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 1o5d_1_T DATA FIRST_RESID 6 DATA SEQUENCE TVAAYNLTWK STNFKTILEW EPKPVNQVYT VQISTKSGDW KSKcFYTTDT DATA SEQUENCE EcDLTDEIVK DVKQTYLARV FSYPAGNVES TGSAGEPLYE NSPEFTPYLE DATA SEQUENCE TNLGXXXXXX XXXXXXXXXX XXXDERTLVR RNNTFLSLRD VFGKDLIYTL DATA SEQUENCE YYXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXSVQAVIPS RTVNRKSTDS 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 6 T HA 0.000 4.373 4.350 0.038 0.000 0.228 6 T C 0.000 174.730 174.700 0.050 0.000 1.109 6 T CA 0.000 62.124 62.100 0.039 0.000 1.349 6 T CB 0.000 68.889 68.868 0.035 0.000 0.612 7 V N -2.818 117.142 119.914 0.077 0.000 2.960 7 V HA 0.561 4.721 4.120 0.066 0.000 0.315 7 V C -1.842 174.322 176.094 0.117 0.000 1.087 7 V CA -3.153 59.206 62.300 0.097 0.000 0.982 7 V CB 3.310 35.215 31.823 0.136 0.000 1.039 7 V HN 0.239 8.773 8.190 0.089 -0.291 0.437 8 A N 1.500 124.371 122.820 0.086 0.000 2.293 8 A HA 0.552 4.888 4.320 0.027 0.000 0.302 8 A C -0.407 177.221 177.584 0.074 0.000 1.119 8 A CA -1.527 50.532 52.037 0.036 0.000 0.823 8 A CB 1.028 19.998 19.000 -0.049 0.000 1.097 8 A HN 0.241 8.437 8.150 0.078 0.000 0.491 9 A N 1.571 124.356 122.820 -0.059 0.000 2.313 9 A HA 0.112 4.486 4.320 -0.102 -0.115 0.261 9 A C -1.400 176.153 177.584 -0.051 0.000 1.090 9 A CA 0.002 51.944 52.037 -0.158 0.000 0.807 9 A CB 1.093 19.776 19.000 -0.528 0.000 1.055 9 A HN 0.303 8.372 8.150 -0.135 0.000 0.492 10 Y N -3.189 117.100 120.300 -0.018 0.000 2.677 10 Y HA 0.191 4.707 4.550 -0.057 0.000 0.334 10 Y C -1.769 174.134 175.900 0.005 0.000 1.154 10 Y CA -2.140 55.945 58.100 -0.025 0.000 1.070 10 Y CB 1.590 40.042 38.460 -0.013 0.000 1.294 10 Y HN 0.297 8.174 8.280 -0.489 0.110 0.475 11 N N -3.727 115.109 118.700 0.225 0.000 2.725 11 N HA -0.365 4.451 4.740 0.126 0.000 0.251 11 N C -1.320 174.213 175.510 0.039 0.000 1.031 11 N CA 0.899 54.029 53.050 0.134 0.000 0.720 11 N CB -1.934 36.663 38.487 0.184 0.000 0.930 11 N HN 0.457 8.996 8.380 0.265 0.000 0.543 12 L N -2.045 119.186 121.223 0.013 0.000 2.410 12 L HA 0.218 4.766 4.340 0.013 -0.200 0.273 12 L C 0.984 177.825 176.870 -0.049 0.000 1.144 12 L CA 0.985 55.800 54.840 -0.043 0.000 0.863 12 L CB 0.260 42.239 42.059 -0.135 0.000 1.140 12 L HN 0.001 8.242 8.230 0.020 0.000 0.463 13 T N 6.478 120.974 114.554 -0.097 0.000 2.906 13 T HA 0.287 4.674 4.350 0.062 0.000 0.295 13 T C -2.170 172.416 174.700 -0.190 0.000 1.075 13 T CA -0.558 61.515 62.100 -0.045 0.000 1.005 13 T CB 3.033 71.900 68.868 -0.002 0.000 1.136 13 T HN 0.730 8.804 8.240 -0.104 0.104 0.498 14 W N 1.756 122.990 121.300 -0.110 0.000 2.573 14 W HA 0.382 5.021 4.660 -0.249 -0.128 0.326 14 W C -0.319 176.068 176.519 -0.219 0.000 1.049 14 W CA -0.735 56.444 57.345 -0.277 0.000 1.220 14 W CB 2.474 31.566 29.460 -0.613 0.000 1.373 14 W HN 0.199 8.527 8.180 0.246 0.000 0.507 15 K N 3.621 124.012 120.400 -0.015 0.000 2.483 15 K HA 0.438 4.769 4.320 0.019 0.000 0.256 15 K C -1.779 174.817 176.600 -0.007 0.000 0.961 15 K CA -1.292 54.991 56.287 -0.007 0.000 0.873 15 K CB 2.128 34.610 32.500 -0.029 0.000 1.107 15 K HN 1.096 9.211 8.250 -0.049 0.105 0.432 16 S N 4.064 119.780 115.700 0.027 0.000 2.614 16 S HA 0.894 5.664 4.470 0.051 -0.269 0.288 16 S C -1.202 173.424 174.600 0.042 0.000 1.137 16 S CA -0.891 57.347 58.200 0.063 0.000 0.992 16 S CB 2.108 65.417 63.200 0.182 0.000 1.026 16 S HN 0.560 8.899 8.310 0.049 0.000 0.486 17 T N 9.133 123.699 114.554 0.019 0.000 2.971 17 T HA 0.470 5.067 4.350 -0.041 -0.272 0.304 17 T C -0.517 174.177 174.700 -0.009 0.000 1.038 17 T CA -0.081 62.011 62.100 -0.013 0.000 1.007 17 T CB 2.260 71.129 68.868 0.001 0.000 1.055 17 T HN 0.289 8.553 8.240 0.039 0.000 0.451 18 N N 6.702 125.370 118.700 -0.054 0.000 2.701 18 N HA -0.485 4.261 4.740 0.010 0.000 0.250 18 N C -0.520 175.123 175.510 0.221 0.000 1.046 18 N CA 2.036 55.114 53.050 0.047 0.000 0.733 18 N CB -0.899 37.653 38.487 0.107 0.000 0.973 18 N HN 1.043 9.367 8.380 -0.093 0.000 0.541 19 F N -10.181 109.855 119.950 0.142 0.000 2.544 19 F HA -0.554 4.092 4.527 0.198 0.000 0.389 19 F C -0.342 175.540 175.800 0.137 0.000 0.588 19 F CA 1.847 59.940 58.000 0.154 0.000 1.461 19 F CB -1.737 37.340 39.000 0.128 0.000 1.995 19 F HN 0.039 8.103 8.300 -0.328 0.039 0.282 20 K N 2.338 122.863 120.400 0.208 0.000 2.363 20 K HA 0.014 4.434 4.320 0.167 0.000 0.289 20 K C -0.769 175.903 176.600 0.121 0.000 1.063 20 K CA 0.049 56.424 56.287 0.146 0.000 0.967 20 K CB -0.194 32.360 32.500 0.089 0.000 0.987 20 K HN -0.352 7.817 8.250 0.162 0.178 0.473 21 T N 9.964 124.596 114.554 0.131 0.000 2.772 21 T HA 0.545 5.112 4.350 0.059 -0.182 0.288 21 T C -1.163 173.567 174.700 0.049 0.000 0.994 21 T CA 0.277 62.434 62.100 0.095 0.000 0.951 21 T CB 1.158 70.127 68.868 0.168 0.000 0.933 21 T HN 0.055 8.383 8.240 0.147 0.000 0.447 22 I N 6.597 127.165 120.570 -0.005 0.000 2.569 22 I HA 0.553 4.862 4.170 -0.040 -0.162 0.296 22 I C -2.531 173.506 176.117 -0.134 0.000 1.028 22 I CA -1.625 59.644 61.300 -0.052 0.000 1.082 22 I CB 4.149 42.119 38.000 -0.050 0.000 1.264 22 I HN 1.127 9.223 8.210 -0.013 0.106 0.429 23 L N 5.772 126.878 121.223 -0.195 0.000 2.322 23 L HA 0.826 5.065 4.340 -0.476 -0.186 0.279 23 L C -1.867 174.942 176.870 -0.102 0.000 1.036 23 L CA -1.712 52.931 54.840 -0.329 0.000 0.807 23 L CB 3.216 44.996 42.059 -0.464 0.000 1.226 23 L HN 0.343 8.499 8.230 -0.123 0.000 0.433 24 E N 2.072 122.215 120.200 -0.096 0.000 2.340 24 E HA 0.913 5.205 4.350 -0.420 -0.194 0.273 24 E C -1.370 175.217 176.600 -0.020 0.000 0.891 24 E CA -1.341 54.945 56.400 -0.190 0.000 0.757 24 E CB 4.339 33.908 29.700 -0.219 0.000 1.231 24 E HN 0.494 8.762 8.360 -0.154 0.000 0.439 25 W N -0.460 120.662 121.300 -0.296 0.000 2.962 25 W HA 0.811 5.518 4.660 -0.301 -0.228 0.405 25 W C -2.530 173.751 176.519 -0.397 0.000 1.121 25 W CA -1.574 55.558 57.345 -0.356 0.000 1.164 25 W CB 2.348 31.549 29.460 -0.433 0.000 1.489 25 W HN 0.756 8.449 8.180 -0.811 0.000 0.599 26 E N -2.764 117.227 120.200 -0.349 0.000 2.433 26 E HA 0.544 4.631 4.350 -0.439 0.000 0.273 26 E C -2.226 174.039 176.600 -0.560 0.000 0.950 26 E CA -3.135 52.913 56.400 -0.586 0.000 0.796 26 E CB 3.435 32.583 29.700 -0.920 0.000 1.330 26 E HN -0.157 8.053 8.360 -0.249 0.000 0.455 27 P HA 0.203 4.495 4.420 -0.212 0.000 0.293 27 P C -1.113 176.213 177.300 0.043 0.000 1.304 27 P CA -1.015 62.019 63.100 -0.111 0.000 0.767 27 P CB 0.893 32.648 31.700 0.092 0.000 1.247 28 K N 0.200 120.623 120.400 0.038 0.000 2.312 28 K HA 0.219 4.567 4.320 0.048 0.000 0.287 28 K C -1.662 175.007 176.600 0.115 0.000 1.062 28 K CA -2.428 53.890 56.287 0.052 0.000 0.934 28 K CB -0.370 32.136 32.500 0.010 0.000 1.027 28 K HN 0.198 8.465 8.250 0.029 0.000 0.478 29 P HA 0.042 4.538 4.420 0.126 0.000 0.277 29 P C -1.709 175.611 177.300 0.033 0.000 1.240 29 P CA -0.638 62.508 63.100 0.077 0.000 0.798 29 P CB 1.422 33.069 31.700 -0.089 0.000 0.979 30 V N 1.933 121.861 119.914 0.025 0.000 2.325 30 V HA 0.043 4.173 4.120 0.018 0.000 0.280 30 V C -0.435 175.662 176.094 0.005 0.000 1.016 30 V CA -0.475 61.837 62.300 0.020 0.000 0.818 30 V CB 0.051 31.894 31.823 0.033 0.000 1.019 30 V HN 0.112 8.319 8.190 0.028 0.000 0.434 31 N N 3.890 122.588 118.700 -0.003 0.000 2.735 31 N HA -0.294 4.444 4.740 -0.005 0.000 0.248 31 N C -1.626 173.875 175.510 -0.016 0.000 1.083 31 N CA 1.424 54.471 53.050 -0.005 0.000 0.703 31 N CB -0.587 37.902 38.487 0.003 0.000 1.005 31 N HN 0.406 8.786 8.380 -0.001 0.000 0.550 32 Q N -7.651 112.119 119.800 -0.051 0.000 2.511 32 Q HA 0.576 4.989 4.340 -0.016 -0.083 0.289 32 Q C -2.133 173.766 176.000 -0.169 0.000 1.021 32 Q CA -1.412 54.341 55.803 -0.083 0.000 0.785 32 Q CB 4.141 32.814 28.738 -0.108 0.000 1.472 32 Q HN -0.743 7.490 8.270 -0.061 0.000 0.411 33 V N -6.927 112.919 119.914 -0.114 0.000 3.102 33 V HA 0.841 4.975 4.120 -0.182 -0.123 0.312 33 V C -2.201 173.860 176.094 -0.055 0.000 1.135 33 V CA -2.902 59.363 62.300 -0.059 0.000 1.022 33 V CB 3.492 35.429 31.823 0.190 0.000 1.056 33 V HN 0.735 8.933 8.190 0.013 0.000 0.436 34 Y N -2.413 118.092 120.300 0.341 0.000 2.545 34 Y HA 0.944 5.818 4.550 0.206 -0.200 0.348 34 Y C -0.114 175.916 175.900 0.217 0.000 1.002 34 Y CA -2.255 55.995 58.100 0.250 0.000 1.039 34 Y CB 4.161 42.731 38.460 0.182 0.000 1.271 34 Y HN 0.729 9.059 8.280 0.257 0.105 0.467 35 T N 1.569 116.322 114.554 0.331 0.000 2.909 35 T HA 0.636 5.212 4.350 -0.019 -0.237 0.299 35 T C -1.431 173.294 174.700 0.042 0.000 1.073 35 T CA -0.914 61.241 62.100 0.093 0.000 0.999 35 T CB 3.003 71.884 68.868 0.023 0.000 1.098 35 T HN 0.154 8.589 8.240 0.325 0.000 0.477 36 V N 3.273 123.126 119.914 -0.101 0.000 2.715 36 V HA 0.747 4.948 4.120 -0.169 -0.182 0.310 36 V C -1.622 174.458 176.094 -0.023 0.000 1.054 36 V CA -1.663 60.558 62.300 -0.133 0.000 0.928 36 V CB 3.071 34.765 31.823 -0.215 0.000 1.007 36 V HN 0.349 8.420 8.190 -0.198 0.000 0.437 37 Q N 3.088 122.923 119.800 0.058 0.000 2.347 37 Q HA 0.935 5.607 4.340 0.172 -0.228 0.271 37 Q C -1.904 174.292 176.000 0.326 0.000 1.064 37 Q CA -1.564 54.362 55.803 0.206 0.000 0.800 37 Q CB 4.409 33.290 28.738 0.238 0.000 1.304 37 Q HN 0.427 8.684 8.270 -0.022 0.000 0.438 38 I N 3.194 124.000 120.570 0.393 0.000 2.785 38 I HA 0.920 5.552 4.170 0.491 -0.168 0.302 38 I C -2.562 173.775 176.117 0.368 0.000 1.069 38 I CA -2.715 58.838 61.300 0.422 0.000 1.045 38 I CB 3.687 41.882 38.000 0.323 0.000 1.236 38 I HN 0.664 9.077 8.210 0.338 0.000 0.429 39 S N 4.346 120.166 115.700 0.200 0.000 2.727 39 S HA 0.487 4.934 4.470 -0.039 0.000 0.278 39 S C -1.836 172.674 174.600 -0.150 0.000 1.186 39 S CA -0.953 57.154 58.200 -0.155 0.000 0.836 39 S CB 2.165 64.812 63.200 -0.921 0.000 1.186 39 S HN 0.548 9.034 8.310 0.293 0.000 0.499 40 T N -3.891 110.471 114.554 -0.319 0.000 2.924 40 T HA 0.563 4.840 4.350 -0.430 -0.185 0.291 40 T C 1.947 176.451 174.700 -0.327 0.000 1.045 40 T CA -2.522 59.342 62.100 -0.393 0.000 1.015 40 T CB 3.522 72.126 68.868 -0.441 0.000 1.103 40 T HN 0.070 8.101 8.240 -0.348 0.000 0.496 41 K N 3.765 124.013 120.400 -0.252 0.000 2.173 41 K HA -0.279 3.923 4.320 -0.196 0.000 0.207 41 K C 0.753 177.240 176.600 -0.187 0.000 1.046 41 K CA 2.801 58.973 56.287 -0.192 0.000 0.929 41 K CB -0.499 31.927 32.500 -0.123 0.000 0.720 41 K HN 0.861 8.965 8.250 -0.243 0.000 0.453 42 S N -5.966 109.624 115.700 -0.183 0.000 2.664 42 S HA 0.224 4.618 4.470 -0.127 0.000 0.245 42 S C 0.012 174.515 174.600 -0.161 0.000 1.019 42 S CA -0.521 57.592 58.200 -0.144 0.000 0.996 42 S CB 0.252 63.389 63.200 -0.104 0.000 0.878 42 S HN -0.389 7.780 8.310 -0.193 0.024 0.493 43 G N 1.501 110.165 108.800 -0.227 0.000 2.552 43 G HA2 0.126 4.007 3.960 -0.132 0.000 0.324 43 G HA3 0.126 3.973 3.960 -0.188 0.000 0.324 43 G C -1.926 172.820 174.900 -0.256 0.000 1.217 43 G CA -0.659 44.323 45.100 -0.196 0.000 0.989 43 G HN -0.452 7.494 8.290 -0.289 0.170 0.490 44 D N -0.714 119.599 120.400 -0.146 0.000 2.354 44 D HA -0.020 4.545 4.640 -0.125 0.000 0.247 44 D C -0.177 176.065 176.300 -0.096 0.000 1.138 44 D CA -0.249 53.697 54.000 -0.090 0.000 0.958 44 D CB 1.423 42.244 40.800 0.035 0.000 1.144 44 D HN -0.098 8.219 8.370 -0.088 0.000 0.458 45 W N -1.679 119.653 121.300 0.053 0.000 2.316 45 W HA 0.031 4.909 4.660 0.086 -0.167 0.321 45 W C 0.437 177.000 176.519 0.074 0.000 1.203 45 W CA -0.566 56.822 57.345 0.071 0.000 1.214 45 W CB 1.355 30.856 29.460 0.068 0.000 1.169 45 W HN -0.006 8.358 8.180 0.306 0.000 0.561 46 K N 3.200 123.801 120.400 0.336 0.000 2.324 46 K HA 0.356 4.801 4.320 0.208 0.000 0.253 46 K C -1.225 175.496 176.600 0.201 0.000 0.932 46 K CA -1.169 55.253 56.287 0.225 0.000 0.799 46 K CB 3.004 35.611 32.500 0.179 0.000 1.154 46 K HN 0.449 8.929 8.250 0.383 0.000 0.425 47 S N 4.660 120.459 115.700 0.165 0.000 2.616 47 S HA 0.843 5.526 4.470 0.017 -0.203 0.277 47 S C -0.700 173.786 174.600 -0.189 0.000 1.234 47 S CA 0.125 58.344 58.200 0.031 0.000 1.028 47 S CB 1.359 64.637 63.200 0.129 0.000 0.988 47 S HN 0.305 8.738 8.310 0.205 0.000 0.522 48 K N 0.889 120.979 120.400 -0.517 0.000 2.499 48 K HA 0.335 4.208 4.320 -0.745 0.000 0.277 48 K C -1.073 175.022 176.600 -0.841 0.000 1.025 48 K CA -2.184 53.716 56.287 -0.645 0.000 0.900 48 K CB 3.238 35.610 32.500 -0.212 0.000 1.494 48 K HN 0.829 8.732 8.250 -0.426 0.092 0.442 49 c N -1.950 116.328 118.600 -0.537 0.000 2.862 49 c HA -0.283 4.234 4.570 -0.088 0.000 0.237 49 c C 0.679 174.605 174.090 -0.273 0.000 1.339 49 c CA -0.159 56.030 56.329 -0.233 0.000 2.397 49 c CB -2.557 39.943 42.510 -0.017 0.000 1.520 49 c HN 0.812 8.823 8.230 -0.365 0.000 0.423 50 F N -0.794 119.151 119.950 -0.008 0.000 2.572 50 F HA -0.299 4.014 4.527 -0.357 0.000 0.370 50 F C 0.372 176.164 175.800 -0.013 0.000 1.103 50 F CA 0.077 57.978 58.000 -0.164 0.000 1.286 50 F CB -0.030 38.912 39.000 -0.096 0.000 1.105 50 F HN -0.509 7.536 8.300 -0.424 0.000 0.583 51 Y N -1.124 119.309 120.300 0.220 0.000 2.953 51 Y HA -0.420 4.317 4.550 0.201 -0.066 0.216 51 Y C 0.229 176.219 175.900 0.150 0.000 1.125 51 Y CA 0.592 58.784 58.100 0.152 0.000 0.882 51 Y CB -2.866 35.619 38.460 0.042 0.000 1.148 51 Y HN -0.010 7.818 8.280 -0.752 0.000 0.479 52 T N -2.121 112.599 114.554 0.276 0.000 2.881 52 T HA 0.234 4.701 4.350 0.194 0.000 0.278 52 T C 0.301 175.137 174.700 0.226 0.000 0.982 52 T CA -1.947 60.292 62.100 0.232 0.000 0.989 52 T CB 1.777 70.778 68.868 0.222 0.000 1.058 52 T HN -0.341 8.061 8.240 0.269 0.000 0.529 53 T N 0.457 115.110 114.554 0.165 0.000 3.023 53 T HA 0.242 4.650 4.350 0.097 0.000 0.253 53 T C -0.441 174.348 174.700 0.147 0.000 1.038 53 T CA -1.152 61.022 62.100 0.124 0.000 0.962 53 T CB 0.590 69.496 68.868 0.063 0.000 1.018 53 T HN 0.156 8.479 8.240 0.138 0.000 0.521 54 D N 3.035 123.513 120.400 0.131 0.000 2.363 54 D HA -0.071 4.536 4.640 -0.055 0.000 0.240 54 D C -0.188 176.028 176.300 -0.139 0.000 1.236 54 D CA 1.590 55.583 54.000 -0.012 0.000 0.927 54 D CB 1.250 42.029 40.800 -0.035 0.000 1.150 54 D HN -0.525 7.876 8.370 0.155 0.062 0.458 55 T N -6.328 107.885 114.554 -0.568 0.000 3.339 55 T HA 0.153 3.267 4.350 -2.060 0.000 0.292 55 T C -1.703 171.857 174.700 -1.899 0.000 1.012 55 T CA -1.094 60.124 62.100 -1.470 0.000 0.937 55 T CB -0.328 68.003 68.868 -0.894 0.000 1.164 55 T HN 0.203 8.175 8.240 -0.447 0.000 0.509 56 E N -1.965 117.470 120.200 -1.276 0.000 2.413 56 E HA 0.727 4.789 4.350 -0.778 -0.179 0.277 56 E C -2.376 174.109 176.600 -0.192 0.000 0.958 56 E CA -2.333 53.649 56.400 -0.697 0.000 0.779 56 E CB 3.441 32.919 29.700 -0.370 0.000 1.278 56 E HN -0.737 7.059 8.360 -0.824 0.069 0.456 57 c N 1.728 120.362 118.600 0.055 0.000 2.607 57 c HA 0.335 4.951 4.570 0.077 0.000 0.350 57 c C -1.691 172.411 174.090 0.020 0.000 1.101 57 c CA -0.291 56.101 56.329 0.105 0.000 1.282 57 c CB 2.900 45.515 42.510 0.175 0.000 1.825 57 c HN 0.732 8.976 8.230 0.022 0.000 0.460 58 D N 7.882 128.291 120.400 0.014 0.000 2.348 58 D HA 0.033 4.793 4.640 0.008 -0.115 0.253 58 D C -0.841 175.476 176.300 0.029 0.000 1.161 58 D CA 0.572 54.583 54.000 0.018 0.000 0.876 58 D CB 0.829 41.647 40.800 0.029 0.000 1.160 58 D HN 0.434 8.816 8.370 0.020 0.000 0.459 59 L N 4.131 125.379 121.223 0.042 0.000 2.858 59 L HA 0.305 4.676 4.340 0.052 0.000 0.251 59 L C 1.087 178.004 176.870 0.078 0.000 1.149 59 L CA -0.735 54.143 54.840 0.063 0.000 0.955 59 L CB 0.334 42.450 42.059 0.095 0.000 1.289 59 L HN 0.715 8.972 8.230 0.044 0.000 0.542 60 T N 2.916 117.526 114.554 0.093 0.000 2.567 60 T HA -0.518 3.920 4.350 0.146 0.000 0.261 60 T C 1.264 176.019 174.700 0.092 0.000 1.123 60 T CA 5.351 67.521 62.100 0.118 0.000 1.166 60 T CB -0.672 68.274 68.868 0.131 0.000 0.860 60 T HN -0.559 7.916 8.240 0.086 -0.183 0.436 61 D N -1.055 119.395 120.400 0.084 0.000 2.200 61 D HA -0.341 4.339 4.640 0.068 0.000 0.192 61 D C 1.450 177.785 176.300 0.059 0.000 1.008 61 D CA 2.898 56.940 54.000 0.069 0.000 0.872 61 D CB -0.668 40.172 40.800 0.068 0.000 0.923 61 D HN 0.360 8.782 8.370 0.087 0.000 0.447 62 E N -1.929 118.304 120.200 0.054 0.000 2.042 62 E HA -0.117 4.284 4.350 0.086 0.000 0.189 62 E C 2.604 179.199 176.600 -0.009 0.000 0.974 62 E CA 1.592 58.027 56.400 0.059 0.000 0.806 62 E CB 0.079 29.829 29.700 0.083 0.000 0.769 62 E HN -0.443 7.838 8.360 0.056 0.113 0.451 63 I N -2.624 117.849 120.570 -0.161 0.000 2.454 63 I HA -0.257 3.382 4.170 -0.884 0.000 0.254 63 I C 1.238 177.342 176.117 -0.022 0.000 1.156 63 I CA 2.745 63.821 61.300 -0.374 0.000 1.433 63 I CB -0.517 37.291 38.000 -0.320 0.000 1.082 63 I HN -0.419 7.735 8.210 -0.092 0.000 0.432 64 V N -5.085 114.849 119.914 0.033 0.000 3.573 64 V HA -0.151 3.956 4.120 -0.022 0.000 0.270 64 V C 0.906 177.000 176.094 -0.001 0.000 1.221 64 V CA 1.292 63.597 62.300 0.008 0.000 1.163 64 V CB -1.118 30.717 31.823 0.019 0.000 0.847 64 V HN -0.052 8.137 8.190 0.038 0.024 0.468 65 K N -0.143 120.288 120.400 0.052 0.000 2.031 65 K HA -0.127 4.199 4.320 0.011 0.000 0.205 65 K C 0.451 177.078 176.600 0.045 0.000 1.049 65 K CA 2.615 58.931 56.287 0.048 0.000 0.939 65 K CB 0.567 33.118 32.500 0.085 0.000 0.717 65 K HN -0.521 7.583 8.250 0.075 0.191 0.438 66 D N -1.657 118.817 120.400 0.124 0.000 2.378 66 D HA 0.176 4.815 4.640 -0.001 0.000 0.265 66 D C 0.377 176.768 176.300 0.152 0.000 1.229 66 D CA -1.162 52.885 54.000 0.078 0.000 0.914 66 D CB 0.121 40.949 40.800 0.046 0.000 1.140 66 D HN -0.679 7.833 8.370 0.236 0.000 0.516 67 V N 1.123 121.074 119.914 0.061 0.000 2.867 67 V HA -0.177 4.205 4.120 0.249 -0.113 0.260 67 V C 0.787 176.979 176.094 0.164 0.000 1.099 67 V CA 1.798 64.189 62.300 0.152 0.000 1.122 67 V CB -0.122 31.733 31.823 0.054 0.000 0.708 67 V HN 0.344 8.513 8.190 -0.036 0.000 0.490 68 K N -2.722 117.690 120.400 0.020 0.000 2.487 68 K HA -0.080 4.248 4.320 0.013 0.000 0.192 68 K C 0.185 176.760 176.600 -0.041 0.000 1.027 68 K CA 0.569 56.827 56.287 -0.048 0.000 1.054 68 K CB -0.700 31.682 32.500 -0.196 0.000 0.824 68 K HN -0.730 7.594 8.250 -0.029 -0.092 0.510 69 Q N -1.328 118.459 119.800 -0.021 0.000 2.237 69 Q HA 0.179 4.410 4.340 -0.183 0.000 0.219 69 Q C -0.677 175.222 176.000 -0.170 0.000 0.999 69 Q CA -0.899 54.784 55.803 -0.199 0.000 0.959 69 Q CB 1.673 30.114 28.738 -0.495 0.000 1.173 69 Q HN -0.573 7.573 8.270 0.088 0.177 0.527 70 T N 1.239 115.621 114.554 -0.287 0.000 2.807 70 T HA 0.531 5.043 4.350 -0.050 -0.192 0.279 70 T C -0.901 173.645 174.700 -0.256 0.000 0.993 70 T CA -0.146 61.864 62.100 -0.150 0.000 0.970 70 T CB 1.158 69.956 68.868 -0.118 0.000 0.950 70 T HN 0.065 8.092 8.240 -0.354 0.000 0.441 71 Y N 4.069 124.338 120.300 -0.052 0.000 2.587 71 Y HA 0.834 5.578 4.550 0.020 -0.181 0.337 71 Y C -1.344 174.634 175.900 0.129 0.000 1.065 71 Y CA -1.682 56.443 58.100 0.042 0.000 1.126 71 Y CB 3.761 42.291 38.460 0.116 0.000 1.279 71 Y HN 1.032 9.347 8.280 0.241 0.110 0.489 72 L N -1.274 120.175 121.223 0.376 0.000 2.409 72 L HA 0.532 5.168 4.340 0.493 0.000 0.262 72 L C -2.419 174.779 176.870 0.547 0.000 0.992 72 L CA -1.487 53.606 54.840 0.423 0.000 0.817 72 L CB 4.642 46.861 42.059 0.267 0.000 1.350 72 L HN -0.072 8.357 8.230 0.332 0.000 0.411 73 A N 1.600 124.720 122.820 0.500 0.000 2.566 73 A HA 1.094 5.849 4.320 0.443 -0.169 0.292 73 A C -2.446 175.200 177.584 0.103 0.000 1.112 73 A CA -1.169 51.056 52.037 0.314 0.000 0.707 73 A CB 3.927 22.974 19.000 0.079 0.000 1.302 73 A HN 0.738 9.162 8.150 0.457 0.000 0.409 74 R N -4.065 116.384 120.500 -0.084 0.000 2.739 74 R HA 0.956 5.273 4.340 -0.251 -0.127 0.271 74 R C -2.013 173.995 176.300 -0.488 0.000 1.010 74 R CA -1.636 54.283 56.100 -0.303 0.000 0.897 74 R CB 3.524 33.573 30.300 -0.419 0.000 1.236 74 R HN 0.390 8.629 8.270 -0.051 0.000 0.466 75 V N 0.126 119.667 119.914 -0.622 0.000 2.487 75 V HA 0.656 4.616 4.120 -0.559 -0.176 0.298 75 V C -1.369 174.383 176.094 -0.570 0.000 1.028 75 V CA -0.919 60.965 62.300 -0.693 0.000 0.860 75 V CB 2.375 33.496 31.823 -1.171 0.000 0.991 75 V HN 0.218 8.080 8.190 -0.547 0.000 0.427 76 F N 6.592 126.385 119.950 -0.263 0.000 2.425 76 F HA 0.550 5.145 4.527 -0.186 -0.180 0.331 76 F C -0.164 175.453 175.800 -0.305 0.000 1.085 76 F CA -1.541 56.275 58.000 -0.307 0.000 1.028 76 F CB 3.332 42.047 39.000 -0.476 0.000 1.177 76 F HN 0.953 9.277 8.300 0.041 0.000 0.487 77 S N 0.800 116.400 115.700 -0.167 0.000 2.498 77 S HA 0.521 5.166 4.470 0.030 -0.157 0.317 77 S C -1.748 172.690 174.600 -0.270 0.000 1.090 77 S CA -0.686 57.471 58.200 -0.072 0.000 1.089 77 S CB 1.610 64.862 63.200 0.087 0.000 0.997 77 S HN 0.164 8.380 8.310 -0.157 0.000 0.470 78 Y N 2.645 122.995 120.300 0.084 0.000 2.409 78 Y HA 0.366 4.971 4.550 0.091 0.000 0.343 78 Y C -2.385 173.526 175.900 0.018 0.000 0.973 78 Y CA -2.378 55.772 58.100 0.083 0.000 1.064 78 Y CB 1.950 40.493 38.460 0.139 0.000 1.207 78 Y HN 0.903 9.219 8.280 0.061 0.000 0.452 79 P HA -0.110 4.433 4.420 0.045 -0.096 0.267 79 P C -1.026 176.318 177.300 0.073 0.000 1.200 79 P CA -0.332 62.814 63.100 0.077 0.000 0.772 79 P CB 0.396 32.132 31.700 0.060 0.000 0.855 80 A N 3.245 126.084 122.820 0.031 0.000 2.401 80 A HA -0.031 4.297 4.320 0.013 0.000 0.259 80 A C 0.322 177.900 177.584 -0.009 0.000 1.103 80 A CA 0.470 52.512 52.037 0.009 0.000 0.789 80 A CB 0.098 19.097 19.000 -0.001 0.000 1.035 80 A HN 0.431 8.489 8.150 0.018 0.103 0.491 81 G N 3.564 112.341 108.800 -0.039 0.000 2.475 81 G HA2 -0.280 3.646 3.960 -0.056 0.000 0.209 81 G HA3 -0.280 3.663 3.960 -0.027 0.000 0.209 81 G C -0.582 174.286 174.900 -0.054 0.000 1.127 81 G CA -0.050 45.023 45.100 -0.044 0.000 0.681 81 G HN 0.483 8.736 8.290 -0.062 0.000 0.517 82 N N 2.000 120.684 118.700 -0.027 0.000 2.898 82 N HA 0.225 4.936 4.740 -0.049 0.000 0.245 82 N C -0.527 174.983 175.510 -0.000 0.000 1.185 82 N CA -1.667 51.370 53.050 -0.020 0.000 0.879 82 N CB -0.077 38.417 38.487 0.012 0.000 1.157 82 N HN -0.483 7.812 8.380 -0.003 0.083 0.503 83 V N 4.171 124.020 119.914 -0.109 0.000 3.592 83 V HA -0.104 3.961 4.120 -0.093 0.000 0.272 83 V C 0.037 176.078 176.094 -0.088 0.000 1.228 83 V CA 1.498 63.669 62.300 -0.215 0.000 1.173 83 V CB 0.136 31.590 31.823 -0.616 0.000 0.873 83 V HN 0.377 8.470 8.190 -0.160 0.000 0.476 84 E N -2.024 118.172 120.200 -0.006 0.000 2.624 84 E HA 0.167 4.544 4.350 0.046 0.000 0.210 84 E C -0.641 176.009 176.600 0.083 0.000 0.997 84 E CA -1.696 54.722 56.400 0.031 0.000 0.999 84 E CB 0.163 29.858 29.700 -0.009 0.000 1.040 84 E HN -0.519 7.981 8.360 -0.011 -0.147 0.469 85 S N 0.601 116.381 115.700 0.134 0.000 2.585 85 S HA 0.033 4.551 4.470 0.080 0.000 0.273 85 S C -0.736 173.950 174.600 0.143 0.000 1.339 85 S CA 1.171 59.443 58.200 0.121 0.000 1.028 85 S CB 0.879 64.155 63.200 0.127 0.000 0.906 85 S HN -0.513 7.736 8.310 0.164 0.160 0.528 86 T N 1.907 116.520 114.554 0.099 0.000 2.787 86 T HA 0.115 4.611 4.350 0.113 -0.078 0.297 86 T C -1.652 173.090 174.700 0.070 0.000 1.221 86 T CA -0.922 61.234 62.100 0.093 0.000 1.006 86 T CB 2.441 71.356 68.868 0.079 0.000 1.328 86 T HN -0.103 8.183 8.240 0.078 0.000 0.509 87 G N -0.028 108.812 108.800 0.067 0.000 2.644 87 G HA2 0.482 4.468 3.960 0.043 0.000 0.307 87 G HA3 0.482 4.471 3.960 0.048 0.000 0.307 87 G C -0.397 174.529 174.900 0.044 0.000 1.250 87 G CA -1.142 43.988 45.100 0.050 0.000 0.996 87 G HN 0.154 8.390 8.290 0.079 0.102 0.489 88 S N 0.677 116.397 115.700 0.034 0.000 2.471 88 S HA -0.433 4.052 4.470 0.026 0.000 0.260 88 S C 0.509 175.128 174.600 0.032 0.000 1.116 88 S CA 3.207 61.424 58.200 0.029 0.000 1.069 88 S CB 0.001 63.214 63.200 0.022 0.000 0.897 88 S HN 0.395 8.722 8.310 0.029 0.000 0.471 89 A N -1.217 121.627 122.820 0.041 0.000 2.577 89 A HA 0.260 4.603 4.320 0.037 0.000 0.280 89 A C -0.080 177.533 177.584 0.049 0.000 1.331 89 A CA -0.592 51.472 52.037 0.045 0.000 0.935 89 A CB -0.533 18.499 19.000 0.053 0.000 1.082 89 A HN -0.509 7.595 8.150 0.045 0.072 0.525 90 G N -1.025 107.803 108.800 0.047 0.000 2.212 90 G HA2 -0.456 3.531 3.960 0.045 0.000 0.267 90 G HA3 -0.456 3.527 3.960 0.039 0.000 0.267 90 G C -0.843 174.091 174.900 0.056 0.000 1.002 90 G CA 0.565 45.692 45.100 0.046 0.000 0.729 90 G HN 0.363 8.595 8.290 0.044 0.084 0.517 91 E N -1.251 118.994 120.200 0.075 0.000 2.299 91 E HA 0.418 4.810 4.350 0.071 0.000 0.265 91 E C -2.247 174.434 176.600 0.135 0.000 0.911 91 E CA -3.659 52.798 56.400 0.096 0.000 0.789 91 E CB 1.847 31.615 29.700 0.113 0.000 1.246 91 E HN -0.691 7.661 8.360 0.077 0.054 0.427 92 P HA -0.024 4.484 4.420 0.146 0.000 0.275 92 P C -0.942 176.531 177.300 0.288 0.000 1.227 92 P CA -0.197 63.024 63.100 0.202 0.000 0.781 92 P CB 0.589 32.395 31.700 0.176 0.000 0.906 93 L N 4.693 126.003 121.223 0.145 0.000 2.490 93 L HA -0.025 4.349 4.340 0.057 0.000 0.274 93 L C -1.596 175.307 176.870 0.055 0.000 1.201 93 L CA 0.890 55.770 54.840 0.066 0.000 0.869 93 L CB 0.665 42.723 42.059 -0.002 0.000 1.123 93 L HN 0.251 8.531 8.230 0.083 0.000 0.484 94 Y N -0.606 119.554 120.300 -0.232 0.000 2.744 94 Y HA 0.937 5.373 4.550 -0.486 -0.177 0.330 94 Y C -1.652 174.034 175.900 -0.355 0.000 1.263 94 Y CA -2.687 55.119 58.100 -0.490 0.000 1.065 94 Y CB 2.640 40.479 38.460 -1.035 0.000 1.306 94 Y HN -0.016 8.030 8.280 -0.389 0.000 0.459 95 E N -1.467 118.500 120.200 -0.389 0.000 2.372 95 E HA 0.248 4.328 4.350 -0.449 0.000 0.279 95 E C -2.573 173.913 176.600 -0.190 0.000 0.946 95 E CA -2.451 53.748 56.400 -0.335 0.000 0.769 95 E CB 3.335 32.886 29.700 -0.249 0.000 1.230 95 E HN 0.101 8.261 8.360 -0.334 0.000 0.442 96 N N 1.909 120.552 118.700 -0.095 0.000 2.472 96 N HA 0.597 5.475 4.740 -0.018 -0.148 0.289 96 N C -0.033 175.478 175.510 0.002 0.000 1.156 96 N CA -0.837 52.214 53.050 0.000 0.000 0.940 96 N CB 2.399 40.947 38.487 0.103 0.000 1.200 96 N HN 0.053 8.367 8.380 -0.111 0.000 0.511 97 S N 2.013 117.751 115.700 0.064 0.000 2.719 97 S HA 0.260 4.751 4.470 0.035 0.000 0.285 97 S C -1.943 172.808 174.600 0.253 0.000 1.137 97 S CA -1.591 56.676 58.200 0.110 0.000 1.012 97 S CB 0.247 63.486 63.200 0.066 0.000 1.134 97 S HN 0.570 8.947 8.310 0.112 0.000 0.544 98 P HA 0.036 4.601 4.420 0.242 0.000 0.272 98 P C -0.594 176.973 177.300 0.445 0.000 1.240 98 P CA -0.677 62.641 63.100 0.364 0.000 0.791 98 P CB 0.541 32.458 31.700 0.363 0.000 0.978 99 E N -0.297 120.044 120.200 0.234 0.000 2.349 99 E HA 0.454 5.115 4.350 0.209 -0.185 0.262 99 E C -0.764 175.826 176.600 -0.017 0.000 1.088 99 E CA 0.130 56.611 56.400 0.136 0.000 0.899 99 E CB 1.519 31.262 29.700 0.072 0.000 1.044 99 E HN 0.115 8.584 8.360 0.181 0.000 0.420 100 F N 2.490 122.213 119.950 -0.378 0.000 2.588 100 F HA 0.314 4.750 4.527 -0.433 -0.169 0.314 100 F C -2.064 173.584 175.800 -0.253 0.000 1.134 100 F CA -0.909 56.736 58.000 -0.591 0.000 0.961 100 F CB 4.820 42.824 39.000 -1.660 0.000 1.239 100 F HN 0.257 8.529 8.300 -0.047 0.000 0.448 101 T N 9.058 123.198 114.554 -0.689 0.000 3.060 101 T HA 0.792 5.253 4.350 -0.181 -0.220 0.367 101 T C -1.228 173.081 174.700 -0.652 0.000 1.229 101 T CA -3.229 58.629 62.100 -0.403 0.000 1.104 101 T CB -0.064 68.688 68.868 -0.192 0.000 1.083 101 T HN 0.040 8.045 8.240 -0.819 -0.256 0.524 102 P HA -0.392 3.486 4.420 -0.905 0.000 0.219 102 P C 0.647 177.918 177.300 -0.049 0.000 1.159 102 P CA 2.977 65.853 63.100 -0.373 0.000 0.944 102 P CB 0.068 31.916 31.700 0.245 0.000 0.792 103 Y N -3.119 117.247 120.300 0.111 0.000 2.173 103 Y HA -0.398 4.430 4.550 0.463 0.000 0.282 103 Y C 1.547 177.547 175.900 0.166 0.000 1.192 103 Y CA 3.368 61.610 58.100 0.237 0.000 1.176 103 Y CB 0.185 38.725 38.460 0.134 0.000 0.969 103 Y HN -0.486 7.990 8.280 0.328 0.000 0.519 104 L N -7.867 113.368 121.223 0.021 0.000 2.664 104 L HA -0.103 4.181 4.340 -0.094 0.000 0.233 104 L C 0.270 177.045 176.870 -0.159 0.000 1.113 104 L CA 0.360 55.156 54.840 -0.074 0.000 0.896 104 L CB 0.204 42.248 42.059 -0.025 0.000 1.163 104 L HN -0.228 7.869 8.230 -0.006 0.129 0.497 105 E N -4.181 115.865 120.200 -0.257 0.000 2.571 105 E HA 0.032 4.312 4.350 -0.117 0.000 0.222 105 E C 0.231 176.782 176.600 -0.083 0.000 0.904 105 E CA -0.447 55.830 56.400 -0.205 0.000 1.157 105 E CB 2.327 31.842 29.700 -0.308 0.000 1.158 105 E HN -0.233 7.759 8.360 -0.318 0.177 0.540 106 T N 2.087 116.547 114.554 -0.157 0.000 2.802 106 T HA -0.226 4.229 4.350 0.174 0.000 0.305 106 T C -0.942 173.681 174.700 -0.128 0.000 1.053 106 T CA 1.013 63.068 62.100 -0.076 0.000 1.058 106 T CB 1.332 69.945 68.868 -0.425 0.000 0.988 106 T HN -0.060 8.020 8.240 -0.266 0.000 0.539 107 N N 2.617 121.264 118.700 -0.088 0.000 2.492 107 N HA 0.234 4.910 4.740 -0.106 0.000 0.289 107 N C -0.770 174.675 175.510 -0.109 0.000 1.133 107 N CA -0.020 52.977 53.050 -0.088 0.000 0.961 107 N CB 2.421 40.885 38.487 -0.038 0.000 1.186 107 N HN -0.137 8.097 8.380 -0.050 0.117 0.493 108 L N -0.917 120.240 121.223 -0.111 0.000 2.492 108 L HA 0.817 5.324 4.340 -0.050 -0.196 0.263 108 L C 0.962 177.812 176.870 -0.034 0.000 1.062 108 L CA -1.137 53.656 54.840 -0.080 0.000 0.817 108 L CB 2.676 44.653 42.059 -0.137 0.000 1.441 108 L HN 0.334 8.492 8.230 -0.119 0.000 0.493 130 E N 1.751 122.009 120.200 0.096 0.000 2.404 130 E HA -0.051 4.330 4.350 0.051 0.000 0.261 130 E C -1.075 175.581 176.600 0.092 0.000 1.074 130 E CA 0.032 56.482 56.400 0.083 0.000 0.917 130 E CB 0.726 30.489 29.700 0.106 0.000 0.965 130 E HN 0.124 8.559 8.360 0.126 0.000 0.433 131 R N 1.015 121.547 120.500 0.054 0.000 2.573 131 R HA 0.397 4.892 4.340 0.090 -0.101 0.272 131 R C -0.462 175.871 176.300 0.054 0.000 1.009 131 R CA -0.866 55.263 56.100 0.048 0.000 1.059 131 R CB 1.877 32.162 30.300 -0.025 0.000 1.112 131 R HN 0.069 8.353 8.270 0.024 0.000 0.517 132 T N -2.609 112.007 114.554 0.103 0.000 2.905 132 T HA 0.247 4.763 4.350 0.181 -0.057 0.283 132 T C -0.216 174.573 174.700 0.148 0.000 1.031 132 T CA -2.150 60.063 62.100 0.188 0.000 1.002 132 T CB 2.589 71.649 68.868 0.320 0.000 1.200 132 T HN 0.556 8.870 8.240 0.124 0.000 0.560 133 L N -0.523 120.848 121.223 0.247 0.000 2.627 133 L HA 0.171 4.686 4.340 0.293 0.000 0.232 133 L C -0.562 176.519 176.870 0.352 0.000 1.150 133 L CA 0.373 55.401 54.840 0.313 0.000 0.917 133 L CB -0.663 41.557 42.059 0.270 0.000 1.104 133 L HN 0.133 8.578 8.230 0.358 0.000 0.445 134 V N -1.002 119.029 119.914 0.196 0.000 2.530 134 V HA -0.192 3.916 4.120 -0.020 0.000 0.282 134 V C -1.193 174.946 176.094 0.075 0.000 1.048 134 V CA 0.491 62.786 62.300 -0.008 0.000 0.997 134 V CB 0.897 32.533 31.823 -0.311 0.000 0.987 134 V HN -0.382 7.816 8.190 0.179 0.099 0.477 135 R N 5.223 125.702 120.500 -0.036 0.000 2.778 135 R HA 0.825 5.217 4.340 -0.149 -0.141 0.277 135 R C -1.377 174.855 176.300 -0.113 0.000 0.977 135 R CA -1.829 54.181 56.100 -0.149 0.000 0.950 135 R CB 3.584 33.707 30.300 -0.295 0.000 1.165 135 R HN 0.280 8.522 8.270 -0.046 0.000 0.474 136 R N -0.437 119.995 120.500 -0.114 0.000 2.740 136 R HA 0.170 4.464 4.340 -0.076 0.000 0.273 136 R C -1.712 174.537 176.300 -0.085 0.000 0.998 136 R CA -1.044 55.007 56.100 -0.081 0.000 0.900 136 R CB 3.909 34.174 30.300 -0.059 0.000 1.223 136 R HN 0.433 8.511 8.270 -0.141 0.107 0.466 137 N N 4.418 123.078 118.700 -0.066 0.000 2.759 137 N HA -0.393 4.316 4.740 -0.052 0.000 0.277 137 N C -1.304 174.160 175.510 -0.077 0.000 0.982 137 N CA 1.074 54.089 53.050 -0.059 0.000 0.833 137 N CB -1.179 37.283 38.487 -0.041 0.000 0.927 137 N HN 0.496 8.841 8.380 -0.058 0.000 0.573 138 N N -7.126 111.512 118.700 -0.103 0.000 2.765 138 N HA -0.395 4.251 4.740 -0.157 0.000 0.248 138 N C -0.931 174.458 175.510 -0.201 0.000 1.063 138 N CA 1.932 54.899 53.050 -0.138 0.000 0.862 138 N CB -1.184 37.251 38.487 -0.087 0.000 1.145 138 N HN 0.228 8.548 8.380 -0.098 0.000 0.581 139 T N -2.482 111.955 114.554 -0.195 0.000 2.870 139 T HA 0.231 4.451 4.350 -0.218 0.000 0.277 139 T C -1.594 172.928 174.700 -0.297 0.000 1.000 139 T CA -1.851 60.134 62.100 -0.191 0.000 0.982 139 T CB 2.357 71.196 68.868 -0.049 0.000 1.249 139 T HN -0.086 7.859 8.240 -0.150 0.205 0.589 140 F N -1.173 118.779 119.950 0.004 0.000 2.523 140 F HA 0.688 5.389 4.527 -0.006 -0.178 0.329 140 F C -0.297 175.502 175.800 -0.002 0.000 1.061 140 F CA -0.902 57.100 58.000 0.003 0.000 0.967 140 F CB 3.171 42.184 39.000 0.022 0.000 1.218 140 F HN -0.051 8.328 8.300 0.132 0.000 0.480 141 L N -0.450 120.891 121.223 0.197 0.000 2.335 141 L HA 0.430 4.899 4.340 0.082 -0.081 0.268 141 L C -0.655 176.282 176.870 0.112 0.000 1.016 141 L CA -1.574 53.322 54.840 0.092 0.000 0.805 141 L CB 3.382 45.444 42.059 0.004 0.000 1.311 141 L HN 0.782 9.154 8.230 0.237 0.000 0.456 142 S N -2.213 113.541 115.700 0.090 0.000 2.600 142 S HA 0.432 5.039 4.470 0.130 -0.059 0.300 142 S C 0.787 175.472 174.600 0.142 0.000 1.087 142 S CA -1.687 56.584 58.200 0.118 0.000 0.965 142 S CB 3.416 66.681 63.200 0.108 0.000 1.089 142 S HN 0.109 8.748 8.310 0.069 -0.288 0.496 143 L N 2.147 123.495 121.223 0.209 0.000 2.082 143 L HA -0.471 4.122 4.340 0.422 0.000 0.223 143 L C 1.595 178.654 176.870 0.316 0.000 1.086 143 L CA 4.785 59.821 54.840 0.327 0.000 0.793 143 L CB -0.358 41.890 42.059 0.316 0.000 0.896 143 L HN 0.457 8.804 8.230 0.195 0.000 0.441 144 R N -3.418 117.218 120.500 0.228 0.000 2.100 144 R HA -0.211 4.273 4.340 0.241 0.000 0.220 144 R C 1.711 178.090 176.300 0.131 0.000 1.091 144 R CA 2.323 58.540 56.100 0.196 0.000 0.986 144 R CB -0.729 29.671 30.300 0.167 0.000 0.888 144 R HN 0.055 8.429 8.270 0.202 0.017 0.444 145 D N -0.919 119.537 120.400 0.093 0.000 2.263 145 D HA -0.221 4.446 4.640 0.044 0.000 0.208 145 D C 1.996 178.295 176.300 -0.002 0.000 0.971 145 D CA 3.242 57.267 54.000 0.042 0.000 0.867 145 D CB -0.344 40.472 40.800 0.027 0.000 0.929 145 D HN -0.575 7.773 8.370 0.105 0.085 0.492 146 V N -1.403 118.493 119.914 -0.029 0.000 2.922 146 V HA -0.104 3.925 4.120 -0.151 0.000 0.242 146 V C 1.005 177.012 176.094 -0.144 0.000 1.094 146 V CA 2.727 64.916 62.300 -0.185 0.000 1.106 146 V CB 0.769 32.355 31.823 -0.395 0.000 0.799 146 V HN -0.283 7.771 8.190 0.030 0.155 0.474 147 F N -1.817 118.251 119.950 0.196 0.000 2.664 147 F HA 0.510 5.225 4.527 0.313 0.000 0.303 147 F C 1.297 177.173 175.800 0.127 0.000 1.092 147 F CA -1.168 56.934 58.000 0.171 0.000 1.305 147 F CB -0.295 38.719 39.000 0.024 0.000 1.054 147 F HN 0.287 8.563 8.300 0.147 0.112 0.565 148 G N 1.893 110.829 108.800 0.228 0.000 3.342 148 G HA2 -0.624 3.501 3.960 0.131 0.000 0.298 148 G HA3 -0.624 3.411 3.960 0.124 0.000 0.298 148 G C 0.283 175.268 174.900 0.140 0.000 1.203 148 G CA 2.632 47.824 45.100 0.153 0.000 1.202 148 G HN 0.177 8.442 8.290 0.180 0.133 1.145 149 K N 0.427 120.904 120.400 0.128 0.000 2.358 149 K HA 0.275 4.643 4.320 0.081 0.000 0.200 149 K C 0.207 176.855 176.600 0.081 0.000 1.030 149 K CA -1.110 55.231 56.287 0.091 0.000 1.097 149 K CB -0.721 31.821 32.500 0.070 0.000 0.862 149 K HN 0.046 8.380 8.250 0.139 0.000 0.534 150 D N -0.233 120.240 120.400 0.122 0.000 2.349 150 D HA 0.016 4.683 4.640 0.045 0.000 0.215 150 D C -1.739 174.542 176.300 -0.032 0.000 1.016 150 D CA 1.674 55.719 54.000 0.075 0.000 0.870 150 D CB 0.551 41.441 40.800 0.150 0.000 0.917 150 D HN 0.345 8.668 8.370 0.185 0.158 0.524 151 L N 0.052 121.268 121.223 -0.011 0.000 2.296 151 L HA 0.723 5.068 4.340 -0.275 -0.170 0.286 151 L C -2.413 174.365 176.870 -0.152 0.000 1.023 151 L CA -0.632 54.116 54.840 -0.153 0.000 0.812 151 L CB 2.326 44.336 42.059 -0.081 0.000 1.223 151 L HN -0.904 7.299 8.230 0.071 0.070 0.421 152 I N -0.494 119.919 120.570 -0.261 0.000 3.145 152 I HA 0.512 4.659 4.170 -0.038 0.000 0.313 152 I C -2.698 173.206 176.117 -0.354 0.000 1.122 152 I CA -1.459 59.746 61.300 -0.158 0.000 0.987 152 I CB 3.478 41.438 38.000 -0.066 0.000 1.236 152 I HN 0.693 8.701 8.210 -0.337 0.000 0.453 153 Y N -0.864 119.437 120.300 0.002 0.000 2.693 153 Y HA 0.983 5.682 4.550 -0.010 -0.156 0.331 153 Y C 0.217 176.125 175.900 0.014 0.000 1.092 153 Y CA -1.432 56.670 58.100 0.002 0.000 1.131 153 Y CB 3.752 42.218 38.460 0.010 0.000 1.318 153 Y HN 0.157 8.527 8.280 0.151 0.000 0.510 154 T N -0.378 114.300 114.554 0.207 0.000 2.865 154 T HA 0.292 4.719 4.350 0.129 0.000 0.294 154 T C -1.213 173.566 174.700 0.132 0.000 1.119 154 T CA -0.723 61.460 62.100 0.137 0.000 1.007 154 T CB 2.537 71.466 68.868 0.101 0.000 1.225 154 T HN 0.325 8.726 8.240 0.268 0.000 0.515 155 L N 0.117 121.417 121.223 0.128 0.000 2.678 155 L HA 0.281 4.727 4.340 0.068 -0.065 0.211 155 L C -1.341 175.604 176.870 0.126 0.000 1.043 155 L CA 1.717 56.616 54.840 0.098 0.000 0.881 155 L CB 2.565 44.678 42.059 0.089 0.000 1.361 155 L HN 0.274 8.595 8.230 0.151 0.000 0.484 156 Y N -6.392 113.901 120.300 -0.012 0.000 2.675 156 Y HA -0.204 4.341 4.550 -0.008 0.000 0.312 156 Y C -1.372 174.652 175.900 0.206 0.000 0.901 156 Y CA 0.254 58.324 58.100 -0.050 0.000 0.958 156 Y CB 0.721 38.955 38.460 -0.377 0.000 1.379 156 Y HN -0.675 7.735 8.280 0.216 0.000 0.544 189 V N -1.834 118.090 119.914 0.017 0.000 2.644 189 V HA 0.399 4.752 4.120 0.089 -0.180 0.295 189 V C -1.802 174.343 176.094 0.084 0.000 1.053 189 V CA -1.670 60.668 62.300 0.065 0.000 0.987 189 V CB 1.523 33.369 31.823 0.039 0.000 1.006 189 V HN 0.232 8.422 8.190 -0.001 0.000 0.472 190 Q N 3.148 123.030 119.800 0.136 0.000 2.418 190 Q HA 0.752 5.330 4.340 0.083 -0.189 0.282 190 Q C -1.969 174.111 176.000 0.134 0.000 1.044 190 Q CA -1.822 54.039 55.803 0.096 0.000 0.813 190 Q CB 4.835 33.597 28.738 0.041 0.000 1.428 190 Q HN -0.260 8.119 8.270 0.182 0.000 0.402 191 A N 3.334 126.163 122.820 0.016 0.000 2.305 191 A HA 0.552 4.644 4.320 -0.572 -0.115 0.322 191 A C -2.399 175.022 177.584 -0.271 0.000 1.187 191 A CA -1.813 50.054 52.037 -0.283 0.000 0.825 191 A CB 2.238 21.090 19.000 -0.247 0.000 1.164 191 A HN 0.854 9.008 8.150 0.008 0.000 0.498 192 V N 1.070 120.775 119.914 -0.349 0.000 2.925 192 V HA 0.771 4.961 4.120 -0.233 -0.209 0.311 192 V C -1.529 174.383 176.094 -0.303 0.000 1.104 192 V CA -1.389 60.760 62.300 -0.253 0.000 0.954 192 V CB 4.728 36.461 31.823 -0.150 0.000 1.022 192 V HN 0.919 8.716 8.190 -0.487 0.101 0.427 193 I N 3.541 123.941 120.570 -0.284 0.000 2.563 193 I HA 0.834 5.103 4.170 -0.261 -0.256 0.276 193 I C -1.502 174.505 176.117 -0.182 0.000 1.074 193 I CA -3.415 57.710 61.300 -0.291 0.000 1.124 193 I CB 2.346 40.065 38.000 -0.470 0.000 1.225 193 I HN 0.884 8.836 8.210 -0.249 0.109 0.482 194 P HA -0.054 4.316 4.420 -0.082 0.000 0.229 194 P C 0.129 177.394 177.300 -0.058 0.000 1.160 194 P CA 1.528 64.580 63.100 -0.079 0.000 0.777 194 P CB 0.052 31.718 31.700 -0.057 0.000 0.814 195 S N -2.611 113.056 115.700 -0.055 0.000 2.634 195 S HA -0.036 4.424 4.470 -0.017 0.000 0.221 195 S C 0.213 174.795 174.600 -0.029 0.000 0.952 195 S CA -0.048 58.138 58.200 -0.023 0.000 0.930 195 S CB -0.226 62.980 63.200 0.010 0.000 0.780 195 S HN 0.025 8.243 8.310 -0.070 0.049 0.498 196 R N 1.355 121.816 120.500 -0.066 0.000 2.549 196 R HA 0.226 4.536 4.340 -0.050 0.000 0.259 196 R C 0.276 176.545 176.300 -0.051 0.000 1.095 196 R CA -0.323 55.734 56.100 -0.072 0.000 1.148 196 R CB 1.495 31.720 30.300 -0.125 0.000 1.181 196 R HN -0.797 7.322 8.270 -0.084 0.100 0.571 197 T N -0.142 114.384 114.554 -0.047 0.000 3.087 197 T HA 0.087 4.420 4.350 -0.028 0.000 0.237 197 T C 0.513 175.191 174.700 -0.038 0.000 0.990 197 T CA 1.066 63.146 62.100 -0.033 0.000 1.160 197 T CB 0.770 69.624 68.868 -0.023 0.000 0.923 197 T HN 0.448 8.656 8.240 -0.053 0.000 0.442 198 V N -2.186 117.701 119.914 -0.045 0.000 3.093 198 V HA 0.265 4.365 4.120 -0.034 0.000 0.320 198 V C -0.499 175.555 176.094 -0.068 0.000 1.093 198 V CA -2.032 60.243 62.300 -0.042 0.000 1.016 198 V CB 1.874 33.683 31.823 -0.025 0.000 1.096 198 V HN -0.529 7.631 8.190 -0.050 0.000 0.452 199 N N -1.042 117.622 118.700 -0.059 0.000 2.702 199 N HA -0.377 4.325 4.740 -0.063 0.000 0.261 199 N C 0.502 175.938 175.510 -0.124 0.000 0.965 199 N CA 1.368 54.371 53.050 -0.079 0.000 0.795 199 N CB -1.931 36.510 38.487 -0.075 0.000 0.909 199 N HN 0.392 8.748 8.380 -0.039 0.000 0.546 200 R N -3.824 116.609 120.500 -0.111 0.000 2.115 200 R HA -0.279 3.954 4.340 -0.178 0.000 0.230 200 R C 0.230 176.436 176.300 -0.157 0.000 1.111 200 R CA 2.916 58.931 56.100 -0.140 0.000 0.976 200 R CB 0.586 30.826 30.300 -0.100 0.000 0.870 200 R HN 0.316 8.527 8.270 -0.083 0.010 0.445 201 K N -3.948 116.381 120.400 -0.118 0.000 2.258 201 K HA 0.669 5.083 4.320 -0.140 -0.179 0.236 201 K C -0.589 175.950 176.600 -0.102 0.000 1.008 201 K CA -1.593 54.628 56.287 -0.110 0.000 0.869 201 K CB 2.823 35.284 32.500 -0.065 0.000 1.171 201 K HN -0.626 7.567 8.250 -0.094 0.000 0.447 202 S N -0.632 115.016 115.700 -0.087 0.000 2.626 202 S HA 0.154 4.581 4.470 -0.071 0.000 0.243 202 S C -0.453 174.126 174.600 -0.034 0.000 1.116 202 S CA -0.122 58.040 58.200 -0.063 0.000 1.089 202 S CB 1.035 64.203 63.200 -0.053 0.000 1.180 202 S HN 0.170 8.431 8.310 -0.082 0.000 0.523 203 T N -1.883 112.661 114.554 -0.016 0.000 2.735 203 T HA 0.353 4.694 4.350 -0.014 0.000 0.262 203 T C -2.160 172.542 174.700 0.002 0.000 0.955 203 T CA -1.681 60.413 62.100 -0.010 0.000 1.022 203 T CB 1.122 69.983 68.868 -0.011 0.000 1.455 203 T HN -0.244 7.989 8.240 -0.011 0.000 0.583 204 D N -1.544 118.856 120.400 -0.001 0.000 2.525 204 D HA 1.031 5.919 4.640 0.017 -0.237 0.249 204 D C -0.767 175.532 176.300 -0.001 0.000 1.072 204 D CA -1.139 52.863 54.000 0.003 0.000 1.067 204 D CB 3.328 44.121 40.800 -0.011 0.000 1.282 204 D HN -0.015 8.350 8.370 -0.007 0.000 0.587 205 S N 0.000 115.697 115.700 -0.005 0.000 2.498 205 S HA 0.000 4.463 4.470 -0.011 0.000 0.327 205 S CA 0.000 58.194 58.200 -0.011 0.000 1.107 205 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 205 S HN 0.000 8.307 8.310 -0.004 0.000 0.517