119.931 119.950 -0.032 0.000 2.286 245 F HA 0.000 4.588 4.527 0.102 0.000 0.279 245 F CA 0.000 58.060 58.000 0.100 0.000 1.383 245 F CB 0.000 39.056 39.000 0.094 0.000 1.145 245 F HN 0.000 8.247 8.300 -0.088 0.000 0.574