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 2kil_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGIIFNVLE DMVVAQCGMS VWNELLEKHA PKDRVYVSAK SYAESELFSI DATA SEQUENCE VQDVAQRLNM PIQDVVKAFG QFLFNGLASR HTDVVDKFDD FTSLVMGIHD DATA SEQUENCE VIGLEVNKLY HEPSLPHING QLLPNNQIAL RYSSPRRLCF CAEGLLFGAA DATA SEQUENCE QHFQQKIQIS HDTCMHTGAD HCMLIIELQN D 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 4.515 4.480 0.058 0.000 0.227 1 M C 0.000 176.365 176.300 0.109 0.000 1.140 1 M CA 0.000 55.339 55.300 0.065 0.000 0.988 1 M CB 0.000 32.637 32.600 0.062 0.000 1.302 2 K N -2.303 118.179 120.400 0.136 0.000 5.829 2 K HA -0.414 4.094 4.320 0.209 -0.063 0.459 2 K C -0.475 176.263 176.600 0.229 0.000 1.139 2 K CA 0.491 56.894 56.287 0.193 0.000 1.349 2 K CB -1.991 30.638 32.500 0.216 0.000 1.801 2 K HN 0.276 8.595 8.250 0.114 0.000 0.385 3 G N 0.915 109.850 108.800 0.226 0.000 3.265 3 G HA2 -0.340 3.893 3.960 0.314 0.000 0.488 3 G HA3 -0.340 3.878 3.960 0.429 0.000 0.488 3 G C 0.422 175.504 174.900 0.303 0.000 0.742 3 G CA -0.358 44.938 45.100 0.327 0.000 0.841 3 G HN -0.130 8.232 8.290 0.205 0.051 0.457 4 I N 4.670 125.368 120.570 0.214 0.000 2.194 4 I HA -0.389 3.820 4.170 0.065 0.000 0.246 4 I C 0.549 176.680 176.117 0.023 0.000 1.093 4 I CA 2.357 63.708 61.300 0.084 0.000 1.355 4 I CB 0.100 38.116 38.000 0.027 0.000 1.046 4 I HN 0.560 8.922 8.210 0.254 0.000 0.413 5 I N -3.576 117.002 120.570 0.013 0.000 2.142 5 I HA -0.464 3.592 4.170 -0.191 0.000 0.240 5 I C 1.699 177.675 176.117 -0.234 0.000 1.078 5 I CA 3.469 64.659 61.300 -0.183 0.000 1.343 5 I CB -1.154 36.634 38.000 -0.353 0.000 1.046 5 I HN 0.179 8.442 8.210 0.099 0.007 0.405 6 F N -2.536 117.411 119.950 -0.005 0.000 2.365 6 F HA -0.247 4.287 4.527 0.012 0.000 0.300 6 F C 1.812 177.558 175.800 -0.089 0.000 1.090 6 F CA 3.066 61.081 58.000 0.026 0.000 1.408 6 F CB -0.617 38.485 39.000 0.170 0.000 1.060 6 F HN -0.377 8.213 8.300 0.485 0.000 0.534 7 N N 1.102 119.858 118.700 0.094 0.000 2.080 7 N HA -0.187 4.603 4.740 -0.029 -0.067 0.189 7 N C 2.120 177.530 175.510 -0.167 0.000 1.036 7 N CA 2.956 55.990 53.050 -0.027 0.000 0.846 7 N CB -0.259 38.240 38.487 0.019 0.000 1.015 7 N HN 0.489 8.714 8.380 0.155 0.248 0.423 8 V N -0.511 119.309 119.914 -0.157 0.000 2.407 8 V HA -0.350 3.673 4.120 -0.161 0.000 0.248 8 V C 1.883 177.764 176.094 -0.355 0.000 1.055 8 V CA 4.194 66.378 62.300 -0.193 0.000 1.049 8 V CB -0.634 31.116 31.823 -0.120 0.000 0.662 8 V HN -0.182 7.942 8.190 -0.110 0.000 0.455 9 L N 0.001 120.954 121.223 -0.450 0.000 2.072 9 L HA -0.264 3.544 4.340 -0.886 0.000 0.205 9 L C 1.261 177.641 176.870 -0.817 0.000 1.079 9 L CA 3.164 57.573 54.840 -0.718 0.000 0.752 9 L CB -0.512 41.142 42.059 -0.676 0.000 0.906 9 L HN -0.429 7.579 8.230 -0.348 0.014 0.436 10 E N -0.055 119.604 120.200 -0.902 0.000 2.070 10 E HA -0.552 2.291 4.350 -2.512 0.000 0.197 10 E C 1.779 177.852 176.600 -0.877 0.000 1.004 10 E CA 3.615 59.155 56.400 -1.433 0.000 0.805 10 E CB -0.322 28.723 29.700 -1.092 0.000 0.744 10 E HN 0.235 8.027 8.360 -0.629 0.191 0.451 11 D N -0.617 119.450 120.400 -0.555 0.000 2.097 11 D HA -0.262 4.182 4.640 -0.327 0.000 0.195 11 D C 2.235 178.299 176.300 -0.394 0.000 0.989 11 D CA 2.757 56.530 54.000 -0.378 0.000 0.827 11 D CB -0.051 40.594 40.800 -0.258 0.000 0.966 11 D HN -0.535 7.538 8.370 -0.495 0.000 0.456 12 M N -0.183 119.111 119.600 -0.509 0.000 2.106 12 M HA -0.332 3.812 4.480 -0.560 0.000 0.259 12 M C 2.220 178.272 176.300 -0.414 0.000 1.068 12 M CA 2.744 57.692 55.300 -0.586 0.000 1.100 12 M CB -0.123 31.951 32.600 -0.876 0.000 1.351 12 M HN -0.601 7.295 8.290 -0.547 0.066 0.404 13 V N -1.654 118.013 119.914 -0.412 0.000 2.427 13 V HA -0.447 3.599 4.120 -0.125 0.000 0.248 13 V C 1.784 177.792 176.094 -0.142 0.000 1.051 13 V CA 4.176 66.352 62.300 -0.207 0.000 1.048 13 V CB -0.882 30.872 31.823 -0.115 0.000 0.666 13 V HN 0.135 7.985 8.190 -0.559 0.004 0.456 14 V N -0.032 119.753 119.914 -0.216 0.000 2.720 14 V HA -0.460 3.700 4.120 -0.063 -0.078 0.256 14 V C 1.942 177.981 176.094 -0.090 0.000 1.082 14 V CA 4.277 66.499 62.300 -0.128 0.000 1.101 14 V CB -0.746 30.980 31.823 -0.162 0.000 0.693 14 V HN -0.109 7.783 8.190 -0.340 0.094 0.479 15 A N -1.109 121.638 122.820 -0.121 0.000 1.984 15 A HA -0.085 4.200 4.320 -0.058 0.000 0.214 15 A C 1.011 178.564 177.584 -0.051 0.000 1.173 15 A CA 2.330 54.317 52.037 -0.083 0.000 0.673 15 A CB -0.250 18.685 19.000 -0.108 0.000 0.830 15 A HN -0.338 7.543 8.150 -0.180 0.161 0.453 16 Q N -1.221 118.545 119.800 -0.058 0.000 1.940 16 Q HA -0.105 4.231 4.340 -0.007 0.000 0.200 16 Q C 1.605 177.610 176.000 0.008 0.000 0.977 16 Q CA 1.920 57.713 55.803 -0.016 0.000 0.841 16 Q CB 0.679 29.412 28.738 -0.008 0.000 0.901 16 Q HN -0.198 7.919 8.270 -0.095 0.096 0.446 17 C N -3.101 116.213 119.300 0.024 0.000 2.634 17 C HA 0.085 4.568 4.460 0.038 0.000 0.268 17 C C 0.003 175.021 174.990 0.046 0.000 1.322 17 C CA 0.695 59.739 59.018 0.044 0.000 1.737 17 C CB 1.535 29.318 27.740 0.071 0.000 1.976 17 C HN -0.312 7.931 8.230 0.021 0.000 0.547 18 G N -0.908 107.913 108.800 0.035 0.000 2.603 18 G HA2 -0.264 3.854 3.960 0.007 0.000 0.686 18 G HA3 -0.264 3.719 3.960 0.040 0.000 0.686 18 G C -0.844 174.106 174.900 0.082 0.000 1.286 18 G CA -0.589 44.532 45.100 0.036 0.000 0.871 18 G HN -0.093 8.080 8.290 0.016 0.126 0.568 19 M N 0.805 120.451 119.600 0.077 0.000 2.296 19 M HA -0.283 4.312 4.480 0.190 0.000 0.265 19 M C 1.120 177.532 176.300 0.186 0.000 1.064 19 M CA 3.595 58.983 55.300 0.146 0.000 1.109 19 M CB 0.065 32.722 32.600 0.094 0.000 1.396 19 M HN 0.569 8.887 8.290 0.045 0.000 0.430 20 S N -0.606 115.163 115.700 0.115 0.000 2.368 20 S HA -0.287 4.232 4.470 0.082 0.000 0.225 20 S C 1.910 176.568 174.600 0.096 0.000 1.030 20 S CA 3.289 61.543 58.200 0.090 0.000 0.999 20 S CB -0.991 62.244 63.200 0.059 0.000 0.844 20 S HN 0.053 8.391 8.310 0.088 0.025 0.459 21 V N 2.447 122.432 119.914 0.118 0.000 2.488 21 V HA -0.197 4.205 4.120 0.076 -0.236 0.246 21 V C 1.224 177.413 176.094 0.158 0.000 1.046 21 V CA 2.637 65.005 62.300 0.114 0.000 1.053 21 V CB -0.164 31.725 31.823 0.110 0.000 0.679 21 V HN -0.794 7.468 8.190 0.121 0.000 0.458 22 W N 0.491 121.803 121.300 0.019 0.000 2.318 22 W HA -0.561 4.115 4.660 0.027 0.000 0.313 22 W C 1.269 177.811 176.519 0.037 0.000 1.221 22 W CA 3.778 61.137 57.345 0.022 0.000 1.266 22 W CB -0.099 29.363 29.460 0.004 0.000 1.150 22 W HN -0.464 7.920 8.180 0.340 0.000 0.496 23 N N -1.802 116.868 118.700 -0.049 0.000 2.331 23 N HA -0.331 4.211 4.740 -0.331 0.000 0.180 23 N C 2.109 177.539 175.510 -0.133 0.000 1.019 23 N CA 3.313 56.268 53.050 -0.158 0.000 0.881 23 N CB -0.149 38.335 38.487 -0.005 0.000 0.972 23 N HN -0.238 8.236 8.380 0.163 0.004 0.435 24 E N 1.048 121.213 120.200 -0.058 0.000 2.028 24 E HA -0.333 3.994 4.350 -0.037 0.000 0.191 24 E C 2.214 178.786 176.600 -0.046 0.000 0.988 24 E CA 3.032 59.410 56.400 -0.035 0.000 0.799 24 E CB 0.161 29.865 29.700 0.006 0.000 0.755 24 E HN -0.630 7.584 8.360 -0.010 0.140 0.447 25 L N -2.683 118.518 121.223 -0.038 0.000 2.341 25 L HA 0.012 4.407 4.340 0.092 0.000 0.214 25 L C 1.139 177.999 176.870 -0.016 0.000 1.115 25 L CA 2.084 56.947 54.840 0.038 0.000 0.820 25 L CB -1.079 41.029 42.059 0.080 0.000 0.944 25 L HN -0.297 7.909 8.230 -0.040 0.000 0.452 26 L N -0.134 120.934 121.223 -0.257 0.000 2.007 26 L HA -0.248 3.909 4.340 -0.306 0.000 0.205 26 L C 1.872 178.630 176.870 -0.187 0.000 1.073 26 L CA 3.298 57.915 54.840 -0.371 0.000 0.744 26 L CB 0.182 41.738 42.059 -0.838 0.000 0.898 26 L HN -0.408 7.601 8.230 -0.316 0.031 0.435 27 E N -1.709 118.386 120.200 -0.175 0.000 2.265 27 E HA -0.274 4.103 4.350 -0.101 -0.088 0.196 27 E C 0.777 177.320 176.600 -0.095 0.000 0.996 27 E CA 2.283 58.616 56.400 -0.111 0.000 0.832 27 E CB 0.025 29.670 29.700 -0.092 0.000 0.756 27 E HN -0.200 7.918 8.360 -0.210 0.116 0.491 28 K N -3.096 117.241 120.400 -0.105 0.000 2.137 28 K HA -0.164 4.067 4.320 -0.148 0.000 0.202 28 K C 1.188 177.629 176.600 -0.266 0.000 1.052 28 K CA 1.972 58.157 56.287 -0.170 0.000 0.961 28 K CB 0.297 32.693 32.500 -0.173 0.000 0.741 28 K HN -0.695 7.360 8.250 -0.093 0.140 0.452 29 H N -2.236 116.796 119.070 -0.064 0.000 2.292 29 H HA -0.001 4.543 4.556 -0.020 0.000 0.325 29 H C -0.083 175.218 175.328 -0.044 0.000 1.119 29 H CA 1.084 57.108 56.048 -0.040 0.000 1.617 29 H CB 1.465 31.210 29.762 -0.029 0.000 1.502 29 H HN -0.428 7.673 8.280 0.022 0.193 0.615 30 A N 0.137 123.005 122.820 0.079 0.000 2.429 30 A HA 0.099 4.444 4.320 0.042 0.000 0.242 30 A C -2.241 175.335 177.584 -0.014 0.000 1.088 30 A CA -1.474 50.571 52.037 0.014 0.000 0.784 30 A CB -0.424 18.549 19.000 -0.045 0.000 1.038 30 A HN -0.012 8.190 8.150 0.086 0.000 0.501 31 P HA 0.056 4.462 4.420 -0.023 0.000 0.275 31 P C -0.471 176.805 177.300 -0.040 0.000 1.227 31 P CA -0.351 62.738 63.100 -0.017 0.000 0.781 31 P CB 1.156 32.853 31.700 -0.004 0.000 0.906 32 K N 0.336 120.708 120.400 -0.048 0.000 2.356 32 K HA -0.068 4.221 4.320 -0.052 0.000 0.195 32 K C -0.018 176.551 176.600 -0.052 0.000 1.037 32 K CA 1.482 57.739 56.287 -0.050 0.000 1.014 32 K CB -0.277 32.195 32.500 -0.047 0.000 0.815 32 K HN 0.162 8.385 8.250 -0.044 0.000 0.507 33 D N -2.079 118.285 120.400 -0.059 0.000 2.290 33 D HA -0.153 4.452 4.640 -0.059 0.000 0.224 33 D C -0.374 175.861 176.300 -0.109 0.000 0.967 33 D CA 0.486 54.445 54.000 -0.068 0.000 0.893 33 D CB -0.737 40.029 40.800 -0.058 0.000 1.037 33 D HN -0.129 8.172 8.370 -0.054 0.037 0.477 34 R N 1.083 121.499 120.500 -0.140 0.000 2.489 34 R HA 0.017 4.201 4.340 -0.260 0.000 0.287 34 R C -1.115 174.963 176.300 -0.370 0.000 1.053 34 R CA 0.017 55.956 56.100 -0.269 0.000 1.036 34 R CB 0.565 30.698 30.300 -0.278 0.000 0.966 34 R HN -0.197 8.010 8.270 -0.104 0.000 0.432 35 V N 2.917 122.557 119.914 -0.457 0.000 2.588 35 V HA 0.177 4.140 4.120 -0.261 0.000 0.304 35 V C -1.051 174.729 176.094 -0.523 0.000 1.042 35 V CA -0.818 61.264 62.300 -0.364 0.000 0.877 35 V CB 1.569 33.297 31.823 -0.158 0.000 0.996 35 V HN 0.076 8.011 8.190 -0.424 0.000 0.425 36 Y N 3.169 123.448 120.300 -0.035 0.000 2.618 36 Y HA 0.360 4.883 4.550 -0.045 0.000 0.326 36 Y C -0.552 175.344 175.900 -0.007 0.000 1.168 36 Y CA -1.880 56.196 58.100 -0.040 0.000 1.269 36 Y CB 2.062 40.475 38.460 -0.078 0.000 1.388 36 Y HN -0.017 8.264 8.280 0.003 0.000 0.528 37 V N -4.691 115.339 119.914 0.194 0.000 3.126 37 V HA 0.390 4.575 4.120 0.109 0.000 0.314 37 V C 0.299 176.472 176.094 0.131 0.000 1.138 37 V CA -2.615 59.757 62.300 0.121 0.000 1.034 37 V CB 3.407 35.276 31.823 0.077 0.000 1.075 37 V HN -0.073 8.257 8.190 0.234 0.000 0.442 38 S N 1.777 117.543 115.700 0.110 0.000 2.954 38 S HA -0.002 4.561 4.470 0.157 0.001 0.234 38 S C -0.888 173.784 174.600 0.119 0.000 0.978 38 S CA 1.687 59.958 58.200 0.119 0.000 1.045 38 S CB -1.762 61.486 63.200 0.081 0.000 0.807 38 S HN 0.476 8.840 8.310 0.090 0.000 0.508 39 A N -2.018 120.862 122.820 0.100 0.000 2.710 39 A HA 0.104 4.484 4.320 0.101 0.000 0.212 39 A C -0.915 176.627 177.584 -0.070 0.000 1.358 39 A CA -0.447 51.622 52.037 0.052 0.000 1.048 39 A CB 1.490 20.514 19.000 0.039 0.000 1.345 39 A HN -0.688 7.363 8.150 0.094 0.156 0.583 40 K N -0.264 120.104 120.400 -0.053 0.000 2.362 40 K HA 0.167 4.359 4.320 -0.214 0.000 0.245 40 K C -0.280 176.057 176.600 -0.438 0.000 1.040 40 K CA -1.157 55.034 56.287 -0.160 0.000 0.961 40 K CB 0.736 33.259 32.500 0.038 0.000 1.252 40 K HN -0.585 7.572 8.250 0.037 0.116 0.503 41 S N -0.526 114.887 115.700 -0.479 0.000 2.549 41 S HA -0.248 3.587 4.470 -1.058 0.000 0.278 41 S C -1.074 173.112 174.600 -0.690 0.000 1.344 41 S CA 1.528 59.295 58.200 -0.721 0.000 1.025 41 S CB 0.428 63.394 63.200 -0.391 0.000 0.851 41 S HN 0.072 8.216 8.310 -0.277 0.000 0.530 42 Y N -6.392 113.864 120.300 -0.073 0.000 2.640 42 Y HA 0.149 4.652 4.550 -0.078 0.000 0.295 42 Y C -1.435 174.574 175.900 0.181 0.000 1.023 42 Y CA -2.828 55.318 58.100 0.077 0.000 1.163 42 Y CB -1.585 37.005 38.460 0.217 0.000 1.145 42 Y HN -0.139 7.772 8.280 -0.615 0.000 0.609 43 A N 1.865 124.816 122.820 0.218 0.000 2.512 43 A HA -0.195 4.275 4.320 0.250 0.000 0.278 43 A C 0.995 178.808 177.584 0.382 0.000 1.128 43 A CA 0.571 52.753 52.037 0.242 0.000 0.818 43 A CB -0.453 18.613 19.000 0.110 0.000 1.044 43 A HN 0.105 8.244 8.150 -0.019 0.000 0.526 44 E N 4.837 125.246 120.200 0.347 0.000 2.265 44 E HA -0.430 4.045 4.350 0.209 0.000 0.196 44 E C 1.230 178.073 176.600 0.406 0.000 0.996 44 E CA 2.610 59.177 56.400 0.278 0.000 0.832 44 E CB -0.292 29.520 29.700 0.186 0.000 0.756 44 E HN 0.570 9.120 8.360 0.317 0.000 0.491 45 S N -1.552 114.392 115.700 0.406 0.000 2.380 45 S HA -0.360 4.401 4.470 0.485 0.000 0.229 45 S C 1.809 176.646 174.600 0.396 0.000 1.043 45 S CA 3.174 61.613 58.200 0.398 0.000 1.038 45 S CB -0.682 62.644 63.200 0.210 0.000 0.872 45 S HN 0.058 8.517 8.310 0.325 0.046 0.456 46 E N 0.558 120.953 120.200 0.325 0.000 2.152 46 E HA -0.202 4.275 4.350 0.212 0.000 0.192 46 E C 2.061 178.844 176.600 0.305 0.000 0.983 46 E CA 2.199 58.764 56.400 0.276 0.000 0.818 46 E CB -0.303 29.534 29.700 0.228 0.000 0.758 46 E HN -0.679 7.863 8.360 0.320 0.009 0.467 47 L N 0.503 121.920 121.223 0.323 0.000 1.978 47 L HA -0.447 4.002 4.340 0.181 0.000 0.218 47 L C 1.441 178.335 176.870 0.040 0.000 1.075 47 L CA 3.362 58.254 54.840 0.087 0.000 0.767 47 L CB -0.243 41.660 42.059 -0.260 0.000 0.890 47 L HN -0.830 7.501 8.230 0.380 0.127 0.434 48 F N -4.113 115.881 119.950 0.073 0.000 2.106 48 F HA -0.563 3.979 4.527 0.026 0.000 0.299 48 F C 2.209 178.014 175.800 0.008 0.000 1.082 48 F CA 4.079 62.101 58.000 0.037 0.000 1.244 48 F CB -0.693 38.330 39.000 0.039 0.000 0.997 48 F HN -0.385 7.964 8.300 0.082 0.000 0.486 49 S N -2.114 113.693 115.700 0.179 0.000 2.406 49 S HA -0.273 4.204 4.470 0.013 0.000 0.228 49 S C 1.853 176.404 174.600 -0.081 0.000 1.020 49 S CA 2.596 60.794 58.200 -0.004 0.000 0.965 49 S CB -0.437 62.700 63.200 -0.104 0.000 0.798 49 S HN -0.486 7.867 8.310 0.236 0.099 0.488 50 I N 1.955 122.531 120.570 0.010 0.000 2.193 50 I HA -0.396 3.758 4.170 -0.026 0.000 0.240 50 I C 1.203 177.405 176.117 0.142 0.000 1.084 50 I CA 4.170 65.509 61.300 0.064 0.000 1.365 50 I CB 0.285 38.399 38.000 0.190 0.000 1.064 50 I HN 0.045 8.161 8.210 0.075 0.139 0.410 51 V N -2.459 117.553 119.914 0.164 0.000 2.720 51 V HA -0.521 3.838 4.120 0.399 0.000 0.256 51 V C 1.706 177.830 176.094 0.049 0.000 1.082 51 V CA 3.784 66.194 62.300 0.183 0.000 1.101 51 V CB -0.520 31.318 31.823 0.026 0.000 0.693 51 V HN 0.208 8.361 8.190 0.119 0.108 0.479 52 Q N 0.505 120.325 119.800 0.034 0.000 2.123 52 Q HA -0.287 4.046 4.340 -0.012 0.000 0.196 52 Q C 1.962 177.976 176.000 0.023 0.000 0.958 52 Q CA 3.384 59.193 55.803 0.011 0.000 0.841 52 Q CB 0.069 28.816 28.738 0.015 0.000 0.915 52 Q HN -0.490 7.653 8.270 0.043 0.152 0.455 53 D N 1.029 121.443 120.400 0.023 0.000 2.087 53 D HA -0.306 4.363 4.640 0.049 0.000 0.192 53 D C 2.636 178.982 176.300 0.077 0.000 0.993 53 D CA 3.548 57.575 54.000 0.045 0.000 0.828 53 D CB -0.373 40.445 40.800 0.030 0.000 0.968 53 D HN -0.313 7.978 8.370 0.001 0.080 0.448 54 V N -0.249 119.735 119.914 0.117 0.000 2.392 54 V HA -0.450 3.749 4.120 0.131 0.000 0.249 54 V C 0.757 176.909 176.094 0.096 0.000 1.059 54 V CA 3.832 66.218 62.300 0.143 0.000 1.051 54 V CB -0.057 31.910 31.823 0.239 0.000 0.658 54 V HN -0.391 7.879 8.190 0.134 0.000 0.455 55 A N -1.225 121.632 122.820 0.062 0.000 1.940 55 A HA -0.407 3.916 4.320 0.005 0.000 0.219 55 A C 2.066 179.659 177.584 0.015 0.000 1.176 55 A CA 3.269 55.312 52.037 0.010 0.000 0.631 55 A CB -0.943 18.032 19.000 -0.041 0.000 0.814 55 A HN -0.566 7.542 8.150 0.068 0.082 0.446 56 Q N -3.645 116.170 119.800 0.026 0.000 2.170 56 Q HA -0.295 4.054 4.340 0.015 0.000 0.203 56 Q C 2.442 178.461 176.000 0.031 0.000 0.976 56 Q CA 2.757 58.575 55.803 0.025 0.000 0.858 56 Q CB -0.262 28.496 28.738 0.033 0.000 0.907 56 Q HN -0.044 8.145 8.270 0.033 0.101 0.433 57 R N -2.331 118.195 120.500 0.044 0.000 2.073 57 R HA -0.148 4.216 4.340 0.040 0.000 0.229 57 R C 1.681 178.004 176.300 0.038 0.000 1.120 57 R CA 1.665 57.793 56.100 0.046 0.000 0.967 57 R CB -0.351 29.987 30.300 0.063 0.000 0.862 57 R HN -0.796 7.371 8.270 0.054 0.135 0.436 58 L N -3.667 117.579 121.223 0.039 0.000 2.554 58 L HA 0.056 4.414 4.340 0.031 0.000 0.226 58 L C 0.599 177.479 176.870 0.016 0.000 1.137 58 L CA 0.399 55.257 54.840 0.030 0.000 0.863 58 L CB -0.015 42.064 42.059 0.034 0.000 0.985 58 L HN 0.020 8.200 8.230 0.045 0.077 0.451 59 N N -2.070 116.638 118.700 0.013 0.000 2.738 59 N HA -0.400 4.343 4.740 0.004 0.000 0.249 59 N C -1.630 173.876 175.510 -0.006 0.000 1.047 59 N CA 1.245 54.298 53.050 0.005 0.000 0.707 59 N CB -0.801 37.690 38.487 0.007 0.000 0.937 59 N HN -0.282 7.990 8.380 0.019 0.119 0.545 60 M N -0.786 118.805 119.600 -0.014 0.000 2.530 60 M HA 0.513 4.977 4.480 -0.027 0.000 0.307 60 M C -2.848 173.422 176.300 -0.050 0.000 1.161 60 M CA -4.371 50.911 55.300 -0.031 0.000 0.903 60 M CB 1.216 33.794 32.600 -0.036 0.000 1.711 60 M HN -0.263 8.021 8.290 -0.011 0.000 0.451 61 P HA 0.199 4.578 4.420 -0.067 0.000 0.268 61 P C 0.389 177.616 177.300 -0.123 0.000 1.204 61 P CA -0.582 62.470 63.100 -0.081 0.000 0.768 61 P CB 0.547 32.200 31.700 -0.078 0.000 0.842 62 I N 3.835 124.328 120.570 -0.128 0.000 2.381 62 I HA -0.504 3.567 4.170 -0.164 0.000 0.255 62 I C 1.344 177.308 176.117 -0.255 0.000 1.140 62 I CA 3.279 64.479 61.300 -0.166 0.000 1.404 62 I CB 0.326 38.255 38.000 -0.119 0.000 1.075 62 I HN 0.362 8.513 8.210 -0.099 0.000 0.433 63 Q N -0.871 118.761 119.800 -0.280 0.000 2.172 63 Q HA -0.271 3.728 4.340 -0.568 0.000 0.200 63 Q C 1.999 177.866 176.000 -0.222 0.000 0.964 63 Q CA 3.414 58.990 55.803 -0.379 0.000 0.855 63 Q CB -0.528 27.986 28.738 -0.373 0.000 0.918 63 Q HN 0.330 8.426 8.270 -0.227 0.038 0.444 64 D N 0.207 120.504 120.400 -0.171 0.000 2.194 64 D HA -0.136 4.450 4.640 -0.089 0.000 0.204 64 D C 2.475 178.660 176.300 -0.191 0.000 0.964 64 D CA 3.001 56.924 54.000 -0.129 0.000 0.846 64 D CB -0.085 40.660 40.800 -0.092 0.000 0.962 64 D HN -0.222 7.940 8.370 -0.167 0.107 0.490 65 V N 0.993 120.728 119.914 -0.298 0.000 2.255 65 V HA -0.425 3.444 4.120 -0.417 0.000 0.243 65 V C 1.339 176.892 176.094 -0.901 0.000 1.038 65 V CA 4.287 66.254 62.300 -0.555 0.000 1.008 65 V CB 0.167 31.661 31.823 -0.548 0.000 0.645 65 V HN -0.599 7.431 8.190 -0.265 0.000 0.449 66 V N -0.360 119.145 119.914 -0.682 0.000 2.324 66 V HA -0.629 3.098 4.120 -0.656 0.000 0.250 66 V C 1.228 177.196 176.094 -0.210 0.000 1.060 66 V CA 4.246 66.250 62.300 -0.493 0.000 1.042 66 V CB -0.173 31.486 31.823 -0.272 0.000 0.650 66 V HN -0.426 7.456 8.190 -0.512 0.000 0.450 67 K N -1.872 118.458 120.400 -0.116 0.000 2.020 67 K HA -0.397 4.134 4.320 0.089 -0.158 0.212 67 K C 2.390 179.016 176.600 0.044 0.000 1.050 67 K CA 3.233 59.531 56.287 0.019 0.000 0.929 67 K CB -0.320 32.195 32.500 0.024 0.000 0.714 67 K HN -0.664 7.485 8.250 -0.164 0.003 0.443 68 A N -0.120 122.712 122.820 0.021 0.000 1.851 68 A HA -0.274 4.137 4.320 0.151 0.000 0.216 68 A C 2.169 180.060 177.584 0.513 0.000 1.195 68 A CA 2.938 55.111 52.037 0.227 0.000 0.622 68 A CB -0.549 18.626 19.000 0.292 0.000 0.831 68 A HN -0.706 7.321 8.150 -0.090 0.070 0.444 69 F N -3.668 116.415 119.950 0.221 0.000 2.225 69 F HA -0.363 4.318 4.527 0.258 0.000 0.302 69 F C 2.541 178.431 175.800 0.151 0.000 1.068 69 F CA 0.406 58.511 58.000 0.175 0.000 1.327 69 F CB -1.642 37.355 39.000 -0.006 0.000 1.043 69 F HN 0.099 8.496 8.300 0.163 0.000 0.506 70 G N -2.257 106.715 108.800 0.287 0.000 2.404 70 G HA2 -0.392 3.653 3.960 0.142 0.000 0.215 70 G HA3 -0.392 3.780 3.960 0.130 -0.134 0.215 70 G C 0.694 175.702 174.900 0.179 0.000 1.174 70 G CA 1.726 46.930 45.100 0.174 0.000 0.780 70 G HN -0.329 7.959 8.290 0.246 0.150 0.537 71 Q N 2.858 122.742 119.800 0.140 0.000 2.030 71 Q HA -0.327 4.208 4.340 0.076 -0.150 0.204 71 Q C 2.553 178.567 176.000 0.023 0.000 0.986 71 Q CA 2.692 58.513 55.803 0.029 0.000 0.843 71 Q CB -0.156 28.491 28.738 -0.152 0.000 0.904 71 Q HN -0.393 7.887 8.270 0.150 0.080 0.420 72 F N -2.067 117.957 119.950 0.123 0.000 2.126 72 F HA -0.354 4.223 4.527 0.084 0.000 0.299 72 F C 2.164 177.998 175.800 0.056 0.000 1.096 72 F CA 4.093 62.139 58.000 0.078 0.000 1.255 72 F CB -0.398 38.619 39.000 0.028 0.000 0.997 72 F HN -0.447 7.974 8.300 0.200 0.000 0.479 73 L N -0.284 121.080 121.223 0.235 0.000 2.079 73 L HA -0.385 3.981 4.340 0.043 0.000 0.210 73 L C 1.122 178.033 176.870 0.068 0.000 1.081 73 L CA 2.921 57.820 54.840 0.098 0.000 0.752 73 L CB -0.535 41.561 42.059 0.063 0.000 0.896 73 L HN 0.063 8.270 8.230 0.283 0.193 0.433 74 F N -0.968 118.990 119.950 0.014 0.000 2.206 74 F HA -0.428 4.079 4.527 -0.033 0.000 0.298 74 F C 1.206 177.009 175.800 0.006 0.000 1.090 74 F CA 3.894 61.893 58.000 -0.001 0.000 1.323 74 F CB 0.143 39.157 39.000 0.024 0.000 1.028 74 F HN -0.415 7.953 8.300 0.292 0.108 0.492 75 N N 0.373 119.217 118.700 0.239 0.000 2.004 75 N HA -0.392 4.499 4.740 0.252 0.000 0.196 75 N C 2.812 178.346 175.510 0.040 0.000 1.064 75 N CA 3.114 56.270 53.050 0.175 0.000 0.855 75 N CB -0.678 37.913 38.487 0.174 0.000 1.056 75 N HN -0.527 7.933 8.380 0.266 0.080 0.423 76 G N -0.171 108.656 108.800 0.044 0.000 2.505 76 G HA2 -0.309 3.665 3.960 0.023 0.000 0.220 76 G HA3 -0.309 3.652 3.960 0.002 0.000 0.220 76 G C 1.882 176.744 174.900 -0.063 0.000 1.145 76 G CA 1.865 46.967 45.100 0.002 0.000 0.761 76 G HN -0.343 8.002 8.290 0.093 0.000 0.571 77 L N 1.864 122.999 121.223 -0.148 0.000 2.042 77 L HA -0.407 3.826 4.340 -0.179 0.000 0.210 77 L C 1.647 178.420 176.870 -0.162 0.000 1.076 77 L CA 2.366 57.060 54.840 -0.243 0.000 0.749 77 L CB -0.313 41.476 42.059 -0.449 0.000 0.893 77 L HN -0.603 7.536 8.230 -0.140 0.008 0.432 78 A N -3.537 119.142 122.820 -0.235 0.000 2.139 78 A HA -0.317 3.996 4.320 -0.012 0.000 0.221 78 A C 1.670 179.240 177.584 -0.023 0.000 1.159 78 A CA 2.357 54.313 52.037 -0.136 0.000 0.662 78 A CB -0.722 18.104 19.000 -0.290 0.000 0.796 78 A HN -0.172 7.690 8.150 -0.345 0.081 0.463 79 S N -3.565 112.128 115.700 -0.011 0.000 2.404 79 S HA -0.095 4.383 4.470 0.015 0.000 0.223 79 S C 2.382 176.995 174.600 0.022 0.000 1.040 79 S CA 2.077 60.284 58.200 0.011 0.000 0.957 79 S CB 0.096 63.305 63.200 0.014 0.000 0.826 79 S HN -0.285 7.803 8.310 -0.038 0.199 0.491 80 R N 1.378 121.893 120.500 0.025 0.000 2.078 80 R HA -0.186 4.171 4.340 0.028 0.000 0.224 80 R C 1.752 178.109 176.300 0.094 0.000 1.149 80 R CA 2.090 58.214 56.100 0.038 0.000 0.916 80 R CB -0.649 29.652 30.300 0.002 0.000 0.821 80 R HN -0.506 7.667 8.270 -0.000 0.097 0.434 81 H N -2.855 116.171 119.070 -0.073 0.000 2.770 81 H HA 0.199 4.728 4.556 -0.044 0.000 0.315 81 H C 0.610 175.884 175.328 -0.091 0.000 1.127 81 H CA -1.565 54.443 56.048 -0.066 0.000 1.155 81 H CB -0.961 28.767 29.762 -0.057 0.000 1.397 81 H HN -0.477 7.935 8.280 0.221 0.000 0.538 82 T N 2.179 116.692 114.554 -0.068 0.000 2.653 82 T HA -0.492 3.844 4.350 -0.190 -0.099 0.268 82 T C 1.655 176.196 174.700 -0.265 0.000 1.035 82 T CA 4.537 66.539 62.100 -0.164 0.000 1.154 82 T CB -0.033 68.795 68.868 -0.067 0.000 0.862 82 T HN -0.778 7.355 8.240 0.019 0.118 0.441 83 D N 0.316 120.599 120.400 -0.195 0.000 2.190 83 D HA -0.237 4.294 4.640 -0.181 0.000 0.200 83 D C 1.377 177.481 176.300 -0.326 0.000 0.992 83 D CA 2.791 56.669 54.000 -0.202 0.000 0.854 83 D CB -0.691 40.036 40.800 -0.122 0.000 0.936 83 D HN 0.304 8.599 8.370 -0.125 0.000 0.462 84 V N -2.119 117.543 119.914 -0.420 0.000 2.667 84 V HA -0.217 3.683 4.120 -0.366 0.000 0.252 84 V C 1.887 177.457 176.094 -0.873 0.000 1.065 84 V CA 2.507 64.504 62.300 -0.505 0.000 1.083 84 V CB 0.224 31.825 31.823 -0.370 0.000 0.692 84 V HN -0.384 7.429 8.190 -0.392 0.142 0.468 85 V N 1.912 121.334 119.914 -0.819 0.000 2.407 85 V HA -0.354 3.469 4.120 -0.496 0.000 0.245 85 V C 1.660 177.339 176.094 -0.693 0.000 1.041 85 V CA 3.887 65.809 62.300 -0.630 0.000 1.040 85 V CB -0.681 30.965 31.823 -0.295 0.000 0.671 85 V HN -0.132 7.447 8.190 -0.760 0.155 0.455 86 D N -1.396 118.721 120.400 -0.471 0.000 2.411 86 D HA -0.193 4.320 4.640 -0.212 0.000 0.226 86 D C 0.441 176.487 176.300 -0.423 0.000 0.988 86 D CA 1.841 55.647 54.000 -0.323 0.000 0.938 86 D CB -0.720 39.958 40.800 -0.204 0.000 0.883 86 D HN -0.015 8.108 8.370 -0.412 0.000 0.525 87 K N -3.548 116.362 120.400 -0.816 0.000 2.323 87 K HA -0.075 4.017 4.320 -0.379 0.000 0.197 87 K C 0.451 176.747 176.600 -0.506 0.000 1.043 87 K CA 0.871 56.729 56.287 -0.714 0.000 0.997 87 K CB 1.089 33.083 32.500 -0.844 0.000 0.807 87 K HN -0.754 6.632 8.250 -1.194 0.147 0.497 88 F N -0.604 119.288 119.950 -0.095 0.000 2.415 88 F HA 0.086 4.547 4.527 -0.111 0.000 0.348 88 F C -0.440 175.285 175.800 -0.125 0.000 1.119 88 F CA -2.753 55.180 58.000 -0.112 0.000 1.069 88 F CB 0.177 39.106 39.000 -0.120 0.000 1.124 88 F HN 0.007 7.375 8.300 -1.288 0.159 0.472 89 D N 0.773 121.177 120.400 0.006 0.000 2.349 89 D HA -0.000 4.601 4.640 -0.064 0.000 0.215 89 D C -0.580 175.533 176.300 -0.313 0.000 1.016 89 D CA -0.258 53.690 54.000 -0.088 0.000 0.870 89 D CB 0.736 41.511 40.800 -0.041 0.000 0.917 89 D HN 0.310 8.705 8.370 0.041 0.000 0.524 90 D N -2.288 117.910 120.400 -0.337 0.000 2.653 90 D HA 0.098 3.869 4.640 -1.449 0.000 0.258 90 D C -1.333 174.781 176.300 -0.311 0.000 1.252 90 D CA -0.572 53.050 54.000 -0.630 0.000 0.777 90 D CB 2.028 42.610 40.800 -0.364 0.000 1.339 90 D HN -0.865 7.367 8.370 -0.144 0.052 0.422 91 F N 2.108 121.838 119.950 -0.367 0.000 2.126 91 F HA -0.423 4.030 4.527 -0.124 0.000 0.299 91 F C 0.808 176.523 175.800 -0.141 0.000 1.096 91 F CA 4.532 62.440 58.000 -0.155 0.000 1.255 91 F CB 0.508 39.477 39.000 -0.051 0.000 0.997 91 F HN 0.583 8.734 8.300 -0.249 0.000 0.479 92 T N 0.194 114.731 114.554 -0.029 0.000 2.622 92 T HA -0.498 3.777 4.350 -0.124 0.000 0.266 92 T C 1.636 176.187 174.700 -0.248 0.000 1.047 92 T CA 5.354 67.387 62.100 -0.111 0.000 1.159 92 T CB -0.841 68.033 68.868 0.010 0.000 0.863 92 T HN -0.074 8.243 8.240 0.128 0.000 0.422 93 S N 2.323 117.909 115.700 -0.189 0.000 2.380 93 S HA -0.418 3.954 4.470 -0.165 0.000 0.229 93 S C 1.715 176.104 174.600 -0.351 0.000 1.043 93 S CA 3.194 61.275 58.200 -0.197 0.000 1.038 93 S CB -0.512 62.628 63.200 -0.100 0.000 0.872 93 S HN -0.038 8.189 8.310 -0.139 0.000 0.456 94 L N 0.526 121.487 121.223 -0.436 0.000 2.046 94 L HA -0.286 3.517 4.340 -0.895 0.000 0.208 94 L C 1.553 178.089 176.870 -0.556 0.000 1.077 94 L CA 2.982 57.457 54.840 -0.608 0.000 0.747 94 L CB 0.037 41.822 42.059 -0.455 0.000 0.896 94 L HN -0.726 7.276 8.230 -0.359 0.013 0.432 95 V N -0.961 118.601 119.914 -0.587 0.000 2.358 95 V HA -0.445 3.417 4.120 -0.430 0.000 0.246 95 V C 1.946 177.861 176.094 -0.298 0.000 1.047 95 V CA 4.138 66.160 62.300 -0.463 0.000 1.035 95 V CB -0.058 31.466 31.823 -0.499 0.000 0.658 95 V HN -0.389 7.299 8.190 -0.679 0.095 0.452 96 M N -5.695 113.740 119.600 -0.276 0.000 2.618 96 M HA 0.059 4.455 4.480 -0.140 0.000 0.240 96 M C 0.626 176.755 176.300 -0.285 0.000 1.123 96 M CA 1.877 57.056 55.300 -0.202 0.000 1.060 96 M CB -0.219 32.293 32.600 -0.147 0.000 1.535 96 M HN -0.161 7.949 8.290 -0.300 0.000 0.507 97 G N -1.592 106.968 108.800 -0.399 0.000 2.833 97 G HA2 0.230 3.926 3.960 -0.440 0.000 0.214 97 G HA3 0.230 3.951 3.960 -0.500 -0.061 0.214 97 G C -0.411 174.139 174.900 -0.583 0.000 1.075 97 G CA -0.324 44.483 45.100 -0.487 0.000 0.799 97 G HN -0.571 7.265 8.290 -0.417 0.204 0.541 98 I N 1.832 122.103 120.570 -0.498 0.000 4.049 98 I HA -0.748 3.239 4.170 -0.306 0.000 0.119 98 I C 1.114 177.035 176.117 -0.327 0.000 0.741 98 I CA 3.668 64.767 61.300 -0.334 0.000 0.998 98 I CB -0.653 37.265 38.000 -0.136 0.000 0.801 98 I HN -0.020 7.924 8.210 -0.444 0.000 0.322 99 H N -1.194 117.808 119.070 -0.114 0.000 2.325 99 H HA -0.506 4.017 4.556 -0.055 0.000 0.293 99 H C 1.583 176.868 175.328 -0.072 0.000 1.106 99 H CA 2.958 58.957 56.048 -0.082 0.000 1.247 99 H CB -1.010 28.691 29.762 -0.102 0.000 1.359 99 H HN 0.218 8.538 8.280 0.068 0.000 0.488 100 D N -0.705 119.272 120.400 -0.707 0.000 2.240 100 D HA -0.394 4.176 4.640 -0.117 0.000 0.204 100 D C 2.291 178.493 176.300 -0.163 0.000 1.018 100 D CA 2.701 56.502 54.000 -0.332 0.000 0.887 100 D CB -0.040 40.506 40.800 -0.422 0.000 1.087 100 D HN -0.176 7.061 8.370 -1.888 0.001 0.464 101 V N -1.619 118.183 119.914 -0.187 0.000 2.283 101 V HA -0.329 3.787 4.120 -0.007 0.000 0.243 101 V C 1.863 177.970 176.094 0.021 0.000 1.039 101 V CA 3.971 66.243 62.300 -0.047 0.000 1.016 101 V CB -0.177 31.651 31.823 0.008 0.000 0.650 101 V HN -0.242 7.771 8.190 -0.295 0.000 0.449 102 I N 1.253 121.806 120.570 -0.029 0.000 2.163 102 I HA -0.514 3.786 4.170 0.216 0.000 0.243 102 I C 1.803 177.960 176.117 0.066 0.000 1.085 102 I CA 4.637 65.990 61.300 0.087 0.000 1.347 102 I CB -0.775 37.255 38.000 0.049 0.000 1.044 102 I HN -0.493 7.603 8.210 -0.190 0.000 0.408 103 G N -1.370 107.441 108.800 0.018 0.000 2.480 103 G HA2 -0.361 3.629 3.960 0.050 0.000 0.216 103 G HA3 -0.361 3.749 3.960 0.047 -0.122 0.216 103 G C 0.886 175.812 174.900 0.043 0.000 1.200 103 G CA 2.128 47.253 45.100 0.041 0.000 0.782 103 G HN -0.414 7.769 8.290 -0.033 0.087 0.554 104 L N 1.595 122.834 121.223 0.027 0.000 2.021 104 L HA -0.378 3.975 4.340 0.022 0.000 0.215 104 L C 1.733 178.627 176.870 0.040 0.000 1.074 104 L CA 2.712 57.568 54.840 0.026 0.000 0.760 104 L CB -0.341 41.726 42.059 0.014 0.000 0.889 104 L HN -0.494 7.740 8.230 0.008 0.000 0.433 105 E N -1.355 118.880 120.200 0.058 0.000 2.058 105 E HA -0.360 4.022 4.350 0.054 0.000 0.194 105 E C 2.503 179.151 176.600 0.080 0.000 0.997 105 E CA 2.912 59.355 56.400 0.071 0.000 0.801 105 E CB -0.433 29.328 29.700 0.103 0.000 0.746 105 E HN 0.062 8.348 8.360 0.062 0.111 0.450 106 V N -0.398 119.570 119.914 0.090 0.000 2.252 106 V HA -0.539 3.648 4.120 0.111 0.000 0.249 106 V C 1.878 178.033 176.094 0.102 0.000 1.056 106 V CA 4.960 67.319 62.300 0.099 0.000 1.022 106 V CB -0.304 31.571 31.823 0.086 0.000 0.641 106 V HN 0.162 8.331 8.190 0.089 0.075 0.445 107 N N -1.292 117.450 118.700 0.070 0.000 2.091 107 N HA -0.347 4.558 4.740 0.053 -0.133 0.193 107 N C 1.507 177.041 175.510 0.041 0.000 1.021 107 N CA 2.784 55.859 53.050 0.042 0.000 0.862 107 N CB -0.061 38.425 38.487 -0.002 0.000 1.018 107 N HN -0.316 8.099 8.380 0.058 0.000 0.429 108 K N -3.285 117.140 120.400 0.041 0.000 2.097 108 K HA -0.255 4.074 4.320 0.016 0.000 0.206 108 K C 2.175 178.808 176.600 0.055 0.000 1.049 108 K CA 1.421 57.729 56.287 0.034 0.000 0.933 108 K CB -0.266 32.253 32.500 0.031 0.000 0.717 108 K HN -0.518 7.668 8.250 0.044 0.090 0.442 109 L N -2.032 119.246 121.223 0.093 0.000 2.056 109 L HA -0.230 4.172 4.340 0.103 0.000 0.207 109 L C 0.249 177.242 176.870 0.205 0.000 1.078 109 L CA 1.622 56.541 54.840 0.132 0.000 0.749 109 L CB 0.934 43.080 42.059 0.145 0.000 0.901 109 L HN -0.548 7.623 8.230 0.094 0.115 0.433 110 Y N -6.453 113.888 120.300 0.069 0.000 2.609 110 Y HA 0.019 4.625 4.550 0.094 0.000 0.336 110 Y C -1.592 174.368 175.900 0.100 0.000 1.129 110 Y CA -1.335 56.821 58.100 0.093 0.000 1.040 110 Y CB 1.709 40.232 38.460 0.105 0.000 1.310 110 Y HN -0.202 8.125 8.280 0.216 0.082 0.460 111 H N 2.000 120.917 119.070 -0.256 0.000 2.355 111 H HA -0.365 4.160 4.556 -0.052 0.000 0.293 111 H C 0.172 175.631 175.328 0.218 0.000 1.060 111 H CA 5.064 61.098 56.048 -0.022 0.000 1.167 111 H CB 0.456 30.148 29.762 -0.117 0.000 1.376 111 H HN 0.327 7.935 8.280 -1.120 0.000 0.549 112 E N -3.843 116.680 120.200 0.538 0.000 8.052 112 E HA -0.232 4.338 4.350 0.367 0.000 0.466 112 E C -1.768 174.924 176.600 0.153 0.000 0.765 112 E CA 0.109 56.709 56.400 0.332 0.000 1.332 112 E CB -0.775 29.070 29.700 0.242 0.000 0.986 112 E HN 0.252 9.141 8.360 0.882 0.000 0.275 113 P HA -0.079 4.425 4.420 0.140 0.000 0.196 113 P C -0.788 176.541 177.300 0.048 0.000 1.130 113 P CA 0.776 63.947 63.100 0.118 0.000 0.860 113 P CB 0.611 32.390 31.700 0.133 0.000 0.705 114 S N -1.923 113.815 115.700 0.064 0.000 2.540 114 S HA 0.114 4.604 4.470 0.032 0.000 0.275 114 S C -0.352 174.282 174.600 0.055 0.000 1.123 114 S CA -0.432 57.795 58.200 0.045 0.000 0.907 114 S CB 1.138 64.360 63.200 0.036 0.000 1.081 114 S HN -0.310 8.049 8.310 0.083 0.000 0.476 115 L N 5.730 126.982 121.223 0.049 0.000 2.418 115 L HA 0.271 4.648 4.340 0.061 0.000 0.265 115 L C -1.210 175.675 176.870 0.025 0.000 1.143 115 L CA -1.596 53.273 54.840 0.049 0.000 0.809 115 L CB -0.119 41.973 42.059 0.054 0.000 1.124 115 L HN 0.234 8.490 8.230 0.044 0.000 0.456 116 P HA -0.157 4.236 4.420 -0.046 0.000 0.272 116 P C -1.487 175.763 177.300 -0.084 0.000 1.225 116 P CA 0.361 63.426 63.100 -0.057 0.000 0.800 116 P CB 0.700 32.329 31.700 -0.120 0.000 0.894 117 H N 1.451 120.380 119.070 -0.236 0.000 2.846 117 H HA 0.070 4.487 4.556 -0.231 0.000 0.278 117 H C -1.254 173.886 175.328 -0.314 0.000 1.117 117 H CA 0.114 56.008 56.048 -0.256 0.000 1.406 117 H CB -0.069 29.554 29.762 -0.231 0.000 1.445 117 H HN -0.224 8.000 8.280 -0.093 0.000 0.469 118 I N 7.095 127.227 120.570 -0.730 0.000 2.466 118 I HA 0.580 4.734 4.170 -0.404 -0.227 0.289 118 I C -1.671 173.925 176.117 -0.868 0.000 1.026 118 I CA -1.441 59.521 61.300 -0.564 0.000 1.078 118 I CB 2.753 40.655 38.000 -0.164 0.000 1.249 118 I HN -0.198 7.553 8.210 -0.765 0.000 0.429 119 N N 6.745 125.140 118.700 -0.509 0.000 2.410 119 N HA 0.263 4.793 4.740 -0.350 0.000 0.287 119 N C -1.699 173.747 175.510 -0.106 0.000 1.044 119 N CA -0.868 51.981 53.050 -0.336 0.000 0.881 119 N CB 3.812 42.102 38.487 -0.329 0.000 1.405 119 N HN 0.339 8.501 8.380 -0.365 0.000 0.490 120 G N 1.955 110.760 108.800 0.008 0.000 2.473 120 G HA2 0.625 4.763 3.960 -0.035 0.000 0.321 120 G HA3 0.625 4.572 3.960 -0.023 0.000 0.321 120 G C -2.540 172.347 174.900 -0.021 0.000 1.200 120 G CA -0.653 44.437 45.100 -0.017 0.000 0.963 120 G HN 0.054 8.414 8.290 0.118 0.000 0.483 121 Q N 0.498 120.281 119.800 -0.027 0.000 2.511 121 Q HA 0.256 4.582 4.340 -0.023 0.000 0.289 121 Q C -2.201 173.787 176.000 -0.020 0.000 1.021 121 Q CA -0.755 55.035 55.803 -0.021 0.000 0.785 121 Q CB 3.351 32.082 28.738 -0.012 0.000 1.472 121 Q HN 0.313 8.565 8.270 -0.030 0.000 0.411 122 L N 1.621 122.835 121.223 -0.016 0.000 2.331 122 L HA 0.390 4.725 4.340 -0.007 0.000 0.275 122 L C -0.355 176.514 176.870 -0.002 0.000 1.022 122 L CA -1.297 53.538 54.840 -0.009 0.000 0.812 122 L CB 0.838 42.890 42.059 -0.012 0.000 1.257 122 L HN 0.148 8.369 8.230 -0.015 0.000 0.435 123 L N 2.551 123.776 121.223 0.004 0.000 2.303 123 L HA 0.567 4.910 4.340 0.005 0.000 0.266 123 L C -0.384 176.490 176.870 0.007 0.000 1.011 123 L CA -2.744 52.099 54.840 0.006 0.000 0.818 123 L CB 1.581 43.645 42.059 0.008 0.000 1.326 123 L HN 0.296 8.530 8.230 0.006 0.000 0.435 124 P HA -0.031 4.393 4.420 0.007 0.000 0.218 124 P C -0.017 177.288 177.300 0.008 0.000 1.152 124 P CA 1.522 64.626 63.100 0.007 0.000 0.826 124 P CB 0.282 31.985 31.700 0.006 0.000 0.790 125 N N 0.608 119.312 118.700 0.008 0.000 2.683 125 N HA -0.076 4.668 4.740 0.007 0.000 0.256 125 N C -1.213 174.303 175.510 0.008 0.000 1.270 125 N CA -0.530 52.525 53.050 0.007 0.000 0.954 125 N CB -1.783 36.708 38.487 0.006 0.000 1.289 125 N HN 0.252 8.637 8.380 0.007 0.000 0.508 126 N N -2.881 115.826 118.700 0.011 0.000 2.686 126 N HA -0.453 4.298 4.740 0.020 0.000 0.261 126 N C -1.959 173.559 175.510 0.014 0.000 1.001 126 N CA 1.455 54.514 53.050 0.015 0.000 0.764 126 N CB -2.007 36.489 38.487 0.014 0.000 0.898 126 N HN 0.010 8.276 8.380 0.011 0.120 0.544 127 Q N -3.941 115.868 119.800 0.016 0.000 2.456 127 Q HA 0.364 4.776 4.340 0.015 -0.063 0.283 127 Q C -2.067 173.946 176.000 0.022 0.000 1.084 127 Q CA -0.994 54.819 55.803 0.016 0.000 0.801 127 Q CB 5.498 34.241 28.738 0.009 0.000 1.434 127 Q HN -0.867 7.412 8.270 0.015 0.000 0.419 128 I N -0.253 120.333 120.570 0.026 0.000 2.500 128 I HA 0.488 4.812 4.170 0.009 -0.149 0.286 128 I C -1.948 174.174 176.117 0.008 0.000 1.063 128 I CA -1.163 60.150 61.300 0.020 0.000 1.062 128 I CB 3.226 41.253 38.000 0.046 0.000 1.223 128 I HN 0.192 8.416 8.210 0.024 0.000 0.435 129 A N 7.659 130.479 122.820 -0.000 0.000 2.309 129 A HA 0.263 4.586 4.320 0.005 0.000 0.290 129 A C -2.366 175.211 177.584 -0.012 0.000 1.206 129 A CA -0.903 51.134 52.037 0.000 0.000 0.850 129 A CB 1.067 20.071 19.000 0.007 0.000 1.118 129 A HN 0.311 8.459 8.150 -0.002 0.000 0.523 130 L N 4.917 126.132 121.223 -0.014 0.000 2.341 130 L HA 0.496 4.945 4.340 -0.036 -0.131 0.278 130 L C -2.147 174.717 176.870 -0.011 0.000 1.005 130 L CA -0.977 53.847 54.840 -0.026 0.000 0.818 130 L CB 4.497 46.531 42.059 -0.042 0.000 1.259 130 L HN -0.006 8.220 8.230 -0.006 0.000 0.418 131 R N 5.993 126.469 120.500 -0.039 0.000 2.343 131 R HA 0.491 4.987 4.340 0.024 -0.142 0.320 131 R C -2.098 174.179 176.300 -0.038 0.000 0.956 131 R CA -1.733 54.334 56.100 -0.054 0.000 0.836 131 R CB 2.824 33.013 30.300 -0.185 0.000 1.151 131 R HN 0.784 8.909 8.270 -0.068 0.104 0.450 132 Y N 9.550 129.795 120.300 -0.092 0.000 2.338 132 Y HA 0.502 4.987 4.550 -0.108 0.000 0.333 132 Y C -2.473 173.429 175.900 0.002 0.000 0.968 132 Y CA -1.560 56.494 58.100 -0.077 0.000 1.123 132 Y CB 3.524 41.926 38.460 -0.097 0.000 1.165 132 Y HN 0.030 8.402 8.280 0.152 0.000 0.452 133 S N 8.102 123.426 115.700 -0.626 0.000 2.672 133 S HA 0.461 4.833 4.470 -0.164 0.000 0.291 133 S C -1.801 172.497 174.600 -0.503 0.000 1.145 133 S CA -0.743 57.246 58.200 -0.352 0.000 1.013 133 S CB 2.364 65.526 63.200 -0.063 0.000 1.017 133 S HN -0.017 7.860 8.310 -0.721 0.000 0.487 134 S N 2.721 118.236 115.700 -0.308 0.000 2.537 134 S HA 0.546 4.935 4.470 -0.133 0.000 0.271 134 S C -1.324 173.294 174.600 0.029 0.000 1.148 134 S CA -2.517 55.596 58.200 -0.145 0.000 0.868 134 S CB 1.888 65.012 63.200 -0.126 0.000 1.115 134 S HN 0.499 8.724 8.310 -0.142 0.000 0.461 135 P HA 0.156 4.609 4.420 0.055 0.000 0.241 135 P C -0.001 177.356 177.300 0.096 0.000 1.191 135 P CA 0.491 63.628 63.100 0.061 0.000 0.771 135 P CB 0.404 32.128 31.700 0.041 0.000 0.929 136 R N -3.233 117.361 120.500 0.156 0.000 2.236 136 R HA -0.039 4.392 4.340 0.151 0.000 0.208 136 R C 0.036 176.512 176.300 0.294 0.000 1.036 136 R CA -0.471 55.765 56.100 0.227 0.000 1.001 136 R CB -0.585 29.904 30.300 0.317 0.000 0.896 136 R HN 0.121 8.419 8.270 0.155 0.065 0.464 137 R N -5.537 115.137 120.500 0.290 0.000 3.758 137 R HA -0.399 4.135 4.340 0.323 0.000 0.299 137 R C -0.043 176.552 176.300 0.492 0.000 1.182 137 R CA 0.898 57.206 56.100 0.346 0.000 0.809 137 R CB -2.585 27.882 30.300 0.279 0.000 1.249 137 R HN -0.577 7.791 8.270 0.247 0.050 0.497 138 L N -2.016 119.495 121.223 0.480 0.000 2.645 138 L HA 0.006 4.657 4.340 0.519 0.000 0.235 138 L C 1.127 178.105 176.870 0.179 0.000 1.150 138 L CA -0.302 54.779 54.840 0.400 0.000 0.911 138 L CB -0.219 42.010 42.059 0.282 0.000 1.077 138 L HN -0.444 8.030 8.230 0.458 0.030 0.438 139 C N 0.110 119.476 119.300 0.110 0.000 2.385 139 C HA -0.476 3.593 4.460 -0.652 0.000 0.275 139 C C 1.913 176.718 174.990 -0.309 0.000 1.199 139 C CA 4.624 63.474 59.018 -0.279 0.000 1.782 139 C CB -1.753 25.859 27.740 -0.214 0.000 2.068 139 C HN 0.261 8.532 8.230 0.277 0.125 0.471 140 F N -1.873 118.087 119.950 0.017 0.000 2.115 140 F HA -0.371 4.186 4.527 0.050 0.000 0.300 140 F C 2.321 178.097 175.800 -0.040 0.000 1.092 140 F CA 3.845 61.854 58.000 0.016 0.000 1.245 140 F CB -1.401 37.619 39.000 0.034 0.000 0.995 140 F HN -0.205 8.070 8.300 -0.029 0.007 0.481 141 C N -0.328 119.041 119.300 0.114 0.000 2.429 141 C HA -0.461 4.040 4.460 0.068 0.000 0.277 141 C C 1.567 176.524 174.990 -0.055 0.000 1.262 141 C CA 2.758 61.794 59.018 0.029 0.000 1.733 141 C CB -0.336 27.403 27.740 -0.001 0.000 2.010 141 C HN 0.266 8.481 8.230 0.161 0.112 0.483 142 A N 0.099 122.783 122.820 -0.226 0.000 1.896 142 A HA -0.524 3.619 4.320 -0.295 0.000 0.220 142 A C 1.739 179.217 177.584 -0.177 0.000 1.206 142 A CA 3.431 55.261 52.037 -0.345 0.000 0.647 142 A CB -1.152 17.390 19.000 -0.763 0.000 0.828 142 A HN -0.450 7.446 8.150 -0.280 0.085 0.455 143 E N -1.964 118.163 120.200 -0.121 0.000 2.051 143 E HA -0.433 3.885 4.350 -0.052 0.000 0.192 143 E C 2.631 179.359 176.600 0.214 0.000 0.991 143 E CA 2.896 59.323 56.400 0.045 0.000 0.799 143 E CB -0.185 29.609 29.700 0.156 0.000 0.748 143 E HN -0.476 7.783 8.360 -0.169 -0.001 0.449 144 G N -0.469 108.430 108.800 0.164 0.000 2.476 144 G HA2 -0.333 3.742 3.960 0.191 0.000 0.218 144 G HA3 -0.333 3.876 3.960 0.125 -0.173 0.218 144 G C 1.284 176.268 174.900 0.140 0.000 1.164 144 G CA 2.130 47.327 45.100 0.163 0.000 0.768 144 G HN -0.545 7.747 8.290 0.110 0.063 0.560 145 L N 2.252 123.531 121.223 0.094 0.000 1.970 145 L HA -0.396 4.186 4.340 0.187 -0.130 0.212 145 L C 2.590 179.444 176.870 -0.027 0.000 1.071 145 L CA 3.068 57.971 54.840 0.104 0.000 0.751 145 L CB -0.254 41.873 42.059 0.114 0.000 0.889 145 L HN 0.140 8.408 8.230 0.063 0.000 0.432 146 L N -1.838 119.359 121.223 -0.043 0.000 1.990 146 L HA -0.535 3.765 4.340 -0.066 0.000 0.213 146 L C 2.195 179.032 176.870 -0.055 0.000 1.072 146 L CA 3.237 58.039 54.840 -0.063 0.000 0.755 146 L CB -0.538 41.451 42.059 -0.118 0.000 0.889 146 L HN -0.225 7.984 8.230 -0.035 0.000 0.432 147 F N -2.166 117.750 119.950 -0.058 0.000 2.091 147 F HA -0.464 3.983 4.527 -0.133 0.000 0.299 147 F C 2.441 178.160 175.800 -0.134 0.000 1.103 147 F CA 4.238 62.177 58.000 -0.103 0.000 1.228 147 F CB -0.798 38.152 39.000 -0.084 0.000 0.984 147 F HN 0.334 8.673 8.300 0.065 0.000 0.477 148 G N -2.355 106.480 108.800 0.059 0.000 2.459 148 G HA2 -0.492 3.472 3.960 0.006 0.000 0.217 148 G HA3 -0.492 3.467 3.960 -0.003 0.000 0.217 148 G C 0.454 175.251 174.900 -0.173 0.000 1.183 148 G CA 1.789 46.871 45.100 -0.030 0.000 0.776 148 G HN -0.032 8.319 8.290 0.101 0.000 0.552 149 A N 2.571 125.018 122.820 -0.622 0.000 1.881 149 A HA -0.515 2.947 4.320 -1.431 0.000 0.219 149 A C 1.615 179.191 177.584 -0.014 0.000 1.215 149 A CA 3.337 54.853 52.037 -0.868 0.000 0.648 149 A CB -0.685 17.749 19.000 -0.944 0.000 0.832 149 A HN 0.108 7.868 8.150 -0.650 0.000 0.455 150 A N -2.407 120.444 122.820 0.052 0.000 1.884 150 A HA -0.513 3.836 4.320 0.049 0.000 0.219 150 A C 2.507 180.108 177.584 0.030 0.000 1.197 150 A CA 2.941 54.910 52.037 -0.113 0.000 0.637 150 A CB -0.792 17.828 19.000 -0.634 0.000 0.827 150 A HN -0.533 7.634 8.150 0.028 0.000 0.450 151 Q N -2.214 117.592 119.800 0.009 0.000 2.077 151 Q HA -0.438 3.993 4.340 -0.014 -0.099 0.206 151 Q C 2.566 178.614 176.000 0.080 0.000 0.989 151 Q CA 2.773 58.590 55.803 0.025 0.000 0.853 151 Q CB -0.724 28.024 28.738 0.017 0.000 0.907 151 Q HN -0.577 7.682 8.270 -0.019 0.000 0.418 152 H N 0.818 119.940 119.070 0.086 0.000 2.321 152 H HA -0.262 4.367 4.556 0.123 0.000 0.295 152 H C 2.095 177.535 175.328 0.186 0.000 1.102 152 H CA 3.247 59.392 56.048 0.161 0.000 1.266 152 H CB 0.325 30.256 29.762 0.281 0.000 1.363 152 H HN -0.279 8.144 8.280 0.239 0.000 0.492 153 F N 0.258 120.312 119.950 0.174 0.000 2.843 153 F HA -0.023 4.552 4.527 0.079 0.000 0.290 153 F C -1.479 174.334 175.800 0.022 0.000 1.221 153 F CA -1.087 56.981 58.000 0.114 0.000 1.413 153 F CB -0.911 38.209 39.000 0.198 0.000 1.019 153 F HN -0.673 7.928 8.300 0.501 0.000 0.512 154 Q N -0.854 118.831 119.800 -0.191 0.000 2.417 154 Q HA -0.479 3.819 4.340 -0.149 -0.048 0.350 154 Q C -1.868 174.020 176.000 -0.186 0.000 1.364 154 Q CA 1.223 56.889 55.803 -0.228 0.000 1.024 154 Q CB -1.652 26.889 28.738 -0.327 0.000 1.235 154 Q HN -0.251 7.777 8.270 -0.117 0.171 0.388 155 Q N -1.216 118.539 119.800 -0.075 0.000 2.372 155 Q HA 0.244 4.543 4.340 -0.069 0.000 0.273 155 Q C -1.880 174.054 176.000 -0.110 0.000 1.078 155 Q CA -1.047 54.716 55.803 -0.067 0.000 0.806 155 Q CB 4.062 32.801 28.738 0.003 0.000 1.332 155 Q HN -0.298 7.864 8.270 -0.040 0.084 0.435 156 K N 5.244 125.579 120.400 -0.109 0.000 2.449 156 K HA 0.285 4.566 4.320 -0.066 0.000 0.257 156 K C -1.442 175.090 176.600 -0.113 0.000 0.989 156 K CA -0.949 55.287 56.287 -0.085 0.000 0.916 156 K CB 0.942 33.412 32.500 -0.050 0.000 1.136 156 K HN -0.186 8.190 8.250 -0.096 -0.183 0.439 157 I N -1.018 119.460 120.570 -0.153 0.000 3.217 157 I HA 0.847 5.056 4.170 -0.164 -0.137 0.308 157 I C -0.699 175.395 176.117 -0.038 0.000 1.091 157 I CA -3.164 58.015 61.300 -0.201 0.000 1.013 157 I CB 3.387 41.097 38.000 -0.485 0.000 1.250 157 I HN 0.134 8.265 8.210 -0.131 0.000 0.496 158 Q N -0.593 119.158 119.800 -0.082 0.000 2.285 158 Q HA 0.332 4.865 4.340 0.322 0.000 0.269 158 Q C -1.663 174.285 176.000 -0.086 0.000 1.030 158 Q CA -1.120 54.717 55.803 0.056 0.000 0.788 158 Q CB 3.878 32.663 28.738 0.077 0.000 1.266 158 Q HN -0.176 8.007 8.270 -0.145 0.000 0.438 159 I N 4.473 124.997 120.570 -0.076 0.000 2.355 159 I HA 0.418 4.726 4.170 -0.136 -0.220 0.288 159 I C -0.275 175.891 176.117 0.082 0.000 0.999 159 I CA -0.950 60.277 61.300 -0.122 0.000 1.163 159 I CB 1.799 39.575 38.000 -0.374 0.000 1.316 159 I HN 0.353 8.730 8.210 0.278 0.000 0.454 160 S N 7.795 123.530 115.700 0.059 0.000 2.464 160 S HA 0.203 4.741 4.470 0.113 0.000 0.313 160 S C -1.128 173.553 174.600 0.135 0.000 1.078 160 S CA -1.122 57.134 58.200 0.093 0.000 1.096 160 S CB -0.043 63.193 63.200 0.061 0.000 1.032 160 S HN 0.628 8.843 8.310 0.020 0.107 0.498 161 H N 10.684 129.766 119.070 0.019 0.000 2.680 161 H HA 0.399 5.192 4.556 -0.003 -0.239 0.224 161 H C -0.585 174.742 175.328 -0.002 0.000 1.866 161 H CA -1.899 54.147 56.048 -0.004 0.000 1.302 161 H CB -0.452 29.289 29.762 -0.034 0.000 1.709 161 H HN 0.422 8.834 8.280 0.220 0.000 0.537 162 D N 3.748 124.183 120.400 0.058 0.000 2.106 162 D HA -0.144 4.448 4.640 -0.080 0.000 0.203 162 D C 0.298 176.553 176.300 -0.075 0.000 0.977 162 D CA 1.959 55.938 54.000 -0.034 0.000 0.844 162 D CB 0.402 41.208 40.800 0.010 0.000 1.002 162 D HN -0.446 7.946 8.370 0.120 0.050 0.461 163 T N 3.121 117.692 114.554 0.027 0.000 2.752 163 T HA 0.049 4.389 4.350 -0.016 0.000 0.295 163 T C -1.417 173.321 174.700 0.064 0.000 0.923 163 T CA 1.476 63.593 62.100 0.027 0.000 1.112 163 T CB -0.008 68.891 68.868 0.052 0.000 0.884 163 T HN -0.056 8.237 8.240 0.088 0.000 0.525 164 C N 7.112 126.404 119.300 -0.014 0.000 2.505 164 C HA 0.336 4.988 4.460 0.321 0.000 0.342 164 C C 0.241 175.291 174.990 0.101 0.000 1.121 164 C CA -1.662 57.395 59.018 0.065 0.000 1.306 164 C CB 2.645 30.198 27.740 -0.311 0.000 1.897 164 C HN 0.681 8.890 8.230 -0.035 0.000 0.446 165 M N 5.788 125.471 119.600 0.139 0.000 2.324 165 M HA -0.564 3.947 4.480 0.052 0.000 0.255 165 M C 0.697 177.054 176.300 0.095 0.000 1.088 165 M CA 3.626 58.985 55.300 0.098 0.000 1.048 165 M CB 0.047 32.715 32.600 0.115 0.000 1.383 165 M HN 0.877 9.280 8.290 0.189 0.000 0.418 166 H N -2.625 116.476 119.070 0.053 0.000 2.492 166 H HA -0.263 4.342 4.556 0.082 0.000 0.296 166 H C 1.512 176.857 175.328 0.030 0.000 1.095 166 H CA 2.972 59.057 56.048 0.061 0.000 1.281 166 H CB -0.203 29.608 29.762 0.081 0.000 1.374 166 H HN -0.066 8.276 8.280 0.235 0.079 0.545 167 T N -2.710 111.873 114.554 0.049 0.000 2.983 167 T HA -0.049 4.294 4.350 -0.012 0.000 0.250 167 T C 0.335 175.013 174.700 -0.037 0.000 1.037 167 T CA 0.924 63.026 62.100 0.002 0.000 1.142 167 T CB 1.666 70.551 68.868 0.027 0.000 0.876 167 T HN 0.077 8.191 8.240 0.091 0.181 0.455 168 G N 0.643 109.429 108.800 -0.024 0.000 2.200 168 G HA2 -0.214 3.765 3.960 -0.028 0.000 0.145 168 G HA3 -0.214 3.723 3.960 -0.037 0.000 0.145 168 G C -1.488 173.391 174.900 -0.035 0.000 1.021 168 G CA -0.334 44.747 45.100 -0.031 0.000 0.720 168 G HN -0.359 7.839 8.290 -0.002 0.091 0.494 169 A N -0.226 122.570 122.820 -0.039 0.000 2.346 169 A HA 0.044 4.315 4.320 -0.082 0.000 0.255 169 A C 0.656 178.169 177.584 -0.119 0.000 1.113 169 A CA -0.604 51.383 52.037 -0.084 0.000 0.798 169 A CB 0.533 19.474 19.000 -0.099 0.000 1.073 169 A HN -0.420 7.717 8.150 -0.022 0.000 0.502 170 D N -3.055 117.211 120.400 -0.225 0.000 2.158 170 D HA -0.259 4.326 4.640 -0.092 0.000 0.197 170 D C -0.364 175.837 176.300 -0.164 0.000 0.995 170 D CA 2.119 55.979 54.000 -0.233 0.000 0.846 170 D CB -0.042 40.553 40.800 -0.342 0.000 0.941 170 D HN 0.169 8.392 8.370 -0.245 0.000 0.456 171 H N -7.059 112.029 119.070 0.031 0.000 2.916 171 H HA 0.020 4.600 4.556 0.040 0.000 0.260 171 H C -1.910 173.472 175.328 0.091 0.000 1.502 171 H CA -0.982 55.093 56.048 0.046 0.000 1.171 171 H CB 1.057 30.838 29.762 0.031 0.000 1.885 171 H HN -0.669 7.261 8.280 -0.557 0.016 0.641 172 C N -0.234 119.287 119.300 0.369 0.000 2.401 172 C HA 0.228 5.058 4.460 0.333 -0.170 0.365 172 C C -0.630 174.553 174.990 0.322 0.000 1.250 172 C CA -1.510 57.712 59.018 0.340 0.000 2.131 172 C CB 1.299 29.232 27.740 0.321 0.000 2.445 172 C HN 0.094 8.543 8.230 0.364 0.000 0.550 173 M N 4.272 124.045 119.600 0.288 0.000 2.125 173 M HA 0.352 4.943 4.480 0.185 0.000 0.321 173 M C -2.367 174.033 176.300 0.168 0.000 0.983 173 M CA -0.834 54.591 55.300 0.208 0.000 0.934 173 M CB 2.452 35.154 32.600 0.171 0.000 1.542 173 M HN 0.998 9.389 8.290 0.360 0.115 0.424 174 L N 7.743 129.001 121.223 0.059 0.000 2.337 174 L HA 0.402 4.904 4.340 0.035 -0.141 0.269 174 L C -1.537 175.333 176.870 0.000 0.000 1.018 174 L CA -0.900 53.937 54.840 -0.005 0.000 0.876 174 L CB 0.865 42.855 42.059 -0.115 0.000 1.236 174 L HN 0.653 8.915 8.230 0.053 0.000 0.436 175 I N 4.197 124.779 120.570 0.021 0.000 2.371 175 I HA 0.060 4.236 4.170 0.010 0.000 0.290 175 I C -0.890 175.216 176.117 -0.018 0.000 1.028 175 I CA -2.247 59.060 61.300 0.011 0.000 1.345 175 I CB -0.956 37.059 38.000 0.025 0.000 1.407 175 I HN -0.085 8.153 8.210 0.047 0.000 0.501 176 I N 7.459 128.016 120.570 -0.022 0.000 2.562 176 I HA 0.776 5.118 4.170 -0.092 -0.227 0.301 176 I C -0.848 175.252 176.117 -0.027 0.000 1.003 176 I CA -1.753 59.519 61.300 -0.046 0.000 1.127 176 I CB 3.311 41.306 38.000 -0.009 0.000 1.304 176 I HN 0.159 8.365 8.210 -0.007 0.000 0.446 177 E N 1.942 122.110 120.200 -0.053 0.000 2.331 177 E HA 0.475 4.815 4.350 -0.017 0.000 0.275 177 E C -1.752 174.811 176.600 -0.063 0.000 0.895 177 E CA -1.767 54.612 56.400 -0.035 0.000 0.753 177 E CB 3.684 33.373 29.700 -0.019 0.000 1.216 177 E HN -0.078 8.226 8.360 -0.094 0.000 0.434 178 L N 2.252 123.450 121.223 -0.043 0.000 2.350 178 L HA 0.162 4.442 4.340 -0.101 0.000 0.275 178 L C -0.205 176.642 176.870 -0.038 0.000 1.099 178 L CA -0.630 54.178 54.840 -0.054 0.000 0.808 178 L CB 1.052 43.099 42.059 -0.020 0.000 1.149 178 L HN -0.264 7.954 8.230 -0.020 0.000 0.442 179 Q N 1.598 121.370 119.800 -0.046 0.000 2.369 179 Q HA -0.361 3.964 4.340 -0.025 0.000 0.295 179 Q C -0.638 175.351 176.000 -0.018 0.000 1.075 179 Q CA 0.914 56.699 55.803 -0.030 0.000 0.941 179 Q CB 0.129 28.846 28.738 -0.035 0.000 1.260 179 Q HN -0.169 8.061 8.270 -0.067 0.000 0.417 180 N N -1.083 117.609 118.700 -0.013 0.000 2.727 180 N HA -0.303 4.432 4.740 -0.007 0.000 0.249 180 N C -0.759 174.748 175.510 -0.005 0.000 1.048 180 N CA 0.396 53.441 53.050 -0.008 0.000 0.714 180 N CB -1.040 37.441 38.487 -0.009 0.000 0.959 180 N HN 0.360 8.732 8.380 -0.013 0.000 0.544 181 D N 0.000 120.397 120.400 -0.005 0.000 6.856 181 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 181 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 181 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 181 D HN 0.000 8.361 8.370 -0.007 0.004 0.683