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 2gzo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLQNHFLI AMPSLDDTFF ERTVIYLCEH DEKGAMGLVI NKPLGIEVNS DATA SEQUENCE LLEQMDLPTE QVSADLAMGS QVLMGGPVSQ DRGFVLHTSQ PYWANSTELG DATA SEQUENCE SGLMLTTSRD VLTAIGSKRS PDKFLVALGY AGWSKNQLEQ ELADNSWLTI DATA SEQUENCE PADHALLFDI NHEDRWQQAS RSLGFEAWQL STQAGHA 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 1 M HA 0.000 4.510 4.480 0.049 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 2 E N 2.176 122.371 120.200 -0.008 0.000 2.346 2 E HA 0.100 4.439 4.350 -0.019 0.000 0.317 2 E C -1.051 175.527 176.600 -0.037 0.000 1.404 2 E CA 0.048 56.433 56.400 -0.024 0.000 1.534 2 E CB -1.128 28.553 29.700 -0.032 0.000 1.309 2 E HN 0.298 8.656 8.360 -0.003 0.000 0.499 3 S N -0.630 115.066 115.700 -0.007 0.000 2.706 3 S HA 0.154 4.619 4.470 -0.010 0.000 0.270 3 S C -1.337 173.359 174.600 0.159 0.000 1.163 3 S CA -0.574 57.640 58.200 0.023 0.000 1.042 3 S CB 1.891 65.062 63.200 -0.047 0.000 1.079 3 S HN -0.167 8.063 8.310 0.003 0.082 0.474 4 L N 3.542 124.823 121.223 0.097 0.000 2.490 4 L HA 0.264 4.937 4.340 0.555 0.000 0.245 4 L C -0.307 176.615 176.870 0.086 0.000 1.185 4 L CA -0.882 54.022 54.840 0.107 0.000 0.813 4 L CB 0.695 42.597 42.059 -0.261 0.000 1.233 4 L HN 0.244 8.449 8.230 -0.041 0.000 0.489 5 Q N -3.033 116.630 119.800 -0.228 0.000 3.231 5 Q HA -0.443 3.797 4.340 -0.420 -0.152 0.028 5 Q C -0.509 175.442 176.000 -0.081 0.000 1.708 5 Q CA 0.784 56.460 55.803 -0.211 0.000 0.242 5 Q CB 0.310 29.056 28.738 0.013 0.000 0.586 5 Q HN 0.409 8.368 8.270 -0.518 0.000 0.322 6 N N 1.940 120.487 118.700 -0.255 0.000 2.780 6 N HA -0.457 4.220 4.740 -0.104 0.000 0.248 6 N C -2.590 172.971 175.510 0.086 0.000 1.102 6 N CA 1.651 54.667 53.050 -0.057 0.000 0.697 6 N CB -0.844 37.707 38.487 0.106 0.000 1.028 6 N HN 0.470 8.464 8.380 -0.489 0.093 0.554 7 H N -8.831 110.137 119.070 -0.170 0.000 2.904 7 H HA 0.530 5.130 4.556 -0.064 -0.082 0.290 7 H C -2.474 172.775 175.328 -0.132 0.000 1.437 7 H CA -0.896 55.109 56.048 -0.072 0.000 1.147 7 H CB 1.668 31.468 29.762 0.064 0.000 1.824 7 H HN -0.924 6.985 8.280 -0.588 0.018 0.505 8 F N -3.156 116.942 119.950 0.247 0.000 2.403 8 F HA 0.503 5.271 4.527 0.156 -0.148 0.326 8 F C -0.214 175.690 175.800 0.172 0.000 1.081 8 F CA -1.322 56.775 58.000 0.161 0.000 1.041 8 F CB 2.150 41.210 39.000 0.100 0.000 1.234 8 F HN -0.012 8.660 8.300 0.619 0.000 0.503 9 L N 0.139 121.563 121.223 0.335 0.000 2.287 9 L HA 0.564 5.286 4.340 0.347 -0.174 0.287 9 L C -1.019 175.985 176.870 0.223 0.000 1.022 9 L CA -1.119 53.928 54.840 0.345 0.000 0.814 9 L CB 1.458 43.793 42.059 0.459 0.000 1.217 9 L HN 0.705 9.138 8.230 0.337 0.000 0.420 10 I N 3.792 124.432 120.570 0.117 0.000 2.312 10 I HA 0.192 4.151 4.170 -0.351 0.000 0.290 10 I C -2.039 174.022 176.117 -0.093 0.000 1.008 10 I CA -0.889 60.329 61.300 -0.136 0.000 1.226 10 I CB 0.985 38.871 38.000 -0.191 0.000 1.371 10 I HN 0.869 9.082 8.210 0.189 0.110 0.468 11 A N 7.931 130.617 122.820 -0.224 0.000 2.311 11 A HA 0.536 4.564 4.320 -0.487 0.000 0.306 11 A C -1.056 176.457 177.584 -0.119 0.000 1.189 11 A CA -1.589 50.173 52.037 -0.459 0.000 0.791 11 A CB 2.210 20.472 19.000 -1.230 0.000 1.172 11 A HN 0.110 8.109 8.150 -0.252 0.000 0.481 12 M N 2.473 122.021 119.600 -0.087 0.000 2.250 12 M HA -0.005 4.572 4.480 0.161 0.000 0.325 12 M C -1.100 175.168 176.300 -0.053 0.000 1.084 12 M CA -1.086 54.224 55.300 0.018 0.000 1.161 12 M CB -0.473 32.122 32.600 -0.008 0.000 1.481 12 M HN 0.416 8.610 8.290 -0.160 0.000 0.449 13 P HA 0.052 4.426 4.420 -0.077 0.000 0.261 13 P C -1.591 175.664 177.300 -0.075 0.000 1.650 13 P CA 0.145 63.199 63.100 -0.076 0.000 0.846 13 P CB -1.923 29.714 31.700 -0.105 0.000 1.758 14 S N -1.494 114.160 115.700 -0.075 0.000 2.436 14 S HA -0.133 4.310 4.470 -0.045 0.000 0.228 14 S C 0.199 174.771 174.600 -0.047 0.000 1.014 14 S CA 2.114 60.282 58.200 -0.054 0.000 0.950 14 S CB 0.669 63.842 63.200 -0.045 0.000 0.784 14 S HN 0.087 8.216 8.310 -0.094 0.125 0.504 15 L N 1.995 123.181 121.223 -0.062 0.000 2.352 15 L HA 0.135 4.466 4.340 -0.015 0.000 0.272 15 L C -1.734 175.092 176.870 -0.072 0.000 1.109 15 L CA -0.492 54.325 54.840 -0.038 0.000 0.952 15 L CB -0.993 41.065 42.059 -0.003 0.000 1.314 15 L HN -0.676 7.472 8.230 -0.092 0.027 0.427 16 D N 3.572 123.925 120.400 -0.078 0.000 2.569 16 D HA 0.098 4.626 4.640 -0.187 0.000 0.266 16 D C -0.350 175.879 176.300 -0.120 0.000 1.164 16 D CA -0.664 53.259 54.000 -0.128 0.000 1.071 16 D CB 2.120 42.857 40.800 -0.104 0.000 1.183 16 D HN -0.168 8.170 8.370 -0.054 0.000 0.613 17 D N -1.859 118.447 120.400 -0.156 0.000 2.945 17 D HA -0.313 4.281 4.640 -0.077 0.000 0.225 17 D C -1.622 174.630 176.300 -0.080 0.000 1.158 17 D CA 1.364 55.310 54.000 -0.091 0.000 0.805 17 D CB -0.431 40.352 40.800 -0.029 0.000 1.098 17 D HN 0.300 8.553 8.370 -0.196 0.000 0.426 18 T N -2.602 111.832 114.554 -0.201 0.000 3.097 18 T HA 0.096 4.476 4.350 0.049 0.000 0.332 18 T C -1.136 173.426 174.700 -0.231 0.000 1.269 18 T CA -0.822 61.230 62.100 -0.080 0.000 1.076 18 T CB 1.378 70.261 68.868 0.024 0.000 1.209 18 T HN -0.683 7.304 8.240 -0.355 0.040 0.474 19 F N 8.527 128.554 119.950 0.127 0.000 2.319 19 F HA 0.244 4.846 4.527 0.124 0.000 0.356 19 F C -1.433 174.523 175.800 0.260 0.000 1.100 19 F CA -0.185 57.902 58.000 0.145 0.000 1.220 19 F CB -0.186 38.876 39.000 0.104 0.000 1.506 19 F HN 0.592 9.101 8.300 0.348 0.000 0.512 20 F N 0.789 120.824 119.950 0.142 0.000 2.405 20 F HA -0.027 4.564 4.527 0.107 0.000 0.432 20 F C -0.836 175.038 175.800 0.123 0.000 0.846 20 F CA 0.541 58.606 58.000 0.109 0.000 0.820 20 F CB 1.288 40.333 39.000 0.075 0.000 1.191 20 F HN 0.026 8.468 8.300 0.236 0.000 0.569 21 E N 0.725 121.085 120.200 0.266 0.000 2.622 21 E HA 0.203 4.784 4.350 0.385 0.000 0.255 21 E C -1.101 175.589 176.600 0.150 0.000 1.313 21 E CA -0.595 55.967 56.400 0.269 0.000 1.011 21 E CB 0.767 30.611 29.700 0.240 0.000 1.173 21 E HN -0.128 8.396 8.360 0.272 0.000 0.601 22 R N -4.388 116.134 120.500 0.037 0.000 3.724 22 R HA -0.506 3.448 4.340 -0.643 0.000 0.526 22 R C 0.082 176.378 176.300 -0.006 0.000 0.241 22 R CA 1.284 57.262 56.100 -0.202 0.000 1.638 22 R CB -0.924 29.314 30.300 -0.102 0.000 0.980 22 R HN 0.348 8.686 8.270 0.112 0.000 0.575 23 T N -2.926 111.698 114.554 0.117 0.000 0.541 23 T HA -0.487 4.223 4.350 0.600 0.000 0.774 23 T C -1.666 173.033 174.700 -0.000 0.000 0.992 23 T CA 1.101 63.346 62.100 0.242 0.000 4.077 23 T CB -0.050 68.966 68.868 0.247 0.000 2.303 23 T HN 0.040 8.377 8.240 0.162 0.000 0.398 24 V N 1.673 121.559 119.914 -0.046 0.000 2.383 24 V HA 0.312 4.641 4.120 -0.102 -0.270 0.275 24 V C -0.696 175.497 176.094 0.165 0.000 1.036 24 V CA -0.367 61.899 62.300 -0.057 0.000 0.889 24 V CB 0.004 31.723 31.823 -0.173 0.000 0.985 24 V HN 0.310 8.553 8.190 0.089 0.000 0.459 25 I N 6.720 127.447 120.570 0.261 0.000 2.474 25 I HA 0.262 4.679 4.170 0.237 -0.105 0.294 25 I C -2.028 174.281 176.117 0.320 0.000 1.005 25 I CA -1.299 60.175 61.300 0.290 0.000 1.113 25 I CB 3.194 41.392 38.000 0.330 0.000 1.289 25 I HN -0.146 8.230 8.210 0.277 0.000 0.436 26 Y N 8.050 128.425 120.300 0.125 0.000 2.331 26 Y HA 0.345 4.890 4.550 -0.227 -0.132 0.338 26 Y C -2.304 173.581 175.900 -0.026 0.000 0.976 26 Y CA -2.218 55.830 58.100 -0.086 0.000 1.137 26 Y CB 2.073 40.416 38.460 -0.194 0.000 1.172 26 Y HN 0.649 9.133 8.280 0.339 0.000 0.478 27 L N 6.641 127.417 121.223 -0.746 0.000 2.275 27 L HA 0.186 4.452 4.340 -0.287 -0.098 0.288 27 L C -0.319 175.959 176.870 -0.987 0.000 1.046 27 L CA -0.100 54.357 54.840 -0.638 0.000 0.805 27 L CB -0.032 41.678 42.059 -0.581 0.000 1.193 27 L HN 0.037 7.796 8.230 -0.785 0.000 0.426 28 C N 1.643 120.535 119.300 -0.681 0.000 2.563 28 C HA 0.256 4.303 4.460 -0.690 0.000 0.346 28 C C -0.052 174.717 174.990 -0.368 0.000 1.334 28 C CA -1.087 57.572 59.018 -0.598 0.000 1.938 28 C CB 2.204 29.582 27.740 -0.603 0.000 2.445 28 C HN 0.878 8.840 8.230 -0.447 0.000 0.541 29 E N 0.312 120.321 120.200 -0.317 0.000 2.280 29 E HA 0.039 4.284 4.350 -0.176 0.000 0.261 29 E C -1.602 174.912 176.600 -0.143 0.000 1.088 29 E CA -0.609 55.665 56.400 -0.211 0.000 0.915 29 E CB 1.229 30.799 29.700 -0.217 0.000 1.141 29 E HN -0.408 7.751 8.360 -0.335 0.000 0.433 30 H N 0.269 119.227 119.070 -0.187 0.000 2.991 30 H HA 0.175 4.612 4.556 -0.199 0.000 0.304 30 H C -1.400 173.842 175.328 -0.145 0.000 1.040 30 H CA -0.381 55.564 56.048 -0.171 0.000 1.410 30 H CB 0.807 30.482 29.762 -0.145 0.000 1.529 30 H HN 0.283 8.549 8.280 -0.025 0.000 0.509 31 D N 9.425 129.623 120.400 -0.338 0.000 2.722 31 D HA 0.138 4.700 4.640 -0.129 0.000 0.239 31 D C -0.180 175.952 176.300 -0.279 0.000 1.249 31 D CA -0.513 53.352 54.000 -0.226 0.000 0.830 31 D CB 0.112 40.807 40.800 -0.174 0.000 1.025 31 D HN 0.112 8.135 8.370 -0.430 0.090 0.486 32 E N -2.349 117.609 120.200 -0.403 0.000 3.871 32 E HA -0.561 3.671 4.350 -0.196 0.000 0.238 32 E C 0.601 177.007 176.600 -0.322 0.000 1.237 32 E CA 3.036 59.269 56.400 -0.280 0.000 2.074 32 E CB -2.254 27.381 29.700 -0.110 0.000 1.805 32 E HN 0.057 8.001 8.360 -0.533 0.096 0.314 33 K N 2.603 122.868 120.400 -0.224 0.000 2.296 33 K HA -0.127 4.085 4.320 -0.180 0.000 0.200 33 K C -0.187 176.262 176.600 -0.251 0.000 1.048 33 K CA 0.576 56.745 56.287 -0.196 0.000 0.966 33 K CB 0.666 33.087 32.500 -0.133 0.000 0.754 33 K HN -0.224 7.903 8.250 -0.180 0.015 0.466 34 G N -5.107 103.514 108.800 -0.298 0.000 3.176 34 G HA2 0.708 4.426 3.960 -0.383 0.000 0.272 34 G HA3 0.708 4.580 3.960 -0.281 -0.081 0.272 34 G C -2.566 172.074 174.900 -0.434 0.000 1.349 34 G CA -1.605 43.286 45.100 -0.349 0.000 0.953 34 G HN -0.681 7.280 8.290 -0.289 0.155 0.559 35 A N -2.173 120.375 122.820 -0.454 0.000 2.547 35 A HA 0.317 4.628 4.320 -0.340 -0.196 0.298 35 A C -2.299 175.099 177.584 -0.310 0.000 1.062 35 A CA 0.104 51.890 52.037 -0.419 0.000 0.748 35 A CB 2.956 21.665 19.000 -0.486 0.000 1.288 35 A HN 0.392 8.623 8.150 -0.491 -0.375 0.396 36 M N 2.373 121.873 119.600 -0.166 0.000 2.216 36 M HA 0.203 4.841 4.480 0.262 0.000 0.356 36 M C -0.948 175.373 176.300 0.036 0.000 1.205 36 M CA -1.166 54.127 55.300 -0.012 0.000 1.122 36 M CB 2.510 34.951 32.600 -0.266 0.000 1.571 36 M HN -0.191 8.075 8.290 -0.210 -0.101 0.464 37 G N 1.351 110.367 108.800 0.361 0.000 2.682 37 G HA2 0.746 4.804 3.960 0.123 0.000 0.290 37 G HA3 0.746 5.040 3.960 0.510 -0.028 0.290 37 G C -3.365 171.725 174.900 0.317 0.000 1.425 37 G CA -0.737 44.561 45.100 0.331 0.000 0.807 37 G HN -0.190 8.417 8.290 0.530 0.000 0.482 38 L N -0.981 120.444 121.223 0.337 0.000 2.362 38 L HA 0.553 4.973 4.340 0.133 0.000 0.275 38 L C -1.899 175.049 176.870 0.130 0.000 0.998 38 L CA -1.509 53.463 54.840 0.219 0.000 0.820 38 L CB 4.134 46.329 42.059 0.227 0.000 1.270 38 L HN 0.855 9.191 8.230 0.348 0.103 0.415 39 V N 5.950 125.864 119.914 0.000 0.000 2.427 39 V HA -0.015 4.135 4.120 0.050 0.000 0.268 39 V C 0.065 176.195 176.094 0.059 0.000 1.046 39 V CA 0.537 62.836 62.300 -0.002 0.000 0.970 39 V CB -0.580 31.161 31.823 -0.136 0.000 1.001 39 V HN -0.131 8.025 8.190 -0.055 0.000 0.476 40 I N 2.156 122.798 120.570 0.121 0.000 3.478 40 I HA 0.176 4.408 4.170 0.103 0.000 0.347 40 I C -0.907 175.294 176.117 0.140 0.000 1.443 40 I CA -1.298 60.081 61.300 0.131 0.000 1.097 40 I CB -1.108 36.993 38.000 0.170 0.000 1.598 40 I HN -0.379 7.921 8.210 0.151 0.000 0.474 41 N N 1.695 120.471 118.700 0.128 0.000 2.013 41 N HA -0.326 4.534 4.740 0.200 0.000 0.195 41 N C -0.415 175.191 175.510 0.160 0.000 1.051 41 N CA 1.926 55.075 53.050 0.164 0.000 0.851 41 N CB 0.497 39.083 38.487 0.164 0.000 1.044 41 N HN 0.152 8.515 8.380 0.097 0.075 0.422 42 K N -2.811 117.660 120.400 0.119 0.000 2.542 42 K HA 0.286 4.666 4.320 0.101 0.000 0.259 42 K C -2.517 174.116 176.600 0.055 0.000 0.932 42 K CA -2.229 54.112 56.287 0.090 0.000 0.820 42 K CB 1.750 34.298 32.500 0.080 0.000 1.345 42 K HN -0.117 8.194 8.250 0.103 0.000 0.432 43 P HA 0.037 4.474 4.420 0.029 0.000 0.264 43 P C -1.339 175.960 177.300 -0.002 0.000 1.236 43 P CA 0.276 63.388 63.100 0.020 0.000 0.811 43 P CB -0.296 31.410 31.700 0.010 0.000 0.840 44 L N 2.642 123.863 121.223 -0.002 0.000 2.286 44 L HA 0.548 4.872 4.340 -0.025 0.000 0.265 44 L C -0.747 176.114 176.870 -0.016 0.000 1.012 44 L CA -2.034 52.796 54.840 -0.016 0.000 0.818 44 L CB 2.630 44.678 42.059 -0.019 0.000 1.337 44 L HN -0.296 7.939 8.230 0.007 0.000 0.438 45 G N -0.984 107.803 108.800 -0.021 0.000 2.660 45 G HA2 0.383 4.335 3.960 -0.014 0.000 0.305 45 G HA3 0.383 4.331 3.960 -0.020 0.000 0.305 45 G C -1.127 173.763 174.900 -0.016 0.000 1.329 45 G CA -0.444 44.646 45.100 -0.018 0.000 1.000 45 G HN 0.116 8.390 8.290 -0.026 0.000 0.514 46 I N 5.444 126.007 120.570 -0.012 0.000 2.337 46 I HA 0.070 4.232 4.170 -0.012 0.000 0.291 46 I C -0.089 176.024 176.117 -0.007 0.000 1.046 46 I CA -2.593 58.701 61.300 -0.010 0.000 1.324 46 I CB -0.728 37.266 38.000 -0.010 0.000 1.409 46 I HN 0.817 8.949 8.210 -0.010 0.072 0.494 47 E N 8.476 128.672 120.200 -0.007 0.000 2.436 47 E HA -0.191 4.241 4.350 -0.004 -0.085 0.262 47 E C 1.437 178.037 176.600 0.000 0.000 1.063 47 E CA 0.258 56.656 56.400 -0.004 0.000 0.944 47 E CB 0.632 30.329 29.700 -0.006 0.000 0.950 47 E HN 0.435 8.789 8.360 -0.010 0.000 0.444 48 V N 3.088 123.004 119.914 0.003 0.000 2.720 48 V HA -0.278 3.849 4.120 0.011 0.000 0.256 48 V C 0.668 176.767 176.094 0.007 0.000 1.082 48 V CA 2.708 65.013 62.300 0.008 0.000 1.101 48 V CB 0.015 31.844 31.823 0.011 0.000 0.693 48 V HN 0.384 8.612 8.190 0.002 -0.037 0.479 49 N N -0.376 118.326 118.700 0.003 0.000 2.094 49 N HA -0.360 4.383 4.740 0.004 0.000 0.191 49 N C 2.159 177.670 175.510 0.002 0.000 1.023 49 N CA 3.651 56.703 53.050 0.002 0.000 0.857 49 N CB -0.692 37.795 38.487 -0.000 0.000 1.013 49 N HN 0.384 8.727 8.380 0.002 0.037 0.426 50 S N -0.041 115.659 115.700 0.000 0.000 2.402 50 S HA -0.136 4.648 4.470 -0.002 -0.316 0.229 50 S C 1.804 176.405 174.600 0.002 0.000 1.021 50 S CA 3.074 61.273 58.200 -0.001 0.000 0.974 50 S CB -0.233 62.964 63.200 -0.005 0.000 0.800 50 S HN -0.517 7.780 8.310 -0.000 0.013 0.484 51 L N 1.110 122.336 121.223 0.006 0.000 2.093 51 L HA -0.181 4.165 4.340 0.010 0.000 0.208 51 L C 1.899 178.776 176.870 0.013 0.000 1.085 51 L CA 2.334 57.181 54.840 0.011 0.000 0.755 51 L CB -1.123 40.947 42.059 0.018 0.000 0.904 51 L HN -0.828 7.303 8.230 0.006 0.103 0.435 52 L N -1.202 120.028 121.223 0.012 0.000 2.046 52 L HA -0.524 3.825 4.340 0.015 0.000 0.208 52 L C 2.365 179.240 176.870 0.009 0.000 1.077 52 L CA 3.585 58.432 54.840 0.012 0.000 0.747 52 L CB -0.743 41.322 42.059 0.010 0.000 0.896 52 L HN 0.334 8.495 8.230 0.010 0.076 0.432 53 E N -2.299 117.905 120.200 0.006 0.000 2.085 53 E HA -0.432 3.921 4.350 0.004 0.000 0.194 53 E C 2.543 179.147 176.600 0.005 0.000 0.994 53 E CA 2.901 59.304 56.400 0.004 0.000 0.801 53 E CB -0.529 29.172 29.700 0.001 0.000 0.743 53 E HN -0.199 8.164 8.360 0.005 0.000 0.453 54 Q N -0.928 118.875 119.800 0.006 0.000 2.020 54 Q HA -0.198 4.145 4.340 0.005 0.000 0.198 54 Q C 2.676 178.683 176.000 0.012 0.000 0.974 54 Q CA 2.502 58.309 55.803 0.007 0.000 0.829 54 Q CB 0.163 28.905 28.738 0.006 0.000 0.894 54 Q HN -0.716 7.452 8.270 0.006 0.106 0.433 55 M N -2.181 117.428 119.600 0.015 0.000 2.374 55 M HA -0.311 4.181 4.480 0.021 0.000 0.264 55 M C 1.543 177.852 176.300 0.016 0.000 1.067 55 M CA 3.466 58.778 55.300 0.019 0.000 1.103 55 M CB -0.160 32.454 32.600 0.023 0.000 1.402 55 M HN 0.262 8.561 8.290 0.015 0.000 0.444 56 D N -0.155 120.253 120.400 0.013 0.000 2.182 56 D HA -0.230 4.417 4.640 0.012 0.000 0.201 56 D C 0.217 176.523 176.300 0.010 0.000 0.986 56 D CA 2.453 56.460 54.000 0.011 0.000 0.847 56 D CB 0.507 41.312 40.800 0.008 0.000 0.942 56 D HN -0.608 7.727 8.370 0.012 0.043 0.467 57 L N 0.679 121.908 121.223 0.010 0.000 2.295 57 L HA 0.378 4.723 4.340 0.009 0.000 0.288 57 L C -2.028 174.849 176.870 0.012 0.000 1.079 57 L CA -2.766 52.079 54.840 0.010 0.000 0.830 57 L CB 0.800 42.864 42.059 0.008 0.000 1.200 57 L HN -0.659 7.553 8.230 0.010 0.024 0.438 58 P HA 0.329 4.757 4.420 0.014 0.000 0.225 58 P C -1.246 176.061 177.300 0.012 0.000 1.830 58 P CA -0.510 62.597 63.100 0.012 0.000 1.051 58 P CB -1.005 30.701 31.700 0.011 0.000 1.929 59 T N 1.579 116.141 114.554 0.013 0.000 3.311 59 T HA -0.013 4.344 4.350 0.012 0.000 0.239 59 T C 0.539 175.248 174.700 0.015 0.000 0.976 59 T CA 0.215 62.323 62.100 0.013 0.000 1.283 59 T CB 0.803 69.678 68.868 0.012 0.000 1.113 59 T HN -0.196 8.002 8.240 0.014 0.050 0.392 60 E N 0.894 121.105 120.200 0.018 0.000 3.386 60 E HA 0.237 4.599 4.350 0.021 0.000 0.236 60 E C -1.214 175.402 176.600 0.025 0.000 1.227 60 E CA 0.490 56.903 56.400 0.022 0.000 0.970 60 E CB -0.418 29.296 29.700 0.024 0.000 1.343 60 E HN 0.226 8.596 8.360 0.017 0.000 0.397 61 Q N 0.112 119.927 119.800 0.025 0.000 1.539 61 Q HA -0.028 4.332 4.340 0.034 0.000 0.144 61 Q C -1.358 174.658 176.000 0.027 0.000 0.491 61 Q CA 0.277 56.097 55.803 0.029 0.000 0.823 61 Q CB 0.942 29.697 28.738 0.028 0.000 0.867 61 Q HN -0.126 8.157 8.270 0.021 0.000 0.182 62 V N 1.337 121.266 119.914 0.024 0.000 3.665 62 V HA -0.398 3.734 4.120 0.019 0.000 0.523 62 V C -1.296 174.813 176.094 0.026 0.000 0.682 62 V CA 1.462 63.775 62.300 0.021 0.000 2.080 62 V CB -0.070 31.763 31.823 0.017 0.000 2.492 62 V HN 0.423 8.626 8.190 0.022 0.000 0.514 63 S N -1.402 114.313 115.700 0.025 0.000 3.837 63 S HA -0.325 4.274 4.470 0.026 -0.114 0.627 63 S C -0.768 173.852 174.600 0.034 0.000 0.633 63 S CA 1.038 59.256 58.200 0.029 0.000 1.421 63 S CB -0.672 62.548 63.200 0.033 0.000 0.844 63 S HN 0.376 8.699 8.310 0.021 0.000 0.880 64 A N 1.086 123.923 122.820 0.029 0.000 3.012 64 A HA 0.213 4.553 4.320 0.033 0.000 0.295 64 A C -0.549 177.053 177.584 0.030 0.000 1.338 64 A CA -0.584 51.470 52.037 0.029 0.000 0.981 64 A CB 0.103 19.117 19.000 0.023 0.000 1.091 64 A HN -0.102 8.063 8.150 0.025 0.000 0.602 65 D N -1.789 118.633 120.400 0.036 0.000 2.336 65 D HA 0.081 4.739 4.640 0.029 0.000 0.229 65 D C -0.444 175.880 176.300 0.039 0.000 1.061 65 D CA 0.560 54.581 54.000 0.035 0.000 0.875 65 D CB -0.145 40.679 40.800 0.039 0.000 0.904 65 D HN 0.076 8.381 8.370 0.040 0.089 0.525 66 L N -5.582 115.666 121.223 0.040 0.000 2.452 66 L HA 0.027 4.487 4.340 0.046 -0.093 0.267 66 L C -0.271 176.619 176.870 0.033 0.000 1.188 66 L CA -0.190 54.675 54.840 0.041 0.000 0.821 66 L CB -0.773 41.314 42.059 0.046 0.000 1.102 66 L HN -0.825 7.332 8.230 0.040 0.097 0.470 67 A N 5.181 128.020 122.820 0.032 0.000 1.859 67 A HA -0.134 4.200 4.320 0.023 0.000 0.212 67 A C -0.029 177.569 177.584 0.023 0.000 1.238 67 A CA 1.402 53.454 52.037 0.025 0.000 0.613 67 A CB 0.686 19.700 19.000 0.024 0.000 0.904 67 A HN 0.513 8.685 8.150 0.036 0.000 0.457 68 M N -3.143 116.472 119.600 0.025 0.000 2.779 68 M HA 0.113 4.604 4.480 0.018 0.000 0.277 68 M C -1.104 175.210 176.300 0.024 0.000 1.284 68 M CA -0.532 54.781 55.300 0.020 0.000 0.801 68 M CB 2.595 35.204 32.600 0.015 0.000 1.712 68 M HN -0.468 7.840 8.290 0.030 0.000 0.453 69 G N -1.681 107.129 108.800 0.018 0.000 3.302 69 G HA2 0.111 4.085 3.960 0.024 0.000 0.137 69 G HA3 0.111 4.083 3.960 0.021 0.000 0.137 69 G C 0.009 174.913 174.900 0.007 0.000 1.353 69 G CA 0.422 45.533 45.100 0.018 0.000 0.965 69 G HN 0.353 8.650 8.290 0.013 0.000 0.564 70 S N 1.164 116.867 115.700 0.004 0.000 1.694 70 S HA -0.378 4.181 4.470 -0.003 -0.091 0.236 70 S C -0.250 174.346 174.600 -0.006 0.000 0.821 70 S CA 2.105 60.303 58.200 -0.003 0.000 1.530 70 S CB -0.975 62.222 63.200 -0.005 0.000 1.703 70 S HN 0.100 8.482 8.310 0.007 -0.068 0.517 71 Q N 2.866 122.661 119.800 -0.009 0.000 2.636 71 Q HA 0.154 4.486 4.340 -0.013 0.000 0.233 71 Q C -1.014 174.981 176.000 -0.009 0.000 1.143 71 Q CA -1.061 54.734 55.803 -0.013 0.000 0.969 71 Q CB 0.339 29.064 28.738 -0.021 0.000 1.185 71 Q HN -0.104 8.092 8.270 -0.008 0.069 0.546 72 V N 3.933 123.845 119.914 -0.003 0.000 2.532 72 V HA 0.053 4.178 4.120 0.008 0.000 0.295 72 V C -0.937 175.156 176.094 -0.001 0.000 1.041 72 V CA -1.105 61.198 62.300 0.004 0.000 0.926 72 V CB 2.079 33.909 31.823 0.010 0.000 0.992 72 V HN -0.249 7.999 8.190 -0.004 -0.060 0.457 73 L N 4.867 126.091 121.223 0.002 0.000 2.395 73 L HA 0.223 4.562 4.340 -0.001 0.000 0.269 73 L C -0.508 176.350 176.870 -0.019 0.000 1.133 73 L CA -0.448 54.391 54.840 -0.002 0.000 0.812 73 L CB 1.004 43.069 42.059 0.010 0.000 1.125 73 L HN 0.261 8.496 8.230 0.010 0.000 0.452 74 M N -0.003 119.585 119.600 -0.020 0.000 2.311 74 M HA 0.683 5.319 4.480 -0.056 -0.189 0.325 74 M C -0.470 175.805 176.300 -0.041 0.000 1.061 74 M CA -0.768 54.510 55.300 -0.036 0.000 0.957 74 M CB 3.328 35.915 32.600 -0.021 0.000 1.646 74 M HN 0.086 8.371 8.290 -0.009 0.000 0.434 75 G N -1.624 107.130 108.800 -0.077 0.000 3.088 75 G HA2 0.311 4.399 3.960 -0.048 0.000 0.217 75 G HA3 0.311 4.289 3.960 -0.101 -0.078 0.217 75 G C -1.255 173.610 174.900 -0.058 0.000 1.159 75 G CA -0.302 44.756 45.100 -0.070 0.000 0.760 75 G HN 0.896 9.008 8.290 -0.106 0.114 0.550 76 G N -1.403 107.373 108.800 -0.040 0.000 2.336 76 G HA2 0.005 4.012 3.960 0.079 0.000 0.300 76 G HA3 0.005 4.105 3.960 -0.011 -0.147 0.300 76 G C -2.775 172.121 174.900 -0.005 0.000 1.375 76 G CA 0.202 45.306 45.100 0.007 0.000 0.885 76 G HN -0.944 7.242 8.290 -0.042 0.079 0.599 77 P HA 0.067 4.478 4.420 -0.016 0.000 0.230 77 P C -0.730 176.525 177.300 -0.075 0.000 1.168 77 P CA 0.729 63.823 63.100 -0.011 0.000 0.793 77 P CB 0.797 32.504 31.700 0.011 0.000 0.851 78 V N -3.279 116.563 119.914 -0.121 0.000 2.644 78 V HA 0.275 4.319 4.120 -0.127 0.000 0.295 78 V C -0.378 175.466 176.094 -0.417 0.000 1.053 78 V CA -1.052 61.132 62.300 -0.193 0.000 0.987 78 V CB 1.000 32.752 31.823 -0.119 0.000 1.006 78 V HN -0.936 7.164 8.190 -0.091 0.036 0.472 79 S N 0.374 115.887 115.700 -0.312 0.000 3.587 79 S HA -0.422 4.141 4.470 -0.158 -0.188 0.337 79 S C 1.084 175.537 174.600 -0.246 0.000 1.119 79 S CA 0.787 58.798 58.200 -0.314 0.000 0.976 79 S CB -1.606 61.245 63.200 -0.580 0.000 0.922 79 S HN 0.598 8.796 8.310 -0.186 0.000 0.503 80 Q N -0.795 118.904 119.800 -0.170 0.000 2.364 80 Q HA -0.231 4.120 4.340 -0.128 -0.088 0.209 80 Q C -0.492 175.471 176.000 -0.061 0.000 0.977 80 Q CA 2.189 57.926 55.803 -0.110 0.000 0.885 80 Q CB -0.364 28.328 28.738 -0.077 0.000 0.941 80 Q HN 0.361 8.514 8.270 -0.155 0.025 0.464 81 D N -4.406 115.965 120.400 -0.049 0.000 2.317 81 D HA -0.125 4.510 4.640 -0.008 0.000 0.211 81 D C 0.059 176.365 176.300 0.010 0.000 0.966 81 D CA 1.465 55.457 54.000 -0.013 0.000 0.876 81 D CB 0.063 40.860 40.800 -0.005 0.000 0.927 81 D HN 0.237 8.502 8.370 -0.066 0.065 0.519 82 R N -2.119 118.384 120.500 0.006 0.000 2.588 82 R HA 0.186 4.566 4.340 0.067 0.000 0.115 82 R C -0.575 175.760 176.300 0.059 0.000 1.578 82 R CA 0.192 56.327 56.100 0.058 0.000 1.329 82 R CB 2.476 32.838 30.300 0.102 0.000 1.152 82 R HN -0.264 7.805 8.270 -0.034 0.181 0.437 83 G N -2.446 106.419 108.800 0.108 0.000 2.553 83 G HA2 -0.299 3.807 3.960 0.243 0.000 0.242 83 G HA3 -0.299 3.663 3.960 -0.090 -0.056 0.242 83 G C -1.845 173.209 174.900 0.256 0.000 1.277 83 G CA 0.000 45.158 45.100 0.096 0.000 0.910 83 G HN -0.252 8.125 8.290 0.145 0.000 0.576 84 F N -4.376 115.678 119.950 0.173 0.000 2.604 84 F HA 0.551 5.273 4.527 0.156 -0.102 0.316 84 F C -1.769 174.126 175.800 0.158 0.000 1.136 84 F CA -1.629 56.466 58.000 0.159 0.000 0.989 84 F CB 2.649 41.736 39.000 0.146 0.000 1.258 84 F HN -0.517 7.458 8.300 -0.542 0.000 0.451 85 V N 1.465 121.575 119.914 0.327 0.000 2.532 85 V HA 0.177 4.438 4.120 0.235 0.000 0.295 85 V C -1.476 174.833 176.094 0.358 0.000 1.041 85 V CA -0.680 61.797 62.300 0.296 0.000 0.926 85 V CB 2.055 34.043 31.823 0.275 0.000 0.992 85 V HN 0.967 9.263 8.190 0.349 0.102 0.457 86 L N 4.149 125.588 121.223 0.360 0.000 2.346 86 L HA 0.811 5.454 4.340 0.227 -0.167 0.276 86 L C -0.994 176.281 176.870 0.675 0.000 1.006 86 L CA -1.644 53.380 54.840 0.307 0.000 0.817 86 L CB 1.189 43.205 42.059 -0.073 0.000 1.272 86 L HN 0.262 8.708 8.230 0.361 0.000 0.421 87 H N -2.194 117.157 119.070 0.469 0.000 2.960 87 H HA 0.637 5.640 4.556 0.745 0.000 0.338 87 H C -0.456 175.190 175.328 0.530 0.000 1.261 87 H CA -2.075 54.295 56.048 0.538 0.000 1.136 87 H CB 2.575 32.422 29.762 0.142 0.000 1.875 87 H HN 0.767 9.119 8.280 0.118 0.000 0.550 88 T N -3.147 111.643 114.554 0.394 0.000 2.680 88 T HA -0.119 4.515 4.350 0.316 -0.094 0.314 88 T C 0.176 174.895 174.700 0.031 0.000 1.045 88 T CA 0.443 62.673 62.100 0.217 0.000 1.025 88 T CB 0.485 69.433 68.868 0.134 0.000 1.000 88 T HN -0.126 8.332 8.240 0.364 0.000 0.535 89 S N 0.660 116.352 115.700 -0.012 0.000 2.510 89 S HA -0.122 4.294 4.470 -0.140 -0.030 0.279 89 S C -0.849 173.707 174.600 -0.075 0.000 1.284 89 S CA 1.519 59.666 58.200 -0.088 0.000 1.059 89 S CB 0.267 63.393 63.200 -0.123 0.000 0.901 89 S HN -0.193 8.126 8.310 0.015 0.000 0.491 90 Q N 7.770 127.502 119.800 -0.113 0.000 2.263 90 Q HA 0.309 4.399 4.340 -0.416 0.000 0.262 90 Q C -2.239 173.515 176.000 -0.410 0.000 0.984 90 Q CA -2.360 53.271 55.803 -0.287 0.000 0.813 90 Q CB 2.650 31.380 28.738 -0.014 0.000 1.299 90 Q HN -0.002 8.205 8.270 -0.104 0.000 0.428 91 P HA 0.026 4.327 4.420 -0.198 0.000 0.253 91 P C -2.027 175.113 177.300 -0.266 0.000 1.281 91 P CA 0.531 63.390 63.100 -0.401 0.000 0.792 91 P CB 0.251 31.763 31.700 -0.313 0.000 1.193 92 Y N -3.567 116.817 120.300 0.140 0.000 2.782 92 Y HA 0.159 4.780 4.550 0.119 0.000 0.329 92 Y C -1.194 174.881 175.900 0.292 0.000 1.192 92 Y CA -3.412 54.787 58.100 0.164 0.000 1.216 92 Y CB 0.667 39.214 38.460 0.145 0.000 1.447 92 Y HN -0.806 6.912 8.280 -0.727 0.126 0.616 93 W N -1.550 119.880 121.300 0.217 0.000 3.078 93 W HA -0.350 4.357 4.660 0.078 0.000 0.460 93 W C -0.347 176.220 176.519 0.080 0.000 1.864 93 W CA -0.201 57.209 57.345 0.109 0.000 0.459 93 W CB 0.350 29.859 29.460 0.081 0.000 2.859 93 W HN 0.116 8.584 8.180 0.480 0.000 0.416 94 A N 5.296 127.624 122.820 -0.821 0.000 1.908 94 A HA -0.269 3.860 4.320 -0.318 0.000 0.218 94 A C -0.604 176.762 177.584 -0.363 0.000 1.181 94 A CA 2.252 53.934 52.037 -0.592 0.000 0.627 94 A CB 0.003 18.561 19.000 -0.737 0.000 0.818 94 A HN 0.284 7.554 8.150 -1.466 0.000 0.445 95 N N -0.747 117.705 118.700 -0.413 0.000 2.626 95 N HA 0.118 4.860 4.740 0.003 0.000 0.242 95 N C -2.116 173.588 175.510 0.323 0.000 1.005 95 N CA -0.407 52.657 53.050 0.024 0.000 0.905 95 N CB 0.336 38.881 38.487 0.095 0.000 1.128 95 N HN 0.004 7.734 8.380 -1.083 0.000 0.512 96 S N 2.639 118.476 115.700 0.228 0.000 2.540 96 S HA 0.687 5.544 4.470 0.324 -0.193 0.275 96 S C -1.426 173.240 174.600 0.109 0.000 1.123 96 S CA -0.420 57.926 58.200 0.244 0.000 0.907 96 S CB 3.776 67.131 63.200 0.259 0.000 1.081 96 S HN 0.051 8.435 8.310 0.124 0.000 0.476 97 T N 3.113 117.707 114.554 0.067 0.000 3.193 97 T HA 0.132 4.494 4.350 0.021 0.000 0.332 97 T C -2.308 172.391 174.700 -0.001 0.000 1.208 97 T CA -0.236 61.880 62.100 0.027 0.000 1.080 97 T CB 2.204 71.090 68.868 0.029 0.000 1.180 97 T HN -0.132 8.225 8.240 0.061 -0.080 0.469 98 E N 4.467 124.664 120.200 -0.005 0.000 2.343 98 E HA 0.290 4.650 4.350 0.017 0.000 0.278 98 E C -1.610 175.001 176.600 0.020 0.000 0.910 98 E CA -0.676 55.725 56.400 0.001 0.000 0.757 98 E CB 1.748 31.422 29.700 -0.042 0.000 1.218 98 E HN 0.166 8.524 8.360 -0.003 0.000 0.435 99 L N 5.315 126.574 121.223 0.060 0.000 2.127 99 L HA 0.382 4.745 4.340 0.039 0.000 0.203 99 L C 0.048 176.959 176.870 0.068 0.000 1.080 99 L CA 0.792 55.670 54.840 0.063 0.000 0.768 99 L CB 0.614 42.718 42.059 0.075 0.000 0.924 99 L HN 0.590 8.880 8.230 0.101 0.000 0.444 100 G N -1.602 107.256 108.800 0.096 0.000 2.887 100 G HA2 0.130 4.112 3.960 0.037 0.000 0.210 100 G HA3 0.130 4.162 3.960 0.119 0.000 0.210 100 G C -1.364 173.478 174.900 -0.096 0.000 1.964 100 G CA 0.095 45.221 45.100 0.044 0.000 0.738 100 G HN -0.118 8.685 8.290 0.168 -0.412 0.790 101 S N 0.068 115.594 115.700 -0.291 0.000 2.614 101 S HA 0.138 4.437 4.470 -0.285 0.000 0.259 101 S C -1.405 172.797 174.600 -0.663 0.000 1.118 101 S CA 0.220 58.205 58.200 -0.358 0.000 1.065 101 S CB 1.999 65.090 63.200 -0.182 0.000 1.121 101 S HN -0.150 7.967 8.310 -0.321 0.000 0.458 102 G N 2.709 111.099 108.800 -0.682 0.000 4.178 102 G HA2 0.100 3.905 3.960 -0.258 0.000 0.188 102 G HA3 0.100 3.613 3.960 -0.745 0.000 0.188 102 G C -2.301 172.516 174.900 -0.139 0.000 0.968 102 G CA 0.891 45.701 45.100 -0.484 0.000 0.965 102 G HN 0.152 8.295 8.290 -0.495 -0.149 0.396 103 L N -3.906 117.256 121.223 -0.102 0.000 2.357 103 L HA 0.596 4.957 4.340 0.021 -0.009 0.244 103 L C -2.482 174.307 176.870 -0.135 0.000 1.115 103 L CA -0.761 54.070 54.840 -0.016 0.000 0.919 103 L CB 2.928 45.003 42.059 0.027 0.000 1.532 103 L HN 0.307 8.890 8.230 -0.213 -0.481 0.416 104 M N -3.498 115.926 119.600 -0.293 0.000 2.484 104 M HA 0.468 5.057 4.480 -0.155 -0.202 0.289 104 M C -1.792 174.356 176.300 -0.254 0.000 1.206 104 M CA -1.658 53.438 55.300 -0.340 0.000 0.892 104 M CB 5.158 37.451 32.600 -0.512 0.000 1.712 104 M HN 0.656 8.643 8.290 -0.333 0.103 0.462 105 L N 2.051 123.262 121.223 -0.021 0.000 2.325 105 L HA 0.688 5.275 4.340 0.149 -0.158 0.279 105 L C -0.370 176.655 176.870 0.258 0.000 1.054 105 L CA -0.555 54.358 54.840 0.120 0.000 0.804 105 L CB 1.778 43.884 42.059 0.078 0.000 1.200 105 L HN 0.434 8.621 8.230 -0.009 0.038 0.436 106 T N 3.772 118.529 114.554 0.337 0.000 2.933 106 T HA 0.411 5.048 4.350 0.342 -0.082 0.305 106 T C -1.465 173.416 174.700 0.302 0.000 1.092 106 T CA -1.292 61.027 62.100 0.366 0.000 1.008 106 T CB 3.187 72.327 68.868 0.453 0.000 1.102 106 T HN 0.713 9.156 8.240 0.338 0.000 0.469 107 T N 1.831 116.536 114.554 0.252 0.000 2.919 107 T HA 0.047 4.535 4.350 0.232 0.000 0.302 107 T C 0.581 175.400 174.700 0.198 0.000 1.031 107 T CA -0.381 61.846 62.100 0.212 0.000 1.127 107 T CB 0.410 69.372 68.868 0.157 0.000 0.952 107 T HN 0.311 8.695 8.240 0.241 0.000 0.540 108 S N 5.906 121.708 115.700 0.169 0.000 3.900 108 S HA -0.022 4.539 4.470 0.152 0.000 0.248 108 S C -0.916 173.752 174.600 0.114 0.000 1.310 108 S CA 0.967 59.250 58.200 0.137 0.000 0.915 108 S CB -0.962 62.300 63.200 0.104 0.000 1.588 108 S HN 0.794 9.207 8.310 0.172 0.000 0.472 109 R N 3.541 124.118 120.500 0.127 0.000 4.485 109 R HA 0.085 4.479 4.340 0.090 0.000 0.062 109 R C -1.150 175.226 176.300 0.126 0.000 0.733 109 R CA 2.131 58.293 56.100 0.104 0.000 1.826 109 R CB 0.785 31.134 30.300 0.082 0.000 1.459 109 R HN -0.087 8.228 8.270 0.157 0.049 0.422 110 D N 1.516 122.007 120.400 0.152 0.000 2.219 110 D HA -0.183 4.546 4.640 0.147 0.000 0.205 110 D C 1.964 178.483 176.300 0.365 0.000 0.970 110 D CA 3.485 57.606 54.000 0.202 0.000 0.851 110 D CB 0.082 40.952 40.800 0.116 0.000 0.943 110 D HN 0.054 8.508 8.370 0.139 0.000 0.488 111 V N -0.277 119.824 119.914 0.311 0.000 2.667 111 V HA -0.307 3.913 4.120 0.167 0.000 0.252 111 V C 1.043 177.196 176.094 0.098 0.000 1.065 111 V CA 2.676 65.086 62.300 0.184 0.000 1.083 111 V CB 0.158 32.053 31.823 0.120 0.000 0.692 111 V HN -0.807 7.515 8.190 0.265 0.027 0.468 112 L N -1.413 119.882 121.223 0.119 0.000 2.056 112 L HA -0.279 4.115 4.340 0.090 0.000 0.207 112 L C 2.388 179.306 176.870 0.080 0.000 1.078 112 L CA 2.830 57.725 54.840 0.092 0.000 0.749 112 L CB -1.636 40.473 42.059 0.084 0.000 0.901 112 L HN -0.486 7.685 8.230 0.138 0.142 0.433 113 T N -1.639 112.974 114.554 0.098 0.000 2.915 113 T HA -0.327 4.064 4.350 0.068 0.000 0.269 113 T C 1.545 176.296 174.700 0.085 0.000 1.071 113 T CA 3.216 65.369 62.100 0.089 0.000 1.132 113 T CB -0.186 68.740 68.868 0.097 0.000 0.878 113 T HN -0.741 7.570 8.240 0.118 0.000 0.479 114 A N 0.541 123.415 122.820 0.090 0.000 1.969 114 A HA -0.161 4.180 4.320 0.035 0.000 0.218 114 A C 2.594 180.144 177.584 -0.056 0.000 1.169 114 A CA 2.543 54.573 52.037 -0.011 0.000 0.635 114 A CB -0.851 18.020 19.000 -0.214 0.000 0.810 114 A HN -0.684 7.421 8.150 0.128 0.122 0.445 115 I N -3.575 116.990 120.570 -0.009 0.000 2.493 115 I HA -0.395 3.795 4.170 0.033 0.000 0.254 115 I C 1.016 177.153 176.117 0.033 0.000 1.160 115 I CA 1.903 63.223 61.300 0.034 0.000 1.445 115 I CB -0.265 37.785 38.000 0.084 0.000 1.086 115 I HN -0.421 7.668 8.210 0.015 0.130 0.433 116 G N -3.572 105.247 108.800 0.031 0.000 2.450 116 G HA2 -0.189 3.789 3.960 0.030 0.000 0.220 116 G HA3 -0.189 3.791 3.960 0.032 0.000 0.220 116 G C -0.106 174.806 174.900 0.020 0.000 1.130 116 G CA 0.497 45.614 45.100 0.029 0.000 0.760 116 G HN -0.685 7.469 8.290 0.035 0.157 0.557 117 S N 0.784 116.490 115.700 0.011 0.000 2.577 117 S HA 0.176 4.651 4.470 0.008 0.000 0.294 117 S C -1.386 173.207 174.600 -0.012 0.000 1.161 117 S CA -2.030 56.172 58.200 0.003 0.000 1.143 117 S CB 0.226 63.429 63.200 0.005 0.000 0.991 117 S HN -0.673 7.514 8.310 0.007 0.127 0.475 118 K N 5.732 126.134 120.400 0.002 0.000 2.307 118 K HA -0.099 4.231 4.320 0.015 0.000 0.285 118 K C 0.058 176.652 176.600 -0.009 0.000 1.073 118 K CA 0.722 57.015 56.287 0.009 0.000 0.996 118 K CB -0.541 31.974 32.500 0.026 0.000 0.994 118 K HN 0.373 8.628 8.250 0.008 0.000 0.452 119 R N 5.190 125.665 120.500 -0.042 0.000 2.797 119 R HA 0.173 4.496 4.340 -0.028 0.000 0.274 119 R C -1.396 174.840 176.300 -0.105 0.000 1.652 119 R CA -0.159 55.906 56.100 -0.058 0.000 1.175 119 R CB 0.539 30.799 30.300 -0.066 0.000 1.283 119 R HN 0.515 8.744 8.270 -0.068 0.000 0.513 120 S N 5.525 121.202 115.700 -0.039 0.000 2.578 120 S HA 0.473 4.817 4.470 -0.210 0.000 0.283 120 S C -0.825 173.756 174.600 -0.031 0.000 1.195 120 S CA -1.851 56.328 58.200 -0.034 0.000 1.050 120 S CB 0.806 64.131 63.200 0.209 0.000 1.012 120 S HN -0.063 8.249 8.310 0.004 0.000 0.511 121 P HA -0.102 4.325 4.420 0.011 0.000 0.210 121 P C -0.943 176.378 177.300 0.036 0.000 1.191 121 P CA 2.126 65.232 63.100 0.010 0.000 0.917 121 P CB 0.425 32.148 31.700 0.040 0.000 0.778 122 D N -4.887 115.546 120.400 0.056 0.000 2.278 122 D HA -0.012 4.642 4.640 0.025 0.000 0.228 122 D C -1.002 175.307 176.300 0.014 0.000 1.364 122 D CA 0.401 54.416 54.000 0.025 0.000 1.345 122 D CB 1.011 41.811 40.800 -0.001 0.000 1.961 122 D HN 0.355 8.777 8.370 0.087 0.000 0.396 123 K N -1.378 119.005 120.400 -0.028 0.000 2.508 123 K HA 0.296 4.577 4.320 -0.066 0.000 0.260 123 K C -2.320 174.208 176.600 -0.120 0.000 0.949 123 K CA -0.482 55.723 56.287 -0.136 0.000 0.834 123 K CB 2.551 34.862 32.500 -0.316 0.000 1.365 123 K HN -0.176 8.047 8.250 -0.045 0.000 0.437 124 F N -4.283 115.492 119.950 -0.291 0.000 2.807 124 F HA 0.246 4.746 4.527 -0.107 -0.037 0.316 124 F C -2.561 173.298 175.800 0.099 0.000 1.162 124 F CA -1.072 56.898 58.000 -0.051 0.000 0.910 124 F CB 2.602 41.669 39.000 0.112 0.000 1.314 124 F HN -0.327 7.724 8.300 -0.414 0.000 0.454 125 L N -4.380 117.068 121.223 0.375 0.000 2.393 125 L HA 0.536 4.821 4.340 -0.092 0.000 0.260 125 L C -2.278 174.756 176.870 0.273 0.000 1.002 125 L CA -1.169 53.778 54.840 0.177 0.000 0.818 125 L CB 3.075 45.273 42.059 0.231 0.000 1.369 125 L HN 0.476 9.139 8.230 0.723 0.000 0.412 126 V N 1.545 121.554 119.914 0.158 0.000 2.350 126 V HA 0.169 4.411 4.120 0.204 0.000 0.285 126 V C -1.664 174.473 176.094 0.071 0.000 1.014 126 V CA -0.208 62.186 62.300 0.156 0.000 0.831 126 V CB 1.294 33.211 31.823 0.157 0.000 1.000 126 V HN 0.430 8.662 8.190 0.069 0.000 0.433 127 A N 7.182 130.021 122.820 0.032 0.000 2.356 127 A HA 0.844 5.274 4.320 -0.029 -0.127 0.310 127 A C -1.999 175.520 177.584 -0.108 0.000 1.075 127 A CA -2.026 49.979 52.037 -0.054 0.000 0.746 127 A CB 2.789 21.724 19.000 -0.108 0.000 1.221 127 A HN 0.256 8.439 8.150 0.056 0.000 0.443 128 L N -1.687 119.480 121.223 -0.093 0.000 2.334 128 L HA 0.880 5.332 4.340 -0.092 -0.167 0.273 128 L C 0.679 177.465 176.870 -0.139 0.000 1.013 128 L CA -1.973 52.810 54.840 -0.094 0.000 0.816 128 L CB 2.194 44.225 42.059 -0.046 0.000 1.278 128 L HN 0.688 8.765 8.230 -0.069 0.111 0.431 129 G N -0.276 108.421 108.800 -0.173 0.000 2.860 129 G HA2 -0.342 3.537 3.960 -0.428 0.000 0.553 129 G HA3 -0.342 3.642 3.960 -0.221 -0.156 0.553 129 G C -1.697 173.072 174.900 -0.218 0.000 1.439 129 G CA 0.077 45.011 45.100 -0.276 0.000 0.879 129 G HN -0.396 7.891 8.290 -0.137 -0.079 0.545 130 Y N -5.422 114.854 120.300 -0.039 0.000 2.840 130 Y HA 0.255 4.795 4.550 -0.094 -0.047 0.324 130 Y C -1.366 174.499 175.900 -0.058 0.000 1.378 130 Y CA -2.825 55.255 58.100 -0.034 0.000 1.077 130 Y CB 1.122 39.653 38.460 0.118 0.000 1.361 130 Y HN -0.017 7.892 8.280 -0.618 0.000 0.459 131 A N -0.701 122.209 122.820 0.149 0.000 2.445 131 A HA 0.045 4.234 4.320 -0.219 0.000 0.242 131 A C 1.129 178.730 177.584 0.029 0.000 1.075 131 A CA -0.347 51.569 52.037 -0.202 0.000 0.777 131 A CB 0.204 18.641 19.000 -0.938 0.000 1.013 131 A HN 0.682 8.946 8.150 0.190 0.000 0.493 132 G N 0.369 109.173 108.800 0.007 0.000 3.414 132 G HA2 -0.042 4.022 3.960 0.174 0.000 0.258 132 G HA3 -0.042 3.994 3.960 0.128 0.000 0.258 132 G C 0.032 175.014 174.900 0.138 0.000 1.348 132 G CA 0.060 45.230 45.100 0.117 0.000 1.319 132 G HN 0.641 8.945 8.290 0.024 0.000 0.555 133 W N 1.139 122.511 121.300 0.119 0.000 2.465 133 W HA -0.178 4.493 4.660 0.019 0.000 0.268 133 W C 0.833 177.363 176.519 0.018 0.000 1.242 133 W CA 1.419 58.781 57.345 0.028 0.000 1.248 133 W CB -0.879 28.555 29.460 -0.043 0.000 1.118 133 W HN -0.057 8.088 8.180 0.155 0.128 0.587 134 S N -0.914 114.946 115.700 0.268 0.000 2.380 134 S HA -0.304 4.242 4.470 0.127 0.000 0.229 134 S C 1.422 176.096 174.600 0.124 0.000 1.043 134 S CA 3.354 61.656 58.200 0.168 0.000 1.038 134 S CB -0.640 62.672 63.200 0.187 0.000 0.872 134 S HN -0.075 8.392 8.310 0.305 0.026 0.456 135 K N -0.975 119.504 120.400 0.131 0.000 2.217 135 K HA -0.140 4.223 4.320 0.072 0.000 0.202 135 K C 0.734 177.390 176.600 0.093 0.000 1.051 135 K CA 1.806 58.149 56.287 0.094 0.000 0.952 135 K CB 0.242 32.791 32.500 0.082 0.000 0.736 135 K HN -0.492 7.845 8.250 0.155 0.005 0.453 136 N N -2.192 116.592 118.700 0.141 0.000 2.202 136 N HA -0.065 4.731 4.740 0.093 0.000 0.191 136 N C -0.348 175.190 175.510 0.048 0.000 1.054 136 N CA 0.510 53.635 53.050 0.124 0.000 0.877 136 N CB 0.586 39.221 38.487 0.248 0.000 1.057 136 N HN -0.728 7.592 8.380 0.195 0.177 0.456 137 Q N -2.527 117.283 119.800 0.017 0.000 2.478 137 Q HA -0.363 4.049 4.340 -0.125 -0.147 0.286 137 Q C -1.921 174.016 176.000 -0.105 0.000 1.299 137 Q CA 0.634 56.394 55.803 -0.071 0.000 0.826 137 Q CB -1.316 27.395 28.738 -0.045 0.000 1.199 137 Q HN -0.079 8.291 8.270 0.073 -0.057 0.451 138 L N -6.329 114.818 121.223 -0.127 0.000 3.333 138 L HA 0.149 4.419 4.340 -0.116 0.000 0.299 138 L C 0.681 177.431 176.870 -0.201 0.000 1.256 138 L CA -0.247 54.518 54.840 -0.125 0.000 1.037 138 L CB -0.126 41.896 42.059 -0.062 0.000 1.423 138 L HN -0.006 8.139 8.230 -0.136 0.003 0.605 139 E N 1.220 121.224 120.200 -0.327 0.000 2.209 139 E HA -0.478 3.580 4.350 -0.486 0.000 0.196 139 E C 1.788 178.195 176.600 -0.321 0.000 0.993 139 E CA 3.611 59.732 56.400 -0.464 0.000 0.819 139 E CB -1.205 28.054 29.700 -0.735 0.000 0.745 139 E HN -0.207 7.886 8.360 -0.341 0.062 0.477 140 Q N -0.927 118.729 119.800 -0.241 0.000 2.045 140 Q HA -0.394 3.850 4.340 -0.159 0.000 0.206 140 Q C 2.054 177.981 176.000 -0.121 0.000 0.991 140 Q CA 3.012 58.716 55.803 -0.164 0.000 0.851 140 Q CB -0.400 28.256 28.738 -0.136 0.000 0.911 140 Q HN -0.585 7.510 8.270 -0.245 0.028 0.418 141 E N -1.308 118.826 120.200 -0.111 0.000 2.204 141 E HA -0.220 4.359 4.350 -0.048 -0.258 0.194 141 E C 2.363 178.922 176.600 -0.069 0.000 0.989 141 E CA 1.867 58.225 56.400 -0.069 0.000 0.824 141 E CB -0.666 29.003 29.700 -0.051 0.000 0.756 141 E HN -0.582 7.703 8.360 -0.125 0.000 0.477 142 L N -1.398 119.739 121.223 -0.144 0.000 2.131 142 L HA -0.269 3.991 4.340 -0.135 0.000 0.210 142 L C 0.855 177.654 176.870 -0.119 0.000 1.092 142 L CA 2.519 57.230 54.840 -0.215 0.000 0.759 142 L CB -0.140 41.647 42.059 -0.454 0.000 0.903 142 L HN -0.756 7.231 8.230 -0.182 0.134 0.435 143 A N -2.058 120.711 122.820 -0.085 0.000 1.873 143 A HA -0.295 4.072 4.320 0.079 0.000 0.215 143 A C 1.050 178.677 177.584 0.073 0.000 1.186 143 A CA 2.752 54.801 52.037 0.020 0.000 0.616 143 A CB -0.265 18.732 19.000 -0.004 0.000 0.823 143 A HN -0.616 7.326 8.150 -0.125 0.133 0.442 144 D N -4.262 116.160 120.400 0.036 0.000 2.317 144 D HA -0.225 4.447 4.640 0.053 0.000 0.211 144 D C 1.269 177.613 176.300 0.073 0.000 0.966 144 D CA 1.772 55.800 54.000 0.047 0.000 0.876 144 D CB 0.016 40.828 40.800 0.020 0.000 0.927 144 D HN -0.680 7.691 8.370 0.002 0.000 0.519 145 N N -0.993 117.763 118.700 0.093 0.000 2.092 145 N HA -0.185 4.608 4.740 0.088 0.000 0.189 145 N C 0.305 175.914 175.510 0.164 0.000 1.040 145 N CA 2.496 55.618 53.050 0.121 0.000 0.845 145 N CB 0.757 39.324 38.487 0.133 0.000 1.017 145 N HN -0.344 7.937 8.380 0.076 0.145 0.426 146 S N -2.944 112.914 115.700 0.263 0.000 2.660 146 S HA 0.057 4.613 4.470 0.144 0.000 0.262 146 S C -0.817 173.932 174.600 0.249 0.000 1.006 146 S CA 0.876 59.212 58.200 0.227 0.000 1.174 146 S CB 2.122 65.442 63.200 0.201 0.000 0.939 146 S HN -0.816 7.692 8.310 0.330 0.000 0.438 147 W N 1.016 122.351 121.300 0.059 0.000 2.181 147 W HA -0.090 4.615 4.660 0.075 0.000 0.335 147 W C 0.296 176.851 176.519 0.060 0.000 1.310 147 W CA 1.162 58.547 57.345 0.067 0.000 1.226 147 W CB 0.097 29.602 29.460 0.076 0.000 1.155 147 W HN -0.757 7.913 8.180 0.817 0.000 0.565 148 L N 1.162 122.533 121.223 0.246 0.000 2.325 148 L HA 0.337 4.768 4.340 0.150 0.000 0.279 148 L C 0.066 177.055 176.870 0.198 0.000 1.054 148 L CA -1.442 53.498 54.840 0.167 0.000 0.804 148 L CB 0.538 42.655 42.059 0.097 0.000 1.200 148 L HN 0.804 9.052 8.230 0.201 0.102 0.436 149 T N -1.089 113.558 114.554 0.155 0.000 2.809 149 T HA 0.721 5.453 4.350 0.319 -0.191 0.284 149 T C -0.826 173.928 174.700 0.090 0.000 0.992 149 T CA -2.053 60.151 62.100 0.174 0.000 0.957 149 T CB 1.391 70.299 68.868 0.066 0.000 0.942 149 T HN 0.035 8.342 8.240 0.112 0.000 0.439 150 I N -1.033 119.647 120.570 0.183 0.000 2.647 150 I HA 0.616 4.828 4.170 0.069 0.000 0.295 150 I C -2.661 173.604 176.117 0.247 0.000 1.078 150 I CA -3.966 57.421 61.300 0.145 0.000 1.048 150 I CB 2.644 40.714 38.000 0.117 0.000 1.239 150 I HN -0.080 8.333 8.210 0.338 0.000 0.421 151 P HA -0.102 4.456 4.420 0.231 0.000 0.268 151 P C -1.057 176.401 177.300 0.264 0.000 1.208 151 P CA -0.348 62.874 63.100 0.203 0.000 0.777 151 P CB 0.373 32.167 31.700 0.157 0.000 0.875 152 A N 1.567 124.496 122.820 0.181 0.000 2.327 152 A HA 0.070 4.744 4.320 0.591 0.000 0.283 152 A C -1.225 176.344 177.584 -0.025 0.000 1.127 152 A CA -0.650 51.474 52.037 0.145 0.000 0.810 152 A CB 1.268 20.200 19.000 -0.113 0.000 1.066 152 A HN -0.301 7.933 8.150 0.141 0.000 0.492 153 D N 1.533 121.973 120.400 0.066 0.000 2.575 153 D HA 0.225 4.721 4.640 -0.241 0.000 0.236 153 D C -0.185 176.040 176.300 -0.124 0.000 1.075 153 D CA -0.981 52.959 54.000 -0.101 0.000 0.860 153 D CB 3.204 43.990 40.800 -0.024 0.000 1.475 153 D HN -0.221 8.390 8.370 0.401 0.000 0.474 154 H N 2.984 122.034 119.070 -0.034 0.000 2.423 154 H HA -0.167 4.338 4.556 -0.085 0.000 0.297 154 H C 0.966 176.319 175.328 0.042 0.000 1.075 154 H CA 4.050 60.080 56.048 -0.030 0.000 1.342 154 H CB 0.111 29.855 29.762 -0.031 0.000 1.395 154 H HN 0.511 8.786 8.280 -0.007 0.000 0.530 155 A N -1.147 121.763 122.820 0.149 0.000 1.935 155 A HA -0.164 4.256 4.320 0.166 0.000 0.214 155 A C 0.922 178.559 177.584 0.087 0.000 1.178 155 A CA 2.514 54.624 52.037 0.121 0.000 0.640 155 A CB -0.116 18.927 19.000 0.073 0.000 0.825 155 A HN -0.075 8.347 8.150 0.123 -0.198 0.447 156 L N -0.560 120.692 121.223 0.047 0.000 2.131 156 L HA -0.207 4.109 4.340 -0.039 0.000 0.210 156 L C 1.419 178.299 176.870 0.017 0.000 1.092 156 L CA 2.857 57.688 54.840 -0.016 0.000 0.759 156 L CB -0.077 41.938 42.059 -0.073 0.000 0.903 156 L HN 0.041 8.684 8.230 0.045 -0.387 0.435 157 L N -1.663 119.643 121.223 0.138 0.000 2.007 157 L HA -0.290 4.235 4.340 0.309 0.000 0.205 157 L C 2.041 178.999 176.870 0.146 0.000 1.073 157 L CA 3.686 58.614 54.840 0.148 0.000 0.744 157 L CB -0.876 41.111 42.059 -0.119 0.000 0.898 157 L HN -0.187 8.093 8.230 0.114 0.018 0.435 158 F N -2.127 117.844 119.950 0.035 0.000 2.202 158 F HA -0.158 4.391 4.527 0.037 0.000 0.279 158 F C 1.775 177.581 175.800 0.009 0.000 1.077 158 F CA 1.979 59.998 58.000 0.031 0.000 1.193 158 F CB 0.357 39.383 39.000 0.043 0.000 1.090 158 F HN -0.579 7.858 8.300 0.228 0.000 0.516 159 D N -2.081 118.447 120.400 0.214 0.000 2.323 159 D HA -0.146 4.493 4.640 -0.001 0.000 0.209 159 D C 1.447 177.748 176.300 0.003 0.000 0.973 159 D CA 1.512 55.546 54.000 0.057 0.000 0.874 159 D CB 0.458 41.287 40.800 0.048 0.000 0.930 159 D HN -0.346 8.074 8.370 0.241 0.094 0.521 160 I N 1.475 122.052 120.570 0.012 0.000 2.382 160 I HA -0.285 3.856 4.170 -0.049 0.000 0.297 160 I C -1.121 174.940 176.117 -0.092 0.000 1.172 160 I CA 0.107 61.385 61.300 -0.037 0.000 1.825 160 I CB -2.403 35.579 38.000 -0.030 0.000 1.509 160 I HN -0.416 7.788 8.210 0.052 0.037 0.842 161 N N 2.735 121.324 118.700 -0.185 0.000 1.366 161 N HA -0.462 3.983 4.740 -0.491 0.000 0.141 161 N C 0.096 175.335 175.510 -0.450 0.000 0.460 161 N CA 3.317 56.072 53.050 -0.492 0.000 1.090 161 N CB -0.888 37.231 38.487 -0.614 0.000 1.396 161 N HN 0.393 8.614 8.380 -0.142 0.075 0.443 162 H N -4.357 114.741 119.070 0.046 0.000 1.762 162 H HA 0.025 4.625 4.556 0.072 0.000 0.147 162 H C 0.765 176.144 175.328 0.084 0.000 1.063 162 H CA 0.826 56.912 56.048 0.062 0.000 1.081 162 H CB 0.306 30.098 29.762 0.049 0.000 0.814 162 H HN -0.126 7.949 8.280 -0.341 0.000 0.296 163 E N 0.805 121.143 120.200 0.231 0.000 2.127 163 E HA -0.171 4.300 4.350 0.201 0.000 0.191 163 E C 1.628 178.310 176.600 0.137 0.000 0.964 163 E CA 2.693 59.198 56.400 0.175 0.000 0.832 163 E CB -0.514 29.265 29.700 0.132 0.000 0.790 163 E HN 0.072 8.582 8.360 0.250 0.000 0.465 164 D N 0.972 121.421 120.400 0.081 0.000 2.310 164 D HA -0.246 4.432 4.640 0.064 0.000 0.212 164 D C 1.362 177.695 176.300 0.054 0.000 0.965 164 D CA 2.353 56.386 54.000 0.054 0.000 0.879 164 D CB -0.027 40.782 40.800 0.014 0.000 0.921 164 D HN 0.168 8.577 8.370 0.065 0.000 0.510 165 R N -0.028 120.501 120.500 0.049 0.000 2.091 165 R HA -0.323 3.989 4.340 -0.047 0.000 0.238 165 R C 1.688 177.995 176.300 0.011 0.000 1.136 165 R CA 3.315 59.413 56.100 -0.004 0.000 0.959 165 R CB -0.107 30.186 30.300 -0.012 0.000 0.856 165 R HN -0.030 8.229 8.270 0.056 0.044 0.437 166 W N -0.160 121.095 121.300 -0.075 0.000 2.379 166 W HA -0.248 4.353 4.660 -0.099 0.000 0.307 166 W C 1.718 178.201 176.519 -0.060 0.000 1.200 166 W CA 3.218 60.521 57.345 -0.069 0.000 1.297 166 W CB -0.235 29.205 29.460 -0.033 0.000 1.140 166 W HN -0.302 7.938 8.180 0.284 0.110 0.507 167 Q N -0.896 119.070 119.800 0.277 0.000 2.002 167 Q HA -0.479 3.979 4.340 0.196 0.000 0.204 167 Q C 2.424 178.477 176.000 0.088 0.000 0.988 167 Q CA 3.730 59.629 55.803 0.160 0.000 0.843 167 Q CB -0.518 28.271 28.738 0.085 0.000 0.908 167 Q HN -0.745 7.604 8.270 0.247 0.069 0.420 168 Q N -1.144 118.680 119.800 0.040 0.000 2.084 168 Q HA -0.320 4.026 4.340 0.010 0.000 0.202 168 Q C 2.258 178.242 176.000 -0.028 0.000 0.978 168 Q CA 2.862 58.665 55.803 0.000 0.000 0.844 168 Q CB -0.112 28.615 28.738 -0.019 0.000 0.898 168 Q HN 0.096 8.392 8.270 0.043 0.000 0.426 169 A N -1.146 121.626 122.820 -0.080 0.000 1.933 169 A HA -0.328 3.911 4.320 -0.136 0.000 0.218 169 A C 1.176 178.716 177.584 -0.073 0.000 1.175 169 A CA 3.013 54.962 52.037 -0.147 0.000 0.628 169 A CB -0.734 18.063 19.000 -0.338 0.000 0.814 169 A HN -0.142 7.959 8.150 -0.081 0.000 0.444 170 S N -3.102 112.593 115.700 -0.009 0.000 2.428 170 S HA -0.183 4.298 4.470 0.018 0.000 0.230 170 S C 1.711 176.337 174.600 0.042 0.000 1.014 170 S CA 2.312 60.541 58.200 0.047 0.000 0.957 170 S CB 0.186 63.486 63.200 0.166 0.000 0.784 170 S HN -0.382 7.840 8.310 0.026 0.103 0.499 171 R N 0.365 120.885 120.500 0.033 0.000 2.056 171 R HA -0.057 4.302 4.340 0.031 0.000 0.227 171 R C 0.483 176.794 176.300 0.018 0.000 1.149 171 R CA 0.323 56.439 56.100 0.026 0.000 0.937 171 R CB 0.509 30.822 30.300 0.021 0.000 0.835 171 R HN -0.573 7.596 8.270 0.031 0.120 0.430 172 S N -3.956 111.749 115.700 0.008 0.000 3.238 172 S HA -0.319 4.153 4.470 0.003 0.000 0.635 172 S C -0.854 173.757 174.600 0.019 0.000 2.771 172 S CA 1.217 59.423 58.200 0.011 0.000 2.973 172 S CB -0.220 62.991 63.200 0.018 0.000 0.332 172 S HN 0.084 8.395 8.310 0.001 0.000 1.788 173 L N 0.889 122.129 121.223 0.029 0.000 1.848 173 L HA 0.211 4.567 4.340 0.026 0.000 0.113 173 L C -0.857 176.037 176.870 0.041 0.000 1.456 173 L CA 1.207 56.066 54.840 0.032 0.000 1.065 173 L CB 0.876 42.954 42.059 0.032 0.000 2.149 173 L HN 0.161 8.412 8.230 0.034 0.000 0.462 174 G N -1.920 106.918 108.800 0.063 0.000 2.340 174 G HA2 0.310 4.313 3.960 0.071 0.000 0.300 174 G HA3 0.310 4.297 3.960 0.045 0.000 0.300 174 G C -2.599 172.397 174.900 0.159 0.000 1.488 174 G CA 0.007 45.152 45.100 0.076 0.000 0.878 174 G HN -0.047 8.285 8.290 0.070 0.000 0.618 175 F N -0.017 119.881 119.950 -0.086 0.000 2.660 175 F HA 0.104 4.555 4.527 -0.127 0.000 0.320 175 F C -2.116 173.538 175.800 -0.243 0.000 1.099 175 F CA 0.066 57.983 58.000 -0.139 0.000 1.061 175 F CB 1.783 40.712 39.000 -0.119 0.000 1.300 175 F HN -0.265 8.076 8.300 0.067 0.000 0.479 176 E N 6.610 126.186 120.200 -1.041 0.000 2.528 176 E HA 0.339 3.988 4.350 -1.168 0.000 0.277 176 E C -2.296 173.545 176.600 -1.265 0.000 0.980 176 E CA 0.631 56.398 56.400 -1.055 0.000 0.796 176 E CB 0.805 30.183 29.700 -0.538 0.000 1.427 176 E HN 0.479 8.130 8.360 -1.182 0.000 0.394 177 A N 6.214 128.070 122.820 -1.607 0.000 2.500 177 A HA 0.110 4.022 4.320 -0.679 0.000 0.291 177 A C -1.740 175.354 177.584 -0.816 0.000 1.048 177 A CA -0.081 51.359 52.037 -0.994 0.000 0.791 177 A CB 1.255 19.794 19.000 -0.769 0.000 1.309 177 A HN 0.242 7.264 8.150 -1.879 0.000 0.397 178 W N 2.443 123.686 121.300 -0.094 0.000 2.483 178 W HA 0.188 4.842 4.660 -0.009 0.000 0.291 178 W C -0.282 176.213 176.519 -0.039 0.000 0.997 178 W CA -0.596 56.721 57.345 -0.048 0.000 1.591 178 W CB 0.961 30.379 29.460 -0.070 0.000 1.434 178 W HN 0.266 8.430 8.180 -0.027 0.000 0.420 179 Q N 3.679 123.554 119.800 0.125 0.000 2.916 179 Q HA 0.253 4.640 4.340 0.077 0.000 0.314 179 Q C -1.133 174.909 176.000 0.069 0.000 1.194 179 Q CA -0.102 55.748 55.803 0.079 0.000 1.079 179 Q CB -1.114 27.651 28.738 0.046 0.000 1.322 179 Q HN 0.198 8.527 8.270 0.099 0.000 0.500 180 L N 1.494 122.759 121.223 0.070 0.000 2.795 180 L HA 0.304 4.660 4.340 0.026 0.000 0.260 180 L C -2.048 174.827 176.870 0.009 0.000 0.935 180 L CA 0.441 55.303 54.840 0.037 0.000 0.985 180 L CB 1.567 43.651 42.059 0.042 0.000 1.433 180 L HN -0.065 8.172 8.230 0.088 0.046 0.447 181 S N 4.078 119.775 115.700 -0.006 0.000 2.548 181 S HA 0.488 4.934 4.470 -0.041 0.000 0.168 181 S C -1.233 173.354 174.600 -0.022 0.000 1.068 181 S CA -0.180 58.005 58.200 -0.026 0.000 1.129 181 S CB 1.166 64.348 63.200 -0.031 0.000 1.435 181 S HN 0.307 8.617 8.310 0.001 0.000 0.410 182 T N 1.121 115.661 114.554 -0.024 0.000 2.982 182 T HA 0.450 4.788 4.350 -0.020 0.000 0.321 182 T C -2.496 172.188 174.700 -0.027 0.000 1.229 182 T CA 0.194 62.281 62.100 -0.021 0.000 1.044 182 T CB 1.089 69.950 68.868 -0.012 0.000 1.184 182 T HN 0.083 8.306 8.240 -0.028 0.000 0.477 183 Q N 6.304 126.086 119.800 -0.030 0.000 2.567 183 Q HA 0.272 4.589 4.340 -0.039 0.000 0.233 183 Q C -2.193 173.780 176.000 -0.044 0.000 0.833 183 Q CA 0.187 55.965 55.803 -0.041 0.000 0.844 183 Q CB 1.000 29.706 28.738 -0.053 0.000 1.423 183 Q HN 0.304 8.559 8.270 -0.025 0.000 0.442 184 A N 2.825 125.624 122.820 -0.035 0.000 2.430 184 A HA 0.364 4.671 4.320 -0.021 0.000 0.300 184 A C -0.484 177.088 177.584 -0.020 0.000 1.124 184 A CA -0.347 51.679 52.037 -0.019 0.000 0.766 184 A CB 1.492 20.494 19.000 0.004 0.000 1.328 184 A HN 0.243 8.374 8.150 -0.031 0.000 0.424 185 G N -1.193 107.625 108.800 0.029 0.000 2.721 185 G HA2 -0.109 3.926 3.960 0.125 0.000 0.686 185 G HA3 -0.109 3.870 3.960 0.032 0.000 0.686 185 G C -1.206 173.703 174.900 0.016 0.000 1.236 185 G CA -0.731 44.407 45.100 0.064 0.000 0.786 185 G HN -0.131 8.200 8.290 0.069 0.000 0.616 186 H N 0.867 119.937 119.070 -0.000 0.000 2.697 186 H HA 0.379 4.936 4.556 0.001 0.000 0.270 186 H C -0.919 174.410 175.328 0.002 0.000 1.188 186 H CA -0.155 55.894 56.048 0.001 0.000 1.322 186 H CB -0.265 29.497 29.762 0.000 0.000 1.405 186 H HN 0.251 8.668 8.280 0.228 0.000 0.502 187 A N 0.000 122.851 122.820 0.052 0.000 2.254 187 A HA 0.000 4.352 4.320 0.053 0.000 0.244 187 A CA 0.000 52.060 52.037 0.039 0.000 0.836 187 A CB 0.000 19.019 19.000 0.032 0.000 0.831 187 A HN 0.000 8.146 8.150 -0.006 0.000 0.486