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 2eoc_1_A DATA FIRST_RESID 34 DATA SEQUENCE GSSGSSGAEK RIIRVDPTCP LSSNPGTQVY EDYNCTLNQT NIENNNNKFY DATA SEQUENCE IIQLLQDSNR FFTCWNRWGR VGEVGQSKIN HFTRLEDAKK DFEKKFREKT DATA SEQUENCE KNNWAERDHF VSHPGKYTLI EVQA 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 34 G C 0.000 174.898 174.900 -0.003 0.000 0.946 34 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 35 S N 0.823 116.521 115.700 -0.003 0.000 2.669 35 S HA 0.711 5.179 4.470 -0.004 0.000 0.266 35 S C -0.608 173.989 174.600 -0.004 0.000 1.149 35 S CA -0.961 57.237 58.200 -0.004 0.000 0.842 35 S CB 1.066 64.264 63.200 -0.003 0.000 1.160 35 S HN 0.435 8.743 8.310 -0.003 0.000 0.487 36 S N 0.154 115.852 115.700 -0.004 0.000 3.339 36 S HA -0.242 4.226 4.470 -0.004 0.000 0.856 36 S C -0.619 173.978 174.600 -0.005 0.000 1.139 36 S CA -0.070 58.127 58.200 -0.004 0.000 1.044 36 S CB 0.479 63.677 63.200 -0.004 0.000 0.721 36 S HN 0.148 8.456 8.310 -0.004 0.000 0.267 37 G N 0.802 109.598 108.800 -0.005 0.000 2.690 37 G HA2 -0.024 3.932 3.960 -0.007 0.000 0.239 37 G HA3 -0.024 3.932 3.960 -0.006 0.000 0.239 37 G C -1.532 173.364 174.900 -0.007 0.000 1.233 37 G CA 0.059 45.155 45.100 -0.006 0.000 0.847 37 G HN -0.198 8.089 8.290 -0.005 0.000 0.588 38 S N -0.554 115.141 115.700 -0.008 0.000 2.606 38 S HA -0.043 4.422 4.470 -0.008 0.000 0.290 38 S C -0.645 173.949 174.600 -0.011 0.000 1.103 38 S CA -0.346 57.849 58.200 -0.009 0.000 0.870 38 S CB 0.512 63.707 63.200 -0.008 0.000 1.077 38 S HN -0.068 8.237 8.310 -0.009 0.000 0.448 39 S N 5.896 121.589 115.700 -0.011 0.000 3.441 39 S HA -0.114 4.347 4.470 -0.014 0.000 0.521 39 S C 0.456 175.048 174.600 -0.014 0.000 0.703 39 S CA 0.217 58.409 58.200 -0.014 0.000 1.346 39 S CB 0.499 63.690 63.200 -0.016 0.000 1.241 39 S HN 0.324 8.628 8.310 -0.010 0.000 0.764 40 G N 4.470 113.262 108.800 -0.014 0.000 2.620 40 G HA2 -0.085 3.867 3.960 -0.012 0.000 0.180 40 G HA3 -0.085 3.867 3.960 -0.013 0.000 0.180 40 G C -1.207 173.683 174.900 -0.016 0.000 1.545 40 G CA -0.073 45.019 45.100 -0.014 0.000 0.866 40 G HN 0.201 8.483 8.290 -0.013 0.000 0.432 41 A N -0.770 122.039 122.820 -0.017 0.000 6.923 41 A HA -0.175 4.133 4.320 -0.020 0.000 0.267 41 A C -0.976 176.597 177.584 -0.018 0.000 2.116 41 A CA 0.345 52.370 52.037 -0.020 0.000 0.821 41 A CB 0.222 19.207 19.000 -0.024 0.000 1.086 41 A HN -0.296 7.844 8.150 -0.016 0.000 0.409 42 E N 0.863 121.051 120.200 -0.020 0.000 2.092 42 E HA 0.035 4.376 4.350 -0.015 0.000 0.271 42 E C -0.443 176.145 176.600 -0.019 0.000 0.919 42 E CA -0.485 55.904 56.400 -0.017 0.000 0.760 42 E CB 0.611 30.302 29.700 -0.015 0.000 1.106 42 E HN 0.186 8.532 8.360 -0.022 0.000 0.408 43 K N 4.662 125.052 120.400 -0.018 0.000 2.402 43 K HA -0.151 4.154 4.320 -0.025 0.000 0.285 43 K C 0.002 176.592 176.600 -0.016 0.000 1.054 43 K CA 0.398 56.673 56.287 -0.020 0.000 1.001 43 K CB 0.343 32.832 32.500 -0.018 0.000 0.946 43 K HN 0.311 8.551 8.250 -0.016 0.000 0.473 44 R N 4.057 124.546 120.500 -0.019 0.000 2.490 44 R HA 0.001 4.337 4.340 -0.006 0.000 0.278 44 R C -0.779 175.517 176.300 -0.006 0.000 1.069 44 R CA -0.427 55.666 56.100 -0.010 0.000 1.080 44 R CB 0.756 31.050 30.300 -0.010 0.000 1.030 44 R HN 0.184 8.439 8.270 -0.025 0.000 0.491 45 I N 1.705 122.277 120.570 0.003 0.000 2.530 45 I HA 0.193 4.365 4.170 0.003 0.000 0.297 45 I C -1.139 174.990 176.117 0.020 0.000 1.011 45 I CA -1.747 59.557 61.300 0.008 0.000 1.107 45 I CB 1.128 39.132 38.000 0.006 0.000 1.285 45 I HN 0.135 8.349 8.210 0.006 0.000 0.436 46 I N 3.622 124.208 120.570 0.026 0.000 2.603 46 I HA 0.118 4.319 4.170 0.050 0.000 0.300 46 I C -0.838 175.303 176.117 0.039 0.000 1.017 46 I CA -1.606 59.721 61.300 0.044 0.000 1.098 46 I CB 1.481 39.518 38.000 0.061 0.000 1.279 46 I HN 0.149 8.371 8.210 0.019 0.000 0.437 47 R N 4.020 124.546 120.500 0.043 0.000 2.451 47 R HA 0.219 4.571 4.340 0.020 0.000 0.307 47 R C -1.128 175.186 176.300 0.024 0.000 0.965 47 R CA -1.564 54.552 56.100 0.027 0.000 0.865 47 R CB 0.900 31.211 30.300 0.018 0.000 1.174 47 R HN 0.248 8.551 8.270 0.056 0.000 0.455 48 V N 5.807 125.724 119.914 0.004 0.000 2.583 48 V HA -0.305 3.812 4.120 -0.004 0.000 0.302 48 V C 0.151 176.198 176.094 -0.078 0.000 1.033 48 V CA 0.610 62.891 62.300 -0.033 0.000 1.194 48 V CB 0.326 32.113 31.823 -0.059 0.000 0.879 48 V HN 0.207 8.400 8.190 0.005 0.000 0.482 49 D N 6.528 126.868 120.400 -0.100 0.000 2.601 49 D HA -0.162 4.472 4.640 -0.010 0.000 0.229 49 D C -0.553 175.638 176.300 -0.182 0.000 1.140 49 D CA 0.237 54.173 54.000 -0.106 0.000 0.862 49 D CB 1.329 42.068 40.800 -0.102 0.000 1.192 49 D HN 0.011 8.340 8.370 -0.069 0.000 0.480 50 P HA -0.083 4.280 4.420 -0.095 0.000 0.215 50 P C 0.989 178.219 177.300 -0.116 0.000 1.157 50 P CA 1.859 64.907 63.100 -0.087 0.000 0.859 50 P CB 0.573 32.255 31.700 -0.030 0.000 0.786 51 T N -2.435 112.086 114.554 -0.055 0.000 2.822 51 T HA -0.291 4.071 4.350 0.020 0.000 0.270 51 T C 0.244 174.822 174.700 -0.204 0.000 1.064 51 T CA 2.325 64.429 62.100 0.006 0.000 1.131 51 T CB -0.493 68.525 68.868 0.249 0.000 0.858 51 T HN -0.148 8.094 8.240 0.004 0.000 0.483 52 C N 3.234 122.136 119.300 -0.663 0.000 2.637 52 C HA 0.239 3.819 4.460 -1.466 0.000 0.418 52 C C -0.234 174.479 174.990 -0.463 0.000 1.319 52 C CA -2.408 55.939 59.018 -1.120 0.000 1.949 52 C CB 1.922 28.727 27.740 -1.559 0.000 2.639 52 C HN -0.232 7.513 8.230 -0.576 0.139 0.594 53 P HA -0.121 4.237 4.420 -0.103 0.000 0.214 53 P C 1.017 178.249 177.300 -0.113 0.000 1.162 53 P CA 2.206 65.229 63.100 -0.129 0.000 0.874 53 P CB 0.406 32.081 31.700 -0.041 0.000 0.784 54 L N -4.245 116.912 121.223 -0.109 0.000 2.137 54 L HA -0.356 3.968 4.340 -0.026 0.000 0.213 54 L C 2.163 178.983 176.870 -0.083 0.000 1.085 54 L CA 2.141 56.943 54.840 -0.064 0.000 0.760 54 L CB -0.980 41.060 42.059 -0.032 0.000 0.893 54 L HN -0.319 7.837 8.230 -0.123 0.000 0.434 55 S N -1.978 113.637 115.700 -0.143 0.000 2.381 55 S HA -0.477 3.933 4.470 -0.101 0.000 0.230 55 S C 1.270 175.827 174.600 -0.072 0.000 1.052 55 S CA 2.805 60.934 58.200 -0.119 0.000 1.068 55 S CB -0.342 62.763 63.200 -0.159 0.000 0.918 55 S HN -0.493 7.663 8.310 -0.218 0.023 0.448 56 S N 1.203 116.862 115.700 -0.068 0.000 2.368 56 S HA -0.178 4.268 4.470 -0.040 0.000 0.225 56 S C 0.202 174.783 174.600 -0.032 0.000 1.030 56 S CA 1.946 60.119 58.200 -0.044 0.000 0.999 56 S CB 0.226 63.403 63.200 -0.039 0.000 0.844 56 S HN -0.265 7.993 8.310 -0.084 0.001 0.459 57 N N 2.353 121.035 118.700 -0.030 0.000 2.411 57 N HA 0.080 4.810 4.740 -0.016 0.000 0.261 57 N C -1.839 173.661 175.510 -0.017 0.000 1.248 57 N CA -0.911 52.128 53.050 -0.019 0.000 0.885 57 N CB -0.140 38.340 38.487 -0.012 0.000 1.062 57 N HN -0.850 7.421 8.380 -0.037 0.087 0.471 58 P HA 0.024 4.436 4.420 -0.013 0.000 0.271 58 P C 0.330 177.623 177.300 -0.012 0.000 1.216 58 P CA 0.537 63.629 63.100 -0.013 0.000 0.771 58 P CB 0.437 32.130 31.700 -0.012 0.000 0.864 59 G N 3.318 112.112 108.800 -0.010 0.000 2.308 59 G HA2 -0.240 3.715 3.960 -0.009 0.000 0.221 59 G HA3 -0.240 3.711 3.960 -0.014 0.000 0.221 59 G C -0.397 174.500 174.900 -0.004 0.000 1.032 59 G CA -0.274 44.820 45.100 -0.010 0.000 0.623 59 G HN 0.364 8.648 8.290 -0.009 0.000 0.506 60 T N 6.231 120.783 114.554 -0.003 0.000 2.751 60 T HA -0.235 4.123 4.350 0.013 0.000 0.279 60 T C -0.979 173.731 174.700 0.017 0.000 0.941 60 T CA 2.297 64.401 62.100 0.007 0.000 1.192 60 T CB -0.293 68.576 68.868 0.001 0.000 0.883 60 T HN -0.491 7.653 8.240 -0.007 0.092 0.534 61 Q N 5.536 125.361 119.800 0.041 0.000 2.445 61 Q HA 0.357 4.720 4.340 0.039 0.000 0.281 61 Q C -2.165 173.899 176.000 0.107 0.000 1.101 61 Q CA -2.534 53.303 55.803 0.057 0.000 0.833 61 Q CB 3.793 32.562 28.738 0.051 0.000 1.416 61 Q HN -0.497 7.800 8.270 0.046 0.000 0.451 62 V N 1.256 121.238 119.914 0.112 0.000 2.387 62 V HA -0.181 4.154 4.120 0.206 -0.092 0.260 62 V C 0.022 176.241 176.094 0.208 0.000 1.054 62 V CA 0.521 62.923 62.300 0.170 0.000 0.967 62 V CB -0.032 31.878 31.823 0.145 0.000 1.036 62 V HN 0.324 8.563 8.190 0.080 0.000 0.481 63 Y N 10.412 130.817 120.300 0.174 0.000 2.887 63 Y HA -0.303 4.357 4.550 0.183 0.000 0.350 63 Y C 0.015 176.028 175.900 0.189 0.000 1.294 63 Y CA 1.356 59.582 58.100 0.210 0.000 1.622 63 Y CB 0.014 38.658 38.460 0.307 0.000 1.201 63 Y HN 0.171 8.628 8.280 0.418 0.074 0.546 64 E N 4.775 124.740 120.200 -0.392 0.000 3.431 64 E HA -0.397 3.759 4.350 -0.323 0.000 0.294 64 E C -1.342 175.152 176.600 -0.176 0.000 1.487 64 E CA 1.386 57.555 56.400 -0.385 0.000 2.027 64 E CB -0.590 28.735 29.700 -0.624 0.000 1.966 64 E HN 0.549 8.696 8.360 -0.355 0.000 0.482 65 D N -0.429 119.824 120.400 -0.245 0.000 2.615 65 D HA 0.111 4.733 4.640 -0.029 0.000 0.236 65 D C -0.795 175.453 176.300 -0.087 0.000 1.233 65 D CA -0.122 53.810 54.000 -0.114 0.000 0.829 65 D CB -0.331 40.412 40.800 -0.094 0.000 1.024 65 D HN 0.094 8.222 8.370 -0.403 0.000 0.490 66 Y N 3.351 123.600 120.300 -0.086 0.000 2.603 66 Y HA -0.247 4.079 4.550 -0.373 0.000 0.341 66 Y C -2.173 173.817 175.900 0.150 0.000 1.272 66 Y CA 0.575 58.515 58.100 -0.267 0.000 1.891 66 Y CB -2.403 35.610 38.460 -0.745 0.000 1.910 66 Y HN -0.726 7.452 8.280 -0.032 0.083 0.432 67 N N 0.213 119.132 118.700 0.365 0.000 2.594 67 N HA 0.395 5.396 4.740 0.435 0.000 0.280 67 N C -1.276 174.465 175.510 0.385 0.000 1.156 67 N CA -0.538 52.737 53.050 0.376 0.000 0.831 67 N CB 1.843 40.488 38.487 0.263 0.000 1.379 67 N HN -0.271 8.260 8.380 0.319 0.040 0.536 68 C N 2.075 121.614 119.300 0.399 0.000 2.547 68 C HA 0.457 5.138 4.460 0.369 0.000 0.313 68 C C -1.328 173.861 174.990 0.332 0.000 1.191 68 C CA -2.053 57.211 59.018 0.410 0.000 1.474 68 C CB 2.700 30.807 27.740 0.611 0.000 2.081 68 C HN 0.103 8.557 8.230 0.373 0.000 0.476 69 T N 5.527 120.256 114.554 0.291 0.000 2.829 69 T HA 0.338 4.867 4.350 0.297 0.000 0.282 69 T C -1.090 173.781 174.700 0.285 0.000 0.990 69 T CA -0.001 62.265 62.100 0.277 0.000 1.028 69 T CB 1.057 70.061 68.868 0.227 0.000 0.951 69 T HN 0.305 8.705 8.240 0.266 0.000 0.460 70 L N 5.060 126.478 121.223 0.325 0.000 2.346 70 L HA 0.806 5.577 4.340 0.324 -0.237 0.274 70 L C -0.877 176.286 176.870 0.488 0.000 1.007 70 L CA -1.715 53.346 54.840 0.369 0.000 0.818 70 L CB 2.798 45.014 42.059 0.261 0.000 1.284 70 L HN 0.508 8.947 8.230 0.348 0.000 0.424 71 N N 0.800 119.766 118.700 0.444 0.000 2.402 71 N HA 0.500 5.590 4.740 0.402 -0.109 0.294 71 N C -2.069 173.517 175.510 0.127 0.000 1.203 71 N CA -0.369 52.878 53.050 0.329 0.000 0.838 71 N CB 4.350 42.957 38.487 0.201 0.000 1.306 71 N HN -0.130 8.481 8.380 0.384 0.000 0.510 72 Q N 1.329 121.118 119.800 -0.017 0.000 2.406 72 Q HA 0.414 4.570 4.340 -0.307 0.000 0.244 72 Q C -2.381 173.557 176.000 -0.102 0.000 0.884 72 Q CA -0.280 55.354 55.803 -0.281 0.000 0.813 72 Q CB 3.615 31.899 28.738 -0.756 0.000 1.368 72 Q HN 0.289 8.625 8.270 0.109 0.000 0.439 73 T N 4.954 119.466 114.554 -0.070 0.000 2.918 73 T HA 0.478 4.824 4.350 -0.006 0.000 0.286 73 T C -0.434 174.243 174.700 -0.037 0.000 1.026 73 T CA -1.287 60.798 62.100 -0.025 0.000 1.031 73 T CB 1.721 70.590 68.868 0.002 0.000 1.046 73 T HN 0.193 8.384 8.240 -0.082 0.000 0.479 74 N N 0.682 119.371 118.700 -0.019 0.000 2.308 74 N HA 0.295 5.020 4.740 -0.024 0.000 0.283 74 N C -0.207 175.299 175.510 -0.006 0.000 1.105 74 N CA -0.174 52.864 53.050 -0.019 0.000 0.840 74 N CB 3.542 42.014 38.487 -0.025 0.000 1.633 74 N HN -0.219 8.158 8.380 -0.005 0.000 0.476 75 I N 3.347 123.913 120.570 -0.006 0.000 2.882 75 I HA -0.093 4.078 4.170 0.002 0.000 0.276 75 I C -1.116 175.001 176.117 -0.000 0.000 1.096 75 I CA 0.106 61.405 61.300 -0.001 0.000 1.872 75 I CB -0.751 37.248 38.000 -0.002 0.000 1.383 75 I HN 0.486 8.690 8.210 -0.010 0.000 0.758 76 E N 3.101 123.302 120.200 0.002 0.000 2.279 76 E HA 0.183 4.535 4.350 0.003 0.000 0.252 76 E C -1.096 175.509 176.600 0.009 0.000 0.894 76 E CA -1.136 55.266 56.400 0.003 0.000 0.785 76 E CB 1.271 30.971 29.700 0.000 0.000 1.237 76 E HN -0.033 8.224 8.360 0.002 0.105 0.418 77 N N 4.088 122.793 118.700 0.009 0.000 2.708 77 N HA -0.405 4.342 4.740 0.012 0.000 0.251 77 N C -1.581 173.939 175.510 0.017 0.000 1.017 77 N CA 1.109 54.166 53.050 0.013 0.000 0.742 77 N CB -0.332 38.163 38.487 0.013 0.000 0.943 77 N HN 0.708 9.093 8.380 0.007 0.000 0.539 78 N N -5.061 113.648 118.700 0.016 0.000 2.705 78 N HA -0.466 4.285 4.740 0.018 0.000 0.255 78 N C -1.492 174.035 175.510 0.028 0.000 1.008 78 N CA 1.190 54.252 53.050 0.021 0.000 0.742 78 N CB -0.614 37.886 38.487 0.021 0.000 0.906 78 N HN 0.135 8.510 8.380 0.013 0.013 0.541 79 N N -0.731 117.984 118.700 0.025 0.000 2.426 79 N HA 0.056 4.822 4.740 0.044 0.000 0.257 79 N C -1.645 173.888 175.510 0.038 0.000 1.002 79 N CA -0.386 52.684 53.050 0.034 0.000 0.942 79 N CB 1.642 40.144 38.487 0.025 0.000 1.112 79 N HN -0.317 8.073 8.380 0.018 0.000 0.499 80 N N 1.562 120.301 118.700 0.064 0.000 2.229 80 N HA 0.619 5.551 4.740 0.050 -0.162 0.298 80 N C -0.939 174.656 175.510 0.141 0.000 1.114 80 N CA -1.077 52.023 53.050 0.083 0.000 0.776 80 N CB 3.074 41.614 38.487 0.089 0.000 1.501 80 N HN 0.152 8.577 8.380 0.076 0.000 0.474 81 K N -0.502 119.992 120.400 0.156 0.000 2.443 81 K HA 0.575 5.235 4.320 0.267 -0.180 0.251 81 K C -2.349 174.473 176.600 0.369 0.000 0.972 81 K CA -1.193 55.229 56.287 0.225 0.000 0.833 81 K CB 5.038 37.626 32.500 0.147 0.000 1.317 81 K HN 0.780 9.091 8.250 0.101 0.000 0.441 82 F N -2.969 117.134 119.950 0.256 0.000 2.556 82 F HA 0.602 5.490 4.527 0.369 -0.140 0.314 82 F C -2.466 173.515 175.800 0.302 0.000 1.106 82 F CA -2.531 55.645 58.000 0.292 0.000 0.911 82 F CB 2.920 42.031 39.000 0.185 0.000 1.190 82 F HN -0.251 8.003 8.300 -0.076 0.000 0.448 83 Y N 3.763 124.205 120.300 0.236 0.000 2.341 83 Y HA 0.547 5.204 4.550 -0.063 -0.144 0.338 83 Y C -2.023 173.925 175.900 0.080 0.000 0.965 83 Y CA -1.843 56.252 58.100 -0.008 0.000 1.108 83 Y CB 3.267 41.499 38.460 -0.379 0.000 1.180 83 Y HN 0.443 8.957 8.280 0.574 0.111 0.458 84 I N 5.804 126.505 120.570 0.218 0.000 2.433 84 I HA 0.300 4.650 4.170 0.300 0.000 0.292 84 I C -1.636 174.590 176.117 0.183 0.000 1.001 84 I CA -0.962 60.490 61.300 0.254 0.000 1.119 84 I CB 3.102 41.275 38.000 0.288 0.000 1.289 84 I HN 0.071 8.215 8.210 -0.111 0.000 0.438 85 I N 6.865 127.523 120.570 0.147 0.000 2.493 85 I HA 0.406 4.747 4.170 0.035 -0.150 0.279 85 I C -1.767 174.401 176.117 0.085 0.000 1.045 85 I CA -0.750 60.532 61.300 -0.031 0.000 1.106 85 I CB 1.393 39.151 38.000 -0.403 0.000 1.216 85 I HN -0.238 8.076 8.210 0.174 0.000 0.459 86 Q N 4.788 124.794 119.800 0.344 0.000 2.377 86 Q HA 0.869 5.846 4.340 0.689 -0.223 0.271 86 Q C -1.703 174.609 176.000 0.520 0.000 1.077 86 Q CA -2.335 53.782 55.803 0.524 0.000 0.820 86 Q CB 4.544 33.549 28.738 0.445 0.000 1.347 86 Q HN -0.134 8.337 8.270 0.334 0.000 0.444 87 L N 3.549 125.067 121.223 0.490 0.000 2.280 87 L HA 0.279 4.833 4.340 0.356 0.000 0.287 87 L C -2.028 175.067 176.870 0.374 0.000 1.023 87 L CA -0.813 54.244 54.840 0.361 0.000 0.819 87 L CB 1.587 43.730 42.059 0.140 0.000 1.212 87 L HN -0.201 8.330 8.230 0.502 0.000 0.420 88 L N 3.644 125.069 121.223 0.336 0.000 2.358 88 L HA 0.600 5.250 4.340 0.279 -0.143 0.268 88 L C -1.235 175.805 176.870 0.284 0.000 1.032 88 L CA -1.776 53.232 54.840 0.281 0.000 0.805 88 L CB 2.431 44.608 42.059 0.195 0.000 1.253 88 L HN 0.352 8.780 8.230 0.331 0.000 0.452 89 Q N -0.268 119.629 119.800 0.162 0.000 2.268 89 Q HA 0.380 4.734 4.340 -0.188 -0.126 0.266 89 Q C -1.951 173.999 176.000 -0.083 0.000 1.006 89 Q CA -1.062 54.700 55.803 -0.067 0.000 0.824 89 Q CB 4.208 32.887 28.738 -0.098 0.000 1.306 89 Q HN 0.055 8.416 8.270 0.151 0.000 0.424 90 D N 5.650 125.971 120.400 -0.131 0.000 2.387 90 D HA 0.322 4.936 4.640 -0.044 0.000 0.255 90 D C 0.164 176.369 176.300 -0.159 0.000 1.081 90 D CA -1.635 52.316 54.000 -0.083 0.000 0.994 90 D CB 1.320 42.116 40.800 -0.007 0.000 1.127 90 D HN 0.180 8.443 8.370 -0.178 0.000 0.513 91 S N -1.803 113.826 115.700 -0.117 0.000 2.603 91 S HA -0.194 4.193 4.470 -0.140 0.000 0.229 91 S C -0.017 174.455 174.600 -0.213 0.000 0.972 91 S CA 0.967 59.084 58.200 -0.138 0.000 0.935 91 S CB -0.364 62.784 63.200 -0.086 0.000 0.769 91 S HN 0.379 8.644 8.310 -0.075 0.000 0.536 92 N N 0.096 118.628 118.700 -0.280 0.000 2.455 92 N HA 0.162 4.647 4.740 -0.425 0.000 0.258 92 N C -1.196 173.653 175.510 -1.102 0.000 1.158 92 N CA -0.852 51.887 53.050 -0.519 0.000 0.893 92 N CB -0.202 38.118 38.487 -0.278 0.000 1.173 92 N HN -0.666 7.680 8.380 -0.206 -0.090 0.503 93 R N -5.947 114.143 120.500 -0.684 0.000 3.484 93 R HA -0.401 3.650 4.340 -0.481 0.000 0.260 93 R C -1.335 174.605 176.300 -0.599 0.000 1.053 93 R CA 1.382 57.111 56.100 -0.618 0.000 0.703 93 R CB -2.920 27.101 30.300 -0.465 0.000 1.089 93 R HN -0.453 7.445 8.270 -0.460 0.095 0.459 94 F N -3.395 116.391 119.950 -0.273 0.000 2.536 94 F HA 0.272 4.800 4.527 0.003 0.000 0.322 94 F C -1.203 174.471 175.800 -0.210 0.000 1.144 94 F CA -2.987 54.934 58.000 -0.131 0.000 0.924 94 F CB 1.716 40.705 39.000 -0.019 0.000 1.181 94 F HN -0.371 7.898 8.300 -0.439 -0.232 0.438 95 F N 1.952 122.054 119.950 0.253 0.000 2.380 95 F HA 0.462 5.186 4.527 0.132 -0.118 0.321 95 F C 0.250 176.190 175.800 0.233 0.000 1.103 95 F CA -1.103 56.995 58.000 0.164 0.000 1.067 95 F CB 2.216 41.234 39.000 0.030 0.000 1.265 95 F HN 0.165 8.856 8.300 0.651 0.000 0.517 96 T N 2.536 117.321 114.554 0.386 0.000 3.011 96 T HA 0.618 5.257 4.350 0.203 -0.168 0.303 96 T C -1.144 173.722 174.700 0.278 0.000 0.997 96 T CA -0.347 61.903 62.100 0.250 0.000 1.007 96 T CB 2.234 71.195 68.868 0.154 0.000 1.017 96 T HN 0.484 8.852 8.240 0.383 0.102 0.443 97 C N 7.383 126.858 119.300 0.293 0.000 2.322 97 C HA 0.074 4.862 4.460 0.332 -0.129 0.343 97 C C -0.574 174.564 174.990 0.246 0.000 1.190 97 C CA 0.037 59.242 59.018 0.312 0.000 1.704 97 C CB 0.517 28.497 27.740 0.400 0.000 2.293 97 C HN 0.997 9.298 8.230 0.270 0.091 0.523 98 W N 8.794 130.153 121.300 0.099 0.000 2.387 98 W HA 0.047 4.709 4.660 0.004 0.000 0.310 98 W C -2.450 174.108 176.519 0.064 0.000 1.181 98 W CA -0.772 56.605 57.345 0.053 0.000 1.333 98 W CB 0.750 30.248 29.460 0.064 0.000 1.286 98 W HN 0.328 8.776 8.180 0.447 0.000 0.455 99 N N 10.227 128.551 118.700 -0.628 0.000 2.443 99 N HA 0.766 5.471 4.740 -0.407 -0.209 0.269 99 N C -2.104 172.819 175.510 -0.978 0.000 0.985 99 N CA -0.486 52.228 53.050 -0.560 0.000 0.921 99 N CB 3.992 42.409 38.487 -0.115 0.000 1.195 99 N HN 0.543 8.580 8.380 -0.570 0.000 0.492 100 R N 5.875 125.846 120.500 -0.882 0.000 2.561 100 R HA 0.353 4.050 4.340 -1.071 0.000 0.297 100 R C -2.785 173.138 176.300 -0.629 0.000 0.969 100 R CA -1.487 54.122 56.100 -0.818 0.000 0.879 100 R CB 3.406 33.424 30.300 -0.470 0.000 1.178 100 R HN -0.247 7.639 8.270 -0.639 0.000 0.445 101 W N 1.880 122.741 121.300 -0.731 0.000 3.038 101 W HA 1.140 5.331 4.660 -1.189 -0.244 0.347 101 W C -2.007 174.060 176.519 -0.753 0.000 1.219 101 W CA -1.753 55.053 57.345 -0.898 0.000 1.142 101 W CB 3.257 32.257 29.460 -0.766 0.000 1.484 101 W HN -0.469 6.972 8.180 -1.232 0.000 0.586 102 G N -2.435 106.123 108.800 -0.402 0.000 2.534 102 G HA2 -0.129 3.876 3.960 0.076 0.000 0.142 102 G HA3 -0.129 3.732 3.960 -0.164 0.000 0.142 102 G C -2.631 172.269 174.900 -0.000 0.000 1.178 102 G CA 0.226 45.241 45.100 -0.143 0.000 1.037 102 G HN -0.520 7.552 8.290 -0.364 0.000 0.474 103 R N 0.830 121.461 120.500 0.219 0.000 2.387 103 R HA 0.387 5.040 4.340 0.228 -0.176 0.314 103 R C 0.219 176.808 176.300 0.481 0.000 0.958 103 R CA -1.529 54.741 56.100 0.284 0.000 0.846 103 R CB 2.352 32.757 30.300 0.176 0.000 1.147 103 R HN -0.160 8.367 8.270 0.251 -0.106 0.447 104 V N 5.993 126.172 119.914 0.442 0.000 2.555 104 V HA -0.447 3.873 4.120 0.333 0.000 0.299 104 V C 0.440 176.595 176.094 0.101 0.000 1.012 104 V CA 2.300 64.778 62.300 0.296 0.000 1.180 104 V CB -0.215 31.730 31.823 0.203 0.000 0.887 104 V HN 0.315 8.573 8.190 0.352 0.144 0.476 105 G N 6.361 115.132 108.800 -0.048 0.000 2.391 105 G HA2 -0.103 3.809 3.960 -0.079 0.000 0.204 105 G HA3 -0.103 3.862 3.960 0.008 0.000 0.204 105 G C -1.107 173.777 174.900 -0.027 0.000 1.012 105 G CA -0.519 44.556 45.100 -0.041 0.000 0.651 105 G HN 0.063 8.205 8.290 -0.248 0.000 0.494 106 E N 0.743 120.977 120.200 0.057 0.000 2.254 106 E HA 0.361 4.736 4.350 0.042 0.000 0.258 106 E C 0.679 177.365 176.600 0.143 0.000 1.033 106 E CA -1.280 55.172 56.400 0.087 0.000 0.893 106 E CB 1.817 31.585 29.700 0.114 0.000 1.204 106 E HN -0.277 8.096 8.360 0.134 0.067 0.425 107 V N -0.168 119.823 119.914 0.129 0.000 2.307 107 V HA -0.250 3.972 4.120 0.170 0.000 0.245 107 V C 0.562 176.804 176.094 0.247 0.000 1.045 107 V CA 0.788 63.188 62.300 0.167 0.000 1.024 107 V CB -0.383 31.494 31.823 0.090 0.000 0.651 107 V HN 0.548 8.791 8.190 0.089 0.000 0.449 108 G N -3.332 105.548 108.800 0.134 0.000 2.642 108 G HA2 -0.393 3.575 3.960 0.013 0.000 0.231 108 G HA3 -0.393 3.688 3.960 -0.016 -0.130 0.231 108 G C -0.720 174.083 174.900 -0.162 0.000 1.338 108 G CA -0.444 44.658 45.100 0.003 0.000 0.883 108 G HN -0.961 7.519 8.290 0.111 -0.123 0.570 109 Q N 1.053 120.600 119.800 -0.422 0.000 2.397 109 Q HA 0.152 4.279 4.340 -0.354 0.000 0.193 109 Q C -0.504 175.059 176.000 -0.729 0.000 1.083 109 Q CA -0.962 54.476 55.803 -0.609 0.000 1.108 109 Q CB 1.256 29.448 28.738 -0.911 0.000 1.172 109 Q HN 0.033 8.008 8.270 -0.491 0.000 0.617 110 S N -2.669 112.580 115.700 -0.752 0.000 2.626 110 S HA 0.140 4.056 4.470 -0.923 0.000 0.275 110 S C -1.663 172.539 174.600 -0.663 0.000 1.175 110 S CA -0.452 57.340 58.200 -0.679 0.000 0.982 110 S CB 2.208 65.314 63.200 -0.156 0.000 1.093 110 S HN -0.033 7.868 8.310 -0.681 0.000 0.472 111 K N 5.371 125.267 120.400 -0.839 0.000 2.371 111 K HA 0.451 4.607 4.320 -0.274 0.000 0.251 111 K C -2.448 173.936 176.600 -0.359 0.000 0.934 111 K CA -1.247 54.775 56.287 -0.442 0.000 0.798 111 K CB 3.797 36.171 32.500 -0.209 0.000 1.204 111 K HN 0.759 8.318 8.250 -1.152 0.000 0.427 112 I N 3.283 123.780 120.570 -0.122 0.000 2.686 112 I HA 0.424 4.733 4.170 -0.015 -0.148 0.295 112 I C -1.917 174.087 176.117 -0.189 0.000 1.114 112 I CA -1.551 59.717 61.300 -0.053 0.000 1.038 112 I CB 3.733 41.789 38.000 0.094 0.000 1.238 112 I HN 0.298 8.456 8.210 -0.087 0.000 0.420 113 N N 7.579 126.125 118.700 -0.258 0.000 2.258 113 N HA 0.402 4.913 4.740 -0.382 0.000 0.299 113 N C -2.070 173.082 175.510 -0.596 0.000 1.047 113 N CA -1.017 51.788 53.050 -0.408 0.000 0.814 113 N CB 3.148 41.464 38.487 -0.286 0.000 1.413 113 N HN 0.179 8.475 8.380 -0.139 0.000 0.478 114 H N 1.621 120.457 119.070 -0.389 0.000 2.476 114 H HA 0.342 4.982 4.556 -0.076 -0.130 0.328 114 H C -1.044 173.993 175.328 -0.484 0.000 1.073 114 H CA -0.435 55.450 56.048 -0.272 0.000 1.229 114 H CB 1.199 30.866 29.762 -0.158 0.000 1.432 114 H HN 0.302 8.343 8.280 -0.399 0.000 0.477 115 F N 3.118 123.168 119.950 0.167 0.000 2.507 115 F HA 0.361 4.929 4.527 0.069 0.000 0.325 115 F C 0.267 176.166 175.800 0.165 0.000 1.116 115 F CA -0.956 57.114 58.000 0.118 0.000 0.930 115 F CB 2.339 41.390 39.000 0.085 0.000 1.146 115 F HN 0.650 9.025 8.300 0.306 0.108 0.447 116 T N 1.005 115.710 114.554 0.251 0.000 2.857 116 T HA -0.154 4.324 4.350 0.214 0.000 0.266 116 T C 0.494 175.413 174.700 0.365 0.000 1.048 116 T CA 1.712 63.947 62.100 0.224 0.000 1.139 116 T CB 0.381 69.286 68.868 0.062 0.000 0.874 116 T HN 0.334 8.702 8.240 0.212 0.000 0.455 117 R N 0.784 121.442 120.500 0.264 0.000 2.457 117 R HA 0.167 4.632 4.340 0.208 0.000 0.284 117 R C 0.489 176.818 176.300 0.048 0.000 1.024 117 R CA -0.941 55.260 56.100 0.168 0.000 1.025 117 R CB 1.545 31.888 30.300 0.072 0.000 1.063 117 R HN -0.217 8.200 8.270 0.245 0.000 0.493 118 L N 4.976 126.133 121.223 -0.110 0.000 1.973 118 L HA -0.242 3.255 4.340 -1.404 0.000 0.208 118 L C 1.457 177.990 176.870 -0.563 0.000 1.073 118 L CA 3.354 57.762 54.840 -0.721 0.000 0.746 118 L CB -0.264 41.396 42.059 -0.665 0.000 0.891 118 L HN 0.552 8.793 8.230 0.019 0.000 0.433 119 E N -2.052 117.956 120.200 -0.320 0.000 2.086 119 E HA -0.476 3.713 4.350 -0.268 0.000 0.200 119 E C 1.997 178.422 176.600 -0.291 0.000 1.012 119 E CA 3.650 59.897 56.400 -0.254 0.000 0.812 119 E CB -1.045 28.572 29.700 -0.139 0.000 0.743 119 E HN 0.350 8.575 8.360 -0.225 0.000 0.453 120 D N -1.800 118.444 120.400 -0.260 0.000 2.133 120 D HA -0.277 4.211 4.640 -0.254 0.000 0.192 120 D C 1.805 177.729 176.300 -0.626 0.000 1.001 120 D CA 3.193 56.997 54.000 -0.326 0.000 0.844 120 D CB -0.451 40.234 40.800 -0.192 0.000 0.944 120 D HN 0.167 8.425 8.370 -0.189 -0.001 0.447 121 A N -0.867 121.535 122.820 -0.697 0.000 1.902 121 A HA -0.339 3.114 4.320 -1.446 0.000 0.217 121 A C 2.201 179.466 177.584 -0.531 0.000 1.181 121 A CA 2.974 54.531 52.037 -0.801 0.000 0.623 121 A CB -0.399 18.346 19.000 -0.425 0.000 0.818 121 A HN -0.488 7.280 8.150 -0.507 0.079 0.443 122 K N -1.554 118.546 120.400 -0.501 0.000 2.032 122 K HA -0.473 3.506 4.320 -0.568 0.000 0.209 122 K C 2.489 178.929 176.600 -0.267 0.000 1.048 122 K CA 3.612 59.633 56.287 -0.444 0.000 0.927 122 K CB -0.304 31.957 32.500 -0.399 0.000 0.712 122 K HN -0.313 7.542 8.250 -0.538 0.072 0.441 123 K N -2.633 117.620 120.400 -0.245 0.000 2.113 123 K HA -0.368 3.893 4.320 -0.098 0.000 0.208 123 K C 2.306 178.826 176.600 -0.133 0.000 1.047 123 K CA 3.813 60.006 56.287 -0.156 0.000 0.928 123 K CB -0.369 32.037 32.500 -0.157 0.000 0.716 123 K HN 0.276 8.352 8.250 -0.290 0.000 0.446 124 D N -1.051 119.222 120.400 -0.213 0.000 2.123 124 D HA -0.182 4.396 4.640 -0.104 0.000 0.200 124 D C 1.993 178.254 176.300 -0.065 0.000 0.976 124 D CA 3.068 56.980 54.000 -0.148 0.000 0.831 124 D CB -0.114 40.551 40.800 -0.225 0.000 0.974 124 D HN -0.803 7.259 8.370 -0.337 0.105 0.469 125 F N 0.729 120.536 119.950 -0.238 0.000 2.102 125 F HA -0.339 4.105 4.527 -0.139 0.000 0.298 125 F C 1.679 177.377 175.800 -0.170 0.000 1.105 125 F CA 3.464 61.325 58.000 -0.232 0.000 1.239 125 F CB 0.408 39.148 39.000 -0.433 0.000 0.991 125 F HN -0.164 8.021 8.300 -0.056 0.082 0.474 126 E N -1.245 119.070 120.200 0.192 0.000 2.046 126 E HA -0.482 4.047 4.350 0.298 0.000 0.190 126 E C 1.977 178.690 176.600 0.188 0.000 0.982 126 E CA 3.243 59.771 56.400 0.213 0.000 0.800 126 E CB -0.152 29.635 29.700 0.146 0.000 0.756 126 E HN 0.434 8.847 8.360 0.087 0.000 0.449 127 K N -0.413 120.032 120.400 0.075 0.000 2.001 127 K HA -0.347 4.008 4.320 0.058 0.000 0.214 127 K C 2.343 178.947 176.600 0.006 0.000 1.050 127 K CA 3.069 59.377 56.287 0.036 0.000 0.934 127 K CB -0.099 32.393 32.500 -0.013 0.000 0.718 127 K HN -0.047 8.115 8.250 0.035 0.109 0.443 128 K N -1.576 118.797 120.400 -0.045 0.000 1.991 128 K HA -0.276 3.950 4.320 -0.155 0.000 0.212 128 K C 2.224 178.733 176.600 -0.152 0.000 1.049 128 K CA 2.567 58.771 56.287 -0.139 0.000 0.932 128 K CB -0.724 31.663 32.500 -0.187 0.000 0.717 128 K HN -0.449 7.775 8.250 -0.044 0.000 0.441 129 F N -0.367 119.444 119.950 -0.231 0.000 2.043 129 F HA -0.495 3.893 4.527 -0.231 0.000 0.297 129 F C 1.758 177.561 175.800 0.005 0.000 1.118 129 F CA 3.488 61.405 58.000 -0.138 0.000 1.202 129 F CB 0.126 39.098 39.000 -0.047 0.000 0.965 129 F HN -0.620 7.686 8.300 0.010 0.000 0.482 130 R N -0.876 119.746 120.500 0.203 0.000 2.120 130 R HA -0.423 4.022 4.340 -0.018 -0.116 0.234 130 R C 2.082 178.333 176.300 -0.081 0.000 1.123 130 R CA 2.985 59.135 56.100 0.083 0.000 0.975 130 R CB -0.224 30.221 30.300 0.241 0.000 0.866 130 R HN 0.377 8.921 8.270 0.457 0.000 0.446 131 E N -2.905 117.238 120.200 -0.095 0.000 2.274 131 E HA -0.246 4.045 4.350 -0.098 0.000 0.194 131 E C 2.217 178.712 176.600 -0.175 0.000 0.996 131 E CA 2.625 58.949 56.400 -0.126 0.000 0.840 131 E CB -0.152 29.474 29.700 -0.123 0.000 0.772 131 E HN 0.009 8.200 8.360 -0.062 0.132 0.491 132 K N -2.869 117.378 120.400 -0.256 0.000 2.334 132 K HA 0.125 4.365 4.320 -0.134 0.000 0.195 132 K C 1.311 177.828 176.600 -0.137 0.000 1.045 132 K CA 1.295 57.440 56.287 -0.236 0.000 1.004 132 K CB 0.679 32.869 32.500 -0.517 0.000 0.837 132 K HN -0.207 7.697 8.250 -0.297 0.168 0.510 133 T N -5.387 109.001 114.554 -0.277 0.000 3.044 133 T HA 0.295 4.607 4.350 -0.063 0.000 0.260 133 T C -0.253 174.323 174.700 -0.207 0.000 1.019 133 T CA -0.969 60.990 62.100 -0.235 0.000 0.921 133 T CB 0.912 69.548 68.868 -0.387 0.000 1.053 133 T HN -0.061 7.852 8.240 -0.382 0.097 0.533 134 K N -2.751 117.550 120.400 -0.165 0.000 2.948 134 K HA -0.442 3.887 4.320 -0.116 -0.078 0.253 134 K C -1.771 174.794 176.600 -0.059 0.000 0.970 134 K CA 1.642 57.849 56.287 -0.133 0.000 0.716 134 K CB -2.196 30.135 32.500 -0.280 0.000 1.249 134 K HN 0.012 8.046 8.250 -0.175 0.112 0.483 135 N N -4.106 114.573 118.700 -0.035 0.000 2.647 135 N HA 0.119 4.904 4.740 0.075 0.000 0.266 135 N C -2.377 173.319 175.510 0.311 0.000 1.373 135 N CA -0.841 52.262 53.050 0.089 0.000 0.807 135 N CB 4.738 43.215 38.487 -0.015 0.000 1.513 135 N HN -0.721 7.582 8.380 -0.077 0.030 0.505 136 N N 0.386 119.313 118.700 0.378 0.000 2.456 136 N HA 0.204 5.205 4.740 0.434 0.000 0.288 136 N C -0.346 175.471 175.510 0.511 0.000 1.059 136 N CA -0.335 52.965 53.050 0.417 0.000 0.946 136 N CB 0.750 39.408 38.487 0.285 0.000 1.150 136 N HN 0.321 8.918 8.380 0.363 0.000 0.479 137 W N 4.671 126.158 121.300 0.311 0.000 2.342 137 W HA -0.354 4.336 4.660 0.051 0.000 0.297 137 W C 0.613 177.173 176.519 0.068 0.000 1.213 137 W CA 3.540 60.938 57.345 0.089 0.000 1.251 137 W CB 0.097 29.526 29.460 -0.052 0.000 1.136 137 W HN 0.468 9.031 8.180 0.639 0.000 0.526 138 A N -1.299 121.609 122.820 0.146 0.000 1.898 138 A HA -0.227 4.043 4.320 -0.083 0.000 0.216 138 A C 0.726 178.254 177.584 -0.093 0.000 1.181 138 A CA 2.530 54.565 52.037 -0.003 0.000 0.620 138 A CB -0.868 18.175 19.000 0.071 0.000 0.819 138 A HN 0.090 8.397 8.150 0.286 0.015 0.442 139 E N -2.052 118.122 120.200 -0.043 0.000 2.304 139 E HA 0.030 4.196 4.350 -0.307 0.000 0.212 139 E C 0.781 177.288 176.600 -0.154 0.000 1.185 139 E CA -0.670 55.586 56.400 -0.240 0.000 1.326 139 E CB -1.488 28.014 29.700 -0.330 0.000 1.283 139 E HN 0.319 8.649 8.360 0.076 0.076 0.440 140 R N -1.520 118.939 120.500 -0.068 0.000 2.241 140 R HA -0.282 4.254 4.340 0.327 0.000 0.224 140 R C 1.199 177.537 176.300 0.064 0.000 1.101 140 R CA 2.681 58.815 56.100 0.055 0.000 0.995 140 R CB -0.567 29.591 30.300 -0.236 0.000 0.870 140 R HN -0.785 7.275 8.270 -0.164 0.112 0.463 141 D N 0.564 120.920 120.400 -0.073 0.000 2.123 141 D HA -0.245 4.378 4.640 -0.028 0.000 0.196 141 D C 0.725 177.079 176.300 0.090 0.000 0.992 141 D CA 2.694 56.669 54.000 -0.040 0.000 0.833 141 D CB 0.179 40.914 40.800 -0.108 0.000 0.954 141 D HN 0.315 8.521 8.370 -0.167 0.064 0.455 142 H N -4.721 114.392 119.070 0.070 0.000 2.640 142 H HA 0.140 4.730 4.556 0.057 0.000 0.312 142 H C -0.635 174.747 175.328 0.091 0.000 1.110 142 H CA -2.461 53.625 56.048 0.064 0.000 1.098 142 H CB -0.745 29.035 29.762 0.032 0.000 1.485 142 H HN -0.675 7.494 8.280 -0.184 0.000 0.526 143 F N 3.075 123.164 119.950 0.231 0.000 2.506 143 F HA -0.335 4.482 4.527 0.214 -0.161 0.387 143 F C -1.074 174.740 175.800 0.022 0.000 1.053 143 F CA 0.743 58.834 58.000 0.152 0.000 1.083 143 F CB -0.542 38.533 39.000 0.124 0.000 1.010 143 F HN -0.692 7.695 8.300 0.429 0.171 0.551 144 V N 9.718 129.373 119.914 -0.431 0.000 2.406 144 V HA -0.025 3.948 4.120 -0.244 0.000 0.272 144 V C -1.143 174.488 176.094 -0.772 0.000 1.043 144 V CA -0.936 61.073 62.300 -0.484 0.000 0.915 144 V CB 0.999 32.516 31.823 -0.509 0.000 0.988 144 V HN -0.483 7.653 8.190 -0.485 -0.237 0.466 145 S N 6.837 122.312 115.700 -0.375 0.000 2.416 145 S HA 0.140 4.493 4.470 -0.194 0.000 0.287 145 S C -0.144 174.273 174.600 -0.304 0.000 1.139 145 S CA -0.475 57.602 58.200 -0.205 0.000 1.058 145 S CB 0.403 63.659 63.200 0.094 0.000 0.967 145 S HN 0.148 8.347 8.310 -0.185 0.000 0.495 146 H N 5.954 124.984 119.070 -0.068 0.000 2.511 146 H HA 0.262 4.786 4.556 -0.054 0.000 0.346 146 H C -1.665 173.644 175.328 -0.032 0.000 1.128 146 H CA -2.411 53.601 56.048 -0.058 0.000 1.342 146 H CB -0.413 29.299 29.762 -0.084 0.000 1.470 146 H HN 0.295 8.478 8.280 -0.161 0.000 0.546 147 P HA -0.069 4.366 4.420 0.025 0.000 0.269 147 P C 0.066 177.378 177.300 0.020 0.000 1.252 147 P CA 0.670 63.791 63.100 0.036 0.000 0.780 147 P CB -0.600 31.113 31.700 0.022 0.000 0.829 148 G N 5.123 113.922 108.800 -0.002 0.000 2.349 148 G HA2 -0.328 3.601 3.960 -0.052 0.000 0.213 148 G HA3 -0.328 3.613 3.960 -0.032 0.000 0.213 148 G C -0.430 174.430 174.900 -0.067 0.000 1.044 148 G CA -0.304 44.774 45.100 -0.037 0.000 0.633 148 G HN 0.391 8.681 8.290 0.001 0.000 0.506 149 K N 1.385 121.776 120.400 -0.015 0.000 2.202 149 K HA 0.061 4.365 4.320 -0.026 0.000 0.238 149 K C 0.199 176.789 176.600 -0.017 0.000 1.070 149 K CA -0.067 56.221 56.287 0.002 0.000 0.859 149 K CB 0.504 33.045 32.500 0.068 0.000 1.140 149 K HN -0.565 7.625 8.250 0.029 0.077 0.515 150 Y N -2.026 118.292 120.300 0.030 0.000 2.309 150 Y HA 0.192 4.982 4.550 0.079 -0.192 0.327 150 Y C 0.888 176.881 175.900 0.156 0.000 1.172 150 Y CA 0.967 59.108 58.100 0.067 0.000 1.280 150 Y CB 1.068 39.535 38.460 0.011 0.000 1.234 150 Y HN -0.498 7.940 8.280 0.263 0.000 0.512 151 T N 0.479 115.224 114.554 0.319 0.000 2.936 151 T HA 0.154 4.774 4.350 0.451 0.000 0.282 151 T C -1.330 173.521 174.700 0.252 0.000 1.003 151 T CA -2.218 60.071 62.100 0.316 0.000 1.005 151 T CB 1.833 70.817 68.868 0.192 0.000 1.097 151 T HN 0.407 8.812 8.240 0.275 0.000 0.532 152 L N 3.070 124.302 121.223 0.016 0.000 2.294 152 L HA 0.397 4.900 4.340 0.055 -0.131 0.283 152 L C -0.940 175.879 176.870 -0.085 0.000 1.015 152 L CA -1.638 53.102 54.840 -0.167 0.000 0.831 152 L CB 1.551 43.100 42.059 -0.850 0.000 1.217 152 L HN 0.258 8.485 8.230 -0.004 0.000 0.420 153 I N 2.761 123.356 120.570 0.042 0.000 3.023 153 I HA 0.514 4.691 4.170 0.011 0.000 0.312 153 I C -0.877 175.278 176.117 0.063 0.000 1.056 153 I CA -2.483 58.846 61.300 0.048 0.000 1.033 153 I CB 2.267 40.318 38.000 0.084 0.000 1.233 153 I HN 0.560 8.837 8.210 0.110 0.000 0.462 154 E N 0.435 120.666 120.200 0.050 0.000 2.603 154 E HA 0.141 4.538 4.350 0.078 0.000 0.211 154 E C -0.069 176.568 176.600 0.061 0.000 0.995 154 E CA -1.326 55.108 56.400 0.056 0.000 0.990 154 E CB 0.151 29.868 29.700 0.028 0.000 1.036 154 E HN 0.062 8.445 8.360 0.039 0.000 0.475 155 V N -0.319 119.634 119.914 0.065 0.000 3.845 155 V HA -0.508 3.642 4.120 0.051 0.000 0.547 155 V C -2.120 173.996 176.094 0.037 0.000 0.686 155 V CA 0.972 63.305 62.300 0.055 0.000 2.113 155 V CB 0.672 32.535 31.823 0.066 0.000 2.501 155 V HN -0.352 7.815 8.190 0.071 0.065 0.522 156 Q N 2.244 122.061 119.800 0.028 0.000 2.321 156 Q HA 0.247 4.599 4.340 0.021 0.000 0.270 156 Q C -1.114 174.896 176.000 0.017 0.000 1.032 156 Q CA -1.055 54.760 55.803 0.020 0.000 0.784 156 Q CB 1.605 30.352 28.738 0.014 0.000 1.264 156 Q HN 0.083 8.369 8.270 0.026 0.000 0.448 157 A N 0.000 122.830 122.820 0.016 0.000 2.254 157 A HA 0.000 4.329 4.320 0.016 0.000 0.244 157 A CA 0.000 52.045 52.037 0.013 0.000 0.836 157 A CB 0.000 19.008 19.000 0.013 0.000 0.831 157 A HN 0.000 8.160 8.150 0.016 0.000 0.486