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 2a55_1_A DATA FIRST_RESID 0 DATA SEQUENCE MNcGPPPTLS FAAPMDITLT ETRFKTGTTL KYTcLPGYVR SHSTQTLTcN DATA SEQUENCE SDGEWVYNTF cIYKRcRHPG ELRNGQVEIK TDLSFGSQIE FScSEGFFLI DATA SEQUENCE GSTTSRcEVQ DRGVGWSHPL PQcEILEHHH HHH 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 0 M HA 0.000 4.472 4.480 -0.013 0.000 0.227 0 M C 0.000 176.290 176.300 -0.017 0.000 1.140 0 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 0 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 1 N N 1.428 120.118 118.700 -0.016 0.000 2.471 1 N HA 0.325 5.059 4.740 -0.011 0.000 0.288 1 N C -0.391 175.066 175.510 -0.088 0.000 1.220 1 N CA -0.709 52.333 53.050 -0.013 0.000 0.893 1 N CB 3.071 41.590 38.487 0.053 0.000 1.256 1 N HN 0.025 8.398 8.380 -0.012 0.000 0.534 2 c N -0.097 118.380 118.600 -0.206 0.000 2.618 2 c HA 0.061 4.435 4.570 -0.327 0.000 0.264 2 c C -0.177 173.797 174.090 -0.193 0.000 1.334 2 c CA -0.556 55.513 56.329 -0.432 0.000 1.731 2 c CB -1.524 40.251 42.510 -1.225 0.000 1.852 2 c HN 0.516 8.647 8.230 -0.164 0.000 0.566 3 G N -1.559 107.284 108.800 0.071 0.000 2.719 3 G HA2 -0.226 3.842 3.960 0.180 0.000 0.686 3 G HA3 -0.226 3.819 3.960 0.142 0.000 0.686 3 G C -2.882 172.296 174.900 0.463 0.000 1.201 3 G CA -0.755 44.469 45.100 0.207 0.000 0.768 3 G HN -0.483 8.018 8.290 0.101 -0.151 0.629 4 P HA 0.031 4.784 4.420 0.556 0.000 0.259 4 P C -2.058 175.496 177.300 0.423 0.000 1.163 4 P CA -0.689 62.667 63.100 0.426 0.000 0.760 4 P CB 0.061 31.912 31.700 0.252 0.000 0.762 5 P HA -0.021 4.303 4.420 -0.160 0.000 0.258 5 P C -1.809 175.512 177.300 0.035 0.000 1.187 5 P CA -0.820 62.232 63.100 -0.079 0.000 0.767 5 P CB -0.122 31.291 31.700 -0.478 0.000 0.770 6 P HA -0.060 4.413 4.420 0.089 0.000 0.280 6 P C -0.994 176.301 177.300 -0.009 0.000 1.278 6 P CA -0.485 62.659 63.100 0.073 0.000 0.787 6 P CB 0.680 32.450 31.700 0.117 0.000 1.163 7 T N 0.833 115.377 114.554 -0.018 0.000 2.799 7 T HA 0.102 4.429 4.350 -0.037 0.000 0.286 7 T C -0.193 174.399 174.700 -0.179 0.000 0.973 7 T CA 0.308 62.372 62.100 -0.060 0.000 1.035 7 T CB 0.708 69.561 68.868 -0.024 0.000 0.932 7 T HN -0.046 8.199 8.240 0.009 0.000 0.469 8 L N 6.977 128.015 121.223 -0.308 0.000 2.294 8 L HA 0.226 4.100 4.340 -0.777 0.000 0.283 8 L C 0.248 176.815 176.870 -0.506 0.000 1.015 8 L CA -0.420 54.014 54.840 -0.678 0.000 0.831 8 L CB 0.239 41.716 42.059 -0.971 0.000 1.217 8 L HN 0.390 8.496 8.230 -0.206 0.000 0.420 9 S N 3.479 118.938 115.700 -0.402 0.000 2.447 9 S HA -0.191 4.252 4.470 -0.044 0.000 0.233 9 S C -0.108 174.534 174.600 0.070 0.000 1.006 9 S CA 2.558 60.703 58.200 -0.092 0.000 0.957 9 S CB 0.373 63.585 63.200 0.020 0.000 0.773 9 S HN 0.473 8.529 8.310 -0.423 0.000 0.507 10 F N -3.082 116.950 119.950 0.137 0.000 2.974 10 F HA 0.425 5.335 4.527 0.638 0.000 0.292 10 F C -1.980 173.812 175.800 -0.013 0.000 1.209 10 F CA -2.309 55.843 58.000 0.255 0.000 1.366 10 F CB -1.341 37.738 39.000 0.132 0.000 1.033 10 F HN -0.524 7.111 8.300 -1.041 0.041 0.516 11 A N -2.240 120.555 122.820 -0.042 0.000 2.317 11 A HA 0.160 4.497 4.320 -0.107 -0.081 0.291 11 A C -2.941 174.668 177.584 0.042 0.000 1.003 11 A CA -0.117 51.895 52.037 -0.041 0.000 0.557 11 A CB 1.291 20.326 19.000 0.059 0.000 1.504 11 A HN -0.805 7.275 8.150 0.044 0.096 0.616 12 A N -3.464 119.461 122.820 0.175 0.000 2.583 12 A HA 0.479 4.913 4.320 0.190 0.000 0.298 12 A C -3.572 174.043 177.584 0.052 0.000 1.055 12 A CA -1.321 50.810 52.037 0.156 0.000 0.714 12 A CB 1.724 20.761 19.000 0.061 0.000 1.277 12 A HN -0.005 8.301 8.150 0.260 0.000 0.406 13 P HA -0.003 3.634 4.420 -1.305 0.000 0.266 13 P C -1.272 175.826 177.300 -0.337 0.000 1.186 13 P CA 0.968 63.704 63.100 -0.607 0.000 0.767 13 P CB 0.716 32.171 31.700 -0.409 0.000 0.820 14 M N -0.302 119.079 119.600 -0.364 0.000 2.198 14 M HA 0.048 4.434 4.480 -0.157 0.000 0.326 14 M C -0.775 175.417 176.300 -0.180 0.000 0.924 14 M CA 1.621 56.796 55.300 -0.209 0.000 1.118 14 M CB 1.471 33.969 32.600 -0.171 0.000 1.947 14 M HN 0.159 8.140 8.290 -0.516 0.000 0.662 15 D N -1.652 118.615 120.400 -0.222 0.000 4.991 15 D HA 0.031 4.596 4.640 -0.124 0.000 0.326 15 D C -1.306 174.897 176.300 -0.163 0.000 1.824 15 D CA -0.033 53.873 54.000 -0.156 0.000 0.989 15 D CB 0.934 41.661 40.800 -0.122 0.000 1.588 15 D HN -0.610 7.570 8.370 -0.317 0.000 0.697 16 I N 2.795 123.293 120.570 -0.120 0.000 6.364 16 I HA -0.241 3.908 4.170 -0.035 0.000 0.126 16 I C -0.960 175.129 176.117 -0.047 0.000 1.442 16 I CA 0.426 61.679 61.300 -0.078 0.000 2.500 16 I CB 0.491 38.419 38.000 -0.119 0.000 2.730 16 I HN 0.073 8.221 8.210 -0.103 0.000 0.290 17 T N 4.779 119.323 114.554 -0.017 0.000 2.750 17 T HA -0.150 4.186 4.350 -0.024 0.000 0.277 17 T C 1.056 175.771 174.700 0.025 0.000 0.996 17 T CA 0.452 62.549 62.100 -0.006 0.000 1.195 17 T CB 0.321 69.189 68.868 0.000 0.000 0.963 17 T HN 0.148 8.380 8.240 -0.015 0.000 0.516 18 L N 6.297 127.527 121.223 0.012 0.000 2.801 18 L HA 0.018 4.417 4.340 0.097 0.000 0.250 18 L C 0.327 177.224 176.870 0.044 0.000 1.222 18 L CA -0.368 54.499 54.840 0.045 0.000 1.054 18 L CB -2.934 39.135 42.059 0.016 0.000 1.330 18 L HN 0.427 8.649 8.230 -0.013 0.000 0.426 19 T N -3.688 110.884 114.554 0.030 0.000 3.107 19 T HA 0.029 4.385 4.350 0.009 0.000 0.249 19 T C 0.759 175.453 174.700 -0.010 0.000 1.096 19 T CA -0.207 61.898 62.100 0.009 0.000 1.012 19 T CB 0.924 69.791 68.868 -0.001 0.000 0.977 19 T HN -0.389 7.723 8.240 0.032 0.148 0.527 20 E N 1.352 121.545 120.200 -0.013 0.000 2.285 20 E HA 0.152 4.428 4.350 -0.124 0.000 0.254 20 E C -0.326 176.190 176.600 -0.140 0.000 1.011 20 E CA -1.008 55.313 56.400 -0.132 0.000 0.873 20 E CB 1.592 31.131 29.700 -0.268 0.000 1.229 20 E HN -0.486 7.821 8.360 0.044 0.079 0.422 21 T N -4.466 109.916 114.554 -0.286 0.000 3.048 21 T HA 0.079 4.439 4.350 0.016 0.000 0.254 21 T C -0.783 173.776 174.700 -0.235 0.000 0.942 21 T CA 0.751 62.767 62.100 -0.139 0.000 0.931 21 T CB 1.565 70.403 68.868 -0.051 0.000 1.220 21 T HN -0.073 7.942 8.240 -0.375 0.000 0.503 22 R N -0.409 119.788 120.500 -0.505 0.000 2.854 22 R HA 0.258 4.897 4.340 -0.013 -0.306 0.271 22 R C -1.277 174.587 176.300 -0.727 0.000 0.996 22 R CA -1.283 54.609 56.100 -0.346 0.000 0.961 22 R CB 2.642 32.873 30.300 -0.114 0.000 1.182 22 R HN -0.598 7.364 8.270 -0.514 0.000 0.479 23 F N -1.714 118.359 119.950 0.205 0.000 2.974 23 F HA 0.119 4.743 4.527 0.160 0.000 0.357 23 F C -1.041 174.858 175.800 0.165 0.000 1.114 23 F CA -0.829 57.308 58.000 0.229 0.000 1.099 23 F CB 1.708 40.961 39.000 0.422 0.000 1.205 23 F HN -0.027 8.626 8.300 0.376 -0.127 0.535 24 K N -4.294 116.246 120.400 0.233 0.000 1.135 24 K HA -0.348 4.191 4.320 0.052 -0.188 0.764 24 K C 0.586 177.247 176.600 0.102 0.000 1.864 24 K CA 0.746 57.100 56.287 0.111 0.000 1.361 24 K CB -0.881 31.670 32.500 0.086 0.000 2.469 24 K HN -0.658 7.714 8.250 0.204 0.000 0.418 25 T N -3.036 111.540 114.554 0.037 0.000 2.754 25 T HA -0.294 4.164 4.350 -0.002 -0.109 0.286 25 T C 1.649 176.399 174.700 0.085 0.000 0.997 25 T CA 0.310 62.427 62.100 0.028 0.000 0.982 25 T CB 0.371 69.237 68.868 -0.003 0.000 1.027 25 T HN 0.129 8.382 8.240 0.021 0.000 0.529 26 G N -0.008 108.846 108.800 0.090 0.000 2.377 26 G HA2 -0.515 3.496 3.960 0.085 0.000 0.250 26 G HA3 -0.515 3.494 3.960 0.081 0.000 0.250 26 G C -0.067 174.914 174.900 0.136 0.000 1.039 26 G CA 0.476 45.635 45.100 0.098 0.000 0.625 26 G HN 0.183 8.518 8.290 0.076 0.000 0.526 27 T N 2.676 117.346 114.554 0.194 0.000 2.724 27 T HA -0.090 4.369 4.350 0.182 0.000 0.324 27 T C -1.358 173.468 174.700 0.211 0.000 1.071 27 T CA 2.417 64.658 62.100 0.235 0.000 1.061 27 T CB 0.720 69.816 68.868 0.380 0.000 0.990 27 T HN -0.504 7.724 8.240 0.200 0.132 0.543 28 T N 5.206 119.842 114.554 0.137 0.000 3.395 28 T HA 0.276 4.895 4.350 0.095 -0.212 0.330 28 T C -1.136 173.552 174.700 -0.019 0.000 1.076 28 T CA -0.660 61.481 62.100 0.067 0.000 1.070 28 T CB 1.812 70.713 68.868 0.055 0.000 1.119 28 T HN -0.028 8.290 8.240 0.131 0.000 0.462 29 L N 6.106 127.273 121.223 -0.095 0.000 2.657 29 L HA 0.261 4.516 4.340 -0.141 0.000 0.240 29 L C -0.057 176.755 176.870 -0.097 0.000 1.151 29 L CA -1.038 53.720 54.840 -0.138 0.000 0.831 29 L CB 0.527 42.469 42.059 -0.196 0.000 1.539 29 L HN -0.096 8.080 8.230 -0.090 0.000 0.511 30 K N -1.962 118.363 120.400 -0.126 0.000 2.409 30 K HA 0.055 4.298 4.320 -0.129 0.000 0.237 30 K C -0.968 175.587 176.600 -0.074 0.000 1.083 30 K CA -0.113 56.093 56.287 -0.135 0.000 0.914 30 K CB 1.487 33.887 32.500 -0.168 0.000 1.300 30 K HN 0.003 8.133 8.250 -0.199 0.000 0.454 31 Y N -5.596 114.577 120.300 -0.212 0.000 2.540 31 Y HA -0.363 4.253 4.550 -0.157 -0.160 0.022 31 Y C -0.306 175.485 175.900 -0.182 0.000 1.737 31 Y CA 0.683 58.669 58.100 -0.191 0.000 1.396 31 Y CB -0.708 37.635 38.460 -0.195 0.000 2.043 31 Y HN -0.137 7.936 8.280 -0.344 0.000 0.259 32 T N -0.385 114.189 114.554 0.032 0.000 2.905 32 T HA 0.367 4.684 4.350 -0.056 0.000 0.283 32 T C -1.780 172.915 174.700 -0.008 0.000 1.031 32 T CA -2.509 59.580 62.100 -0.019 0.000 1.002 32 T CB 3.145 71.985 68.868 -0.047 0.000 1.200 32 T HN 0.915 9.072 8.240 0.045 0.110 0.560 33 c N 1.426 119.971 118.600 -0.091 0.000 2.322 33 c HA 0.291 4.621 4.570 -0.401 0.000 0.324 33 c C -0.212 173.772 174.090 -0.175 0.000 1.249 33 c CA -1.206 54.931 56.329 -0.320 0.000 1.453 33 c CB 0.401 42.640 42.510 -0.452 0.000 2.145 33 c HN 0.186 8.373 8.230 -0.072 0.000 0.466 34 L N 3.866 125.080 121.223 -0.015 0.000 2.477 34 L HA 0.007 4.439 4.340 0.154 0.000 0.289 34 L C -1.420 175.630 176.870 0.299 0.000 1.279 34 L CA -0.404 54.594 54.840 0.263 0.000 0.825 34 L CB -0.157 42.194 42.059 0.486 0.000 1.085 34 L HN 0.412 8.592 8.230 -0.085 0.000 0.548 35 P HA -0.086 4.368 4.420 0.055 0.000 0.274 35 P C -1.102 176.156 177.300 -0.070 0.000 1.291 35 P CA 0.717 63.869 63.100 0.087 0.000 0.815 35 P CB -0.674 31.080 31.700 0.090 0.000 0.897 36 G N 0.749 109.349 108.800 -0.333 0.000 3.254 36 G HA2 -0.160 3.536 3.960 -0.439 0.000 0.219 36 G HA3 -0.160 2.696 3.960 -1.839 0.000 0.219 36 G C -1.496 172.735 174.900 -1.114 0.000 0.964 36 G CA 0.305 44.829 45.100 -0.960 0.000 0.823 36 G HN -0.374 7.837 8.290 -0.131 0.000 0.579 37 Y N 0.622 120.525 120.300 -0.661 0.000 2.301 37 Y HA -0.040 4.476 4.550 -0.289 -0.139 0.328 37 Y C -0.048 175.793 175.900 -0.097 0.000 1.242 37 Y CA 1.259 59.185 58.100 -0.290 0.000 1.323 37 Y CB 0.922 39.324 38.460 -0.097 0.000 1.266 37 Y HN -0.942 7.327 8.280 -0.020 0.000 0.527 38 V N -3.929 116.072 119.914 0.145 0.000 3.856 38 V HA 0.368 4.614 4.120 0.211 0.000 0.302 38 V C -0.738 175.495 176.094 0.232 0.000 1.389 38 V CA -3.475 58.953 62.300 0.214 0.000 0.964 38 V CB 2.284 34.291 31.823 0.307 0.000 1.227 38 V HN 0.587 8.739 8.190 0.129 0.115 0.474 39 R N -0.216 120.455 120.500 0.285 0.000 4.190 39 R HA -0.408 3.978 4.340 0.076 0.000 0.233 39 R C -0.540 175.723 176.300 -0.061 0.000 0.471 39 R CA 1.597 57.764 56.100 0.111 0.000 0.966 39 R CB -1.101 29.302 30.300 0.172 0.000 0.942 39 R HN 0.482 9.044 8.270 0.486 0.000 0.304 40 S N 1.368 116.970 115.700 -0.163 0.000 2.848 40 S HA -0.043 4.349 4.470 -0.130 0.000 0.163 40 S C -1.004 173.565 174.600 -0.051 0.000 0.810 40 S CA 0.433 58.577 58.200 -0.094 0.000 1.607 40 S CB -0.014 63.197 63.200 0.019 0.000 1.189 40 S HN 0.052 8.160 8.310 -0.338 0.000 0.610 41 H N 0.363 119.489 119.070 0.094 0.000 3.091 41 H HA -0.011 4.619 4.556 0.123 0.000 0.289 41 H C -1.032 174.341 175.328 0.075 0.000 0.995 41 H CA 0.292 56.394 56.048 0.090 0.000 1.461 41 H CB -0.747 29.050 29.762 0.059 0.000 1.510 41 H HN -0.170 7.844 8.280 -0.443 0.000 0.546 42 S N 4.355 120.147 115.700 0.153 0.000 2.475 42 S HA 0.139 4.666 4.470 0.095 0.000 0.270 42 S C -1.239 173.417 174.600 0.093 0.000 1.026 42 S CA 0.594 58.854 58.200 0.100 0.000 1.437 42 S CB 1.485 64.723 63.200 0.063 0.000 1.215 42 S HN 0.439 8.868 8.310 0.199 0.000 0.648 43 T N 1.552 116.168 114.554 0.102 0.000 2.661 43 T HA 0.187 4.512 4.350 -0.043 0.000 0.305 43 T C -2.449 172.048 174.700 -0.339 0.000 1.535 43 T CA -0.379 61.711 62.100 -0.017 0.000 1.000 43 T CB 1.515 70.436 68.868 0.087 0.000 1.811 43 T HN -0.504 7.835 8.240 0.165 0.000 0.471 44 Q N -2.158 117.215 119.800 -0.710 0.000 4.098 44 Q HA 0.193 2.387 4.340 -3.575 0.000 0.106 44 Q C -2.749 172.791 176.000 -0.766 0.000 0.728 44 Q CA 0.211 55.139 55.803 -1.458 0.000 0.900 44 Q CB -0.515 27.722 28.738 -0.835 0.000 1.506 44 Q HN 0.150 8.178 8.270 -0.403 0.000 0.442 45 T N -3.715 110.521 114.554 -0.530 0.000 3.012 45 T HA 0.156 4.490 4.350 -0.196 -0.101 0.330 45 T C -1.813 172.843 174.700 -0.072 0.000 1.321 45 T CA -0.907 61.070 62.100 -0.205 0.000 1.067 45 T CB 2.639 71.450 68.868 -0.096 0.000 1.235 45 T HN -0.577 7.348 8.240 -0.525 0.000 0.479 46 L N 3.551 124.734 121.223 -0.068 0.000 2.276 46 L HA 0.303 4.785 4.340 0.236 0.000 0.286 46 L C -0.403 176.604 176.870 0.229 0.000 1.024 46 L CA -0.594 54.269 54.840 0.038 0.000 0.826 46 L CB 1.441 43.314 42.059 -0.309 0.000 1.211 46 L HN 0.345 8.522 8.230 -0.088 0.000 0.422 47 T N 6.468 121.285 114.554 0.437 0.000 2.823 47 T HA 0.425 5.227 4.350 0.444 -0.186 0.279 47 T C -1.481 173.513 174.700 0.489 0.000 0.998 47 T CA -0.537 61.825 62.100 0.437 0.000 0.994 47 T CB 2.320 71.333 68.868 0.241 0.000 0.960 47 T HN -0.194 8.319 8.240 0.455 0.000 0.448 48 c N 7.935 126.720 118.600 0.308 0.000 2.624 48 c HA 0.194 4.441 4.570 -0.539 0.000 0.397 48 c C -0.480 173.562 174.090 -0.080 0.000 1.331 48 c CA -0.880 55.313 56.329 -0.227 0.000 1.716 48 c CB -1.550 40.720 42.510 -0.399 0.000 2.452 48 c HN 0.645 9.126 8.230 0.419 0.000 0.586 49 N N 9.439 128.079 118.700 -0.101 0.000 2.495 49 N HA 0.058 4.791 4.740 -0.012 0.000 0.294 49 N C -0.727 174.734 175.510 -0.082 0.000 1.276 49 N CA -0.576 52.444 53.050 -0.049 0.000 0.973 49 N CB 0.870 39.343 38.487 -0.024 0.000 1.143 49 N HN -0.123 8.162 8.380 -0.159 0.000 0.589 50 S N -2.082 113.587 115.700 -0.053 0.000 2.694 50 S HA 0.197 4.627 4.470 -0.066 0.000 0.211 50 S C -1.190 173.377 174.600 -0.054 0.000 1.328 50 S CA -0.423 57.745 58.200 -0.053 0.000 1.236 50 S CB -0.453 62.728 63.200 -0.032 0.000 1.121 50 S HN 0.186 8.475 8.310 -0.035 0.000 0.517 51 D N 1.410 121.766 120.400 -0.073 0.000 2.434 51 D HA 0.156 4.766 4.640 -0.050 0.000 0.288 51 D C 0.371 176.627 176.300 -0.074 0.000 1.083 51 D CA 0.853 54.814 54.000 -0.064 0.000 0.903 51 D CB 2.540 43.303 40.800 -0.061 0.000 1.476 51 D HN -0.273 8.046 8.370 -0.097 -0.008 0.502 52 G N -0.849 107.884 108.800 -0.112 0.000 2.559 52 G HA2 -0.178 3.710 3.960 -0.119 0.000 0.202 52 G HA3 -0.178 3.734 3.960 -0.080 0.000 0.202 52 G C -1.669 173.128 174.900 -0.172 0.000 0.992 52 G CA 0.150 45.180 45.100 -0.117 0.000 0.764 52 G HN -0.188 8.018 8.290 -0.140 0.000 0.525 53 E N -3.821 116.243 120.200 -0.227 0.000 2.310 53 E HA 0.344 4.594 4.350 -0.470 -0.182 0.243 53 E C -2.258 174.098 176.600 -0.407 0.000 1.027 53 E CA -1.900 54.311 56.400 -0.316 0.000 0.887 53 E CB 1.613 31.272 29.700 -0.068 0.000 1.828 53 E HN -0.932 7.317 8.360 -0.185 0.000 0.456 54 W N -0.964 120.373 121.300 0.062 0.000 2.335 54 W HA 0.363 5.249 4.660 0.104 -0.164 0.307 54 W C 0.146 176.692 176.519 0.045 0.000 1.117 54 W CA -1.068 56.346 57.345 0.115 0.000 1.228 54 W CB 0.977 30.554 29.460 0.194 0.000 1.240 54 W HN 0.041 8.316 8.180 0.160 0.000 0.468 55 V N 4.021 124.065 119.914 0.217 0.000 2.834 55 V HA 0.354 4.318 4.120 -0.261 0.000 0.313 55 V C -1.722 174.455 176.094 0.138 0.000 1.060 55 V CA -1.136 61.154 62.300 -0.016 0.000 0.989 55 V CB 1.896 33.720 31.823 0.002 0.000 1.041 55 V HN 0.168 8.525 8.190 0.278 0.000 0.459 56 Y N -0.355 120.024 120.300 0.132 0.000 2.970 56 Y HA 0.126 4.762 4.550 0.144 0.000 0.396 56 Y C -1.920 174.045 175.900 0.109 0.000 1.171 56 Y CA -1.072 57.124 58.100 0.161 0.000 1.197 56 Y CB -0.187 38.434 38.460 0.269 0.000 1.550 56 Y HN -0.136 7.944 8.280 -0.334 0.000 0.470 57 N N 0.296 119.254 118.700 0.430 0.000 2.434 57 N HA 0.143 4.933 4.740 0.083 0.000 0.266 57 N C 0.203 175.795 175.510 0.137 0.000 1.223 57 N CA -0.803 52.383 53.050 0.226 0.000 0.972 57 N CB 0.807 39.417 38.487 0.205 0.000 1.207 57 N HN 0.236 8.931 8.380 0.524 0.000 0.525 58 T N 2.905 117.400 114.554 -0.099 0.000 3.591 58 T HA 0.155 4.119 4.350 -0.643 0.000 0.232 58 T C -1.238 173.302 174.700 -0.267 0.000 1.116 58 T CA -0.189 61.688 62.100 -0.373 0.000 1.063 58 T CB -1.907 66.742 68.868 -0.364 0.000 1.227 58 T HN 0.147 8.349 8.240 -0.063 0.000 0.685 59 F N -1.516 118.454 119.950 0.034 0.000 2.607 59 F HA -0.214 4.526 4.527 0.025 -0.198 0.374 59 F C 0.383 176.214 175.800 0.051 0.000 1.104 59 F CA -0.983 57.038 58.000 0.036 0.000 1.296 59 F CB -0.336 38.681 39.000 0.028 0.000 1.085 59 F HN -0.739 7.277 8.300 -0.343 0.078 0.584 60 c N 0.262 118.998 118.600 0.226 0.000 1.143 60 c HA -0.321 4.402 4.570 0.254 0.000 0.182 60 c C -0.443 173.875 174.090 0.380 0.000 0.512 60 c CA 0.219 56.692 56.329 0.240 0.000 2.768 60 c CB -1.532 41.008 42.510 0.050 0.000 2.407 60 c HN -0.091 8.141 8.230 0.223 0.132 0.669 61 I N -1.880 118.886 120.570 0.327 0.000 2.410 61 I HA 0.462 4.814 4.170 0.304 0.000 0.286 61 I C -1.565 174.587 176.117 0.057 0.000 1.009 61 I CA -1.696 59.729 61.300 0.209 0.000 1.111 61 I CB 2.191 40.205 38.000 0.023 0.000 1.262 61 I HN -0.397 7.961 8.210 0.247 0.000 0.443 62 Y N 9.778 129.905 120.300 -0.288 0.000 2.605 62 Y HA -0.136 4.352 4.550 -0.475 -0.223 0.336 62 Y C -0.120 175.643 175.900 -0.228 0.000 1.111 62 Y CA 0.766 58.575 58.100 -0.485 0.000 1.422 62 Y CB -0.329 37.676 38.460 -0.758 0.000 1.193 62 Y HN 0.641 8.904 8.280 -0.028 0.000 0.526 63 K N 6.466 126.906 120.400 0.067 0.000 2.805 63 K HA 0.243 4.595 4.320 0.054 0.000 0.276 63 K C -1.882 174.734 176.600 0.026 0.000 1.209 63 K CA -0.547 55.758 56.287 0.030 0.000 1.065 63 K CB 0.999 33.454 32.500 -0.074 0.000 1.363 63 K HN 0.044 8.271 8.250 -0.039 0.000 0.546 64 R N 0.779 121.317 120.500 0.063 0.000 2.531 64 R HA 0.573 4.983 4.340 -0.019 -0.081 0.260 64 R C -0.489 175.776 176.300 -0.059 0.000 1.144 64 R CA -1.019 55.084 56.100 0.005 0.000 1.171 64 R CB 1.435 31.763 30.300 0.046 0.000 1.199 64 R HN -0.196 8.148 8.270 0.123 0.000 0.594 65 c N -1.259 117.261 118.600 -0.133 0.000 2.411 65 c HA 0.263 4.754 4.570 -0.132 0.000 0.330 65 c C 0.563 174.682 174.090 0.049 0.000 1.224 65 c CA -0.727 55.496 56.329 -0.176 0.000 1.770 65 c CB 1.466 43.531 42.510 -0.743 0.000 2.297 65 c HN 0.281 8.428 8.230 -0.137 0.000 0.507 66 R N 3.241 123.862 120.500 0.200 0.000 2.585 66 R HA -0.102 4.350 4.340 0.186 0.000 0.275 66 R C -0.738 175.761 176.300 0.333 0.000 1.018 66 R CA -0.529 55.722 56.100 0.251 0.000 1.072 66 R CB 0.355 30.800 30.300 0.242 0.000 0.953 66 R HN 0.338 8.721 8.270 0.188 0.000 0.419 67 H N 6.506 125.709 119.070 0.221 0.000 3.070 67 H HA -0.089 4.614 4.556 0.244 0.000 0.313 67 H C -0.885 174.481 175.328 0.065 0.000 0.997 67 H CA -0.309 55.841 56.048 0.171 0.000 1.438 67 H CB -0.141 29.681 29.762 0.100 0.000 1.455 67 H HN 0.375 8.963 8.280 0.514 0.000 0.575 68 P HA -0.154 4.106 4.420 -0.267 0.000 0.220 68 P C -0.150 177.123 177.300 -0.045 0.000 1.144 68 P CA 0.424 63.426 63.100 -0.163 0.000 0.800 68 P CB 0.787 32.321 31.700 -0.277 0.000 0.772 69 G N -1.807 107.020 108.800 0.045 0.000 2.466 69 G HA2 -0.239 3.745 3.960 0.041 0.000 0.316 69 G HA3 -0.239 3.717 3.960 -0.007 0.000 0.316 69 G C -2.023 172.890 174.900 0.022 0.000 1.270 69 G CA -0.729 44.387 45.100 0.026 0.000 0.982 69 G HN -0.347 7.965 8.290 0.114 0.046 0.506 70 E N -0.126 120.073 120.200 -0.001 0.000 2.338 70 E HA -0.050 4.310 4.350 0.016 0.000 0.272 70 E C -0.355 176.235 176.600 -0.016 0.000 1.029 70 E CA -0.480 55.918 56.400 -0.003 0.000 0.872 70 E CB 0.675 30.366 29.700 -0.016 0.000 1.015 70 E HN 0.078 8.430 8.360 -0.014 0.000 0.417 71 L N 5.689 126.913 121.223 0.002 0.000 2.302 71 L HA 0.185 4.495 4.340 -0.051 0.000 0.285 71 L C -1.275 175.560 176.870 -0.058 0.000 1.090 71 L CA -1.082 53.747 54.840 -0.019 0.000 0.866 71 L CB 0.395 42.484 42.059 0.050 0.000 1.244 71 L HN 0.384 8.628 8.230 0.022 0.000 0.435 72 R N 6.038 126.479 120.500 -0.098 0.000 2.458 72 R HA -0.219 4.064 4.340 -0.097 0.000 0.303 72 R C -0.720 175.463 176.300 -0.195 0.000 1.013 72 R CA 1.142 57.166 56.100 -0.128 0.000 1.026 72 R CB 0.082 30.299 30.300 -0.139 0.000 0.948 72 R HN 0.047 8.255 8.270 -0.103 0.000 0.417 73 N N -1.569 117.025 118.700 -0.177 0.000 2.771 73 N HA -0.349 4.323 4.740 -0.115 0.000 0.249 73 N C -1.696 173.742 175.510 -0.121 0.000 1.069 73 N CA 0.903 53.814 53.050 -0.231 0.000 0.688 73 N CB -0.687 37.386 38.487 -0.690 0.000 0.928 73 N HN 0.356 8.666 8.380 -0.118 0.000 0.551 74 G N -3.612 105.167 108.800 -0.034 0.000 2.441 74 G HA2 0.210 4.418 3.960 0.051 0.000 0.294 74 G HA3 0.210 4.125 3.960 0.010 0.051 0.294 74 G C -2.656 172.273 174.900 0.049 0.000 1.393 74 G CA 0.853 45.966 45.100 0.022 0.000 0.796 74 G HN -0.596 7.678 8.290 -0.027 0.000 0.494 75 Q N -1.667 118.184 119.800 0.085 0.000 3.412 75 Q HA 0.226 4.603 4.340 0.062 0.000 0.219 75 Q C -1.001 175.051 176.000 0.087 0.000 0.913 75 Q CA -1.583 54.264 55.803 0.074 0.000 0.722 75 Q CB 1.355 30.126 28.738 0.056 0.000 1.385 75 Q HN -0.061 8.277 8.270 0.114 0.000 0.461 76 V N 4.116 124.100 119.914 0.117 0.000 2.583 76 V HA -0.390 3.765 4.120 0.058 0.000 0.302 76 V C 0.419 176.476 176.094 -0.062 0.000 1.033 76 V CA 1.250 63.580 62.300 0.048 0.000 1.194 76 V CB -0.574 31.302 31.823 0.089 0.000 0.879 76 V HN -0.042 8.225 8.190 0.130 0.000 0.482 77 E N 9.269 129.365 120.200 -0.173 0.000 1.791 77 E HA -0.133 4.186 4.350 -0.051 0.000 0.263 77 E C -2.019 174.522 176.600 -0.100 0.000 1.213 77 E CA -0.156 56.176 56.400 -0.113 0.000 0.991 77 E CB -0.602 29.026 29.700 -0.120 0.000 1.068 77 E HN 0.130 8.187 8.360 -0.320 0.111 0.417 78 I N 4.944 125.494 120.570 -0.033 0.000 2.607 78 I HA 0.141 4.308 4.170 -0.006 0.000 0.305 78 I C -0.802 175.330 176.117 0.024 0.000 0.995 78 I CA -1.508 59.797 61.300 0.009 0.000 1.148 78 I CB 2.835 40.875 38.000 0.067 0.000 1.323 78 I HN -0.199 7.982 8.210 -0.013 0.021 0.461 79 K N 4.927 125.345 120.400 0.030 0.000 2.639 79 K HA -0.010 4.335 4.320 0.042 0.000 0.155 79 K C -0.102 176.517 176.600 0.031 0.000 2.086 79 K CA 0.773 57.079 56.287 0.031 0.000 1.353 79 K CB -0.009 32.499 32.500 0.014 0.000 2.331 79 K HN 0.500 8.768 8.250 0.031 0.000 0.554 80 T N -0.182 114.382 114.554 0.017 0.000 3.361 80 T HA -0.028 4.328 4.350 0.010 0.000 0.251 80 T C -0.357 174.350 174.700 0.012 0.000 1.131 80 T CA 0.348 62.453 62.100 0.007 0.000 1.001 80 T CB -0.055 68.805 68.868 -0.014 0.000 1.003 80 T HN -0.468 7.778 8.240 0.010 0.000 0.558 81 D N -2.755 117.667 120.400 0.037 0.000 3.067 81 D HA -0.429 4.262 4.640 0.084 0.000 0.216 81 D C -1.505 174.772 176.300 -0.039 0.000 1.162 81 D CA 1.788 55.812 54.000 0.040 0.000 0.960 81 D CB -0.889 39.954 40.800 0.072 0.000 1.129 81 D HN 0.165 8.439 8.370 0.051 0.127 0.408 82 L N -6.776 114.429 121.223 -0.031 0.000 3.468 82 L HA -0.451 3.873 4.340 -0.027 0.000 0.537 82 L C -1.402 175.409 176.870 -0.097 0.000 1.321 82 L CA 0.537 55.343 54.840 -0.056 0.000 0.899 82 L CB -2.304 39.725 42.059 -0.051 0.000 1.635 82 L HN -0.537 7.597 8.230 -0.005 0.094 0.856 83 S N -1.385 114.270 115.700 -0.074 0.000 2.489 83 S HA 0.065 4.508 4.470 -0.045 0.000 0.277 83 S C -0.018 174.545 174.600 -0.061 0.000 1.230 83 S CA -0.766 57.399 58.200 -0.058 0.000 1.053 83 S CB 0.838 64.004 63.200 -0.057 0.000 0.955 83 S HN -0.720 7.555 8.310 -0.059 0.000 0.488 84 F N 7.367 127.216 119.950 -0.168 0.000 2.613 84 F HA -0.535 3.844 4.527 -0.247 0.000 0.373 84 F C 1.089 176.820 175.800 -0.114 0.000 1.085 84 F CA 2.087 59.984 58.000 -0.171 0.000 1.309 84 F CB 0.318 39.239 39.000 -0.132 0.000 0.986 84 F HN -0.541 7.821 8.300 0.104 0.000 0.592 85 G N 6.222 114.368 108.800 -1.090 0.000 2.248 85 G HA2 -0.362 3.068 3.960 -0.883 0.000 0.252 85 G HA3 -0.362 3.234 3.960 -0.607 0.000 0.252 85 G C -1.799 172.889 174.900 -0.353 0.000 1.085 85 G CA -0.115 44.525 45.100 -0.768 0.000 0.845 85 G HN 0.003 7.534 8.290 -1.264 0.000 0.494 86 S N -3.444 112.072 115.700 -0.306 0.000 2.588 86 S HA 0.176 4.564 4.470 -0.136 0.000 0.275 86 S C -2.333 172.203 174.600 -0.107 0.000 1.130 86 S CA -1.365 56.736 58.200 -0.165 0.000 0.855 86 S CB 2.466 65.593 63.200 -0.121 0.000 1.116 86 S HN -0.505 7.571 8.310 -0.390 0.000 0.472 87 Q N 3.243 123.013 119.800 -0.050 0.000 2.337 87 Q HA 0.755 5.365 4.340 0.047 -0.241 0.266 87 Q C -1.566 174.429 176.000 -0.008 0.000 1.023 87 Q CA -1.225 54.578 55.803 0.001 0.000 0.829 87 Q CB 3.536 32.271 28.738 -0.005 0.000 1.306 87 Q HN 0.265 8.501 8.270 -0.056 0.000 0.449 88 I N 1.537 122.104 120.570 -0.005 0.000 2.439 88 I HA 0.567 4.659 4.170 -0.130 0.000 0.285 88 I C -1.069 174.796 176.117 -0.419 0.000 1.021 88 I CA -1.480 59.726 61.300 -0.157 0.000 1.091 88 I CB 1.747 39.677 38.000 -0.116 0.000 1.242 88 I HN 0.221 8.370 8.210 0.074 0.106 0.439 89 E N 4.962 124.948 120.200 -0.358 0.000 2.622 89 E HA 0.797 5.353 4.350 -0.231 -0.345 0.255 89 E C -0.207 175.977 176.600 -0.692 0.000 1.313 89 E CA -1.244 54.948 56.400 -0.347 0.000 1.011 89 E CB 1.810 31.454 29.700 -0.092 0.000 1.173 89 E HN -0.168 8.056 8.360 -0.226 0.000 0.601 90 F N -2.550 117.413 119.950 0.022 0.000 2.790 90 F HA 0.270 4.804 4.527 0.011 0.000 0.337 90 F C -1.547 174.266 175.800 0.022 0.000 1.163 90 F CA -0.876 57.132 58.000 0.012 0.000 0.997 90 F CB 3.780 42.777 39.000 -0.005 0.000 1.437 90 F HN -0.501 7.891 8.300 0.154 0.000 0.512 91 S N -1.074 114.768 115.700 0.237 0.000 2.545 91 S HA 0.132 4.691 4.470 0.149 0.000 0.259 91 S C -1.898 172.777 174.600 0.125 0.000 1.092 91 S CA -0.079 58.210 58.200 0.149 0.000 1.054 91 S CB 2.027 65.290 63.200 0.106 0.000 1.146 91 S HN 0.080 8.560 8.310 0.283 0.000 0.447 92 c N 4.178 122.852 118.600 0.123 0.000 2.499 92 c HA 0.078 4.872 4.570 0.072 -0.181 0.386 92 c C 1.672 175.874 174.090 0.188 0.000 1.293 92 c CA -0.841 55.561 56.329 0.122 0.000 1.884 92 c CB -0.784 41.792 42.510 0.109 0.000 2.509 92 c HN 0.458 8.769 8.230 0.135 0.000 0.566 93 S N 5.348 121.174 115.700 0.210 0.000 2.622 93 S HA -0.243 4.323 4.470 0.160 0.000 0.251 93 S C 1.477 176.223 174.600 0.243 0.000 1.402 93 S CA 1.089 59.430 58.200 0.234 0.000 0.972 93 S CB 0.776 64.142 63.200 0.276 0.000 0.913 93 S HN -0.110 8.183 8.310 0.158 0.112 0.573 94 E N 1.589 121.881 120.200 0.154 0.000 2.054 94 E HA -0.327 4.073 4.350 0.084 0.000 0.225 94 E C 2.107 178.705 176.600 -0.003 0.000 1.048 94 E CA 2.621 59.068 56.400 0.078 0.000 0.899 94 E CB -0.145 29.585 29.700 0.049 0.000 0.801 94 E HN 0.464 8.909 8.360 0.142 0.000 0.495 95 G N -2.246 106.431 108.800 -0.206 0.000 3.229 95 G HA2 -0.071 3.713 3.960 -0.293 0.000 0.214 95 G HA3 -0.071 3.400 3.960 -0.814 0.000 0.214 95 G C -1.832 172.467 174.900 -1.001 0.000 1.256 95 G CA 0.047 44.796 45.100 -0.586 0.000 1.042 95 G HN 0.245 8.448 8.290 -0.146 0.000 0.497 96 F N -3.863 116.165 119.950 0.130 0.000 2.686 96 F HA 0.340 5.149 4.527 0.233 -0.142 0.311 96 F C -2.013 173.929 175.800 0.236 0.000 1.128 96 F CA -1.157 56.936 58.000 0.156 0.000 0.946 96 F CB 4.231 43.247 39.000 0.026 0.000 1.336 96 F HN -0.855 7.261 8.300 0.075 0.229 0.457 97 F N -5.399 114.684 119.950 0.222 0.000 2.640 97 F HA 0.487 5.089 4.527 0.124 0.000 0.324 97 F C -2.148 173.713 175.800 0.101 0.000 1.077 97 F CA -3.315 54.763 58.000 0.130 0.000 0.965 97 F CB 2.542 41.596 39.000 0.089 0.000 1.351 97 F HN -0.077 8.373 8.300 0.250 0.000 0.487 98 L N 2.047 123.337 121.223 0.111 0.000 2.326 98 L HA 0.321 4.591 4.340 -0.116 0.000 0.278 98 L C -0.923 175.902 176.870 -0.075 0.000 1.092 98 L CA -0.771 54.056 54.840 -0.022 0.000 0.810 98 L CB 0.517 42.632 42.059 0.093 0.000 1.153 98 L HN 0.130 8.542 8.230 0.304 0.000 0.439 99 I N 1.787 122.249 120.570 -0.180 0.000 2.710 99 I HA 0.172 4.326 4.170 -0.026 0.000 0.290 99 I C -1.637 174.395 176.117 -0.142 0.000 1.318 99 I CA -0.753 60.468 61.300 -0.132 0.000 1.045 99 I CB 3.088 40.960 38.000 -0.214 0.000 1.307 99 I HN -0.179 7.901 8.210 -0.216 0.000 0.424 100 G N 6.921 115.660 108.800 -0.103 0.000 3.753 100 G HA2 -0.191 3.696 3.960 -0.123 0.000 0.196 100 G HA3 -0.191 3.677 3.960 -0.153 0.000 0.196 100 G C -1.937 172.850 174.900 -0.189 0.000 1.538 100 G CA 0.408 45.422 45.100 -0.143 0.000 1.040 100 G HN 0.224 8.477 8.290 -0.061 0.000 0.427 101 S N -1.381 114.232 115.700 -0.146 0.000 2.188 101 S HA 0.025 4.473 4.470 -0.037 0.000 0.261 101 S C -0.917 173.731 174.600 0.080 0.000 0.745 101 S CA -0.145 58.011 58.200 -0.074 0.000 0.907 101 S CB -0.297 62.793 63.200 -0.183 0.000 1.276 101 S HN -0.511 7.715 8.310 -0.139 0.000 0.393 102 T N 4.222 118.861 114.554 0.142 0.000 3.077 102 T HA -0.154 4.461 4.350 0.441 0.000 0.269 102 T C -0.348 174.564 174.700 0.354 0.000 1.146 102 T CA 1.390 63.670 62.100 0.299 0.000 1.091 102 T CB -0.114 68.863 68.868 0.182 0.000 0.892 102 T HN 0.232 8.525 8.240 0.088 0.000 0.533 103 T N -2.469 112.245 114.554 0.268 0.000 2.912 103 T HA 0.261 4.688 4.350 0.128 0.000 0.288 103 T C -1.380 173.497 174.700 0.295 0.000 1.030 103 T CA -2.010 60.210 62.100 0.200 0.000 1.020 103 T CB 2.186 71.120 68.868 0.110 0.000 1.056 103 T HN -0.862 7.417 8.240 0.201 0.081 0.480 104 S N 0.828 116.682 115.700 0.258 0.000 2.750 104 S HA 0.177 4.885 4.470 0.398 0.000 0.276 104 S C -1.135 173.746 174.600 0.468 0.000 1.165 104 S CA -0.258 58.189 58.200 0.411 0.000 1.047 104 S CB 2.440 65.869 63.200 0.382 0.000 1.056 104 S HN 0.161 8.563 8.310 0.152 0.000 0.481 105 R N 4.473 125.203 120.500 0.384 0.000 2.404 105 R HA 0.613 5.248 4.340 0.034 -0.274 0.291 105 R C -0.694 175.537 176.300 -0.115 0.000 1.025 105 R CA -0.939 55.227 56.100 0.110 0.000 0.991 105 R CB 1.883 32.200 30.300 0.028 0.000 1.053 105 R HN 0.134 8.632 8.270 0.379 0.000 0.479 106 c N 3.973 122.314 118.600 -0.431 0.000 2.281 106 c HA 0.222 4.043 4.570 -1.248 0.000 0.336 106 c C -0.571 173.297 174.090 -0.370 0.000 1.217 106 c CA 0.166 56.065 56.329 -0.716 0.000 1.730 106 c CB -0.784 41.347 42.510 -0.630 0.000 2.338 106 c HN 0.123 8.148 8.230 -0.342 0.000 0.521 107 E N 6.638 126.740 120.200 -0.162 0.000 2.264 107 E HA 0.401 4.946 4.350 0.326 0.000 0.260 107 E C -1.935 174.800 176.600 0.226 0.000 0.961 107 E CA -1.654 54.844 56.400 0.164 0.000 0.834 107 E CB 3.863 33.626 29.700 0.105 0.000 1.230 107 E HN 0.244 8.418 8.360 -0.309 0.000 0.412 108 V N 1.173 121.216 119.914 0.215 0.000 2.577 108 V HA 0.182 4.384 4.120 -0.035 -0.103 0.303 108 V C -2.008 174.063 176.094 -0.038 0.000 1.042 108 V CA -0.849 61.425 62.300 -0.043 0.000 0.872 108 V CB 2.858 34.444 31.823 -0.394 0.000 0.998 108 V HN 0.274 8.669 8.190 0.343 0.000 0.423 109 Q N 5.221 125.001 119.800 -0.033 0.000 2.323 109 Q HA 0.249 4.575 4.340 -0.023 0.000 0.271 109 Q C -0.366 175.613 176.000 -0.034 0.000 1.048 109 Q CA -1.166 54.624 55.803 -0.020 0.000 0.792 109 Q CB 2.526 31.271 28.738 0.012 0.000 1.280 109 Q HN 0.202 8.518 8.270 -0.033 -0.065 0.441 110 D N 4.025 124.402 120.400 -0.038 0.000 4.508 110 D HA -0.448 4.170 4.640 -0.037 0.000 0.178 110 D C -0.551 175.715 176.300 -0.057 0.000 0.644 110 D CA 2.521 56.498 54.000 -0.039 0.000 1.244 110 D CB -0.945 39.841 40.800 -0.023 0.000 0.727 110 D HN 0.614 8.964 8.370 -0.034 0.000 0.495 111 R N -1.289 119.180 120.500 -0.052 0.000 3.130 111 R HA 0.131 4.421 4.340 -0.084 0.000 0.261 111 R C -1.299 174.971 176.300 -0.049 0.000 1.683 111 R CA 0.065 56.128 56.100 -0.062 0.000 1.095 111 R CB 0.767 31.034 30.300 -0.055 0.000 1.421 111 R HN -0.161 8.086 8.270 -0.038 0.000 0.454 112 G N 4.370 113.136 108.800 -0.057 0.000 3.800 112 G HA2 -0.179 3.757 3.960 -0.039 0.000 0.221 112 G HA3 -0.179 3.767 3.960 -0.022 0.000 0.221 112 G C -1.692 173.187 174.900 -0.036 0.000 0.893 112 G CA 0.184 45.261 45.100 -0.038 0.000 0.986 112 G HN 0.219 8.461 8.290 -0.080 0.000 0.719 113 V N -2.422 117.454 119.914 -0.064 0.000 3.605 113 V HA -0.358 3.710 4.120 -0.087 0.000 0.515 113 V C -0.962 175.118 176.094 -0.023 0.000 0.682 113 V CA 0.646 62.906 62.300 -0.065 0.000 2.069 113 V CB -0.716 31.059 31.823 -0.079 0.000 2.488 113 V HN -0.547 7.590 8.190 -0.087 0.000 0.512 114 G N 3.166 111.961 108.800 -0.008 0.000 3.405 114 G HA2 0.348 4.355 3.960 0.079 0.000 0.318 114 G HA3 0.348 4.343 3.960 0.059 0.000 0.318 114 G C -1.153 173.815 174.900 0.114 0.000 1.597 114 G CA -0.580 44.554 45.100 0.056 0.000 1.022 114 G HN 0.265 8.412 8.290 -0.014 0.134 0.506 115 W N 2.629 123.966 121.300 0.063 0.000 2.576 115 W HA -0.369 4.337 4.660 0.076 0.000 0.339 115 W C 0.445 177.006 176.519 0.070 0.000 1.170 115 W CA 1.491 58.875 57.345 0.066 0.000 1.370 115 W CB 0.258 29.747 29.460 0.049 0.000 1.187 115 W HN 0.158 8.447 8.180 0.183 0.000 0.584 116 S N 0.617 116.663 115.700 0.576 0.000 2.502 116 S HA 0.007 4.633 4.470 0.260 0.000 0.228 116 S C -0.976 173.827 174.600 0.339 0.000 1.061 116 S CA 1.293 59.708 58.200 0.357 0.000 0.935 116 S CB 1.057 64.436 63.200 0.298 0.000 0.809 116 S HN 0.654 9.520 8.310 0.928 0.000 0.510 117 H N -0.687 118.514 119.070 0.218 0.000 3.129 117 H HA 0.159 4.708 4.556 -0.011 0.000 0.342 117 H C -2.850 172.352 175.328 -0.210 0.000 1.092 117 H CA -1.552 54.503 56.048 0.011 0.000 1.310 117 H CB 2.715 32.491 29.762 0.024 0.000 1.932 117 H HN -0.479 8.127 8.280 0.542 0.000 0.507 118 P HA 0.188 4.199 4.420 -0.682 0.000 0.346 118 P C -1.102 175.967 177.300 -0.385 0.000 1.325 118 P CA -1.350 61.433 63.100 -0.528 0.000 0.803 118 P CB 1.611 33.024 31.700 -0.479 0.000 1.856 119 L N -2.369 118.641 121.223 -0.354 0.000 2.573 119 L HA -0.076 3.857 4.340 -0.679 0.000 0.290 119 L C 0.003 176.580 176.870 -0.488 0.000 1.247 119 L CA -1.218 53.347 54.840 -0.458 0.000 0.876 119 L CB -2.546 39.353 42.059 -0.267 0.000 1.123 119 L HN 0.193 8.244 8.230 -0.298 0.000 0.505 120 P HA 0.218 4.559 4.420 -0.132 0.000 0.330 120 P C -0.849 176.292 177.300 -0.264 0.000 1.414 120 P CA -0.415 62.459 63.100 -0.377 0.000 0.878 120 P CB 1.451 32.845 31.700 -0.511 0.000 2.176 121 Q N -0.895 118.754 119.800 -0.251 0.000 2.294 121 Q HA 0.226 4.433 4.340 -0.222 0.000 0.264 121 Q C -1.566 174.261 176.000 -0.287 0.000 0.992 121 Q CA -1.459 54.204 55.803 -0.233 0.000 0.747 121 Q CB 1.996 30.623 28.738 -0.185 0.000 1.262 121 Q HN 0.216 8.329 8.270 -0.262 0.000 0.452 122 c N 6.209 124.638 118.600 -0.285 0.000 2.225 122 c HA 0.481 5.091 4.570 -0.308 -0.225 0.328 122 c C -0.549 173.373 174.090 -0.281 0.000 1.187 122 c CA -0.872 55.278 56.329 -0.299 0.000 1.665 122 c CB -0.646 41.680 42.510 -0.306 0.000 2.253 122 c HN 0.467 8.534 8.230 -0.272 0.000 0.497 123 E N 5.613 125.675 120.200 -0.229 0.000 2.238 123 E HA 0.292 4.706 4.350 0.107 0.000 0.267 123 E C -1.300 175.523 176.600 0.371 0.000 0.887 123 E CA -2.072 54.344 56.400 0.027 0.000 0.769 123 E CB 4.019 33.667 29.700 -0.085 0.000 1.187 123 E HN -0.304 7.761 8.360 -0.492 0.000 0.416 124 I N 4.254 125.157 120.570 0.555 0.000 2.872 124 I HA -0.115 4.373 4.170 0.024 -0.304 0.291 124 I C 0.051 176.373 176.117 0.342 0.000 1.216 124 I CA 0.549 62.006 61.300 0.261 0.000 1.424 124 I CB 0.825 38.853 38.000 0.047 0.000 1.351 124 I HN 0.330 8.844 8.210 0.506 0.000 0.592 125 L N 6.293 127.662 121.223 0.244 0.000 2.416 125 L HA -0.074 4.388 4.340 0.203 0.000 0.212 125 L C 1.114 178.079 176.870 0.158 0.000 1.200 125 L CA 0.652 55.603 54.840 0.187 0.000 0.841 125 L CB 0.288 42.399 42.059 0.086 0.000 1.299 125 L HN 0.071 8.360 8.230 0.099 0.000 0.538 126 E N -3.172 117.092 120.200 0.106 0.000 2.481 126 E HA -0.082 4.364 4.350 0.160 0.000 0.198 126 E C -1.218 175.482 176.600 0.167 0.000 1.027 126 E CA 0.541 57.020 56.400 0.131 0.000 0.900 126 E CB 0.454 30.195 29.700 0.068 0.000 0.993 126 E HN 0.131 8.514 8.360 0.038 0.000 0.482 127 H N 1.975 121.082 119.070 0.061 0.000 2.466 127 H HA 0.261 4.763 4.556 -0.089 0.000 0.338 127 H C -1.503 173.897 175.328 0.119 0.000 1.091 127 H CA 0.106 56.159 56.048 0.008 0.000 1.207 127 H CB 0.850 30.602 29.762 -0.018 0.000 1.466 127 H HN -0.547 7.799 8.280 0.209 0.059 0.493 128 H N 1.188 120.005 119.070 -0.422 0.000 3.038 128 H HA 0.355 4.919 4.556 0.014 0.000 0.362 128 H C -1.667 173.535 175.328 -0.209 0.000 1.167 128 H CA -0.747 55.214 56.048 -0.146 0.000 1.197 128 H CB 1.646 31.453 29.762 0.075 0.000 1.840 128 H HN 0.152 7.764 8.280 -1.112 0.000 0.540 129 H N -1.142 117.897 119.070 -0.052 0.000 3.230 129 H HA 0.256 4.701 4.556 -0.186 0.000 0.259 129 H C 0.107 175.401 175.328 -0.056 0.000 1.195 129 H CA -0.229 55.756 56.048 -0.104 0.000 1.112 129 H CB 0.926 30.651 29.762 -0.061 0.000 1.638 129 H HN 0.367 8.692 8.280 0.075 0.000 0.624 130 H N -0.612 118.258 119.070 -0.333 0.000 2.546 130 H HA -0.132 4.194 4.556 -0.384 0.000 0.277 130 H C -0.590 174.646 175.328 -0.153 0.000 1.004 130 H CA 0.330 56.202 56.048 -0.293 0.000 1.231 130 H CB 0.083 29.706 29.762 -0.232 0.000 1.382 130 H HN 0.168 8.471 8.280 0.038 0.000 0.580 131 H N -0.431 118.241 119.070 -0.664 0.000 2.771 131 H HA 0.152 4.429 4.556 -0.465 0.000 0.361 131 H C -1.365 173.757 175.328 -0.344 0.000 1.108 131 H CA -0.520 55.219 56.048 -0.517 0.000 1.201 131 H CB 2.549 31.989 29.762 -0.538 0.000 1.681 131 H HN -0.268 7.674 8.280 -0.455 0.065 0.534 132 H N 0.000 118.724 119.070 -0.576 0.000 2.539 132 H HA 0.000 4.459 4.556 -0.161 0.000 0.296 132 H CA 0.000 55.860 56.048 -0.313 0.000 1.023 132 H CB 0.000 29.591 29.762 -0.285 0.000 1.292 132 H HN 0.000 7.620 8.280 -1.099 0.000 0.496