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 1rw5_1_A DATA FIRST_RESID 1 DATA SEQUENCE LPIcPGGAAR cQVTLRDLFD RAVVLSHYIH NLSSEMFSEF DKRYTHGRGF DATA SEQUENCE ITKAINScHT SSLATPEDKE QAQQMNQKDF LSLIVSILRS WNEPLYHLVT DATA SEQUENCE EVRGMQEAPE AILSKAVEIE EQTKRLLEGM ELIVSQVHPE TKENEIYPVW DATA SEQUENCE SGLPSLQMAD EESRLSAYYN LLHcLRRDSH KIDNYLKLLK cRIIHNNNc 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 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1 L C 0.000 176.871 176.870 0.002 0.000 1.165 1 L CA 0.000 54.841 54.840 0.001 0.000 0.813 1 L CB 0.000 42.059 42.059 0.001 0.000 0.961 2 P HA 0.139 4.561 4.420 0.003 0.000 0.268 2 P C -0.749 176.552 177.300 0.003 0.000 1.204 2 P CA -0.448 62.654 63.100 0.002 0.000 0.768 2 P CB 1.149 32.850 31.700 0.002 0.000 0.842 3 I N 0.035 120.607 120.570 0.003 0.000 2.179 3 I HA -0.321 3.851 4.170 0.003 0.000 0.242 3 I C -0.112 176.007 176.117 0.004 0.000 1.088 3 I CA 1.856 63.159 61.300 0.004 0.000 1.357 3 I CB 0.109 38.112 38.000 0.005 0.000 1.051 3 I HN -0.136 8.076 8.210 0.003 0.000 0.409 4 c N 0.299 118.901 118.600 0.004 0.000 2.978 4 c HA 0.295 4.867 4.570 0.004 0.000 0.274 4 c C -2.592 171.500 174.090 0.003 0.000 1.087 4 c CA -2.951 53.380 56.329 0.004 0.000 1.453 4 c CB -1.669 40.844 42.510 0.004 0.000 1.838 4 c HN -0.340 7.893 8.230 0.004 0.000 0.470 5 P HA -0.125 4.296 4.420 0.002 0.000 0.262 5 P C -0.121 177.181 177.300 0.002 0.000 1.182 5 P CA 1.042 64.144 63.100 0.002 0.000 0.761 5 P CB 0.630 32.331 31.700 0.002 0.000 0.795 6 G N 4.578 113.380 108.800 0.002 0.000 2.596 6 G HA2 -0.243 3.718 3.960 0.002 0.000 0.304 6 G HA3 -0.243 3.718 3.960 0.002 0.000 0.304 6 G C -1.160 173.741 174.900 0.002 0.000 1.189 6 G CA -0.219 44.882 45.100 0.002 0.000 0.986 6 G HN 0.310 8.601 8.290 0.002 0.000 0.548 7 G N 1.504 110.305 108.800 0.002 0.000 2.378 7 G HA2 0.056 4.018 3.960 0.003 0.000 0.291 7 G HA3 0.056 4.018 3.960 0.002 0.000 0.291 7 G C -2.023 172.879 174.900 0.003 0.000 1.421 7 G CA 0.102 45.204 45.100 0.002 0.000 1.154 7 G HN -0.022 8.270 8.290 0.002 0.000 0.590 8 A N 2.642 125.464 122.820 0.003 0.000 2.274 8 A HA 0.395 4.716 4.320 0.003 0.000 0.309 8 A C -0.413 177.173 177.584 0.003 0.000 1.226 8 A CA -1.082 50.957 52.037 0.003 0.000 0.853 8 A CB 0.910 19.912 19.000 0.003 0.000 1.146 8 A HN -0.053 8.099 8.150 0.003 0.000 0.518 9 A N 4.316 127.137 122.820 0.003 0.000 1.940 9 A HA -0.271 4.050 4.320 0.003 0.000 0.219 9 A C 1.422 179.008 177.584 0.004 0.000 1.176 9 A CA 1.676 53.715 52.037 0.003 0.000 0.631 9 A CB 0.125 19.126 19.000 0.002 0.000 0.814 9 A HN 0.699 8.851 8.150 0.003 0.000 0.446 10 R N -2.103 118.400 120.500 0.004 0.000 2.055 10 R HA -0.222 4.121 4.340 0.006 0.000 0.226 10 R C 0.384 176.688 176.300 0.006 0.000 1.135 10 R CA 1.040 57.143 56.100 0.005 0.000 0.959 10 R CB 0.274 30.577 30.300 0.006 0.000 0.854 10 R HN -0.153 8.112 8.270 0.004 0.007 0.431 11 c N -3.918 114.685 118.600 0.005 0.000 0.168 11 c HA -0.414 4.159 4.570 0.005 0.000 0.017 11 c C -1.177 172.917 174.090 0.007 0.000 0.171 11 c CA 1.173 57.506 56.329 0.006 0.000 0.499 11 c CB -0.123 42.391 42.510 0.006 0.000 3.212 11 c HN -0.177 8.056 8.230 0.005 0.000 1.118 12 Q N 1.210 121.014 119.800 0.007 0.000 2.306 12 Q HA 0.241 4.586 4.340 0.008 0.000 0.265 12 Q C -1.460 174.547 176.000 0.010 0.000 1.022 12 Q CA -0.342 55.466 55.803 0.008 0.000 0.853 12 Q CB 2.051 30.793 28.738 0.006 0.000 1.327 12 Q HN 0.220 8.494 8.270 0.007 0.000 0.449 13 V N -1.018 118.903 119.914 0.013 0.000 2.735 13 V HA 0.378 4.508 4.120 0.016 0.000 0.310 13 V C -0.667 175.438 176.094 0.018 0.000 1.061 13 V CA -0.989 61.321 62.300 0.017 0.000 0.913 13 V CB 2.287 34.123 31.823 0.021 0.000 1.005 13 V HN -0.012 8.185 8.190 0.012 0.000 0.428 14 T N 6.227 120.794 114.554 0.021 0.000 2.832 14 T HA 0.088 4.444 4.350 0.010 0.000 0.296 14 T C 0.494 175.212 174.700 0.031 0.000 0.968 14 T CA 0.359 62.470 62.100 0.019 0.000 1.107 14 T CB 0.925 69.804 68.868 0.019 0.000 0.916 14 T HN 0.192 8.446 8.240 0.023 0.000 0.517 15 L N 7.789 129.024 121.223 0.020 0.000 2.042 15 L HA -0.396 3.977 4.340 0.055 0.000 0.210 15 L C 1.416 178.330 176.870 0.072 0.000 1.076 15 L CA 3.900 58.761 54.840 0.034 0.000 0.749 15 L CB 0.203 42.255 42.059 -0.011 0.000 0.893 15 L HN 0.688 8.920 8.230 0.004 0.000 0.432 16 R N -1.880 118.641 120.500 0.035 0.000 2.073 16 R HA -0.428 3.959 4.340 0.078 0.000 0.234 16 R C 1.404 177.789 176.300 0.142 0.000 1.134 16 R CA 3.892 60.035 56.100 0.071 0.000 0.952 16 R CB -1.218 29.083 30.300 0.002 0.000 0.850 16 R HN 0.241 8.506 8.270 0.002 0.007 0.433 17 D N -1.625 118.828 120.400 0.089 0.000 2.087 17 D HA -0.260 4.426 4.640 0.077 0.000 0.192 17 D C 2.414 178.766 176.300 0.087 0.000 0.993 17 D CA 3.605 57.652 54.000 0.078 0.000 0.828 17 D CB -0.582 40.248 40.800 0.050 0.000 0.968 17 D HN -0.064 8.271 8.370 0.060 0.071 0.448 18 L N -1.529 119.748 121.223 0.089 0.000 2.046 18 L HA -0.347 4.020 4.340 0.046 0.000 0.208 18 L C 2.080 179.008 176.870 0.098 0.000 1.077 18 L CA 2.825 57.711 54.840 0.076 0.000 0.747 18 L CB -0.341 41.761 42.059 0.072 0.000 0.896 18 L HN -0.552 7.728 8.230 0.083 0.000 0.432 19 F N 1.310 121.270 119.950 0.016 0.000 2.102 19 F HA -0.473 4.071 4.527 0.028 0.000 0.298 19 F C 1.024 176.844 175.800 0.032 0.000 1.105 19 F CA 4.019 62.033 58.000 0.023 0.000 1.239 19 F CB -0.003 39.005 39.000 0.013 0.000 0.991 19 F HN 0.195 8.661 8.300 0.278 0.000 0.474 20 D N -0.746 119.724 120.400 0.115 0.000 2.144 20 D HA -0.303 4.303 4.640 -0.057 0.000 0.199 20 D C 2.906 179.159 176.300 -0.078 0.000 0.984 20 D CA 3.718 57.722 54.000 0.008 0.000 0.834 20 D CB -0.767 40.102 40.800 0.116 0.000 0.955 20 D HN 0.334 8.763 8.370 0.282 0.111 0.465 21 R N -0.625 119.853 120.500 -0.038 0.000 2.090 21 R HA -0.219 4.113 4.340 -0.012 0.000 0.228 21 R C 2.324 178.584 176.300 -0.066 0.000 1.110 21 R CA 3.007 59.089 56.100 -0.029 0.000 0.973 21 R CB -0.069 30.229 30.300 -0.003 0.000 0.869 21 R HN -0.132 8.045 8.270 0.003 0.095 0.440 22 A N -0.060 122.687 122.820 -0.122 0.000 1.969 22 A HA -0.267 4.006 4.320 -0.077 0.000 0.218 22 A C 1.798 179.259 177.584 -0.205 0.000 1.169 22 A CA 3.010 54.962 52.037 -0.141 0.000 0.635 22 A CB -0.592 18.323 19.000 -0.141 0.000 0.810 22 A HN 0.595 8.485 8.150 -0.119 0.188 0.445 23 V N -0.967 118.729 119.914 -0.362 0.000 2.358 23 V HA -0.369 3.574 4.120 -0.295 0.000 0.246 23 V C 2.083 178.189 176.094 0.021 0.000 1.047 23 V CA 3.587 65.713 62.300 -0.291 0.000 1.035 23 V CB -0.506 31.052 31.823 -0.441 0.000 0.658 23 V HN 0.279 7.984 8.190 -0.472 0.202 0.452 24 V N -0.036 119.892 119.914 0.024 0.000 2.488 24 V HA -0.226 4.030 4.120 0.227 0.000 0.246 24 V C 2.308 178.510 176.094 0.180 0.000 1.046 24 V CA 3.186 65.565 62.300 0.132 0.000 1.053 24 V CB -0.274 31.564 31.823 0.025 0.000 0.679 24 V HN -0.552 7.600 8.190 -0.063 0.000 0.458 25 L N -0.207 121.068 121.223 0.086 0.000 2.079 25 L HA -0.424 4.002 4.340 0.144 0.000 0.210 25 L C 1.309 178.234 176.870 0.090 0.000 1.081 25 L CA 3.443 58.337 54.840 0.088 0.000 0.752 25 L CB -0.436 41.630 42.059 0.011 0.000 0.896 25 L HN 0.386 8.520 8.230 0.025 0.111 0.433 26 S N -1.572 114.137 115.700 0.015 0.000 2.399 26 S HA -0.393 4.045 4.470 -0.053 0.000 0.231 26 S C 2.069 176.610 174.600 -0.098 0.000 1.022 26 S CA 3.688 61.836 58.200 -0.087 0.000 0.983 26 S CB -0.233 62.834 63.200 -0.222 0.000 0.803 26 S HN -0.388 7.907 8.310 -0.001 0.015 0.480 27 H N 1.477 120.553 119.070 0.010 0.000 2.428 27 H HA -0.157 4.477 4.556 0.008 -0.073 0.296 27 H C 1.975 177.359 175.328 0.094 0.000 1.062 27 H CA 3.704 59.764 56.048 0.020 0.000 1.350 27 H CB 0.008 29.750 29.762 -0.034 0.000 1.403 27 H HN -0.490 7.777 8.280 0.193 0.129 0.533 28 Y N 0.515 120.887 120.300 0.119 0.000 2.145 28 Y HA -0.404 4.194 4.550 0.079 0.000 0.286 28 Y C 1.550 177.474 175.900 0.040 0.000 1.145 28 Y CA 3.446 61.586 58.100 0.068 0.000 1.148 28 Y CB -0.328 38.151 38.460 0.032 0.000 0.981 28 Y HN -0.886 7.473 8.280 0.322 0.114 0.507 29 I N -1.586 119.144 120.570 0.267 0.000 2.335 29 I HA -0.630 3.613 4.170 0.121 0.000 0.251 29 I C 1.692 177.850 176.117 0.068 0.000 1.129 29 I CA 4.573 65.943 61.300 0.117 0.000 1.402 29 I CB -0.407 37.605 38.000 0.019 0.000 1.069 29 I HN -0.593 7.752 8.210 0.225 0.000 0.424 30 H N 1.444 120.514 119.070 0.000 0.000 2.319 30 H HA -0.442 4.083 4.556 -0.051 0.000 0.299 30 H C 1.969 177.294 175.328 -0.005 0.000 1.092 30 H CA 4.576 60.612 56.048 -0.021 0.000 1.302 30 H CB 0.138 29.897 29.762 -0.005 0.000 1.373 30 H HN -0.585 7.694 8.280 0.191 0.116 0.497 31 N N -0.425 118.316 118.700 0.069 0.000 2.142 31 N HA -0.267 4.461 4.740 -0.020 0.000 0.186 31 N C 2.564 178.059 175.510 -0.025 0.000 1.023 31 N CA 2.962 56.007 53.050 -0.009 0.000 0.852 31 N CB -0.569 37.879 38.487 -0.065 0.000 0.998 31 N HN -0.506 7.887 8.380 0.154 0.079 0.424 32 L N 0.213 121.460 121.223 0.040 0.000 1.976 32 L HA -0.404 3.971 4.340 0.059 0.000 0.209 32 L C 2.401 179.251 176.870 -0.034 0.000 1.071 32 L CA 3.883 58.747 54.840 0.040 0.000 0.746 32 L CB -0.449 41.654 42.059 0.075 0.000 0.890 32 L HN 0.170 8.389 8.230 0.104 0.073 0.432 33 S N -0.972 114.667 115.700 -0.102 0.000 2.382 33 S HA -0.381 4.009 4.470 -0.132 0.000 0.228 33 S C 2.346 176.889 174.600 -0.093 0.000 1.027 33 S CA 3.735 61.843 58.200 -0.153 0.000 0.991 33 S CB -0.317 62.719 63.200 -0.273 0.000 0.823 33 S HN 0.493 8.637 8.310 -0.101 0.106 0.469 34 S N 2.204 117.800 115.700 -0.172 0.000 2.338 34 S HA -0.316 4.113 4.470 -0.069 0.000 0.218 34 S C 1.763 176.357 174.600 -0.010 0.000 1.032 34 S CA 3.307 61.434 58.200 -0.122 0.000 0.999 34 S CB -0.193 62.861 63.200 -0.243 0.000 0.905 34 S HN 0.045 8.127 8.310 -0.245 0.081 0.439 35 E N 1.371 121.562 120.200 -0.015 0.000 2.072 35 E HA -0.326 4.027 4.350 0.005 0.000 0.190 35 E C 2.467 179.098 176.600 0.052 0.000 0.982 35 E CA 2.911 59.319 56.400 0.013 0.000 0.803 35 E CB -0.057 29.650 29.700 0.011 0.000 0.755 35 E HN 0.251 8.476 8.360 -0.039 0.112 0.453 36 M N 0.430 120.066 119.600 0.060 0.000 2.080 36 M HA -0.324 4.211 4.480 0.092 0.000 0.260 36 M C 1.725 178.143 176.300 0.196 0.000 1.068 36 M CA 3.578 58.934 55.300 0.093 0.000 1.109 36 M CB 0.043 32.666 32.600 0.039 0.000 1.342 36 M HN 0.526 8.722 8.290 0.032 0.113 0.405 37 F N -0.412 119.546 119.950 0.015 0.000 2.113 37 F HA -0.262 4.328 4.527 0.104 0.000 0.297 37 F C 1.643 177.549 175.800 0.178 0.000 1.103 37 F CA 1.744 59.791 58.000 0.079 0.000 1.248 37 F CB -0.256 38.741 39.000 -0.005 0.000 0.999 37 F HN -0.282 8.045 8.300 0.223 0.106 0.475 38 S N 1.315 116.943 115.700 -0.121 0.000 2.370 38 S HA -0.472 3.729 4.470 -0.448 0.000 0.226 38 S C 2.157 176.711 174.600 -0.076 0.000 1.033 38 S CA 4.579 62.647 58.200 -0.219 0.000 1.011 38 S CB -0.266 62.880 63.200 -0.090 0.000 0.852 38 S HN 0.350 8.576 8.310 0.039 0.107 0.457 39 E N 0.588 120.809 120.200 0.035 0.000 2.110 39 E HA -0.348 4.021 4.350 0.032 0.000 0.193 39 E C 2.139 178.835 176.600 0.161 0.000 0.988 39 E CA 2.807 59.255 56.400 0.080 0.000 0.804 39 E CB -0.174 29.590 29.700 0.107 0.000 0.745 39 E HN 0.098 8.380 8.360 0.054 0.111 0.458 40 F N 0.001 120.016 119.950 0.108 0.000 2.098 40 F HA -0.264 4.534 4.527 0.451 0.000 0.294 40 F C 1.249 177.181 175.800 0.221 0.000 1.107 40 F CA 3.035 61.201 58.000 0.277 0.000 1.234 40 F CB 0.768 39.954 39.000 0.309 0.000 1.002 40 F HN -0.758 7.639 8.300 0.336 0.105 0.472 41 D N 0.253 120.721 120.400 0.113 0.000 2.133 41 D HA -0.324 4.430 4.640 0.190 0.000 0.195 41 D C 1.730 178.019 176.300 -0.018 0.000 0.997 41 D CA 3.121 57.093 54.000 -0.046 0.000 0.840 41 D CB 0.207 40.691 40.800 -0.526 0.000 0.947 41 D HN 0.520 8.753 8.370 -0.028 0.121 0.452 42 K N -4.426 115.963 120.400 -0.019 0.000 2.487 42 K HA -0.030 4.420 4.320 0.217 0.000 0.192 42 K C 0.810 177.401 176.600 -0.016 0.000 1.027 42 K CA 0.586 56.922 56.287 0.082 0.000 1.054 42 K CB -0.053 32.482 32.500 0.059 0.000 0.824 42 K HN -0.103 8.005 8.250 -0.053 0.111 0.510 43 R N -2.556 117.880 120.500 -0.107 0.000 2.102 43 R HA 0.007 4.163 4.340 -0.306 0.000 0.208 43 R C 1.535 177.536 176.300 -0.498 0.000 1.131 43 R CA 2.168 58.076 56.100 -0.320 0.000 1.054 43 R CB 1.229 31.328 30.300 -0.336 0.000 0.954 43 R HN -0.225 7.797 8.270 -0.069 0.207 0.465 44 Y N -4.703 115.358 120.300 -0.399 0.000 2.436 44 Y HA -0.005 4.429 4.550 -0.194 0.000 0.288 44 Y C -0.025 175.803 175.900 -0.121 0.000 1.112 44 Y CA 1.882 59.780 58.100 -0.336 0.000 1.220 44 Y CB 0.996 39.040 38.460 -0.693 0.000 1.073 44 Y HN -0.044 8.092 8.280 -0.240 0.000 0.552 45 T N -5.566 109.026 114.554 0.063 0.000 3.243 45 T HA 0.022 4.486 4.350 0.190 0.000 0.264 45 T C -0.051 174.690 174.700 0.070 0.000 1.000 45 T CA -1.422 60.757 62.100 0.131 0.000 0.901 45 T CB 0.597 69.563 68.868 0.164 0.000 1.083 45 T HN -0.976 7.254 8.240 -0.017 0.000 0.559 46 H N 4.434 123.480 119.070 -0.040 0.000 3.342 46 H HA -0.283 4.288 4.556 -0.056 -0.049 0.233 46 H C 0.923 176.236 175.328 -0.025 0.000 0.967 46 H CA 1.812 57.830 56.048 -0.051 0.000 1.404 46 H CB -1.372 28.343 29.762 -0.077 0.000 1.560 46 H HN -0.254 8.016 8.280 0.111 0.076 0.510 47 G N 6.513 115.119 108.800 -0.325 0.000 2.305 47 G HA2 -0.461 3.377 3.960 -0.204 0.000 0.287 47 G HA3 -0.461 3.298 3.960 -0.335 0.000 0.287 47 G C -0.306 174.545 174.900 -0.081 0.000 1.036 47 G CA 0.746 45.698 45.100 -0.247 0.000 0.887 47 G HN 0.096 8.221 8.290 -0.275 0.000 0.505 48 R N -0.519 119.978 120.500 -0.005 0.000 2.105 48 R HA -0.271 4.132 4.340 0.105 0.000 0.239 48 R C 1.387 177.763 176.300 0.128 0.000 1.135 48 R CA 1.608 57.783 56.100 0.125 0.000 0.967 48 R CB 0.416 30.913 30.300 0.329 0.000 0.861 48 R HN -0.240 7.922 8.270 -0.025 0.094 0.442 49 G N -3.705 105.127 108.800 0.054 0.000 2.232 49 G HA2 -0.298 3.656 3.960 -0.010 0.000 0.226 49 G HA3 -0.298 3.698 3.960 0.060 0.000 0.226 49 G C -0.337 174.612 174.900 0.081 0.000 0.996 49 G CA -0.182 44.943 45.100 0.043 0.000 0.626 49 G HN 0.219 8.486 8.290 -0.023 0.009 0.509 50 F N -3.953 115.944 119.950 -0.088 0.000 2.717 50 F HA 0.176 4.657 4.527 -0.076 0.000 0.297 50 F C 1.011 176.710 175.800 -0.170 0.000 1.113 50 F CA -0.965 56.975 58.000 -0.100 0.000 1.319 50 F CB 0.809 39.757 39.000 -0.086 0.000 1.097 50 F HN -0.637 7.826 8.300 0.397 0.075 0.595 51 I N -6.527 113.273 120.570 -1.284 0.000 3.444 51 I HA -0.032 3.074 4.170 -1.774 0.000 0.287 51 I C -0.511 175.250 176.117 -0.592 0.000 1.302 51 I CA 0.357 60.826 61.300 -1.384 0.000 1.368 51 I CB -0.812 36.396 38.000 -1.320 0.000 1.048 51 I HN -0.389 7.290 8.210 -0.885 0.000 0.487 52 T N -5.129 109.229 114.554 -0.327 0.000 3.160 52 T HA -0.153 4.139 4.350 -0.096 0.000 0.257 52 T C 0.198 174.847 174.700 -0.085 0.000 1.147 52 T CA 0.418 62.436 62.100 -0.137 0.000 1.064 52 T CB -0.276 68.539 68.868 -0.088 0.000 0.949 52 T HN -0.482 7.491 8.240 -0.317 0.077 0.526 53 K N 2.329 122.661 120.400 -0.113 0.000 2.350 53 K HA -0.070 4.239 4.320 -0.017 0.000 0.279 53 K C -0.310 176.301 176.600 0.018 0.000 1.027 53 K CA -0.231 56.037 56.287 -0.033 0.000 0.969 53 K CB 0.613 33.097 32.500 -0.026 0.000 0.954 53 K HN -0.828 7.212 8.250 -0.222 0.076 0.474 54 A N 4.996 127.833 122.820 0.028 0.000 2.770 54 A HA -0.098 4.249 4.320 0.044 0.000 0.292 54 A C -1.190 176.434 177.584 0.066 0.000 1.604 54 A CA 0.214 52.279 52.037 0.046 0.000 1.271 54 A CB -0.706 18.319 19.000 0.041 0.000 1.075 54 A HN 0.399 8.561 8.150 0.020 0.000 0.573 55 I N 2.755 123.383 120.570 0.096 0.000 2.355 55 I HA 0.009 4.234 4.170 0.091 0.000 0.288 55 I C -1.055 175.132 176.117 0.117 0.000 0.999 55 I CA -1.131 60.240 61.300 0.118 0.000 1.163 55 I CB -0.383 37.734 38.000 0.196 0.000 1.316 55 I HN -0.255 8.004 8.210 0.101 0.012 0.454 56 N N 6.780 125.539 118.700 0.100 0.000 2.687 56 N HA 0.251 5.076 4.740 0.142 0.000 0.275 56 N C -0.698 174.845 175.510 0.055 0.000 1.789 56 N CA -0.063 53.051 53.050 0.106 0.000 0.806 56 N CB 0.055 38.608 38.487 0.110 0.000 1.256 56 N HN 0.390 8.817 8.380 0.078 0.000 0.500 57 S N 1.334 117.050 115.700 0.027 0.000 2.359 57 S HA -0.212 4.234 4.470 -0.041 0.000 0.223 57 S C -0.287 174.267 174.600 -0.077 0.000 1.039 57 S CA 2.221 60.387 58.200 -0.056 0.000 1.042 57 S CB 0.316 63.436 63.200 -0.134 0.000 0.915 57 S HN -0.101 8.238 8.310 0.048 0.000 0.439 58 c N -0.603 117.981 118.600 -0.026 0.000 2.091 58 c HA -0.200 4.519 4.570 0.247 0.000 0.237 58 c C 0.745 174.813 174.090 -0.037 0.000 0.957 58 c CA -0.364 56.011 56.329 0.078 0.000 2.999 58 c CB -1.727 40.853 42.510 0.116 0.000 1.741 58 c HN 0.348 8.591 8.230 0.020 0.000 0.308 59 H N 4.886 123.973 119.070 0.028 0.000 2.387 59 H HA -0.329 4.237 4.556 0.016 0.000 0.299 59 H C 1.929 177.230 175.328 -0.045 0.000 1.099 59 H CA 3.421 59.455 56.048 -0.022 0.000 1.315 59 H CB 0.277 30.005 29.762 -0.057 0.000 1.380 59 H HN 0.534 8.820 8.280 0.010 0.000 0.513 60 T N -3.888 110.685 114.554 0.031 0.000 3.007 60 T HA -0.326 4.028 4.350 0.007 0.000 0.270 60 T C 1.526 176.265 174.700 0.066 0.000 1.107 60 T CA 2.920 65.036 62.100 0.025 0.000 1.118 60 T CB -0.827 68.061 68.868 0.033 0.000 0.889 60 T HN 0.186 8.410 8.240 -0.007 0.012 0.506 61 S N 3.103 118.845 115.700 0.070 0.000 2.400 61 S HA -0.308 4.210 4.470 0.080 0.000 0.232 61 S C 1.309 175.940 174.600 0.051 0.000 1.025 61 S CA 3.342 61.581 58.200 0.064 0.000 0.993 61 S CB -0.292 62.937 63.200 0.049 0.000 0.808 61 S HN 0.033 8.203 8.310 0.068 0.181 0.478 62 S N 0.568 116.295 115.700 0.044 0.000 2.469 62 S HA -0.177 4.314 4.470 0.034 0.000 0.238 62 S C 0.905 175.525 174.600 0.035 0.000 0.998 62 S CA 1.594 59.816 58.200 0.038 0.000 0.957 62 S CB 0.072 63.296 63.200 0.040 0.000 0.764 62 S HN -0.560 7.757 8.310 0.046 0.020 0.514 63 L N 2.141 123.387 121.223 0.038 0.000 2.483 63 L HA -0.041 4.311 4.340 0.020 0.000 0.276 63 L C 1.099 177.987 176.870 0.029 0.000 1.213 63 L CA 0.439 55.296 54.840 0.029 0.000 0.843 63 L CB 0.269 42.346 42.059 0.031 0.000 1.107 63 L HN -0.264 7.811 8.230 0.045 0.182 0.487 64 A N 2.618 125.450 122.820 0.019 0.000 3.046 64 A HA -0.061 4.278 4.320 0.032 0.000 0.259 64 A C -0.777 176.824 177.584 0.029 0.000 1.843 64 A CA 0.036 52.089 52.037 0.025 0.000 1.451 64 A CB -1.902 17.109 19.000 0.018 0.000 1.025 64 A HN 0.262 8.418 8.150 0.011 0.000 0.625 65 T N 0.904 115.482 114.554 0.041 0.000 2.899 65 T HA 0.193 4.523 4.350 -0.033 0.000 0.284 65 T C -1.625 173.137 174.700 0.103 0.000 1.004 65 T CA -2.739 59.386 62.100 0.041 0.000 1.043 65 T CB 0.420 69.344 68.868 0.094 0.000 1.013 65 T HN -0.252 7.956 8.240 0.050 0.062 0.518 66 P HA -0.071 4.459 4.420 0.184 0.000 0.263 66 P C -0.531 176.875 177.300 0.176 0.000 1.195 66 P CA -0.009 63.221 63.100 0.217 0.000 0.762 66 P CB 0.371 32.295 31.700 0.373 0.000 0.799 67 E N 2.311 122.589 120.200 0.131 0.000 2.106 67 E HA -0.321 4.088 4.350 0.099 0.000 0.192 67 E C -0.613 176.052 176.600 0.109 0.000 0.984 67 E CA 2.019 58.481 56.400 0.104 0.000 0.806 67 E CB 0.419 30.166 29.700 0.078 0.000 0.750 67 E HN 0.076 8.754 8.360 0.119 -0.246 0.458 68 D N -6.923 113.550 120.400 0.122 0.000 2.692 68 D HA 0.120 4.828 4.640 0.113 0.000 0.303 68 D C -0.484 175.900 176.300 0.138 0.000 1.278 68 D CA -1.486 52.582 54.000 0.114 0.000 0.852 68 D CB 1.324 42.173 40.800 0.082 0.000 1.375 68 D HN -0.901 7.536 8.370 0.130 0.011 0.453 69 K N -0.720 119.754 120.400 0.123 0.000 2.103 69 K HA -0.331 4.098 4.320 0.182 0.000 0.207 69 K C 2.149 178.812 176.600 0.105 0.000 1.048 69 K CA 3.901 60.268 56.287 0.133 0.000 0.930 69 K CB -0.026 32.536 32.500 0.103 0.000 0.716 69 K HN 0.244 8.556 8.250 0.102 0.000 0.444 70 E N -0.662 119.586 120.200 0.080 0.000 2.077 70 E HA -0.340 4.039 4.350 0.049 0.000 0.193 70 E C 2.455 179.088 176.600 0.056 0.000 0.989 70 E CA 3.262 59.696 56.400 0.057 0.000 0.800 70 E CB -0.412 29.316 29.700 0.047 0.000 0.746 70 E HN 0.203 8.597 8.360 0.077 0.012 0.452 71 Q N 0.273 120.117 119.800 0.073 0.000 2.119 71 Q HA -0.254 4.320 4.340 0.046 -0.206 0.201 71 Q C 2.123 178.167 176.000 0.074 0.000 0.972 71 Q CA 2.653 58.497 55.803 0.069 0.000 0.847 71 Q CB 0.171 28.960 28.738 0.084 0.000 0.903 71 Q HN 0.353 9.113 8.270 0.083 -0.440 0.433 72 A N -0.416 122.482 122.820 0.129 0.000 1.908 72 A HA -0.341 4.079 4.320 0.167 0.000 0.218 72 A C 1.544 179.088 177.584 -0.066 0.000 1.181 72 A CA 3.024 55.139 52.037 0.130 0.000 0.627 72 A CB -0.942 18.273 19.000 0.358 0.000 0.818 72 A HN -0.038 8.129 8.150 0.154 0.076 0.445 73 Q N -1.795 117.996 119.800 -0.015 0.000 2.124 73 Q HA -0.340 3.946 4.340 -0.090 0.000 0.202 73 Q C 2.536 178.498 176.000 -0.063 0.000 0.977 73 Q CA 2.599 58.371 55.803 -0.051 0.000 0.850 73 Q CB -0.019 28.715 28.738 -0.008 0.000 0.901 73 Q HN -0.404 7.889 8.270 0.040 0.001 0.429 74 Q N -2.129 117.653 119.800 -0.031 0.000 2.170 74 Q HA -0.294 4.031 4.340 -0.026 0.000 0.203 74 Q C 1.825 177.794 176.000 -0.051 0.000 0.976 74 Q CA 2.192 57.979 55.803 -0.027 0.000 0.858 74 Q CB 0.381 29.118 28.738 -0.002 0.000 0.907 74 Q HN -0.504 7.664 8.270 -0.006 0.099 0.433 75 M N -1.604 117.950 119.600 -0.076 0.000 2.334 75 M HA -0.257 4.192 4.480 -0.052 0.000 0.265 75 M C 0.762 176.970 176.300 -0.153 0.000 1.085 75 M CA 3.401 58.638 55.300 -0.105 0.000 1.093 75 M CB 0.712 33.231 32.600 -0.135 0.000 1.237 75 M HN 0.054 8.084 8.290 -0.066 0.221 0.457 76 N N -2.198 116.333 118.700 -0.282 0.000 2.727 76 N HA -0.285 4.276 4.740 -0.300 0.000 0.249 76 N C -1.793 173.650 175.510 -0.112 0.000 1.048 76 N CA 1.099 54.018 53.050 -0.218 0.000 0.714 76 N CB -0.838 37.572 38.487 -0.129 0.000 0.959 76 N HN -0.276 7.833 8.380 -0.451 0.000 0.544 77 Q N -3.340 116.397 119.800 -0.105 0.000 2.605 77 Q HA 0.188 4.561 4.340 0.055 0.000 0.296 77 Q C 0.187 176.225 176.000 0.064 0.000 1.056 77 Q CA -2.176 53.628 55.803 0.002 0.000 0.778 77 Q CB 3.285 32.008 28.738 -0.026 0.000 1.497 77 Q HN -0.350 7.798 8.270 -0.196 0.004 0.443 78 K N 1.694 122.115 120.400 0.034 0.000 2.360 78 K HA -0.397 4.084 4.320 0.270 0.000 0.201 78 K C 0.851 177.499 176.600 0.081 0.000 1.046 78 K CA 2.411 58.735 56.287 0.061 0.000 0.940 78 K CB -0.227 32.153 32.500 -0.199 0.000 0.748 78 K HN 0.435 8.643 8.250 -0.069 0.000 0.465 79 D N -0.676 119.759 120.400 0.059 0.000 2.172 79 D HA -0.311 4.348 4.640 0.032 0.000 0.196 79 D C 1.848 178.230 176.300 0.137 0.000 0.999 79 D CA 3.436 57.480 54.000 0.074 0.000 0.856 79 D CB -0.963 39.881 40.800 0.072 0.000 0.934 79 D HN 0.107 8.443 8.370 0.027 0.050 0.453 80 F N -0.186 119.710 119.950 -0.090 0.000 2.069 80 F HA -0.377 3.955 4.527 -0.324 0.000 0.298 80 F C 1.986 177.722 175.800 -0.107 0.000 1.113 80 F CA 3.567 61.466 58.000 -0.168 0.000 1.214 80 F CB -0.386 38.559 39.000 -0.092 0.000 0.978 80 F HN -0.608 7.867 8.300 0.314 0.013 0.474 81 L N -2.050 119.278 121.223 0.176 0.000 2.042 81 L HA -0.474 3.929 4.340 0.105 0.000 0.210 81 L C 2.348 179.248 176.870 0.049 0.000 1.076 81 L CA 3.279 58.185 54.840 0.110 0.000 0.749 81 L CB -0.470 41.676 42.059 0.146 0.000 0.893 81 L HN -0.667 7.709 8.230 0.243 0.000 0.432 82 S N -0.291 115.433 115.700 0.039 0.000 2.383 82 S HA -0.329 4.154 4.470 0.021 0.000 0.227 82 S C 2.135 176.728 174.600 -0.012 0.000 1.026 82 S CA 3.728 61.936 58.200 0.013 0.000 0.981 82 S CB 0.077 63.279 63.200 0.002 0.000 0.818 82 S HN -0.263 8.082 8.310 0.059 0.000 0.472 83 L N 1.890 123.077 121.223 -0.060 0.000 2.046 83 L HA -0.351 3.955 4.340 -0.055 0.000 0.208 83 L C 1.943 178.768 176.870 -0.075 0.000 1.077 83 L CA 3.535 58.309 54.840 -0.110 0.000 0.747 83 L CB -0.336 41.552 42.059 -0.284 0.000 0.896 83 L HN 0.497 8.575 8.230 -0.056 0.118 0.432 84 I N -0.869 119.646 120.570 -0.091 0.000 2.163 84 I HA -0.658 3.547 4.170 0.060 0.000 0.243 84 I C 1.953 178.098 176.117 0.046 0.000 1.085 84 I CA 4.669 65.975 61.300 0.011 0.000 1.347 84 I CB -0.389 37.627 38.000 0.026 0.000 1.044 84 I HN -0.274 7.852 8.210 -0.141 0.000 0.408 85 V N 0.257 120.198 119.914 0.044 0.000 2.332 85 V HA -0.663 3.496 4.120 0.066 0.000 0.248 85 V C 1.873 178.027 176.094 0.099 0.000 1.055 85 V CA 5.120 67.461 62.300 0.069 0.000 1.038 85 V CB -0.242 31.623 31.823 0.069 0.000 0.651 85 V HN -0.499 7.709 8.190 0.031 0.000 0.450 86 S N 0.640 116.393 115.700 0.088 0.000 2.368 86 S HA -0.351 4.332 4.470 0.225 -0.077 0.225 86 S C 2.255 176.908 174.600 0.088 0.000 1.030 86 S CA 3.920 62.194 58.200 0.122 0.000 0.999 86 S CB -0.125 63.114 63.200 0.064 0.000 0.844 86 S HN -0.393 7.949 8.310 0.054 0.000 0.459 87 I N 2.178 122.795 120.570 0.078 0.000 2.163 87 I HA -0.540 3.664 4.170 0.056 0.000 0.240 87 I C 1.437 177.634 176.117 0.133 0.000 1.081 87 I CA 4.288 65.652 61.300 0.106 0.000 1.353 87 I CB -0.153 37.949 38.000 0.170 0.000 1.054 87 I HN -0.122 8.131 8.210 0.071 0.000 0.407 88 L N -1.947 119.347 121.223 0.119 0.000 2.042 88 L HA -0.466 3.973 4.340 0.166 0.000 0.210 88 L C 2.524 179.412 176.870 0.030 0.000 1.076 88 L CA 3.200 58.103 54.840 0.104 0.000 0.749 88 L CB -0.642 41.452 42.059 0.059 0.000 0.893 88 L HN -0.178 8.114 8.230 0.102 0.000 0.432 89 R N -3.081 117.400 120.500 -0.031 0.000 2.115 89 R HA -0.352 3.867 4.340 -0.202 0.000 0.226 89 R C 2.863 178.956 176.300 -0.345 0.000 1.100 89 R CA 3.074 59.047 56.100 -0.213 0.000 0.980 89 R CB -0.232 29.922 30.300 -0.243 0.000 0.875 89 R HN -0.150 8.133 8.270 0.022 0.000 0.445 90 S N 1.150 116.694 115.700 -0.260 0.000 2.383 90 S HA -0.199 4.039 4.470 -0.386 0.000 0.229 90 S C 1.212 175.480 174.600 -0.553 0.000 1.030 90 S CA 3.033 60.984 58.200 -0.415 0.000 1.002 90 S CB -0.233 62.702 63.200 -0.443 0.000 0.829 90 S HN -0.153 7.998 8.310 -0.126 0.083 0.467 91 W N -1.626 119.566 121.300 -0.179 0.000 2.905 91 W HA 0.052 4.558 4.660 -0.256 0.000 0.251 91 W C 0.633 177.012 176.519 -0.234 0.000 1.305 91 W CA 0.307 57.527 57.345 -0.208 0.000 1.465 91 W CB -0.016 29.360 29.460 -0.140 0.000 1.122 91 W HN -0.645 7.463 8.180 -0.102 0.011 0.659 92 N N 0.304 118.963 118.700 -0.068 0.000 2.149 92 N HA -0.403 4.308 4.740 -0.047 0.000 0.188 92 N C 1.380 176.803 175.510 -0.145 0.000 1.019 92 N CA 4.123 57.110 53.050 -0.105 0.000 0.857 92 N CB 0.035 38.419 38.487 -0.172 0.000 0.997 92 N HN -0.278 7.845 8.380 -0.128 0.180 0.426 93 E N -0.276 119.774 120.200 -0.250 0.000 2.021 93 E HA -0.094 4.131 4.350 -0.210 0.000 0.189 93 E C -0.576 175.853 176.600 -0.286 0.000 0.980 93 E CA 4.675 60.916 56.400 -0.265 0.000 0.803 93 E CB -1.411 28.112 29.700 -0.294 0.000 0.766 93 E HN -0.327 7.839 8.360 -0.312 0.007 0.449 94 P HA -0.250 3.512 4.420 -1.096 0.000 0.217 94 P C 1.353 178.589 177.300 -0.107 0.000 1.151 94 P CA 3.024 65.771 63.100 -0.588 0.000 0.849 94 P CB -0.241 31.234 31.700 -0.375 0.000 0.787 95 L N -4.606 116.591 121.223 -0.044 0.000 2.093 95 L HA -0.346 3.950 4.340 -0.075 0.000 0.208 95 L C 1.780 178.604 176.870 -0.075 0.000 1.085 95 L CA 2.799 57.608 54.840 -0.053 0.000 0.755 95 L CB -0.510 41.524 42.059 -0.042 0.000 0.904 95 L HN -0.187 8.010 8.230 -0.034 0.013 0.435 96 Y N 0.172 120.353 120.300 -0.199 0.000 2.097 96 Y HA -0.504 4.056 4.550 -0.196 -0.128 0.282 96 Y C 1.931 177.671 175.900 -0.267 0.000 1.152 96 Y CA 3.491 61.433 58.100 -0.264 0.000 1.136 96 Y CB -0.254 37.977 38.460 -0.381 0.000 0.975 96 Y HN -0.393 7.784 8.280 0.013 0.111 0.498 97 H N -1.098 118.012 119.070 0.066 0.000 2.353 97 H HA -0.218 4.369 4.556 0.052 0.000 0.300 97 H C 2.687 177.944 175.328 -0.117 0.000 1.090 97 H CA 4.186 60.265 56.048 0.052 0.000 1.327 97 H CB -0.004 29.911 29.762 0.255 0.000 1.383 97 H HN -0.620 7.650 8.280 -0.018 0.000 0.508 98 L N -1.111 120.078 121.223 -0.057 0.000 2.043 98 L HA -0.401 3.643 4.340 -0.494 0.000 0.212 98 L C 2.475 179.179 176.870 -0.278 0.000 1.075 98 L CA 3.305 57.970 54.840 -0.292 0.000 0.752 98 L CB -0.372 41.515 42.059 -0.287 0.000 0.891 98 L HN -0.221 8.015 8.230 0.010 0.000 0.432 99 V N -1.053 118.705 119.914 -0.260 0.000 2.358 99 V HA -0.429 3.572 4.120 -0.199 0.000 0.246 99 V C 2.151 178.087 176.094 -0.263 0.000 1.047 99 V CA 4.533 66.680 62.300 -0.255 0.000 1.035 99 V CB -0.631 31.023 31.823 -0.282 0.000 0.658 99 V HN 0.162 8.194 8.190 -0.257 0.004 0.452 100 T N 1.642 115.983 114.554 -0.354 0.000 2.674 100 T HA -0.425 3.772 4.350 -0.253 0.000 0.265 100 T C 2.203 176.842 174.700 -0.103 0.000 1.039 100 T CA 4.896 66.839 62.100 -0.262 0.000 1.150 100 T CB -0.281 68.405 68.868 -0.303 0.000 0.864 100 T HN 0.102 7.992 8.240 -0.467 0.070 0.427 101 E N 0.836 121.001 120.200 -0.057 0.000 2.072 101 E HA -0.255 4.132 4.350 0.061 0.000 0.191 101 E C 2.260 178.848 176.600 -0.019 0.000 0.985 101 E CA 2.551 58.963 56.400 0.020 0.000 0.801 101 E CB -0.340 29.426 29.700 0.110 0.000 0.750 101 E HN 0.047 8.366 8.360 -0.070 0.000 0.452 102 V N -1.210 118.640 119.914 -0.106 0.000 2.427 102 V HA -0.429 3.678 4.120 -0.022 0.000 0.248 102 V C 2.663 178.744 176.094 -0.022 0.000 1.051 102 V CA 3.758 66.018 62.300 -0.067 0.000 1.048 102 V CB -0.022 31.731 31.823 -0.117 0.000 0.666 102 V HN -0.060 8.026 8.190 -0.173 0.000 0.456 103 R N 0.935 121.404 120.500 -0.051 0.000 2.105 103 R HA -0.274 4.051 4.340 -0.025 0.000 0.239 103 R C 1.755 178.055 176.300 -0.001 0.000 1.135 103 R CA 3.026 59.106 56.100 -0.033 0.000 0.967 103 R CB -0.169 30.093 30.300 -0.063 0.000 0.861 103 R HN 0.182 8.289 8.270 -0.090 0.109 0.442 104 G N -3.750 105.056 108.800 0.010 0.000 3.141 104 G HA2 0.097 4.075 3.960 0.029 0.000 0.218 104 G HA3 0.097 4.079 3.960 0.036 0.000 0.218 104 G C -1.321 173.614 174.900 0.060 0.000 1.170 104 G CA -0.734 44.386 45.100 0.034 0.000 0.769 104 G HN -0.547 7.735 8.290 -0.002 0.008 0.546 105 M N 1.190 120.833 119.600 0.071 0.000 2.156 105 M HA -0.016 4.537 4.480 0.123 0.000 0.345 105 M C -0.487 175.885 176.300 0.120 0.000 1.398 105 M CA -0.271 55.098 55.300 0.116 0.000 1.148 105 M CB 0.497 33.181 32.600 0.140 0.000 1.663 105 M HN -0.477 7.627 8.290 0.052 0.217 0.464 106 Q N 5.807 125.675 119.800 0.113 0.000 2.084 106 Q HA -0.353 4.030 4.340 0.073 0.000 0.202 106 Q C 1.105 177.173 176.000 0.113 0.000 0.978 106 Q CA 3.176 59.034 55.803 0.092 0.000 0.844 106 Q CB 0.067 28.849 28.738 0.074 0.000 0.898 106 Q HN 0.424 8.761 8.270 0.111 0.000 0.426 107 E N -2.956 117.347 120.200 0.171 0.000 2.150 107 E HA -0.136 4.263 4.350 0.082 0.000 0.193 107 E C -0.350 176.402 176.600 0.253 0.000 0.985 107 E CA 1.698 58.208 56.400 0.184 0.000 0.814 107 E CB -0.162 29.697 29.700 0.265 0.000 0.752 107 E HN 0.129 8.601 8.360 0.196 0.006 0.466 108 A N -1.553 121.453 122.820 0.309 0.000 3.159 108 A HA 0.441 4.899 4.320 0.229 0.000 0.330 108 A C -2.666 175.004 177.584 0.143 0.000 1.032 108 A CA -2.720 49.477 52.037 0.266 0.000 0.841 108 A CB -0.474 18.747 19.000 0.368 0.000 1.093 108 A HN -0.322 7.872 8.150 0.283 0.126 0.478 109 P HA 0.113 4.738 4.420 0.052 -0.174 0.212 109 P C 0.575 177.898 177.300 0.039 0.000 1.163 109 P CA 1.215 64.350 63.100 0.058 0.000 0.892 109 P CB 1.207 32.936 31.700 0.049 0.000 0.766 110 E N -1.971 118.253 120.200 0.039 0.000 2.399 110 E HA 0.018 4.377 4.350 0.016 0.000 0.205 110 E C 1.175 177.796 176.600 0.034 0.000 0.906 110 E CA 1.274 57.690 56.400 0.026 0.000 0.998 110 E CB -0.148 29.563 29.700 0.019 0.000 1.002 110 E HN 0.246 8.633 8.360 0.045 0.000 0.501 111 A N 0.664 123.514 122.820 0.050 0.000 1.829 111 A HA -0.282 4.063 4.320 0.042 0.000 0.216 111 A C 1.440 179.064 177.584 0.068 0.000 1.207 111 A CA 3.213 55.284 52.037 0.057 0.000 0.622 111 A CB -0.456 18.586 19.000 0.069 0.000 0.846 111 A HN 0.283 8.466 8.150 0.055 0.000 0.447 112 I N -3.910 116.720 120.570 0.100 0.000 2.546 112 I HA -0.328 3.901 4.170 0.099 0.000 0.255 112 I C 1.941 178.081 176.117 0.038 0.000 1.163 112 I CA 2.061 63.421 61.300 0.101 0.000 1.457 112 I CB -0.083 38.023 38.000 0.178 0.000 1.092 112 I HN 0.019 8.305 8.210 0.127 0.000 0.434 113 L N 0.631 121.868 121.223 0.023 0.000 2.131 113 L HA -0.393 3.921 4.340 -0.043 0.000 0.210 113 L C 1.202 178.062 176.870 -0.016 0.000 1.092 113 L CA 3.430 58.260 54.840 -0.016 0.000 0.759 113 L CB -0.471 41.579 42.059 -0.015 0.000 0.903 113 L HN -0.207 8.024 8.230 0.043 0.025 0.435 114 S N -0.580 115.122 115.700 0.003 0.000 2.370 114 S HA -0.385 4.082 4.470 -0.005 0.000 0.226 114 S C 1.798 176.400 174.600 0.003 0.000 1.033 114 S CA 3.998 62.200 58.200 0.004 0.000 1.011 114 S CB -0.399 62.812 63.200 0.017 0.000 0.852 114 S HN -0.040 8.265 8.310 0.016 0.015 0.457 115 K N 0.474 120.881 120.400 0.012 0.000 2.167 115 K HA -0.042 4.547 4.320 0.028 -0.252 0.203 115 K C 2.031 178.619 176.600 -0.021 0.000 1.052 115 K CA 1.707 58.002 56.287 0.014 0.000 0.956 115 K CB -0.381 32.136 32.500 0.029 0.000 0.735 115 K HN -0.751 7.507 8.250 0.019 0.004 0.451 116 A N 0.327 123.123 122.820 -0.040 0.000 1.930 116 A HA -0.177 4.091 4.320 -0.087 0.000 0.217 116 A C 1.882 179.418 177.584 -0.082 0.000 1.175 116 A CA 3.064 55.054 52.037 -0.079 0.000 0.627 116 A CB -0.715 18.220 19.000 -0.108 0.000 0.815 116 A HN -0.113 7.941 8.150 -0.028 0.078 0.443 117 V N -1.298 118.574 119.914 -0.069 0.000 2.453 117 V HA -0.322 3.747 4.120 -0.085 0.000 0.247 117 V C 1.208 177.263 176.094 -0.066 0.000 1.048 117 V CA 3.275 65.532 62.300 -0.071 0.000 1.049 117 V CB -0.037 31.751 31.823 -0.059 0.000 0.672 117 V HN 0.223 8.380 8.190 -0.056 0.000 0.457 118 E N -1.368 118.796 120.200 -0.060 0.000 2.230 118 E HA -0.116 4.179 4.350 -0.092 0.000 0.192 118 E C 2.141 178.687 176.600 -0.091 0.000 0.987 118 E CA 2.246 58.597 56.400 -0.081 0.000 0.841 118 E CB -0.455 29.200 29.700 -0.075 0.000 0.783 118 E HN -0.806 7.526 8.360 -0.047 0.000 0.481 119 I N 2.049 122.580 120.570 -0.066 0.000 2.315 119 I HA -0.402 3.734 4.170 -0.058 0.000 0.248 119 I C 0.971 177.044 176.117 -0.074 0.000 1.117 119 I CA 3.471 64.732 61.300 -0.066 0.000 1.404 119 I CB 0.363 38.322 38.000 -0.068 0.000 1.071 119 I HN 0.328 8.405 8.210 -0.056 0.099 0.419 120 E N -0.415 119.741 120.200 -0.072 0.000 2.150 120 E HA -0.363 3.957 4.350 -0.049 0.000 0.193 120 E C 2.059 178.626 176.600 -0.056 0.000 0.985 120 E CA 2.879 59.244 56.400 -0.058 0.000 0.814 120 E CB -0.143 29.523 29.700 -0.056 0.000 0.752 120 E HN -0.686 7.629 8.360 -0.076 0.000 0.466 121 E N -0.826 119.333 120.200 -0.067 0.000 2.072 121 E HA -0.310 4.007 4.350 -0.055 0.000 0.190 121 E C 2.546 179.099 176.600 -0.079 0.000 0.982 121 E CA 2.681 59.040 56.400 -0.069 0.000 0.803 121 E CB 0.069 29.723 29.700 -0.077 0.000 0.755 121 E HN -0.739 7.469 8.360 -0.074 0.107 0.453 122 Q N -2.086 117.652 119.800 -0.104 0.000 2.167 122 Q HA -0.262 4.009 4.340 -0.116 0.000 0.202 122 Q C 2.584 178.545 176.000 -0.065 0.000 0.970 122 Q CA 3.016 58.752 55.803 -0.111 0.000 0.855 122 Q CB 0.063 28.702 28.738 -0.166 0.000 0.911 122 Q HN -0.267 7.934 8.270 -0.114 0.000 0.438 123 T N -1.932 112.591 114.554 -0.051 0.000 2.833 123 T HA -0.334 4.004 4.350 -0.021 0.000 0.269 123 T C 1.701 176.388 174.700 -0.021 0.000 1.054 123 T CA 3.902 65.987 62.100 -0.026 0.000 1.135 123 T CB -0.523 68.337 68.868 -0.013 0.000 0.869 123 T HN -0.360 7.826 8.240 -0.060 0.018 0.466 124 K N 0.902 121.284 120.400 -0.031 0.000 2.155 124 K HA -0.218 4.088 4.320 -0.023 0.000 0.203 124 K C 2.184 178.770 176.600 -0.023 0.000 1.052 124 K CA 2.927 59.198 56.287 -0.027 0.000 0.948 124 K CB -0.403 32.077 32.500 -0.034 0.000 0.728 124 K HN -0.805 7.406 8.250 -0.040 0.015 0.448 125 R N -0.350 120.130 120.500 -0.032 0.000 2.083 125 R HA -0.318 4.008 4.340 -0.023 0.000 0.237 125 R C 2.255 178.545 176.300 -0.017 0.000 1.137 125 R CA 3.582 59.665 56.100 -0.028 0.000 0.951 125 R CB -0.235 30.038 30.300 -0.044 0.000 0.851 125 R HN -0.784 7.345 8.270 -0.042 0.116 0.434 126 L N -0.824 120.388 121.223 -0.018 0.000 2.079 126 L HA -0.393 3.937 4.340 -0.016 0.000 0.210 126 L C 1.644 178.517 176.870 0.006 0.000 1.081 126 L CA 3.030 57.864 54.840 -0.011 0.000 0.752 126 L CB -0.336 41.715 42.059 -0.012 0.000 0.896 126 L HN -0.504 7.712 8.230 -0.025 0.000 0.433 127 L N -1.613 119.614 121.223 0.007 0.000 2.012 127 L HA -0.471 3.886 4.340 0.028 0.000 0.210 127 L C 1.736 178.619 176.870 0.022 0.000 1.073 127 L CA 3.758 58.609 54.840 0.018 0.000 0.748 127 L CB -1.414 40.651 42.059 0.010 0.000 0.891 127 L HN -0.480 7.635 8.230 -0.001 0.114 0.431 128 E N -0.994 119.214 120.200 0.013 0.000 2.072 128 E HA -0.338 4.024 4.350 0.021 0.000 0.191 128 E C 2.386 179.002 176.600 0.026 0.000 0.985 128 E CA 3.009 59.420 56.400 0.018 0.000 0.801 128 E CB -0.435 29.270 29.700 0.009 0.000 0.750 128 E HN -0.576 7.787 8.360 0.005 0.000 0.452 129 G N -1.298 107.515 108.800 0.023 0.000 2.442 129 G HA2 -0.312 3.672 3.960 0.040 0.000 0.219 129 G HA3 -0.312 3.661 3.960 0.021 0.000 0.219 129 G C 1.958 176.893 174.900 0.059 0.000 1.141 129 G CA 2.198 47.319 45.100 0.035 0.000 0.763 129 G HN -0.052 8.245 8.290 0.012 0.000 0.554 130 M N 1.458 121.090 119.600 0.053 0.000 2.193 130 M HA -0.152 4.388 4.480 0.100 0.000 0.265 130 M C 2.000 178.342 176.300 0.071 0.000 1.071 130 M CA 1.547 56.891 55.300 0.074 0.000 1.140 130 M CB -0.738 31.899 32.600 0.062 0.000 1.369 130 M HN 0.290 8.401 8.290 0.037 0.202 0.423 131 E N 0.142 120.375 120.200 0.055 0.000 2.153 131 E HA -0.323 4.059 4.350 0.054 0.000 0.194 131 E C 2.953 179.584 176.600 0.051 0.000 0.988 131 E CA 3.472 59.902 56.400 0.051 0.000 0.811 131 E CB -0.031 29.693 29.700 0.040 0.000 0.746 131 E HN 0.428 8.702 8.360 0.047 0.114 0.466 132 L N -3.969 117.285 121.223 0.051 0.000 2.162 132 L HA -0.075 4.289 4.340 0.040 0.000 0.205 132 L C 1.657 178.561 176.870 0.057 0.000 1.086 132 L CA 3.351 58.220 54.840 0.047 0.000 0.778 132 L CB -0.483 41.601 42.059 0.042 0.000 0.928 132 L HN -0.221 8.023 8.230 0.051 0.016 0.446 133 I N -0.269 120.348 120.570 0.078 0.000 2.202 133 I HA -0.468 3.748 4.170 0.076 0.000 0.242 133 I C 1.867 178.029 176.117 0.075 0.000 1.091 133 I CA 4.295 65.651 61.300 0.093 0.000 1.368 133 I CB -0.219 37.878 38.000 0.162 0.000 1.058 133 I HN -0.640 7.540 8.210 0.083 0.079 0.410 134 V N 0.608 120.575 119.914 0.088 0.000 2.343 134 V HA -0.487 3.700 4.120 0.112 0.000 0.247 134 V C 1.361 177.510 176.094 0.091 0.000 1.051 134 V CA 3.585 65.945 62.300 0.100 0.000 1.036 134 V CB -0.841 31.043 31.823 0.100 0.000 0.654 134 V HN 0.731 8.859 8.190 0.091 0.116 0.451 135 S N -1.565 114.176 115.700 0.068 0.000 2.474 135 S HA -0.245 4.265 4.470 0.065 0.000 0.235 135 S C 1.452 176.078 174.600 0.042 0.000 0.997 135 S CA 2.741 60.974 58.200 0.056 0.000 0.949 135 S CB -0.251 62.975 63.200 0.042 0.000 0.766 135 S HN -0.401 7.941 8.310 0.064 0.006 0.517 136 Q N 0.569 120.387 119.800 0.030 0.000 2.226 136 Q HA -0.031 4.312 4.340 0.006 0.000 0.199 136 Q C 1.865 177.849 176.000 -0.028 0.000 0.945 136 Q CA 2.045 57.851 55.803 0.004 0.000 0.861 136 Q CB 0.519 29.258 28.738 0.001 0.000 0.953 136 Q HN -0.559 7.557 8.270 0.038 0.177 0.490 137 V N -4.027 115.860 119.914 -0.044 0.000 2.453 137 V HA -0.097 3.924 4.120 -0.164 0.000 0.247 137 V C 0.722 176.666 176.094 -0.251 0.000 1.048 137 V CA 2.842 65.049 62.300 -0.154 0.000 1.049 137 V CB 0.522 32.252 31.823 -0.155 0.000 0.672 137 V HN 0.167 8.241 8.190 -0.009 0.111 0.457 138 H N 0.770 119.842 119.070 0.004 0.000 2.423 138 H HA 0.565 5.118 4.556 -0.004 0.000 0.237 138 H C -1.229 174.101 175.328 0.002 0.000 1.391 138 H CA -2.380 53.668 56.048 0.001 0.000 1.453 138 H CB 1.034 30.799 29.762 0.005 0.000 1.484 138 H HN 0.012 8.226 8.280 0.071 0.110 0.505 139 P HA -0.108 4.508 4.420 0.054 -0.164 0.220 139 P C 0.644 177.980 177.300 0.061 0.000 1.144 139 P CA 1.598 64.738 63.100 0.066 0.000 0.800 139 P CB 0.454 32.179 31.700 0.041 0.000 0.772 140 E N -3.592 116.653 120.200 0.075 0.000 2.153 140 E HA -0.183 4.180 4.350 0.022 0.000 0.194 140 E C 0.223 176.830 176.600 0.012 0.000 0.988 140 E CA 0.728 57.146 56.400 0.030 0.000 0.811 140 E CB -0.507 29.198 29.700 0.009 0.000 0.746 140 E HN 0.390 8.781 8.360 0.122 0.042 0.466 141 T N 3.206 117.777 114.554 0.027 0.000 2.765 141 T HA -0.191 4.151 4.350 -0.013 0.000 0.284 141 T C 0.239 174.949 174.700 0.017 0.000 0.946 141 T CA 1.256 63.364 62.100 0.014 0.000 1.185 141 T CB -0.072 68.821 68.868 0.041 0.000 0.887 141 T HN -0.171 7.974 8.240 0.068 0.136 0.532 142 K N 6.480 126.883 120.400 0.004 0.000 1.991 142 K HA -0.122 4.204 4.320 0.010 0.000 0.208 142 K C 0.282 176.887 176.600 0.009 0.000 1.038 142 K CA 1.918 58.209 56.287 0.006 0.000 0.943 142 K CB 0.571 33.071 32.500 -0.001 0.000 0.736 142 K HN 0.158 8.405 8.250 -0.005 0.000 0.440 143 E N -2.224 117.978 120.200 0.003 0.000 2.768 143 E HA 0.077 4.435 4.350 0.014 0.000 0.290 143 E C -1.784 174.815 176.600 -0.001 0.000 1.100 143 E CA -0.666 55.738 56.400 0.006 0.000 0.768 143 E CB -0.236 29.467 29.700 0.005 0.000 1.501 143 E HN -0.071 8.286 8.360 -0.004 0.000 0.384 144 N N 4.209 122.911 118.700 0.003 0.000 2.457 144 N HA 0.013 4.738 4.740 -0.024 0.000 0.250 144 N C -0.710 174.803 175.510 0.004 0.000 0.982 144 N CA -0.148 52.897 53.050 -0.008 0.000 0.941 144 N CB 0.646 39.128 38.487 -0.009 0.000 1.120 144 N HN 0.045 8.433 8.380 0.013 0.000 0.505 145 E N 2.559 122.752 120.200 -0.011 0.000 4.230 145 E HA 0.220 4.604 4.350 0.057 0.000 0.218 145 E C -1.877 174.682 176.600 -0.068 0.000 1.140 145 E CA -0.907 55.510 56.400 0.029 0.000 1.405 145 E CB 0.472 30.221 29.700 0.081 0.000 1.193 145 E HN 0.173 8.509 8.360 -0.039 0.000 0.423 146 I N 0.347 120.829 120.570 -0.146 0.000 2.396 146 I HA 0.064 3.825 4.170 -0.683 0.000 0.292 146 I C -0.932 175.016 176.117 -0.282 0.000 0.999 146 I CA -0.264 60.813 61.300 -0.372 0.000 1.310 146 I CB 1.111 38.972 38.000 -0.231 0.000 1.404 146 I HN -0.276 7.885 8.210 -0.081 0.000 0.496 147 Y N 3.895 124.175 120.300 -0.034 0.000 2.605 147 Y HA 0.455 4.979 4.550 -0.045 0.000 0.343 147 Y C -1.960 173.909 175.900 -0.050 0.000 1.036 147 Y CA -3.797 54.274 58.100 -0.049 0.000 1.065 147 Y CB -0.778 37.643 38.460 -0.066 0.000 1.288 147 Y HN -0.143 7.205 8.280 -1.552 0.000 0.481 148 P HA 0.038 4.488 4.420 0.051 0.000 0.285 148 P C -0.992 176.390 177.300 0.136 0.000 1.282 148 P CA -0.491 62.663 63.100 0.088 0.000 0.778 148 P CB 0.816 32.541 31.700 0.042 0.000 1.222 149 V N -3.178 116.786 119.914 0.083 0.000 3.285 149 V HA 0.171 4.371 4.120 0.133 0.000 0.302 149 V C -0.848 175.283 176.094 0.062 0.000 1.247 149 V CA -1.292 61.062 62.300 0.090 0.000 1.035 149 V CB 1.459 33.324 31.823 0.070 0.000 1.223 149 V HN -0.041 8.191 8.190 0.070 0.000 0.475 150 W N 1.028 122.207 121.300 -0.202 0.000 2.715 150 W HA 0.212 4.465 4.660 -0.678 0.000 0.331 150 W C -1.469 174.889 176.519 -0.268 0.000 1.031 150 W CA -0.768 56.348 57.345 -0.380 0.000 1.237 150 W CB 1.764 31.045 29.460 -0.298 0.000 1.378 150 W HN -0.027 8.233 8.180 0.133 0.000 0.454 151 S N 5.794 121.155 115.700 -0.566 0.000 2.740 151 S HA 0.254 4.493 4.470 -0.385 0.000 0.244 151 S C -0.538 173.764 174.600 -0.495 0.000 1.101 151 S CA -0.179 57.779 58.200 -0.403 0.000 1.123 151 S CB 0.283 63.410 63.200 -0.121 0.000 1.012 151 S HN 0.272 8.123 8.310 -0.766 0.000 0.491 152 G N -0.658 107.515 108.800 -1.045 0.000 2.658 152 G HA2 0.097 3.845 3.960 -0.353 0.000 0.292 152 G HA3 0.097 3.800 3.960 -0.428 0.000 0.292 152 G C -1.970 172.373 174.900 -0.928 0.000 1.320 152 G CA -1.114 43.576 45.100 -0.683 0.000 0.933 152 G HN -0.569 6.577 8.290 -1.907 0.000 0.476 153 L N -1.990 118.970 121.223 -0.439 0.000 3.713 153 L HA -0.284 3.960 4.340 -0.160 0.000 0.499 153 L C -1.381 175.268 176.870 -0.368 0.000 1.281 153 L CA -0.106 54.542 54.840 -0.320 0.000 0.796 153 L CB -1.474 40.463 42.059 -0.203 0.000 1.535 153 L HN 0.267 8.350 8.230 -0.244 0.000 0.851 154 P HA -0.181 4.088 4.420 -0.252 0.000 0.215 154 P C -0.372 176.855 177.300 -0.121 0.000 1.153 154 P CA 1.074 64.051 63.100 -0.205 0.000 0.853 154 P CB 0.580 32.194 31.700 -0.144 0.000 0.788 155 S N -2.278 113.373 115.700 -0.082 0.000 2.594 155 S HA 0.233 4.697 4.470 -0.010 0.000 0.296 155 S C -0.433 174.168 174.600 0.003 0.000 1.124 155 S CA -0.776 57.409 58.200 -0.025 0.000 1.011 155 S CB 2.397 65.587 63.200 -0.017 0.000 1.016 155 S HN -0.135 8.111 8.310 -0.093 0.008 0.485 156 L N 4.445 125.700 121.223 0.053 0.000 2.592 156 L HA 0.055 4.445 4.340 0.084 0.000 0.227 156 L C -0.310 176.615 176.870 0.091 0.000 1.127 156 L CA 0.467 55.369 54.840 0.102 0.000 0.884 156 L CB 0.021 42.193 42.059 0.189 0.000 1.065 156 L HN 0.527 8.796 8.230 0.065 0.000 0.457 157 Q N -3.578 116.259 119.800 0.062 0.000 2.444 157 Q HA -0.161 4.221 4.340 0.071 0.000 0.206 157 Q C -0.058 175.966 176.000 0.040 0.000 0.948 157 Q CA -0.399 55.438 55.803 0.056 0.000 0.946 157 Q CB -0.175 28.589 28.738 0.044 0.000 1.027 157 Q HN -0.261 7.982 8.270 0.049 0.057 0.513 158 M N 1.552 121.167 119.600 0.024 0.000 2.861 158 M HA -0.284 4.197 4.480 0.003 0.000 0.347 158 M C 0.165 176.477 176.300 0.020 0.000 1.791 158 M CA 1.102 56.406 55.300 0.006 0.000 1.332 158 M CB -0.657 31.930 32.600 -0.022 0.000 2.040 158 M HN -0.581 7.645 8.290 0.022 0.077 0.463 159 A N 5.030 127.865 122.820 0.025 0.000 2.066 159 A HA -0.166 4.188 4.320 0.057 0.000 0.218 159 A C -0.555 177.048 177.584 0.032 0.000 1.157 159 A CA 0.815 52.875 52.037 0.039 0.000 0.670 159 A CB -0.357 18.663 19.000 0.035 0.000 0.804 159 A HN 0.328 8.490 8.150 0.020 0.000 0.453 160 D N -0.622 119.783 120.400 0.009 0.000 2.487 160 D HA -0.028 4.610 4.640 -0.004 0.000 0.243 160 D C 0.903 177.206 176.300 0.006 0.000 1.154 160 D CA 0.213 54.209 54.000 -0.006 0.000 0.876 160 D CB 0.321 41.101 40.800 -0.033 0.000 1.161 160 D HN -0.287 8.054 8.370 0.002 0.030 0.478 161 E N 5.835 126.047 120.200 0.020 0.000 2.106 161 E HA -0.360 4.057 4.350 0.111 0.000 0.192 161 E C 1.977 178.590 176.600 0.022 0.000 0.984 161 E CA 3.352 59.792 56.400 0.066 0.000 0.806 161 E CB 0.106 29.858 29.700 0.086 0.000 0.750 161 E HN 0.505 8.872 8.360 0.012 0.000 0.458 162 E N -0.979 119.164 120.200 -0.094 0.000 2.072 162 E HA -0.300 3.837 4.350 -0.356 0.000 0.191 162 E C 2.182 178.653 176.600 -0.215 0.000 0.985 162 E CA 3.388 59.606 56.400 -0.304 0.000 0.801 162 E CB -0.490 28.942 29.700 -0.447 0.000 0.750 162 E HN 0.406 8.712 8.360 -0.092 0.000 0.452 163 S N -0.430 115.195 115.700 -0.124 0.000 2.345 163 S HA -0.159 4.272 4.470 -0.064 0.000 0.219 163 S C 1.931 176.510 174.600 -0.035 0.000 1.031 163 S CA 3.165 61.324 58.200 -0.067 0.000 0.984 163 S CB -0.606 62.557 63.200 -0.061 0.000 0.874 163 S HN -0.144 8.098 8.310 -0.113 0.000 0.451 164 R N 1.957 122.430 120.500 -0.046 0.000 2.105 164 R HA -0.269 3.955 4.340 -0.195 0.000 0.239 164 R C 2.152 178.366 176.300 -0.145 0.000 1.135 164 R CA 2.208 58.230 56.100 -0.129 0.000 0.967 164 R CB -0.663 29.596 30.300 -0.068 0.000 0.861 164 R HN -0.142 8.006 8.270 -0.032 0.103 0.442 165 L N -2.301 118.986 121.223 0.107 0.000 2.042 165 L HA -0.341 4.329 4.340 0.550 0.000 0.210 165 L C 1.687 178.758 176.870 0.334 0.000 1.076 165 L CA 3.557 58.621 54.840 0.374 0.000 0.749 165 L CB -0.877 41.490 42.059 0.513 0.000 0.893 165 L HN 0.005 8.188 8.230 0.108 0.112 0.432 166 S N -1.485 114.388 115.700 0.289 0.000 2.383 166 S HA -0.370 4.332 4.470 0.388 0.000 0.229 166 S C 1.715 176.410 174.600 0.158 0.000 1.030 166 S CA 3.418 61.790 58.200 0.286 0.000 1.002 166 S CB -0.926 62.415 63.200 0.235 0.000 0.829 166 S HN -0.600 7.858 8.310 0.251 0.002 0.467 167 A N 1.436 124.226 122.820 -0.049 0.000 1.873 167 A HA -0.213 4.101 4.320 -0.010 0.000 0.218 167 A C 2.139 179.718 177.584 -0.008 0.000 1.193 167 A CA 2.819 54.762 52.037 -0.156 0.000 0.629 167 A CB -0.908 17.780 19.000 -0.521 0.000 0.826 167 A HN -0.488 7.490 8.150 -0.090 0.118 0.447 168 Y N -4.667 115.668 120.300 0.059 0.000 2.503 168 Y HA -0.030 4.477 4.550 -0.071 0.000 0.278 168 Y C 1.883 177.739 175.900 -0.072 0.000 1.111 168 Y CA -0.991 57.033 58.100 -0.126 0.000 1.270 168 Y CB -0.789 37.327 38.460 -0.574 0.000 1.063 168 Y HN -0.811 7.146 8.280 -0.538 0.000 0.548 169 Y N 2.372 122.751 120.300 0.131 0.000 2.181 169 Y HA -0.531 4.135 4.550 0.193 0.000 0.288 169 Y C 1.328 177.206 175.900 -0.037 0.000 1.146 169 Y CA 4.234 62.409 58.100 0.125 0.000 1.164 169 Y CB 0.016 38.601 38.460 0.208 0.000 0.982 169 Y HN 0.682 8.994 8.280 0.370 0.190 0.515 170 N N -1.794 116.987 118.700 0.135 0.000 2.142 170 N HA -0.282 4.475 4.740 0.029 0.000 0.186 170 N C 2.103 177.658 175.510 0.074 0.000 1.023 170 N CA 2.784 55.890 53.050 0.092 0.000 0.852 170 N CB -0.189 38.417 38.487 0.200 0.000 0.998 170 N HN -0.276 8.267 8.380 0.273 0.000 0.424 171 L N -0.228 121.077 121.223 0.136 0.000 2.022 171 L HA -0.234 4.392 4.340 0.476 0.000 0.204 171 L C 1.667 178.403 176.870 -0.224 0.000 1.076 171 L CA 3.045 58.005 54.840 0.201 0.000 0.749 171 L CB -0.227 42.038 42.059 0.343 0.000 0.903 171 L HN -0.909 7.352 8.230 0.171 0.072 0.439 172 L N -3.126 117.888 121.223 -0.347 0.000 2.043 172 L HA -0.508 3.553 4.340 -0.464 0.000 0.212 172 L C 2.397 178.715 176.870 -0.919 0.000 1.075 172 L CA 3.256 57.746 54.840 -0.583 0.000 0.752 172 L CB -0.718 41.063 42.059 -0.464 0.000 0.891 172 L HN 0.176 8.188 8.230 -0.201 0.097 0.432 173 H N -1.079 117.181 119.070 -1.350 0.000 2.299 173 H HA -0.302 3.589 4.556 -1.108 0.000 0.302 173 H C 1.641 176.646 175.328 -0.538 0.000 1.078 173 H CA 4.289 59.673 56.048 -1.106 0.000 1.323 173 H CB 0.084 29.189 29.762 -1.095 0.000 1.381 173 H HN -0.556 7.048 8.280 -1.117 0.006 0.498 174 c N -0.070 118.279 118.600 -0.419 0.000 2.419 174 c HA -0.213 4.190 4.570 -0.279 0.000 0.281 174 c C 2.165 175.967 174.090 -0.480 0.000 1.336 174 c CA 3.942 60.122 56.329 -0.249 0.000 1.770 174 c CB -2.062 40.548 42.510 0.167 0.000 1.929 174 c HN -0.541 7.515 8.230 -0.290 0.000 0.509 175 L N 0.679 121.374 121.223 -0.880 0.000 2.042 175 L HA -0.484 2.536 4.340 -2.202 0.000 0.210 175 L C 1.646 178.084 176.870 -0.721 0.000 1.076 175 L CA 3.582 57.645 54.840 -1.294 0.000 0.749 175 L CB -0.350 41.072 42.059 -1.061 0.000 0.893 175 L HN 0.760 8.327 8.230 -0.749 0.214 0.432 176 R N -1.662 118.512 120.500 -0.544 0.000 2.061 176 R HA -0.404 3.719 4.340 -0.361 0.000 0.230 176 R C 2.157 178.295 176.300 -0.270 0.000 1.140 176 R CA 3.698 59.564 56.100 -0.389 0.000 0.940 176 R CB -0.220 29.866 30.300 -0.355 0.000 0.839 176 R HN -0.514 7.303 8.270 -0.589 0.099 0.429 177 R N -1.525 118.790 120.500 -0.308 0.000 2.103 177 R HA -0.389 3.893 4.340 -0.097 0.000 0.242 177 R C 2.251 178.523 176.300 -0.047 0.000 1.142 177 R CA 3.705 59.710 56.100 -0.158 0.000 0.960 177 R CB -0.319 29.857 30.300 -0.207 0.000 0.858 177 R HN -0.638 7.351 8.270 -0.467 0.000 0.439 178 D N -1.268 119.089 120.400 -0.072 0.000 2.144 178 D HA -0.166 4.532 4.640 0.097 0.000 0.200 178 D C 2.547 178.844 176.300 -0.006 0.000 0.978 178 D CA 3.247 57.278 54.000 0.052 0.000 0.833 178 D CB -0.799 40.172 40.800 0.285 0.000 0.961 178 D HN 0.126 8.394 8.370 -0.164 0.004 0.470 179 S N -0.418 115.217 115.700 -0.109 0.000 2.399 179 S HA -0.294 4.133 4.470 -0.072 0.000 0.231 179 S C 1.891 176.470 174.600 -0.035 0.000 1.022 179 S CA 3.984 62.136 58.200 -0.081 0.000 0.983 179 S CB -0.258 62.871 63.200 -0.118 0.000 0.803 179 S HN -0.179 7.922 8.310 -0.213 0.082 0.480 180 H N 2.665 121.702 119.070 -0.055 0.000 2.363 180 H HA -0.186 4.282 4.556 -0.147 0.000 0.301 180 H C 1.659 176.851 175.328 -0.227 0.000 1.074 180 H CA 3.784 59.770 56.048 -0.103 0.000 1.354 180 H CB 0.252 29.996 29.762 -0.031 0.000 1.397 180 H HN -0.358 7.874 8.280 0.122 0.121 0.516 181 K N -0.516 119.788 120.400 -0.161 0.000 2.032 181 K HA -0.364 3.647 4.320 -0.516 0.000 0.209 181 K C 2.417 178.654 176.600 -0.605 0.000 1.048 181 K CA 3.714 59.763 56.287 -0.396 0.000 0.927 181 K CB -0.056 32.365 32.500 -0.132 0.000 0.712 181 K HN -0.431 7.735 8.250 -0.002 0.082 0.441 182 I N -1.469 118.968 120.570 -0.222 0.000 2.208 182 I HA -0.576 3.697 4.170 0.172 0.000 0.245 182 I C 1.387 177.377 176.117 -0.211 0.000 1.097 182 I CA 4.693 65.954 61.300 -0.066 0.000 1.363 182 I CB -0.301 37.703 38.000 0.006 0.000 1.051 182 I HN 0.069 8.212 8.210 -0.113 0.000 0.413 183 D N -0.733 119.457 120.400 -0.349 0.000 2.144 183 D HA -0.301 4.134 4.640 -0.342 0.000 0.200 183 D C 2.085 178.090 176.300 -0.491 0.000 0.978 183 D CA 2.891 56.618 54.000 -0.455 0.000 0.833 183 D CB 0.042 40.448 40.800 -0.658 0.000 0.961 183 D HN -0.412 7.671 8.370 -0.336 0.086 0.470 184 N N 0.081 118.376 118.700 -0.675 0.000 2.104 184 N HA -0.296 4.174 4.740 -0.450 0.000 0.190 184 N C 2.084 177.389 175.510 -0.341 0.000 1.024 184 N CA 2.744 55.451 53.050 -0.572 0.000 0.853 184 N CB -0.230 37.847 38.487 -0.684 0.000 1.008 184 N HN 0.305 8.011 8.380 -0.790 0.200 0.424 185 Y N -1.038 119.154 120.300 -0.181 0.000 2.181 185 Y HA -0.267 4.218 4.550 -0.107 0.000 0.288 185 Y C 2.466 178.386 175.900 0.033 0.000 1.146 185 Y CA 2.877 60.882 58.100 -0.158 0.000 1.164 185 Y CB -0.558 37.666 38.460 -0.394 0.000 0.982 185 Y HN -0.369 7.403 8.280 -0.847 0.000 0.515 186 L N -1.950 119.351 121.223 0.129 0.000 2.079 186 L HA -0.417 4.113 4.340 0.317 0.000 0.210 186 L C 2.078 179.086 176.870 0.229 0.000 1.081 186 L CA 3.172 58.099 54.840 0.146 0.000 0.752 186 L CB -1.317 40.669 42.059 -0.122 0.000 0.896 186 L HN -0.539 7.704 8.230 0.021 0.000 0.433 187 K N -0.392 120.078 120.400 0.118 0.000 2.026 187 K HA -0.351 4.083 4.320 0.191 0.000 0.208 187 K C 2.622 179.351 176.600 0.216 0.000 1.048 187 K CA 3.370 59.751 56.287 0.156 0.000 0.929 187 K CB 0.008 32.549 32.500 0.068 0.000 0.713 187 K HN -0.779 7.385 8.250 0.012 0.093 0.439 188 L N -1.734 119.625 121.223 0.227 0.000 2.017 188 L HA -0.312 4.145 4.340 0.194 0.000 0.208 188 L C 2.943 179.974 176.870 0.267 0.000 1.073 188 L CA 2.699 57.694 54.840 0.258 0.000 0.745 188 L CB -0.223 42.062 42.059 0.378 0.000 0.894 188 L HN -0.361 7.989 8.230 0.200 0.000 0.432 189 L N -1.516 119.919 121.223 0.353 0.000 2.127 189 L HA -0.452 4.009 4.340 0.201 0.000 0.211 189 L C 1.224 178.174 176.870 0.134 0.000 1.089 189 L CA 2.944 57.949 54.840 0.276 0.000 0.757 189 L CB -0.269 42.023 42.059 0.389 0.000 0.899 189 L HN 0.550 8.923 8.230 0.417 0.107 0.434 190 K N -0.101 120.473 120.400 0.290 0.000 2.074 190 K HA -0.535 3.639 4.320 -0.244 0.000 0.209 190 K C 1.946 178.561 176.600 0.024 0.000 1.048 190 K CA 3.868 60.246 56.287 0.153 0.000 0.926 190 K CB -0.523 32.224 32.500 0.411 0.000 0.713 190 K HN -0.312 8.069 8.250 0.434 0.128 0.444 191 c N -2.379 116.270 118.600 0.082 0.000 2.385 191 c HA -0.231 4.499 4.570 0.073 -0.116 0.275 191 c C 1.873 175.961 174.090 -0.003 0.000 1.199 191 c CA 3.441 59.802 56.329 0.053 0.000 1.782 191 c CB -1.447 41.100 42.510 0.061 0.000 2.068 191 c HN -0.324 7.898 8.230 0.134 0.089 0.471 192 R N -3.010 117.465 120.500 -0.042 0.000 2.437 192 R HA 0.131 4.432 4.340 -0.066 0.000 0.257 192 R C 0.461 176.665 176.300 -0.159 0.000 0.927 192 R CA 0.287 56.338 56.100 -0.082 0.000 1.078 192 R CB 0.359 30.617 30.300 -0.070 0.000 1.161 192 R HN -0.519 7.723 8.270 -0.027 0.012 0.529 193 I N -1.005 119.414 120.570 -0.252 0.000 2.556 193 I HA -0.185 3.782 4.170 -0.340 0.000 0.251 193 I C 0.702 176.573 176.117 -0.410 0.000 1.105 193 I CA 2.525 63.564 61.300 -0.434 0.000 1.436 193 I CB 1.455 38.908 38.000 -0.911 0.000 1.139 193 I HN -0.232 7.642 8.210 -0.221 0.203 0.438 194 I N -4.044 116.292 120.570 -0.390 0.000 3.878 194 I HA -0.007 3.937 4.170 -0.377 0.000 0.273 194 I C -0.414 175.420 176.117 -0.472 0.000 1.165 194 I CA 0.590 61.629 61.300 -0.435 0.000 1.360 194 I CB 2.450 40.170 38.000 -0.467 0.000 1.539 194 I HN -0.703 7.301 8.210 -0.344 0.000 0.447 195 H N -0.763 118.280 119.070 -0.045 0.000 2.529 195 H HA 0.208 4.752 4.556 -0.021 0.000 0.348 195 H C -0.440 174.878 175.328 -0.016 0.000 1.079 195 H CA -1.002 55.035 56.048 -0.018 0.000 1.198 195 H CB 2.283 32.049 29.762 0.007 0.000 1.521 195 H HN -0.715 7.499 8.280 -0.111 0.000 0.514 196 N N 1.753 120.522 118.700 0.114 0.000 2.223 196 N HA -0.334 4.632 4.740 0.030 -0.208 0.185 196 N C 0.235 175.782 175.510 0.062 0.000 1.016 196 N CA 1.934 55.017 53.050 0.055 0.000 0.863 196 N CB 0.411 38.920 38.487 0.036 0.000 0.983 196 N HN 0.434 8.891 8.380 0.129 0.000 0.429 197 N N -0.066 118.678 118.700 0.074 0.000 2.462 197 N HA -0.026 4.738 4.740 0.041 0.000 0.242 197 N C -1.428 174.120 175.510 0.064 0.000 1.010 197 N CA -0.071 53.008 53.050 0.048 0.000 0.939 197 N CB -0.421 38.077 38.487 0.018 0.000 1.127 197 N HN -0.212 8.210 8.380 0.095 0.015 0.509 198 N N 3.566 122.307 118.700 0.068 0.000 3.496 198 N HA 0.104 4.886 4.740 0.070 0.000 0.331 198 N C -1.307 174.250 175.510 0.079 0.000 1.532 198 N CA -0.231 52.870 53.050 0.084 0.000 0.863 198 N CB 1.200 39.764 38.487 0.127 0.000 1.927 198 N HN -0.021 8.395 8.380 0.060 0.000 0.529 199 c N 0.000 118.656 118.600 0.093 0.000 2.653 199 c HA 0.000 4.626 4.570 0.093 0.000 0.325 199 c CA 0.000 56.382 56.329 0.089 0.000 1.963 199 c CB 0.000 42.571 42.510 0.101 0.000 2.134 199 c HN 0.000 8.295 8.230 0.108 0.000 0.568