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 2cn0_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 4.207 4.170 0.061 0.000 0.288 16 I C 0.000 176.144 176.117 0.045 0.000 1.063 16 I CA 0.000 61.328 61.300 0.046 0.000 1.566 16 I CB 0.000 38.011 38.000 0.019 0.000 1.214 17 V N 6.705 126.652 119.914 0.054 0.000 2.439 17 V HA 0.228 4.542 4.120 0.042 -0.169 0.282 17 V C 0.527 176.652 176.094 0.052 0.000 1.039 17 V CA -1.528 60.801 62.300 0.048 0.000 0.913 17 V CB 0.975 32.827 31.823 0.048 0.000 0.983 17 V HN 0.632 8.860 8.190 0.062 0.000 0.460 18 E N 1.682 121.906 120.200 0.040 0.000 2.637 18 E HA -0.410 3.957 4.350 0.029 0.000 0.265 18 E C -0.784 175.842 176.600 0.044 0.000 1.073 18 E CA 1.178 57.602 56.400 0.039 0.000 0.778 18 E CB -2.275 27.451 29.700 0.043 0.000 1.362 18 E HN 0.928 9.308 8.360 0.034 0.000 0.413 19 G N -2.665 106.156 108.800 0.035 0.000 2.641 19 G HA2 0.360 4.394 3.960 0.020 0.000 0.239 19 G HA3 0.360 4.360 3.960 0.037 -0.017 0.239 19 G C -1.429 173.479 174.900 0.013 0.000 1.402 19 G CA -0.778 44.338 45.100 0.027 0.000 1.046 19 G HN -0.391 7.890 8.290 0.031 0.027 0.565 20 S N -2.937 112.764 115.700 0.001 0.000 2.618 20 S HA 0.218 4.688 4.470 0.001 0.000 0.277 20 S C -2.009 172.581 174.600 -0.016 0.000 1.138 20 S CA -0.994 57.205 58.200 -0.002 0.000 0.844 20 S CB 2.679 65.882 63.200 0.005 0.000 1.127 20 S HN 0.027 8.334 8.310 -0.005 0.000 0.474 21 D N 1.939 122.334 120.400 -0.007 0.000 2.455 21 D HA -0.159 4.593 4.640 -0.035 -0.133 0.241 21 D C 0.601 176.905 176.300 0.007 0.000 1.138 21 D CA 0.692 54.688 54.000 -0.006 0.000 0.877 21 D CB 0.179 40.996 40.800 0.029 0.000 1.187 21 D HN 0.181 8.552 8.370 0.002 0.000 0.451 22 A N 5.203 128.023 122.820 0.000 0.000 2.425 22 A HA -0.174 4.128 4.320 -0.030 0.000 0.242 22 A C -0.345 177.293 177.584 0.090 0.000 1.077 22 A CA 0.080 52.125 52.037 0.013 0.000 0.781 22 A CB 1.195 20.175 19.000 -0.033 0.000 1.020 22 A HN 0.138 8.263 8.150 -0.041 0.000 0.494 23 E N 0.851 121.047 120.200 -0.006 0.000 2.349 23 E HA -0.005 4.320 4.350 -0.041 0.000 0.265 23 E C -0.073 176.451 176.600 -0.127 0.000 1.064 23 E CA -1.095 55.273 56.400 -0.053 0.000 0.886 23 E CB 0.945 30.606 29.700 -0.064 0.000 1.036 23 E HN -0.217 8.120 8.360 -0.039 0.000 0.413 24 I N 1.133 121.567 120.570 -0.226 0.000 2.752 24 I HA -0.192 3.760 4.170 -0.363 0.000 0.289 24 I C 1.332 177.380 176.117 -0.115 0.000 1.197 24 I CA 1.126 62.279 61.300 -0.244 0.000 1.432 24 I CB -0.639 37.247 38.000 -0.190 0.000 1.359 24 I HN 0.198 8.280 8.210 -0.214 0.000 0.571 25 G N 4.723 113.483 108.800 -0.067 0.000 2.166 25 G HA2 -0.420 3.458 3.960 -0.137 0.000 0.260 25 G HA3 -0.420 3.482 3.960 -0.097 0.000 0.260 25 G C 0.052 174.787 174.900 -0.274 0.000 0.986 25 G CA 0.819 45.840 45.100 -0.130 0.000 0.683 25 G HN 0.136 8.409 8.290 -0.029 0.000 0.527 26 M N -1.080 118.359 119.600 -0.269 0.000 2.319 26 M HA -0.194 4.092 4.480 -0.325 0.000 0.265 26 M C -1.045 174.888 176.300 -0.612 0.000 1.068 26 M CA 2.278 57.367 55.300 -0.352 0.000 1.118 26 M CB 0.706 33.163 32.600 -0.238 0.000 1.395 26 M HN -0.675 7.448 8.290 -0.208 0.042 0.435 27 S N -3.486 111.819 115.700 -0.659 0.000 2.235 27 S HA 0.543 4.106 4.470 -1.512 0.000 0.152 27 S C -1.723 172.241 174.600 -1.060 0.000 1.649 27 S CA -2.579 55.006 58.200 -1.025 0.000 1.277 27 S CB -0.334 62.527 63.200 -0.565 0.000 1.299 27 S HN 0.010 8.027 8.310 -0.489 0.000 0.388 28 P HA 0.209 4.529 4.420 -0.332 -0.099 0.237 28 P C 0.042 177.158 177.300 -0.308 0.000 1.178 28 P CA 1.162 63.931 63.100 -0.552 0.000 0.766 28 P CB 0.173 31.626 31.700 -0.411 0.000 0.876 29 W N -5.081 116.206 121.300 -0.021 0.000 3.256 29 W HA 0.202 4.928 4.660 0.001 -0.065 0.269 29 W C -0.763 175.784 176.519 0.046 0.000 1.310 29 W CA -2.859 54.486 57.345 0.001 0.000 1.673 29 W CB -1.560 27.891 29.460 -0.014 0.000 1.115 29 W HN -0.645 6.589 8.180 -1.496 0.048 0.686 30 Q N 1.931 121.757 119.800 0.043 0.000 2.337 30 Q HA 0.033 4.505 4.340 0.220 0.000 0.270 30 Q C -1.279 174.871 176.000 0.250 0.000 1.002 30 Q CA 0.831 56.719 55.803 0.142 0.000 0.888 30 Q CB 0.595 29.314 28.738 -0.033 0.000 1.222 30 Q HN -0.549 7.451 8.270 -0.199 0.150 0.400 31 V N 4.969 125.065 119.914 0.303 0.000 2.680 31 V HA 0.326 4.740 4.120 0.272 -0.131 0.309 31 V C -1.600 174.716 176.094 0.371 0.000 1.052 31 V CA -1.825 60.652 62.300 0.295 0.000 0.908 31 V CB 3.101 35.059 31.823 0.226 0.000 1.001 31 V HN 0.067 8.433 8.190 0.293 0.000 0.431 32 M N 5.841 125.594 119.600 0.255 0.000 2.129 32 M HA 0.375 5.025 4.480 0.283 0.000 0.348 32 M C -1.850 174.532 176.300 0.137 0.000 1.116 32 M CA -1.043 54.349 55.300 0.154 0.000 1.022 32 M CB 2.452 34.914 32.600 -0.231 0.000 1.599 32 M HN 0.350 8.741 8.290 0.169 0.000 0.449 33 L N 6.669 127.992 121.223 0.166 0.000 2.281 33 L HA 0.349 4.925 4.340 0.145 -0.148 0.285 33 L C -1.592 175.389 176.870 0.184 0.000 1.074 33 L CA -0.666 54.263 54.840 0.149 0.000 0.817 33 L CB 0.367 42.494 42.059 0.113 0.000 1.168 33 L HN 0.380 8.720 8.230 0.185 0.000 0.434 34 F N 5.934 125.879 119.950 -0.007 0.000 2.477 34 F HA 0.662 5.302 4.527 -0.032 -0.132 0.335 34 F C -2.011 173.778 175.800 -0.019 0.000 1.130 34 F CA -2.167 55.816 58.000 -0.027 0.000 0.948 34 F CB 3.866 42.839 39.000 -0.047 0.000 1.154 34 F HN 0.670 9.113 8.300 0.239 0.000 0.439 35 R N 6.384 126.605 120.500 -0.466 0.000 2.811 35 R HA 0.236 4.454 4.340 -0.203 0.000 0.237 35 R C -0.204 175.798 176.300 -0.496 0.000 1.231 35 R CA -0.514 55.366 56.100 -0.366 0.000 1.070 35 R CB 1.616 31.742 30.300 -0.290 0.000 1.126 35 R HN 0.418 8.371 8.270 -0.529 0.000 0.540 36 S N -0.283 115.331 115.700 -0.144 0.000 2.507 36 S HA 0.091 4.498 4.470 -0.106 0.000 0.299 36 S C -0.716 173.822 174.600 -0.103 0.000 1.214 36 S CA -1.024 57.113 58.200 -0.106 0.000 1.137 36 S CB -1.116 62.044 63.200 -0.067 0.000 1.009 36 S HN -0.261 7.961 8.310 -0.148 0.000 0.512 37 P HA 0.070 4.434 4.420 -0.093 0.000 0.272 37 P C -1.561 175.616 177.300 -0.204 0.000 1.223 37 P CA -0.614 62.416 63.100 -0.116 0.000 0.784 37 P CB 0.962 32.610 31.700 -0.087 0.000 0.923 38 Q N 0.584 120.262 119.800 -0.204 0.000 2.263 38 Q HA -0.069 4.102 4.340 -0.680 -0.239 0.270 38 Q C -0.502 175.283 176.000 -0.358 0.000 1.104 38 Q CA 0.635 56.212 55.803 -0.378 0.000 0.909 38 Q CB 0.028 28.735 28.738 -0.051 0.000 1.214 38 Q HN 0.170 8.364 8.270 -0.127 0.000 0.400 39 E N 2.662 122.497 120.200 -0.607 0.000 2.401 39 E HA 0.212 4.501 4.350 -0.101 0.000 0.280 39 E C -2.743 173.727 176.600 -0.216 0.000 1.039 39 E CA -1.977 54.269 56.400 -0.256 0.000 0.814 39 E CB 2.395 32.010 29.700 -0.142 0.000 1.275 39 E HN -0.122 7.662 8.360 -0.959 0.000 0.448 40 L N 1.915 123.147 121.223 0.015 0.000 2.410 40 L HA -0.097 4.334 4.340 0.152 0.000 0.273 40 L C -1.075 175.822 176.870 0.045 0.000 1.144 40 L CA 1.306 56.199 54.840 0.088 0.000 0.863 40 L CB -0.040 42.087 42.059 0.114 0.000 1.140 40 L HN 0.404 8.659 8.230 0.041 0.000 0.463 41 L N 6.306 127.561 121.223 0.054 0.000 2.286 41 L HA -0.043 4.316 4.340 0.030 0.000 0.203 41 L C -0.258 176.665 176.870 0.089 0.000 1.068 41 L CA 1.563 56.431 54.840 0.046 0.000 0.811 41 L CB 0.798 42.868 42.059 0.020 0.000 0.989 41 L HN 0.197 8.473 8.230 0.076 0.000 0.467 42 c N -5.225 113.448 118.600 0.121 0.000 3.231 42 c HA 0.161 4.822 4.570 0.151 0.000 0.343 42 c C -1.793 172.412 174.090 0.191 0.000 1.349 42 c CA -0.344 56.068 56.329 0.139 0.000 1.209 42 c CB 3.950 46.508 42.510 0.079 0.000 1.475 42 c HN -0.801 7.509 8.230 0.132 0.000 0.460 43 G N -1.714 107.207 108.800 0.202 0.000 2.522 43 G HA2 0.733 4.832 3.960 0.231 0.000 0.304 43 G HA3 0.733 5.015 3.960 0.308 -0.137 0.304 43 G C -2.615 172.401 174.900 0.193 0.000 1.210 43 G CA -0.986 44.258 45.100 0.240 0.000 0.960 43 G HN 0.358 8.757 8.290 0.181 0.000 0.497 44 A N -3.696 119.254 122.820 0.216 0.000 2.483 44 A HA 0.470 5.161 4.320 0.181 -0.262 0.294 44 A C -2.553 175.168 177.584 0.228 0.000 1.077 44 A CA -0.375 51.781 52.037 0.198 0.000 0.633 44 A CB 2.244 21.352 19.000 0.180 0.000 1.318 44 A HN -0.473 7.824 8.150 0.245 0.000 0.455 45 S N -1.790 114.045 115.700 0.225 0.000 2.548 45 S HA 0.865 5.709 4.470 0.292 -0.198 0.276 45 S C -1.725 173.015 174.600 0.234 0.000 1.129 45 S CA -0.704 57.645 58.200 0.250 0.000 0.931 45 S CB 3.318 66.649 63.200 0.217 0.000 1.068 45 S HN 0.073 8.510 8.310 0.211 0.000 0.480 46 L N 7.941 129.317 121.223 0.256 0.000 2.369 46 L HA 0.229 4.702 4.340 0.221 0.000 0.279 46 L C -0.619 176.357 176.870 0.178 0.000 1.108 46 L CA 0.081 55.054 54.840 0.222 0.000 0.852 46 L CB 1.106 43.290 42.059 0.209 0.000 1.169 46 L HN 0.326 8.740 8.230 0.306 0.000 0.452 47 I N -0.631 120.049 120.570 0.184 0.000 4.139 47 I HA 0.540 4.755 4.170 0.075 0.000 0.335 47 I C -0.971 175.238 176.117 0.154 0.000 1.327 47 I CA -0.932 60.448 61.300 0.133 0.000 1.112 47 I CB 1.387 39.463 38.000 0.126 0.000 1.058 47 I HN -0.131 8.215 8.210 0.227 0.000 0.396 48 S N -0.902 114.942 115.700 0.240 0.000 2.683 48 S HA 0.198 4.840 4.470 0.287 0.000 0.269 48 S C -0.909 173.926 174.600 0.392 0.000 1.165 48 S CA 0.098 58.481 58.200 0.305 0.000 0.840 48 S CB 1.628 65.019 63.200 0.318 0.000 1.169 48 S HN -0.796 7.674 8.310 0.267 0.000 0.490 49 D N -1.919 118.714 120.400 0.388 0.000 2.309 49 D HA -0.185 4.685 4.640 0.384 0.000 0.212 49 D C 0.543 176.915 176.300 0.120 0.000 0.968 49 D CA 2.595 56.729 54.000 0.223 0.000 0.882 49 D CB -0.332 40.407 40.800 -0.101 0.000 0.918 49 D HN 0.339 8.919 8.370 0.351 0.000 0.503 50 R N -4.080 116.480 120.500 0.100 0.000 2.531 50 R HA 0.343 4.627 4.340 -0.093 0.000 0.316 50 R C -1.508 174.626 176.300 -0.276 0.000 0.955 50 R CA -0.290 55.743 56.100 -0.112 0.000 1.120 50 R CB 1.876 32.028 30.300 -0.247 0.000 1.361 50 R HN -0.672 7.678 8.270 0.186 0.032 0.534 51 W N -1.356 120.006 121.300 0.102 0.000 2.656 51 W HA 0.623 5.700 4.660 0.098 -0.358 0.327 51 W C -1.543 175.043 176.519 0.112 0.000 1.041 51 W CA -0.682 56.720 57.345 0.096 0.000 1.229 51 W CB 3.151 32.651 29.460 0.066 0.000 1.397 51 W HN -0.577 7.788 8.180 0.308 0.000 0.479 52 V N 2.474 122.602 119.914 0.356 0.000 2.604 52 V HA 0.864 5.503 4.120 0.259 -0.363 0.305 52 V C -2.008 174.260 176.094 0.289 0.000 1.043 52 V CA -1.552 60.911 62.300 0.273 0.000 0.888 52 V CB 3.423 35.366 31.823 0.199 0.000 0.995 52 V HN 0.804 9.213 8.190 0.365 0.000 0.429 53 L N 7.088 128.458 121.223 0.245 0.000 2.317 53 L HA 0.890 5.525 4.340 0.257 -0.141 0.281 53 L C -1.652 175.336 176.870 0.196 0.000 1.024 53 L CA -1.540 53.439 54.840 0.231 0.000 0.810 53 L CB 3.593 45.778 42.059 0.210 0.000 1.240 53 L HN 0.726 9.093 8.230 0.229 0.000 0.427 54 T N 4.893 119.551 114.554 0.174 0.000 2.645 54 T HA 0.437 5.046 4.350 0.121 -0.186 0.300 54 T C -2.158 172.574 174.700 0.053 0.000 1.210 54 T CA -2.522 59.644 62.100 0.110 0.000 1.034 54 T CB 2.287 71.204 68.868 0.081 0.000 1.537 54 T HN 0.302 8.657 8.240 0.192 0.000 0.492 55 A N -0.433 122.353 122.820 -0.056 0.000 2.331 55 A HA 0.331 4.759 4.320 -0.075 -0.154 0.283 55 A C 0.494 177.911 177.584 -0.279 0.000 1.142 55 A CA -1.394 50.542 52.037 -0.168 0.000 0.812 55 A CB 0.911 19.716 19.000 -0.324 0.000 1.074 55 A HN 0.433 8.535 8.150 -0.080 0.000 0.497 56 A N 5.264 127.878 122.820 -0.343 0.000 1.948 56 A HA -0.324 3.791 4.320 -0.342 0.000 0.220 56 A C 1.306 178.638 177.584 -0.420 0.000 1.177 56 A CA 3.130 54.843 52.037 -0.539 0.000 0.636 56 A CB -0.619 17.645 19.000 -1.226 0.000 0.815 56 A HN 0.621 8.608 8.150 -0.320 -0.029 0.449 57 H N -4.793 114.153 119.070 -0.207 0.000 2.521 57 H HA -0.167 4.683 4.556 0.140 -0.211 0.286 57 H C 0.892 176.241 175.328 0.035 0.000 1.034 57 H CA 1.927 58.005 56.048 0.050 0.000 1.278 57 H CB -1.188 28.669 29.762 0.159 0.000 1.386 57 H HN -0.202 8.210 8.280 -0.238 -0.274 0.567 58 c N -1.717 116.642 118.600 -0.401 0.000 2.432 58 c HA -0.225 4.307 4.570 -0.063 0.000 0.282 58 c C -0.007 174.052 174.090 -0.051 0.000 1.388 58 c CA 2.001 58.229 56.329 -0.169 0.000 1.777 58 c CB -0.992 41.403 42.510 -0.192 0.000 1.882 58 c HN -0.737 7.088 8.230 -0.629 0.028 0.520 59 L N -3.743 117.443 121.223 -0.061 0.000 2.313 59 L HA 0.144 4.468 4.340 -0.026 0.000 0.268 59 L C -0.085 176.772 176.870 -0.021 0.000 1.010 59 L CA -0.991 53.828 54.840 -0.034 0.000 0.814 59 L CB 1.449 43.486 42.059 -0.036 0.000 1.304 59 L HN -0.477 7.544 8.230 -0.096 0.151 0.441 60 T N -0.013 114.516 114.554 -0.042 0.000 2.862 60 T HA 0.196 4.515 4.350 -0.051 0.000 0.276 60 T C 1.068 175.741 174.700 -0.045 0.000 0.974 60 T CA -1.876 60.196 62.100 -0.046 0.000 0.966 60 T CB 1.449 70.291 68.868 -0.044 0.000 1.072 60 T HN 0.253 8.842 8.240 -0.041 -0.373 0.538 61 E N 3.612 123.779 120.200 -0.054 0.000 2.085 61 E HA -0.308 4.013 4.350 -0.048 0.000 0.194 61 E C 1.252 177.831 176.600 -0.036 0.000 0.994 61 E CA 4.397 60.767 56.400 -0.051 0.000 0.801 61 E CB -0.183 29.476 29.700 -0.068 0.000 0.743 61 E HN 0.657 8.980 8.360 -0.062 0.000 0.453 62 N N -5.256 113.422 118.700 -0.036 0.000 2.521 62 N HA -0.163 4.563 4.740 -0.024 0.000 0.188 62 N C -0.232 175.262 175.510 -0.027 0.000 1.146 62 N CA 0.579 53.612 53.050 -0.028 0.000 0.893 62 N CB -0.015 38.455 38.487 -0.028 0.000 0.975 62 N HN -0.074 8.271 8.380 -0.039 0.012 0.451 63 D N -2.432 117.950 120.400 -0.031 0.000 2.347 63 D HA 0.059 4.675 4.640 -0.041 0.000 0.213 63 D C -1.589 174.688 176.300 -0.037 0.000 0.985 63 D CA 1.700 55.678 54.000 -0.038 0.000 0.879 63 D CB 0.988 41.763 40.800 -0.042 0.000 0.919 63 D HN -0.563 7.732 8.370 -0.032 0.056 0.526 64 L N -3.809 117.404 121.223 -0.016 0.000 2.350 64 L HA 0.563 5.053 4.340 -0.007 -0.155 0.260 64 L C -1.826 175.070 176.870 0.044 0.000 1.015 64 L CA -0.725 54.118 54.840 0.006 0.000 0.821 64 L CB 4.057 46.123 42.059 0.011 0.000 1.370 64 L HN -0.985 7.188 8.230 -0.013 0.049 0.416 65 L N -2.599 118.685 121.223 0.103 0.000 2.333 65 L HA 0.553 5.034 4.340 0.076 -0.096 0.263 65 L C -1.597 175.348 176.870 0.124 0.000 1.014 65 L CA -1.407 53.503 54.840 0.116 0.000 0.820 65 L CB 4.390 46.546 42.059 0.162 0.000 1.352 65 L HN 0.520 8.831 8.230 0.135 0.000 0.421 66 V N 1.037 121.004 119.914 0.087 0.000 2.398 66 V HA 0.447 4.790 4.120 0.102 -0.162 0.286 66 V C -1.380 174.748 176.094 0.058 0.000 1.026 66 V CA -1.324 61.028 62.300 0.086 0.000 0.868 66 V CB 1.777 33.650 31.823 0.083 0.000 0.982 66 V HN 0.398 8.630 8.190 0.070 0.000 0.443 67 R N 6.943 127.464 120.500 0.035 0.000 2.393 67 R HA 0.717 5.232 4.340 -0.009 -0.180 0.315 67 R C -1.075 175.242 176.300 0.028 0.000 0.952 67 R CA -1.419 54.667 56.100 -0.022 0.000 0.842 67 R CB 2.050 32.254 30.300 -0.160 0.000 1.163 67 R HN 0.505 8.804 8.270 0.048 0.000 0.450 68 I N 1.579 122.181 120.570 0.054 0.000 2.569 68 I HA 0.372 4.624 4.170 0.137 0.000 0.296 68 I C 0.040 176.212 176.117 0.091 0.000 1.028 68 I CA -1.741 59.622 61.300 0.106 0.000 1.082 68 I CB 3.329 41.404 38.000 0.126 0.000 1.264 68 I HN 0.504 8.738 8.210 0.041 0.000 0.429 69 G N 3.441 112.314 108.800 0.123 0.000 2.136 69 G HA2 -0.469 3.558 3.960 0.112 0.000 0.242 69 G HA3 -0.469 3.799 3.960 0.144 -0.221 0.242 69 G C -1.153 173.795 174.900 0.080 0.000 0.989 69 G CA 0.239 45.410 45.100 0.118 0.000 0.682 69 G HN 0.543 8.919 8.290 0.143 0.000 0.522 70 K N -1.949 118.538 120.400 0.144 0.000 2.098 70 K HA 0.067 4.533 4.320 0.025 -0.132 0.257 70 K C -1.510 175.316 176.600 0.378 0.000 0.999 70 K CA 0.071 56.445 56.287 0.145 0.000 0.924 70 K CB 1.338 33.813 32.500 -0.042 0.000 1.028 70 K HN -0.526 7.845 8.250 0.201 0.000 0.466 71 H N 0.875 120.055 119.070 0.182 0.000 1.955 71 H HA 0.207 4.930 4.556 0.278 0.000 0.196 71 H C 0.286 175.806 175.328 0.319 0.000 0.891 71 H CA 1.231 57.412 56.048 0.221 0.000 1.001 71 H CB 2.808 32.593 29.762 0.037 0.000 1.195 71 H HN 0.452 9.338 8.280 0.205 -0.484 0.384 72 S N 0.685 116.432 115.700 0.079 0.000 2.549 72 S HA -0.063 4.535 4.470 -0.036 -0.149 0.286 72 S C 0.815 175.371 174.600 -0.074 0.000 1.314 72 S CA 0.923 59.119 58.200 -0.007 0.000 1.062 72 S CB 0.311 63.494 63.200 -0.029 0.000 0.865 72 S HN -0.447 8.339 8.310 0.122 -0.402 0.498 73 R N 7.992 128.453 120.500 -0.064 0.000 2.062 73 R HA -0.184 3.642 4.340 -0.855 0.000 0.231 73 R C 1.171 177.295 176.300 -0.294 0.000 1.136 73 R CA 2.590 58.499 56.100 -0.318 0.000 0.948 73 R CB 0.129 30.418 30.300 -0.018 0.000 0.845 73 R HN 0.491 8.778 8.270 0.029 0.000 0.430 74 T N -4.205 110.267 114.554 -0.136 0.000 3.015 74 T HA 0.006 4.295 4.350 -0.102 0.000 0.250 74 T C 0.271 174.919 174.700 -0.086 0.000 1.057 74 T CA -0.043 62.002 62.100 -0.092 0.000 1.066 74 T CB 1.244 70.096 68.868 -0.028 0.000 0.959 74 T HN -0.492 7.695 8.240 -0.088 0.000 0.488 75 R N 2.793 123.242 120.500 -0.086 0.000 2.539 75 R HA 0.047 4.372 4.340 -0.024 0.000 0.275 75 R C -0.845 175.414 176.300 -0.068 0.000 1.077 75 R CA -0.003 56.063 56.100 -0.057 0.000 1.097 75 R CB 0.225 30.490 30.300 -0.059 0.000 1.018 75 R HN -0.788 7.427 8.270 -0.091 0.000 0.483 76 Y N 3.501 123.726 120.300 -0.125 0.000 2.455 76 Y HA 0.241 4.837 4.550 -0.178 -0.153 0.398 76 Y C 0.358 176.194 175.900 -0.108 0.000 1.386 76 Y CA -0.901 57.117 58.100 -0.137 0.000 1.816 76 Y CB 1.721 40.112 38.460 -0.115 0.000 1.740 76 Y HN 0.069 8.411 8.280 0.103 0.000 0.612 77 R N 0.360 120.432 120.500 -0.714 0.000 2.579 77 R HA 0.197 4.097 4.340 -0.733 0.000 0.260 77 R C -1.122 175.011 176.300 -0.278 0.000 1.103 77 R CA 0.356 56.145 56.100 -0.520 0.000 0.942 77 R CB 1.629 31.817 30.300 -0.186 0.000 1.251 77 R HN 0.301 8.231 8.270 -0.567 0.000 0.450 78 N N 1.082 119.675 118.700 -0.179 0.000 2.909 78 N HA -0.229 4.488 4.740 -0.038 0.000 0.242 78 N C -1.349 174.104 175.510 -0.096 0.000 0.975 78 N CA 1.890 54.890 53.050 -0.083 0.000 0.921 78 N CB -0.910 37.545 38.487 -0.053 0.000 1.112 78 N HN 0.708 8.991 8.380 -0.162 0.000 0.581 79 I N -3.236 117.225 120.570 -0.183 0.000 3.669 79 I HA 0.013 4.104 4.170 -0.132 0.000 0.255 79 I C -0.944 175.093 176.117 -0.133 0.000 1.144 79 I CA 0.658 61.831 61.300 -0.212 0.000 1.447 79 I CB 2.122 39.867 38.000 -0.424 0.000 1.622 79 I HN -0.615 7.388 8.210 -0.247 0.058 0.435 80 E N 1.090 121.171 120.200 -0.198 0.000 2.374 80 E HA 0.099 4.565 4.350 -0.050 -0.145 0.260 80 E C -0.554 176.025 176.600 -0.036 0.000 1.101 80 E CA -0.447 55.887 56.400 -0.110 0.000 0.907 80 E CB 1.171 30.776 29.700 -0.160 0.000 1.014 80 E HN -0.486 7.697 8.360 -0.294 0.000 0.427 81 K N 0.301 120.715 120.400 0.024 0.000 2.324 81 K HA 0.382 4.741 4.320 0.065 0.000 0.253 81 K C -1.537 175.095 176.600 0.054 0.000 0.932 81 K CA -1.997 54.324 56.287 0.056 0.000 0.799 81 K CB 2.778 35.321 32.500 0.073 0.000 1.154 81 K HN 0.462 8.730 8.250 0.031 0.000 0.425 82 I N 2.657 123.263 120.570 0.061 0.000 2.354 82 I HA 0.495 4.858 4.170 0.031 -0.174 0.292 82 I C -0.248 175.892 176.117 0.037 0.000 0.989 82 I CA -0.970 60.356 61.300 0.042 0.000 1.188 82 I CB 1.846 39.868 38.000 0.037 0.000 1.342 82 I HN 0.306 8.560 8.210 0.072 0.000 0.457 83 S N 8.233 123.955 115.700 0.036 0.000 2.526 83 S HA 0.454 4.936 4.470 0.020 0.000 0.293 83 S C -1.417 173.197 174.600 0.023 0.000 1.092 83 S CA -0.817 57.400 58.200 0.027 0.000 0.980 83 S CB 2.826 66.046 63.200 0.034 0.000 1.048 83 S HN 0.580 8.914 8.310 0.040 0.000 0.483 84 M N 2.277 121.881 119.600 0.006 0.000 2.359 84 M HA 0.124 4.610 4.480 0.009 0.000 0.322 84 M C -0.742 175.547 176.300 -0.018 0.000 1.166 84 M CA -0.153 55.146 55.300 -0.001 0.000 1.067 84 M CB 2.014 34.609 32.600 -0.009 0.000 1.523 84 M HN 0.305 8.595 8.290 0.000 0.000 0.467 85 L N -0.567 120.643 121.223 -0.022 0.000 2.289 85 L HA 0.130 4.546 4.340 -0.052 -0.108 0.285 85 L C -0.365 176.466 176.870 -0.064 0.000 1.049 85 L CA -1.078 53.736 54.840 -0.044 0.000 0.804 85 L CB -1.198 40.841 42.059 -0.033 0.000 1.195 85 L HN 0.671 8.892 8.230 -0.015 0.000 0.428 86 E N 4.530 124.675 120.200 -0.092 0.000 2.060 86 E HA -0.131 4.174 4.350 -0.075 0.000 0.189 86 E C -0.058 176.471 176.600 -0.118 0.000 0.974 86 E CA 2.045 58.389 56.400 -0.094 0.000 0.808 86 E CB 1.413 31.049 29.700 -0.108 0.000 0.768 86 E HN 0.615 8.909 8.360 -0.110 0.000 0.453 87 K N -4.605 115.703 120.400 -0.153 0.000 2.557 87 K HA 0.202 4.531 4.320 -0.263 -0.167 0.261 87 K C -2.197 174.222 176.600 -0.302 0.000 0.932 87 K CA -0.793 55.325 56.287 -0.281 0.000 0.829 87 K CB 3.030 35.294 32.500 -0.393 0.000 1.358 87 K HN -0.799 7.367 8.250 -0.141 0.000 0.430 88 I N 3.629 123.980 120.570 -0.365 0.000 2.392 88 I HA 0.417 4.706 4.170 -0.043 -0.144 0.295 88 I C -0.620 175.242 176.117 -0.425 0.000 0.985 88 I CA -0.903 60.268 61.300 -0.216 0.000 1.221 88 I CB 2.182 40.122 38.000 -0.100 0.000 1.366 88 I HN 0.169 8.485 8.210 -0.363 -0.323 0.467 89 Y N 6.043 126.427 120.300 0.139 0.000 2.327 89 Y HA 0.184 4.818 4.550 0.141 0.000 0.325 89 Y C -1.469 174.643 175.900 0.352 0.000 0.999 89 Y CA -0.796 57.428 58.100 0.207 0.000 1.195 89 Y CB 1.800 40.377 38.460 0.195 0.000 1.132 89 Y HN 0.698 9.170 8.280 0.320 0.000 0.455 90 I N 3.002 123.796 120.570 0.373 0.000 2.437 90 I HA 0.137 4.420 4.170 0.189 0.000 0.298 90 I C -0.628 175.580 176.117 0.152 0.000 0.984 90 I CA -1.490 59.944 61.300 0.223 0.000 1.214 90 I CB 2.330 40.405 38.000 0.125 0.000 1.365 90 I HN 0.315 8.703 8.210 0.297 0.000 0.469 91 H N 7.593 126.444 119.070 -0.365 0.000 3.034 91 H HA -0.024 3.803 4.556 -1.214 0.000 0.324 91 H C 0.382 175.605 175.328 -0.176 0.000 1.015 91 H CA 1.061 56.657 56.048 -0.753 0.000 1.429 91 H CB 1.148 30.360 29.762 -0.917 0.000 1.429 91 H HN -0.277 7.857 8.280 -0.243 0.000 0.585 92 P HA 0.025 4.540 4.420 0.159 0.000 0.226 92 P C -0.075 177.349 177.300 0.206 0.000 1.153 92 P CA 1.361 64.535 63.100 0.123 0.000 0.777 92 P CB 0.326 32.073 31.700 0.079 0.000 0.794 93 R N -3.418 117.305 120.500 0.373 0.000 2.507 93 R HA 0.205 4.603 4.340 0.096 0.000 0.298 93 R C -0.936 175.402 176.300 0.063 0.000 0.999 93 R CA -1.213 54.987 56.100 0.166 0.000 1.082 93 R CB 0.311 30.684 30.300 0.122 0.000 1.246 93 R HN -0.525 8.196 8.270 0.800 0.030 0.553 94 Y N 3.932 124.230 120.300 -0.003 0.000 2.729 94 Y HA -0.108 4.663 4.550 -0.125 -0.296 0.331 94 Y C -0.540 175.349 175.900 -0.020 0.000 1.208 94 Y CA -0.800 57.280 58.100 -0.034 0.000 1.521 94 Y CB 0.101 38.601 38.460 0.067 0.000 1.233 94 Y HN -0.785 7.646 8.280 0.345 0.056 0.539 95 N N 9.617 128.140 118.700 -0.296 0.000 3.105 95 N HA 0.153 4.547 4.740 -0.577 0.000 0.256 95 N C -0.728 174.403 175.510 -0.631 0.000 1.174 95 N CA -2.505 50.253 53.050 -0.486 0.000 1.030 95 N CB -0.838 37.471 38.487 -0.297 0.000 1.305 95 N HN 0.169 8.494 8.380 -0.091 0.000 0.509 96 W N 2.672 123.427 121.300 -0.907 0.000 2.264 96 W HA -0.070 4.234 4.660 -0.593 0.000 0.445 96 W C -0.711 175.601 176.519 -0.345 0.000 0.720 96 W CA -1.694 55.241 57.345 -0.684 0.000 2.352 96 W CB -2.313 26.757 29.460 -0.650 0.000 0.851 96 W HN -0.448 7.029 8.180 -1.172 0.000 0.582 97 E N 2.337 122.333 120.200 -0.340 0.000 2.351 97 E HA -0.506 3.697 4.350 -0.245 0.000 0.249 97 E C -0.069 176.347 176.600 -0.307 0.000 1.062 97 E CA 3.092 59.325 56.400 -0.278 0.000 1.066 97 E CB 0.198 29.743 29.700 -0.258 0.000 0.955 97 E HN -0.441 7.846 8.360 -0.387 -0.159 0.504 98 N N -4.054 114.449 118.700 -0.328 0.000 2.184 98 N HA -0.013 4.375 4.740 -0.586 0.000 0.234 98 N C -0.592 174.670 175.510 -0.413 0.000 1.282 98 N CA -0.868 51.918 53.050 -0.441 0.000 0.877 98 N CB 1.124 39.402 38.487 -0.347 0.000 1.184 98 N HN -0.476 7.725 8.380 -0.298 0.000 0.510 99 L N -4.549 116.527 121.223 -0.244 0.000 4.040 99 L HA -0.478 3.988 4.340 0.100 -0.066 0.410 99 L C -1.622 175.304 176.870 0.094 0.000 1.187 99 L CA 0.818 55.657 54.840 -0.001 0.000 0.956 99 L CB -2.295 39.770 42.059 0.010 0.000 2.022 99 L HN -0.142 7.939 8.230 -0.248 0.000 0.897 100 D N -1.018 119.376 120.400 -0.011 0.000 2.443 100 D HA -0.140 4.531 4.640 0.051 0.000 0.239 100 D C 0.241 176.561 176.300 0.033 0.000 1.136 100 D CA 1.307 55.313 54.000 0.010 0.000 0.879 100 D CB 0.977 41.741 40.800 -0.061 0.000 1.195 100 D HN -0.907 7.572 8.370 -0.094 -0.166 0.443 101 R N -2.157 118.329 120.500 -0.024 0.000 3.332 101 R HA -0.430 3.800 4.340 -0.183 0.000 0.263 101 R C -1.305 174.966 176.300 -0.049 0.000 1.053 101 R CA 0.926 56.921 56.100 -0.175 0.000 0.705 101 R CB -1.459 28.508 30.300 -0.556 0.000 1.166 101 R HN 0.608 8.875 8.270 -0.005 0.000 0.427 102 D N -1.286 119.155 120.400 0.068 0.000 2.508 102 D HA 0.014 4.591 4.640 -0.104 0.000 0.224 102 D C -1.541 174.726 176.300 -0.055 0.000 1.171 102 D CA -0.275 53.742 54.000 0.029 0.000 1.006 102 D CB -0.369 40.566 40.800 0.225 0.000 1.073 102 D HN -0.146 8.285 8.370 0.102 0.000 0.513 103 I N 2.757 123.231 120.570 -0.160 0.000 2.775 103 I HA 0.473 4.819 4.170 0.014 -0.168 0.295 103 I C -3.272 172.818 176.117 -0.044 0.000 1.287 103 I CA -1.223 60.052 61.300 -0.042 0.000 1.029 103 I CB 4.097 42.127 38.000 0.050 0.000 1.282 103 I HN -0.572 7.480 8.210 -0.263 0.000 0.426 104 A N 5.866 128.772 122.820 0.143 0.000 2.572 104 A HA 0.961 5.666 4.320 0.409 -0.141 0.295 104 A C -2.703 175.123 177.584 0.403 0.000 1.072 104 A CA -1.581 50.627 52.037 0.286 0.000 0.691 104 A CB 4.045 23.114 19.000 0.115 0.000 1.291 104 A HN 0.384 8.630 8.150 0.160 0.000 0.404 105 L N -0.026 121.507 121.223 0.517 0.000 2.342 105 L HA 0.850 5.604 4.340 0.413 -0.166 0.271 105 L C -1.090 176.084 176.870 0.507 0.000 1.008 105 L CA -1.718 53.410 54.840 0.482 0.000 0.818 105 L CB 4.220 46.525 42.059 0.409 0.000 1.296 105 L HN 0.459 9.065 8.230 0.626 0.000 0.427 106 M N -0.344 119.523 119.600 0.445 0.000 2.263 106 M HA 0.597 5.394 4.480 0.248 -0.168 0.295 106 M C -1.559 174.806 176.300 0.108 0.000 1.028 106 M CA -1.042 54.415 55.300 0.261 0.000 0.921 106 M CB 3.211 35.899 32.600 0.145 0.000 1.601 106 M HN 0.626 9.185 8.290 0.448 0.000 0.440 107 K N 4.557 124.853 120.400 -0.173 0.000 2.201 107 K HA 0.645 4.721 4.320 -1.044 -0.382 0.278 107 K C -1.082 175.320 176.600 -0.330 0.000 1.027 107 K CA -1.423 54.456 56.287 -0.679 0.000 0.909 107 K CB 2.481 34.465 32.500 -0.859 0.000 1.062 107 K HN 0.293 8.517 8.250 -0.043 0.000 0.465 108 L N 5.976 127.016 121.223 -0.305 0.000 2.395 108 L HA 0.220 4.632 4.340 -0.105 -0.136 0.269 108 L C 1.051 177.833 176.870 -0.148 0.000 1.133 108 L CA -0.124 54.624 54.840 -0.153 0.000 0.812 108 L CB 0.563 42.566 42.059 -0.094 0.000 1.125 108 L HN 0.478 8.471 8.230 -0.394 0.000 0.452 109 K N 0.177 120.523 120.400 -0.089 0.000 2.097 109 K HA -0.250 4.023 4.320 -0.078 0.000 0.206 109 K C 0.405 176.968 176.600 -0.063 0.000 1.049 109 K CA 3.393 59.638 56.287 -0.070 0.000 0.933 109 K CB 0.559 33.032 32.500 -0.045 0.000 0.717 109 K HN -0.151 8.058 8.250 -0.069 0.000 0.442 110 K N -3.901 116.465 120.400 -0.055 0.000 2.477 110 K HA 0.304 4.595 4.320 -0.047 0.000 0.255 110 K C -2.854 173.717 176.600 -0.047 0.000 0.952 110 K CA -2.774 53.486 56.287 -0.045 0.000 0.826 110 K CB 1.846 34.329 32.500 -0.029 0.000 1.331 110 K HN -0.406 7.813 8.250 -0.051 0.000 0.437 111 P HA -0.031 4.539 4.420 -0.045 -0.177 0.275 111 P C -1.488 175.786 177.300 -0.044 0.000 1.227 111 P CA -0.806 62.263 63.100 -0.053 0.000 0.781 111 P CB 0.678 32.334 31.700 -0.073 0.000 0.906 112 V N 2.311 122.217 119.914 -0.013 0.000 2.509 112 V HA 0.050 4.181 4.120 0.018 0.000 0.284 112 V C -0.995 175.070 176.094 -0.048 0.000 1.047 112 V CA -2.259 60.057 62.300 0.026 0.000 0.952 112 V CB 1.777 33.672 31.823 0.119 0.000 0.988 112 V HN 0.148 8.346 8.190 0.013 0.000 0.469 113 A N 7.267 130.076 122.820 -0.019 0.000 2.409 113 A HA 0.015 4.209 4.320 -0.209 0.000 0.262 113 A C -0.818 176.844 177.584 0.130 0.000 1.113 113 A CA -0.253 51.750 52.037 -0.057 0.000 0.790 113 A CB 0.540 19.535 19.000 -0.009 0.000 1.046 113 A HN -0.026 8.133 8.150 0.015 0.000 0.496 114 F N 2.094 122.075 119.950 0.050 0.000 2.406 114 F HA 0.100 4.766 4.527 0.078 -0.092 0.327 114 F C 0.838 176.680 175.800 0.070 0.000 1.153 114 F CA -1.376 56.667 58.000 0.072 0.000 1.218 114 F CB 0.743 39.793 39.000 0.083 0.000 1.215 114 F HN -0.086 8.121 8.300 -0.156 0.000 0.570 115 S N 0.236 116.098 115.700 0.270 0.000 2.757 115 S HA 0.227 4.750 4.470 0.088 0.000 0.285 115 S C 0.203 174.770 174.600 -0.055 0.000 1.196 115 S CA -0.450 57.811 58.200 0.101 0.000 0.856 115 S CB 2.021 65.295 63.200 0.124 0.000 1.212 115 S HN 0.082 8.557 8.310 0.276 0.000 0.516 116 D N -0.202 120.014 120.400 -0.307 0.000 2.263 116 D HA -0.102 4.306 4.640 -0.387 0.000 0.208 116 D C 0.242 176.151 176.300 -0.652 0.000 0.971 116 D CA 2.525 56.169 54.000 -0.594 0.000 0.867 116 D CB -0.120 40.112 40.800 -0.946 0.000 0.929 116 D HN 0.477 8.661 8.370 -0.310 0.000 0.492 117 Y N -5.844 114.437 120.300 -0.031 0.000 2.444 117 Y HA 0.103 4.592 4.550 -0.102 0.000 0.249 117 Y C -0.827 175.049 175.900 -0.040 0.000 1.134 117 Y CA -0.824 57.241 58.100 -0.058 0.000 1.261 117 Y CB 1.305 39.742 38.460 -0.039 0.000 1.143 117 Y HN -0.721 7.363 8.280 -0.254 0.044 0.523 118 I N -0.979 119.651 120.570 0.100 0.000 2.497 118 I HA 0.441 4.864 4.170 0.088 -0.200 0.284 118 I C -1.916 174.238 176.117 0.062 0.000 1.060 118 I CA -0.597 60.772 61.300 0.116 0.000 1.071 118 I CB 2.225 40.349 38.000 0.207 0.000 1.216 118 I HN -0.872 7.275 8.210 0.071 0.105 0.442 119 H N 7.927 126.889 119.070 -0.180 0.000 3.123 119 H HA 0.310 4.365 4.556 -0.834 0.000 0.346 119 H C -3.171 172.063 175.328 -0.156 0.000 1.138 119 H CA -1.290 54.527 56.048 -0.385 0.000 1.273 119 H CB 4.308 33.951 29.762 -0.199 0.000 1.926 119 H HN 0.008 8.199 8.280 0.011 0.096 0.524 120 P HA 0.160 4.758 4.420 0.013 -0.170 0.277 120 P C -1.469 175.861 177.300 0.050 0.000 1.240 120 P CA -0.843 62.163 63.100 -0.158 0.000 0.798 120 P CB 1.535 33.066 31.700 -0.281 0.000 0.979 121 V N 0.971 120.843 119.914 -0.070 0.000 2.863 121 V HA 0.145 3.815 4.120 -0.749 0.000 0.307 121 V C -0.702 175.201 176.094 -0.318 0.000 1.061 121 V CA -2.117 59.852 62.300 -0.552 0.000 1.024 121 V CB 2.593 33.790 31.823 -1.044 0.000 1.049 121 V HN -0.144 8.038 8.190 -0.013 0.000 0.471 122 C N 5.820 124.883 119.300 -0.394 0.000 2.534 122 C HA 0.081 4.435 4.460 -0.177 0.000 0.385 122 C C -0.702 174.241 174.990 -0.079 0.000 1.264 122 C CA 0.698 59.539 59.018 -0.295 0.000 2.342 122 C CB 0.190 27.508 27.740 -0.703 0.000 2.564 122 C HN -0.107 7.812 8.230 -0.518 0.000 0.603 123 L N 2.266 123.542 121.223 0.087 0.000 2.322 123 L HA 0.385 4.852 4.340 0.213 0.000 0.279 123 L C -1.666 175.427 176.870 0.371 0.000 1.036 123 L CA -2.429 52.538 54.840 0.212 0.000 0.807 123 L CB 0.707 42.858 42.059 0.153 0.000 1.226 123 L HN 0.223 8.494 8.230 0.069 0.000 0.433 124 P HA 0.003 4.433 4.420 0.017 0.000 0.271 124 P C -1.498 175.911 177.300 0.181 0.000 1.218 124 P CA -0.746 62.448 63.100 0.157 0.000 0.780 124 P CB 0.760 32.497 31.700 0.060 0.000 0.901 125 D N 0.599 120.994 120.400 -0.009 0.000 2.529 125 D HA 0.088 4.857 4.640 0.215 0.000 0.273 125 D C 0.690 176.678 176.300 -0.520 0.000 1.197 125 D CA -2.277 51.709 54.000 -0.024 0.000 1.070 125 D CB 1.259 42.063 40.800 0.007 0.000 1.134 125 D HN -0.401 7.901 8.370 -0.114 0.000 0.590 126 R N -1.965 118.173 120.500 -0.604 0.000 2.096 126 R HA -0.387 2.634 4.340 -2.198 0.000 0.235 126 R C 2.139 178.079 176.300 -0.601 0.000 1.127 126 R CA 4.014 59.499 56.100 -1.026 0.000 0.968 126 R CB 0.043 30.136 30.300 -0.346 0.000 0.861 126 R HN 0.364 8.497 8.270 -0.230 0.000 0.440 127 E N -2.439 117.548 120.200 -0.355 0.000 2.106 127 E HA -0.145 4.066 4.350 -0.231 0.000 0.192 127 E C 0.614 177.036 176.600 -0.297 0.000 0.984 127 E CA 1.785 58.030 56.400 -0.258 0.000 0.806 127 E CB -0.204 29.394 29.700 -0.170 0.000 0.750 127 E HN -0.554 7.737 8.360 -0.291 -0.106 0.458 128 T N 1.482 115.817 114.554 -0.365 0.000 2.792 128 T HA -0.249 3.854 4.350 -0.411 0.000 0.286 128 T C 0.222 174.702 174.700 -0.368 0.000 0.970 128 T CA 2.897 64.737 62.100 -0.433 0.000 1.187 128 T CB -0.837 67.649 68.868 -0.637 0.000 0.915 128 T HN -0.426 7.901 8.240 -0.365 -0.306 0.529 129 L N -0.127 120.993 121.223 -0.171 0.000 2.208 129 L HA -0.394 4.008 4.340 0.102 0.000 0.478 129 L C -0.346 176.387 176.870 -0.229 0.000 0.724 129 L CA 1.724 56.512 54.840 -0.087 0.000 2.975 129 L CB -1.737 40.276 42.059 -0.078 0.000 0.837 129 L HN 0.235 8.343 8.230 -0.203 0.000 0.703 130 L N -0.753 120.278 121.223 -0.319 0.000 2.437 130 L HA -0.029 4.049 4.340 -0.437 0.000 0.243 130 L C -1.099 175.525 176.870 -0.410 0.000 1.346 130 L CA -0.118 54.480 54.840 -0.404 0.000 1.233 130 L CB -2.117 39.688 42.059 -0.424 0.000 1.436 130 L HN -0.039 8.015 8.230 -0.292 0.000 0.416 131 Q N 0.144 119.634 119.800 -0.516 0.000 2.365 131 Q HA 0.226 4.325 4.340 -0.401 0.000 0.269 131 Q C -0.982 174.807 176.000 -0.351 0.000 1.061 131 Q CA -2.059 53.414 55.803 -0.549 0.000 0.816 131 Q CB 3.848 31.976 28.738 -1.016 0.000 1.325 131 Q HN -0.647 7.278 8.270 -0.521 0.033 0.446 132 A N 2.959 125.649 122.820 -0.217 0.000 2.567 132 A HA -0.460 3.926 4.320 -0.116 -0.136 0.240 132 A C 0.820 178.393 177.584 -0.019 0.000 1.053 132 A CA 1.342 53.311 52.037 -0.114 0.000 0.755 132 A CB -0.421 18.522 19.000 -0.095 0.000 0.978 132 A HN 0.508 8.532 8.150 -0.211 0.000 0.507 133 G N 4.288 113.102 108.800 0.024 0.000 2.268 133 G HA2 -0.407 3.619 3.960 0.110 0.000 0.240 133 G HA3 -0.407 3.582 3.960 0.048 0.000 0.240 133 G C -0.394 174.614 174.900 0.180 0.000 1.010 133 G CA -0.215 44.940 45.100 0.092 0.000 0.618 133 G HN 0.456 8.738 8.290 -0.013 0.000 0.516 134 Y N 2.219 122.481 120.300 -0.063 0.000 2.511 134 Y HA -0.111 4.409 4.550 -0.051 0.000 0.332 134 Y C -0.542 175.336 175.900 -0.037 0.000 1.177 134 Y CA -0.287 57.778 58.100 -0.058 0.000 1.422 134 Y CB 0.608 39.019 38.460 -0.081 0.000 1.271 134 Y HN -0.490 7.919 8.280 0.337 0.072 0.550 135 K N 1.682 122.115 120.400 0.056 0.000 2.138 135 K HA 0.478 4.999 4.320 0.050 -0.171 0.263 135 K C -0.303 176.280 176.600 -0.028 0.000 0.965 135 K CA -0.893 55.406 56.287 0.020 0.000 0.868 135 K CB 2.609 35.098 32.500 -0.019 0.000 1.083 135 K HN 0.011 8.250 8.250 -0.019 0.000 0.443 136 G N 0.111 108.821 108.800 -0.150 0.000 2.932 136 G HA2 0.650 3.792 3.960 -1.370 0.000 0.283 136 G HA3 0.650 4.460 3.960 -0.363 -0.068 0.283 136 G C -2.709 171.805 174.900 -0.642 0.000 1.336 136 G CA -1.619 43.093 45.100 -0.648 0.000 1.056 136 G HN 0.076 8.340 8.290 -0.044 0.000 0.522 137 R N -1.015 119.098 120.500 -0.645 0.000 2.621 137 R HA 0.845 5.234 4.340 -0.201 -0.170 0.292 137 R C -1.905 174.238 176.300 -0.261 0.000 0.969 137 R CA -1.146 54.787 56.100 -0.279 0.000 0.887 137 R CB 3.846 34.123 30.300 -0.039 0.000 1.180 137 R HN 0.213 8.044 8.270 -0.732 0.000 0.450 138 V N 7.554 127.419 119.914 -0.083 0.000 2.680 138 V HA 0.913 5.288 4.120 0.092 -0.200 0.309 138 V C -1.245 174.863 176.094 0.023 0.000 1.052 138 V CA -2.136 60.201 62.300 0.061 0.000 0.908 138 V CB 3.767 35.720 31.823 0.217 0.000 1.001 138 V HN 0.668 8.825 8.190 -0.055 0.000 0.431 139 T N 1.349 115.910 114.554 0.013 0.000 2.903 139 T HA 0.976 5.459 4.350 -0.119 -0.204 0.299 139 T C -1.043 173.578 174.700 -0.132 0.000 1.093 139 T CA -2.450 59.589 62.100 -0.101 0.000 1.002 139 T CB 3.400 72.173 68.868 -0.158 0.000 1.127 139 T HN -0.103 8.171 8.240 0.057 0.000 0.488 140 G N 0.012 108.646 108.800 -0.277 0.000 2.328 140 G HA2 0.236 4.328 3.960 -0.067 0.000 0.295 140 G HA3 0.236 3.968 3.960 -0.380 0.000 0.295 140 G C -2.216 172.495 174.900 -0.315 0.000 1.413 140 G CA 0.620 45.559 45.100 -0.269 0.000 0.817 140 G HN -0.108 7.983 8.290 -0.332 0.000 0.546 141 W N 0.230 121.553 121.300 0.038 0.000 3.102 141 W HA 0.326 4.988 4.660 0.003 0.000 0.401 141 W C -0.619 175.922 176.519 0.036 0.000 1.070 141 W CA -0.931 56.428 57.345 0.022 0.000 1.921 141 W CB 0.455 29.927 29.460 0.019 0.000 1.118 141 W HN 0.576 8.943 8.180 0.311 0.000 0.647 142 G N -0.244 108.679 108.800 0.206 0.000 2.611 142 G HA2 -0.044 4.117 3.960 0.137 0.000 0.273 142 G HA3 -0.044 4.037 3.960 0.170 -0.019 0.273 142 G C -0.758 174.211 174.900 0.115 0.000 1.305 142 G CA -0.596 44.598 45.100 0.156 0.000 1.010 142 G HN -0.349 8.311 8.290 0.158 -0.275 0.509 143 N N -1.147 117.609 118.700 0.094 0.000 2.395 143 N HA -0.259 4.642 4.740 0.073 -0.118 0.246 143 N C 0.450 175.997 175.510 0.062 0.000 1.246 143 N CA 0.876 53.970 53.050 0.073 0.000 0.879 143 N CB -0.090 38.435 38.487 0.063 0.000 1.098 143 N HN 0.008 8.445 8.380 0.095 0.000 0.444 144 L N 0.118 121.372 121.223 0.052 0.000 2.418 144 L HA -0.008 4.580 4.340 0.042 -0.223 0.218 144 L C 0.351 177.243 176.870 0.038 0.000 1.125 144 L CA 1.050 55.916 54.840 0.042 0.000 0.835 144 L CB 0.578 42.659 42.059 0.036 0.000 0.953 144 L HN 0.504 8.765 8.230 0.051 0.000 0.454 145 K N -4.542 115.881 120.400 0.038 0.000 2.508 145 K HA 0.167 4.506 4.320 0.032 0.000 0.260 145 K C -0.790 175.831 176.600 0.035 0.000 0.949 145 K CA -1.016 55.291 56.287 0.033 0.000 0.834 145 K CB 2.355 34.872 32.500 0.028 0.000 1.365 145 K HN -0.697 7.541 8.250 0.041 0.037 0.437 146 E N 1.869 122.088 120.200 0.032 0.000 2.085 146 E HA -0.270 4.102 4.350 0.036 0.000 0.194 146 E C 0.311 176.928 176.600 0.030 0.000 0.994 146 E CA 2.589 59.008 56.400 0.032 0.000 0.801 146 E CB 0.370 30.087 29.700 0.028 0.000 0.743 146 E HN 0.450 8.828 8.360 0.030 0.000 0.453 151 Q N 1.642 121.470 119.800 0.047 0.000 2.309 151 Q HA 0.381 4.764 4.340 0.071 0.000 0.264 151 Q C -1.935 174.103 176.000 0.063 0.000 1.008 151 Q CA -2.612 53.229 55.803 0.063 0.000 0.853 151 Q CB 1.474 30.252 28.738 0.065 0.000 1.314 151 Q HN -0.081 8.214 8.270 0.042 0.000 0.448 152 P HA 0.122 4.571 4.420 0.049 0.000 0.277 152 P C -0.116 177.230 177.300 0.077 0.000 1.240 152 P CA -0.703 62.440 63.100 0.071 0.000 0.798 152 P CB 1.314 33.061 31.700 0.078 0.000 0.979 153 S N 0.208 115.934 115.700 0.044 0.000 2.387 153 S HA -0.168 4.322 4.470 0.033 0.000 0.226 153 S C -0.601 174.014 174.600 0.025 0.000 1.026 153 S CA 1.896 60.114 58.200 0.030 0.000 0.972 153 S CB 0.211 63.420 63.200 0.014 0.000 0.814 153 S HN 0.543 8.871 8.310 0.031 0.000 0.477 154 V N -5.824 114.082 119.914 -0.014 0.000 3.141 154 V HA 0.640 4.875 4.120 -0.045 -0.142 0.312 154 V C -0.577 175.437 176.094 -0.134 0.000 1.157 154 V CA -3.162 59.053 62.300 -0.142 0.000 1.041 154 V CB 2.751 34.262 31.823 -0.520 0.000 1.071 154 V HN -0.880 7.300 8.190 -0.017 0.000 0.441 155 L N 0.634 121.678 121.223 -0.298 0.000 2.593 155 L HA -0.173 3.506 4.340 -1.101 0.000 0.287 155 L C -0.834 175.817 176.870 -0.364 0.000 1.243 155 L CA 1.307 55.755 54.840 -0.652 0.000 0.890 155 L CB 0.589 42.252 42.059 -0.660 0.000 1.134 155 L HN -0.131 7.932 8.230 -0.279 0.000 0.502 156 Q N 4.898 124.495 119.800 -0.338 0.000 2.257 156 Q HA 0.843 5.286 4.340 -0.129 -0.180 0.262 156 Q C -1.379 174.525 176.000 -0.159 0.000 0.997 156 Q CA -1.929 53.771 55.803 -0.171 0.000 0.873 156 Q CB 3.345 32.024 28.738 -0.098 0.000 1.312 156 Q HN 0.044 8.057 8.270 -0.429 0.000 0.450 157 V N 1.140 121.001 119.914 -0.089 0.000 2.925 157 V HA 0.887 5.141 4.120 -0.075 -0.179 0.311 157 V C -2.876 173.209 176.094 -0.015 0.000 1.104 157 V CA -2.696 59.565 62.300 -0.065 0.000 0.954 157 V CB 3.874 35.653 31.823 -0.073 0.000 1.022 157 V HN 0.390 8.541 8.190 -0.065 0.000 0.427 158 V N 4.431 124.349 119.914 0.006 0.000 2.969 158 V HA 0.267 4.415 4.120 0.047 0.000 0.304 158 V C -3.031 173.085 176.094 0.038 0.000 1.192 158 V CA -2.348 59.979 62.300 0.045 0.000 0.962 158 V CB 4.324 36.193 31.823 0.078 0.000 1.045 158 V HN 0.568 8.757 8.190 -0.001 0.000 0.428 159 N N 6.375 125.112 118.700 0.062 0.000 2.430 159 N HA 0.680 5.581 4.740 -0.031 -0.180 0.292 159 N C -0.784 174.757 175.510 0.053 0.000 1.051 159 N CA -0.888 52.181 53.050 0.032 0.000 0.917 159 N CB 1.725 40.245 38.487 0.055 0.000 1.164 159 N HN 0.151 8.584 8.380 0.088 0.000 0.484 160 L N 1.272 122.477 121.223 -0.030 0.000 2.455 160 L HA 0.544 4.693 4.340 -0.318 0.000 0.264 160 L C -3.192 173.618 176.870 -0.100 0.000 0.968 160 L CA -2.750 52.016 54.840 -0.123 0.000 0.827 160 L CB 3.771 45.845 42.059 0.025 0.000 1.317 160 L HN 0.563 8.754 8.230 -0.065 0.000 0.407 161 P HA 0.238 4.792 4.420 -0.027 -0.150 0.284 161 P C -0.629 176.642 177.300 -0.048 0.000 1.253 161 P CA -1.241 61.788 63.100 -0.118 0.000 0.800 161 P CB 0.576 32.165 31.700 -0.185 0.000 0.961 162 I N 2.588 123.161 120.570 0.005 0.000 2.648 162 I HA -0.182 4.082 4.170 -0.063 -0.132 0.284 162 I C 0.133 176.182 176.117 -0.113 0.000 1.153 162 I CA 1.488 62.747 61.300 -0.067 0.000 1.426 162 I CB 0.454 38.368 38.000 -0.143 0.000 1.381 162 I HN 0.173 8.411 8.210 0.047 0.000 0.571 163 V N 6.730 126.542 119.914 -0.170 0.000 2.612 163 V HA 0.174 4.173 4.120 -0.203 0.000 0.301 163 V C -0.310 175.667 176.094 -0.196 0.000 1.046 163 V CA -1.444 60.711 62.300 -0.243 0.000 0.946 163 V CB 2.180 33.706 31.823 -0.495 0.000 1.003 163 V HN -0.015 8.075 8.190 -0.168 0.000 0.459 164 E N 4.665 124.766 120.200 -0.165 0.000 2.452 164 E HA -0.149 4.143 4.350 -0.097 0.000 0.261 164 E C 0.918 177.457 176.600 -0.102 0.000 0.987 164 E CA 0.859 57.192 56.400 -0.112 0.000 0.926 164 E CB 0.416 30.067 29.700 -0.082 0.000 0.934 164 E HN 0.211 8.473 8.360 -0.163 0.000 0.452 165 R N 4.311 124.779 120.500 -0.053 0.000 2.091 165 R HA -0.269 4.066 4.340 -0.007 0.000 0.238 165 R C -0.201 176.103 176.300 0.006 0.000 1.136 165 R CA 5.533 61.628 56.100 -0.008 0.000 0.959 165 R CB -1.823 28.493 30.300 0.026 0.000 0.856 165 R HN 0.557 8.800 8.270 -0.046 0.000 0.437 166 P HA -0.087 4.352 4.420 0.031 0.000 0.218 166 P C 1.156 178.463 177.300 0.012 0.000 1.149 166 P CA 2.886 65.995 63.100 0.014 0.000 0.817 166 P CB -0.675 31.029 31.700 0.008 0.000 0.785 167 V N -1.401 118.493 119.914 -0.034 0.000 2.358 167 V HA -0.409 3.710 4.120 -0.002 0.000 0.246 167 V C 1.295 177.353 176.094 -0.060 0.000 1.047 167 V CA 3.738 66.003 62.300 -0.058 0.000 1.035 167 V CB -0.558 31.181 31.823 -0.140 0.000 0.658 167 V HN -0.691 7.465 8.190 -0.056 0.000 0.452 168 c N -2.253 116.279 118.600 -0.112 0.000 2.413 168 c HA -0.290 4.240 4.570 -0.066 0.000 0.276 168 c C 2.874 177.109 174.090 0.242 0.000 1.236 168 c CA 3.061 59.389 56.329 -0.001 0.000 1.735 168 c CB -1.642 40.844 42.510 -0.039 0.000 2.031 168 c HN -0.461 7.684 8.230 -0.141 0.000 0.474 169 K N 0.515 121.019 120.400 0.172 0.000 2.097 169 K HA -0.277 4.172 4.320 0.216 0.000 0.205 169 K C 1.872 178.562 176.600 0.151 0.000 1.050 169 K CA 3.265 59.656 56.287 0.173 0.000 0.938 169 K CB -0.239 32.329 32.500 0.113 0.000 0.718 169 K HN -0.083 8.236 8.250 0.114 0.000 0.442 170 D N -1.915 118.560 120.400 0.125 0.000 2.378 170 D HA -0.002 4.697 4.640 0.099 0.000 0.227 170 D C 0.925 177.315 176.300 0.151 0.000 1.012 170 D CA 2.084 56.152 54.000 0.114 0.000 0.905 170 D CB -0.198 40.654 40.800 0.087 0.000 0.895 170 D HN -0.273 8.161 8.370 0.107 0.000 0.532 171 S N -3.244 112.587 115.700 0.217 0.000 2.548 171 S HA 0.017 4.619 4.470 0.220 0.000 0.215 171 S C 0.116 174.853 174.600 0.228 0.000 0.976 171 S CA 0.609 58.966 58.200 0.261 0.000 0.908 171 S CB 1.094 64.554 63.200 0.432 0.000 0.781 171 S HN -0.555 7.732 8.310 0.242 0.169 0.519 172 T N 1.340 116.019 114.554 0.209 0.000 2.868 172 T HA 0.198 4.646 4.350 0.162 0.000 0.306 172 T C -0.839 173.928 174.700 0.112 0.000 1.224 172 T CA -1.441 60.767 62.100 0.180 0.000 1.012 172 T CB 2.040 71.057 68.868 0.249 0.000 1.221 172 T HN -0.798 7.512 8.240 0.197 0.048 0.499 173 R N 2.761 123.302 120.500 0.068 0.000 2.276 173 R HA 0.099 4.456 4.340 0.028 0.000 0.196 173 R C 0.543 176.831 176.300 -0.020 0.000 0.961 173 R CA 0.438 56.551 56.100 0.022 0.000 1.024 173 R CB 0.314 30.617 30.300 0.005 0.000 0.940 173 R HN 0.238 8.549 8.270 0.069 0.000 0.480 174 I N 0.433 120.979 120.570 -0.040 0.000 2.634 174 I HA -0.113 3.950 4.170 -0.179 0.000 0.284 174 I C -0.169 175.895 176.117 -0.089 0.000 1.124 174 I CA -0.809 60.398 61.300 -0.155 0.000 1.417 174 I CB 0.449 38.213 38.000 -0.394 0.000 1.396 174 I HN -0.580 7.592 8.210 0.004 0.040 0.571 175 R N 5.099 125.529 120.500 -0.117 0.000 2.370 175 R HA -0.122 4.205 4.340 -0.022 0.000 0.309 175 R C -1.022 175.262 176.300 -0.027 0.000 1.059 175 R CA 0.108 56.173 56.100 -0.058 0.000 0.981 175 R CB -0.178 30.079 30.300 -0.072 0.000 0.972 175 R HN 0.123 8.298 8.270 -0.158 0.000 0.437 176 I N 5.156 125.757 120.570 0.051 0.000 2.440 176 I HA 0.100 4.359 4.170 0.148 0.000 0.294 176 I C 0.543 176.724 176.117 0.106 0.000 0.995 176 I CA -2.774 58.603 61.300 0.129 0.000 1.306 176 I CB 0.177 38.311 38.000 0.223 0.000 1.407 176 I HN 0.186 8.432 8.210 0.060 0.000 0.501 177 T N 1.343 115.972 114.554 0.125 0.000 2.927 177 T HA 0.224 4.613 4.350 0.065 0.000 0.286 177 T C 0.275 175.045 174.700 0.118 0.000 1.040 177 T CA -2.183 59.970 62.100 0.088 0.000 1.010 177 T CB 3.619 72.516 68.868 0.048 0.000 1.177 177 T HN -0.179 8.159 8.240 0.162 0.000 0.546 178 D N -0.364 120.080 120.400 0.074 0.000 2.310 178 D HA -0.115 4.587 4.640 0.102 0.000 0.212 178 D C 0.522 176.864 176.300 0.071 0.000 0.965 178 D CA 2.397 56.438 54.000 0.069 0.000 0.879 178 D CB -0.449 40.358 40.800 0.012 0.000 0.921 178 D HN 0.327 8.725 8.370 0.047 0.000 0.510 179 N N -2.209 116.537 118.700 0.077 0.000 2.370 179 N HA 0.034 4.806 4.740 0.053 0.000 0.198 179 N C -1.487 174.165 175.510 0.236 0.000 1.156 179 N CA 0.284 53.394 53.050 0.100 0.000 0.839 179 N CB 0.535 39.040 38.487 0.031 0.000 0.989 179 N HN -0.529 7.848 8.380 0.068 0.043 0.468 180 M N -1.836 117.935 119.600 0.285 0.000 2.591 180 M HA 0.844 5.675 4.480 0.240 -0.206 0.306 180 M C -2.014 174.508 176.300 0.370 0.000 1.190 180 M CA -0.417 55.063 55.300 0.300 0.000 0.889 180 M CB 5.078 37.889 32.600 0.351 0.000 1.728 180 M HN -0.606 7.767 8.290 0.263 0.075 0.458 181 F N -2.962 117.069 119.950 0.136 0.000 2.650 181 F HA 0.646 5.178 4.527 0.009 0.000 0.320 181 F C -2.842 172.845 175.800 -0.189 0.000 1.091 181 F CA -1.904 56.078 58.000 -0.030 0.000 0.962 181 F CB 2.781 41.691 39.000 -0.150 0.000 1.363 181 F HN 0.203 8.377 8.300 -0.211 0.000 0.482 182 c N -2.349 116.135 118.600 -0.194 0.000 2.667 182 c HA 1.056 5.427 4.570 -0.581 -0.150 0.323 182 c C -1.860 172.104 174.090 -0.211 0.000 1.214 182 c CA -3.856 52.144 56.329 -0.549 0.000 1.721 182 c CB 3.763 45.491 42.510 -1.304 0.000 2.275 182 c HN 0.375 8.572 8.230 -0.055 0.000 0.491 183 A N 0.826 123.571 122.820 -0.126 0.000 2.488 183 A HA 0.751 5.162 4.320 -0.072 -0.134 0.298 183 A C -2.402 175.253 177.584 0.118 0.000 1.044 183 A CA -0.890 51.132 52.037 -0.025 0.000 0.693 183 A CB 3.215 22.175 19.000 -0.067 0.000 1.272 183 A HN 0.139 8.236 8.150 -0.088 0.000 0.402 184 Y N 2.566 122.986 120.300 0.199 0.000 2.336 184 Y HA -0.109 4.684 4.550 0.168 -0.142 0.331 184 Y C 0.471 176.504 175.900 0.222 0.000 1.211 184 Y CA -0.183 58.020 58.100 0.172 0.000 1.346 184 Y CB 1.542 40.058 38.460 0.095 0.000 1.271 184 Y HN 0.026 8.449 8.280 0.239 0.000 0.538 185 K N -0.331 120.301 120.400 0.388 0.000 2.418 185 K HA -0.050 4.486 4.320 0.361 0.000 0.195 185 K C -0.050 176.657 176.600 0.178 0.000 1.035 185 K CA 0.092 56.560 56.287 0.301 0.000 1.003 185 K CB 0.067 32.715 32.500 0.247 0.000 0.793 185 K HN 0.310 8.783 8.250 0.371 0.000 0.494 186 K N -2.336 117.837 120.400 -0.380 0.000 2.239 186 K HA -0.402 3.702 4.320 -0.360 0.000 0.548 186 K C -1.240 175.133 176.600 -0.380 0.000 2.173 186 K CA 1.331 57.267 56.287 -0.584 0.000 1.637 186 K CB -0.453 31.279 32.500 -1.280 0.000 1.787 186 K HN -0.099 7.884 8.250 -0.445 0.000 0.739 187 R N 0.259 120.671 120.500 -0.147 0.000 2.885 187 R HA 0.123 4.550 4.340 0.146 0.000 0.260 187 R C -1.408 175.011 176.300 0.197 0.000 1.107 187 R CA -0.995 55.154 56.100 0.081 0.000 0.978 187 R CB 3.247 33.564 30.300 0.030 0.000 1.227 187 R HN -0.006 8.172 8.270 -0.153 0.000 0.473 188 G N -1.223 107.681 108.800 0.174 0.000 2.326 188 G HA2 -0.129 3.945 3.960 0.190 0.000 0.478 188 G HA3 -0.129 4.144 3.960 0.116 -0.244 0.478 188 G C -2.402 172.586 174.900 0.146 0.000 1.551 188 G CA -0.259 44.937 45.100 0.159 0.000 0.946 188 G HN 0.254 8.963 8.290 0.141 -0.334 0.671 189 D N -0.326 120.145 120.400 0.118 0.000 2.694 189 D HA 0.215 4.944 4.640 0.148 0.000 0.260 189 D C -2.101 174.265 176.300 0.111 0.000 1.250 189 D CA -0.342 53.728 54.000 0.117 0.000 0.763 189 D CB 3.649 44.494 40.800 0.075 0.000 1.311 189 D HN -0.383 8.051 8.370 0.105 0.000 0.420 190 A N -0.265 122.630 122.820 0.123 0.000 2.346 190 A HA 0.070 4.553 4.320 0.105 -0.100 0.252 190 A C -1.719 175.908 177.584 0.072 0.000 1.089 190 A CA -0.127 51.971 52.037 0.102 0.000 0.797 190 A CB 1.319 20.383 19.000 0.107 0.000 1.047 190 A HN 0.427 8.664 8.150 0.145 0.000 0.494 191 c N -2.311 116.335 118.600 0.076 0.000 3.316 191 c HA 0.309 4.916 4.570 0.062 0.000 0.360 191 c C -1.346 172.795 174.090 0.086 0.000 1.560 191 c CA -1.011 55.360 56.329 0.071 0.000 1.229 191 c CB 3.626 46.175 42.510 0.064 0.000 1.823 191 c HN -0.005 8.553 8.230 0.086 -0.277 0.440 192 E N 1.367 121.615 120.200 0.081 0.000 2.558 192 E HA -0.344 4.066 4.350 0.100 0.000 0.255 192 E C 0.265 176.930 176.600 0.109 0.000 0.968 192 E CA 2.098 58.553 56.400 0.092 0.000 0.939 192 E CB 0.392 30.137 29.700 0.074 0.000 0.921 192 E HN 0.625 9.027 8.360 0.070 0.000 0.477 193 G N 7.181 116.059 108.800 0.130 0.000 2.254 193 G HA2 -0.345 3.709 3.960 0.156 0.000 0.225 193 G HA3 -0.345 3.706 3.960 0.151 0.000 0.225 193 G C 0.370 175.379 174.900 0.182 0.000 1.003 193 G CA 0.856 46.048 45.100 0.154 0.000 0.622 193 G HN 0.868 9.240 8.290 0.137 0.000 0.507 194 D N 1.081 121.577 120.400 0.160 0.000 2.367 194 D HA 0.140 4.879 4.640 0.166 0.000 0.207 194 D C -0.276 176.124 176.300 0.165 0.000 1.034 194 D CA 0.966 55.059 54.000 0.155 0.000 0.861 194 D CB 0.857 41.731 40.800 0.124 0.000 0.943 194 D HN 0.040 8.430 8.370 0.144 0.066 0.515 195 S N -2.553 113.257 115.700 0.184 0.000 2.572 195 S HA -0.150 4.434 4.470 0.191 0.000 0.279 195 S C 1.005 175.694 174.600 0.149 0.000 1.341 195 S CA 1.288 59.620 58.200 0.220 0.000 1.043 195 S CB 0.029 63.473 63.200 0.407 0.000 0.887 195 S HN -0.462 7.961 8.310 0.188 0.000 0.516 196 G N 3.663 112.530 108.800 0.111 0.000 2.253 196 G HA2 -0.436 3.647 3.960 0.024 0.000 0.251 196 G HA3 -0.436 3.604 3.960 0.033 -0.061 0.251 196 G C -0.170 174.815 174.900 0.141 0.000 0.998 196 G CA 0.527 45.665 45.100 0.064 0.000 0.621 196 G HN 0.515 8.894 8.290 0.148 0.000 0.524 197 G N 0.800 109.705 108.800 0.174 0.000 2.616 197 G HA2 0.325 4.397 3.960 0.187 0.000 0.268 197 G HA3 0.325 4.472 3.960 0.198 -0.068 0.268 197 G C -2.717 172.324 174.900 0.236 0.000 1.213 197 G CA -1.993 43.225 45.100 0.197 0.000 0.926 197 G HN -0.477 7.845 8.290 0.172 0.072 0.523 198 P HA 0.314 5.041 4.420 0.282 -0.138 0.288 198 P C -2.027 175.464 177.300 0.319 0.000 1.267 198 P CA -1.277 61.986 63.100 0.271 0.000 0.815 198 P CB 1.446 33.285 31.700 0.232 0.000 0.989 199 F N 4.568 124.635 119.950 0.195 0.000 2.361 199 F HA 0.606 5.403 4.527 0.113 -0.202 0.364 199 F C -1.542 174.342 175.800 0.140 0.000 1.117 199 F CA -2.220 55.858 58.000 0.129 0.000 1.071 199 F CB 2.562 41.568 39.000 0.010 0.000 1.188 199 F HN 0.017 8.503 8.300 0.486 0.105 0.464 200 V N 3.944 123.826 119.914 -0.054 0.000 2.815 200 V HA 1.005 5.409 4.120 0.175 -0.179 0.314 200 V C -1.985 174.162 176.094 0.088 0.000 1.064 200 V CA -3.498 58.870 62.300 0.113 0.000 0.952 200 V CB 3.512 35.453 31.823 0.196 0.000 1.020 200 V HN 0.630 8.695 8.190 -0.208 0.000 0.439 201 M N 1.194 120.914 119.600 0.200 0.000 2.446 201 M HA 0.372 4.862 4.480 0.017 0.000 0.294 201 M C -1.908 174.337 176.300 -0.091 0.000 1.158 201 M CA -0.459 54.874 55.300 0.055 0.000 0.899 201 M CB 4.529 37.153 32.600 0.040 0.000 1.687 201 M HN 0.278 8.712 8.290 0.241 0.000 0.455 202 K N 3.077 123.171 120.400 -0.510 0.000 2.264 202 K HA 0.243 4.168 4.320 -0.907 -0.149 0.277 202 K C -0.594 175.774 176.600 -0.387 0.000 1.067 202 K CA -0.988 54.775 56.287 -0.872 0.000 0.900 202 K CB 0.932 32.516 32.500 -1.528 0.000 1.124 202 K HN 0.199 8.164 8.250 -0.476 0.000 0.469 203 S N 8.366 123.967 115.700 -0.165 0.000 2.159 203 S HA -0.274 4.140 4.470 -0.095 0.000 0.163 203 S C 0.622 175.146 174.600 -0.127 0.000 1.394 203 S CA 2.621 60.773 58.200 -0.081 0.000 2.434 203 S CB 0.332 63.566 63.200 0.056 0.000 0.341 203 S HN 0.375 8.646 8.310 -0.065 0.000 0.348 204 N N -0.412 118.285 118.700 -0.005 0.000 2.371 204 N HA -0.366 4.376 4.740 0.003 0.000 0.235 204 N C -0.492 175.014 175.510 -0.007 0.000 1.326 204 N CA 1.458 54.515 53.050 0.012 0.000 0.785 204 N CB -2.250 36.269 38.487 0.054 0.000 1.235 204 N HN 0.567 8.946 8.380 -0.001 0.000 0.598 205 N N -3.768 114.902 118.700 -0.050 0.000 2.741 205 N HA -0.352 4.400 4.740 -0.163 -0.109 0.250 205 N C -1.351 174.085 175.510 -0.123 0.000 1.115 205 N CA 1.417 54.405 53.050 -0.103 0.000 0.724 205 N CB -0.855 37.595 38.487 -0.062 0.000 1.090 205 N HN 0.017 8.362 8.380 -0.059 0.000 0.558 206 R N -2.641 117.796 120.500 -0.105 0.000 2.540 206 R HA 0.238 4.539 4.340 -0.065 0.000 0.287 206 R C -1.090 175.047 176.300 -0.272 0.000 0.980 206 R CA -1.504 54.507 56.100 -0.149 0.000 0.966 206 R CB 2.163 32.334 30.300 -0.214 0.000 1.106 206 R HN -0.667 7.786 8.270 -0.038 -0.206 0.480 207 W N 0.797 121.971 121.300 -0.210 0.000 2.287 207 W HA 0.188 4.968 4.660 -0.091 -0.174 0.313 207 W C -0.166 176.023 176.519 -0.550 0.000 1.267 207 W CA -0.241 56.945 57.345 -0.265 0.000 1.201 207 W CB 0.783 30.077 29.460 -0.276 0.000 1.196 207 W HN 0.353 8.634 8.180 0.168 0.000 0.536 208 Y N 1.161 121.458 120.300 -0.004 0.000 2.393 208 Y HA 0.403 5.104 4.550 -0.079 -0.199 0.341 208 Y C -0.895 174.994 175.900 -0.018 0.000 0.988 208 Y CA -1.500 56.573 58.100 -0.044 0.000 1.078 208 Y CB 3.376 41.822 38.460 -0.023 0.000 1.203 208 Y HN 0.725 9.148 8.280 0.239 0.000 0.453 209 Q N 3.765 123.622 119.800 0.095 0.000 2.369 209 Q HA 0.148 4.695 4.340 0.136 -0.126 0.247 209 Q C -0.461 175.681 176.000 0.237 0.000 1.083 209 Q CA -0.114 55.767 55.803 0.130 0.000 0.905 209 Q CB 0.446 29.223 28.738 0.066 0.000 1.305 209 Q HN 0.311 8.607 8.270 0.043 0.000 0.465 210 M N 5.116 124.896 119.600 0.300 0.000 2.435 210 M HA 0.091 4.695 4.480 0.206 0.000 0.265 210 M C -0.385 176.140 176.300 0.375 0.000 1.104 210 M CA -0.366 55.094 55.300 0.267 0.000 1.140 210 M CB 0.510 33.219 32.600 0.182 0.000 1.372 210 M HN 0.039 8.536 8.290 0.346 0.000 0.456 211 G N -3.571 105.517 108.800 0.480 0.000 2.694 211 G HA2 0.615 4.793 3.960 0.363 0.000 0.290 211 G HA3 0.615 5.056 3.960 0.393 -0.244 0.290 211 G C -2.922 172.201 174.900 0.372 0.000 1.386 211 G CA -0.618 44.734 45.100 0.419 0.000 0.872 211 G HN -0.466 8.132 8.290 0.513 0.000 0.475 212 I N -0.582 120.166 120.570 0.296 0.000 2.509 212 I HA 0.479 4.995 4.170 0.297 -0.168 0.293 212 I C -0.498 175.756 176.117 0.227 0.000 1.020 212 I CA -1.368 60.093 61.300 0.268 0.000 1.088 212 I CB 4.171 42.287 38.000 0.192 0.000 1.267 212 I HN -0.307 8.043 8.210 0.233 0.000 0.430 213 V N 6.420 126.465 119.914 0.219 0.000 2.458 213 V HA -0.228 3.656 4.120 -0.393 0.000 0.287 213 V C -0.830 175.287 176.094 0.038 0.000 1.009 213 V CA 1.846 64.131 62.300 -0.026 0.000 1.091 213 V CB -1.357 30.522 31.823 0.093 0.000 0.960 213 V HN 0.262 8.610 8.190 0.264 0.000 0.476 214 S N 8.126 123.773 115.700 -0.088 0.000 2.811 214 S HA 0.295 5.092 4.470 0.397 -0.089 0.237 214 S C -0.939 173.788 174.600 0.212 0.000 1.038 214 S CA 0.814 59.130 58.200 0.195 0.000 0.881 214 S CB 2.292 65.618 63.200 0.208 0.000 0.815 214 S HN 0.235 8.321 8.310 -0.375 0.000 0.582 215 W N -2.483 118.755 121.300 -0.104 0.000 3.005 215 W HA 0.224 4.795 4.660 -0.148 0.000 0.343 215 W C -2.243 174.265 176.519 -0.018 0.000 1.243 215 W CA -0.943 56.339 57.345 -0.104 0.000 1.186 215 W CB 1.506 30.890 29.460 -0.127 0.000 1.453 215 W HN -0.358 7.671 8.180 -0.250 0.000 0.575 216 G N -0.776 108.196 108.800 0.288 0.000 2.548 216 G HA2 0.018 4.017 3.960 0.066 0.000 0.301 216 G HA3 0.018 4.042 3.960 0.107 0.000 0.301 216 G C -1.693 173.367 174.900 0.267 0.000 1.349 216 G CA -0.562 44.645 45.100 0.179 0.000 0.792 216 G HN -0.259 8.249 8.290 0.362 0.000 0.481 220 c N 1.757 120.376 118.600 0.031 0.000 3.370 220 c HA 0.290 5.033 4.570 0.029 -0.156 0.190 220 c C -1.447 172.656 174.090 0.021 0.000 1.647 220 c CA -0.936 55.411 56.329 0.030 0.000 1.277 220 c CB -0.777 41.757 42.510 0.039 0.000 2.037 220 c HN 0.106 8.633 8.230 0.028 -0.280 0.537 221 R N -0.771 119.711 120.500 -0.029 0.000 3.329 221 R HA 0.127 4.454 4.340 -0.020 0.000 0.251 221 R C -2.221 174.031 176.300 -0.080 0.000 1.023 221 R CA -0.472 55.605 56.100 -0.037 0.000 1.009 221 R CB 2.638 32.924 30.300 -0.024 0.000 1.250 221 R HN -0.037 8.216 8.270 -0.029 0.000 0.518 222 D N 3.834 124.201 120.400 -0.054 0.000 2.458 222 D HA -0.095 4.499 4.640 -0.076 0.000 0.243 222 D C 1.292 177.534 176.300 -0.097 0.000 1.146 222 D CA 1.716 55.677 54.000 -0.065 0.000 0.877 222 D CB 0.035 40.822 40.800 -0.022 0.000 1.176 222 D HN 0.285 8.636 8.370 -0.032 0.000 0.461 223 G N 2.240 110.939 108.800 -0.168 0.000 2.179 223 G HA2 -0.478 3.455 3.960 -0.045 0.000 0.260 223 G HA3 -0.478 3.421 3.960 -0.103 0.000 0.260 223 G C -0.887 173.846 174.900 -0.277 0.000 0.977 223 G CA 0.264 45.274 45.100 -0.150 0.000 0.641 223 G HN 0.396 8.569 8.290 -0.196 0.000 0.533 224 K N -0.574 119.575 120.400 -0.417 0.000 2.208 224 K HA 0.370 4.593 4.320 -0.163 0.000 0.247 224 K C -1.482 174.678 176.600 -0.734 0.000 0.953 224 K CA -1.685 54.398 56.287 -0.340 0.000 0.837 224 K CB 2.024 34.465 32.500 -0.098 0.000 1.131 224 K HN -0.628 7.332 8.250 -0.367 0.070 0.431 225 Y N -2.124 118.179 120.300 0.004 0.000 2.545 225 Y HA 0.099 4.602 4.550 -0.077 0.000 0.348 225 Y C -0.095 175.679 175.900 -0.211 0.000 1.002 225 Y CA -1.039 56.985 58.100 -0.127 0.000 1.039 225 Y CB 3.531 41.828 38.460 -0.273 0.000 1.271 225 Y HN -0.010 8.304 8.280 0.056 0.000 0.467 226 G N -0.802 107.958 108.800 -0.067 0.000 2.432 226 G HA2 0.241 4.104 3.960 -0.161 0.000 0.257 226 G HA3 0.241 4.071 3.960 -0.216 0.000 0.257 226 G C -2.064 172.488 174.900 -0.579 0.000 1.238 226 G CA -0.551 44.411 45.100 -0.230 0.000 0.838 226 G HN -0.025 8.288 8.290 0.038 0.000 0.547 227 F N 1.741 121.170 119.950 -0.868 0.000 2.480 227 F HA 0.749 5.077 4.527 -0.616 -0.171 0.329 227 F C -0.866 174.303 175.800 -1.051 0.000 1.091 227 F CA -1.275 56.153 58.000 -0.953 0.000 0.972 227 F CB 3.747 41.786 39.000 -1.601 0.000 1.150 227 F HN 0.338 8.272 8.300 -0.611 0.000 0.467 228 Y N 0.096 120.048 120.300 -0.580 0.000 2.477 228 Y HA 0.681 5.214 4.550 -0.351 -0.193 0.347 228 Y C 0.192 175.831 175.900 -0.436 0.000 0.981 228 Y CA -1.830 55.881 58.100 -0.647 0.000 1.033 228 Y CB 3.589 41.230 38.460 -1.364 0.000 1.245 228 Y HN 0.704 8.699 8.280 -0.475 0.000 0.455 229 T N 5.951 120.499 114.554 -0.009 0.000 2.870 229 T HA -0.029 4.552 4.350 0.152 -0.140 0.300 229 T C -0.747 174.092 174.700 0.232 0.000 0.989 229 T CA 0.857 63.034 62.100 0.128 0.000 1.139 229 T CB 0.318 69.278 68.868 0.154 0.000 0.920 229 T HN 0.349 8.607 8.240 0.030 0.000 0.537 230 H N 8.948 128.153 119.070 0.225 0.000 3.067 230 H HA 0.056 4.941 4.556 0.547 0.000 0.265 230 H C 0.364 175.845 175.328 0.255 0.000 1.234 230 H CA -0.546 55.716 56.048 0.357 0.000 1.452 230 H CB -0.246 29.707 29.762 0.318 0.000 1.527 230 H HN 0.028 8.445 8.280 0.399 0.102 0.486 231 V N 7.880 128.065 119.914 0.452 0.000 2.287 231 V HA -0.468 3.832 4.120 0.299 0.000 0.248 231 V C 1.937 178.239 176.094 0.346 0.000 1.053 231 V CA 4.080 66.590 62.300 0.350 0.000 1.027 231 V CB -0.349 31.655 31.823 0.302 0.000 0.646 231 V HN -0.255 8.183 8.190 0.414 0.000 0.447 232 F N -1.000 119.165 119.950 0.359 0.000 2.126 232 F HA -0.275 4.363 4.527 0.184 0.000 0.299 232 F C 1.502 177.406 175.800 0.173 0.000 1.096 232 F CA 2.772 60.922 58.000 0.250 0.000 1.255 232 F CB -0.129 39.007 39.000 0.226 0.000 0.997 232 F HN -0.341 8.338 8.300 0.632 0.000 0.479 233 R N -3.165 117.266 120.500 -0.115 0.000 2.193 233 R HA -0.273 3.778 4.340 -0.481 0.000 0.229 233 R C 1.224 177.401 176.300 -0.206 0.000 1.110 233 R CA 2.162 58.058 56.100 -0.340 0.000 0.988 233 R CB -0.279 29.797 30.300 -0.374 0.000 0.871 233 R HN -0.566 7.854 8.270 0.250 0.000 0.458 234 L N -3.761 117.433 121.223 -0.049 0.000 2.769 234 L HA 0.326 4.720 4.340 0.090 0.000 0.240 234 L C -0.082 176.869 176.870 0.135 0.000 1.163 234 L CA -0.868 54.027 54.840 0.093 0.000 0.962 234 L CB -0.192 41.971 42.059 0.173 0.000 1.258 234 L HN -0.472 7.625 8.230 0.024 0.147 0.513 235 K N 1.483 121.848 120.400 -0.058 0.000 2.148 235 K HA -0.365 3.989 4.320 0.056 0.000 0.204 235 K C 1.466 178.052 176.600 -0.022 0.000 1.050 235 K CA 3.760 60.031 56.287 -0.027 0.000 0.942 235 K CB -0.259 32.196 32.500 -0.074 0.000 0.724 235 K HN -0.266 7.688 8.250 -0.236 0.155 0.446 236 K N -1.346 119.029 120.400 -0.041 0.000 2.063 236 K HA -0.345 3.952 4.320 -0.037 0.000 0.208 236 K C 2.193 178.815 176.600 0.038 0.000 1.048 236 K CA 3.269 59.550 56.287 -0.010 0.000 0.928 236 K CB -0.528 31.969 32.500 -0.004 0.000 0.713 236 K HN 0.086 8.278 8.250 -0.096 0.000 0.442 237 W N 0.091 121.366 121.300 -0.042 0.000 2.381 237 W HA -0.288 4.326 4.660 -0.076 0.000 0.301 237 W C 1.514 177.985 176.519 -0.079 0.000 1.205 237 W CA 3.600 60.913 57.345 -0.053 0.000 1.285 237 W CB 0.037 29.489 29.460 -0.013 0.000 1.133 237 W HN -0.779 7.590 8.180 0.314 0.000 0.521 238 I N -0.910 119.584 120.570 -0.125 0.000 2.163 238 I HA -0.731 3.001 4.170 -0.730 0.000 0.243 238 I C 1.947 177.776 176.117 -0.479 0.000 1.085 238 I CA 3.948 65.011 61.300 -0.394 0.000 1.347 238 I CB -0.406 37.543 38.000 -0.085 0.000 1.044 238 I HN -0.624 7.683 8.210 0.162 0.000 0.408 239 Q N -0.817 118.810 119.800 -0.288 0.000 2.084 239 Q HA -0.382 3.791 4.340 -0.278 0.000 0.202 239 Q C 1.797 177.607 176.000 -0.317 0.000 0.978 239 Q CA 2.975 58.621 55.803 -0.261 0.000 0.844 239 Q CB -0.539 28.113 28.738 -0.142 0.000 0.898 239 Q HN -0.009 8.148 8.270 -0.188 0.000 0.426 240 K N -0.193 120.017 120.400 -0.317 0.000 2.032 240 K HA -0.353 3.823 4.320 -0.240 0.000 0.209 240 K C 2.367 178.724 176.600 -0.404 0.000 1.048 240 K CA 3.471 59.575 56.287 -0.305 0.000 0.927 240 K CB -0.225 32.137 32.500 -0.230 0.000 0.712 240 K HN -0.585 7.494 8.250 -0.286 0.000 0.441 241 V N -0.430 119.120 119.914 -0.607 0.000 2.261 241 V HA -0.416 3.526 4.120 -0.297 0.000 0.246 241 V C 2.102 177.867 176.094 -0.548 0.000 1.047 241 V CA 4.545 66.494 62.300 -0.585 0.000 1.015 241 V CB -0.121 31.097 31.823 -1.008 0.000 0.642 241 V HN -0.451 7.268 8.190 -0.784 0.000 0.446 242 I N -1.098 119.020 120.570 -0.753 0.000 2.226 242 I HA -0.492 3.108 4.170 -0.950 0.000 0.245 242 I C 1.791 177.713 176.117 -0.326 0.000 1.100 242 I CA 3.597 64.450 61.300 -0.744 0.000 1.374 242 I CB -0.220 37.275 38.000 -0.842 0.000 1.057 242 I HN -0.412 7.332 8.210 -0.777 0.000 0.413 243 D N -1.660 118.561 120.400 -0.298 0.000 2.144 243 D HA -0.195 4.352 4.640 -0.154 0.000 0.199 243 D C 1.404 177.570 176.300 -0.223 0.000 0.984 243 D CA 2.476 56.352 54.000 -0.205 0.000 0.834 243 D CB 0.171 40.858 40.800 -0.189 0.000 0.955 243 D HN -0.237 7.932 8.370 -0.335 0.000 0.465 244 Q N -2.537 117.050 119.800 -0.354 0.000 2.096 244 Q HA -0.138 3.940 4.340 -0.436 0.000 0.197 244 Q C 0.458 176.109 176.000 -0.582 0.000 0.964 244 Q CA 2.122 57.579 55.803 -0.576 0.000 0.838 244 Q CB 1.177 29.349 28.738 -0.944 0.000 0.906 244 Q HN -0.735 7.307 8.270 -0.380 0.000 0.444 245 F N 0.000 119.925 119.950 -0.041 0.000 2.286 245 F HA 0.000 4.590 4.527 0.106 0.000 0.279 245 F CA 0.000 58.062 58.000 0.103 0.000 1.383 245 F CB 0.000 39.060 39.000 0.100 0.000 1.145 245 F HN 0.000 8.224 8.300 -0.126 0.000 0.574