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 3i49_1_A DATA FIRST_RESID 15 DATA SEQUENCE LAAGAVILRR FAFNAAEQLI RDINDVASQS PFRQMVTPGG YTMSVAMTNC DATA SEQUENCE GHLGWTTHRQ GYLYSPIDPQ TNKPWPAMPQ SFHNLCQRAA TAAGYPDFQP DATA SEQUENCE DACLINRYAP GAKLSLHQDK DEPDLRAPIV SVSLGLPAIF QFGGLKRNDP DATA SEQUENCE LKRLLLEHGD VVVWGGESRL FYHGIQPLKA GFHPLTIDCR YNLTFRQAGK 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 15 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 15 L C 0.000 176.928 176.870 0.097 0.000 1.165 15 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 15 L CB 0.000 41.977 42.059 -0.137 0.000 0.961 16 A N -0.014 122.875 122.820 0.114 0.000 2.490 16 A HA 0.798 5.060 4.320 -0.097 0.000 0.292 16 A C -0.999 176.660 177.584 0.126 0.000 1.047 16 A CA -0.231 51.930 52.037 0.207 0.000 0.632 16 A CB -0.318 18.950 19.000 0.447 0.000 1.323 16 A HN 1.189 9.339 8.150 -0.000 0.000 0.448 17 A N -0.141 122.753 122.820 0.122 0.000 2.515 17 A HA 0.518 4.780 4.320 -0.097 0.000 0.263 17 A C 1.681 179.280 177.584 0.025 0.000 1.096 17 A CA 1.290 53.364 52.037 0.061 0.000 0.769 17 A CB -1.186 17.855 19.000 0.069 0.000 1.040 17 A HN 2.870 11.020 8.150 -0.000 0.000 0.505 18 G N 0.884 109.708 108.800 0.040 0.000 2.179 18 G HA2 0.173 4.075 3.960 -0.097 0.000 0.260 18 G HA3 0.173 4.075 3.960 -0.097 0.000 0.260 18 G C 0.376 175.368 174.900 0.154 0.000 0.977 18 G CA 0.511 45.667 45.100 0.093 0.000 0.641 18 G HN 2.246 10.537 8.290 -0.000 0.000 0.533 19 A N -1.270 121.607 122.820 0.095 0.000 2.380 19 A HA 1.033 5.295 4.320 -0.097 0.000 0.315 19 A C -0.423 177.165 177.584 0.007 0.000 1.101 19 A CA -0.081 52.001 52.037 0.075 0.000 0.771 19 A CB 2.696 21.721 19.000 0.041 0.000 1.287 19 A HN 1.808 9.958 8.150 -0.000 0.000 0.436 20 V N 2.003 121.899 119.914 -0.031 0.000 3.147 20 V HA 0.569 4.631 4.120 -0.097 0.000 0.299 20 V C -1.806 174.231 176.094 -0.095 0.000 1.302 20 V CA -0.585 61.681 62.300 -0.057 0.000 1.015 20 V CB 2.032 33.830 31.823 -0.042 0.000 1.086 20 V HN 0.798 8.988 8.190 -0.000 0.000 0.437 21 I N 6.054 126.570 120.570 -0.090 0.000 2.354 21 I HA 0.411 4.523 4.170 -0.097 0.000 0.286 21 I C -0.572 175.502 176.117 -0.071 0.000 1.007 21 I CA -0.471 60.769 61.300 -0.100 0.000 1.167 21 I CB 1.583 39.529 38.000 -0.090 0.000 1.320 21 I HN 0.409 8.619 8.210 -0.000 0.000 0.458 22 L N 7.200 128.368 121.223 -0.091 0.000 2.358 22 L HA 0.403 4.685 4.340 -0.097 0.000 0.274 22 L C 0.443 177.342 176.870 0.049 0.000 1.136 22 L CA -0.453 54.369 54.840 -0.031 0.000 0.970 22 L CB -0.317 41.630 42.059 -0.187 0.000 1.314 22 L HN 0.499 8.729 8.230 -0.000 0.000 0.427 23 R N 3.793 124.318 120.500 0.041 0.000 2.489 23 R HA 0.160 4.442 4.340 -0.097 0.000 0.287 23 R C 0.372 176.720 176.300 0.079 0.000 1.053 23 R CA -0.452 55.673 56.100 0.042 0.000 1.036 23 R CB 0.335 30.646 30.300 0.017 0.000 0.966 23 R HN 0.444 8.714 8.270 -0.000 0.000 0.432 24 R N 1.242 121.792 120.500 0.083 0.000 3.994 24 R HA -0.270 4.012 4.340 -0.097 0.000 0.403 24 R C 0.854 177.243 176.300 0.149 0.000 1.126 24 R CA 1.194 57.356 56.100 0.104 0.000 1.143 24 R CB -2.521 27.788 30.300 0.015 0.000 1.695 24 R HN 0.733 9.003 8.270 -0.000 0.000 0.555 25 F N 1.111 121.066 119.950 0.008 0.000 2.154 25 F HA -0.175 4.292 4.527 -0.101 0.000 0.301 25 F C 2.081 177.892 175.800 0.018 0.000 1.087 25 F CA 2.338 60.341 58.000 0.005 0.000 1.274 25 F CB 0.007 38.992 39.000 -0.025 0.000 1.009 25 F HN 0.215 8.515 8.300 -0.000 0.000 0.485 26 A N -1.159 121.772 122.820 0.185 0.000 2.379 26 A HA 0.080 4.342 4.320 -0.097 0.000 0.236 26 A C 1.539 179.124 177.584 0.001 0.000 1.272 26 A CA -0.276 51.799 52.037 0.063 0.000 0.886 26 A CB -1.460 17.570 19.000 0.049 0.000 0.962 26 A HN 0.497 8.647 8.150 -0.000 0.000 0.504 27 F N 1.537 121.439 119.950 -0.079 0.000 2.065 27 F HA -0.265 4.200 4.527 -0.104 0.000 0.298 27 F C 1.864 177.665 175.800 0.002 0.000 1.112 27 F CA 2.449 60.432 58.000 -0.029 0.000 1.212 27 F CB -0.391 38.618 39.000 0.014 0.000 0.975 27 F HN 0.414 8.714 8.300 -0.000 0.000 0.476 28 N N -0.469 118.254 118.700 0.038 0.000 2.289 28 N HA -0.106 4.576 4.740 -0.097 0.000 0.184 28 N C 1.534 176.990 175.510 -0.089 0.000 1.016 28 N CA 0.710 53.737 53.050 -0.039 0.000 0.872 28 N CB -0.243 38.250 38.487 0.010 0.000 0.973 28 N HN 0.362 8.742 8.380 -0.000 0.000 0.433 29 A N 0.411 123.183 122.820 -0.079 0.000 2.267 29 A HA 0.437 4.699 4.320 -0.097 0.000 0.213 29 A C 2.110 179.661 177.584 -0.054 0.000 1.192 29 A CA 0.344 52.352 52.037 -0.048 0.000 0.851 29 A CB -0.060 18.929 19.000 -0.018 0.000 0.881 29 A HN 0.250 8.400 8.150 -0.000 0.000 0.494 30 A N 0.790 123.542 122.820 -0.112 0.000 1.892 30 A HA -0.244 4.018 4.320 -0.097 0.000 0.218 30 A C 1.855 179.434 177.584 -0.008 0.000 1.188 30 A CA 1.879 53.862 52.037 -0.088 0.000 0.631 30 A CB -0.518 18.396 19.000 -0.143 0.000 0.822 30 A HN 0.607 8.757 8.150 -0.000 0.000 0.447 31 E N -1.341 118.843 120.200 -0.026 0.000 2.110 31 E HA -0.245 4.047 4.350 -0.097 0.000 0.193 31 E C 2.269 178.884 176.600 0.024 0.000 0.988 31 E CA 1.363 57.766 56.400 0.005 0.000 0.804 31 E CB -0.105 29.583 29.700 -0.019 0.000 0.745 31 E HN 0.694 9.054 8.360 -0.000 0.000 0.458 32 Q N 1.017 120.832 119.800 0.024 0.000 2.083 32 Q HA -0.087 4.195 4.340 -0.097 0.000 0.198 32 Q C 2.023 178.085 176.000 0.102 0.000 0.969 32 Q CA 1.154 56.988 55.803 0.052 0.000 0.838 32 Q CB -0.186 28.582 28.738 0.050 0.000 0.900 32 Q HN 0.264 8.534 8.270 -0.000 0.000 0.436 33 L N -0.259 121.029 121.223 0.108 0.000 2.042 33 L HA -0.194 4.088 4.340 -0.097 0.000 0.210 33 L C 2.336 179.310 176.870 0.175 0.000 1.076 33 L CA 1.242 56.194 54.840 0.187 0.000 0.749 33 L CB -0.481 41.584 42.059 0.009 0.000 0.893 33 L HN 0.289 8.518 8.230 -0.000 0.000 0.432 34 I N -0.837 119.771 120.570 0.063 0.000 2.315 34 I HA -0.255 3.857 4.170 -0.097 0.000 0.248 34 I C 2.763 178.894 176.117 0.023 0.000 1.117 34 I CA 1.044 62.346 61.300 0.003 0.000 1.404 34 I CB -0.287 37.727 38.000 0.024 0.000 1.071 34 I HN 0.191 8.401 8.210 -0.000 0.000 0.419 35 R N 0.613 121.142 120.500 0.050 0.000 2.081 35 R HA -0.166 4.116 4.340 -0.097 0.000 0.235 35 R C 1.709 178.029 176.300 0.033 0.000 1.131 35 R CA 1.527 57.651 56.100 0.040 0.000 0.960 35 R CB -0.285 30.037 30.300 0.037 0.000 0.856 35 R HN 0.365 8.635 8.270 -0.000 0.000 0.436 36 D N 0.354 120.792 120.400 0.062 0.000 2.269 36 D HA -0.061 4.521 4.640 -0.097 0.000 0.208 36 D C 1.834 178.117 176.300 -0.028 0.000 0.963 36 D CA 0.760 54.757 54.000 -0.005 0.000 0.864 36 D CB 0.029 40.810 40.800 -0.033 0.000 0.936 36 D HN 0.248 8.618 8.370 -0.000 0.000 0.505 37 I N 1.167 121.787 120.570 0.084 0.000 2.252 37 I HA -0.235 3.877 4.170 -0.097 0.000 0.245 37 I C 1.981 178.098 176.117 -0.001 0.000 1.102 37 I CA 0.704 62.038 61.300 0.056 0.000 1.385 37 I CB -0.109 37.851 38.000 -0.067 0.000 1.064 37 I HN -0.065 8.145 8.210 -0.000 0.000 0.414 38 N N 0.679 119.386 118.700 0.012 0.000 2.166 38 N HA -0.225 4.457 4.740 -0.097 0.000 0.186 38 N C 1.501 177.020 175.510 0.014 0.000 1.019 38 N CA 1.590 54.668 53.050 0.046 0.000 0.856 38 N CB -0.456 38.063 38.487 0.053 0.000 0.993 38 N HN 0.380 8.760 8.380 -0.000 0.000 0.426 39 D N 0.532 120.923 120.400 -0.016 0.000 2.097 39 D HA -0.063 4.519 4.640 -0.097 0.000 0.197 39 D C 1.931 178.196 176.300 -0.059 0.000 0.984 39 D CA 0.545 54.524 54.000 -0.035 0.000 0.826 39 D CB 0.054 40.823 40.800 -0.052 0.000 0.973 39 D HN -0.091 8.279 8.370 -0.000 0.000 0.460 40 V N 0.760 120.614 119.914 -0.099 0.000 2.287 40 V HA -0.230 3.832 4.120 -0.097 0.000 0.248 40 V C 2.527 178.561 176.094 -0.100 0.000 1.053 40 V CA 1.859 64.089 62.300 -0.116 0.000 1.027 40 V CB -0.921 30.799 31.823 -0.172 0.000 0.646 40 V HN 0.354 8.544 8.190 -0.000 0.000 0.447 41 A N 0.482 123.228 122.820 -0.123 0.000 2.070 41 A HA -0.180 4.082 4.320 -0.097 0.000 0.220 41 A C 2.471 180.039 177.584 -0.026 0.000 1.159 41 A CA 1.916 53.876 52.037 -0.129 0.000 0.656 41 A CB -0.611 18.352 19.000 -0.062 0.000 0.800 41 A HN 0.712 8.862 8.150 -0.000 0.000 0.453 42 S N -1.093 114.600 115.700 -0.010 0.000 2.453 42 S HA -0.176 4.236 4.470 -0.097 0.000 0.231 42 S C 1.906 176.502 174.600 -0.008 0.000 1.005 42 S CA 1.277 59.480 58.200 0.005 0.000 0.949 42 S CB -0.179 63.025 63.200 0.005 0.000 0.774 42 S HN 0.727 9.037 8.310 -0.000 0.000 0.510 43 Q N 0.462 120.250 119.800 -0.020 0.000 2.287 43 Q HA 0.264 4.546 4.340 -0.097 0.000 0.201 43 Q C -0.114 175.870 176.000 -0.027 0.000 0.946 43 Q CA 0.497 56.286 55.803 -0.024 0.000 0.868 43 Q CB 0.495 29.219 28.738 -0.023 0.000 0.967 43 Q HN 0.470 8.740 8.270 -0.000 0.000 0.516 44 S N 2.616 118.308 115.700 -0.013 0.000 2.516 44 S HA 0.425 4.837 4.470 -0.097 0.000 0.268 44 S C -2.590 172.001 174.600 -0.015 0.000 1.251 44 S CA -1.214 56.992 58.200 0.011 0.000 1.153 44 S CB 1.568 64.864 63.200 0.160 0.000 1.009 44 S HN 0.193 8.503 8.310 -0.000 0.000 0.479 45 P HA 0.075 4.495 4.420 -0.000 0.000 0.268 45 P C -0.336 176.992 177.300 0.046 0.000 1.208 45 P CA -0.133 62.985 63.100 0.029 0.000 0.777 45 P CB 0.280 32.021 31.700 0.069 0.000 0.875 46 F N 2.393 122.407 119.950 0.106 0.000 2.518 46 F HA 0.205 4.688 4.527 -0.072 0.000 0.359 46 F C 1.640 177.496 175.800 0.092 0.000 1.118 46 F CA 0.813 58.879 58.000 0.110 0.000 1.287 46 F CB 0.476 39.543 39.000 0.113 0.000 1.132 46 F HN 0.225 8.525 8.300 -0.000 0.000 0.587 47 R N 3.075 123.752 120.500 0.295 0.000 2.668 47 R HA 0.310 4.592 4.340 -0.097 0.000 0.272 47 R C -1.930 174.471 176.300 0.168 0.000 1.019 47 R CA -0.993 55.220 56.100 0.189 0.000 0.894 47 R CB 1.022 31.406 30.300 0.141 0.000 1.228 47 R HN 0.691 8.961 8.270 -0.000 0.000 0.460 48 Q N 3.129 123.001 119.800 0.119 0.000 2.361 48 Q HA 0.335 4.617 4.340 -0.097 0.000 0.250 48 Q C -0.053 176.007 176.000 0.100 0.000 1.023 48 Q CA -0.124 55.738 55.803 0.097 0.000 0.915 48 Q CB 1.310 30.088 28.738 0.067 0.000 1.238 48 Q HN 0.436 8.706 8.270 -0.000 0.000 0.451 49 M N 1.433 121.105 119.600 0.120 0.000 2.226 49 M HA 0.187 4.609 4.480 -0.097 0.000 0.324 49 M C -0.237 176.132 176.300 0.115 0.000 1.112 49 M CA -0.270 55.099 55.300 0.116 0.000 1.176 49 M CB 0.702 33.385 32.600 0.138 0.000 1.430 49 M HN 0.234 8.524 8.290 -0.000 0.000 0.462 50 V N 1.091 121.065 119.914 0.100 0.000 2.370 50 V HA 0.256 4.318 4.120 -0.097 0.000 0.283 50 V C 0.443 176.620 176.094 0.138 0.000 1.023 50 V CA -0.881 61.483 62.300 0.106 0.000 0.857 50 V CB 1.163 33.024 31.823 0.063 0.000 0.985 50 V HN 0.989 9.179 8.190 -0.000 0.000 0.443 51 T N 3.027 117.699 114.554 0.198 0.000 2.856 51 T HA 0.178 4.470 4.350 -0.097 0.000 0.306 51 T C -1.632 173.142 174.700 0.124 0.000 1.062 51 T CA -1.249 60.993 62.100 0.238 0.000 1.083 51 T CB 0.804 69.845 68.868 0.289 0.000 0.984 51 T HN 0.442 8.682 8.240 -0.000 0.000 0.542 52 P HA -0.035 4.385 4.420 -0.000 0.000 0.218 52 P C 1.597 178.900 177.300 0.005 0.000 1.146 52 P CA 1.280 64.340 63.100 -0.067 0.000 0.820 52 P CB -0.349 31.213 31.700 -0.229 0.000 0.778 53 G N -1.903 106.950 108.800 0.088 0.000 2.650 53 G HA2 0.193 4.095 3.960 -0.097 0.000 0.214 53 G HA3 0.193 4.095 3.960 -0.097 0.000 0.214 53 G C 1.069 176.093 174.900 0.206 0.000 1.136 53 G CA 0.559 45.765 45.100 0.176 0.000 0.789 53 G HN 0.431 8.721 8.290 -0.000 0.000 0.536 54 G N -1.902 106.984 108.800 0.142 0.000 2.154 54 G HA2 -0.212 3.690 3.960 -0.097 0.000 0.186 54 G HA3 -0.212 3.690 3.960 -0.097 0.000 0.186 54 G C -0.184 174.606 174.900 -0.183 0.000 1.000 54 G CA -0.213 44.863 45.100 -0.039 0.000 0.664 54 G HN 0.349 8.639 8.290 -0.000 0.000 0.513 55 Y N 1.040 121.364 120.300 0.040 0.000 2.360 55 Y HA 0.609 5.100 4.550 -0.098 0.000 0.337 55 Y C 1.001 176.934 175.900 0.055 0.000 1.039 55 Y CA -0.486 57.641 58.100 0.045 0.000 1.109 55 Y CB 1.699 40.188 38.460 0.049 0.000 1.201 55 Y HN 0.029 8.309 8.280 -0.000 0.000 0.458 56 T N 5.300 119.942 114.554 0.147 0.000 2.761 56 T HA 0.278 4.570 4.350 -0.097 0.000 0.296 56 T C 0.287 175.062 174.700 0.125 0.000 0.934 56 T CA -0.440 61.727 62.100 0.112 0.000 1.091 56 T CB -0.053 68.855 68.868 0.067 0.000 0.896 56 T HN 0.436 8.676 8.240 -0.000 0.000 0.515 57 M N 2.360 122.028 119.600 0.114 0.000 2.243 57 M HA 0.101 4.523 4.480 -0.097 0.000 0.341 57 M C 1.857 178.184 176.300 0.046 0.000 1.130 57 M CA -0.300 55.051 55.300 0.085 0.000 1.162 57 M CB 0.778 33.427 32.600 0.081 0.000 1.497 57 M HN 0.785 9.075 8.290 -0.000 0.000 0.456 58 S N 0.774 116.487 115.700 0.022 0.000 2.414 58 S HA 0.041 4.453 4.470 -0.097 0.000 0.227 58 S C 0.650 175.212 174.600 -0.064 0.000 1.022 58 S CA -0.068 58.132 58.200 -0.001 0.000 0.958 58 S CB -0.251 62.958 63.200 0.016 0.000 0.797 58 S HN 0.532 8.842 8.310 -0.000 0.000 0.493 59 V N 2.595 122.432 119.914 -0.129 0.000 2.614 59 V HA 0.612 4.674 4.120 -0.097 0.000 0.291 59 V C 0.595 176.615 176.094 -0.123 0.000 1.049 59 V CA -0.300 61.832 62.300 -0.280 0.000 1.038 59 V CB 0.552 32.092 31.823 -0.472 0.000 0.980 59 V HN 0.610 8.800 8.190 -0.000 0.000 0.481 60 A N 7.039 129.796 122.820 -0.106 0.000 2.306 60 A HA 0.900 5.162 4.320 -0.097 0.000 0.314 60 A C -0.342 177.379 177.584 0.228 0.000 1.164 60 A CA -0.526 51.550 52.037 0.063 0.000 0.822 60 A CB 0.669 19.689 19.000 0.034 0.000 1.130 60 A HN 0.837 8.987 8.150 -0.000 0.000 0.496 61 M N 0.656 120.453 119.600 0.329 0.000 2.691 61 M HA 0.701 5.123 4.480 -0.097 0.000 0.293 61 M C -0.206 176.228 176.300 0.224 0.000 1.259 61 M CA -0.467 55.031 55.300 0.329 0.000 0.827 61 M CB 2.654 35.365 32.600 0.184 0.000 1.753 61 M HN 0.744 9.034 8.290 -0.000 0.000 0.465 62 T N -0.359 114.209 114.554 0.023 0.000 2.718 62 T HA 0.512 4.804 4.350 -0.097 0.000 0.306 62 T C -2.055 172.498 174.700 -0.245 0.000 1.485 62 T CA -0.788 61.258 62.100 -0.091 0.000 0.997 62 T CB 1.691 70.368 68.868 -0.319 0.000 1.504 62 T HN 0.785 9.025 8.240 -0.000 0.000 0.497 63 N N -0.314 118.143 118.700 -0.405 0.000 2.525 63 N HA 0.725 5.407 4.740 -0.097 0.000 0.270 63 N C -1.230 174.118 175.510 -0.270 0.000 1.321 63 N CA -0.422 52.282 53.050 -0.578 0.000 0.797 63 N CB 1.993 39.653 38.487 -1.377 0.000 1.529 63 N HN 0.997 9.377 8.380 -0.000 0.000 0.491 64 C N -1.718 117.461 119.300 -0.202 0.000 3.241 64 C HA 0.984 5.386 4.460 -0.097 0.000 0.312 64 C C 0.501 175.474 174.990 -0.029 0.000 1.350 64 C CA -0.169 58.819 59.018 -0.050 0.000 1.415 64 C CB 0.872 28.554 27.740 -0.096 0.000 1.770 64 C HN 1.034 9.264 8.230 -0.000 0.000 0.466 65 G N 0.620 109.450 108.800 0.049 0.000 2.566 65 G HA2 0.105 4.007 3.960 -0.097 0.000 0.599 65 G HA3 0.105 4.007 3.960 -0.097 0.000 0.599 65 G C -0.106 174.883 174.900 0.148 0.000 1.292 65 G CA 0.881 46.034 45.100 0.089 0.000 0.922 65 G HN 1.935 10.225 8.290 -0.000 0.000 0.514 66 H N -0.397 118.708 119.070 0.059 0.000 2.357 66 H HA 0.279 4.777 4.556 -0.097 0.000 0.301 66 H C 1.288 176.697 175.328 0.136 0.000 1.082 66 H CA 2.128 58.229 56.048 0.088 0.000 1.342 66 H CB -0.076 29.715 29.762 0.048 0.000 1.389 66 H HN 0.441 8.721 8.280 -0.000 0.000 0.511 67 L N 0.064 121.246 121.223 -0.069 0.000 2.346 67 L HA 0.551 4.833 4.340 -0.097 0.000 0.274 67 L C 0.268 177.085 176.870 -0.088 0.000 1.007 67 L CA -0.657 54.137 54.840 -0.076 0.000 0.818 67 L CB 2.403 44.419 42.059 -0.071 0.000 1.284 67 L HN 0.254 8.484 8.230 -0.000 0.000 0.424 68 G N 0.416 109.132 108.800 -0.141 0.000 2.513 68 G HA2 0.375 4.277 3.960 -0.097 0.000 0.317 68 G HA3 0.375 4.277 3.960 -0.097 0.000 0.317 68 G C -2.101 172.734 174.900 -0.108 0.000 1.277 68 G CA -0.444 44.310 45.100 -0.578 0.000 0.955 68 G HN 0.578 8.868 8.290 -0.000 0.000 0.484 69 W N 3.108 124.202 121.300 -0.344 0.000 2.266 69 W HA 0.530 5.134 4.660 -0.095 0.000 0.317 69 W C 0.612 176.957 176.519 -0.290 0.000 1.310 69 W CA 0.353 57.371 57.345 -0.545 0.000 1.207 69 W CB 1.159 30.339 29.460 -0.467 0.000 1.199 69 W HN 0.718 8.898 8.180 -0.000 0.000 0.544 70 T N 1.630 115.673 114.554 -0.852 0.000 2.812 70 T HA 0.700 4.992 4.350 -0.097 0.000 0.294 70 T C -0.265 173.932 174.700 -0.838 0.000 1.159 70 T CA -0.663 61.080 62.100 -0.594 0.000 1.008 70 T CB 1.387 70.151 68.868 -0.174 0.000 1.289 70 T HN 0.506 8.746 8.240 -0.000 0.000 0.514 71 T N -1.262 113.041 114.554 -0.420 0.000 2.918 71 T HA 0.667 4.959 4.350 -0.097 0.000 0.286 71 T C -0.745 173.926 174.700 -0.050 0.000 1.026 71 T CA -0.695 61.295 62.100 -0.184 0.000 1.031 71 T CB 1.430 70.289 68.868 -0.016 0.000 1.046 71 T HN 0.959 9.199 8.240 -0.000 0.000 0.479 72 H N -0.191 118.804 119.070 -0.125 0.000 2.834 72 H HA 0.440 4.938 4.556 -0.097 0.000 0.369 72 H C 1.233 176.511 175.328 -0.084 0.000 1.174 72 H CA -1.288 54.703 56.048 -0.095 0.000 1.165 72 H CB 1.720 31.424 29.762 -0.097 0.000 1.820 72 H HN 0.638 8.918 8.280 -0.000 0.000 0.558 73 R N 0.429 120.960 120.500 0.052 0.000 2.204 73 R HA -0.209 4.073 4.340 -0.097 0.000 0.253 73 R C 0.150 176.363 176.300 -0.146 0.000 1.172 73 R CA 1.476 57.526 56.100 -0.084 0.000 0.994 73 R CB 0.020 30.239 30.300 -0.135 0.000 0.874 73 R HN 0.395 8.665 8.270 -0.000 0.000 0.462 74 Q N -0.703 118.957 119.800 -0.233 0.000 3.761 74 Q HA 0.333 4.615 4.340 -0.097 0.000 0.206 74 Q C -1.280 174.602 176.000 -0.195 0.000 0.900 74 Q CA 0.281 55.967 55.803 -0.196 0.000 0.737 74 Q CB 1.506 30.134 28.738 -0.183 0.000 1.454 74 Q HN 0.349 8.619 8.270 -0.000 0.000 0.448 75 G N 0.993 109.647 108.800 -0.243 0.000 2.465 75 G HA2 0.007 3.909 3.960 -0.097 0.000 0.681 75 G HA3 0.007 3.909 3.960 -0.097 0.000 0.681 75 G C -1.705 173.039 174.900 -0.260 0.000 1.340 75 G CA -1.043 43.883 45.100 -0.290 0.000 0.884 75 G HN 0.110 8.400 8.290 -0.000 0.000 0.650 76 Y N 1.291 121.546 120.300 -0.076 0.000 2.335 76 Y HA 0.853 5.346 4.550 -0.094 0.000 0.323 76 Y C 0.891 176.647 175.900 -0.241 0.000 1.224 76 Y CA -0.818 57.118 58.100 -0.273 0.000 1.241 76 Y CB 1.544 39.904 38.460 -0.167 0.000 1.235 76 Y HN 0.980 9.260 8.280 -0.000 0.000 0.492 77 L N -0.445 120.608 121.223 -0.282 0.000 2.869 77 L HA 0.507 4.789 4.340 -0.097 0.000 0.265 77 L C -2.291 174.370 176.870 -0.349 0.000 1.011 77 L CA -1.587 53.147 54.840 -0.176 0.000 0.913 77 L CB 0.661 42.702 42.059 -0.029 0.000 1.490 77 L HN 0.581 8.811 8.230 -0.000 0.000 0.410 78 Y N 0.515 120.810 120.300 -0.009 0.000 2.352 78 Y HA 0.725 5.216 4.550 -0.098 0.000 0.326 78 Y C 0.865 176.774 175.900 0.015 0.000 1.166 78 Y CA 0.223 58.329 58.100 0.009 0.000 1.182 78 Y CB 1.937 40.424 38.460 0.044 0.000 1.216 78 Y HN 0.807 9.087 8.280 -0.000 0.000 0.474 79 S N 2.989 118.818 115.700 0.214 0.000 2.536 79 S HA 0.387 4.799 4.470 -0.097 0.000 0.271 79 S C -2.415 172.342 174.600 0.262 0.000 1.134 79 S CA -1.653 56.650 58.200 0.171 0.000 0.897 79 S CB 1.722 64.989 63.200 0.113 0.000 1.094 79 S HN 0.434 8.744 8.310 -0.000 0.000 0.473 80 P HA 0.205 4.625 4.420 -0.000 0.000 0.241 80 P C -0.177 177.159 177.300 0.061 0.000 1.191 80 P CA 0.238 63.373 63.100 0.058 0.000 0.771 80 P CB 0.051 31.695 31.700 -0.093 0.000 0.929 81 I N 0.918 121.454 120.570 -0.057 0.000 2.404 81 I HA 0.249 4.361 4.170 -0.097 0.000 0.293 81 I C 0.271 175.992 176.117 -0.660 0.000 0.992 81 I CA -1.327 59.773 61.300 -0.333 0.000 1.149 81 I CB 1.493 39.373 38.000 -0.199 0.000 1.315 81 I HN -0.179 8.031 8.210 -0.000 0.000 0.446 82 D N 9.029 128.704 120.400 -1.208 0.000 2.358 82 D HA 0.120 4.702 4.640 -0.097 0.000 0.258 82 D C -1.539 174.396 176.300 -0.609 0.000 1.223 82 D CA -1.677 51.422 54.000 -1.501 0.000 0.886 82 D CB 1.625 41.558 40.800 -1.445 0.000 1.120 82 D HN 0.256 8.626 8.370 -0.000 0.000 0.482 83 P HA -0.143 4.277 4.420 -0.000 0.000 0.230 83 P C 1.064 178.271 177.300 -0.155 0.000 1.158 83 P CA 0.878 63.862 63.100 -0.194 0.000 0.769 83 P CB 0.505 32.136 31.700 -0.116 0.000 0.807 84 Q N 0.533 120.232 119.800 -0.170 0.000 2.134 84 Q HA -0.047 4.235 4.340 -0.097 0.000 0.195 84 Q C 2.096 178.021 176.000 -0.124 0.000 0.958 84 Q CA 1.883 57.622 55.803 -0.107 0.000 0.840 84 Q CB -0.242 28.461 28.738 -0.058 0.000 0.918 84 Q HN 0.215 8.485 8.270 -0.000 0.000 0.467 85 T N -2.873 111.572 114.554 -0.182 0.000 3.054 85 T HA 0.110 4.402 4.350 -0.097 0.000 0.259 85 T C 0.332 174.933 174.700 -0.166 0.000 1.092 85 T CA 0.714 62.719 62.100 -0.158 0.000 1.121 85 T CB -0.186 68.578 68.868 -0.173 0.000 0.912 85 T HN 0.562 8.802 8.240 -0.000 0.000 0.489 86 N N 0.287 118.858 118.700 -0.215 0.000 2.782 86 N HA -0.139 4.543 4.740 -0.097 0.000 0.251 86 N C -0.676 174.721 175.510 -0.189 0.000 1.101 86 N CA 0.891 53.827 53.050 -0.190 0.000 0.764 86 N CB -1.139 37.273 38.487 -0.125 0.000 1.122 86 N HN 0.580 8.960 8.380 -0.000 0.000 0.561 87 K N -0.419 119.837 120.400 -0.240 0.000 2.295 87 K HA 0.567 4.829 4.320 -0.097 0.000 0.239 87 K C -2.651 173.779 176.600 -0.284 0.000 0.991 87 K CA -2.109 54.057 56.287 -0.201 0.000 0.845 87 K CB 1.440 33.847 32.500 -0.155 0.000 1.197 87 K HN -0.227 8.023 8.250 -0.000 0.000 0.441 88 P HA -0.027 4.393 4.420 -0.000 0.000 0.270 88 P C -0.989 176.213 177.300 -0.163 0.000 1.223 88 P CA -0.085 62.920 63.100 -0.159 0.000 0.785 88 P CB 0.320 32.006 31.700 -0.024 0.000 0.923 89 W N 2.224 123.509 121.300 -0.026 0.000 2.126 89 W HA 0.248 4.850 4.660 -0.097 0.000 0.346 89 W C -1.756 174.743 176.519 -0.034 0.000 1.279 89 W CA -1.355 55.969 57.345 -0.035 0.000 1.259 89 W CB -1.221 28.223 29.460 -0.027 0.000 1.133 89 W HN 0.343 8.523 8.180 -0.000 0.000 0.592 90 P HA 0.091 4.511 4.420 -0.000 0.000 0.270 90 P C -0.442 176.897 177.300 0.065 0.000 1.223 90 P CA -0.107 63.038 63.100 0.075 0.000 0.785 90 P CB 0.387 32.096 31.700 0.015 0.000 0.923 91 A N 2.345 125.176 122.820 0.019 0.000 2.406 91 A HA 0.321 4.583 4.320 -0.097 0.000 0.243 91 A C 0.336 177.898 177.584 -0.037 0.000 1.082 91 A CA -0.195 51.850 52.037 0.013 0.000 0.786 91 A CB -0.413 18.585 19.000 -0.004 0.000 1.029 91 A HN 0.569 8.719 8.150 -0.000 0.000 0.495 92 M N 2.384 121.983 119.600 -0.003 0.000 2.268 92 M HA 0.276 4.698 4.480 -0.097 0.000 0.349 92 M C -2.214 174.043 176.300 -0.071 0.000 1.485 92 M CA -1.409 53.887 55.300 -0.006 0.000 1.094 92 M CB -0.188 32.487 32.600 0.125 0.000 1.843 92 M HN 0.333 8.623 8.290 -0.000 0.000 0.460 93 P HA 0.009 4.429 4.420 -0.000 0.000 0.269 93 P C -0.053 177.251 177.300 0.006 0.000 1.215 93 P CA -0.149 62.818 63.100 -0.222 0.000 0.780 93 P CB 0.497 31.871 31.700 -0.544 0.000 0.898 94 Q N 1.606 121.414 119.800 0.015 0.000 2.084 94 Q HA -0.182 4.100 4.340 -0.097 0.000 0.202 94 Q C 1.786 177.879 176.000 0.154 0.000 0.978 94 Q CA 2.232 58.071 55.803 0.059 0.000 0.844 94 Q CB -0.264 28.479 28.738 0.008 0.000 0.898 94 Q HN 0.607 8.877 8.270 -0.000 0.000 0.426 95 S N -0.356 115.450 115.700 0.176 0.000 2.370 95 S HA -0.155 4.257 4.470 -0.097 0.000 0.226 95 S C 1.691 176.503 174.600 0.352 0.000 1.033 95 S CA 1.045 59.385 58.200 0.233 0.000 1.011 95 S CB -0.666 62.682 63.200 0.246 0.000 0.852 95 S HN 0.347 8.657 8.310 -0.000 0.000 0.457 96 F N 2.431 122.461 119.950 0.134 0.000 2.075 96 F HA -0.010 4.459 4.527 -0.097 0.000 0.297 96 F C 2.845 178.671 175.800 0.043 0.000 1.113 96 F CA 1.084 59.225 58.000 0.236 0.000 1.218 96 F CB -1.368 37.856 39.000 0.374 0.000 0.984 96 F HN 0.379 8.679 8.300 -0.000 0.000 0.472 97 H N 0.701 119.888 119.070 0.195 0.000 2.319 97 H HA -0.153 4.344 4.556 -0.097 0.000 0.299 97 H C 1.849 177.127 175.328 -0.083 0.000 1.092 97 H CA 1.977 58.020 56.048 -0.008 0.000 1.302 97 H CB -0.331 29.439 29.762 0.013 0.000 1.373 97 H HN 0.139 8.419 8.280 -0.000 0.000 0.497 98 N N 1.237 120.046 118.700 0.182 0.000 2.084 98 N HA -0.136 4.546 4.740 -0.097 0.000 0.190 98 N C 2.287 177.791 175.510 -0.010 0.000 1.030 98 N CA 0.719 53.831 53.050 0.104 0.000 0.849 98 N CB -0.613 37.945 38.487 0.118 0.000 1.012 98 N HN 0.323 8.703 8.380 -0.000 0.000 0.423 99 L N 0.967 122.181 121.223 -0.015 0.000 2.017 99 L HA -0.134 4.148 4.340 -0.097 0.000 0.208 99 L C 2.469 179.260 176.870 -0.132 0.000 1.073 99 L CA 1.545 56.377 54.840 -0.012 0.000 0.745 99 L CB -1.162 40.898 42.059 0.002 0.000 0.894 99 L HN 0.254 8.485 8.230 -0.000 0.000 0.432 100 C N 0.268 119.308 119.300 -0.434 0.000 2.413 100 C HA -0.244 4.158 4.460 -0.097 0.000 0.276 100 C C 2.959 177.748 174.990 -0.336 0.000 1.236 100 C CA 1.663 60.285 59.018 -0.660 0.000 1.735 100 C CB -0.848 26.049 27.740 -1.406 0.000 2.031 100 C HN 0.704 8.934 8.230 -0.000 0.000 0.474 101 Q N -0.073 119.533 119.800 -0.323 0.000 2.061 101 Q HA -0.226 4.056 4.340 -0.097 0.000 0.204 101 Q C 2.514 178.478 176.000 -0.060 0.000 0.984 101 Q CA 1.776 57.462 55.803 -0.195 0.000 0.846 101 Q CB -0.231 28.375 28.738 -0.222 0.000 0.902 101 Q HN 0.696 8.966 8.270 -0.000 0.000 0.421 102 R N -0.182 120.320 120.500 0.003 0.000 2.073 102 R HA -0.123 4.159 4.340 -0.097 0.000 0.234 102 R C 2.392 178.755 176.300 0.106 0.000 1.134 102 R CA 1.210 57.390 56.100 0.134 0.000 0.952 102 R CB -0.440 30.007 30.300 0.245 0.000 0.850 102 R HN 0.316 8.586 8.270 -0.000 0.000 0.433 103 A N 1.404 124.188 122.820 -0.059 0.000 1.877 103 A HA -0.130 4.132 4.320 -0.097 0.000 0.216 103 A C 2.415 179.811 177.584 -0.313 0.000 1.186 103 A CA 1.727 53.445 52.037 -0.532 0.000 0.620 103 A CB -0.754 17.954 19.000 -0.486 0.000 0.822 103 A HN 0.404 8.554 8.150 -0.000 0.000 0.443 104 A N -0.987 121.743 122.820 -0.151 0.000 1.883 104 A HA -0.130 4.132 4.320 -0.097 0.000 0.217 104 A C 2.326 179.919 177.584 0.015 0.000 1.186 104 A CA 2.460 54.467 52.037 -0.049 0.000 0.624 104 A CB -1.406 17.658 19.000 0.106 0.000 0.822 104 A HN 0.442 8.592 8.150 -0.000 0.000 0.444 105 T N 0.293 114.849 114.554 0.005 0.000 2.708 105 T HA -0.047 4.245 4.350 -0.097 0.000 0.266 105 T C 2.183 176.875 174.700 -0.013 0.000 1.037 105 T CA 1.694 63.801 62.100 0.012 0.000 1.146 105 T CB -0.479 68.404 68.868 0.025 0.000 0.865 105 T HN 0.618 8.858 8.240 -0.000 0.000 0.435 106 A N 1.078 123.878 122.820 -0.034 0.000 2.019 106 A HA 0.240 4.502 4.320 -0.097 0.000 0.219 106 A C 2.379 179.914 177.584 -0.081 0.000 1.164 106 A CA 1.568 53.580 52.037 -0.043 0.000 0.644 106 A CB -0.672 18.294 19.000 -0.058 0.000 0.805 106 A HN 0.508 8.658 8.150 -0.000 0.000 0.449 107 A N -2.032 120.735 122.820 -0.088 0.000 2.251 107 A HA 0.435 4.697 4.320 -0.097 0.000 0.209 107 A C 1.610 179.165 177.584 -0.049 0.000 1.187 107 A CA 1.123 53.141 52.037 -0.032 0.000 0.823 107 A CB -0.633 18.374 19.000 0.012 0.000 0.846 107 A HN 1.825 9.975 8.150 -0.000 0.000 0.486 108 G N -2.191 106.536 108.800 -0.121 0.000 2.131 108 G HA2 -0.226 3.676 3.960 -0.097 0.000 0.201 108 G HA3 -0.226 3.676 3.960 -0.097 0.000 0.201 108 G C -0.251 174.318 174.900 -0.551 0.000 1.000 108 G CA 0.148 45.053 45.100 -0.324 0.000 0.680 108 G HN 0.494 8.784 8.290 -0.000 0.000 0.514 109 Y N -0.162 120.084 120.300 -0.091 0.000 2.584 109 Y HA 0.376 4.868 4.550 -0.096 0.000 0.358 109 Y C -1.140 174.745 175.900 -0.025 0.000 1.028 109 Y CA -1.663 56.390 58.100 -0.078 0.000 1.148 109 Y CB 1.548 39.910 38.460 -0.163 0.000 1.126 109 Y HN 0.098 8.378 8.280 -0.000 0.000 0.658 110 P HA -0.143 4.277 4.420 -0.000 0.000 0.223 110 P C 0.616 177.956 177.300 0.068 0.000 1.151 110 P CA 1.439 64.569 63.100 0.051 0.000 0.787 110 P CB 0.609 32.316 31.700 0.011 0.000 0.788 111 D N -1.701 118.756 120.400 0.095 0.000 2.424 111 D HA 0.045 4.627 4.640 -0.097 0.000 0.220 111 D C -0.195 176.181 176.300 0.126 0.000 1.150 111 D CA -0.727 53.322 54.000 0.082 0.000 0.831 111 D CB -0.566 40.271 40.800 0.062 0.000 0.981 111 D HN -0.153 8.217 8.370 -0.000 0.000 0.500 112 F N 1.876 121.812 119.950 -0.022 0.000 2.571 112 F HA 0.240 4.708 4.527 -0.099 0.000 0.384 112 F C -0.238 175.507 175.800 -0.092 0.000 1.058 112 F CA 0.058 58.020 58.000 -0.063 0.000 1.200 112 F CB 0.486 39.424 39.000 -0.103 0.000 1.077 112 F HN -0.079 8.221 8.300 -0.000 0.000 0.558 113 Q N 8.721 128.236 119.800 -0.476 0.000 2.558 113 Q HA 0.286 4.568 4.340 -0.097 0.000 0.252 113 Q C -2.487 173.122 176.000 -0.652 0.000 1.015 113 Q CA -1.903 53.601 55.803 -0.499 0.000 0.720 113 Q CB 1.220 29.842 28.738 -0.193 0.000 1.215 113 Q HN 0.464 8.734 8.270 -0.000 0.000 0.500 114 P HA 0.103 4.523 4.420 -0.000 0.000 0.271 114 P C -0.236 176.949 177.300 -0.191 0.000 1.218 114 P CA -0.068 62.690 63.100 -0.570 0.000 0.780 114 P CB 1.041 32.462 31.700 -0.466 0.000 0.901 115 D N 0.134 120.485 120.400 -0.081 0.000 2.513 115 D HA 0.443 5.025 4.640 -0.097 0.000 0.222 115 D C -0.210 176.109 176.300 0.032 0.000 1.210 115 D CA -0.560 53.445 54.000 0.009 0.000 0.825 115 D CB 0.268 41.088 40.800 0.032 0.000 1.037 115 D HN 0.425 8.795 8.370 -0.000 0.000 0.506 116 A N -0.501 122.330 122.820 0.018 0.000 2.540 116 A HA 0.605 4.867 4.320 -0.097 0.000 0.297 116 A C -1.600 175.988 177.584 0.006 0.000 1.056 116 A CA -0.837 51.201 52.037 0.001 0.000 0.700 116 A CB 1.420 20.395 19.000 -0.042 0.000 1.280 116 A HN 0.322 8.472 8.150 -0.000 0.000 0.398 117 C N 3.439 122.695 119.300 -0.074 0.000 2.432 117 C HA 0.708 5.110 4.460 -0.097 0.000 0.334 117 C C -1.169 173.691 174.990 -0.217 0.000 1.155 117 C CA -0.566 58.311 59.018 -0.236 0.000 1.335 117 C CB 0.066 27.641 27.740 -0.275 0.000 1.964 117 C HN 1.141 9.371 8.230 -0.000 0.000 0.444 118 L N 7.820 128.915 121.223 -0.213 0.000 2.264 118 L HA 0.658 4.940 4.340 -0.097 0.000 0.289 118 L C -0.426 176.370 176.870 -0.123 0.000 1.044 118 L CA 0.076 54.822 54.840 -0.156 0.000 0.807 118 L CB 0.720 42.702 42.059 -0.127 0.000 1.192 118 L HN 0.623 8.853 8.230 -0.000 0.000 0.425 119 I N 5.693 126.235 120.570 -0.047 0.000 2.312 119 I HA 0.345 4.457 4.170 -0.097 0.000 0.290 119 I C -0.398 175.882 176.117 0.272 0.000 1.008 119 I CA -0.497 60.860 61.300 0.096 0.000 1.226 119 I CB 0.758 38.820 38.000 0.103 0.000 1.371 119 I HN 0.585 8.795 8.210 -0.000 0.000 0.468 120 N N 6.616 125.478 118.700 0.270 0.000 2.399 120 N HA 0.425 5.107 4.740 -0.097 0.000 0.295 120 N C -0.732 174.925 175.510 0.245 0.000 1.048 120 N CA -0.623 52.554 53.050 0.212 0.000 0.886 120 N CB 2.550 41.096 38.487 0.098 0.000 1.185 120 N HN 0.531 8.911 8.380 -0.000 0.000 0.487 121 R N 2.206 122.688 120.500 -0.030 0.000 2.439 121 R HA 0.308 4.590 4.340 -0.097 0.000 0.310 121 R C -1.368 174.745 176.300 -0.313 0.000 0.955 121 R CA -0.505 55.438 56.100 -0.262 0.000 0.853 121 R CB 0.542 30.392 30.300 -0.750 0.000 1.171 121 R HN 0.452 8.722 8.270 -0.000 0.000 0.449 122 Y N 2.652 122.813 120.300 -0.232 0.000 2.342 122 Y HA 0.451 4.934 4.550 -0.111 0.000 0.338 122 Y C 0.574 176.368 175.900 -0.177 0.000 0.965 122 Y CA -0.417 57.595 58.100 -0.146 0.000 1.159 122 Y CB 1.846 40.253 38.460 -0.088 0.000 1.157 122 Y HN 0.668 8.948 8.280 -0.000 0.000 0.486 123 A N 5.275 128.080 122.820 -0.024 0.000 2.257 123 A HA 0.659 4.921 4.320 -0.097 0.000 0.289 123 A C -2.603 174.993 177.584 0.020 0.000 1.095 123 A CA -2.011 50.004 52.037 -0.036 0.000 0.836 123 A CB 0.053 19.026 19.000 -0.044 0.000 1.111 123 A HN 0.497 8.647 8.150 -0.000 0.000 0.497 124 P HA 0.231 4.651 4.420 -0.000 0.000 0.262 124 P C 0.953 178.277 177.300 0.040 0.000 1.182 124 P CA 2.132 65.250 63.100 0.030 0.000 0.761 124 P CB 0.539 32.255 31.700 0.027 0.000 0.795 125 G N 1.950 110.781 108.800 0.051 0.000 2.253 125 G HA2 -0.233 3.669 3.960 -0.097 0.000 0.251 125 G HA3 -0.233 3.669 3.960 -0.097 0.000 0.251 125 G C 0.511 175.455 174.900 0.074 0.000 0.998 125 G CA 0.041 45.173 45.100 0.054 0.000 0.621 125 G HN 0.851 9.141 8.290 -0.000 0.000 0.524 126 A N 0.324 123.201 122.820 0.095 0.000 2.425 126 A HA 0.660 4.922 4.320 -0.097 0.000 0.242 126 A C 0.536 178.247 177.584 0.213 0.000 1.077 126 A CA 1.335 53.440 52.037 0.113 0.000 0.781 126 A CB 0.335 19.376 19.000 0.068 0.000 1.020 126 A HN 1.542 9.692 8.150 -0.000 0.000 0.494 127 K N -0.318 120.190 120.400 0.180 0.000 2.548 127 K HA 0.752 5.014 4.320 -0.097 0.000 0.282 127 K C -1.999 174.724 176.600 0.204 0.000 1.006 127 K CA -0.885 55.544 56.287 0.237 0.000 0.892 127 K CB 1.279 33.862 32.500 0.138 0.000 1.499 127 K HN 0.448 8.698 8.250 -0.000 0.000 0.433 128 L N 1.615 122.990 121.223 0.252 0.000 2.415 128 L HA 0.367 4.649 4.340 -0.097 0.000 0.268 128 L C -1.050 175.922 176.870 0.170 0.000 0.984 128 L CA -0.002 54.949 54.840 0.185 0.000 0.853 128 L CB 1.779 44.005 42.059 0.278 0.000 1.215 128 L HN 0.813 9.043 8.230 -0.000 0.000 0.419 129 S N 3.428 119.195 115.700 0.113 0.000 2.566 129 S HA 0.228 4.640 4.470 -0.097 0.000 0.280 129 S C 0.036 174.733 174.600 0.161 0.000 1.343 129 S CA -0.406 57.854 58.200 0.100 0.000 1.036 129 S CB 0.405 63.642 63.200 0.062 0.000 0.866 129 S HN 0.569 8.879 8.310 -0.000 0.000 0.526 130 L N 4.847 126.116 121.223 0.077 0.000 2.615 130 L HA 0.042 4.324 4.340 -0.097 0.000 0.284 130 L C 0.476 177.447 176.870 0.168 0.000 1.237 130 L CA 1.358 56.220 54.840 0.036 0.000 0.905 130 L CB -0.343 41.701 42.059 -0.025 0.000 1.149 130 L HN 0.838 9.068 8.230 -0.000 0.000 0.499 131 H N 2.719 121.751 119.070 -0.064 0.000 2.932 131 H HA 0.452 4.949 4.556 -0.099 0.000 0.307 131 H C -1.571 173.493 175.328 -0.440 0.000 1.391 131 H CA -1.123 54.861 56.048 -0.107 0.000 1.130 131 H CB 0.942 30.625 29.762 -0.133 0.000 1.836 131 H HN 0.610 8.890 8.280 -0.000 0.000 0.522 132 Q N 0.288 119.860 119.800 -0.380 0.000 2.306 132 Q HA 0.272 4.554 4.340 -0.097 0.000 0.265 132 Q C -1.215 174.855 176.000 0.117 0.000 1.022 132 Q CA -0.958 54.660 55.803 -0.309 0.000 0.853 132 Q CB 2.004 30.469 28.738 -0.454 0.000 1.327 132 Q HN 0.437 8.707 8.270 -0.000 0.000 0.449 133 D N 2.195 122.768 120.400 0.288 0.000 2.494 133 D HA 0.067 4.649 4.640 -0.097 0.000 0.217 133 D C -0.043 176.383 176.300 0.210 0.000 1.153 133 D CA 0.069 54.243 54.000 0.291 0.000 0.954 133 D CB 0.312 41.304 40.800 0.321 0.000 1.034 133 D HN 0.352 8.722 8.370 -0.000 0.000 0.518 134 K N 0.200 120.723 120.400 0.205 0.000 2.618 134 K HA 0.224 4.486 4.320 -0.097 0.000 0.207 134 K C -0.324 176.419 176.600 0.238 0.000 1.058 134 K CA -0.416 55.982 56.287 0.184 0.000 1.086 134 K CB 0.728 33.308 32.500 0.134 0.000 0.827 134 K HN -0.116 8.134 8.250 -0.000 0.000 0.481 135 D N 1.561 122.155 120.400 0.324 0.000 2.395 135 D HA 0.047 4.629 4.640 -0.097 0.000 0.213 135 D C -0.729 175.826 176.300 0.426 0.000 1.110 135 D CA 0.288 54.531 54.000 0.406 0.000 0.835 135 D CB 0.667 41.784 40.800 0.528 0.000 0.965 135 D HN 0.332 8.702 8.370 -0.000 0.000 0.505 136 E N 0.468 120.837 120.200 0.281 0.000 2.145 136 E HA 0.262 4.554 4.350 -0.097 0.000 0.270 136 E C -1.663 174.999 176.600 0.103 0.000 0.906 136 E CA -1.704 54.785 56.400 0.149 0.000 0.761 136 E CB 1.786 31.533 29.700 0.078 0.000 1.116 136 E HN -0.177 8.183 8.360 -0.000 0.000 0.408 137 P HA -0.150 4.270 4.420 -0.000 0.000 0.214 137 P C -0.072 177.259 177.300 0.052 0.000 1.163 137 P CA 1.006 64.147 63.100 0.068 0.000 0.883 137 P CB 0.212 31.947 31.700 0.058 0.000 0.788 138 D N -0.259 120.164 120.400 0.039 0.000 2.374 138 D HA 0.046 4.628 4.640 -0.097 0.000 0.240 138 D C 0.894 177.212 176.300 0.029 0.000 1.229 138 D CA 0.082 54.103 54.000 0.035 0.000 0.895 138 D CB -0.078 40.743 40.800 0.034 0.000 1.046 138 D HN -0.004 8.366 8.370 -0.000 0.000 0.498 139 L N 3.311 124.552 121.223 0.031 0.000 2.610 139 L HA 0.058 4.340 4.340 -0.097 0.000 0.232 139 L C 2.154 179.028 176.870 0.006 0.000 1.149 139 L CA 0.227 55.079 54.840 0.019 0.000 0.872 139 L CB -0.016 42.063 42.059 0.034 0.000 0.992 139 L HN 0.230 8.460 8.230 -0.000 0.000 0.447 140 R N 0.507 121.019 120.500 0.021 0.000 2.193 140 R HA 0.110 4.392 4.340 -0.097 0.000 0.213 140 R C 0.965 177.274 176.300 0.014 0.000 1.055 140 R CA 0.401 56.523 56.100 0.036 0.000 0.995 140 R CB -0.022 30.308 30.300 0.051 0.000 0.893 140 R HN 0.213 8.483 8.270 -0.000 0.000 0.459 141 A N 3.095 125.905 122.820 -0.017 0.000 2.328 141 A HA 0.330 4.593 4.320 -0.097 0.000 0.284 141 A C -2.110 175.252 177.584 -0.371 0.000 1.160 141 A CA -1.557 50.435 52.037 -0.076 0.000 0.818 141 A CB 0.269 19.343 19.000 0.124 0.000 1.087 141 A HN -0.033 8.117 8.150 -0.000 0.000 0.504 142 P HA 0.384 4.804 4.420 -0.000 0.000 0.282 142 P C -0.748 175.914 177.300 -1.063 0.000 1.287 142 P CA -0.358 62.094 63.100 -1.081 0.000 0.792 142 P CB 0.856 31.513 31.700 -1.737 0.000 1.163 143 I N 0.524 120.452 120.570 -1.069 0.000 2.354 143 I HA 0.234 4.346 4.170 -0.097 0.000 0.292 143 I C -0.022 175.515 176.117 -0.967 0.000 0.989 143 I CA -0.829 59.857 61.300 -1.023 0.000 1.188 143 I CB 1.389 38.459 38.000 -1.552 0.000 1.342 143 I HN 0.026 8.236 8.210 -0.000 0.000 0.457 144 V N 5.326 124.915 119.914 -0.542 0.000 2.357 144 V HA 0.324 4.386 4.120 -0.097 0.000 0.284 144 V C 0.247 176.252 176.094 -0.149 0.000 1.018 144 V CA -0.390 61.720 62.300 -0.316 0.000 0.841 144 V CB 1.610 33.374 31.823 -0.099 0.000 0.991 144 V HN 0.805 8.995 8.190 -0.000 0.000 0.437 145 S N 4.636 120.205 115.700 -0.219 0.000 2.566 145 S HA 0.632 5.044 4.470 -0.097 0.000 0.324 145 S C -0.644 173.901 174.600 -0.090 0.000 1.081 145 S CA -0.439 57.683 58.200 -0.130 0.000 1.105 145 S CB 1.079 64.217 63.200 -0.102 0.000 0.981 145 S HN 0.457 8.767 8.310 -0.000 0.000 0.464 146 V N 4.797 124.682 119.914 -0.048 0.000 2.394 146 V HA 0.474 4.536 4.120 -0.097 0.000 0.282 146 V C 0.252 176.303 176.094 -0.072 0.000 1.031 146 V CA -0.590 61.677 62.300 -0.054 0.000 0.881 146 V CB 1.618 33.428 31.823 -0.021 0.000 0.982 146 V HN 0.846 9.036 8.190 -0.000 0.000 0.451 147 S N 5.907 121.553 115.700 -0.091 0.000 2.508 147 S HA 0.795 5.207 4.470 -0.097 0.000 0.284 147 S C -0.511 174.026 174.600 -0.106 0.000 1.192 147 S CA -0.461 57.687 58.200 -0.087 0.000 1.070 147 S CB 0.791 63.929 63.200 -0.103 0.000 1.004 147 S HN 0.517 8.827 8.310 -0.000 0.000 0.493 148 L N 2.175 123.372 121.223 -0.042 0.000 2.455 148 L HA 0.724 5.006 4.340 -0.097 0.000 0.264 148 L C 0.630 177.524 176.870 0.041 0.000 0.968 148 L CA -0.463 54.373 54.840 -0.007 0.000 0.827 148 L CB 1.805 43.903 42.059 0.064 0.000 1.317 148 L HN 0.927 9.157 8.230 -0.000 0.000 0.407 149 G N 2.113 110.911 108.800 -0.003 0.000 2.496 149 G HA2 -0.212 3.690 3.960 -0.097 0.000 0.243 149 G HA3 -0.212 3.690 3.960 -0.097 0.000 0.243 149 G C -0.385 174.338 174.900 -0.295 0.000 1.176 149 G CA -0.595 44.202 45.100 -0.505 0.000 0.940 149 G HN 0.494 8.784 8.290 -0.000 0.000 0.573 150 L N 3.551 124.692 121.223 -0.137 0.000 2.506 150 L HA 0.275 4.557 4.340 -0.097 0.000 0.281 150 L C -1.123 175.733 176.870 -0.024 0.000 1.228 150 L CA -0.968 53.859 54.840 -0.023 0.000 0.850 150 L CB 0.251 42.290 42.059 -0.034 0.000 1.110 150 L HN 0.505 8.735 8.230 -0.000 0.000 0.496 151 P HA 0.291 4.711 4.420 -0.000 0.000 0.274 151 P C -1.228 176.052 177.300 -0.033 0.000 1.231 151 P CA -0.343 62.759 63.100 0.003 0.000 0.790 151 P CB 1.615 33.335 31.700 0.034 0.000 0.951 152 A N 2.740 125.531 122.820 -0.047 0.000 2.556 152 A HA 0.643 4.905 4.320 -0.097 0.000 0.294 152 A C -0.913 176.671 177.584 0.000 0.000 1.091 152 A CA -0.707 51.295 52.037 -0.059 0.000 0.704 152 A CB 1.190 20.089 19.000 -0.169 0.000 1.300 152 A HN 0.361 8.511 8.150 -0.000 0.000 0.406 153 I N 1.549 122.133 120.570 0.024 0.000 2.315 153 I HA 0.284 4.396 4.170 -0.097 0.000 0.291 153 I C -0.780 175.415 176.117 0.130 0.000 1.006 153 I CA -0.187 61.153 61.300 0.065 0.000 1.265 153 I CB 0.612 38.635 38.000 0.039 0.000 1.387 153 I HN 0.596 8.806 8.210 -0.000 0.000 0.475 154 F N 6.758 126.697 119.950 -0.019 0.000 2.410 154 F HA 0.361 4.830 4.527 -0.097 0.000 0.349 154 F C 0.234 176.052 175.800 0.030 0.000 1.117 154 F CA -0.420 57.581 58.000 0.002 0.000 1.104 154 F CB 0.841 39.828 39.000 -0.021 0.000 1.122 154 F HN 0.434 8.734 8.300 -0.000 0.000 0.483 155 Q N 5.863 125.414 119.800 -0.415 0.000 2.257 155 Q HA 0.350 4.632 4.340 -0.097 0.000 0.255 155 Q C -1.634 174.001 176.000 -0.608 0.000 0.920 155 Q CA -0.530 55.054 55.803 -0.365 0.000 0.927 155 Q CB 2.075 30.682 28.738 -0.218 0.000 1.229 155 Q HN 0.632 8.902 8.270 -0.000 0.000 0.433 156 F N 1.513 121.139 119.950 -0.541 0.000 2.539 156 F HA 0.579 5.047 4.527 -0.097 0.000 0.328 156 F C 0.089 175.747 175.800 -0.237 0.000 1.148 156 F CA -0.443 57.276 58.000 -0.468 0.000 0.940 156 F CB 1.178 39.968 39.000 -0.349 0.000 1.194 156 F HN 0.590 8.890 8.300 -0.000 0.000 0.438 157 G N 2.433 110.910 108.800 -0.539 0.000 3.310 157 G HA2 0.631 4.533 3.960 -0.097 0.000 0.176 157 G HA3 0.631 4.533 3.960 -0.097 0.000 0.176 157 G C -0.143 174.349 174.900 -0.679 0.000 1.307 157 G CA -0.088 44.749 45.100 -0.438 0.000 0.935 157 G HN 0.934 9.224 8.290 -0.000 0.000 0.628 158 G N -1.764 106.641 108.800 -0.657 0.000 3.251 158 G HA2 0.444 4.346 3.960 -0.097 0.000 0.248 158 G HA3 0.444 4.346 3.960 -0.097 0.000 0.248 158 G C 0.605 175.113 174.900 -0.654 0.000 1.320 158 G CA -0.580 43.859 45.100 -1.102 0.000 0.982 158 G HN 0.374 8.664 8.290 -0.000 0.000 0.575 159 L N -0.566 120.355 121.223 -0.503 0.000 2.217 159 L HA 0.142 4.424 4.340 -0.097 0.000 0.211 159 L C 1.033 177.984 176.870 0.135 0.000 1.107 159 L CA 0.969 55.789 54.840 -0.034 0.000 0.783 159 L CB -0.220 41.864 42.059 0.041 0.000 0.919 159 L HN 0.184 8.414 8.230 -0.000 0.000 0.442 160 K N -0.157 120.251 120.400 0.013 0.000 2.159 160 K HA 0.185 4.447 4.320 -0.097 0.000 0.266 160 K C 0.705 177.140 176.600 -0.276 0.000 0.975 160 K CA -0.500 55.782 56.287 -0.008 0.000 0.865 160 K CB 1.868 34.322 32.500 -0.077 0.000 1.087 160 K HN -0.109 8.141 8.250 -0.000 0.000 0.446 161 R N 1.936 122.113 120.500 -0.538 0.000 2.174 161 R HA -0.218 4.064 4.340 -0.097 0.000 0.253 161 R C 0.588 176.491 176.300 -0.662 0.000 1.165 161 R CA 1.751 57.141 56.100 -1.183 0.000 0.984 161 R CB 0.074 29.985 30.300 -0.648 0.000 0.873 161 R HN 0.565 8.835 8.270 -0.000 0.000 0.456 162 N N 0.661 119.136 118.700 -0.374 0.000 2.280 162 N HA -0.007 4.675 4.740 -0.097 0.000 0.192 162 N C -0.674 174.701 175.510 -0.224 0.000 1.109 162 N CA 0.121 53.015 53.050 -0.260 0.000 0.855 162 N CB 0.244 38.625 38.487 -0.176 0.000 0.974 162 N HN 0.176 8.556 8.380 -0.000 0.000 0.482 163 D N 2.204 122.453 120.400 -0.250 0.000 2.400 163 D HA 0.122 4.704 4.640 -0.097 0.000 0.238 163 D C -1.988 174.186 176.300 -0.209 0.000 1.157 163 D CA -0.741 53.126 54.000 -0.221 0.000 0.889 163 D CB 0.115 40.755 40.800 -0.266 0.000 1.199 163 D HN 0.026 8.396 8.370 -0.000 0.000 0.436 164 P HA 0.058 4.478 4.420 -0.000 0.000 0.266 164 P C -0.531 176.677 177.300 -0.153 0.000 1.193 164 P CA 0.221 63.238 63.100 -0.138 0.000 0.770 164 P CB 0.496 32.133 31.700 -0.106 0.000 0.836 165 L N 2.688 123.836 121.223 -0.125 0.000 2.334 165 L HA 0.469 4.751 4.340 -0.097 0.000 0.276 165 L C 0.573 177.400 176.870 -0.071 0.000 1.014 165 L CA -0.790 53.977 54.840 -0.122 0.000 0.815 165 L CB 1.542 43.523 42.059 -0.129 0.000 1.268 165 L HN 0.221 8.451 8.230 -0.000 0.000 0.428 166 K N 2.432 122.806 120.400 -0.043 0.000 2.164 166 K HA 0.576 4.838 4.320 -0.097 0.000 0.258 166 K C -0.841 175.755 176.600 -0.006 0.000 0.951 166 K CA -0.816 55.472 56.287 0.003 0.000 0.844 166 K CB 1.983 34.522 32.500 0.066 0.000 1.099 166 K HN 0.466 8.716 8.250 -0.000 0.000 0.435 167 R N 2.827 123.331 120.500 0.006 0.000 2.360 167 R HA 0.438 4.720 4.340 -0.097 0.000 0.318 167 R C -0.934 175.394 176.300 0.046 0.000 0.950 167 R CA -0.572 55.536 56.100 0.013 0.000 0.837 167 R CB 0.813 31.115 30.300 0.003 0.000 1.165 167 R HN 0.368 8.638 8.270 -0.000 0.000 0.458 168 L N 3.858 125.135 121.223 0.090 0.000 2.385 168 L HA 0.444 4.726 4.340 -0.097 0.000 0.273 168 L C -0.685 176.248 176.870 0.105 0.000 0.990 168 L CA -1.156 53.744 54.840 0.101 0.000 0.821 168 L CB 1.899 44.039 42.059 0.135 0.000 1.279 168 L HN 0.343 8.573 8.230 -0.000 0.000 0.412 169 L N 4.072 125.330 121.223 0.059 0.000 2.367 169 L HA 0.374 4.656 4.340 -0.097 0.000 0.275 169 L C -0.802 176.084 176.870 0.026 0.000 1.129 169 L CA 0.455 55.321 54.840 0.043 0.000 0.839 169 L CB 0.469 42.546 42.059 0.030 0.000 1.133 169 L HN 0.440 8.670 8.230 -0.000 0.000 0.453 170 L N 5.812 127.040 121.223 0.009 0.000 2.325 170 L HA 0.515 4.797 4.340 -0.097 0.000 0.281 170 L C -0.160 176.699 176.870 -0.018 0.000 1.004 170 L CA -0.476 54.342 54.840 -0.036 0.000 0.823 170 L CB 1.451 43.447 42.059 -0.105 0.000 1.236 170 L HN 0.675 8.905 8.230 -0.000 0.000 0.415 171 E N 1.046 121.250 120.200 0.006 0.000 2.264 171 E HA 0.256 4.548 4.350 -0.097 0.000 0.260 171 E C -0.530 176.119 176.600 0.081 0.000 0.961 171 E CA -0.951 55.484 56.400 0.058 0.000 0.834 171 E CB 1.563 31.314 29.700 0.085 0.000 1.230 171 E HN 0.452 8.812 8.360 -0.000 0.000 0.412 172 H N 0.346 119.443 119.070 0.044 0.000 3.192 172 H HA -0.103 4.391 4.556 -0.104 0.000 0.295 172 H C 0.831 176.234 175.328 0.126 0.000 0.943 172 H CA 2.041 58.114 56.048 0.042 0.000 1.416 172 H CB 0.070 29.887 29.762 0.093 0.000 1.434 172 H HN 0.832 9.112 8.280 -0.000 0.000 0.565 173 G N 4.631 113.221 108.800 -0.350 0.000 2.213 173 G HA2 -0.243 3.659 3.960 -0.097 0.000 0.236 173 G HA3 -0.243 3.659 3.960 -0.097 0.000 0.236 173 G C -0.050 174.842 174.900 -0.015 0.000 0.991 173 G CA 0.174 45.173 45.100 -0.167 0.000 0.629 173 G HN 0.655 8.945 8.290 -0.000 0.000 0.517 174 D N 0.475 120.862 120.400 -0.021 0.000 2.414 174 D HA 0.477 5.059 4.640 -0.097 0.000 0.242 174 D C 0.321 176.591 176.300 -0.050 0.000 1.129 174 D CA 0.333 54.323 54.000 -0.017 0.000 0.885 174 D CB 1.788 42.560 40.800 -0.046 0.000 1.198 174 D HN 0.244 8.614 8.370 -0.000 0.000 0.437 175 V N 2.706 122.588 119.914 -0.053 0.000 2.483 175 V HA 0.289 4.351 4.120 -0.097 0.000 0.297 175 V C -0.005 175.991 176.094 -0.164 0.000 1.027 175 V CA -0.837 61.395 62.300 -0.114 0.000 0.855 175 V CB 1.988 33.724 31.823 -0.145 0.000 0.995 175 V HN 0.230 8.420 8.190 -0.000 0.000 0.424 176 V N 5.546 125.356 119.914 -0.173 0.000 2.435 176 V HA 0.615 4.677 4.120 -0.097 0.000 0.290 176 V C -0.270 175.761 176.094 -0.104 0.000 1.030 176 V CA -0.554 61.659 62.300 -0.145 0.000 0.881 176 V CB 1.921 33.614 31.823 -0.217 0.000 0.983 176 V HN 0.605 8.795 8.190 -0.000 0.000 0.445 177 V N 4.565 124.427 119.914 -0.087 0.000 2.531 177 V HA 0.639 4.701 4.120 -0.097 0.000 0.301 177 V C -0.960 175.128 176.094 -0.011 0.000 1.034 177 V CA -0.601 61.580 62.300 -0.198 0.000 0.865 177 V CB 1.716 33.386 31.823 -0.254 0.000 0.995 177 V HN 1.056 9.246 8.190 -0.000 0.000 0.424 178 W N 3.114 124.228 121.300 -0.311 0.000 3.032 178 W HA 0.971 5.570 4.660 -0.103 0.000 0.335 178 W C -0.126 176.196 176.519 -0.328 0.000 1.154 178 W CA -0.417 56.794 57.345 -0.223 0.000 1.204 178 W CB 1.679 31.106 29.460 -0.054 0.000 1.416 178 W HN 0.920 9.100 8.180 -0.000 0.000 0.521 179 G N 0.175 108.958 108.800 -0.027 0.000 2.427 179 G HA2 0.593 4.495 3.960 -0.097 0.000 0.306 179 G HA3 0.593 4.495 3.960 -0.097 0.000 0.306 179 G C 0.224 175.161 174.900 0.061 0.000 1.280 179 G CA 0.076 45.090 45.100 -0.143 0.000 0.837 179 G HN 1.951 10.241 8.290 -0.000 0.000 0.482 180 G N -0.092 108.761 108.800 0.089 0.000 2.591 180 G HA2 -0.342 3.560 3.960 -0.097 0.000 0.298 180 G HA3 -0.342 3.560 3.960 -0.097 0.000 0.298 180 G C 1.178 176.077 174.900 -0.002 0.000 1.195 180 G CA 1.565 46.712 45.100 0.079 0.000 0.989 180 G HN 1.260 9.550 8.290 -0.000 0.000 0.551 181 E N 0.621 120.805 120.200 -0.027 0.000 2.204 181 E HA -0.054 4.238 4.350 -0.097 0.000 0.195 181 E C 2.519 178.916 176.600 -0.339 0.000 0.990 181 E CA 1.868 58.228 56.400 -0.067 0.000 0.821 181 E CB -0.198 29.498 29.700 -0.007 0.000 0.750 181 E HN 0.651 9.011 8.360 -0.000 0.000 0.477 182 S N -0.580 114.788 115.700 -0.554 0.000 2.557 182 S HA 0.133 4.545 4.470 -0.097 0.000 0.223 182 S C 1.425 175.775 174.600 -0.416 0.000 0.969 182 S CA -0.257 57.148 58.200 -1.325 0.000 0.927 182 S CB 0.447 63.099 63.200 -0.912 0.000 0.806 182 S HN 0.053 8.363 8.310 -0.000 0.000 0.489 183 R N 2.093 122.540 120.500 -0.089 0.000 2.117 183 R HA 0.087 4.369 4.340 -0.097 0.000 0.243 183 R C 1.337 177.761 176.300 0.207 0.000 1.143 183 R CA 1.630 57.796 56.100 0.110 0.000 0.968 183 R CB -0.886 29.418 30.300 0.007 0.000 0.863 183 R HN 0.555 8.825 8.270 -0.000 0.000 0.444 184 L N 0.085 121.395 121.223 0.144 0.000 2.741 184 L HA 0.289 4.571 4.340 -0.097 0.000 0.237 184 L C -0.064 176.931 176.870 0.210 0.000 1.178 184 L CA -0.650 54.292 54.840 0.170 0.000 0.973 184 L CB -0.071 42.062 42.059 0.123 0.000 1.255 184 L HN 0.035 8.265 8.230 -0.000 0.000 0.498 185 F N -0.518 119.374 119.950 -0.097 0.000 2.506 185 F HA 0.021 4.490 4.527 -0.098 0.000 0.351 185 F C 0.673 176.278 175.800 -0.325 0.000 1.136 185 F CA -0.787 57.026 58.000 -0.310 0.000 1.298 185 F CB 0.381 38.964 39.000 -0.694 0.000 1.145 185 F HN -0.090 8.210 8.300 -0.000 0.000 0.593 186 Y N 2.500 122.669 120.300 -0.219 0.000 2.397 186 Y HA 0.124 4.615 4.550 -0.098 0.000 0.335 186 Y C 0.686 176.339 175.900 -0.412 0.000 1.213 186 Y CA 0.162 58.084 58.100 -0.297 0.000 1.391 186 Y CB 0.358 38.644 38.460 -0.290 0.000 1.293 186 Y HN 0.401 8.681 8.280 -0.000 0.000 0.557 187 H N -0.128 118.718 119.070 -0.373 0.000 3.003 187 H HA 0.780 5.276 4.556 -0.099 0.000 0.327 187 H C -0.907 174.210 175.328 -0.352 0.000 1.353 187 H CA -1.036 54.719 56.048 -0.489 0.000 1.142 187 H CB 1.391 30.831 29.762 -0.538 0.000 1.864 187 H HN 0.804 9.084 8.280 -0.000 0.000 0.529 188 G N 0.053 108.714 108.800 -0.232 0.000 2.488 188 G HA2 0.440 4.342 3.960 -0.097 0.000 0.301 188 G HA3 0.440 4.342 3.960 -0.097 0.000 0.301 188 G C -1.935 173.038 174.900 0.122 0.000 1.339 188 G CA -0.737 44.375 45.100 0.020 0.000 0.803 188 G HN 0.444 8.734 8.290 -0.000 0.000 0.482 189 I N 1.067 121.758 120.570 0.202 0.000 2.466 189 I HA 0.322 4.434 4.170 -0.097 0.000 0.289 189 I C 0.156 176.346 176.117 0.123 0.000 1.026 189 I CA -0.493 60.913 61.300 0.178 0.000 1.078 189 I CB 1.546 39.647 38.000 0.169 0.000 1.249 189 I HN 0.569 8.779 8.210 -0.000 0.000 0.429 190 Q N 6.014 125.856 119.800 0.070 0.000 2.368 190 Q HA 0.265 4.547 4.340 -0.097 0.000 0.237 190 Q C -2.195 173.843 176.000 0.064 0.000 0.987 190 Q CA -1.537 54.298 55.803 0.054 0.000 0.896 190 Q CB 0.174 28.930 28.738 0.030 0.000 1.241 190 Q HN 0.288 8.558 8.270 -0.000 0.000 0.485 191 P HA -0.141 4.279 4.420 -0.000 0.000 0.257 191 P C -0.841 176.491 177.300 0.054 0.000 1.162 191 P CA 0.202 63.344 63.100 0.070 0.000 0.762 191 P CB 0.183 31.913 31.700 0.051 0.000 0.753 192 L N 5.125 126.390 121.223 0.069 0.000 2.534 192 L HA 0.013 4.295 4.340 -0.097 0.000 0.271 192 L C 0.603 177.492 176.870 0.031 0.000 1.178 192 L CA 0.633 55.493 54.840 0.034 0.000 0.907 192 L CB -0.289 41.801 42.059 0.052 0.000 1.164 192 L HN 0.254 8.484 8.230 -0.000 0.000 0.482 193 K N 4.271 124.684 120.400 0.020 0.000 2.258 193 K HA 0.431 4.693 4.320 -0.097 0.000 0.264 193 K C 0.109 176.727 176.600 0.030 0.000 1.007 193 K CA -0.183 56.119 56.287 0.025 0.000 0.941 193 K CB 0.536 33.050 32.500 0.024 0.000 0.966 193 K HN 0.805 9.055 8.250 -0.000 0.000 0.480 194 A N 1.320 124.161 122.820 0.034 0.000 2.466 194 A HA 0.529 4.791 4.320 -0.097 0.000 0.238 194 A C 0.528 178.145 177.584 0.055 0.000 1.074 194 A CA 0.733 52.796 52.037 0.042 0.000 0.774 194 A CB 0.186 19.210 19.000 0.040 0.000 1.015 194 A HN 0.820 8.970 8.150 -0.000 0.000 0.498 195 G N -0.949 107.897 108.800 0.077 0.000 2.317 195 G HA2 0.489 4.391 3.960 -0.097 0.000 0.293 195 G HA3 0.489 4.391 3.960 -0.097 0.000 0.293 195 G C -1.509 173.501 174.900 0.183 0.000 1.287 195 G CA -0.229 44.938 45.100 0.111 0.000 0.850 195 G HN 1.555 9.845 8.290 -0.000 0.000 0.515 196 F N 0.678 120.647 119.950 0.032 0.000 2.578 196 F HA 0.791 5.330 4.527 0.020 0.000 0.311 196 F C -1.064 174.772 175.800 0.060 0.000 1.094 196 F CA -0.777 57.246 58.000 0.038 0.000 0.923 196 F CB 2.356 41.363 39.000 0.012 0.000 1.230 196 F HN 0.694 8.994 8.300 -0.000 0.000 0.450 197 H N 6.444 124.837 119.070 -1.128 0.000 2.759 197 H HA 0.366 4.831 4.556 -0.152 0.000 0.354 197 H C -2.479 172.135 175.328 -1.189 0.000 1.074 197 H CA -2.053 53.486 56.048 -0.848 0.000 1.226 197 H CB 2.886 32.403 29.762 -0.409 0.000 1.648 197 H HN 0.337 8.617 8.280 -0.000 0.000 0.529 198 P HA -0.110 4.310 4.420 -0.000 0.000 0.217 198 P C 1.278 178.527 177.300 -0.086 0.000 1.148 198 P CA 1.250 64.152 63.100 -0.331 0.000 0.828 198 P CB 0.396 31.967 31.700 -0.215 0.000 0.783 199 L N -2.466 118.825 121.223 0.114 0.000 2.513 199 L HA 0.129 4.411 4.340 -0.097 0.000 0.222 199 L C 1.670 178.596 176.870 0.093 0.000 1.096 199 L CA 1.337 56.237 54.840 0.101 0.000 0.857 199 L CB -0.577 41.534 42.059 0.086 0.000 1.026 199 L HN 0.093 8.323 8.230 -0.000 0.000 0.469 200 T N -4.875 109.708 114.554 0.049 0.000 3.004 200 T HA 0.245 4.537 4.350 -0.097 0.000 0.266 200 T C 1.253 175.944 174.700 -0.015 0.000 0.986 200 T CA -0.226 61.914 62.100 0.066 0.000 0.902 200 T CB 0.977 69.847 68.868 0.003 0.000 1.118 200 T HN -0.051 8.188 8.240 -0.000 0.000 0.522 201 I N 2.292 122.785 120.570 -0.128 0.000 4.856 201 I HA -0.324 3.788 4.170 -0.097 0.000 0.039 201 I C 0.697 176.792 176.117 -0.037 0.000 0.634 201 I CA 2.529 63.781 61.300 -0.081 0.000 0.417 201 I CB -1.977 36.096 38.000 0.122 0.000 0.446 201 I HN 0.637 8.847 8.210 -0.000 0.000 0.151 202 D N 1.419 121.825 120.400 0.010 0.000 2.513 202 D HA 0.360 4.942 4.640 -0.097 0.000 0.222 202 D C 0.366 176.629 176.300 -0.062 0.000 1.210 202 D CA 0.355 54.366 54.000 0.019 0.000 0.825 202 D CB -0.122 40.709 40.800 0.053 0.000 1.037 202 D HN 0.741 9.111 8.370 -0.000 0.000 0.506 203 C N -1.067 118.140 119.300 -0.154 0.000 3.259 203 C HA 0.842 5.244 4.460 -0.097 0.000 0.328 203 C C -0.693 174.122 174.990 -0.292 0.000 1.425 203 C CA -1.314 57.554 59.018 -0.250 0.000 1.465 203 C CB 1.764 29.235 27.740 -0.449 0.000 1.890 203 C HN 0.244 8.474 8.230 -0.000 0.000 0.450 204 R N 0.235 120.573 120.500 -0.269 0.000 2.599 204 R HA 0.675 4.957 4.340 -0.097 0.000 0.295 204 R C -1.990 174.206 176.300 -0.173 0.000 0.963 204 R CA -0.295 55.693 56.100 -0.186 0.000 0.883 204 R CB 1.195 31.408 30.300 -0.145 0.000 1.171 204 R HN 0.858 9.128 8.270 -0.000 0.000 0.450 205 Y N 1.778 122.105 120.300 0.045 0.000 2.487 205 Y HA 0.407 4.936 4.550 -0.035 0.000 0.337 205 Y C 0.218 176.164 175.900 0.076 0.000 1.076 205 Y CA -0.744 57.411 58.100 0.092 0.000 1.115 205 Y CB 2.141 40.642 38.460 0.068 0.000 1.235 205 Y HN 0.562 8.842 8.280 -0.000 0.000 0.468 206 N N 2.528 121.410 118.700 0.303 0.000 2.287 206 N HA 0.403 5.085 4.740 -0.097 0.000 0.289 206 N C -2.248 173.295 175.510 0.055 0.000 1.066 206 N CA -0.405 52.734 53.050 0.147 0.000 0.841 206 N CB 1.544 40.150 38.487 0.197 0.000 1.599 206 N HN 0.705 9.085 8.380 -0.000 0.000 0.476 207 L N 2.243 123.413 121.223 -0.089 0.000 2.305 207 L HA 0.420 4.702 4.340 -0.097 0.000 0.284 207 L C -0.204 176.471 176.870 -0.325 0.000 1.013 207 L CA -0.567 54.092 54.840 -0.301 0.000 0.819 207 L CB 1.885 43.636 42.059 -0.513 0.000 1.227 207 L HN 0.454 8.684 8.230 -0.000 0.000 0.417 208 T N 3.187 117.525 114.554 -0.360 0.000 2.842 208 T HA 0.492 4.784 4.350 -0.097 0.000 0.308 208 T C -0.415 174.094 174.700 -0.317 0.000 1.041 208 T CA -0.292 61.655 62.100 -0.256 0.000 0.964 208 T CB 0.180 68.965 68.868 -0.137 0.000 0.972 208 T HN 0.081 8.321 8.240 -0.000 0.000 0.460 209 F N 3.242 123.153 119.950 -0.064 0.000 2.404 209 F HA 0.622 5.091 4.527 -0.097 0.000 0.345 209 F C 1.202 177.059 175.800 0.095 0.000 1.110 209 F CA -0.722 57.294 58.000 0.026 0.000 1.130 209 F CB 0.978 40.028 39.000 0.082 0.000 1.129 209 F HN 0.230 8.530 8.300 -0.000 0.000 0.500 210 R N 1.053 121.713 120.500 0.267 0.000 2.764 210 R HA 0.335 4.617 4.340 -0.097 0.000 0.270 210 R C -1.406 174.973 176.300 0.132 0.000 1.014 210 R CA -1.196 55.033 56.100 0.216 0.000 0.904 210 R CB 2.115 32.445 30.300 0.049 0.000 1.236 210 R HN 0.565 8.835 8.270 -0.000 0.000 0.466 211 Q N 1.044 120.927 119.800 0.138 0.000 2.466 211 Q HA 0.365 4.647 4.340 -0.097 0.000 0.242 211 Q C -0.404 175.543 176.000 -0.087 0.000 1.046 211 Q CA -0.155 55.660 55.803 0.020 0.000 0.841 211 Q CB 1.534 30.334 28.738 0.103 0.000 1.193 211 Q HN 0.853 9.123 8.270 -0.000 0.000 0.508 212 A N 3.190 125.862 122.820 -0.247 0.000 2.081 212 A HA 0.294 4.556 4.320 -0.097 0.000 0.214 212 A C 0.855 178.284 177.584 -0.258 0.000 1.158 212 A CA 0.875 52.612 52.037 -0.500 0.000 0.724 212 A CB 0.237 18.441 19.000 -1.328 0.000 0.826 212 A HN 0.724 8.874 8.150 -0.000 0.000 0.463 213 G N -0.546 108.181 108.800 -0.122 0.000 2.857 213 G HA2 0.498 4.400 3.960 -0.097 0.000 0.217 213 G HA3 0.498 4.400 3.960 -0.097 0.000 0.217 213 G C -0.160 174.739 174.900 -0.001 0.000 1.357 213 G CA -0.670 44.414 45.100 -0.025 0.000 1.033 213 G HN 0.301 8.591 8.290 -0.000 0.000 0.571 214 K N 0.000 120.412 120.400 0.020 0.000 2.780 214 K HA 0.000 4.262 4.320 -0.097 0.000 0.191 214 K CA 0.000 56.299 56.287 0.020 0.000 0.838 214 K CB 0.000 32.515 32.500 0.025 0.000 1.064 214 K HN 0.000 8.250 8.250 -0.000 0.000 0.543