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 1hj8_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYECKAY SQPHQVSLNX XSGYHFCGGS LVNENWVVSA AHCYKSRVEV DATA SEQUENCE RLXGEHNIKV TEGSEQFISS SRVIRHPNYS SYNIDNDIML IKLSKPATLN DATA SEQUENCE TYVQPVALPT XScAPXAGTM cTVSGWGNTM SSTADXSNKL QCLNIPILSY DATA SEQUENCE SDCNNSYPGM ITNAMFCAYL EGKDSCQGDS GGPVVcNGEX XXXLQGVVSW DATA SEQUENCE GYXGCEPGNP GVYAKVcIFN DWLTSTMASY 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 4.180 4.170 0.017 0.000 0.288 16 I C 0.000 176.119 176.117 0.003 0.000 1.063 16 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 16 I CB 0.000 37.956 38.000 -0.074 0.000 1.214 17 V N 6.010 125.941 119.914 0.027 0.000 2.394 17 V HA 0.246 4.540 4.120 0.024 -0.159 0.282 17 V C 0.814 176.929 176.094 0.034 0.000 1.031 17 V CA -1.873 60.446 62.300 0.032 0.000 0.881 17 V CB 0.177 32.026 31.823 0.043 0.000 0.982 17 V HN 0.813 9.027 8.190 0.040 0.000 0.451 18 G N 7.218 116.034 108.800 0.026 0.000 2.143 18 G HA2 -0.362 3.747 3.960 0.021 0.000 0.249 18 G HA3 -0.362 3.612 3.960 0.022 0.000 0.249 18 G C -0.919 174.011 174.900 0.049 0.000 0.981 18 G CA 0.342 45.458 45.100 0.027 0.000 0.665 18 G HN 0.741 9.045 8.290 0.022 0.000 0.528 19 G N -0.697 108.124 108.800 0.035 0.000 2.641 19 G HA2 0.430 4.577 3.960 -0.079 0.000 0.239 19 G HA3 0.430 4.464 3.960 0.123 0.000 0.239 19 G C -2.010 172.951 174.900 0.101 0.000 1.402 19 G CA -1.614 43.507 45.100 0.035 0.000 1.046 19 G HN -0.508 7.742 8.290 0.014 0.048 0.565 20 Y N -6.887 113.411 120.300 -0.004 0.000 2.588 20 Y HA 0.346 4.897 4.550 0.001 0.000 0.343 20 Y C -2.359 173.541 175.900 -0.001 0.000 1.065 20 Y CA -2.606 55.493 58.100 -0.000 0.000 1.038 20 Y CB 2.249 40.711 38.460 0.003 0.000 1.297 20 Y HN 0.306 8.320 8.280 -0.443 0.000 0.467 21 E N 1.931 122.204 120.200 0.123 0.000 2.366 21 E HA -0.136 4.331 4.350 -0.021 -0.130 0.266 21 E C -0.135 176.548 176.600 0.138 0.000 1.015 21 E CA 0.241 56.687 56.400 0.077 0.000 0.906 21 E CB 0.213 29.995 29.700 0.138 0.000 0.979 21 E HN 0.151 8.619 8.360 0.179 0.000 0.443 22 C N 7.020 126.344 119.300 0.040 0.000 2.611 22 C HA -0.191 4.312 4.460 0.072 0.000 0.416 22 C C 0.741 175.807 174.990 0.127 0.000 1.366 22 C CA 0.765 59.828 59.018 0.076 0.000 1.761 22 C CB -0.662 27.080 27.740 0.003 0.000 2.619 22 C HN 0.016 8.230 8.230 -0.026 0.000 0.606 23 K N 3.630 124.096 120.400 0.110 0.000 2.180 23 K HA -0.039 4.261 4.320 -0.032 0.000 0.251 23 K C -0.066 176.455 176.600 -0.132 0.000 1.014 23 K CA -0.266 56.019 56.287 -0.004 0.000 0.913 23 K CB 0.684 33.203 32.500 0.031 0.000 1.008 23 K HN 0.155 8.514 8.250 0.182 0.000 0.490 24 A N 0.190 122.839 122.820 -0.285 0.000 2.531 24 A HA -0.147 3.872 4.320 -0.502 0.000 0.236 24 A C -0.199 177.117 177.584 -0.448 0.000 1.062 24 A CA 1.622 53.312 52.037 -0.577 0.000 0.760 24 A CB -0.157 18.231 19.000 -1.020 0.000 0.995 24 A HN 0.092 8.091 8.150 -0.250 0.000 0.501 25 Y N -4.890 115.418 120.300 0.013 0.000 4.784 25 Y HA -0.364 4.185 4.550 -0.002 0.000 0.278 25 Y C -0.191 175.723 175.900 0.023 0.000 0.980 25 Y CA 0.404 58.504 58.100 0.000 0.000 1.845 25 Y CB -1.891 36.547 38.460 -0.038 0.000 1.177 25 Y HN -0.012 8.094 8.280 -0.290 0.000 0.460 26 S N -1.188 114.584 115.700 0.120 0.000 2.600 26 S HA -0.029 4.516 4.470 0.125 0.000 0.265 26 S C 0.059 174.694 174.600 0.059 0.000 1.325 26 S CA 0.484 58.745 58.200 0.101 0.000 1.002 26 S CB 1.384 64.638 63.200 0.091 0.000 0.921 26 S HN -0.675 7.548 8.310 0.064 0.126 0.554 27 Q N -3.685 116.128 119.800 0.021 0.000 2.439 27 Q HA -0.232 4.031 4.340 -0.129 0.000 0.325 27 Q C -0.679 175.168 176.000 -0.255 0.000 1.372 27 Q CA 0.044 55.743 55.803 -0.173 0.000 0.909 27 Q CB -2.662 25.930 28.738 -0.244 0.000 1.167 27 Q HN 0.631 8.913 8.270 0.020 0.000 0.418 28 P HA -0.013 4.454 4.420 0.079 0.000 0.237 28 P C 0.020 177.350 177.300 0.050 0.000 1.178 28 P CA 1.544 64.678 63.100 0.057 0.000 0.766 28 P CB -0.098 31.677 31.700 0.125 0.000 0.876 29 H N -4.857 114.269 119.070 0.094 0.000 2.548 29 H HA 0.185 4.992 4.556 0.097 -0.193 0.268 29 H C -0.557 174.829 175.328 0.097 0.000 0.975 29 H CA -0.835 55.267 56.048 0.090 0.000 1.195 29 H CB -0.570 29.235 29.762 0.072 0.000 1.397 29 H HN -0.012 8.089 8.280 -0.205 0.057 0.572 30 Q N 1.984 121.575 119.800 -0.348 0.000 2.311 30 Q HA 0.077 4.536 4.340 -0.046 -0.146 0.272 30 Q C -0.231 175.835 176.000 0.110 0.000 1.012 30 Q CA 0.495 56.224 55.803 -0.122 0.000 0.891 30 Q CB 0.450 29.034 28.738 -0.257 0.000 1.201 30 Q HN -0.587 7.181 8.270 -0.574 0.157 0.391 31 V N 0.634 120.656 119.914 0.180 0.000 2.960 31 V HA 0.697 5.068 4.120 0.234 -0.111 0.315 31 V C -2.057 174.213 176.094 0.294 0.000 1.087 31 V CA -3.409 59.016 62.300 0.209 0.000 0.982 31 V CB 3.186 35.075 31.823 0.109 0.000 1.039 31 V HN 0.112 8.395 8.190 0.155 0.000 0.437 32 S N 1.220 117.009 115.700 0.149 0.000 2.451 32 S HA 0.424 5.267 4.470 0.227 -0.236 0.301 32 S C -0.744 173.759 174.600 -0.162 0.000 1.116 32 S CA -1.596 56.630 58.200 0.044 0.000 1.093 32 S CB 1.184 64.242 63.200 -0.238 0.000 1.017 32 S HN -0.077 8.277 8.310 0.074 0.000 0.482 33 L N 7.487 128.491 121.223 -0.364 0.000 2.276 33 L HA 0.531 4.779 4.340 -0.367 -0.128 0.286 33 L C -0.920 175.546 176.870 -0.673 0.000 1.061 33 L CA -0.406 54.085 54.840 -0.581 0.000 0.807 33 L CB 0.462 41.990 42.059 -0.884 0.000 1.177 33 L HN 0.493 8.490 8.230 -0.389 0.000 0.429 38 G N 0.106 108.702 108.800 -0.341 0.000 2.201 38 G HA2 -0.133 3.811 3.960 -0.028 0.000 0.212 38 G HA3 -0.133 3.790 3.960 -0.063 0.000 0.212 38 G C -1.601 173.321 174.900 0.038 0.000 0.994 38 G CA -0.038 44.990 45.100 -0.120 0.000 0.644 38 G HN 0.199 8.322 8.290 -0.279 0.000 0.508 39 Y N -7.930 112.373 120.300 0.004 0.000 2.661 39 Y HA 0.069 4.618 4.550 -0.002 0.000 0.339 39 Y C -2.495 173.444 175.900 0.065 0.000 1.186 39 Y CA -2.372 55.743 58.100 0.025 0.000 1.137 39 Y CB 0.914 39.399 38.460 0.041 0.000 1.354 39 Y HN -0.893 7.140 8.280 -0.467 -0.033 0.469 40 H N 3.620 122.731 119.070 0.070 0.000 2.964 40 H HA -0.109 4.671 4.556 -0.163 -0.321 0.328 40 H C -0.618 174.848 175.328 0.230 0.000 1.030 40 H CA 1.172 57.208 56.048 -0.020 0.000 1.445 40 H CB 0.532 30.221 29.762 -0.122 0.000 1.449 40 H HN 0.188 8.614 8.280 0.244 0.000 0.581 41 F N 2.764 122.367 119.950 -0.579 0.000 2.871 41 F HA 0.322 4.788 4.527 -0.102 0.000 0.344 41 F C -2.018 173.543 175.800 -0.398 0.000 1.078 41 F CA -0.707 57.121 58.000 -0.288 0.000 1.149 41 F CB 1.935 40.923 39.000 -0.019 0.000 1.087 41 F HN -0.122 7.603 8.300 -0.959 0.000 0.557 42 C N -4.746 113.871 119.300 -1.137 0.000 3.056 42 C HA 0.430 4.902 4.460 -0.235 -0.153 0.336 42 C C -1.781 173.004 174.990 -0.342 0.000 1.356 42 C CA -0.898 57.799 59.018 -0.535 0.000 1.216 42 C CB 1.632 29.146 27.740 -0.376 0.000 1.391 42 C HN -0.818 6.457 8.230 -1.593 0.000 0.445 43 G N -1.478 107.304 108.800 -0.030 0.000 2.613 43 G HA2 0.808 4.865 3.960 0.162 0.000 0.303 43 G HA3 0.808 5.047 3.960 0.205 -0.156 0.303 43 G C -1.944 172.961 174.900 0.008 0.000 1.312 43 G CA -1.656 43.507 45.100 0.105 0.000 1.036 43 G HN 0.323 8.611 8.290 -0.004 0.000 0.513 44 G N -3.712 105.130 108.800 0.070 0.000 2.495 44 G HA2 0.310 4.297 3.960 0.045 0.000 0.294 44 G HA3 0.310 4.592 3.960 0.060 -0.285 0.294 44 G C -2.620 172.353 174.900 0.123 0.000 1.397 44 G CA 0.330 45.471 45.100 0.068 0.000 0.790 44 G HN -0.611 7.749 8.290 0.116 0.000 0.486 45 S N -0.891 114.894 115.700 0.141 0.000 2.594 45 S HA 0.783 5.613 4.470 0.245 -0.213 0.296 45 S C -1.236 173.470 174.600 0.177 0.000 1.124 45 S CA -0.168 58.155 58.200 0.205 0.000 1.011 45 S CB 3.075 66.404 63.200 0.215 0.000 1.016 45 S HN 0.166 8.550 8.310 0.122 0.000 0.485 46 L N 6.236 127.575 121.223 0.194 0.000 2.410 46 L HA 0.111 4.677 4.340 0.157 -0.131 0.273 46 L C -0.270 176.696 176.870 0.160 0.000 1.144 46 L CA 0.308 55.249 54.840 0.169 0.000 0.863 46 L CB 1.390 43.546 42.059 0.161 0.000 1.140 46 L HN 0.545 8.905 8.230 0.217 0.000 0.463 47 V N 0.910 120.916 119.914 0.152 0.000 3.556 47 V HA 0.560 4.913 4.120 0.097 -0.175 0.287 47 V C -0.982 175.186 176.094 0.124 0.000 1.422 47 V CA -1.671 60.700 62.300 0.118 0.000 1.038 47 V CB 0.724 32.603 31.823 0.093 0.000 0.850 47 V HN 0.424 8.718 8.190 0.174 0.000 0.437 48 N N -0.887 117.911 118.700 0.163 0.000 3.339 48 N HA 0.026 4.845 4.740 0.131 0.000 0.275 48 N C -0.141 175.467 175.510 0.164 0.000 1.514 48 N CA 0.001 53.149 53.050 0.163 0.000 0.879 48 N CB 0.817 39.416 38.487 0.187 0.000 1.557 48 N HN -0.870 7.621 8.380 0.184 0.000 0.524 49 E N -2.938 117.349 120.200 0.145 0.000 2.265 49 E HA -0.302 4.104 4.350 0.094 0.000 0.196 49 E C 0.579 177.227 176.600 0.080 0.000 0.996 49 E CA 3.554 60.017 56.400 0.105 0.000 0.832 49 E CB -0.243 29.511 29.700 0.090 0.000 0.756 49 E HN 0.401 8.851 8.360 0.150 0.000 0.491 50 N N -3.776 114.986 118.700 0.103 0.000 2.197 50 N HA 0.242 4.909 4.740 -0.122 0.000 0.201 50 N C -1.646 173.687 175.510 -0.296 0.000 1.148 50 N CA 0.280 53.272 53.050 -0.097 0.000 0.883 50 N CB 2.372 40.798 38.487 -0.101 0.000 1.012 50 N HN -0.329 8.377 8.380 0.198 -0.206 0.507 51 W N -2.774 118.532 121.300 0.010 0.000 3.138 51 W HA 0.606 5.450 4.660 -0.017 -0.193 0.331 51 W C -2.089 174.439 176.519 0.015 0.000 1.166 51 W CA -0.774 56.566 57.345 -0.010 0.000 1.212 51 W CB 3.826 33.260 29.460 -0.044 0.000 1.399 51 W HN -0.516 7.906 8.180 0.246 -0.094 0.514 52 V N 0.975 121.051 119.914 0.271 0.000 2.680 52 V HA 0.724 5.132 4.120 0.176 -0.183 0.309 52 V C -1.353 174.854 176.094 0.189 0.000 1.052 52 V CA -2.056 60.355 62.300 0.185 0.000 0.908 52 V CB 3.377 35.266 31.823 0.110 0.000 1.001 52 V HN 0.736 9.096 8.190 0.283 0.000 0.431 53 V N 6.649 126.652 119.914 0.148 0.000 2.427 53 V HA 0.547 4.932 4.120 0.141 -0.180 0.286 53 V C -1.409 174.743 176.094 0.096 0.000 1.034 53 V CA -0.913 61.463 62.300 0.127 0.000 0.893 53 V CB 1.428 33.320 31.823 0.115 0.000 0.982 53 V HN 0.424 8.700 8.190 0.143 0.000 0.452 54 S N 6.727 122.471 115.700 0.074 0.000 2.903 54 S HA 0.591 5.273 4.470 0.029 -0.195 0.314 54 S C -1.973 172.622 174.600 -0.009 0.000 1.177 54 S CA -2.215 55.999 58.200 0.023 0.000 0.859 54 S CB 3.191 66.387 63.200 -0.007 0.000 1.265 54 S HN 0.279 8.644 8.310 0.091 0.000 0.584 55 A N -0.265 122.507 122.820 -0.079 0.000 2.301 55 A HA 0.493 4.938 4.320 -0.088 -0.177 0.312 55 A C 1.033 178.500 177.584 -0.195 0.000 1.182 55 A CA -1.306 50.648 52.037 -0.139 0.000 0.826 55 A CB 1.362 20.217 19.000 -0.242 0.000 1.134 55 A HN 0.292 8.381 8.150 -0.102 0.000 0.501 56 A N 5.760 128.427 122.820 -0.255 0.000 1.978 56 A HA -0.259 3.914 4.320 -0.245 0.000 0.220 56 A C 1.418 178.709 177.584 -0.489 0.000 1.170 56 A CA 2.822 54.591 52.037 -0.448 0.000 0.636 56 A CB -0.417 18.076 19.000 -0.844 0.000 0.810 56 A HN 0.642 8.664 8.150 -0.223 -0.006 0.448 57 H N -5.313 113.533 119.070 -0.375 0.000 2.559 57 H HA -0.119 4.349 4.556 -0.147 0.000 0.273 57 H C 0.062 175.413 175.328 0.037 0.000 1.000 57 H CA 1.502 57.484 56.048 -0.111 0.000 1.195 57 H CB -0.579 29.221 29.762 0.064 0.000 1.368 57 H HN -0.040 8.407 8.280 -0.226 -0.303 0.592 58 C N -0.955 118.232 119.300 -0.188 0.000 2.697 58 C HA -0.006 4.530 4.460 0.127 0.000 0.267 58 C C -0.685 174.403 174.990 0.162 0.000 1.278 58 C CA -0.274 58.761 59.018 0.029 0.000 1.708 58 C CB -1.787 25.914 27.740 -0.065 0.000 1.860 58 C HN -0.474 7.407 8.230 -0.284 0.179 0.589 59 Y N 2.783 123.073 120.300 -0.017 0.000 2.712 59 Y HA -0.258 4.302 4.550 0.018 0.000 0.333 59 Y C -0.814 175.084 175.900 -0.003 0.000 1.225 59 Y CA 1.714 59.813 58.100 -0.002 0.000 1.499 59 Y CB 0.499 38.936 38.460 -0.038 0.000 1.288 59 Y HN -0.700 7.501 8.280 0.151 0.170 0.575 60 K N 6.205 126.144 120.400 -0.768 0.000 2.502 60 K HA 0.243 4.140 4.320 -0.705 0.000 0.257 60 K C -1.305 174.718 176.600 -0.961 0.000 0.938 60 K CA -1.451 54.380 56.287 -0.759 0.000 0.819 60 K CB 2.332 34.577 32.500 -0.426 0.000 1.333 60 K HN -0.289 7.553 8.250 -0.680 0.000 0.434 61 S N -0.556 114.762 115.700 -0.638 0.000 2.400 61 S HA -0.220 4.041 4.470 -0.349 0.000 0.232 61 S C -0.479 173.994 174.600 -0.212 0.000 1.025 61 S CA 1.792 59.794 58.200 -0.331 0.000 0.993 61 S CB 0.290 63.443 63.200 -0.079 0.000 0.808 61 S HN 0.301 8.341 8.310 -0.451 0.000 0.478 62 R N -4.804 115.577 120.500 -0.200 0.000 2.668 62 R HA 0.376 4.646 4.340 -0.117 0.000 0.272 62 R C -2.425 173.800 176.300 -0.124 0.000 1.019 62 R CA -1.399 54.623 56.100 -0.130 0.000 0.894 62 R CB 3.019 33.266 30.300 -0.089 0.000 1.228 62 R HN -0.896 7.209 8.270 -0.224 0.031 0.460 63 V N -4.857 115.006 119.914 -0.086 0.000 3.049 63 V HA 0.521 4.616 4.120 -0.043 0.000 0.309 63 V C -2.522 173.529 176.094 -0.072 0.000 1.148 63 V CA -2.644 59.627 62.300 -0.049 0.000 0.990 63 V CB 3.793 35.619 31.823 0.005 0.000 1.039 63 V HN 0.379 8.519 8.190 -0.082 0.000 0.430 64 E N 2.663 122.806 120.200 -0.095 0.000 2.174 64 E HA 0.178 4.472 4.350 -0.092 0.000 0.282 64 E C -1.294 175.214 176.600 -0.154 0.000 0.992 64 E CA -1.648 54.678 56.400 -0.124 0.000 0.803 64 E CB 1.875 31.473 29.700 -0.171 0.000 1.090 64 E HN -0.109 8.196 8.360 -0.092 0.000 0.396 65 V N 6.842 126.691 119.914 -0.109 0.000 2.432 65 V HA 0.140 4.314 4.120 -0.122 -0.127 0.275 65 V C -0.845 175.202 176.094 -0.078 0.000 1.043 65 V CA -0.700 61.545 62.300 -0.091 0.000 0.925 65 V CB 0.141 31.940 31.823 -0.039 0.000 0.985 65 V HN 0.592 8.736 8.190 -0.078 0.000 0.466 66 R N 6.970 127.401 120.500 -0.115 0.000 2.288 66 R HA 0.595 5.143 4.340 0.061 -0.171 0.326 66 R C -0.863 175.473 176.300 0.061 0.000 0.959 66 R CA -1.183 54.879 56.100 -0.065 0.000 0.834 66 R CB 1.206 31.304 30.300 -0.336 0.000 1.157 66 R HN 0.512 8.703 8.270 -0.132 0.000 0.470 70 E N -0.634 119.697 120.200 0.219 0.000 2.283 70 E HA 0.045 4.486 4.350 0.151 0.000 0.278 70 E C -1.220 175.615 176.600 0.392 0.000 1.027 70 E CA -0.173 56.365 56.400 0.230 0.000 0.843 70 E CB 0.929 30.691 29.700 0.104 0.000 1.062 70 E HN -0.491 7.978 8.360 0.244 0.037 0.401 71 H N 4.260 123.464 119.070 0.223 0.000 2.274 71 H HA 0.184 4.923 4.556 0.304 0.000 0.271 71 H C -0.611 174.916 175.328 0.332 0.000 0.945 71 H CA 1.984 58.184 56.048 0.254 0.000 1.200 71 H CB 3.071 32.900 29.762 0.110 0.000 1.456 71 H HN 0.095 8.814 8.280 0.271 -0.277 0.536 72 N N 0.157 118.923 118.700 0.110 0.000 2.457 72 N HA 0.297 5.284 4.740 0.003 -0.245 0.250 72 N C 1.614 177.077 175.510 -0.078 0.000 0.982 72 N CA -1.993 51.066 53.050 0.016 0.000 0.941 72 N CB 0.402 38.921 38.487 0.053 0.000 1.120 72 N HN -0.733 8.199 8.380 0.194 -0.436 0.505 73 I N 0.848 121.245 120.570 -0.288 0.000 3.001 73 I HA 0.002 4.130 4.170 -0.375 -0.184 0.268 73 I C 0.079 176.065 176.117 -0.219 0.000 1.267 73 I CA 1.587 62.624 61.300 -0.438 0.000 1.472 73 I CB -0.481 36.978 38.000 -0.901 0.000 1.089 73 I HN -0.013 8.004 8.210 -0.321 0.000 0.468 74 K N -3.025 117.297 120.400 -0.130 0.000 2.367 74 K HA 0.091 4.372 4.320 -0.064 0.000 0.194 74 K C -0.177 176.408 176.600 -0.026 0.000 1.027 74 K CA -0.515 55.734 56.287 -0.064 0.000 1.075 74 K CB 0.647 33.120 32.500 -0.045 0.000 0.845 74 K HN -0.341 8.064 8.250 -0.124 -0.230 0.529 75 V N 0.693 120.596 119.914 -0.019 0.000 2.680 75 V HA 0.105 4.224 4.120 -0.001 0.000 0.309 75 V C -0.871 175.223 176.094 -0.000 0.000 1.052 75 V CA -2.090 60.209 62.300 -0.002 0.000 0.908 75 V CB 2.469 34.296 31.823 0.008 0.000 1.001 75 V HN -0.702 7.412 8.190 -0.031 0.057 0.431 76 T N 7.399 121.948 114.554 -0.009 0.000 2.747 76 T HA 0.049 4.547 4.350 -0.029 -0.165 0.301 76 T C -0.278 174.395 174.700 -0.045 0.000 0.952 76 T CA 0.428 62.508 62.100 -0.032 0.000 0.983 76 T CB -0.307 68.531 68.868 -0.051 0.000 0.930 76 T HN 0.178 8.412 8.240 -0.009 0.000 0.494 77 E N 6.475 126.641 120.200 -0.057 0.000 2.415 77 E HA 0.040 4.358 4.350 -0.053 0.000 0.197 77 E C 0.713 177.242 176.600 -0.117 0.000 1.007 77 E CA -0.009 56.347 56.400 -0.073 0.000 0.890 77 E CB 0.412 30.068 29.700 -0.074 0.000 0.891 77 E HN 0.291 9.104 8.360 -0.055 -0.487 0.496 78 G N -1.426 107.295 108.800 -0.131 0.000 2.176 78 G HA2 -0.366 3.524 3.960 -0.116 0.000 0.232 78 G HA3 -0.366 3.520 3.960 -0.123 0.000 0.232 78 G C 0.151 174.946 174.900 -0.176 0.000 0.986 78 G CA 0.647 45.665 45.100 -0.136 0.000 0.643 78 G HN -0.085 8.380 8.290 -0.124 -0.249 0.522 79 S N 0.347 115.890 115.700 -0.262 0.000 2.535 79 S HA 0.077 4.381 4.470 -0.277 0.000 0.214 79 S C -0.018 174.516 174.600 -0.111 0.000 0.980 79 S CA 0.392 58.394 58.200 -0.330 0.000 0.907 79 S CB 0.265 62.967 63.200 -0.830 0.000 0.790 79 S HN 0.362 8.452 8.310 -0.252 0.068 0.510 80 E N 1.027 121.171 120.200 -0.094 0.000 2.343 80 E HA 0.225 4.826 4.350 0.055 -0.218 0.269 80 E C -0.014 176.559 176.600 -0.044 0.000 1.047 80 E CA -0.368 56.020 56.400 -0.020 0.000 0.874 80 E CB 0.684 30.370 29.700 -0.023 0.000 1.033 80 E HN -0.322 7.899 8.360 -0.131 0.060 0.409 81 Q N 2.398 122.242 119.800 0.074 0.000 2.321 81 Q HA 0.321 4.650 4.340 -0.018 0.000 0.270 81 Q C -1.443 174.731 176.000 0.290 0.000 1.032 81 Q CA -1.245 54.605 55.803 0.079 0.000 0.784 81 Q CB 3.478 32.265 28.738 0.081 0.000 1.264 81 Q HN 0.214 8.566 8.270 0.138 0.000 0.448 82 F N 3.390 123.327 119.950 -0.022 0.000 2.388 82 F HA 0.643 5.318 4.527 -0.036 -0.170 0.358 82 F C -0.597 175.184 175.800 -0.031 0.000 1.122 82 F CA -3.345 54.636 58.000 -0.032 0.000 1.056 82 F CB 1.060 40.037 39.000 -0.039 0.000 1.155 82 F HN 0.383 8.758 8.300 0.124 0.000 0.461 83 I N 2.123 122.770 120.570 0.128 0.000 2.478 83 I HA 0.229 4.431 4.170 0.053 0.000 0.287 83 I C -1.629 174.488 176.117 -0.000 0.000 1.042 83 I CA -1.235 60.094 61.300 0.049 0.000 1.067 83 I CB 3.720 41.736 38.000 0.027 0.000 1.233 83 I HN 0.617 8.888 8.210 0.102 0.000 0.431 84 S N 8.136 123.829 115.700 -0.011 0.000 2.564 84 S HA 0.243 4.812 4.470 -0.046 -0.127 0.278 84 S C 0.641 175.206 174.600 -0.058 0.000 1.333 84 S CA -0.385 57.793 58.200 -0.038 0.000 1.048 84 S CB 0.927 64.108 63.200 -0.032 0.000 0.900 84 S HN 0.489 8.800 8.310 0.001 0.000 0.505 85 S N 6.329 121.988 115.700 -0.069 0.000 2.568 85 S HA 0.178 4.731 4.470 -0.106 -0.147 0.282 85 S C 1.064 175.611 174.600 -0.088 0.000 1.338 85 S CA 0.115 58.262 58.200 -0.088 0.000 1.045 85 S CB 0.526 63.681 63.200 -0.076 0.000 0.873 85 S HN -0.006 8.264 8.310 -0.066 0.000 0.516 86 S N 1.686 117.314 115.700 -0.120 0.000 2.497 86 S HA 0.180 4.606 4.470 -0.073 0.000 0.218 86 S C 0.425 174.976 174.600 -0.082 0.000 1.023 86 S CA 0.339 58.479 58.200 -0.100 0.000 0.913 86 S CB 1.322 64.451 63.200 -0.120 0.000 0.800 86 S HN 0.244 8.458 8.310 -0.159 0.000 0.505 87 R N -0.623 119.821 120.500 -0.094 0.000 2.626 87 R HA 0.287 4.635 4.340 0.013 0.000 0.274 87 R C -2.661 173.658 176.300 0.032 0.000 1.031 87 R CA -0.397 55.693 56.100 -0.017 0.000 0.898 87 R CB 3.779 34.079 30.300 -0.001 0.000 1.222 87 R HN -0.912 7.276 8.270 -0.137 0.000 0.455 88 V N 3.289 123.269 119.914 0.111 0.000 2.443 88 V HA 0.538 4.897 4.120 0.165 -0.140 0.293 88 V C -1.091 175.189 176.094 0.309 0.000 1.021 88 V CA -0.768 61.641 62.300 0.181 0.000 0.848 88 V CB 1.228 33.103 31.823 0.086 0.000 0.998 88 V HN 0.306 8.570 8.190 0.123 0.000 0.424 89 I N 8.508 129.261 120.570 0.305 0.000 2.466 89 I HA 0.227 4.549 4.170 0.253 0.000 0.279 89 I C -1.390 174.920 176.117 0.322 0.000 1.033 89 I CA -1.092 60.385 61.300 0.294 0.000 1.123 89 I CB 1.897 40.066 38.000 0.282 0.000 1.237 89 I HN 0.922 9.310 8.210 0.297 0.000 0.460 90 R N 6.362 126.968 120.500 0.177 0.000 2.641 90 R HA -0.092 4.300 4.340 0.087 0.000 0.269 90 R C -0.284 176.044 176.300 0.046 0.000 1.074 90 R CA -0.217 55.925 56.100 0.070 0.000 1.133 90 R CB 0.725 30.961 30.300 -0.106 0.000 1.029 90 R HN 0.462 8.796 8.270 0.107 0.000 0.488 91 H N 3.588 122.495 119.070 -0.272 0.000 3.064 91 H HA -0.076 3.661 4.556 -1.364 0.000 0.329 91 H C 0.459 175.600 175.328 -0.313 0.000 1.020 91 H CA 0.799 56.406 56.048 -0.735 0.000 1.402 91 H CB 1.532 30.825 29.762 -0.782 0.000 1.379 91 H HN -0.208 8.021 8.280 -0.083 0.000 0.594 92 P HA -0.038 4.320 4.420 -0.103 0.000 0.226 92 P C -0.671 176.620 177.300 -0.015 0.000 1.153 92 P CA 1.483 64.454 63.100 -0.216 0.000 0.777 92 P CB 0.301 31.869 31.700 -0.221 0.000 0.794 93 N N -2.644 116.183 118.700 0.212 0.000 2.238 93 N HA 0.065 4.870 4.740 0.108 0.000 0.222 93 N C -1.317 174.299 175.510 0.176 0.000 1.133 93 N CA -0.459 52.714 53.050 0.205 0.000 0.854 93 N CB 0.229 38.845 38.487 0.215 0.000 1.041 93 N HN -0.483 8.144 8.380 0.493 0.049 0.510 94 Y N 3.291 123.630 120.300 0.065 0.000 2.717 94 Y HA -0.269 4.479 4.550 -0.028 -0.214 0.330 94 Y C 0.083 175.985 175.900 0.004 0.000 1.217 94 Y CA 1.668 59.766 58.100 -0.002 0.000 1.506 94 Y CB 0.392 38.840 38.460 -0.020 0.000 1.268 94 Y HN -0.764 7.633 8.280 0.297 0.061 0.561 95 S N 7.184 122.420 115.700 -0.774 0.000 2.614 95 S HA 0.407 4.559 4.470 -0.530 0.000 0.288 95 S C -0.143 173.942 174.600 -0.857 0.000 1.137 95 S CA -1.237 56.594 58.200 -0.614 0.000 0.992 95 S CB 2.440 65.543 63.200 -0.163 0.000 1.026 95 S HN -0.204 7.679 8.310 -0.712 0.000 0.486 96 S N 5.301 120.607 115.700 -0.656 0.000 2.436 96 S HA -0.093 4.076 4.470 -0.502 0.000 0.228 96 S C 1.371 175.822 174.600 -0.250 0.000 1.014 96 S CA 1.589 59.544 58.200 -0.408 0.000 0.950 96 S CB -0.344 62.792 63.200 -0.107 0.000 0.784 96 S HN 0.729 8.757 8.310 -0.469 0.000 0.504 97 Y N 0.875 121.024 120.300 -0.252 0.000 2.274 97 Y HA -0.156 4.288 4.550 -0.176 0.000 0.290 97 Y C 0.315 176.073 175.900 -0.238 0.000 1.145 97 Y CA 1.432 59.413 58.100 -0.198 0.000 1.203 97 Y CB -0.431 37.937 38.460 -0.152 0.000 0.984 97 Y HN -0.082 8.242 8.280 0.073 0.000 0.533 98 N N -4.605 113.491 118.700 -1.006 0.000 2.143 98 N HA 0.024 4.295 4.740 -0.781 0.000 0.222 98 N C -0.400 174.693 175.510 -0.696 0.000 1.264 98 N CA -0.383 52.098 53.050 -0.947 0.000 0.897 98 N CB 2.511 40.271 38.487 -1.211 0.000 1.092 98 N HN -0.883 6.854 8.380 -0.997 0.044 0.516 99 I N -3.308 116.924 120.570 -0.564 0.000 6.395 99 I HA -0.523 3.646 4.170 -0.209 -0.125 0.126 99 I C -1.874 174.156 176.117 -0.144 0.000 1.812 99 I CA 1.031 62.135 61.300 -0.326 0.000 2.112 99 I CB -3.197 34.532 38.000 -0.452 0.000 3.457 99 I HN -0.459 7.295 8.210 -0.565 0.117 0.192 100 D N -0.262 120.004 120.400 -0.223 0.000 2.302 100 D HA -0.013 4.625 4.640 -0.003 0.000 0.248 100 D C -0.047 176.277 176.300 0.040 0.000 1.094 100 D CA -0.325 53.629 54.000 -0.078 0.000 0.897 100 D CB 1.588 42.309 40.800 -0.130 0.000 1.200 100 D HN -0.781 7.342 8.370 -0.375 0.022 0.429 101 N N -0.034 118.717 118.700 0.085 0.000 2.727 101 N HA -0.414 4.349 4.740 0.039 0.000 0.251 101 N C -1.477 174.031 175.510 -0.004 0.000 1.040 101 N CA 1.386 54.426 53.050 -0.016 0.000 0.712 101 N CB -0.665 37.718 38.487 -0.172 0.000 0.912 101 N HN 0.689 9.138 8.380 0.114 0.000 0.545 102 D N -1.090 119.348 120.400 0.063 0.000 2.713 102 D HA 0.065 4.772 4.640 0.111 0.000 0.229 102 D C -1.674 174.569 176.300 -0.094 0.000 1.136 102 D CA -0.531 53.520 54.000 0.086 0.000 1.010 102 D CB -0.702 40.243 40.800 0.243 0.000 1.084 102 D HN 0.148 8.567 8.370 0.082 0.000 0.495 103 I N 1.287 121.723 120.570 -0.224 0.000 2.827 103 I HA 0.588 4.865 4.170 -0.123 -0.181 0.298 103 I C -2.952 173.116 176.117 -0.083 0.000 1.235 103 I CA -1.282 59.890 61.300 -0.213 0.000 1.021 103 I CB 4.215 41.934 38.000 -0.467 0.000 1.259 103 I HN -0.377 7.645 8.210 -0.230 0.050 0.427 104 M N 5.803 125.446 119.600 0.072 0.000 2.465 104 M HA 0.622 5.423 4.480 0.302 -0.140 0.284 104 M C -2.793 173.659 176.300 0.253 0.000 1.212 104 M CA -0.766 54.655 55.300 0.202 0.000 0.910 104 M CB 4.906 37.572 32.600 0.109 0.000 1.725 104 M HN 0.206 8.534 8.290 0.063 0.000 0.477 105 L N 2.758 124.168 121.223 0.313 0.000 2.329 105 L HA 0.791 5.455 4.340 0.248 -0.175 0.279 105 L C -1.469 175.597 176.870 0.328 0.000 1.014 105 L CA -1.326 53.681 54.840 0.277 0.000 0.814 105 L CB 3.387 45.519 42.059 0.122 0.000 1.257 105 L HN 0.351 8.813 8.230 0.387 0.000 0.424 106 I N 1.654 122.411 120.570 0.311 0.000 2.418 106 I HA 0.460 4.873 4.170 0.132 -0.164 0.287 106 I C -1.546 174.578 176.117 0.010 0.000 1.008 106 I CA -1.311 60.079 61.300 0.151 0.000 1.104 106 I CB 2.669 40.708 38.000 0.065 0.000 1.264 106 I HN 0.723 9.131 8.210 0.329 0.000 0.438 107 K N 7.357 127.551 120.400 -0.344 0.000 2.201 107 K HA 0.459 4.185 4.320 -1.258 -0.161 0.278 107 K C -0.810 175.513 176.600 -0.462 0.000 1.027 107 K CA -1.402 54.340 56.287 -0.908 0.000 0.909 107 K CB 2.213 33.965 32.500 -1.247 0.000 1.062 107 K HN 0.238 8.358 8.250 -0.217 0.000 0.465 108 L N 6.034 127.004 121.223 -0.422 0.000 2.380 108 L HA 0.021 4.258 4.340 -0.170 0.000 0.273 108 L C 0.503 177.250 176.870 -0.205 0.000 1.138 108 L CA 0.251 54.956 54.840 -0.225 0.000 0.832 108 L CB 0.202 42.173 42.059 -0.145 0.000 1.124 108 L HN 0.237 8.147 8.230 -0.534 0.000 0.454 109 S N 1.929 117.550 115.700 -0.131 0.000 2.447 109 S HA -0.139 4.261 4.470 -0.118 0.000 0.233 109 S C -0.246 174.310 174.600 -0.074 0.000 1.006 109 S CA 1.356 59.496 58.200 -0.100 0.000 0.957 109 S CB 0.244 63.405 63.200 -0.066 0.000 0.773 109 S HN 0.476 8.720 8.310 -0.109 0.000 0.507 110 K N -2.220 118.144 120.400 -0.061 0.000 2.502 110 K HA 0.392 4.690 4.320 -0.036 0.000 0.257 110 K C -3.133 173.447 176.600 -0.034 0.000 0.938 110 K CA -3.239 53.026 56.287 -0.037 0.000 0.819 110 K CB 1.134 33.623 32.500 -0.018 0.000 1.333 110 K HN -0.659 7.520 8.250 -0.065 0.032 0.434 111 P HA -0.108 4.449 4.420 -0.011 -0.144 0.268 111 P C -0.851 176.457 177.300 0.014 0.000 1.205 111 P CA -0.484 62.616 63.100 0.000 0.000 0.771 111 P CB 0.498 32.211 31.700 0.021 0.000 0.858 112 A N 3.604 126.440 122.820 0.026 0.000 2.445 112 A HA -0.072 4.376 4.320 0.041 -0.103 0.242 112 A C 0.189 177.802 177.584 0.049 0.000 1.075 112 A CA -0.270 51.794 52.037 0.044 0.000 0.777 112 A CB 1.125 20.162 19.000 0.061 0.000 1.013 112 A HN 0.254 8.419 8.150 0.024 0.000 0.493 113 T N 4.162 118.746 114.554 0.051 0.000 2.749 113 T HA -0.054 4.323 4.350 0.044 0.000 0.295 113 T C -0.976 173.762 174.700 0.064 0.000 0.936 113 T CA 0.776 62.907 62.100 0.051 0.000 1.060 113 T CB 0.226 69.122 68.868 0.045 0.000 0.904 113 T HN -0.077 8.499 8.240 0.052 -0.305 0.500 114 L N 7.597 128.855 121.223 0.058 0.000 2.305 114 L HA 0.129 4.674 4.340 0.073 -0.160 0.281 114 L C -0.579 176.321 176.870 0.049 0.000 1.085 114 L CA -0.251 54.626 54.840 0.060 0.000 0.813 114 L CB 0.291 42.381 42.059 0.053 0.000 1.157 114 L HN 0.364 8.624 8.230 0.050 0.000 0.436 115 N N 4.391 123.121 118.700 0.051 0.000 3.517 115 N HA 0.198 4.942 4.740 0.007 0.000 0.329 115 N C -0.416 175.073 175.510 -0.035 0.000 1.569 115 N CA -0.413 52.653 53.050 0.026 0.000 0.852 115 N CB 0.387 38.919 38.487 0.076 0.000 1.955 115 N HN 0.233 8.650 8.380 0.062 0.000 0.555 116 T N -1.672 112.794 114.554 -0.147 0.000 2.759 116 T HA -0.212 3.962 4.350 -0.293 0.000 0.269 116 T C -0.033 174.440 174.700 -0.380 0.000 1.042 116 T CA 3.898 65.763 62.100 -0.393 0.000 1.140 116 T CB -0.198 68.230 68.868 -0.732 0.000 0.864 116 T HN 0.178 8.355 8.240 -0.104 0.000 0.455 117 Y N -4.451 115.909 120.300 0.101 0.000 2.458 117 Y HA -0.051 4.583 4.550 0.141 0.000 0.254 117 Y C -0.871 175.090 175.900 0.102 0.000 1.120 117 Y CA 1.112 59.281 58.100 0.116 0.000 1.282 117 Y CB 0.847 39.371 38.460 0.106 0.000 1.109 117 Y HN -0.523 7.974 8.280 -0.001 -0.218 0.526 118 V N -0.495 119.531 119.914 0.187 0.000 2.447 118 V HA 0.434 4.830 4.120 0.161 -0.178 0.292 118 V C -1.757 174.407 176.094 0.116 0.000 1.021 118 V CA -1.739 60.654 62.300 0.155 0.000 0.850 118 V CB 0.777 32.690 31.823 0.150 0.000 1.005 118 V HN -0.652 7.756 8.190 0.146 -0.130 0.426 119 Q N 6.204 126.079 119.800 0.125 0.000 2.320 119 Q HA 0.527 4.925 4.340 0.097 0.000 0.272 119 Q C -2.994 173.095 176.000 0.149 0.000 1.023 119 Q CA -3.040 52.832 55.803 0.115 0.000 0.855 119 Q CB 3.818 32.615 28.738 0.099 0.000 1.367 119 Q HN -0.104 8.150 8.270 0.140 0.100 0.406 120 P HA 0.224 4.902 4.420 0.158 -0.162 0.276 120 P C -1.486 175.870 177.300 0.094 0.000 1.244 120 P CA -1.116 62.060 63.100 0.127 0.000 0.801 120 P CB 1.392 33.153 31.700 0.103 0.000 1.006 121 V N 0.255 120.199 119.914 0.050 0.000 2.483 121 V HA 0.172 4.254 4.120 -0.064 0.000 0.295 121 V C -1.442 174.635 176.094 -0.027 0.000 1.035 121 V CA -2.943 59.314 62.300 -0.071 0.000 0.896 121 V CB 2.453 34.070 31.823 -0.343 0.000 0.986 121 V HN 0.338 8.578 8.190 0.084 0.000 0.447 122 A N 8.047 130.850 122.820 -0.029 0.000 2.371 122 A HA 0.149 4.474 4.320 0.007 0.000 0.257 122 A C -1.363 176.216 177.584 -0.008 0.000 1.089 122 A CA -0.535 51.497 52.037 -0.008 0.000 0.794 122 A CB 0.958 19.954 19.000 -0.007 0.000 1.029 122 A HN 0.532 8.658 8.150 -0.040 0.000 0.488 123 L N 2.165 123.394 121.223 0.009 0.000 2.276 123 L HA 0.222 4.579 4.340 0.028 0.000 0.286 123 L C -1.401 175.480 176.870 0.019 0.000 1.061 123 L CA -2.598 52.256 54.840 0.023 0.000 0.807 123 L CB 0.265 42.344 42.059 0.033 0.000 1.177 123 L HN 0.245 8.482 8.230 0.011 0.000 0.429 124 P HA 0.286 4.824 4.420 0.002 -0.118 0.282 124 P C -0.587 176.724 177.300 0.018 0.000 1.249 124 P CA -1.079 62.026 63.100 0.009 0.000 0.806 124 P CB 0.909 32.607 31.700 -0.004 0.000 0.984 128 c N 1.914 120.477 118.600 -0.061 0.000 2.388 128 c HA 0.209 4.717 4.570 -0.104 0.000 0.362 128 c C -0.249 173.771 174.090 -0.117 0.000 1.266 128 c CA -1.028 55.244 56.329 -0.096 0.000 2.028 128 c CB 0.688 43.142 42.510 -0.094 0.000 2.440 128 c HN 0.365 8.562 8.230 -0.055 0.000 0.547 129 A N 5.708 128.425 122.820 -0.170 0.000 2.409 129 A HA 0.102 4.350 4.320 -0.121 0.000 0.262 129 A C -2.065 175.416 177.584 -0.172 0.000 1.113 129 A CA -1.503 50.435 52.037 -0.166 0.000 0.790 129 A CB -0.377 18.504 19.000 -0.198 0.000 1.046 129 A HN 0.143 8.167 8.150 -0.209 0.000 0.496 133 G N 1.522 110.295 108.800 -0.044 0.000 2.241 133 G HA2 -0.346 3.595 3.960 -0.031 0.000 0.244 133 G HA3 -0.346 3.589 3.960 -0.042 0.000 0.244 133 G C -0.078 174.796 174.900 -0.044 0.000 0.998 133 G CA -0.084 44.992 45.100 -0.040 0.000 0.621 133 G HN 0.604 8.653 8.290 -0.046 0.214 0.519 134 T N 4.585 119.104 114.554 -0.058 0.000 2.902 134 T HA -0.229 4.094 4.350 -0.044 0.000 0.301 134 T C -0.787 173.881 174.700 -0.052 0.000 1.012 134 T CA 2.253 64.319 62.100 -0.058 0.000 1.151 134 T CB 0.566 69.384 68.868 -0.083 0.000 0.946 134 T HN -0.421 7.700 8.240 -0.067 0.079 0.542 135 M N 7.476 127.058 119.600 -0.030 0.000 2.146 135 M HA 0.034 4.501 4.480 -0.022 0.000 0.357 135 M C -1.323 174.969 176.300 -0.013 0.000 1.261 135 M CA -0.028 55.264 55.300 -0.013 0.000 1.106 135 M CB 0.831 33.440 32.600 0.015 0.000 1.612 135 M HN 0.115 8.391 8.290 -0.024 0.000 0.470 136 c N 5.630 124.222 118.600 -0.013 0.000 2.973 136 c HA 0.744 5.389 4.570 -0.010 -0.082 0.329 136 c C -0.956 173.141 174.090 0.012 0.000 1.327 136 c CA -1.786 54.534 56.329 -0.014 0.000 1.632 136 c CB 4.378 46.861 42.510 -0.044 0.000 2.098 136 c HN 0.513 8.734 8.230 -0.014 0.000 0.469 137 T N 1.215 115.778 114.554 0.014 0.000 2.841 137 T HA 0.788 5.356 4.350 0.039 -0.195 0.283 137 T C -1.857 172.841 174.700 -0.003 0.000 1.000 137 T CA -1.347 60.770 62.100 0.028 0.000 0.977 137 T CB 2.059 70.962 68.868 0.058 0.000 0.979 137 T HN 0.570 8.814 8.240 0.007 0.000 0.446 138 V N 7.702 127.603 119.914 -0.021 0.000 2.769 138 V HA 1.041 5.376 4.120 -0.013 -0.223 0.312 138 V C -2.501 173.554 176.094 -0.065 0.000 1.061 138 V CA -3.805 58.479 62.300 -0.027 0.000 0.931 138 V CB 3.749 35.562 31.823 -0.018 0.000 1.010 138 V HN 0.386 8.567 8.190 -0.014 0.000 0.433 139 S N 4.464 120.117 115.700 -0.079 0.000 2.579 139 S HA 0.987 5.486 4.470 -0.221 -0.161 0.272 139 S C -1.688 172.778 174.600 -0.225 0.000 1.141 139 S CA -1.349 56.734 58.200 -0.195 0.000 0.843 139 S CB 3.720 66.773 63.200 -0.245 0.000 1.122 139 S HN -0.278 8.010 8.310 -0.038 0.000 0.468 140 G N -0.611 107.957 108.800 -0.387 0.000 2.313 140 G HA2 0.227 4.248 3.960 -0.162 0.000 0.296 140 G HA3 0.227 3.868 3.960 -0.531 0.000 0.296 140 G C -2.149 172.456 174.900 -0.491 0.000 1.356 140 G CA 0.710 45.571 45.100 -0.399 0.000 0.833 140 G HN -0.054 7.967 8.290 -0.447 0.000 0.552 141 W N 0.654 121.874 121.300 -0.134 0.000 3.102 141 W HA 0.566 5.219 4.660 -0.198 -0.112 0.401 141 W C 0.177 176.626 176.519 -0.117 0.000 1.070 141 W CA -1.217 55.988 57.345 -0.233 0.000 1.921 141 W CB 0.255 29.389 29.460 -0.543 0.000 1.118 141 W HN 0.521 8.757 8.180 0.093 0.000 0.647 142 G N 0.616 109.500 108.800 0.140 0.000 2.588 142 G HA2 0.023 4.195 3.960 0.143 0.000 0.278 142 G HA3 0.023 4.111 3.960 0.191 -0.014 0.278 142 G C -2.321 172.633 174.900 0.090 0.000 1.307 142 G CA -0.820 44.367 45.100 0.146 0.000 1.016 142 G HN -0.433 8.152 8.290 0.095 -0.238 0.503 143 N N 0.068 118.821 118.700 0.087 0.000 2.356 143 N HA -0.238 4.538 4.740 0.060 0.000 0.252 143 N C 0.305 175.842 175.510 0.045 0.000 1.241 143 N CA 1.315 54.403 53.050 0.063 0.000 0.861 143 N CB 0.872 39.397 38.487 0.063 0.000 1.075 143 N HN -0.008 8.433 8.380 0.102 0.000 0.461 144 T N -0.743 113.831 114.554 0.034 0.000 3.022 144 T HA -0.070 4.519 4.350 0.020 -0.226 0.250 144 T C 0.599 175.315 174.700 0.026 0.000 1.060 144 T CA 0.095 62.210 62.100 0.024 0.000 1.013 144 T CB 1.538 70.415 68.868 0.014 0.000 0.982 144 T HN 0.117 8.379 8.240 0.036 0.000 0.508 145 M N -0.738 118.880 119.600 0.030 0.000 2.333 145 M HA -0.491 4.006 4.480 0.028 0.000 0.199 145 M C -1.626 174.688 176.300 0.023 0.000 0.376 145 M CA 1.377 56.694 55.300 0.028 0.000 0.440 145 M CB -2.462 30.157 32.600 0.032 0.000 1.506 145 M HN -0.179 8.460 8.290 0.033 -0.329 0.889 146 S N -1.145 114.568 115.700 0.021 0.000 2.547 146 S HA 0.296 4.777 4.470 0.018 0.000 0.281 146 S C -0.073 174.538 174.600 0.018 0.000 1.118 146 S CA -1.068 57.143 58.200 0.019 0.000 0.947 146 S CB 2.045 65.257 63.200 0.019 0.000 1.053 146 S HN -0.635 7.669 8.310 0.022 0.019 0.482 147 S N 3.828 119.538 115.700 0.016 0.000 2.650 147 S HA 0.046 4.525 4.470 0.016 0.000 0.219 147 S C 1.016 175.625 174.600 0.016 0.000 0.960 147 S CA 1.243 59.453 58.200 0.015 0.000 0.925 147 S CB -0.714 62.494 63.200 0.013 0.000 0.775 147 S HN 0.493 8.812 8.310 0.016 0.000 0.525 148 T N -2.851 111.713 114.554 0.018 0.000 3.080 148 T HA 0.080 4.441 4.350 0.019 0.000 0.280 148 T C -1.039 173.674 174.700 0.023 0.000 0.926 148 T CA -0.347 61.765 62.100 0.020 0.000 0.883 148 T CB 1.250 70.130 68.868 0.020 0.000 1.194 148 T HN -0.411 7.798 8.240 0.018 0.042 0.541 149 A N 3.292 126.125 122.820 0.022 0.000 2.309 149 A HA 0.092 4.426 4.320 0.025 0.000 0.290 149 A C -0.977 176.618 177.584 0.018 0.000 1.206 149 A CA -0.200 51.850 52.037 0.021 0.000 0.850 149 A CB 0.840 19.850 19.000 0.017 0.000 1.118 149 A HN -0.705 7.458 8.150 0.021 0.000 0.523 153 N N 2.515 121.265 118.700 0.083 0.000 2.457 153 N HA -0.044 4.729 4.740 0.055 0.000 0.180 153 N C -0.831 174.768 175.510 0.148 0.000 1.050 153 N CA 1.047 54.143 53.050 0.076 0.000 0.906 153 N CB 0.911 39.394 38.487 -0.007 0.000 0.968 153 N HN -0.109 8.531 8.380 0.049 -0.231 0.445 154 K N -0.361 120.076 120.400 0.061 0.000 2.211 154 K HA 0.126 4.466 4.320 -0.208 -0.145 0.275 154 K C -0.862 175.584 176.600 -0.256 0.000 1.024 154 K CA -0.949 55.259 56.287 -0.133 0.000 0.887 154 K CB 0.827 33.277 32.500 -0.083 0.000 1.084 154 K HN -0.678 7.565 8.250 0.042 0.032 0.463 155 L N 5.740 126.644 121.223 -0.531 0.000 2.601 155 L HA -0.263 3.336 4.340 -1.235 0.000 0.277 155 L C -0.888 175.706 176.870 -0.461 0.000 1.219 155 L CA 1.217 55.582 54.840 -0.792 0.000 0.915 155 L CB 0.535 42.136 42.059 -0.764 0.000 1.160 155 L HN -0.010 7.804 8.230 -0.693 0.000 0.494 156 Q N 5.981 125.503 119.800 -0.463 0.000 2.235 156 Q HA 0.595 4.900 4.340 -0.304 -0.147 0.256 156 Q C -0.698 175.058 176.000 -0.406 0.000 0.951 156 Q CA -1.713 53.883 55.803 -0.344 0.000 0.890 156 Q CB 2.198 30.791 28.738 -0.241 0.000 1.279 156 Q HN -0.190 7.734 8.270 -0.577 0.000 0.444 157 C N -2.025 116.935 119.300 -0.567 0.000 3.080 157 C HA 1.108 5.524 4.460 -0.358 -0.171 0.307 157 C C -2.509 172.076 174.990 -0.674 0.000 1.311 157 C CA -3.233 55.453 59.018 -0.552 0.000 1.533 157 C CB 4.548 32.007 27.740 -0.468 0.000 1.970 157 C HN 0.895 8.702 8.230 -0.705 0.000 0.467 158 L N -1.064 120.000 121.223 -0.264 0.000 2.526 158 L HA 0.419 4.797 4.340 0.064 0.000 0.263 158 L C -2.621 174.312 176.870 0.104 0.000 0.943 158 L CA 0.139 54.972 54.840 -0.011 0.000 0.859 158 L CB 4.499 46.567 42.059 0.015 0.000 1.313 158 L HN 0.117 8.230 8.230 -0.196 0.000 0.406 159 N N 5.775 124.601 118.700 0.211 0.000 2.444 159 N HA 0.650 5.688 4.740 0.130 -0.220 0.271 159 N C -0.449 175.184 175.510 0.206 0.000 1.069 159 N CA -0.178 52.979 53.050 0.179 0.000 0.965 159 N CB 0.526 39.124 38.487 0.185 0.000 1.092 159 N HN 0.121 8.667 8.380 0.277 0.000 0.476 160 I N -3.050 117.579 120.570 0.099 0.000 2.582 160 I HA 0.676 4.857 4.170 0.018 0.000 0.292 160 I C -3.023 173.036 176.117 -0.096 0.000 1.066 160 I CA -3.795 57.506 61.300 0.002 0.000 1.053 160 I CB 2.883 40.875 38.000 -0.014 0.000 1.241 160 I HN 0.408 8.654 8.210 0.059 0.000 0.421 161 P HA 0.581 5.149 4.420 -0.093 -0.203 0.290 161 P C -0.543 176.688 177.300 -0.115 0.000 1.275 161 P CA -1.942 61.068 63.100 -0.151 0.000 0.841 161 P CB 1.434 33.026 31.700 -0.180 0.000 1.042 162 I N 0.768 121.302 120.570 -0.060 0.000 2.556 162 I HA -0.072 4.268 4.170 0.091 -0.116 0.284 162 I C 0.521 176.634 176.117 -0.007 0.000 1.114 162 I CA -0.993 60.308 61.300 0.002 0.000 1.418 162 I CB -1.705 36.247 38.000 -0.081 0.000 1.394 162 I HN 0.048 8.216 8.210 -0.071 0.000 0.552 163 L N 6.759 128.006 121.223 0.040 0.000 2.421 163 L HA 0.104 4.432 4.340 -0.019 0.000 0.263 163 L C -0.274 176.619 176.870 0.038 0.000 1.122 163 L CA -0.640 54.207 54.840 0.012 0.000 0.804 163 L CB 0.557 42.617 42.059 0.002 0.000 1.150 163 L HN 0.015 8.306 8.230 0.102 0.000 0.457 164 S N -0.033 115.679 115.700 0.019 0.000 2.573 164 S HA -0.077 4.429 4.470 0.060 0.000 0.277 164 S C 1.076 175.715 174.600 0.065 0.000 1.346 164 S CA -0.404 57.822 58.200 0.045 0.000 1.034 164 S CB 1.449 64.665 63.200 0.028 0.000 0.879 164 S HN 0.231 8.542 8.310 0.001 0.000 0.528 165 Y N 4.209 124.524 120.300 0.025 0.000 2.165 165 Y HA -0.394 4.188 4.550 0.053 0.000 0.286 165 Y C 1.638 177.554 175.900 0.026 0.000 1.155 165 Y CA 3.411 61.533 58.100 0.036 0.000 1.164 165 Y CB -0.644 37.834 38.460 0.030 0.000 0.978 165 Y HN 0.430 8.844 8.280 0.222 0.000 0.513 166 S N -1.424 114.226 115.700 -0.084 0.000 2.370 166 S HA -0.346 3.989 4.470 -0.225 0.000 0.226 166 S C 2.542 177.031 174.600 -0.186 0.000 1.033 166 S CA 3.360 61.471 58.200 -0.149 0.000 1.011 166 S CB -1.338 61.853 63.200 -0.013 0.000 0.852 166 S HN 0.136 8.494 8.310 0.079 0.000 0.457 167 D N 1.396 121.723 120.400 -0.122 0.000 2.144 167 D HA -0.106 4.464 4.640 -0.116 0.000 0.200 167 D C 1.910 178.116 176.300 -0.157 0.000 0.978 167 D CA 2.717 56.646 54.000 -0.118 0.000 0.833 167 D CB -0.299 40.456 40.800 -0.075 0.000 0.961 167 D HN -0.492 7.829 8.370 -0.082 0.000 0.470 168 C N 0.144 119.347 119.300 -0.162 0.000 2.396 168 C HA -0.342 4.064 4.460 -0.089 0.000 0.281 168 C C 2.006 176.887 174.990 -0.181 0.000 1.208 168 C CA 3.205 62.140 59.018 -0.139 0.000 1.754 168 C CB -1.463 26.220 27.740 -0.094 0.000 2.044 168 C HN 0.044 8.186 8.230 -0.147 0.000 0.449 169 N N 0.027 118.511 118.700 -0.361 0.000 2.149 169 N HA -0.447 4.197 4.740 -0.160 0.000 0.188 169 N C 1.812 177.218 175.510 -0.174 0.000 1.019 169 N CA 3.218 56.091 53.050 -0.295 0.000 0.857 169 N CB 0.152 38.321 38.487 -0.530 0.000 0.997 169 N HN -0.081 7.972 8.380 -0.545 0.000 0.426 170 N N -0.921 117.665 118.700 -0.191 0.000 2.166 170 N HA -0.211 4.462 4.740 -0.111 0.000 0.186 170 N C 1.746 177.147 175.510 -0.182 0.000 1.019 170 N CA 2.589 55.553 53.050 -0.144 0.000 0.856 170 N CB 0.190 38.602 38.487 -0.124 0.000 0.993 170 N HN -0.139 8.093 8.380 -0.224 0.014 0.426 171 S N -1.296 114.239 115.700 -0.274 0.000 2.383 171 S HA -0.188 4.024 4.470 -0.430 0.000 0.227 171 S C -0.024 174.186 174.600 -0.651 0.000 1.026 171 S CA 3.157 61.044 58.200 -0.520 0.000 0.981 171 S CB 0.715 63.481 63.200 -0.724 0.000 0.818 171 S HN -0.649 7.497 8.310 -0.250 0.014 0.472 172 Y N -1.708 118.511 120.300 -0.135 0.000 2.584 172 Y HA 0.315 4.782 4.550 -0.137 0.000 0.358 172 Y C -3.101 172.778 175.900 -0.035 0.000 1.028 172 Y CA -3.516 54.521 58.100 -0.104 0.000 1.148 172 Y CB -0.802 37.623 38.460 -0.059 0.000 1.126 172 Y HN -0.748 7.448 8.280 -0.140 0.000 0.658 173 P HA -0.056 4.531 4.420 0.022 -0.153 0.263 173 P C 0.568 177.916 177.300 0.080 0.000 1.195 173 P CA 0.979 64.108 63.100 0.048 0.000 0.762 173 P CB 0.098 31.815 31.700 0.028 0.000 0.799 174 G N 3.354 112.202 108.800 0.079 0.000 2.184 174 G HA2 -0.381 3.625 3.960 0.077 0.000 0.264 174 G HA3 -0.381 3.636 3.960 0.094 0.000 0.264 174 G C 0.139 175.095 174.900 0.093 0.000 0.975 174 G CA 0.677 45.829 45.100 0.088 0.000 0.642 174 G HN 0.464 8.795 8.290 0.068 0.000 0.536 175 M N -1.671 118.001 119.600 0.120 0.000 2.428 175 M HA -0.022 4.478 4.480 0.035 0.000 0.239 175 M C -0.735 175.674 176.300 0.182 0.000 1.121 175 M CA 0.818 56.184 55.300 0.110 0.000 1.019 175 M CB 1.044 33.727 32.600 0.138 0.000 1.485 175 M HN -0.588 7.711 8.290 0.139 0.074 0.484 176 I N 0.218 120.907 120.570 0.199 0.000 2.312 176 I HA 0.100 4.425 4.170 0.260 0.000 0.290 176 I C 0.070 176.325 176.117 0.229 0.000 1.008 176 I CA -2.602 58.836 61.300 0.231 0.000 1.226 176 I CB -1.507 36.608 38.000 0.192 0.000 1.371 176 I HN -0.410 7.846 8.210 0.174 0.059 0.468 177 T N 2.640 117.305 114.554 0.186 0.000 2.880 177 T HA 0.216 4.638 4.350 0.121 0.000 0.279 177 T C 0.810 175.586 174.700 0.126 0.000 0.990 177 T CA -2.230 59.948 62.100 0.130 0.000 0.938 177 T CB 2.810 71.723 68.868 0.076 0.000 1.206 177 T HN -0.504 7.852 8.240 0.193 0.000 0.573 178 N N -0.413 118.320 118.700 0.055 0.000 2.519 178 N HA -0.282 4.459 4.740 0.002 0.000 0.186 178 N C -0.157 175.365 175.510 0.020 0.000 1.062 178 N CA 2.845 55.900 53.050 0.008 0.000 0.910 178 N CB -0.339 38.118 38.487 -0.051 0.000 0.958 178 N HN 0.502 8.905 8.380 0.038 0.000 0.445 179 A N -4.240 118.628 122.820 0.080 0.000 2.423 179 A HA 0.250 4.634 4.320 0.108 0.000 0.246 179 A C -1.657 176.082 177.584 0.258 0.000 1.278 179 A CA -0.743 51.396 52.037 0.171 0.000 0.903 179 A CB 0.674 19.842 19.000 0.280 0.000 0.997 179 A HN -0.737 7.416 8.150 0.080 0.045 0.510 180 M N -1.606 118.129 119.600 0.226 0.000 2.572 180 M HA 0.914 5.703 4.480 0.166 -0.208 0.299 180 M C -1.601 174.874 176.300 0.291 0.000 1.205 180 M CA -0.704 54.716 55.300 0.200 0.000 0.876 180 M CB 4.781 37.478 32.600 0.162 0.000 1.728 180 M HN -0.729 7.521 8.290 0.203 0.161 0.458 181 F N -3.719 116.302 119.950 0.120 0.000 2.626 181 F HA 0.611 5.206 4.527 0.113 0.000 0.311 181 F C -3.032 172.826 175.800 0.097 0.000 1.088 181 F CA -2.484 55.581 58.000 0.109 0.000 0.949 181 F CB 2.297 41.356 39.000 0.099 0.000 1.322 181 F HN 0.202 8.445 8.300 -0.095 0.000 0.461 182 C N -0.597 118.826 119.300 0.205 0.000 2.391 182 C HA 0.990 5.644 4.460 -0.011 -0.200 0.339 182 C C -1.098 174.047 174.990 0.258 0.000 1.205 182 C CA -1.724 57.355 59.018 0.101 0.000 1.937 182 C CB 2.567 30.326 27.740 0.030 0.000 2.341 182 C HN 0.006 8.412 8.230 0.293 0.000 0.516 183 A N 2.585 125.540 122.820 0.225 0.000 2.547 183 A HA 0.555 5.057 4.320 0.076 -0.136 0.279 183 A C -2.504 175.125 177.584 0.074 0.000 1.088 183 A CA -0.053 52.065 52.037 0.134 0.000 0.796 183 A CB 2.528 21.577 19.000 0.082 0.000 1.308 183 A HN 0.330 8.622 8.150 0.237 0.000 0.415 184 Y N 2.482 122.804 120.300 0.037 0.000 2.404 184 Y HA -0.012 4.549 4.550 0.018 0.000 0.344 184 Y C 0.954 176.857 175.900 0.006 0.000 0.970 184 Y CA -1.199 56.913 58.100 0.021 0.000 1.180 184 Y CB 0.745 39.219 38.460 0.023 0.000 1.138 184 Y HN 0.148 8.513 8.280 0.142 0.000 0.510 185 L N 4.661 125.943 121.223 0.098 0.000 2.362 185 L HA -0.310 4.038 4.340 0.014 0.000 0.219 185 L C 1.080 177.980 176.870 0.050 0.000 1.134 185 L CA 2.195 57.057 54.840 0.037 0.000 0.807 185 L CB -0.328 41.727 42.059 -0.007 0.000 0.927 185 L HN 0.594 8.871 8.230 0.077 0.000 0.447 186 E N -3.080 117.172 120.200 0.086 0.000 2.338 186 E HA -0.128 4.246 4.350 0.039 0.000 0.197 186 E C 0.716 177.347 176.600 0.051 0.000 1.007 186 E CA 0.517 56.953 56.400 0.060 0.000 0.849 186 E CB -0.155 29.578 29.700 0.056 0.000 0.774 186 E HN 0.141 8.537 8.360 0.125 0.039 0.506 187 G N -0.612 108.235 108.800 0.078 0.000 3.445 187 G HA2 -0.345 3.644 3.960 0.048 0.000 0.680 187 G HA3 -0.345 3.700 3.960 0.081 -0.037 0.680 187 G C -1.083 173.844 174.900 0.045 0.000 0.972 187 G CA -0.022 45.118 45.100 0.066 0.000 0.798 187 G HN -0.561 7.620 8.290 0.111 0.176 0.461 188 K N 1.289 121.725 120.400 0.060 0.000 6.703 188 K HA -0.573 4.020 4.320 0.070 -0.230 0.800 188 K C -1.682 175.023 176.600 0.175 0.000 2.378 188 K CA 0.182 56.530 56.287 0.101 0.000 1.724 188 K CB 0.103 32.639 32.500 0.060 0.000 2.267 188 K HN 0.164 8.469 8.250 0.091 0.000 0.261 189 D N 0.687 121.166 120.400 0.132 0.000 2.694 189 D HA 0.234 4.977 4.640 0.171 0.000 0.260 189 D C -1.775 174.591 176.300 0.111 0.000 1.250 189 D CA -0.632 53.450 54.000 0.136 0.000 0.763 189 D CB 4.025 44.889 40.800 0.107 0.000 1.311 189 D HN -0.095 8.337 8.370 0.104 0.000 0.420 190 S N -0.917 114.861 115.700 0.130 0.000 2.645 190 S HA 0.255 4.775 4.470 0.084 0.000 0.266 190 S C -1.351 173.289 174.600 0.068 0.000 1.258 190 S CA -0.233 58.028 58.200 0.101 0.000 0.990 190 S CB 1.064 64.357 63.200 0.154 0.000 0.967 190 S HN 0.171 8.584 8.310 0.170 0.000 0.556 191 C N 0.038 119.381 119.300 0.071 0.000 3.336 191 C HA 0.300 4.800 4.460 0.066 0.000 0.339 191 C C 0.001 175.050 174.990 0.098 0.000 1.468 191 C CA -0.185 58.878 59.018 0.075 0.000 1.287 191 C CB 2.852 30.635 27.740 0.070 0.000 1.682 191 C HN -0.019 8.521 8.230 0.078 -0.264 0.451 192 Q N 2.649 122.514 119.800 0.108 0.000 2.029 192 Q HA -0.355 4.070 4.340 0.142 0.000 0.209 192 Q C 2.525 178.630 176.000 0.175 0.000 0.999 192 Q CA 4.023 59.909 55.803 0.138 0.000 0.857 192 Q CB -0.039 28.772 28.738 0.121 0.000 0.926 192 Q HN 0.624 8.952 8.270 0.097 0.000 0.415 193 G N -4.200 104.713 108.800 0.189 0.000 2.527 193 G HA2 -0.281 3.851 3.960 0.288 0.000 0.219 193 G HA3 -0.281 3.826 3.960 0.246 0.000 0.219 193 G C 0.903 175.985 174.900 0.303 0.000 1.117 193 G CA 1.189 46.445 45.100 0.260 0.000 0.759 193 G HN 0.359 8.761 8.290 0.186 0.000 0.556 194 D N 0.206 120.725 120.400 0.198 0.000 2.333 194 D HA 0.019 4.768 4.640 0.181 0.000 0.208 194 D C 0.115 176.496 176.300 0.135 0.000 0.984 194 D CA 1.204 55.299 54.000 0.159 0.000 0.873 194 D CB 0.324 41.188 40.800 0.106 0.000 0.935 194 D HN -0.245 8.069 8.370 0.170 0.158 0.521 195 S N 0.023 115.806 115.700 0.138 0.000 2.573 195 S HA -0.368 4.316 4.470 0.136 -0.132 0.297 195 S C 1.075 175.679 174.600 0.005 0.000 1.280 195 S CA 2.528 60.794 58.200 0.110 0.000 1.061 195 S CB -0.225 63.086 63.200 0.185 0.000 0.812 195 S HN -0.480 7.768 8.310 0.161 0.159 0.500 196 G N 4.711 113.505 108.800 -0.009 0.000 2.253 196 G HA2 -0.439 3.597 3.960 -0.077 0.000 0.251 196 G HA3 -0.439 3.568 3.960 -0.038 -0.069 0.251 196 G C -0.216 174.709 174.900 0.040 0.000 0.998 196 G CA 0.425 45.508 45.100 -0.029 0.000 0.621 196 G HN 0.551 8.859 8.290 0.029 0.000 0.524 197 G N 0.930 109.774 108.800 0.074 0.000 2.621 197 G HA2 0.335 4.343 3.960 0.081 0.000 0.271 197 G HA3 0.335 4.350 3.960 0.092 0.000 0.271 197 G C -2.648 172.321 174.900 0.115 0.000 1.236 197 G CA -1.907 43.248 45.100 0.091 0.000 0.958 197 G HN -0.413 7.830 8.290 0.077 0.093 0.512 198 P HA 0.277 4.892 4.420 0.130 -0.117 0.286 198 P C -1.631 175.723 177.300 0.089 0.000 1.261 198 P CA -0.896 62.285 63.100 0.135 0.000 0.821 198 P CB 1.634 33.479 31.700 0.242 0.000 1.013 199 V N 2.093 122.044 119.914 0.061 0.000 2.350 199 V HA 0.535 5.042 4.120 -0.028 -0.404 0.285 199 V C -0.750 175.355 176.094 0.017 0.000 1.014 199 V CA -1.505 60.790 62.300 -0.009 0.000 0.831 199 V CB 1.354 33.110 31.823 -0.113 0.000 1.000 199 V HN 0.186 8.428 8.190 0.087 0.000 0.433 200 V N 7.874 127.791 119.914 0.004 0.000 2.398 200 V HA 0.512 4.808 4.120 -0.037 -0.199 0.286 200 V C -1.354 174.727 176.094 -0.021 0.000 1.026 200 V CA -1.956 60.330 62.300 -0.022 0.000 0.868 200 V CB 1.285 33.086 31.823 -0.036 0.000 0.982 200 V HN 0.630 8.828 8.190 0.012 0.000 0.443 201 c N 6.232 124.810 118.600 -0.036 0.000 2.396 201 c HA 0.446 4.997 4.570 -0.032 0.000 0.321 201 c C 0.252 174.320 174.090 -0.038 0.000 1.233 201 c CA -1.405 54.899 56.329 -0.042 0.000 1.440 201 c CB 2.153 44.618 42.510 -0.074 0.000 2.110 201 c HN 0.468 8.673 8.230 -0.041 0.000 0.473 202 N N 3.999 122.684 118.700 -0.026 0.000 2.710 202 N HA -0.433 4.300 4.740 -0.013 0.000 0.249 202 N C -0.509 174.989 175.510 -0.021 0.000 1.059 202 N CA 0.856 53.894 53.050 -0.021 0.000 0.720 202 N CB -0.899 37.572 38.487 -0.027 0.000 0.983 202 N HN 1.043 9.411 8.380 -0.020 0.000 0.544 203 G N -6.664 102.123 108.800 -0.021 0.000 2.176 203 G HA2 -0.465 3.484 3.960 -0.018 0.000 0.253 203 G HA3 -0.465 3.483 3.960 -0.021 0.000 0.253 203 G C -1.176 173.692 174.900 -0.053 0.000 0.979 203 G CA -0.005 45.079 45.100 -0.027 0.000 0.641 203 G HN -0.024 8.223 8.290 -0.017 0.032 0.530 210 Q N 0.552 120.377 119.800 0.042 0.000 2.269 210 Q HA 0.048 4.415 4.340 0.045 0.000 0.201 210 Q C 0.000 176.155 176.000 0.258 0.000 0.946 210 Q CA 0.880 56.720 55.803 0.062 0.000 0.877 210 Q CB 1.889 30.582 28.738 -0.075 0.000 0.963 210 Q HN 0.193 8.475 8.270 0.020 0.000 0.472 211 G N -4.514 104.460 108.800 0.290 0.000 2.642 211 G HA2 0.484 4.698 3.960 0.423 0.000 0.293 211 G HA3 0.484 4.979 3.960 0.482 -0.245 0.293 211 G C -3.185 171.845 174.900 0.217 0.000 1.341 211 G CA -0.690 44.637 45.100 0.377 0.000 0.916 211 G HN -0.481 7.921 8.290 0.188 0.000 0.474 212 V N 1.097 121.140 119.914 0.216 0.000 2.487 212 V HA 0.631 5.050 4.120 0.164 -0.201 0.298 212 V C -0.186 176.042 176.094 0.223 0.000 1.028 212 V CA -1.754 60.651 62.300 0.175 0.000 0.860 212 V CB 3.666 35.555 31.823 0.110 0.000 0.991 212 V HN -0.336 7.989 8.190 0.225 0.000 0.427 213 V N 7.112 127.169 119.914 0.239 0.000 2.509 213 V HA -0.302 3.919 4.120 0.170 0.000 0.297 213 V C -0.864 175.271 176.094 0.069 0.000 1.014 213 V CA 1.857 64.258 62.300 0.169 0.000 1.127 213 V CB -1.449 30.477 31.823 0.172 0.000 0.925 213 V HN 0.166 8.482 8.190 0.209 0.000 0.480 214 S N 8.461 124.111 115.700 -0.083 0.000 3.334 214 S HA 0.340 4.999 4.470 0.314 0.000 0.224 214 S C -1.109 173.597 174.600 0.178 0.000 0.959 214 S CA 0.368 58.646 58.200 0.130 0.000 0.815 214 S CB 2.376 65.646 63.200 0.117 0.000 0.861 214 S HN 0.121 8.218 8.310 -0.356 0.000 0.596 215 W N -3.123 118.034 121.300 -0.240 0.000 2.923 215 W HA 0.258 4.813 4.660 -0.175 0.000 0.373 215 W C -3.117 173.245 176.519 -0.261 0.000 1.205 215 W CA -0.435 56.774 57.345 -0.226 0.000 1.180 215 W CB 0.764 30.085 29.460 -0.232 0.000 1.477 215 W HN -0.158 7.761 8.180 -0.436 0.000 0.581 216 G N -3.858 105.010 108.800 0.114 0.000 2.387 216 G HA2 0.079 3.995 3.960 -0.073 0.000 0.294 216 G HA3 0.079 3.831 3.960 -0.346 0.000 0.294 216 G C -2.414 172.724 174.900 0.397 0.000 1.509 216 G CA 0.198 45.297 45.100 -0.003 0.000 0.806 216 G HN -0.032 8.482 8.290 0.373 0.000 0.546 220 C N 2.839 122.196 119.300 0.096 0.000 3.253 220 C HA 0.256 4.895 4.460 0.088 -0.127 0.230 220 C C -2.263 172.772 174.990 0.075 0.000 1.124 220 C CA -0.565 58.503 59.018 0.083 0.000 1.143 220 C CB -1.795 25.988 27.740 0.071 0.000 1.794 220 C HN 0.321 8.604 8.230 0.088 0.000 0.617 221 E N 1.277 121.520 120.200 0.072 0.000 2.790 221 E HA 0.156 4.538 4.350 0.053 0.000 0.298 221 E C -3.258 173.371 176.600 0.047 0.000 1.166 221 E CA -0.778 55.659 56.400 0.062 0.000 0.924 221 E CB 1.192 30.939 29.700 0.079 0.000 1.144 221 E HN 0.241 8.650 8.360 0.082 0.000 0.455 222 P HA -0.285 4.307 4.420 0.024 -0.157 0.265 222 P C 0.625 177.922 177.300 -0.006 0.000 1.193 222 P CA 0.778 63.889 63.100 0.019 0.000 0.765 222 P CB 0.002 31.712 31.700 0.016 0.000 0.823 223 G N 3.927 112.704 108.800 -0.037 0.000 2.184 223 G HA2 -0.501 3.403 3.960 -0.092 0.000 0.264 223 G HA3 -0.501 3.390 3.960 -0.114 0.000 0.264 223 G C -0.811 173.971 174.900 -0.198 0.000 0.975 223 G CA 0.585 45.623 45.100 -0.103 0.000 0.642 223 G HN 0.536 8.811 8.290 -0.024 0.000 0.536 224 N N 0.723 119.353 118.700 -0.118 0.000 2.886 224 N HA 0.429 4.972 4.740 -0.330 0.000 0.285 224 N C -2.588 172.932 175.510 0.016 0.000 1.706 224 N CA -2.800 50.197 53.050 -0.089 0.000 0.904 224 N CB 0.911 39.465 38.487 0.111 0.000 1.224 224 N HN -0.628 7.649 8.380 -0.050 0.073 0.488 225 P HA 0.018 4.455 4.420 0.029 0.000 0.274 225 P C -0.769 176.526 177.300 -0.008 0.000 1.256 225 P CA -0.604 62.502 63.100 0.011 0.000 0.795 225 P CB 0.972 32.659 31.700 -0.022 0.000 1.038 226 G N -2.462 106.308 108.800 -0.051 0.000 2.441 226 G HA2 0.095 3.974 3.960 -0.262 0.000 0.243 226 G HA3 0.095 3.826 3.960 -0.381 0.000 0.243 226 G C -1.427 173.136 174.900 -0.561 0.000 1.281 226 G CA -0.123 44.790 45.100 -0.312 0.000 0.854 226 G HN -0.329 7.979 8.290 0.030 0.000 0.560 227 V N 3.199 122.477 119.914 -1.059 0.000 2.495 227 V HA 0.601 4.418 4.120 -0.780 -0.165 0.298 227 V C -1.026 174.335 176.094 -1.222 0.000 1.031 227 V CA -1.099 60.520 62.300 -1.135 0.000 0.871 227 V CB 2.126 32.879 31.823 -1.783 0.000 0.988 227 V HN 0.223 7.769 8.190 -1.073 0.000 0.432 228 Y N 4.778 124.679 120.300 -0.665 0.000 2.462 228 Y HA 0.502 4.972 4.550 -0.371 -0.142 0.346 228 Y C -0.962 174.697 175.900 -0.402 0.000 0.976 228 Y CA -2.275 55.458 58.100 -0.612 0.000 1.044 228 Y CB 4.412 42.206 38.460 -1.110 0.000 1.230 228 Y HN 0.698 8.579 8.280 -0.665 0.000 0.455 229 A N 1.574 124.408 122.820 0.022 0.000 2.477 229 A HA 0.259 4.866 4.320 0.183 -0.178 0.246 229 A C -1.202 176.581 177.584 0.331 0.000 1.078 229 A CA -0.640 51.496 52.037 0.164 0.000 0.770 229 A CB 0.614 19.682 19.000 0.113 0.000 1.011 229 A HN 0.583 8.760 8.150 0.045 0.000 0.494 230 K N 5.792 126.475 120.400 0.472 0.000 2.184 230 K HA 0.203 4.950 4.320 0.713 0.000 0.259 230 K C 0.732 177.615 176.600 0.472 0.000 1.119 230 K CA -0.912 55.699 56.287 0.541 0.000 0.991 230 K CB -0.221 32.533 32.500 0.424 0.000 1.522 230 K HN -0.088 8.345 8.250 0.460 0.093 0.405 231 V N 4.981 125.147 119.914 0.420 0.000 2.392 231 V HA -0.468 3.963 4.120 0.520 0.000 0.249 231 V C 1.675 177.950 176.094 0.302 0.000 1.059 231 V CA 3.591 66.125 62.300 0.390 0.000 1.051 231 V CB -0.795 31.178 31.823 0.250 0.000 0.658 231 V HN 0.203 8.643 8.190 0.417 0.000 0.455 232 c N -3.603 115.095 118.600 0.163 0.000 2.410 232 c HA -0.123 4.666 4.570 0.077 -0.174 0.281 232 c C 2.258 176.364 174.090 0.027 0.000 1.318 232 c CA 1.493 57.864 56.329 0.071 0.000 1.776 232 c CB -1.600 40.914 42.510 0.007 0.000 1.942 232 c HN 0.152 8.449 8.230 0.154 0.025 0.508 233 I N -2.790 117.751 120.570 -0.048 0.000 3.793 233 I HA 0.019 4.107 4.170 -0.137 0.000 0.315 233 I C -0.523 175.375 176.117 -0.366 0.000 1.275 233 I CA 0.879 62.040 61.300 -0.232 0.000 1.214 233 I CB -0.263 37.547 38.000 -0.317 0.000 1.018 233 I HN -0.782 7.391 8.210 -0.002 0.035 0.439 234 F N -1.190 118.825 119.950 0.109 0.000 2.653 234 F HA 0.217 4.869 4.527 0.207 0.000 0.304 234 F C 0.174 176.100 175.800 0.211 0.000 1.092 234 F CA -0.304 57.813 58.000 0.194 0.000 1.279 234 F CB 0.285 39.427 39.000 0.236 0.000 1.044 234 F HN -0.532 7.672 8.300 0.136 0.177 0.564 235 N N 1.640 120.475 118.700 0.224 0.000 2.104 235 N HA -0.424 4.413 4.740 0.160 0.000 0.190 235 N C 1.150 176.737 175.510 0.128 0.000 1.024 235 N CA 4.810 57.951 53.050 0.152 0.000 0.853 235 N CB 0.180 38.715 38.487 0.080 0.000 1.008 235 N HN -0.600 7.810 8.380 0.152 0.061 0.424 236 D N -2.404 118.078 120.400 0.136 0.000 2.149 236 D HA -0.199 4.474 4.640 0.054 0.000 0.201 236 D C 1.910 178.294 176.300 0.140 0.000 0.972 236 D CA 3.154 57.216 54.000 0.103 0.000 0.835 236 D CB -0.538 40.318 40.800 0.095 0.000 0.966 236 D HN 0.308 8.760 8.370 0.135 0.000 0.476 237 W N 1.486 122.840 121.300 0.089 0.000 2.355 237 W HA -0.211 4.471 4.660 0.035 0.000 0.309 237 W C 1.640 178.165 176.519 0.010 0.000 1.206 237 W CA 3.293 60.687 57.345 0.082 0.000 1.284 237 W CB 0.119 29.709 29.460 0.216 0.000 1.145 237 W HN -0.422 8.024 8.180 0.443 0.000 0.502 238 L N -2.456 118.790 121.223 0.038 0.000 1.994 238 L HA -0.588 3.386 4.340 -0.609 0.000 0.208 238 L C 2.315 178.938 176.870 -0.410 0.000 1.071 238 L CA 3.767 58.434 54.840 -0.288 0.000 0.745 238 L CB -0.290 41.770 42.059 0.001 0.000 0.892 238 L HN 0.156 8.583 8.230 0.328 0.000 0.431 239 T N -3.191 111.229 114.554 -0.222 0.000 2.857 239 T HA -0.385 3.799 4.350 -0.275 0.000 0.266 239 T C 2.199 176.738 174.700 -0.268 0.000 1.048 239 T CA 4.206 66.172 62.100 -0.223 0.000 1.139 239 T CB -0.427 68.381 68.868 -0.100 0.000 0.874 239 T HN -0.138 8.034 8.240 -0.113 0.000 0.455 240 S N 1.985 117.541 115.700 -0.240 0.000 2.368 240 S HA -0.230 4.149 4.470 -0.153 0.000 0.225 240 S C 2.093 176.491 174.600 -0.338 0.000 1.030 240 S CA 3.504 61.574 58.200 -0.216 0.000 0.999 240 S CB -0.637 62.481 63.200 -0.137 0.000 0.844 240 S HN -0.302 7.889 8.310 -0.199 0.000 0.459 241 T N 4.011 118.224 114.554 -0.569 0.000 2.737 241 T HA -0.312 3.745 4.350 -0.489 0.000 0.265 241 T C 2.377 176.635 174.700 -0.737 0.000 1.038 241 T CA 4.382 66.073 62.100 -0.681 0.000 1.144 241 T CB -0.113 68.094 68.868 -1.102 0.000 0.866 241 T HN -0.289 7.562 8.240 -0.648 0.000 0.434 242 M N 0.238 119.256 119.600 -0.970 0.000 2.296 242 M HA -0.261 3.075 4.480 -1.906 0.000 0.265 242 M C 1.262 177.115 176.300 -0.746 0.000 1.064 242 M CA 3.258 57.781 55.300 -1.296 0.000 1.109 242 M CB -0.021 31.779 32.600 -1.332 0.000 1.396 242 M HN -0.451 7.306 8.290 -0.888 0.000 0.430 243 A N -2.693 119.877 122.820 -0.418 0.000 2.119 243 A HA -0.031 4.292 4.320 0.005 0.000 0.216 243 A C 0.950 178.523 177.584 -0.017 0.000 1.152 243 A CA 1.318 53.285 52.037 -0.117 0.000 0.708 243 A CB -0.477 18.515 19.000 -0.015 0.000 0.805 243 A HN -0.484 7.283 8.150 -0.404 0.140 0.460 244 S N 1.760 117.384 115.700 -0.127 0.000 4.085 244 S HA 0.073 4.574 4.470 0.052 0.000 0.189 244 S C -0.471 174.157 174.600 0.046 0.000 1.392 244 S CA -0.207 57.989 58.200 -0.007 0.000 0.972 244 S CB -2.706 60.476 63.200 -0.031 0.000 1.482 244 S HN -0.507 7.628 8.310 -0.222 0.042 0.446 245 Y N 0.000 120.356 120.300 0.093 0.000 2.660 245 Y HA 0.000 4.653 4.550 0.172 0.000 0.201 245 Y CA 0.000 58.169 58.100 0.116 0.000 1.940 245 Y CB 0.000 38.515 38.460 0.092 0.000 1.050 245 Y HN 0.000 8.399 8.280 0.340 0.085 0.758