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 2ivw_1_A DATA FIRST_RESID 69 DATA SEQUENCE ETDKKGENAP DTKRIKETLE KFSLENMRYV GILKSGQKVS GFIEAEGYVY DATA SEQUENCE TVGVGNYLGQ NYGRIESITD DSIVLNELIE DSTGNWVSRK AELLLNSSDK DATA SEQUENCE NTEQAAAPAA EQN 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 69 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 69 E C 0.000 176.599 176.600 -0.001 0.000 1.382 69 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 69 E CB 0.000 29.700 29.700 -0.001 0.000 0.812 70 T N 3.900 118.453 114.554 -0.002 0.000 2.848 70 T HA 0.331 4.680 4.350 -0.002 0.000 0.285 70 T C -1.281 173.417 174.700 -0.003 0.000 0.995 70 T CA -0.346 61.753 62.100 -0.002 0.000 0.970 70 T CB 0.851 69.718 68.868 -0.002 0.000 0.976 70 T HN 0.089 8.327 8.240 -0.002 0.000 0.441 71 D N 3.357 123.755 120.400 -0.003 0.000 2.342 71 D HA 0.064 4.701 4.640 -0.004 0.000 0.243 71 D C -0.662 175.635 176.300 -0.005 0.000 1.019 71 D CA -0.236 53.761 54.000 -0.004 0.000 0.864 71 D CB 1.624 42.422 40.800 -0.003 0.000 1.315 71 D HN 0.094 8.463 8.370 -0.002 0.000 0.468 72 K N 2.607 123.003 120.400 -0.007 0.000 2.592 72 K HA 0.197 4.511 4.320 -0.009 0.000 0.212 72 K C -1.283 175.311 176.600 -0.010 0.000 1.013 72 K CA -0.220 56.062 56.287 -0.009 0.000 1.034 72 K CB -0.604 31.889 32.500 -0.011 0.000 1.292 72 K HN 0.198 8.444 8.250 -0.006 0.000 0.521 73 K N 0.376 120.770 120.400 -0.009 0.000 2.512 73 K HA 0.227 4.540 4.320 -0.012 0.000 0.263 73 K C -0.029 176.564 176.600 -0.011 0.000 0.966 73 K CA -0.230 56.051 56.287 -0.010 0.000 0.851 73 K CB 2.094 34.590 32.500 -0.006 0.000 1.395 73 K HN 0.071 8.316 8.250 -0.008 0.000 0.440 74 G N 2.184 110.976 108.800 -0.013 0.000 3.444 74 G HA2 0.246 4.193 3.960 -0.021 0.000 0.315 74 G HA3 0.246 4.198 3.960 -0.014 0.000 0.315 74 G C -0.434 174.465 174.900 -0.003 0.000 1.079 74 G CA -0.375 44.717 45.100 -0.013 0.000 1.500 74 G HN 0.258 8.540 8.290 -0.013 0.000 0.518 75 E N 1.203 121.405 120.200 0.003 0.000 2.359 75 E HA -0.040 4.315 4.350 0.009 0.000 0.255 75 E C -0.308 176.304 176.600 0.019 0.000 1.191 75 E CA -1.163 55.243 56.400 0.009 0.000 0.952 75 E CB 0.977 30.682 29.700 0.007 0.000 1.152 75 E HN -0.498 7.863 8.360 0.001 0.000 0.496 76 N N -0.152 118.561 118.700 0.022 0.000 2.605 76 N HA -0.123 4.644 4.740 0.046 0.000 0.282 76 N C -1.625 173.902 175.510 0.030 0.000 1.206 76 N CA 0.242 53.311 53.050 0.032 0.000 1.074 76 N CB -1.426 37.076 38.487 0.025 0.000 1.434 76 N HN 0.140 8.531 8.380 0.018 0.000 0.506 77 A N 4.326 127.167 122.820 0.035 0.000 2.479 77 A HA 0.580 4.917 4.320 0.028 0.000 0.296 77 A C -2.152 175.459 177.584 0.045 0.000 1.121 77 A CA -1.135 50.921 52.037 0.032 0.000 0.743 77 A CB 0.730 19.742 19.000 0.022 0.000 1.323 77 A HN -0.171 7.974 8.150 0.039 0.028 0.415 78 P HA 0.193 4.656 4.420 0.071 0.000 0.288 78 P C -1.572 175.759 177.300 0.051 0.000 1.291 78 P CA -0.302 62.830 63.100 0.053 0.000 0.766 78 P CB 0.420 32.145 31.700 0.042 0.000 1.242 79 D N -3.201 117.233 120.400 0.058 0.000 2.732 79 D HA 0.143 4.805 4.640 0.037 0.000 0.292 79 D C -0.772 175.555 176.300 0.045 0.000 1.135 79 D CA -0.438 53.592 54.000 0.050 0.000 1.071 79 D CB 0.994 41.833 40.800 0.066 0.000 1.457 79 D HN -0.022 8.387 8.370 0.065 0.000 0.547 80 T N -1.211 113.366 114.554 0.039 0.000 2.883 80 T HA 0.159 4.528 4.350 0.032 0.000 0.284 80 T C 0.108 174.829 174.700 0.035 0.000 1.041 80 T CA -1.718 60.402 62.100 0.032 0.000 1.007 80 T CB 1.711 70.592 68.868 0.022 0.000 1.220 80 T HN -0.242 8.021 8.240 0.038 0.000 0.552 81 K N -0.511 119.905 120.400 0.026 0.000 2.365 81 K HA -0.124 4.213 4.320 0.028 0.000 0.199 81 K C 0.584 177.195 176.600 0.019 0.000 1.045 81 K CA 0.885 57.186 56.287 0.023 0.000 0.962 81 K CB 0.113 32.623 32.500 0.016 0.000 0.759 81 K HN 0.055 8.318 8.250 0.022 0.000 0.469 82 R N -0.385 120.125 120.500 0.018 0.000 2.873 82 R HA -0.150 4.196 4.340 0.011 0.000 0.267 82 R C -0.351 175.959 176.300 0.017 0.000 1.009 82 R CA 0.961 57.070 56.100 0.014 0.000 1.152 82 R CB 0.288 30.596 30.300 0.012 0.000 1.047 82 R HN -0.475 7.755 8.270 0.019 0.052 0.470 83 I N -5.521 115.056 120.570 0.013 0.000 3.067 83 I HA 0.548 4.850 4.170 0.017 -0.122 0.312 83 I C -1.003 175.119 176.117 0.008 0.000 1.073 83 I CA -2.746 58.562 61.300 0.012 0.000 1.016 83 I CB 2.012 40.018 38.000 0.010 0.000 1.227 83 I HN -0.077 8.139 8.210 0.011 0.000 0.456 84 K N 2.076 122.480 120.400 0.006 0.000 2.167 84 K HA -0.073 4.235 4.320 -0.020 0.000 0.214 84 K C -0.670 175.917 176.600 -0.023 0.000 1.024 84 K CA 1.528 57.806 56.287 -0.016 0.000 0.951 84 K CB 0.428 32.913 32.500 -0.024 0.000 0.907 84 K HN 0.334 8.947 8.250 0.012 -0.356 0.459 85 E N -2.568 117.626 120.200 -0.010 0.000 2.232 85 E HA 0.269 4.614 4.350 -0.009 0.000 0.264 85 E C 1.086 177.695 176.600 0.015 0.000 0.973 85 E CA -0.887 55.513 56.400 0.001 0.000 0.849 85 E CB 1.460 31.184 29.700 0.040 0.000 1.198 85 E HN -0.346 8.020 8.360 0.010 0.000 0.407 86 T N 5.220 119.787 114.554 0.021 0.000 2.897 86 T HA -0.257 4.172 4.350 0.131 0.000 0.271 86 T C 1.540 176.257 174.700 0.028 0.000 1.084 86 T CA 3.572 65.722 62.100 0.083 0.000 1.123 86 T CB -0.260 68.749 68.868 0.233 0.000 0.865 86 T HN 0.746 9.009 8.240 0.038 0.000 0.496 87 L N -1.037 120.010 121.223 -0.293 0.000 2.456 87 L HA -0.218 3.689 4.340 -0.721 0.000 0.224 87 L C 1.590 178.444 176.870 -0.027 0.000 1.148 87 L CA 1.850 56.429 54.840 -0.436 0.000 0.825 87 L CB -1.734 39.850 42.059 -0.792 0.000 0.937 87 L HN 0.175 8.195 8.230 -0.283 0.041 0.450 88 E N -0.736 119.473 120.200 0.016 0.000 2.150 88 E HA -0.223 4.098 4.350 -0.049 0.000 0.193 88 E C 0.901 177.513 176.600 0.020 0.000 0.985 88 E CA 2.509 58.909 56.400 0.000 0.000 0.814 88 E CB -0.283 29.414 29.700 -0.005 0.000 0.752 88 E HN -0.099 8.071 8.360 0.009 0.196 0.466 89 K N -4.290 116.151 120.400 0.067 0.000 2.525 89 K HA -0.099 4.160 4.320 -0.102 0.000 0.192 89 K C 0.112 176.546 176.600 -0.276 0.000 1.029 89 K CA 0.588 56.806 56.287 -0.114 0.000 1.029 89 K CB -0.041 32.340 32.500 -0.198 0.000 0.814 89 K HN -0.675 7.652 8.250 0.160 0.019 0.503 90 F N -1.298 118.585 119.950 -0.113 0.000 2.458 90 F HA 0.141 4.633 4.527 -0.058 0.000 0.330 90 F C -0.833 174.906 175.800 -0.101 0.000 1.082 90 F CA -1.449 56.492 58.000 -0.099 0.000 0.995 90 F CB 2.225 41.144 39.000 -0.134 0.000 1.170 90 F HN -0.617 7.668 8.300 0.335 0.216 0.478 91 S N -0.759 114.998 115.700 0.095 0.000 2.722 91 S HA 0.156 4.731 4.470 0.001 -0.105 0.292 91 S C 0.320 174.947 174.600 0.043 0.000 1.135 91 S CA -1.880 56.340 58.200 0.033 0.000 1.003 91 S CB 1.968 65.174 63.200 0.011 0.000 1.067 91 S HN 0.100 8.473 8.310 0.106 0.000 0.546 92 L N 2.893 124.124 121.223 0.013 0.000 2.056 92 L HA -0.145 4.205 4.340 0.017 0.000 0.207 92 L C 1.643 178.534 176.870 0.035 0.000 1.078 92 L CA 2.528 57.378 54.840 0.017 0.000 0.749 92 L CB 0.174 42.234 42.059 0.002 0.000 0.901 92 L HN 0.099 8.523 8.230 -0.003 -0.196 0.433 93 E N -3.344 116.875 120.200 0.031 0.000 2.219 93 E HA -0.436 3.933 4.350 0.032 0.000 0.198 93 E C 0.788 177.420 176.600 0.053 0.000 0.998 93 E CA 2.938 59.359 56.400 0.036 0.000 0.818 93 E CB -0.984 28.732 29.700 0.027 0.000 0.741 93 E HN 0.375 8.748 8.360 0.023 0.000 0.477 94 N N -3.642 115.102 118.700 0.073 0.000 2.368 94 N HA -0.072 4.722 4.740 0.091 0.000 0.176 94 N C 0.140 175.721 175.510 0.117 0.000 1.021 94 N CA 0.874 53.987 53.050 0.105 0.000 0.888 94 N CB 0.762 39.342 38.487 0.154 0.000 0.995 94 N HN -0.674 7.589 8.380 0.069 0.159 0.437 95 M N 0.522 120.186 119.600 0.106 0.000 2.252 95 M HA -0.043 4.757 4.480 0.152 -0.229 0.348 95 M C -0.235 176.124 176.300 0.098 0.000 1.334 95 M CA 0.869 56.239 55.300 0.117 0.000 1.071 95 M CB -0.635 32.025 32.600 0.100 0.000 1.763 95 M HN -0.766 7.465 8.290 0.090 0.112 0.452 96 R N 1.078 121.647 120.500 0.115 0.000 2.707 96 R HA 0.259 4.658 4.340 0.098 0.000 0.272 96 R C -2.474 173.929 176.300 0.173 0.000 1.011 96 R CA -1.554 54.614 56.100 0.114 0.000 0.893 96 R CB 4.773 35.130 30.300 0.094 0.000 1.233 96 R HN 0.206 8.558 8.270 0.137 0.000 0.464 97 Y N 3.392 123.694 120.300 0.003 0.000 2.480 97 Y HA 0.016 4.560 4.550 -0.011 0.000 0.341 97 Y C 0.372 176.264 175.900 -0.013 0.000 1.031 97 Y CA -0.940 57.156 58.100 -0.006 0.000 1.295 97 Y CB -0.099 38.357 38.460 -0.007 0.000 1.162 97 Y HN 0.511 8.931 8.280 0.234 0.000 0.523 98 V N 5.144 125.064 119.914 0.009 0.000 2.788 98 V HA 0.315 4.354 4.120 -0.134 0.000 0.241 98 V C -0.262 175.625 176.094 -0.345 0.000 1.083 98 V CA -0.290 61.911 62.300 -0.165 0.000 1.103 98 V CB 1.171 32.892 31.823 -0.169 0.000 0.800 98 V HN 0.096 8.403 8.190 0.194 0.000 0.476 99 G N -1.640 106.913 108.800 -0.411 0.000 2.450 99 G HA2 0.145 3.933 3.960 -0.286 0.000 0.273 99 G HA3 0.145 3.767 3.960 -0.563 0.000 0.273 99 G C -3.418 171.387 174.900 -0.159 0.000 1.221 99 G CA 0.249 45.107 45.100 -0.403 0.000 0.900 99 G HN -0.449 7.705 8.290 -0.226 0.000 0.483 100 I N -4.202 116.368 120.570 -0.000 0.000 3.074 100 I HA 0.874 5.398 4.170 0.255 -0.201 0.310 100 I C -1.915 174.313 176.117 0.185 0.000 1.153 100 I CA -2.500 58.889 61.300 0.149 0.000 0.993 100 I CB 3.901 41.957 38.000 0.094 0.000 1.237 100 I HN 0.051 8.226 8.210 -0.059 0.000 0.443 101 L N 1.438 122.762 121.223 0.167 0.000 2.388 101 L HA 0.501 4.928 4.340 0.145 0.000 0.264 101 L C -1.556 175.355 176.870 0.067 0.000 0.998 101 L CA -1.846 53.077 54.840 0.138 0.000 0.817 101 L CB 4.852 46.996 42.059 0.141 0.000 1.338 101 L HN 0.804 9.006 8.230 0.133 0.108 0.414 102 K N 3.543 123.975 120.400 0.053 0.000 2.270 102 K HA 0.142 4.601 4.320 0.031 -0.120 0.276 102 K C -0.491 176.123 176.600 0.024 0.000 1.023 102 K CA 1.066 57.373 56.287 0.033 0.000 0.955 102 K CB 0.543 33.060 32.500 0.028 0.000 0.975 102 K HN 0.348 8.635 8.250 0.062 0.000 0.471 103 S N 4.047 119.757 115.700 0.017 0.000 2.204 103 S HA 0.189 4.665 4.470 0.010 0.000 0.147 103 S C -0.005 174.601 174.600 0.009 0.000 1.711 103 S CA -0.329 57.877 58.200 0.011 0.000 1.274 103 S CB -0.094 63.110 63.200 0.006 0.000 1.257 103 S HN 0.043 8.364 8.310 0.018 0.000 0.404 104 G N 4.242 113.048 108.800 0.010 0.000 5.431 104 G HA2 -0.369 3.595 3.960 0.007 0.000 0.322 104 G HA3 -0.369 3.595 3.960 0.008 0.000 0.322 104 G C -0.345 174.560 174.900 0.008 0.000 1.370 104 G CA 1.552 46.657 45.100 0.008 0.000 0.963 104 G HN -0.013 8.284 8.290 0.011 0.000 0.797 105 Q N 2.288 122.093 119.800 0.008 0.000 2.088 105 Q HA 0.215 4.560 4.340 0.009 0.000 0.270 105 Q C -1.404 174.602 176.000 0.010 0.000 0.854 105 Q CA -0.055 55.753 55.803 0.008 0.000 1.104 105 Q CB 0.651 29.393 28.738 0.007 0.000 1.251 105 Q HN -0.106 8.136 8.270 0.008 0.033 0.436 106 K N -2.563 117.844 120.400 0.011 0.000 2.499 106 K HA 0.173 4.501 4.320 0.014 0.000 0.277 106 K C -2.703 173.908 176.600 0.018 0.000 1.025 106 K CA -1.284 55.011 56.287 0.013 0.000 0.900 106 K CB 3.568 36.075 32.500 0.011 0.000 1.494 106 K HN -0.818 7.439 8.250 0.012 0.000 0.442 107 V N 1.438 121.366 119.914 0.023 0.000 2.448 107 V HA 0.573 4.845 4.120 0.035 -0.132 0.295 107 V C -1.279 174.837 176.094 0.037 0.000 1.025 107 V CA -2.821 59.499 62.300 0.034 0.000 0.859 107 V CB 1.769 33.617 31.823 0.042 0.000 0.988 107 V HN 0.271 8.474 8.190 0.021 0.000 0.431 108 S N 8.528 124.252 115.700 0.039 0.000 2.509 108 S HA 0.246 4.725 4.470 0.015 0.000 0.297 108 S C -0.477 174.165 174.600 0.069 0.000 1.118 108 S CA -1.607 56.608 58.200 0.024 0.000 1.074 108 S CB 1.736 64.926 63.200 -0.018 0.000 1.038 108 S HN 0.886 9.222 8.310 0.043 0.000 0.498 109 G N 1.324 110.159 108.800 0.058 0.000 2.358 109 G HA2 0.167 4.147 3.960 0.034 0.000 0.273 109 G HA3 0.167 4.365 3.960 0.397 0.000 0.273 109 G C -2.417 172.569 174.900 0.144 0.000 1.215 109 G CA -0.606 44.599 45.100 0.176 0.000 0.910 109 G HN 0.280 8.572 8.290 0.003 0.000 0.467 110 F N 8.059 128.123 119.950 0.190 0.000 2.371 110 F HA 0.251 4.708 4.527 -0.117 0.000 0.363 110 F C -2.073 173.733 175.800 0.010 0.000 1.122 110 F CA -1.900 56.099 58.000 -0.002 0.000 1.129 110 F CB 1.543 40.523 39.000 -0.032 0.000 1.173 110 F HN 0.782 9.324 8.300 0.570 0.100 0.489 111 I N 7.321 127.919 120.570 0.046 0.000 2.530 111 I HA 0.473 4.889 4.170 0.190 -0.132 0.297 111 I C -2.335 173.778 176.117 -0.007 0.000 1.011 111 I CA -1.606 59.654 61.300 -0.066 0.000 1.107 111 I CB 4.020 41.802 38.000 -0.364 0.000 1.285 111 I HN 0.445 8.416 8.210 -0.398 0.000 0.436 112 E N 5.603 125.907 120.200 0.173 0.000 2.238 112 E HA 0.808 5.521 4.350 0.384 -0.132 0.267 112 E C -2.132 174.612 176.600 0.239 0.000 0.887 112 E CA -2.554 53.999 56.400 0.257 0.000 0.769 112 E CB 4.082 33.877 29.700 0.159 0.000 1.187 112 E HN 0.501 8.953 8.360 0.153 0.000 0.416 113 A N 4.973 127.921 122.820 0.213 0.000 2.363 113 A HA 0.407 4.993 4.320 0.184 -0.155 0.296 113 A C -1.106 176.652 177.584 0.291 0.000 1.237 113 A CA -1.588 50.534 52.037 0.141 0.000 0.773 113 A CB 1.667 20.588 19.000 -0.130 0.000 1.153 113 A HN 0.923 9.102 8.150 0.250 0.121 0.473 114 E N 2.957 123.343 120.200 0.309 0.000 2.197 114 E HA -0.432 4.043 4.350 0.209 0.000 0.184 114 E C 0.303 177.105 176.600 0.338 0.000 1.439 114 E CA 1.447 58.039 56.400 0.320 0.000 0.688 114 E CB -1.597 28.324 29.700 0.370 0.000 1.090 114 E HN 0.799 9.297 8.360 0.231 0.000 0.341 115 G N -2.298 106.634 108.800 0.220 0.000 2.498 115 G HA2 -0.447 3.622 3.960 0.181 0.000 0.229 115 G HA3 -0.447 3.581 3.960 0.113 0.000 0.229 115 G C -0.225 174.778 174.900 0.171 0.000 1.156 115 G CA 0.369 45.572 45.100 0.172 0.000 0.680 115 G HN 0.144 8.540 8.290 0.178 0.000 0.512 116 Y N 4.804 125.151 120.300 0.078 0.000 2.712 116 Y HA -0.146 4.417 4.550 0.020 0.000 0.333 116 Y C -0.829 175.115 175.900 0.074 0.000 1.225 116 Y CA 0.098 58.173 58.100 -0.041 0.000 1.499 116 Y CB 0.805 38.957 38.460 -0.513 0.000 1.288 116 Y HN -0.408 7.934 8.280 0.382 0.167 0.575 117 V N 4.845 124.926 119.914 0.278 0.000 2.376 117 V HA 0.179 4.632 4.120 0.555 0.000 0.287 117 V C -1.767 174.696 176.094 0.614 0.000 1.015 117 V CA -1.831 60.771 62.300 0.504 0.000 0.834 117 V CB 0.371 32.406 31.823 0.353 0.000 1.001 117 V HN -0.049 8.041 8.190 -0.167 0.000 0.428 118 Y N 4.015 124.516 120.300 0.335 0.000 2.406 118 Y HA 0.438 4.962 4.550 -0.044 0.000 0.340 118 Y C -2.074 173.580 175.900 -0.410 0.000 0.975 118 Y CA -2.449 55.643 58.100 -0.013 0.000 1.056 118 Y CB 2.412 40.900 38.460 0.046 0.000 1.210 118 Y HN 0.647 9.259 8.280 0.554 0.000 0.448 119 T N 5.212 119.280 114.554 -0.811 0.000 2.928 119 T HA 0.296 4.176 4.350 -0.963 -0.107 0.284 119 T C -0.710 173.772 174.700 -0.364 0.000 1.008 119 T CA -1.174 60.410 62.100 -0.860 0.000 1.057 119 T CB 1.318 69.644 68.868 -0.903 0.000 1.018 119 T HN 0.148 8.062 8.240 -0.544 0.000 0.493 120 V N -1.750 118.001 119.914 -0.272 0.000 3.049 120 V HA 0.425 4.520 4.120 -0.040 0.000 0.309 120 V C -2.391 173.660 176.094 -0.070 0.000 1.148 120 V CA -2.530 59.702 62.300 -0.112 0.000 0.990 120 V CB 3.419 35.179 31.823 -0.105 0.000 1.039 120 V HN 0.786 8.691 8.190 -0.287 0.113 0.430 121 G N 0.457 109.242 108.800 -0.025 0.000 2.818 121 G HA2 0.065 4.019 3.960 -0.010 0.000 0.286 121 G HA3 0.065 4.014 3.960 -0.019 0.000 0.286 121 G C -0.995 173.903 174.900 -0.004 0.000 1.364 121 G CA -2.116 42.975 45.100 -0.014 0.000 0.938 121 G HN -0.216 8.074 8.290 0.001 0.000 0.490 122 V N -0.294 119.619 119.914 -0.002 0.000 2.613 122 V HA -0.518 3.750 4.120 -0.003 -0.150 0.289 122 V C 1.701 177.799 176.094 0.007 0.000 0.985 122 V CA 1.172 63.472 62.300 0.001 0.000 1.181 122 V CB -1.473 30.351 31.823 0.002 0.000 0.883 122 V HN 0.126 8.315 8.190 -0.002 0.000 0.465 123 G N 7.532 116.338 108.800 0.010 0.000 2.545 123 G HA2 -0.444 3.524 3.960 0.014 0.000 0.279 123 G HA3 -0.444 3.581 3.960 0.019 -0.053 0.279 123 G C -1.755 173.167 174.900 0.036 0.000 1.131 123 G CA -0.128 44.983 45.100 0.019 0.000 1.100 123 G HN 0.269 8.461 8.290 0.006 0.102 0.525 124 N N -0.314 118.419 118.700 0.056 0.000 3.102 124 N HA 0.316 5.126 4.740 0.117 0.000 0.299 124 N C -2.422 173.194 175.510 0.178 0.000 1.482 124 N CA -1.522 51.598 53.050 0.116 0.000 0.785 124 N CB 3.474 42.025 38.487 0.106 0.000 1.680 124 N HN -0.548 7.856 8.380 0.041 0.000 0.594 125 Y N -1.370 118.944 120.300 0.022 0.000 2.487 125 Y HA 1.095 5.838 4.550 0.020 -0.181 0.337 125 Y C -1.925 174.026 175.900 0.084 0.000 1.076 125 Y CA -3.153 54.963 58.100 0.027 0.000 1.115 125 Y CB 2.475 40.933 38.460 -0.003 0.000 1.235 125 Y HN -0.080 8.532 8.280 0.554 0.000 0.468 126 L N -2.962 118.076 121.223 -0.309 0.000 3.119 126 L HA 0.343 4.308 4.340 -0.625 0.000 0.283 126 L C -1.914 174.840 176.870 -0.193 0.000 1.028 126 L CA -0.121 54.544 54.840 -0.292 0.000 0.975 126 L CB 2.059 44.126 42.059 0.015 0.000 1.543 126 L HN 0.695 8.778 8.230 -0.096 0.090 0.390 127 G N -2.175 106.554 108.800 -0.118 0.000 2.632 127 G HA2 -0.401 3.516 3.960 -0.071 0.000 0.224 127 G HA3 -0.401 3.536 3.960 -0.037 0.000 0.224 127 G C -1.846 172.962 174.900 -0.153 0.000 1.341 127 G CA 0.216 45.260 45.100 -0.092 0.000 0.880 127 G HN -0.116 8.177 8.290 0.004 0.000 0.566 128 Q N 1.481 121.210 119.800 -0.118 0.000 2.377 128 Q HA 0.011 4.364 4.340 -0.128 -0.090 0.193 128 Q C 1.595 177.453 176.000 -0.238 0.000 0.986 128 Q CA 1.161 56.883 55.803 -0.136 0.000 0.851 128 Q CB 1.273 29.960 28.738 -0.085 0.000 0.986 128 Q HN 0.427 8.644 8.270 -0.088 0.000 0.559 129 N N 1.857 120.386 118.700 -0.285 0.000 2.020 129 N HA -0.205 4.092 4.740 -0.737 0.000 0.191 129 N C 0.849 175.802 175.510 -0.927 0.000 1.089 129 N CA 2.596 55.270 53.050 -0.626 0.000 0.879 129 N CB 0.398 38.672 38.487 -0.354 0.000 1.057 129 N HN 0.232 8.503 8.380 -0.182 0.000 0.428 130 Y N -3.094 117.191 120.300 -0.025 0.000 2.517 130 Y HA 0.061 4.594 4.550 -0.027 0.000 0.346 130 Y C -1.341 174.547 175.900 -0.020 0.000 1.113 130 Y CA -0.846 57.229 58.100 -0.041 0.000 1.295 130 Y CB 0.250 38.642 38.460 -0.113 0.000 1.094 130 Y HN -0.625 7.585 8.280 -0.116 0.000 0.608 131 G N 1.156 109.998 108.800 0.070 0.000 2.356 131 G HA2 0.501 4.540 3.960 0.001 0.000 0.322 131 G HA3 0.501 4.685 3.960 0.056 -0.191 0.322 131 G C -2.209 172.722 174.900 0.052 0.000 1.125 131 G CA -1.408 43.717 45.100 0.041 0.000 0.885 131 G HN 0.312 8.616 8.290 0.024 0.000 0.467 132 R N 3.390 123.918 120.500 0.046 0.000 2.476 132 R HA 0.714 5.309 4.340 0.071 -0.212 0.305 132 R C -1.625 174.686 176.300 0.019 0.000 0.965 132 R CA -1.844 54.284 56.100 0.048 0.000 0.867 132 R CB 4.269 34.598 30.300 0.048 0.000 1.176 132 R HN 0.290 8.473 8.270 0.039 0.110 0.447 133 I N 4.386 124.962 120.570 0.012 0.000 2.428 133 I HA -0.031 4.123 4.170 -0.028 0.000 0.289 133 I C -1.254 174.859 176.117 -0.006 0.000 1.019 133 I CA -0.923 60.368 61.300 -0.015 0.000 1.351 133 I CB 2.513 40.490 38.000 -0.038 0.000 1.412 133 I HN 0.521 8.639 8.210 0.030 0.111 0.513 134 E N 8.775 128.968 120.200 -0.013 0.000 2.444 134 E HA 0.251 4.600 4.350 -0.001 0.000 0.203 134 E C -0.075 176.519 176.600 -0.010 0.000 0.847 134 E CA 0.376 56.772 56.400 -0.006 0.000 1.142 134 E CB 2.782 32.480 29.700 -0.002 0.000 1.125 134 E HN 0.440 8.786 8.360 -0.023 0.000 0.521 135 S N 0.595 116.284 115.700 -0.018 0.000 2.472 135 S HA 0.334 4.798 4.470 -0.009 0.000 0.303 135 S C -1.569 173.014 174.600 -0.028 0.000 1.099 135 S CA -0.641 57.549 58.200 -0.017 0.000 1.077 135 S CB 1.706 64.899 63.200 -0.013 0.000 1.031 135 S HN -0.042 8.254 8.310 -0.023 0.000 0.487 136 I N 4.181 124.742 120.570 -0.014 0.000 2.503 136 I HA 0.159 4.308 4.170 -0.034 0.000 0.282 136 I C -0.961 175.169 176.117 0.022 0.000 1.059 136 I CA -0.694 60.601 61.300 -0.008 0.000 1.081 136 I CB 2.377 40.376 38.000 -0.001 0.000 1.210 136 I HN 0.436 8.644 8.210 -0.004 0.000 0.450 137 T N 4.407 118.981 114.554 0.034 0.000 2.938 137 T HA 0.243 4.617 4.350 0.041 0.000 0.285 137 T C -1.078 173.676 174.700 0.090 0.000 1.028 137 T CA -2.773 59.356 62.100 0.050 0.000 1.005 137 T CB 1.601 70.490 68.868 0.035 0.000 1.157 137 T HN 0.480 8.636 8.240 0.020 0.096 0.550 138 D N 1.644 122.087 120.400 0.070 0.000 2.389 138 D HA -0.234 4.454 4.640 0.080 0.000 0.263 138 D C -0.241 176.113 176.300 0.091 0.000 1.255 138 D CA 2.536 56.579 54.000 0.071 0.000 0.914 138 D CB 0.101 40.923 40.800 0.037 0.000 1.116 138 D HN 0.086 8.486 8.370 0.050 0.000 0.502 139 D N 0.968 121.447 120.400 0.131 0.000 2.907 139 D HA -0.334 4.364 4.640 0.097 0.000 0.226 139 D C -1.723 174.731 176.300 0.257 0.000 1.141 139 D CA 1.238 55.328 54.000 0.150 0.000 0.779 139 D CB -1.651 39.181 40.800 0.053 0.000 1.095 139 D HN 0.398 8.846 8.370 0.129 0.000 0.430 140 S N -6.479 109.408 115.700 0.312 0.000 2.556 140 S HA 0.843 5.592 4.470 0.112 -0.213 0.280 140 S C -2.020 172.571 174.600 -0.015 0.000 1.141 140 S CA -0.275 57.999 58.200 0.124 0.000 0.883 140 S CB 3.370 66.609 63.200 0.065 0.000 1.103 140 S HN -0.268 8.237 8.310 0.363 0.023 0.453 141 I N -3.166 117.300 120.570 -0.173 0.000 2.644 141 I HA 0.472 4.667 4.170 -0.128 -0.102 0.291 141 I C -2.403 173.625 176.117 -0.148 0.000 1.180 141 I CA -1.138 60.032 61.300 -0.216 0.000 1.040 141 I CB 3.599 41.330 38.000 -0.449 0.000 1.255 141 I HN 0.897 9.008 8.210 -0.166 0.000 0.422 142 V N 6.657 126.517 119.914 -0.090 0.000 2.347 142 V HA 0.468 4.714 4.120 -0.061 -0.163 0.280 142 V C -1.138 174.924 176.094 -0.053 0.000 1.021 142 V CA -0.662 61.602 62.300 -0.059 0.000 0.847 142 V CB 0.513 32.317 31.823 -0.032 0.000 0.990 142 V HN 0.686 8.711 8.190 -0.077 0.119 0.444 143 L N 3.748 124.942 121.223 -0.048 0.000 2.359 143 L HA 0.830 5.221 4.340 -0.023 -0.065 0.256 143 L C -2.597 174.267 176.870 -0.011 0.000 1.026 143 L CA -1.985 52.836 54.840 -0.031 0.000 0.828 143 L CB 3.838 45.869 42.059 -0.046 0.000 1.406 143 L HN 0.851 9.051 8.230 -0.051 0.000 0.413 144 N N 0.204 118.908 118.700 0.006 0.000 2.511 144 N HA 0.273 5.194 4.740 0.020 -0.169 0.249 144 N C -1.155 174.378 175.510 0.038 0.000 0.971 144 N CA -0.667 52.397 53.050 0.023 0.000 0.938 144 N CB 1.494 39.999 38.487 0.030 0.000 1.131 144 N HN 0.793 9.071 8.380 0.008 0.107 0.505 145 E N 6.008 126.232 120.200 0.039 0.000 2.229 145 E HA 0.087 4.468 4.350 0.053 0.000 0.283 145 E C -1.766 174.889 176.600 0.093 0.000 1.030 145 E CA -0.716 55.715 56.400 0.052 0.000 0.836 145 E CB 1.222 30.940 29.700 0.030 0.000 1.068 145 E HN 0.312 8.689 8.360 0.029 0.000 0.401 146 L N 7.476 128.785 121.223 0.144 0.000 2.282 146 L HA 0.418 5.109 4.340 0.194 -0.234 0.288 146 L C -1.321 175.719 176.870 0.283 0.000 1.033 146 L CA -0.305 54.672 54.840 0.228 0.000 0.807 146 L CB 1.801 44.016 42.059 0.259 0.000 1.209 146 L HN 0.545 8.730 8.230 0.144 0.132 0.423 147 I N -1.089 119.637 120.570 0.260 0.000 2.827 147 I HA 0.354 4.697 4.170 0.288 0.000 0.298 147 I C -1.025 175.230 176.117 0.231 0.000 1.235 147 I CA -2.668 58.772 61.300 0.234 0.000 1.021 147 I CB 2.706 40.776 38.000 0.118 0.000 1.259 147 I HN 0.604 8.951 8.210 0.230 0.000 0.427 148 E N 3.746 124.085 120.200 0.231 0.000 2.442 148 E HA -0.320 4.248 4.350 0.120 -0.146 0.262 148 E C -0.966 175.678 176.600 0.073 0.000 1.004 148 E CA 1.557 58.041 56.400 0.140 0.000 0.928 148 E CB 0.511 30.285 29.700 0.123 0.000 0.937 148 E HN 0.330 8.843 8.360 0.255 0.000 0.446 149 D N 1.676 122.093 120.400 0.028 0.000 2.867 149 D HA 0.184 4.838 4.640 0.024 0.000 0.308 149 D C 0.966 177.262 176.300 -0.008 0.000 1.202 149 D CA -0.772 53.237 54.000 0.015 0.000 1.035 149 D CB 1.695 42.507 40.800 0.019 0.000 1.427 149 D HN -0.384 7.986 8.370 -0.000 0.000 0.570 150 S N -1.280 114.415 115.700 -0.008 0.000 2.440 150 S HA -0.215 4.247 4.470 -0.014 0.000 0.238 150 S C 0.670 175.251 174.600 -0.031 0.000 1.010 150 S CA 2.753 60.944 58.200 -0.015 0.000 0.972 150 S CB -0.042 63.151 63.200 -0.010 0.000 0.774 150 S HN 0.483 8.793 8.310 -0.000 0.000 0.501 151 T N -0.871 113.659 114.554 -0.040 0.000 3.051 151 T HA -0.115 4.203 4.350 -0.053 0.000 0.269 151 T C 0.823 175.467 174.700 -0.094 0.000 1.127 151 T CA 0.637 62.699 62.100 -0.063 0.000 1.107 151 T CB -0.391 68.435 68.868 -0.070 0.000 0.898 151 T HN -0.460 7.710 8.240 -0.030 0.051 0.517 152 G N 1.237 109.984 108.800 -0.089 0.000 2.143 152 G HA2 -0.373 3.526 3.960 -0.102 0.000 0.249 152 G HA3 -0.373 3.542 3.960 -0.076 0.000 0.249 152 G C -1.705 173.078 174.900 -0.195 0.000 0.981 152 G CA 0.171 45.206 45.100 -0.108 0.000 0.665 152 G HN 0.240 8.302 8.290 -0.064 0.190 0.528 153 N N -2.395 116.153 118.700 -0.253 0.000 2.484 153 N HA 0.161 4.533 4.740 -0.614 0.000 0.269 153 N C -1.389 173.900 175.510 -0.368 0.000 1.237 153 N CA -1.916 50.813 53.050 -0.535 0.000 0.838 153 N CB 1.901 39.949 38.487 -0.733 0.000 1.593 153 N HN -0.804 7.420 8.380 -0.175 0.052 0.485 154 W N -1.152 120.169 121.300 0.036 0.000 2.505 154 W HA -0.159 4.687 4.660 0.091 -0.131 0.332 154 W C -0.404 176.138 176.519 0.039 0.000 1.434 154 W CA -1.309 56.076 57.345 0.066 0.000 1.320 154 W CB -0.954 28.559 29.460 0.089 0.000 1.363 154 W HN 0.121 7.358 8.180 -1.571 0.000 0.565 155 V N -0.060 119.995 119.914 0.236 0.000 2.483 155 V HA 0.411 4.627 4.120 0.160 0.000 0.295 155 V C -0.876 175.319 176.094 0.168 0.000 1.035 155 V CA -3.009 59.388 62.300 0.160 0.000 0.896 155 V CB 1.601 33.469 31.823 0.076 0.000 0.986 155 V HN 0.561 8.762 8.190 0.211 0.116 0.447 156 S N 8.062 123.849 115.700 0.144 0.000 2.565 156 S HA -0.025 4.637 4.470 0.128 -0.116 0.276 156 S C -0.675 173.971 174.600 0.077 0.000 1.326 156 S CA 1.182 59.449 58.200 0.112 0.000 1.045 156 S CB 0.529 63.785 63.200 0.093 0.000 0.918 156 S HN 0.344 8.738 8.310 0.140 0.000 0.505 157 R N 4.975 125.514 120.500 0.066 0.000 2.507 157 R HA 0.188 4.552 4.340 0.041 0.000 0.298 157 R C -1.548 174.771 176.300 0.032 0.000 1.087 157 R CA -0.996 55.131 56.100 0.045 0.000 0.917 157 R CB 2.560 32.887 30.300 0.045 0.000 1.173 157 R HN 0.514 8.723 8.270 0.072 0.103 0.472 158 K N 7.304 127.719 120.400 0.024 0.000 2.368 158 K HA -0.018 4.472 4.320 0.012 -0.163 0.282 158 K C -0.817 175.787 176.600 0.007 0.000 1.035 158 K CA 0.736 57.031 56.287 0.014 0.000 0.973 158 K CB 0.353 32.860 32.500 0.012 0.000 0.957 158 K HN 0.458 8.724 8.250 0.026 0.000 0.474 159 A N 6.452 129.270 122.820 -0.002 0.000 2.488 159 A HA 0.235 4.553 4.320 -0.004 0.000 0.298 159 A C -2.992 174.578 177.584 -0.024 0.000 1.044 159 A CA -0.504 51.528 52.037 -0.008 0.000 0.693 159 A CB 3.213 22.210 19.000 -0.005 0.000 1.272 159 A HN 0.932 9.078 8.150 -0.006 0.000 0.402 160 E N 4.825 125.011 120.200 -0.023 0.000 2.114 160 E HA 0.718 5.239 4.350 -0.055 -0.204 0.266 160 E C -0.815 175.764 176.600 -0.035 0.000 0.896 160 E CA -1.551 54.828 56.400 -0.035 0.000 0.750 160 E CB 1.888 31.575 29.700 -0.021 0.000 1.121 160 E HN 0.174 8.526 8.360 -0.013 0.000 0.413 161 L N 6.199 127.382 121.223 -0.067 0.000 2.343 161 L HA 0.475 4.807 4.340 -0.015 0.000 0.275 161 L C -1.988 174.870 176.870 -0.019 0.000 1.056 161 L CA -0.811 54.000 54.840 -0.048 0.000 0.804 161 L CB 2.359 44.372 42.059 -0.076 0.000 1.203 161 L HN 0.433 8.599 8.230 -0.105 0.000 0.440 162 L N -1.914 119.341 121.223 0.054 0.000 2.334 162 L HA 0.455 5.006 4.340 0.142 -0.126 0.276 162 L C -0.900 176.098 176.870 0.214 0.000 1.014 162 L CA -2.493 52.420 54.840 0.122 0.000 0.815 162 L CB 1.818 43.921 42.059 0.074 0.000 1.268 162 L HN -0.179 8.078 8.230 0.046 0.000 0.428 163 L N 0.317 121.730 121.223 0.316 0.000 2.667 163 L HA -0.137 4.380 4.340 0.296 0.000 0.278 163 L C 0.638 177.552 176.870 0.074 0.000 1.217 163 L CA 0.586 55.534 54.840 0.180 0.000 0.935 163 L CB 0.151 42.176 42.059 -0.057 0.000 1.193 163 L HN -0.134 8.151 8.230 0.326 0.140 0.493 164 N N 7.866 126.604 118.700 0.063 0.000 3.091 164 N HA 0.000 4.762 4.740 0.036 0.000 0.301 164 N C -0.765 174.743 175.510 -0.004 0.000 1.325 164 N CA -0.067 53.003 53.050 0.033 0.000 1.143 164 N CB -1.120 37.394 38.487 0.045 0.000 1.450 164 N HN 0.296 8.730 8.380 0.090 0.000 0.542 165 S N 1.202 116.889 115.700 -0.022 0.000 2.612 165 S HA -0.169 4.269 4.470 -0.053 0.000 0.253 165 S C 0.465 175.051 174.600 -0.022 0.000 1.346 165 S CA 0.330 58.507 58.200 -0.038 0.000 0.976 165 S CB 0.600 63.773 63.200 -0.045 0.000 0.949 165 S HN -0.397 7.808 8.310 -0.016 0.095 0.584 166 S N 0.297 115.981 115.700 -0.026 0.000 4.051 166 S HA -0.008 4.453 4.470 -0.014 0.000 0.215 166 S C -0.944 173.648 174.600 -0.013 0.000 1.289 166 S CA 0.706 58.896 58.200 -0.018 0.000 0.907 166 S CB -0.687 62.500 63.200 -0.021 0.000 1.603 166 S HN 0.402 8.691 8.310 -0.034 0.000 0.453 167 D N 2.781 123.176 120.400 -0.008 0.000 2.593 167 D HA 0.125 4.761 4.640 -0.006 0.000 0.241 167 D C -0.680 175.620 176.300 -0.001 0.000 1.257 167 D CA -0.190 53.807 54.000 -0.004 0.000 0.828 167 D CB 0.534 41.333 40.800 -0.002 0.000 1.049 167 D HN 0.003 8.328 8.370 -0.006 0.041 0.490 168 K N 0.041 120.440 120.400 -0.002 0.000 2.440 168 K HA -0.141 4.180 4.320 0.002 0.000 0.270 168 K C -0.203 176.398 176.600 0.000 0.000 0.980 168 K CA -0.125 56.162 56.287 0.000 0.000 0.953 168 K CB 0.360 32.860 32.500 -0.000 0.000 0.925 168 K HN -0.489 7.687 8.250 -0.004 0.072 0.497 169 N N 2.329 121.030 118.700 0.001 0.000 2.817 169 N HA 0.033 4.773 4.740 0.000 0.000 0.234 169 N C -0.504 175.006 175.510 0.001 0.000 1.066 169 N CA -0.372 52.679 53.050 0.001 0.000 0.926 169 N CB -0.016 38.473 38.487 0.002 0.000 1.176 169 N HN 0.240 8.621 8.380 0.002 0.000 0.506 170 T N 2.112 116.666 114.554 -0.000 0.000 3.278 170 T HA 0.081 4.431 4.350 0.000 0.000 0.246 170 T C -0.222 174.478 174.700 -0.000 0.000 1.281 170 T CA -0.765 61.335 62.100 -0.000 0.000 1.281 170 T CB -0.239 68.629 68.868 -0.001 0.000 1.064 170 T HN 0.092 8.332 8.240 -0.001 0.000 0.628 171 E N 1.550 121.750 120.200 -0.000 0.000 2.392 171 E HA -0.006 4.344 4.350 -0.001 0.000 0.259 171 E C 0.135 176.734 176.600 -0.000 0.000 1.108 171 E CA -0.126 56.274 56.400 -0.000 0.000 0.916 171 E CB 0.819 30.519 29.700 0.000 0.000 0.989 171 E HN -0.289 8.012 8.360 0.000 0.059 0.432 172 Q N 0.963 120.763 119.800 -0.000 0.000 2.386 172 Q HA -0.197 4.143 4.340 -0.000 0.000 0.282 172 Q C -1.265 174.735 176.000 0.000 0.000 1.050 172 Q CA 0.953 56.756 55.803 -0.000 0.000 0.918 172 Q CB 0.323 29.061 28.738 -0.000 0.000 1.266 172 Q HN 0.245 8.515 8.270 -0.001 0.000 0.423 173 A N 2.051 124.871 122.820 0.000 0.000 2.588 173 A HA 0.148 4.469 4.320 0.000 0.000 0.290 173 A C -1.947 175.637 177.584 0.000 0.000 1.136 173 A CA -0.605 51.432 52.037 0.000 0.000 0.681 173 A CB 1.022 20.022 19.000 0.001 0.000 1.282 173 A HN 0.231 8.381 8.150 0.000 0.000 0.421 174 A N -1.008 121.812 122.820 0.001 0.000 2.524 174 A HA 0.015 4.336 4.320 0.000 0.000 0.250 174 A C -0.687 176.897 177.584 0.001 0.000 1.078 174 A CA 0.955 52.992 52.037 0.001 0.000 0.761 174 A CB 0.081 19.081 19.000 0.001 0.000 1.012 174 A HN 0.051 8.201 8.150 0.001 0.000 0.500 175 A N 3.731 126.551 122.820 0.000 0.000 2.479 175 A HA 0.429 4.749 4.320 0.001 0.000 0.296 175 A C -2.445 175.139 177.584 0.000 0.000 1.121 175 A CA -1.551 50.486 52.037 0.000 0.000 0.743 175 A CB 0.674 19.674 19.000 0.000 0.000 1.323 175 A HN 0.014 8.164 8.150 0.000 0.000 0.415 176 P HA 0.103 4.523 4.420 0.000 0.000 0.259 176 P C -1.592 175.708 177.300 0.000 0.000 1.635 176 P CA 0.488 63.588 63.100 0.000 0.000 1.199 176 P CB -1.572 30.128 31.700 0.000 0.000 1.850 177 A N 3.436 126.256 122.820 0.000 0.000 2.586 177 A HA 0.059 4.379 4.320 0.000 0.000 0.291 177 A C -1.930 175.654 177.584 -0.000 0.000 1.062 177 A CA -0.309 51.728 52.037 0.000 0.000 0.666 177 A CB 1.808 20.808 19.000 -0.000 0.000 1.281 177 A HN -0.216 7.914 8.150 0.000 0.019 0.421 178 A N 0.030 122.850 122.820 -0.000 0.000 2.340 178 A HA 0.387 4.707 4.320 -0.000 0.000 0.331 178 A C -0.415 177.169 177.584 -0.000 0.000 1.140 178 A CA -0.332 51.705 52.037 -0.000 0.000 0.801 178 A CB 0.999 19.999 19.000 -0.000 0.000 1.234 178 A HN 0.162 8.312 8.150 -0.000 0.000 0.469 179 E N -0.508 119.692 120.200 -0.000 0.000 2.259 179 E HA 0.164 4.513 4.350 -0.000 0.000 0.257 179 E C -0.142 176.458 176.600 -0.000 0.000 0.998 179 E CA -0.450 55.950 56.400 -0.000 0.000 0.866 179 E CB 1.054 30.754 29.700 -0.000 0.000 1.220 179 E HN 0.088 8.448 8.360 -0.000 0.000 0.415 180 Q N -0.139 119.661 119.800 -0.000 0.000 2.394 180 Q HA 0.091 4.431 4.340 -0.000 0.000 0.218 180 Q C -0.733 175.267 176.000 -0.000 0.000 0.907 180 Q CA 0.874 56.677 55.803 -0.000 0.000 0.919 180 Q CB 0.411 29.148 28.738 -0.000 0.000 1.051 180 Q HN 0.362 8.632 8.270 -0.000 0.000 0.538 181 N N 0.000 118.700 118.700 -0.000 0.000 1.763 181 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 181 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 181 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 181 N HN 0.000 8.380 8.380 -0.000 0.000 0.667