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 2hva_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGMIRNSLF GSVETWPWQV LSTGGKEDVS YEERACEGGK FATVEVTDKP DATA SEQUENCE VDEALREAMP KIMKYVGGTN DKGVGMGMTV PVSFAVFPNE DGSLQKKLKV DATA SEQUENCE WFRIPNQFQG SPPAPSDESV KIEEREGITV YSTQFGGYAK EADYVAHATQ DATA SEQUENCE LRTTLEGTPA TYQGDVYYCA GYDPPMKPYG RRNEVWLVKA 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 4.499 4.480 0.032 0.000 0.227 1 M C 0.000 176.318 176.300 0.031 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 L N -0.980 120.260 121.223 0.027 0.000 4.040 2 L HA -0.442 3.912 4.340 0.024 0.000 0.410 2 L C 0.188 177.070 176.870 0.020 0.000 1.187 2 L CA 0.002 54.856 54.840 0.024 0.000 0.956 2 L CB -2.126 39.948 42.059 0.025 0.000 2.022 2 L HN 0.714 8.960 8.230 0.028 0.000 0.897 3 G N -1.252 107.560 108.800 0.020 0.000 2.651 3 G HA2 -0.367 3.602 3.960 0.016 0.000 0.315 3 G HA3 -0.367 3.601 3.960 0.014 0.000 0.315 3 G C -0.919 173.989 174.900 0.014 0.000 1.258 3 G CA 1.046 46.155 45.100 0.016 0.000 1.002 3 G HN -0.153 8.125 8.290 0.021 0.025 0.551 4 M N 2.968 122.574 119.600 0.011 0.000 2.576 4 M HA 0.211 4.696 4.480 0.008 0.000 0.322 4 M C 0.005 176.310 176.300 0.008 0.000 1.184 4 M CA -0.616 54.689 55.300 0.008 0.000 0.967 4 M CB 0.331 32.934 32.600 0.004 0.000 1.372 4 M HN -0.009 8.287 8.290 0.010 0.000 0.509 5 I N -4.534 116.042 120.570 0.011 0.000 3.837 5 I HA 0.150 4.325 4.170 0.008 0.000 0.332 5 I C -0.817 175.307 176.117 0.013 0.000 1.484 5 I CA -0.800 60.506 61.300 0.010 0.000 1.223 5 I CB -0.762 37.245 38.000 0.011 0.000 1.257 5 I HN -0.478 7.668 8.210 0.013 0.071 0.421 6 R N 0.167 120.675 120.500 0.014 0.000 2.404 6 R HA 0.110 4.462 4.340 0.019 0.000 0.291 6 R C -0.493 175.815 176.300 0.014 0.000 1.025 6 R CA -0.056 56.055 56.100 0.018 0.000 0.991 6 R CB 0.949 31.265 30.300 0.027 0.000 1.053 6 R HN -0.229 7.948 8.270 0.012 0.100 0.479 7 N N 2.265 120.974 118.700 0.016 0.000 2.530 7 N HA 0.165 4.910 4.740 0.008 0.000 0.283 7 N C -0.899 174.622 175.510 0.018 0.000 1.238 7 N CA -1.033 52.024 53.050 0.012 0.000 0.971 7 N CB 2.035 40.527 38.487 0.008 0.000 1.195 7 N HN 0.030 8.421 8.380 0.018 0.000 0.583 8 S N 0.126 115.834 115.700 0.013 0.000 2.525 8 S HA 0.018 4.499 4.470 0.018 0.000 0.285 8 S C -0.420 174.200 174.600 0.033 0.000 1.283 8 S CA 0.688 58.898 58.200 0.018 0.000 1.072 8 S CB 0.338 63.543 63.200 0.009 0.000 0.867 8 S HN 0.066 8.380 8.310 0.008 0.000 0.492 9 L N 1.122 122.384 121.223 0.065 0.000 2.736 9 L HA 0.264 4.636 4.340 0.054 0.000 0.273 9 L C -0.634 176.361 176.870 0.208 0.000 0.901 9 L CA -0.028 54.864 54.840 0.087 0.000 1.094 9 L CB -0.001 42.093 42.059 0.059 0.000 1.628 9 L HN -0.408 7.864 8.230 0.071 0.000 0.345 10 F N -1.639 118.289 119.950 -0.037 0.000 2.441 10 F HA -0.304 4.200 4.527 -0.038 0.000 0.657 10 F C 0.500 176.278 175.800 -0.037 0.000 0.494 10 F CA 0.896 58.875 58.000 -0.035 0.000 1.141 10 F CB -1.209 37.776 39.000 -0.026 0.000 1.932 10 F HN 0.565 8.916 8.300 0.085 0.000 0.262 11 G N -1.703 107.172 108.800 0.124 0.000 2.604 11 G HA2 -0.230 3.774 3.960 0.074 0.000 0.216 11 G HA3 -0.230 3.753 3.960 0.039 0.000 0.216 11 G C -0.729 174.150 174.900 -0.036 0.000 1.265 11 G CA 0.504 45.631 45.100 0.046 0.000 0.804 11 G HN -0.077 8.196 8.290 0.148 0.106 0.579 12 S N 1.621 117.292 115.700 -0.049 0.000 2.433 12 S HA 0.126 4.540 4.470 -0.094 0.000 0.310 12 S C -1.015 173.515 174.600 -0.117 0.000 1.097 12 S CA -0.137 58.014 58.200 -0.083 0.000 1.103 12 S CB 0.412 63.573 63.200 -0.066 0.000 0.992 12 S HN -0.176 8.117 8.310 -0.027 0.000 0.469 13 V N 1.014 120.833 119.914 -0.159 0.000 2.925 13 V HA 0.325 4.337 4.120 -0.181 0.000 0.311 13 V C -0.874 175.089 176.094 -0.219 0.000 1.104 13 V CA -0.722 61.461 62.300 -0.196 0.000 0.954 13 V CB 2.488 34.167 31.823 -0.240 0.000 1.022 13 V HN 0.025 8.121 8.190 -0.157 0.000 0.427 14 E N 3.953 123.987 120.200 -0.276 0.000 2.145 14 E HA 0.340 4.524 4.350 -0.276 0.000 0.270 14 E C -0.712 175.619 176.600 -0.449 0.000 0.906 14 E CA -0.664 55.527 56.400 -0.347 0.000 0.761 14 E CB 1.352 30.811 29.700 -0.402 0.000 1.116 14 E HN 0.220 8.409 8.360 -0.284 0.000 0.408 15 T N 0.910 115.249 114.554 -0.359 0.000 2.791 15 T HA 0.269 4.406 4.350 -0.356 0.000 0.288 15 T C 0.081 174.624 174.700 -0.262 0.000 0.999 15 T CA -0.517 61.401 62.100 -0.302 0.000 0.952 15 T CB 1.089 69.857 68.868 -0.166 0.000 0.938 15 T HN 0.065 8.135 8.240 -0.284 0.000 0.444 16 W N 6.162 127.339 121.300 -0.205 0.000 2.158 16 W HA 0.025 4.460 4.660 -0.377 0.000 0.339 16 W C 0.155 176.457 176.519 -0.362 0.000 1.294 16 W CA -2.380 54.754 57.345 -0.352 0.000 1.231 16 W CB -0.673 28.538 29.460 -0.415 0.000 1.143 16 W HN 0.353 8.399 8.180 -0.224 0.000 0.571 17 P HA -0.147 4.253 4.420 -0.034 0.000 0.225 17 P C -2.126 175.194 177.300 0.033 0.000 1.148 17 P CA 1.363 64.369 63.100 -0.156 0.000 0.779 17 P CB 0.318 31.880 31.700 -0.231 0.000 0.780 18 W N -7.856 113.471 121.300 0.045 0.000 3.372 18 W HA 0.390 5.166 4.660 -0.048 -0.145 0.315 18 W C -2.417 174.101 176.519 -0.001 0.000 1.223 18 W CA -2.395 54.929 57.345 -0.034 0.000 1.202 18 W CB 1.242 30.627 29.460 -0.127 0.000 1.367 18 W HN -0.700 7.049 8.180 -0.627 0.054 0.531 19 Q N 2.259 122.195 119.800 0.227 0.000 2.394 19 Q HA 0.220 4.650 4.340 0.150 0.000 0.259 19 Q C -0.567 175.511 176.000 0.130 0.000 1.021 19 Q CA -1.307 54.592 55.803 0.159 0.000 0.805 19 Q CB 1.686 30.497 28.738 0.121 0.000 1.226 19 Q HN 0.291 8.649 8.270 0.192 0.028 0.476 20 V N 8.945 128.928 119.914 0.114 0.000 2.421 20 V HA -0.033 4.367 4.120 0.044 -0.253 0.271 20 V C 0.245 176.357 176.094 0.030 0.000 1.031 20 V CA 1.136 63.467 62.300 0.051 0.000 1.032 20 V CB -0.422 31.407 31.823 0.011 0.000 1.009 20 V HN 0.687 8.939 8.190 0.103 0.000 0.477 21 L N 7.615 128.859 121.223 0.034 0.000 2.664 21 L HA 0.278 4.636 4.340 0.030 0.000 0.233 21 L C -0.132 176.751 176.870 0.020 0.000 1.113 21 L CA 0.126 54.986 54.840 0.034 0.000 0.896 21 L CB 0.694 42.783 42.059 0.050 0.000 1.163 21 L HN 0.515 8.769 8.230 0.039 0.000 0.497 22 S N -3.047 112.655 115.700 0.003 0.000 2.615 22 S HA 0.227 4.679 4.470 -0.030 0.000 0.268 22 S C -1.931 172.623 174.600 -0.077 0.000 1.146 22 S CA -0.315 57.869 58.200 -0.028 0.000 0.818 22 S CB 1.179 64.372 63.200 -0.011 0.000 1.111 22 S HN -0.595 7.669 8.310 0.002 0.047 0.465 23 T N -1.344 113.137 114.554 -0.121 0.000 2.671 23 T HA 0.168 4.399 4.350 -0.199 0.000 0.300 23 T C -0.691 173.868 174.700 -0.235 0.000 1.238 23 T CA -1.009 60.988 62.100 -0.172 0.000 1.020 23 T CB 1.832 70.628 68.868 -0.121 0.000 1.503 23 T HN 0.077 8.252 8.240 -0.107 0.000 0.497 24 G N -0.296 108.363 108.800 -0.236 0.000 3.129 24 G HA2 -0.192 3.668 3.960 -0.167 0.000 0.686 24 G HA3 -0.192 3.665 3.960 -0.171 0.000 0.686 24 G C -1.596 173.066 174.900 -0.398 0.000 0.989 24 G CA -0.249 44.714 45.100 -0.227 0.000 0.810 24 G HN -0.008 8.161 8.290 -0.201 0.000 0.539 25 G N 0.519 109.151 108.800 -0.280 0.000 2.665 25 G HA2 0.258 3.906 3.960 -0.520 0.000 0.204 25 G HA3 0.258 4.199 3.960 -0.151 -0.072 0.204 25 G C -2.012 172.937 174.900 0.081 0.000 1.883 25 G CA -0.064 44.905 45.100 -0.218 0.000 0.734 25 G HN -0.123 8.070 8.290 -0.162 0.000 0.811 26 K N -1.760 118.705 120.400 0.108 0.000 2.607 26 K HA 0.128 4.482 4.320 0.056 0.000 0.287 26 K C -1.327 175.311 176.600 0.063 0.000 0.996 26 K CA -0.609 55.729 56.287 0.085 0.000 0.876 26 K CB 3.651 36.215 32.500 0.107 0.000 1.496 26 K HN -0.165 8.150 8.250 0.108 0.000 0.415 27 E N 0.175 120.400 120.200 0.042 0.000 2.204 27 E HA -0.245 4.125 4.350 0.033 0.000 0.194 27 E C 0.132 176.757 176.600 0.043 0.000 0.989 27 E CA 2.340 58.761 56.400 0.035 0.000 0.824 27 E CB 0.138 29.852 29.700 0.022 0.000 0.756 27 E HN 0.288 8.670 8.360 0.035 0.000 0.477 28 D N -2.214 118.210 120.400 0.041 0.000 2.262 28 D HA -0.037 4.622 4.640 0.032 0.000 0.212 28 D C -0.728 175.606 176.300 0.057 0.000 0.964 28 D CA 1.039 55.060 54.000 0.034 0.000 0.875 28 D CB 0.831 41.635 40.800 0.007 0.000 0.996 28 D HN -0.214 8.155 8.370 0.040 0.024 0.497 29 V N -1.100 118.863 119.914 0.081 0.000 2.559 29 V HA 0.074 4.285 4.120 0.151 0.000 0.289 29 V C -1.720 174.498 176.094 0.207 0.000 1.036 29 V CA -0.501 61.874 62.300 0.125 0.000 0.887 29 V CB 2.616 34.476 31.823 0.061 0.000 1.022 29 V HN -0.624 7.613 8.190 0.078 0.000 0.442 30 S N 8.205 124.032 115.700 0.212 0.000 2.508 30 S HA 0.349 5.024 4.470 0.215 -0.076 0.284 30 S C -1.719 173.054 174.600 0.287 0.000 1.192 30 S CA -0.712 57.609 58.200 0.202 0.000 1.070 30 S CB 1.128 64.375 63.200 0.079 0.000 1.004 30 S HN 0.407 8.833 8.310 0.193 0.000 0.493 31 Y N -0.053 120.254 120.300 0.012 0.000 2.609 31 Y HA 0.692 5.442 4.550 0.044 -0.173 0.342 31 Y C -1.417 174.481 175.900 -0.004 0.000 1.058 31 Y CA -2.650 55.461 58.100 0.019 0.000 1.055 31 Y CB 3.101 41.562 38.460 0.001 0.000 1.292 31 Y HN 0.035 8.270 8.280 -0.074 0.000 0.476 32 E N -1.142 119.089 120.200 0.051 0.000 2.321 32 E HA 0.275 4.529 4.350 -0.160 0.000 0.278 32 E C -2.293 174.373 176.600 0.110 0.000 0.902 32 E CA -0.908 55.463 56.400 -0.048 0.000 0.758 32 E CB 4.554 34.179 29.700 -0.125 0.000 1.213 32 E HN -0.016 8.466 8.360 0.203 0.000 0.426 33 E N 3.701 123.974 120.200 0.121 0.000 2.105 33 E HA 0.036 4.643 4.350 0.428 0.000 0.285 33 E C -1.242 175.389 176.600 0.052 0.000 1.055 33 E CA -0.046 56.487 56.400 0.222 0.000 0.843 33 E CB 0.897 30.737 29.700 0.232 0.000 1.067 33 E HN 0.109 8.485 8.360 0.027 0.000 0.398 34 R N 3.789 124.276 120.500 -0.022 0.000 2.532 34 R HA 0.677 5.172 4.340 0.032 -0.136 0.297 34 R C -2.252 174.016 176.300 -0.053 0.000 0.984 34 R CA -2.405 53.673 56.100 -0.036 0.000 0.884 34 R CB 3.337 33.557 30.300 -0.133 0.000 1.182 34 R HN -0.354 7.886 8.270 -0.051 0.000 0.442 35 A N 2.917 125.748 122.820 0.018 0.000 2.271 35 A HA 0.322 4.605 4.320 -0.062 0.000 0.317 35 A C -1.161 176.443 177.584 0.034 0.000 1.245 35 A CA -1.541 50.494 52.037 -0.004 0.000 0.857 35 A CB 1.979 20.987 19.000 0.014 0.000 1.175 35 A HN 0.537 8.654 8.150 0.068 0.074 0.512 36 C N 4.096 123.395 119.300 -0.003 0.000 2.329 36 C HA 0.190 4.695 4.460 0.075 0.000 0.329 36 C C -0.928 174.098 174.990 0.059 0.000 1.275 36 C CA -0.744 58.297 59.018 0.038 0.000 1.726 36 C CB 1.815 29.562 27.740 0.011 0.000 2.291 36 C HN 0.035 8.230 8.230 -0.058 0.000 0.514 37 E N 4.725 124.982 120.200 0.095 0.000 2.255 37 E HA 0.209 4.638 4.350 0.132 0.000 0.256 37 E C -0.954 175.739 176.600 0.154 0.000 0.887 37 E CA -0.946 55.523 56.400 0.115 0.000 0.782 37 E CB 2.150 31.889 29.700 0.065 0.000 1.214 37 E HN 0.349 8.762 8.360 0.088 0.000 0.417 38 G N 2.309 111.280 108.800 0.285 0.000 3.234 38 G HA2 0.471 4.478 3.960 0.078 0.000 0.159 38 G HA3 0.471 4.576 3.960 0.242 0.000 0.159 38 G C -1.982 172.989 174.900 0.119 0.000 1.175 38 G CA -0.821 44.396 45.100 0.194 0.000 0.900 38 G HN 0.032 8.550 8.290 0.381 0.000 0.621 39 G N -2.668 106.090 108.800 -0.070 0.000 2.604 39 G HA2 0.197 4.210 3.960 0.088 0.000 0.202 39 G HA3 0.197 4.282 3.960 -0.045 -0.152 0.202 39 G C -1.954 172.926 174.900 -0.032 0.000 1.212 39 G CA 0.266 45.359 45.100 -0.012 0.000 0.627 39 G HN 0.391 8.456 8.290 -0.375 0.000 0.850 40 K N 0.577 120.797 120.400 -0.301 0.000 2.426 40 K HA 0.868 5.418 4.320 0.071 -0.187 0.251 40 K C -1.757 174.539 176.600 -0.508 0.000 0.941 40 K CA -1.105 55.075 56.287 -0.179 0.000 0.808 40 K CB 3.644 36.120 32.500 -0.040 0.000 1.265 40 K HN -0.536 7.464 8.250 -0.416 0.000 0.432 41 F N -0.858 119.133 119.950 0.068 0.000 2.599 41 F HA 0.435 5.177 4.527 0.212 -0.088 0.311 41 F C -1.356 174.386 175.800 -0.097 0.000 1.076 41 F CA -1.829 56.220 58.000 0.080 0.000 0.937 41 F CB 4.710 43.793 39.000 0.139 0.000 1.282 41 F HN -0.379 8.071 8.300 0.251 0.000 0.460 42 A N 0.943 123.845 122.820 0.136 0.000 2.269 42 A HA 0.518 4.778 4.320 -0.299 -0.119 0.302 42 A C -0.606 176.865 177.584 -0.189 0.000 1.266 42 A CA -1.296 50.649 52.037 -0.153 0.000 0.894 42 A CB 1.016 19.850 19.000 -0.276 0.000 1.147 42 A HN 0.213 8.605 8.150 0.402 0.000 0.537 43 T N 2.764 117.120 114.554 -0.331 0.000 2.797 43 T HA 0.854 5.228 4.350 -0.397 -0.263 0.279 43 T C -0.856 173.721 174.700 -0.205 0.000 0.991 43 T CA -2.091 59.779 62.100 -0.383 0.000 0.979 43 T CB 1.986 70.512 68.868 -0.570 0.000 0.943 43 T HN 0.932 8.870 8.240 -0.327 0.107 0.444 44 V N 5.159 125.008 119.914 -0.108 0.000 2.531 44 V HA 0.395 4.466 4.120 -0.081 0.000 0.301 44 V C -1.695 174.394 176.094 -0.007 0.000 1.034 44 V CA -1.335 60.931 62.300 -0.058 0.000 0.865 44 V CB 3.017 34.818 31.823 -0.038 0.000 0.995 44 V HN -0.014 8.131 8.190 -0.076 0.000 0.424 45 E N 8.033 128.226 120.200 -0.011 0.000 2.216 45 E HA 0.349 4.730 4.350 0.050 0.000 0.279 45 E C -1.310 175.292 176.600 0.004 0.000 0.997 45 E CA -0.937 55.471 56.400 0.015 0.000 0.817 45 E CB 2.311 32.013 29.700 0.004 0.000 1.096 45 E HN 0.318 8.659 8.360 -0.032 0.000 0.393 46 V N 6.552 126.474 119.914 0.014 0.000 2.524 46 V HA 0.339 4.453 4.120 -0.010 0.000 0.297 46 V C -1.387 174.705 176.094 -0.003 0.000 1.035 46 V CA -0.723 61.575 62.300 -0.002 0.000 0.867 46 V CB 2.492 34.309 31.823 -0.011 0.000 1.004 46 V HN -0.203 8.009 8.190 0.037 0.000 0.426 47 T N 5.377 119.923 114.554 -0.013 0.000 2.937 47 T HA 0.209 4.548 4.350 -0.017 0.000 0.283 47 T C 0.092 174.783 174.700 -0.015 0.000 1.012 47 T CA -1.792 60.297 62.100 -0.018 0.000 0.997 47 T CB 1.761 70.614 68.868 -0.026 0.000 1.136 47 T HN 0.286 8.517 8.240 -0.015 0.000 0.551 48 D N -0.556 119.834 120.400 -0.015 0.000 2.792 48 D HA -0.365 4.268 4.640 -0.011 0.000 0.231 48 D C -1.491 174.803 176.300 -0.010 0.000 1.160 48 D CA 1.853 55.846 54.000 -0.012 0.000 0.697 48 D CB -0.169 40.623 40.800 -0.012 0.000 1.070 48 D HN 0.493 8.852 8.370 -0.019 0.000 0.426 49 K N -3.245 117.149 120.400 -0.009 0.000 2.550 49 K HA 0.330 4.644 4.320 -0.010 0.000 0.252 49 K C -2.534 174.061 176.600 -0.009 0.000 0.943 49 K CA -2.331 53.949 56.287 -0.011 0.000 0.806 49 K CB 2.687 35.176 32.500 -0.019 0.000 1.289 49 K HN -0.376 7.839 8.250 -0.008 0.031 0.435 50 P HA -0.132 4.296 4.420 0.013 0.000 0.302 50 P C 0.113 177.398 177.300 -0.025 0.000 1.301 50 P CA 0.034 63.133 63.100 -0.002 0.000 0.770 50 P CB 0.592 32.293 31.700 0.002 0.000 1.458 51 V N -1.331 118.566 119.914 -0.029 0.000 2.300 51 V HA -0.360 3.690 4.120 -0.117 0.000 0.241 51 V C 1.606 177.585 176.094 -0.192 0.000 1.034 51 V CA 4.658 66.896 62.300 -0.103 0.000 1.021 51 V CB 0.230 32.032 31.823 -0.035 0.000 0.662 51 V HN -0.381 7.966 8.190 0.001 -0.156 0.458 52 D N -0.598 119.733 120.400 -0.116 0.000 2.117 52 D HA -0.354 4.175 4.640 -0.185 0.000 0.197 52 D C 2.361 178.598 176.300 -0.105 0.000 0.987 52 D CA 4.120 58.049 54.000 -0.118 0.000 0.829 52 D CB -0.494 40.282 40.800 -0.040 0.000 0.961 52 D HN 0.238 8.577 8.370 -0.051 0.000 0.460 53 E N -1.174 118.984 120.200 -0.069 0.000 2.047 53 E HA -0.226 4.098 4.350 -0.044 0.000 0.191 53 E C 1.531 178.091 176.600 -0.068 0.000 0.987 53 E CA 2.640 59.008 56.400 -0.052 0.000 0.799 53 E CB 0.045 29.727 29.700 -0.030 0.000 0.752 53 E HN -0.000 8.328 8.360 -0.053 0.000 0.449 54 A N 0.139 122.910 122.820 -0.081 0.000 1.883 54 A HA -0.311 3.976 4.320 -0.055 0.000 0.217 54 A C 1.877 179.394 177.584 -0.111 0.000 1.186 54 A CA 3.049 55.038 52.037 -0.080 0.000 0.624 54 A CB -0.633 18.325 19.000 -0.071 0.000 0.822 54 A HN -0.652 7.348 8.150 -0.080 0.101 0.444 55 L N -2.875 118.235 121.223 -0.188 0.000 2.127 55 L HA -0.422 3.794 4.340 -0.206 0.000 0.211 55 L C 2.266 179.055 176.870 -0.136 0.000 1.089 55 L CA 3.216 57.922 54.840 -0.225 0.000 0.757 55 L CB -0.435 41.392 42.059 -0.386 0.000 0.899 55 L HN 0.170 8.266 8.230 -0.223 0.000 0.434 56 R N -2.311 118.129 120.500 -0.101 0.000 2.120 56 R HA -0.337 3.974 4.340 -0.048 0.000 0.234 56 R C 1.140 177.416 176.300 -0.039 0.000 1.123 56 R CA 3.022 59.089 56.100 -0.055 0.000 0.975 56 R CB -0.443 29.834 30.300 -0.038 0.000 0.866 56 R HN -0.445 7.643 8.270 -0.109 0.117 0.446 57 E N -1.377 118.797 120.200 -0.045 0.000 2.190 57 E HA -0.067 4.269 4.350 -0.023 0.000 0.191 57 E C 0.947 177.527 176.600 -0.032 0.000 0.978 57 E CA 1.793 58.174 56.400 -0.031 0.000 0.839 57 E CB 0.111 29.793 29.700 -0.029 0.000 0.787 57 E HN -0.499 7.692 8.360 -0.057 0.135 0.473 58 A N 0.266 123.059 122.820 -0.045 0.000 1.897 58 A HA -0.236 4.067 4.320 -0.030 0.000 0.215 58 A C 1.773 179.341 177.584 -0.027 0.000 1.181 58 A CA 3.130 55.145 52.037 -0.037 0.000 0.620 58 A CB -0.311 18.663 19.000 -0.044 0.000 0.821 58 A HN 0.653 8.565 8.150 -0.062 0.201 0.443 59 M N -1.672 117.906 119.600 -0.036 0.000 2.080 59 M HA -0.148 4.333 4.480 0.002 0.000 0.260 59 M C -1.257 175.051 176.300 0.013 0.000 1.068 59 M CA 3.729 59.023 55.300 -0.010 0.000 1.109 59 M CB -2.984 29.604 32.600 -0.021 0.000 1.342 59 M HN 0.785 8.916 8.290 -0.059 0.124 0.405 60 P HA -0.244 4.187 4.420 0.019 0.000 0.215 60 P C 1.735 179.038 177.300 0.006 0.000 1.157 60 P CA 3.015 66.121 63.100 0.010 0.000 0.868 60 P CB -0.656 31.045 31.700 0.003 0.000 0.788 61 K N -2.541 117.857 120.400 -0.004 0.000 2.062 61 K HA -0.188 4.275 4.320 -0.003 -0.145 0.205 61 K C 2.764 179.358 176.600 -0.010 0.000 1.051 61 K CA 2.985 59.266 56.287 -0.009 0.000 0.941 61 K CB -0.078 32.408 32.500 -0.023 0.000 0.719 61 K HN -0.879 7.366 8.250 -0.009 0.000 0.440 62 I N 0.626 121.187 120.570 -0.015 0.000 2.500 62 I HA -0.369 3.759 4.170 -0.071 0.000 0.252 62 I C 1.389 177.499 176.117 -0.012 0.000 1.142 62 I CA 2.719 64.002 61.300 -0.030 0.000 1.451 62 I CB 0.429 38.428 38.000 -0.001 0.000 1.093 62 I HN 0.123 8.327 8.210 -0.010 0.000 0.430 63 M N 0.419 120.031 119.600 0.021 0.000 2.132 63 M HA -0.506 3.999 4.480 0.043 0.000 0.263 63 M C 1.920 178.221 176.300 0.001 0.000 1.065 63 M CA 4.407 59.725 55.300 0.031 0.000 1.122 63 M CB -0.181 32.453 32.600 0.056 0.000 1.365 63 M HN 0.545 8.736 8.290 0.024 0.114 0.411 64 K N -1.847 118.558 120.400 0.008 0.000 2.147 64 K HA -0.358 3.953 4.320 -0.016 0.000 0.205 64 K C 1.876 178.464 176.600 -0.020 0.000 1.049 64 K CA 3.279 59.563 56.287 -0.004 0.000 0.936 64 K CB -0.440 32.065 32.500 0.008 0.000 0.722 64 K HN -0.534 7.725 8.250 0.014 0.000 0.446 65 Y N -1.805 118.409 120.300 -0.143 0.000 2.200 65 Y HA -0.329 4.132 4.550 -0.148 0.000 0.290 65 Y C 2.028 177.772 175.900 -0.260 0.000 1.137 65 Y CA 2.872 60.856 58.100 -0.193 0.000 1.163 65 Y CB 0.450 38.771 38.460 -0.231 0.000 0.988 65 Y HN -0.834 7.383 8.280 0.089 0.116 0.518 66 V N -6.492 113.282 119.914 -0.233 0.000 2.649 66 V HA -0.023 3.803 4.120 -0.491 0.000 0.248 66 V C 1.024 176.986 176.094 -0.219 0.000 1.054 66 V CA 1.730 63.833 62.300 -0.328 0.000 1.073 66 V CB 0.753 32.409 31.823 -0.278 0.000 0.699 66 V HN -0.862 7.180 8.190 -0.113 0.080 0.463 67 G N 0.316 109.036 108.800 -0.133 0.000 2.586 67 G HA2 -0.082 3.838 3.960 -0.066 0.000 0.199 67 G HA3 -0.082 3.848 3.960 -0.050 0.000 0.199 67 G C -1.500 173.336 174.900 -0.107 0.000 1.614 67 G CA 0.592 45.641 45.100 -0.085 0.000 0.921 67 G HN 0.394 8.510 8.290 -0.108 0.109 0.428 68 G N -2.748 106.003 108.800 -0.081 0.000 4.566 68 G HA2 0.322 4.223 3.960 -0.098 0.000 0.307 68 G HA3 0.322 4.251 3.960 -0.052 0.000 0.307 68 G C -1.482 173.378 174.900 -0.066 0.000 1.383 68 G CA 0.166 45.220 45.100 -0.075 0.000 0.910 68 G HN -0.116 8.139 8.290 -0.060 0.000 0.538 69 T N 1.820 116.319 114.554 -0.091 0.000 4.099 69 T HA 0.187 4.510 4.350 -0.045 0.000 0.216 69 T C -1.464 173.194 174.700 -0.070 0.000 0.945 69 T CA 0.220 62.285 62.100 -0.058 0.000 1.581 69 T CB 0.369 69.221 68.868 -0.027 0.000 0.752 69 T HN -0.419 7.737 8.240 -0.141 0.000 0.623 70 N N -1.038 117.598 118.700 -0.106 0.000 2.160 70 N HA 0.118 4.834 4.740 -0.041 0.000 0.226 70 N C -0.859 174.623 175.510 -0.047 0.000 1.256 70 N CA -0.523 52.458 53.050 -0.115 0.000 0.890 70 N CB 1.185 39.480 38.487 -0.321 0.000 1.116 70 N HN -0.057 8.262 8.380 -0.102 0.000 0.517 71 D N -2.218 118.161 120.400 -0.034 0.000 2.716 71 D HA -0.212 4.420 4.640 -0.014 0.000 0.239 71 D C -0.847 175.445 176.300 -0.013 0.000 1.125 71 D CA 1.616 55.607 54.000 -0.015 0.000 0.681 71 D CB -0.898 39.902 40.800 0.000 0.000 1.070 71 D HN -0.002 8.344 8.370 -0.040 0.000 0.432 72 K N -2.218 118.169 120.400 -0.022 0.000 2.937 72 K HA 0.168 4.486 4.320 -0.003 0.000 0.194 72 K C -0.362 176.234 176.600 -0.006 0.000 1.589 72 K CA 0.180 56.461 56.287 -0.009 0.000 1.303 72 K CB 1.955 34.453 32.500 -0.003 0.000 1.864 72 K HN -0.323 7.951 8.250 -0.034 -0.044 0.608 73 G N 1.325 110.116 108.800 -0.015 0.000 2.226 73 G HA2 -0.269 3.681 3.960 -0.016 0.000 0.176 73 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.176 73 G C -0.672 174.236 174.900 0.014 0.000 1.042 73 G CA -0.180 44.916 45.100 -0.007 0.000 0.732 73 G HN -0.336 8.116 8.290 -0.034 -0.182 0.494 74 V N -4.142 115.784 119.914 0.020 0.000 2.966 74 V HA 0.432 4.626 4.120 0.124 0.000 0.317 74 V C -0.162 175.951 176.094 0.030 0.000 1.070 74 V CA -1.710 60.649 62.300 0.099 0.000 1.008 74 V CB 1.121 33.109 31.823 0.275 0.000 1.070 74 V HN -0.922 7.427 8.190 -0.020 -0.170 0.457 75 G N 1.103 109.961 108.800 0.098 0.000 3.986 75 G HA2 0.292 4.234 3.960 -0.030 0.000 0.343 75 G HA3 0.292 4.281 3.960 0.048 0.000 0.343 75 G C -0.699 174.198 174.900 -0.005 0.000 1.413 75 G CA -0.449 44.666 45.100 0.025 0.000 1.143 75 G HN -0.001 8.425 8.290 0.227 0.000 0.488 76 M N 1.843 121.319 119.600 -0.207 0.000 2.081 76 M HA -0.335 3.973 4.480 -0.285 0.000 0.261 76 M C 1.123 177.369 176.300 -0.090 0.000 1.075 76 M CA 2.381 57.492 55.300 -0.314 0.000 1.133 76 M CB 0.771 33.004 32.600 -0.611 0.000 1.330 76 M HN -0.065 8.067 8.290 -0.264 0.000 0.414 77 G N -0.935 107.821 108.800 -0.074 0.000 4.163 77 G HA2 -0.467 3.492 3.960 -0.002 0.000 0.300 77 G HA3 -0.467 3.508 3.960 0.025 0.000 0.300 77 G C -1.564 173.383 174.900 0.078 0.000 1.488 77 G CA 0.472 45.576 45.100 0.007 0.000 1.052 77 G HN 0.281 8.413 8.290 -0.131 0.080 0.687 78 M N -0.343 119.338 119.600 0.136 0.000 3.012 78 M HA 0.128 4.860 4.480 0.421 0.000 0.272 78 M C -2.646 173.765 176.300 0.185 0.000 1.187 78 M CA -0.072 55.375 55.300 0.244 0.000 0.813 78 M CB 3.627 36.346 32.600 0.199 0.000 1.626 78 M HN -0.439 7.912 8.290 0.102 0.000 0.507 79 T N 1.514 116.152 114.554 0.141 0.000 3.798 79 T HA 0.316 4.703 4.350 0.062 0.000 0.339 79 T C -1.612 173.086 174.700 -0.003 0.000 0.967 79 T CA -0.399 61.726 62.100 0.042 0.000 1.046 79 T CB 0.576 69.452 68.868 0.014 0.000 1.092 79 T HN 0.021 8.366 8.240 0.174 0.000 0.465 80 V N 1.828 121.768 119.914 0.044 0.000 3.868 80 V HA -0.275 3.885 4.120 0.066 0.000 0.549 80 V C -2.016 174.145 176.094 0.112 0.000 0.697 80 V CA -0.834 61.506 62.300 0.067 0.000 2.118 80 V CB -1.170 30.700 31.823 0.078 0.000 2.500 80 V HN 0.138 8.358 8.190 0.051 0.000 0.523 81 P HA 0.003 4.745 4.420 0.536 0.000 0.269 81 P C -0.807 176.664 177.300 0.285 0.000 1.209 81 P CA -0.274 63.033 63.100 0.345 0.000 0.776 81 P CB 0.664 32.550 31.700 0.310 0.000 0.876 82 V N -1.036 119.071 119.914 0.321 0.000 2.785 82 V HA 0.154 4.354 4.120 0.134 0.000 0.300 82 V C -0.359 175.815 176.094 0.134 0.000 1.062 82 V CA -0.509 61.900 62.300 0.182 0.000 1.029 82 V CB 0.554 32.480 31.823 0.172 0.000 1.024 82 V HN 0.005 8.497 8.190 0.503 0.000 0.477 83 S N 1.009 116.762 115.700 0.089 0.000 2.536 83 S HA 0.642 4.907 4.470 -0.554 -0.127 0.298 83 S C -1.394 173.213 174.600 0.011 0.000 1.083 83 S CA -1.876 56.190 58.200 -0.224 0.000 0.995 83 S CB 2.481 65.477 63.200 -0.339 0.000 1.058 83 S HN -0.362 8.045 8.310 0.162 0.000 0.488 84 F N 0.903 120.820 119.950 -0.055 0.000 2.561 84 F HA 0.895 5.702 4.527 0.212 -0.153 0.321 84 F C -1.863 173.913 175.800 -0.040 0.000 1.065 84 F CA -3.662 54.363 58.000 0.041 0.000 0.934 84 F CB 2.834 41.797 39.000 -0.061 0.000 1.215 84 F HN -0.266 7.024 8.300 -1.683 0.000 0.471 85 A N -0.413 122.435 122.820 0.047 0.000 2.301 85 A HA 0.557 4.287 4.320 -1.212 -0.138 0.312 85 A C -1.573 175.642 177.584 -0.615 0.000 1.182 85 A CA -1.616 50.028 52.037 -0.655 0.000 0.826 85 A CB 1.526 20.133 19.000 -0.655 0.000 1.134 85 A HN 1.004 9.194 8.150 0.298 0.139 0.501 86 V N -2.345 116.973 119.914 -0.994 0.000 2.531 86 V HA 0.619 4.525 4.120 -0.357 0.000 0.301 86 V C -1.605 173.998 176.094 -0.819 0.000 1.034 86 V CA -3.490 58.350 62.300 -0.766 0.000 0.865 86 V CB 1.690 33.026 31.823 -0.811 0.000 0.995 86 V HN 1.036 8.342 8.190 -1.279 0.116 0.424 87 F N 4.364 124.199 119.950 -0.192 0.000 2.303 87 F HA 0.657 5.303 4.527 -0.057 -0.152 0.368 87 F C -1.435 174.380 175.800 0.025 0.000 1.105 87 F CA -3.229 54.731 58.000 -0.066 0.000 1.153 87 F CB 0.100 39.072 39.000 -0.046 0.000 1.362 87 F HN -0.277 8.171 8.300 0.247 0.000 0.511 88 P HA -0.001 4.543 4.420 0.205 0.000 0.276 88 P C -1.720 175.667 177.300 0.145 0.000 1.235 88 P CA -0.437 62.797 63.100 0.223 0.000 0.772 88 P CB 0.741 32.603 31.700 0.270 0.000 0.871 89 N N 2.001 120.764 118.700 0.106 0.000 2.413 89 N HA 0.030 4.815 4.740 0.075 0.000 0.266 89 N C 1.758 177.296 175.510 0.046 0.000 1.238 89 N CA -1.349 51.743 53.050 0.071 0.000 0.972 89 N CB 1.338 39.858 38.487 0.055 0.000 1.210 89 N HN -0.350 8.094 8.380 0.107 0.000 0.547 90 E N 0.035 120.254 120.200 0.032 0.000 2.333 90 E HA -0.241 4.116 4.350 0.013 0.000 0.198 90 E C 0.345 176.952 176.600 0.011 0.000 1.007 90 E CA 2.569 58.979 56.400 0.017 0.000 0.845 90 E CB -0.026 29.682 29.700 0.013 0.000 0.766 90 E HN 0.556 8.936 8.360 0.033 0.000 0.507 91 D N -4.166 116.244 120.400 0.017 0.000 2.349 91 D HA 0.032 4.675 4.640 0.006 0.000 0.215 91 D C 0.290 176.598 176.300 0.013 0.000 1.016 91 D CA 0.066 54.074 54.000 0.012 0.000 0.870 91 D CB -0.005 40.804 40.800 0.015 0.000 0.917 91 D HN -0.072 8.258 8.370 0.024 0.055 0.524 92 G N -2.001 106.811 108.800 0.020 0.000 2.176 92 G HA2 -0.333 3.637 3.960 0.017 0.000 0.253 92 G HA3 -0.333 3.631 3.960 0.007 0.000 0.253 92 G C -1.709 173.219 174.900 0.046 0.000 0.979 92 G CA 0.222 45.335 45.100 0.021 0.000 0.641 92 G HN -0.140 7.977 8.290 0.025 0.188 0.530 93 S N -0.600 115.130 115.700 0.051 0.000 2.500 93 S HA 0.228 4.744 4.470 0.076 0.000 0.301 93 S C -0.048 174.598 174.600 0.075 0.000 1.092 93 S CA -1.338 56.900 58.200 0.063 0.000 1.030 93 S CB 1.903 65.129 63.200 0.043 0.000 1.031 93 S HN -0.609 7.654 8.310 0.043 0.073 0.483 94 L N 4.425 125.704 121.223 0.092 0.000 2.456 94 L HA -0.121 4.290 4.340 0.117 0.000 0.266 94 L C 0.553 177.463 176.870 0.067 0.000 1.258 94 L CA 0.935 55.833 54.840 0.097 0.000 0.823 94 L CB 0.564 42.683 42.059 0.100 0.000 1.100 94 L HN 0.621 8.911 8.230 0.099 0.000 0.531 95 Q N -0.690 119.147 119.800 0.061 0.000 2.333 95 Q HA 0.075 4.431 4.340 0.026 0.000 0.365 95 Q C -1.577 174.431 176.000 0.015 0.000 0.882 95 Q CA -0.500 55.320 55.803 0.029 0.000 1.124 95 Q CB 0.846 29.593 28.738 0.014 0.000 1.345 95 Q HN 0.436 8.756 8.270 0.083 0.000 0.409 96 K N -2.517 117.898 120.400 0.026 0.000 5.349 96 K HA -0.327 4.124 4.320 0.021 -0.118 0.360 96 K C -1.607 174.998 176.600 0.009 0.000 0.960 96 K CA 0.710 57.006 56.287 0.015 0.000 1.134 96 K CB -1.926 30.574 32.500 0.000 0.000 1.782 96 K HN 0.027 8.299 8.250 0.038 0.000 0.408 97 K N -0.052 120.376 120.400 0.048 0.000 2.535 97 K HA 0.193 4.677 4.320 0.026 -0.149 0.310 97 K C -2.970 173.763 176.600 0.222 0.000 1.178 97 K CA 0.487 56.812 56.287 0.064 0.000 1.052 97 K CB 2.144 34.597 32.500 -0.078 0.000 1.364 97 K HN -0.109 8.182 8.250 0.068 0.000 0.475 98 L N 4.135 125.466 121.223 0.181 0.000 2.455 98 L HA 0.844 5.551 4.340 0.250 -0.216 0.264 98 L C -2.805 174.186 176.870 0.202 0.000 0.968 98 L CA -0.949 54.007 54.840 0.193 0.000 0.827 98 L CB 4.557 46.663 42.059 0.077 0.000 1.317 98 L HN -0.249 8.048 8.230 0.112 0.000 0.407 99 K N 5.439 125.997 120.400 0.264 0.000 2.394 99 K HA 0.614 5.312 4.320 0.189 -0.264 0.260 99 K C -0.612 176.221 176.600 0.388 0.000 0.967 99 K CA -2.139 54.322 56.287 0.290 0.000 0.855 99 K CB 2.846 35.580 32.500 0.391 0.000 1.101 99 K HN -0.110 8.280 8.250 0.234 0.000 0.433 100 V N 7.668 127.736 119.914 0.257 0.000 2.427 100 V HA -0.114 4.379 4.120 0.436 -0.111 0.268 100 V C -1.066 175.205 176.094 0.296 0.000 1.046 100 V CA 0.216 62.699 62.300 0.306 0.000 0.970 100 V CB -0.042 31.883 31.823 0.169 0.000 1.001 100 V HN 0.245 8.524 8.190 0.149 0.000 0.476 101 W N 7.982 129.385 121.300 0.172 0.000 2.390 101 W HA 0.312 5.242 4.660 0.179 -0.162 0.312 101 W C -1.578 175.078 176.519 0.229 0.000 1.123 101 W CA -0.923 56.515 57.345 0.155 0.000 1.202 101 W CB 1.692 31.157 29.460 0.009 0.000 1.251 101 W HN 1.092 9.530 8.180 0.613 0.110 0.511 102 F N 2.406 122.539 119.950 0.304 0.000 2.469 102 F HA 0.406 5.097 4.527 0.274 0.000 0.332 102 F C -1.225 174.824 175.800 0.415 0.000 1.103 102 F CA -1.796 56.374 58.000 0.282 0.000 0.979 102 F CB 4.135 43.228 39.000 0.156 0.000 1.137 102 F HN 0.224 8.792 8.300 0.447 0.000 0.463 103 R N 7.806 128.185 120.500 -0.201 0.000 2.205 103 R HA 0.104 4.722 4.340 0.463 0.000 0.342 103 R C -1.092 175.152 176.300 -0.092 0.000 1.058 103 R CA -0.474 55.652 56.100 0.044 0.000 0.904 103 R CB 0.084 30.404 30.300 0.032 0.000 1.089 103 R HN 0.384 8.217 8.270 -0.729 0.000 0.471 104 I N 6.248 126.868 120.570 0.084 0.000 2.474 104 I HA 0.051 4.503 4.170 0.470 0.000 0.287 104 I C -1.298 174.860 176.117 0.070 0.000 1.048 104 I CA -2.316 59.101 61.300 0.195 0.000 1.383 104 I CB -0.050 38.025 38.000 0.124 0.000 1.412 104 I HN -0.368 7.770 8.210 -0.120 0.000 0.531 105 P HA 0.027 4.487 4.420 0.067 0.000 0.269 105 P C -0.279 177.084 177.300 0.105 0.000 1.215 105 P CA -0.839 62.334 63.100 0.121 0.000 0.780 105 P CB 0.832 32.643 31.700 0.186 0.000 0.898 106 N N 0.997 119.721 118.700 0.041 0.000 2.258 106 N HA -0.387 4.343 4.740 -0.016 0.000 0.187 106 N C 2.169 177.682 175.510 0.004 0.000 1.012 106 N CA 3.567 56.617 53.050 -0.000 0.000 0.870 106 N CB -0.205 38.260 38.487 -0.036 0.000 0.977 106 N HN 0.398 8.794 8.380 0.027 0.000 0.434 107 Q N -2.068 117.755 119.800 0.038 0.000 2.061 107 Q HA -0.245 4.028 4.340 -0.112 0.000 0.204 107 Q C 1.657 177.550 176.000 -0.178 0.000 0.984 107 Q CA 2.773 58.538 55.803 -0.064 0.000 0.846 107 Q CB -0.083 28.642 28.738 -0.023 0.000 0.902 107 Q HN 0.306 8.591 8.270 0.084 0.035 0.421 108 F N -4.498 115.443 119.950 -0.015 0.000 2.714 108 F HA 0.132 4.647 4.527 -0.019 0.000 0.294 108 F C 1.837 177.624 175.800 -0.021 0.000 1.120 108 F CA 0.689 58.681 58.000 -0.013 0.000 1.398 108 F CB 0.764 39.764 39.000 -0.000 0.000 1.120 108 F HN -0.666 7.882 8.300 0.413 0.000 0.589 109 Q N 1.971 121.841 119.800 0.116 0.000 2.152 109 Q HA -0.439 3.899 4.340 -0.004 0.000 0.206 109 Q C 1.827 177.830 176.000 0.003 0.000 0.985 109 Q CA 3.657 59.470 55.803 0.015 0.000 0.863 109 Q CB -0.300 28.416 28.738 -0.037 0.000 0.904 109 Q HN 0.410 8.558 8.270 0.124 0.196 0.422 110 G N -4.659 104.135 108.800 -0.009 0.000 2.422 110 G HA2 -0.167 3.783 3.960 -0.016 0.000 0.218 110 G HA3 -0.167 3.770 3.960 -0.038 0.000 0.218 110 G C -0.082 174.816 174.900 -0.003 0.000 1.140 110 G CA 0.578 45.666 45.100 -0.019 0.000 0.775 110 G HN -0.478 7.784 8.290 -0.017 0.017 0.545 111 S N -1.022 114.684 115.700 0.010 0.000 2.689 111 S HA 0.291 4.784 4.470 0.039 0.000 0.151 111 S C -2.417 172.239 174.600 0.094 0.000 1.155 111 S CA -1.971 56.248 58.200 0.031 0.000 1.144 111 S CB 0.923 64.121 63.200 -0.003 0.000 1.526 111 S HN -0.590 7.599 8.310 0.011 0.127 0.419 112 P HA 0.149 4.822 4.420 0.394 -0.017 0.269 112 P C -2.291 175.131 177.300 0.203 0.000 1.217 112 P CA -0.909 62.339 63.100 0.247 0.000 0.783 112 P CB -0.283 31.546 31.700 0.216 0.000 0.898 113 P HA -0.014 4.453 4.420 0.079 0.000 0.275 113 P C -0.910 176.463 177.300 0.122 0.000 1.228 113 P CA -0.568 62.563 63.100 0.051 0.000 0.786 113 P CB 0.523 32.119 31.700 -0.174 0.000 0.927 114 A N 2.747 125.622 122.820 0.092 0.000 2.476 114 A HA 0.039 4.439 4.320 0.134 0.000 0.275 114 A C -1.921 175.770 177.584 0.179 0.000 1.133 114 A CA -1.679 50.430 52.037 0.119 0.000 0.797 114 A CB -0.782 18.256 19.000 0.063 0.000 1.081 114 A HN 0.026 8.208 8.150 0.054 0.000 0.510 115 P HA -0.120 4.676 4.420 0.627 0.000 0.265 115 P C -0.821 176.558 177.300 0.132 0.000 1.187 115 P CA 0.149 63.426 63.100 0.295 0.000 0.766 115 P CB 0.525 32.238 31.700 0.021 0.000 0.820 116 S N 1.111 116.885 115.700 0.123 0.000 2.499 116 S HA -0.080 4.415 4.470 0.042 0.000 0.225 116 S C -0.946 173.672 174.600 0.030 0.000 1.050 116 S CA 1.172 59.405 58.200 0.055 0.000 0.928 116 S CB 1.093 64.316 63.200 0.039 0.000 0.803 116 S HN 0.395 8.822 8.310 0.195 0.000 0.506 117 D N 0.964 121.381 120.400 0.028 0.000 2.317 117 D HA 0.071 4.711 4.640 0.000 0.000 0.252 117 D C 0.197 176.485 176.300 -0.021 0.000 1.174 117 D CA 0.457 54.456 54.000 -0.002 0.000 0.866 117 D CB 0.827 41.621 40.800 -0.010 0.000 1.127 117 D HN -0.340 8.063 8.370 0.056 0.000 0.467 118 E N 5.231 125.421 120.200 -0.018 0.000 2.267 118 E HA -0.279 4.058 4.350 -0.022 0.000 0.197 118 E C 0.350 176.928 176.600 -0.036 0.000 0.998 118 E CA 2.050 58.436 56.400 -0.023 0.000 0.830 118 E CB 0.293 29.983 29.700 -0.016 0.000 0.751 118 E HN 0.605 8.958 8.360 -0.011 0.000 0.491 119 S N -3.531 112.146 115.700 -0.039 0.000 2.446 119 S HA -0.072 4.373 4.470 -0.042 0.000 0.225 119 S C -0.749 173.806 174.600 -0.074 0.000 1.016 119 S CA 1.206 59.377 58.200 -0.047 0.000 0.943 119 S CB 0.681 63.858 63.200 -0.037 0.000 0.786 119 S HN -0.311 7.937 8.310 -0.032 0.042 0.508 120 V N 1.788 121.645 119.914 -0.095 0.000 2.408 120 V HA 0.014 4.170 4.120 -0.168 -0.137 0.267 120 V C -0.731 175.247 176.094 -0.195 0.000 1.047 120 V CA 0.233 62.432 62.300 -0.167 0.000 0.937 120 V CB -0.619 31.077 31.823 -0.211 0.000 0.999 120 V HN -0.607 7.418 8.190 -0.074 0.120 0.472 121 K N 8.525 128.802 120.400 -0.206 0.000 2.318 121 K HA 0.317 4.541 4.320 -0.160 0.000 0.249 121 K C -1.874 174.588 176.600 -0.230 0.000 0.942 121 K CA -2.177 54.001 56.287 -0.182 0.000 0.808 121 K CB 4.106 36.532 32.500 -0.124 0.000 1.189 121 K HN 0.554 8.681 8.250 -0.205 0.000 0.428 122 I N 3.001 123.465 120.570 -0.176 0.000 2.378 122 I HA 0.800 5.092 4.170 -0.185 -0.233 0.291 122 I C -0.068 176.006 176.117 -0.072 0.000 0.992 122 I CA -2.881 58.333 61.300 -0.143 0.000 1.154 122 I CB 0.417 38.355 38.000 -0.102 0.000 1.315 122 I HN 0.334 8.465 8.210 -0.132 0.000 0.448 123 E N 7.887 128.051 120.200 -0.060 0.000 2.174 123 E HA 0.201 4.554 4.350 0.005 0.000 0.282 123 E C -1.203 175.466 176.600 0.114 0.000 0.992 123 E CA -1.210 55.195 56.400 0.008 0.000 0.803 123 E CB 1.616 31.292 29.700 -0.040 0.000 1.090 123 E HN -0.129 8.173 8.360 -0.096 0.000 0.396 124 E N 3.529 123.790 120.200 0.101 0.000 2.266 124 E HA 0.147 4.709 4.350 0.136 -0.130 0.277 124 E C 0.440 177.130 176.600 0.150 0.000 1.018 124 E CA -0.627 55.845 56.400 0.120 0.000 0.840 124 E CB 1.522 31.269 29.700 0.078 0.000 1.082 124 E HN 0.347 8.751 8.360 0.073 0.000 0.395 125 R N 5.194 125.797 120.500 0.171 0.000 3.645 125 R HA -0.412 4.030 4.340 0.171 0.000 0.571 125 R C -1.746 174.672 176.300 0.197 0.000 0.241 125 R CA 1.703 57.903 56.100 0.167 0.000 1.765 125 R CB 0.085 30.453 30.300 0.115 0.000 0.977 125 R HN 0.044 8.414 8.270 0.167 0.000 0.578 126 E N -1.349 118.946 120.200 0.159 0.000 6.912 126 E HA -0.109 4.303 4.350 0.104 0.000 0.189 126 E C -1.366 175.308 176.600 0.123 0.000 1.039 126 E CA 0.245 56.728 56.400 0.139 0.000 1.563 126 E CB -0.063 29.735 29.700 0.163 0.000 0.928 126 E HN 0.175 8.616 8.360 0.135 0.000 0.296 127 G N 2.348 111.194 108.800 0.076 0.000 2.451 127 G HA2 0.307 4.273 3.960 0.011 0.000 0.303 127 G HA3 0.307 4.293 3.960 0.044 0.000 0.303 127 G C -0.935 173.924 174.900 -0.069 0.000 1.166 127 G CA -0.527 44.584 45.100 0.019 0.000 0.884 127 G HN -0.191 8.143 8.290 0.075 0.000 0.514 128 I N -3.173 117.299 120.570 -0.163 0.000 2.608 128 I HA 0.526 4.611 4.170 -0.143 0.000 0.295 128 I C -1.499 174.504 176.117 -0.189 0.000 1.049 128 I CA -0.782 60.394 61.300 -0.207 0.000 1.063 128 I CB 2.644 40.417 38.000 -0.379 0.000 1.248 128 I HN -0.114 7.987 8.210 -0.182 0.000 0.424 129 T N 7.121 121.572 114.554 -0.171 0.000 2.815 129 T HA 0.369 4.605 4.350 -0.190 0.000 0.289 129 T C -1.190 173.321 174.700 -0.315 0.000 1.000 129 T CA -0.220 61.761 62.100 -0.199 0.000 0.958 129 T CB 0.834 69.618 68.868 -0.141 0.000 0.944 129 T HN 0.172 8.323 8.240 -0.149 0.000 0.442 130 V N 0.811 120.504 119.914 -0.367 0.000 3.141 130 V HA 0.859 4.631 4.120 -0.752 -0.103 0.312 130 V C -2.344 173.449 176.094 -0.503 0.000 1.157 130 V CA -3.374 58.640 62.300 -0.477 0.000 1.041 130 V CB 3.858 35.629 31.823 -0.087 0.000 1.071 130 V HN -0.336 7.666 8.190 -0.313 0.000 0.441 131 Y N -1.918 118.421 120.300 0.065 0.000 2.360 131 Y HA 0.731 5.423 4.550 -0.049 -0.171 0.337 131 Y C -0.115 175.808 175.900 0.039 0.000 1.039 131 Y CA -2.616 55.508 58.100 0.040 0.000 1.109 131 Y CB 1.539 40.099 38.460 0.167 0.000 1.201 131 Y HN -0.182 7.881 8.280 -0.362 0.000 0.458 132 S N 0.027 115.742 115.700 0.024 0.000 2.509 132 S HA 0.343 4.985 4.470 0.286 0.000 0.297 132 S C -0.755 173.925 174.600 0.133 0.000 1.118 132 S CA -1.236 56.971 58.200 0.010 0.000 1.074 132 S CB 1.663 64.638 63.200 -0.375 0.000 1.038 132 S HN -0.016 8.272 8.310 -0.038 0.000 0.498 133 T N 2.746 117.433 114.554 0.223 0.000 2.886 133 T HA 0.331 4.867 4.350 0.158 -0.091 0.292 133 T C -1.861 172.899 174.700 0.100 0.000 1.012 133 T CA -1.450 60.775 62.100 0.208 0.000 0.982 133 T CB 1.768 70.831 68.868 0.326 0.000 1.018 133 T HN 0.022 8.454 8.240 0.319 0.000 0.451 134 Q N 7.647 127.469 119.800 0.036 0.000 2.333 134 Q HA 0.518 4.642 4.340 -0.361 0.000 0.268 134 Q C -0.681 175.306 176.000 -0.022 0.000 1.007 134 Q CA -0.960 54.761 55.803 -0.137 0.000 0.810 134 Q CB 2.443 31.115 28.738 -0.110 0.000 1.264 134 Q HN 0.422 8.740 8.270 0.079 0.000 0.452 135 F N 2.238 122.218 119.950 0.050 0.000 2.640 135 F HA 0.594 5.156 4.527 0.058 0.000 0.324 135 F C -0.509 175.310 175.800 0.032 0.000 1.077 135 F CA -2.160 55.880 58.000 0.066 0.000 0.965 135 F CB 1.013 40.106 39.000 0.155 0.000 1.351 135 F HN -0.593 7.066 8.300 -1.069 0.000 0.487 136 G N 1.587 110.562 108.800 0.292 0.000 3.444 136 G HA2 0.094 4.088 3.960 0.057 0.000 0.315 136 G HA3 0.094 4.088 3.960 0.056 0.000 0.315 136 G C -0.756 174.282 174.900 0.230 0.000 1.079 136 G CA -0.310 44.877 45.100 0.145 0.000 1.500 136 G HN 0.418 8.895 8.290 0.311 0.000 0.518 137 G N 1.084 110.103 108.800 0.366 0.000 2.550 137 G HA2 0.067 4.214 3.960 0.312 0.000 0.293 137 G HA3 0.067 4.244 3.960 0.361 0.000 0.293 137 G C -2.710 172.466 174.900 0.460 0.000 1.402 137 G CA 0.396 45.728 45.100 0.386 0.000 0.784 137 G HN -0.700 7.809 8.290 0.365 0.000 0.482 138 Y N -2.167 118.198 120.300 0.109 0.000 2.374 138 Y HA -0.069 4.508 4.550 0.045 0.000 0.322 138 Y C -1.824 174.066 175.900 -0.017 0.000 1.275 138 Y CA -0.453 57.674 58.100 0.045 0.000 1.307 138 Y CB 2.037 40.507 38.460 0.015 0.000 1.282 138 Y HN 0.039 8.591 8.280 0.454 0.000 0.509 139 A N -0.376 122.407 122.820 -0.061 0.000 2.518 139 A HA 0.185 4.351 4.320 -0.255 0.000 0.295 139 A C -1.988 175.294 177.584 -0.502 0.000 1.052 139 A CA -0.067 51.706 52.037 -0.440 0.000 0.824 139 A CB 2.102 20.512 19.000 -0.983 0.000 1.325 139 A HN 0.243 8.349 8.150 -0.073 0.000 0.394 140 K N 2.049 122.293 120.400 -0.260 0.000 2.274 140 K HA 0.007 4.329 4.320 0.002 0.000 0.219 140 K C -0.333 176.339 176.600 0.119 0.000 1.058 140 K CA 1.726 57.989 56.287 -0.040 0.000 0.920 140 K CB 0.950 33.463 32.500 0.021 0.000 1.124 140 K HN 0.373 8.510 8.250 -0.188 0.000 0.464 141 E N -1.912 118.361 120.200 0.120 0.000 3.935 141 E HA 0.065 4.666 4.350 0.419 0.000 0.244 141 E C 0.244 176.974 176.600 0.216 0.000 1.295 141 E CA 0.952 57.495 56.400 0.239 0.000 1.728 141 E CB 0.852 30.641 29.700 0.149 0.000 1.750 141 E HN -0.419 7.970 8.360 0.048 0.000 0.721 142 A N 0.468 123.363 122.820 0.124 0.000 1.978 142 A HA -0.170 4.221 4.320 0.118 0.000 0.220 142 A C 1.583 179.221 177.584 0.090 0.000 1.170 142 A CA 2.979 55.076 52.037 0.099 0.000 0.636 142 A CB -0.829 18.205 19.000 0.056 0.000 0.810 142 A HN 0.281 8.487 8.150 0.094 0.000 0.448 143 D N -2.586 117.850 120.400 0.061 0.000 2.178 143 D HA -0.190 4.460 4.640 0.016 0.000 0.202 143 D C 1.922 178.316 176.300 0.157 0.000 0.974 143 D CA 3.622 57.647 54.000 0.041 0.000 0.841 143 D CB -0.274 40.517 40.800 -0.014 0.000 0.953 143 D HN 0.351 8.727 8.370 0.043 0.020 0.478 144 Y N -0.438 119.983 120.300 0.201 0.000 2.181 144 Y HA -0.345 4.370 4.550 0.275 0.000 0.288 144 Y C 1.975 177.970 175.900 0.158 0.000 1.146 144 Y CA 2.321 60.561 58.100 0.233 0.000 1.164 144 Y CB -0.394 38.215 38.460 0.247 0.000 0.982 144 Y HN -0.859 7.404 8.280 0.178 0.124 0.515 145 V N -0.495 119.597 119.914 0.297 0.000 2.380 145 V HA -0.501 3.650 4.120 0.051 0.000 0.251 145 V C 1.887 177.963 176.094 -0.030 0.000 1.063 145 V CA 4.444 66.809 62.300 0.108 0.000 1.055 145 V CB -0.492 31.399 31.823 0.113 0.000 0.657 145 V HN -0.354 7.934 8.190 0.317 0.092 0.455 146 A N -2.039 120.772 122.820 -0.015 0.000 1.929 146 A HA -0.275 3.967 4.320 -0.130 0.000 0.216 146 A C 1.664 179.128 177.584 -0.200 0.000 1.176 146 A CA 3.127 55.086 52.037 -0.130 0.000 0.628 146 A CB -0.981 17.916 19.000 -0.173 0.000 0.816 146 A HN -0.421 7.641 8.150 0.045 0.115 0.444 147 H N -0.952 118.048 119.070 -0.117 0.000 2.363 147 H HA -0.248 4.174 4.556 -0.222 0.000 0.301 147 H C 2.327 177.581 175.328 -0.124 0.000 1.074 147 H CA 3.782 59.745 56.048 -0.141 0.000 1.354 147 H CB 0.163 29.889 29.762 -0.060 0.000 1.397 147 H HN -0.790 7.454 8.280 0.124 0.111 0.516 148 A N -1.500 121.272 122.820 -0.079 0.000 1.972 148 A HA -0.279 3.920 4.320 -0.202 0.000 0.219 148 A C 1.719 179.120 177.584 -0.304 0.000 1.169 148 A CA 3.241 55.083 52.037 -0.325 0.000 0.635 148 A CB -0.830 17.586 19.000 -0.974 0.000 0.810 148 A HN 0.594 8.726 8.150 -0.031 0.000 0.446 149 T N 0.586 114.985 114.554 -0.258 0.000 2.777 149 T HA -0.367 3.825 4.350 -0.264 0.000 0.266 149 T C 2.043 176.616 174.700 -0.212 0.000 1.040 149 T CA 4.176 66.136 62.100 -0.233 0.000 1.141 149 T CB -0.635 68.122 68.868 -0.186 0.000 0.868 149 T HN -0.562 7.430 8.240 -0.227 0.112 0.444 150 Q N 1.871 121.559 119.800 -0.187 0.000 2.050 150 Q HA -0.321 3.920 4.340 -0.165 0.000 0.202 150 Q C 2.348 178.241 176.000 -0.178 0.000 0.980 150 Q CA 3.367 59.070 55.803 -0.168 0.000 0.840 150 Q CB -0.194 28.448 28.738 -0.160 0.000 0.898 150 Q HN -0.691 7.382 8.270 -0.186 0.085 0.424 151 L N -0.847 120.279 121.223 -0.162 0.000 2.042 151 L HA -0.279 3.915 4.340 -0.243 0.000 0.210 151 L C 1.943 178.623 176.870 -0.318 0.000 1.076 151 L CA 3.068 57.784 54.840 -0.207 0.000 0.749 151 L CB -0.465 41.549 42.059 -0.075 0.000 0.893 151 L HN -0.422 7.734 8.230 -0.124 0.000 0.432 152 R N -2.084 118.211 120.500 -0.342 0.000 2.073 152 R HA -0.432 3.499 4.340 -0.682 0.000 0.234 152 R C 2.703 178.815 176.300 -0.314 0.000 1.134 152 R CA 3.809 59.615 56.100 -0.490 0.000 0.952 152 R CB -0.229 29.745 30.300 -0.543 0.000 0.850 152 R HN -0.535 7.477 8.270 -0.303 0.076 0.433 153 T N 0.894 115.304 114.554 -0.240 0.000 2.746 153 T HA -0.298 3.971 4.350 -0.135 0.000 0.267 153 T C 1.674 176.273 174.700 -0.168 0.000 1.039 153 T CA 4.391 66.391 62.100 -0.166 0.000 1.142 153 T CB -0.200 68.584 68.868 -0.140 0.000 0.866 153 T HN -0.146 7.949 8.240 -0.242 0.000 0.444 154 T N 3.624 118.034 114.554 -0.240 0.000 2.684 154 T HA -0.357 3.889 4.350 -0.174 0.000 0.267 154 T C 2.165 176.658 174.700 -0.343 0.000 1.036 154 T CA 4.367 66.286 62.100 -0.301 0.000 1.148 154 T CB 0.027 68.609 68.868 -0.477 0.000 0.863 154 T HN -0.062 8.024 8.240 -0.255 0.000 0.436 155 L N -2.156 118.816 121.223 -0.417 0.000 2.465 155 L HA -0.121 4.061 4.340 -0.264 0.000 0.224 155 L C 1.389 178.238 176.870 -0.035 0.000 1.145 155 L CA 1.512 56.202 54.840 -0.250 0.000 0.834 155 L CB -0.853 41.089 42.059 -0.194 0.000 0.944 155 L HN -0.076 7.887 8.230 -0.445 0.000 0.451 156 E N 0.464 120.644 120.200 -0.034 0.000 2.147 156 E HA -0.361 4.038 4.350 0.081 0.000 0.199 156 E C 1.129 177.735 176.600 0.010 0.000 1.005 156 E CA 2.429 58.838 56.400 0.015 0.000 0.810 156 E CB -0.334 29.351 29.700 -0.024 0.000 0.736 156 E HN -0.573 7.516 8.360 -0.104 0.209 0.460 157 G N -1.038 107.759 108.800 -0.005 0.000 3.591 157 G HA2 0.074 4.038 3.960 0.007 0.000 0.282 157 G HA3 0.074 4.039 3.960 0.008 0.000 0.282 157 G C -0.953 173.957 174.900 0.017 0.000 1.238 157 G CA -0.161 44.943 45.100 0.007 0.000 0.993 157 G HN -0.592 7.663 8.290 -0.024 0.021 0.542 158 T N -1.549 113.013 114.554 0.012 0.000 2.816 158 T HA 0.364 4.724 4.350 0.017 0.000 0.299 158 T C -2.323 172.370 174.700 -0.012 0.000 1.230 158 T CA -3.130 58.978 62.100 0.013 0.000 1.007 158 T CB 1.364 70.255 68.868 0.038 0.000 1.289 158 T HN -0.422 7.653 8.240 0.009 0.171 0.508 159 P HA 0.026 4.423 4.420 -0.039 0.000 0.242 159 P C -0.863 176.394 177.300 -0.071 0.000 1.197 159 P CA -0.048 63.032 63.100 -0.033 0.000 0.765 159 P CB -0.156 31.538 31.700 -0.010 0.000 0.936 160 A N 0.398 123.171 122.820 -0.078 0.000 2.545 160 A HA -0.174 4.156 4.320 0.018 0.000 0.253 160 A C -0.751 176.568 177.584 -0.441 0.000 1.074 160 A CA 1.001 52.972 52.037 -0.110 0.000 0.760 160 A CB 0.449 19.344 19.000 -0.175 0.000 1.005 160 A HN -0.686 7.351 8.150 -0.049 0.084 0.506 161 T N 4.612 118.926 114.554 -0.400 0.000 2.910 161 T HA 0.175 3.880 4.350 -1.075 0.000 0.279 161 T C -0.858 173.388 174.700 -0.756 0.000 0.989 161 T CA -0.601 61.072 62.100 -0.713 0.000 0.968 161 T CB 2.045 70.753 68.868 -0.267 0.000 1.135 161 T HN -0.102 8.068 8.240 -0.117 0.000 0.562 162 Y N -3.940 116.418 120.300 0.097 0.000 2.853 162 Y HA 0.549 5.338 4.550 0.096 -0.181 0.326 162 Y C -0.852 175.078 175.900 0.050 0.000 1.384 162 Y CA -1.392 56.761 58.100 0.088 0.000 1.077 162 Y CB 0.705 39.222 38.460 0.094 0.000 1.395 162 Y HN -0.036 8.054 8.280 -0.317 0.000 0.451 163 Q N 0.134 120.075 119.800 0.234 0.000 1.911 163 Q HA -0.018 4.387 4.340 0.108 0.000 0.202 163 Q C 0.675 176.756 176.000 0.136 0.000 0.976 163 Q CA 1.509 57.393 55.803 0.135 0.000 0.845 163 Q CB 0.779 29.567 28.738 0.083 0.000 0.903 163 Q HN 0.690 9.116 8.270 0.260 0.000 0.437 164 G N -3.681 105.188 108.800 0.115 0.000 2.977 164 G HA2 -0.117 3.890 3.960 0.078 0.000 0.211 164 G HA3 -0.117 3.897 3.960 0.090 0.000 0.211 164 G C -1.478 173.464 174.900 0.070 0.000 0.994 164 G CA -0.144 45.008 45.100 0.087 0.000 0.795 164 G HN 0.362 8.714 8.290 0.103 0.000 0.518 165 D N -1.055 119.398 120.400 0.089 0.000 2.848 165 D HA 0.209 4.914 4.640 0.108 0.000 0.303 165 D C -2.196 174.182 176.300 0.130 0.000 1.665 165 D CA 0.261 54.333 54.000 0.120 0.000 0.807 165 D CB 1.220 42.101 40.800 0.135 0.000 1.288 165 D HN -0.021 8.401 8.370 0.087 0.000 0.441 166 V N -1.297 118.637 119.914 0.032 0.000 2.882 166 V HA 0.534 4.642 4.120 -0.376 -0.214 0.295 166 V C -2.760 173.213 176.094 -0.201 0.000 1.273 166 V CA -0.756 61.395 62.300 -0.247 0.000 0.949 166 V CB 2.832 34.411 31.823 -0.407 0.000 1.071 166 V HN -0.831 7.394 8.190 0.058 0.000 0.432 167 Y N 3.889 123.853 120.300 -0.560 0.000 2.655 167 Y HA 0.450 4.754 4.550 -0.411 0.000 0.336 167 Y C -3.228 172.228 175.900 -0.740 0.000 1.154 167 Y CA -2.351 55.457 58.100 -0.488 0.000 1.055 167 Y CB 1.694 40.006 38.460 -0.247 0.000 1.295 167 Y HN 0.857 8.547 8.280 -0.803 0.108 0.465 168 Y N -2.914 117.162 120.300 -0.374 0.000 2.528 168 Y HA 0.953 5.221 4.550 -0.804 -0.200 0.335 168 Y C 0.073 175.421 175.900 -0.920 0.000 1.093 168 Y CA -1.840 55.835 58.100 -0.708 0.000 1.134 168 Y CB 3.888 41.967 38.460 -0.635 0.000 1.253 168 Y HN 0.802 9.005 8.280 0.037 0.099 0.478 169 C N -1.003 117.582 119.300 -1.192 0.000 2.802 169 C HA 0.546 4.416 4.460 -1.172 -0.113 0.307 169 C C -2.200 171.848 174.990 -1.569 0.000 1.222 169 C CA -1.604 56.596 59.018 -1.365 0.000 1.580 169 C CB 4.634 31.595 27.740 -1.299 0.000 2.119 169 C HN 0.024 7.477 8.230 -1.294 0.000 0.479 170 A N 0.519 122.715 122.820 -1.040 0.000 2.393 170 A HA 0.605 4.578 4.320 -0.578 0.000 0.306 170 A C -1.934 175.588 177.584 -0.103 0.000 1.050 170 A CA -1.767 49.951 52.037 -0.532 0.000 0.724 170 A CB 3.066 21.933 19.000 -0.222 0.000 1.248 170 A HN 0.817 8.443 8.150 -0.874 0.000 0.424 171 G N 1.608 110.467 108.800 0.099 0.000 4.314 171 G HA2 -0.034 4.004 3.960 0.130 0.000 0.166 171 G HA3 -0.034 4.082 3.960 0.261 0.000 0.166 171 G C -0.912 174.162 174.900 0.291 0.000 1.213 171 G CA 1.271 46.490 45.100 0.198 0.000 1.027 171 G HN 0.492 8.855 8.290 0.123 0.000 0.352 172 Y N 1.406 121.810 120.300 0.173 0.000 2.728 172 Y HA -0.454 4.177 4.550 0.135 0.000 0.481 172 Y C -0.980 174.961 175.900 0.068 0.000 1.108 172 Y CA 1.895 60.069 58.100 0.123 0.000 2.921 172 Y CB -1.091 37.433 38.460 0.108 0.000 1.016 172 Y HN 0.087 8.578 8.280 0.352 0.000 0.580 173 D N 1.881 122.453 120.400 0.287 0.000 2.488 173 D HA 0.155 4.873 4.640 0.130 0.000 0.238 173 D C -1.788 174.562 176.300 0.084 0.000 1.138 173 D CA -0.096 53.981 54.000 0.128 0.000 0.873 173 D CB -0.181 40.640 40.800 0.036 0.000 1.183 173 D HN -0.186 8.286 8.370 0.262 0.055 0.458 174 P HA 0.235 4.677 4.420 0.037 0.000 0.277 174 P C -1.923 175.356 177.300 -0.035 0.000 1.240 174 P CA -1.759 61.359 63.100 0.030 0.000 0.798 174 P CB -0.250 31.480 31.700 0.049 0.000 0.979 175 P HA 0.084 4.190 4.420 -0.523 0.000 0.263 175 P C -1.544 175.831 177.300 0.125 0.000 1.601 175 P CA 0.096 63.098 63.100 -0.164 0.000 1.161 175 P CB -0.898 30.792 31.700 -0.016 0.000 1.730 176 M N 2.309 121.961 119.600 0.087 0.000 3.150 176 M HA 0.150 4.739 4.480 0.182 0.000 0.198 176 M C -0.201 176.218 176.300 0.198 0.000 1.867 176 M CA 0.485 55.875 55.300 0.150 0.000 1.442 176 M CB 1.821 34.472 32.600 0.084 0.000 1.090 176 M HN -0.395 7.886 8.290 -0.016 0.000 0.600 177 K N 2.139 122.622 120.400 0.138 0.000 2.234 177 K HA 0.390 4.816 4.320 0.177 0.000 0.277 177 K C -1.794 174.926 176.600 0.199 0.000 1.038 177 K CA -2.900 53.482 56.287 0.158 0.000 0.888 177 K CB 0.768 33.329 32.500 0.102 0.000 1.091 177 K HN -0.082 8.220 8.250 0.087 0.000 0.467 178 P HA 0.120 4.727 4.420 0.312 0.000 0.277 178 P C -0.448 177.079 177.300 0.378 0.000 1.276 178 P CA -0.289 63.031 63.100 0.367 0.000 0.788 178 P CB 0.603 32.578 31.700 0.457 0.000 1.114 179 Y N -6.012 114.347 120.300 0.100 0.000 4.538 179 Y HA -0.330 4.254 4.550 0.057 0.000 0.225 179 Y C -0.201 175.719 175.900 0.033 0.000 1.074 179 Y CA 0.910 59.045 58.100 0.059 0.000 1.942 179 Y CB -1.924 36.568 38.460 0.052 0.000 1.618 179 Y HN 0.416 8.708 8.280 0.019 0.000 0.642 180 G N -4.878 103.993 108.800 0.119 0.000 2.801 180 G HA2 0.085 4.085 3.960 0.066 0.000 0.191 180 G HA3 0.085 4.087 3.960 0.070 0.000 0.191 180 G C -1.294 173.610 174.900 0.007 0.000 1.223 180 G CA 0.412 45.550 45.100 0.064 0.000 0.904 180 G HN 0.227 8.524 8.290 0.098 0.052 0.789 181 R N -0.247 120.235 120.500 -0.030 0.000 2.604 181 R HA 0.454 4.763 4.340 -0.051 0.000 0.287 181 R C -0.503 175.735 176.300 -0.103 0.000 0.970 181 R CA -1.197 54.856 56.100 -0.077 0.000 0.946 181 R CB 1.341 31.553 30.300 -0.146 0.000 1.127 181 R HN -0.208 8.050 8.270 -0.019 0.000 0.473 182 R N 0.343 120.780 120.500 -0.104 0.000 2.532 182 R HA 0.212 4.430 4.340 -0.204 0.000 0.297 182 R C -1.391 174.801 176.300 -0.180 0.000 0.984 182 R CA -0.475 55.528 56.100 -0.162 0.000 0.884 182 R CB 2.094 32.314 30.300 -0.133 0.000 1.182 182 R HN 0.211 8.439 8.270 -0.071 0.000 0.442 183 N N 4.359 122.852 118.700 -0.345 0.000 2.400 183 N HA 0.550 5.427 4.740 -0.033 -0.157 0.288 183 N C -1.371 173.821 175.510 -0.530 0.000 1.024 183 N CA -0.814 52.087 53.050 -0.249 0.000 0.894 183 N CB 2.717 41.193 38.487 -0.019 0.000 1.173 183 N HN 0.531 8.614 8.380 -0.496 0.000 0.487 184 E N 1.990 122.111 120.200 -0.132 0.000 2.314 184 E HA 0.528 4.963 4.350 -0.064 -0.124 0.272 184 E C -2.012 174.563 176.600 -0.043 0.000 0.884 184 E CA -1.195 55.200 56.400 -0.008 0.000 0.753 184 E CB 4.722 34.535 29.700 0.189 0.000 1.213 184 E HN 0.306 8.639 8.360 -0.045 0.000 0.432 185 V N 1.458 121.457 119.914 0.142 0.000 2.444 185 V HA 0.369 4.335 4.120 -0.432 -0.105 0.294 185 V C -1.109 175.131 176.094 0.243 0.000 1.022 185 V CA -1.071 61.214 62.300 -0.024 0.000 0.850 185 V CB 1.201 33.099 31.823 0.126 0.000 0.992 185 V HN 0.299 8.686 8.190 0.328 0.000 0.426 186 W N 5.793 127.119 121.300 0.043 0.000 2.429 186 W HA 0.486 5.444 4.660 0.100 -0.238 0.314 186 W C -1.370 175.217 176.519 0.114 0.000 1.062 186 W CA -4.228 53.152 57.345 0.058 0.000 1.211 186 W CB 0.988 30.422 29.460 -0.042 0.000 1.305 186 W HN 0.678 8.464 8.180 -0.488 0.100 0.476 187 L N 1.928 123.353 121.223 0.336 0.000 2.312 187 L HA 0.086 4.567 4.340 0.235 0.000 0.281 187 L C -0.885 176.094 176.870 0.182 0.000 1.070 187 L CA -0.725 54.268 54.840 0.254 0.000 0.805 187 L CB 1.204 43.425 42.059 0.269 0.000 1.174 187 L HN 0.405 8.876 8.230 0.402 0.000 0.434 188 V N 1.777 121.783 119.914 0.155 0.000 2.446 188 V HA -0.175 3.984 4.120 0.066 0.000 0.276 188 V C -0.504 175.640 176.094 0.083 0.000 1.030 188 V CA -0.279 62.077 62.300 0.093 0.000 1.033 188 V CB -0.892 30.968 31.823 0.061 0.000 0.993 188 V HN 0.177 8.448 8.190 0.136 0.000 0.477 189 K N 8.737 129.126 120.400 -0.018 0.000 2.339 189 K HA -0.037 4.509 4.320 0.071 -0.183 0.286 189 K C -0.813 175.788 176.600 0.002 0.000 1.050 189 K CA -0.089 56.192 56.287 -0.010 0.000 0.956 189 K CB 1.330 33.765 32.500 -0.109 0.000 0.990 189 K HN -0.429 7.763 8.250 -0.097 0.000 0.475 190 A N 0.000 122.828 122.820 0.013 0.000 2.254 190 A HA 0.000 4.335 4.320 0.025 0.000 0.244 190 A CA 0.000 52.045 52.037 0.013 0.000 0.836 190 A CB 0.000 19.013 19.000 0.021 0.000 0.831 190 A HN 0.000 8.250 8.150 0.008 -0.096 0.486