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 2a20_1_A DATA FIRST_RESID 83 DATA SEQUENCE QEQKGDAPTC GICHKTKFAD GCGHNCSYCQ TKFCARCGGR VSLRSNKVMW DATA SEQUENCE VCNLCRKQQE 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 83 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 83 Q C 0.000 176.002 176.000 0.003 0.000 1.003 83 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 83 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 84 E N 2.767 122.970 120.200 0.004 0.000 2.265 84 E HA 0.191 4.542 4.350 0.002 0.000 0.262 84 E C -0.908 175.694 176.600 0.003 0.000 0.889 84 E CA 0.019 56.421 56.400 0.003 0.000 0.789 84 E CB 1.570 31.272 29.700 0.003 0.000 1.221 84 E HN 0.217 8.580 8.360 0.006 0.000 0.414 85 Q N 2.733 122.534 119.800 0.001 0.000 2.381 85 Q HA -0.033 4.307 4.340 0.001 0.000 0.243 85 Q C -0.005 175.995 176.000 -0.000 0.000 1.154 85 Q CA 0.386 56.189 55.803 0.000 0.000 0.899 85 Q CB -0.493 28.244 28.738 -0.001 0.000 1.396 85 Q HN 0.332 8.602 8.270 0.000 0.000 0.485 86 K N 4.804 125.204 120.400 0.000 0.000 2.646 86 K HA 0.114 4.433 4.320 -0.001 0.000 0.206 86 K C 0.378 176.977 176.600 -0.002 0.000 1.069 86 K CA -0.634 55.653 56.287 -0.000 0.000 1.067 86 K CB 0.324 32.825 32.500 0.001 0.000 0.807 86 K HN 0.090 8.533 8.250 0.001 -0.192 0.482 87 G N 0.315 109.114 108.800 -0.003 0.000 2.160 87 G HA2 -0.344 3.612 3.960 -0.006 0.000 0.251 87 G HA3 -0.344 3.612 3.960 -0.006 0.000 0.251 87 G C -0.854 174.042 174.900 -0.007 0.000 1.008 87 G CA 0.347 45.444 45.100 -0.005 0.000 0.724 87 G HN -0.128 8.096 8.290 -0.002 0.064 0.514 88 D N -0.491 119.906 120.400 -0.004 0.000 2.317 88 D HA -0.084 4.551 4.640 -0.008 0.000 0.252 88 D C -0.472 175.820 176.300 -0.013 0.000 1.174 88 D CA -0.194 53.802 54.000 -0.006 0.000 0.866 88 D CB 0.072 40.874 40.800 0.003 0.000 1.127 88 D HN -0.470 7.860 8.370 -0.001 0.038 0.467 89 A N 3.748 126.550 122.820 -0.030 0.000 2.327 89 A HA 0.136 4.435 4.320 -0.036 0.000 0.255 89 A C -1.842 175.699 177.584 -0.072 0.000 1.099 89 A CA -1.396 50.610 52.037 -0.051 0.000 0.801 89 A CB -0.385 18.570 19.000 -0.075 0.000 1.062 89 A HN 0.199 8.331 8.150 -0.031 0.000 0.496 90 P HA 0.199 4.597 4.420 -0.036 0.000 0.286 90 P C -1.835 175.109 177.300 -0.593 0.000 1.269 90 P CA -0.363 62.634 63.100 -0.172 0.000 0.787 90 P CB 0.661 32.395 31.700 0.057 0.000 0.920 91 T N -1.695 112.439 114.554 -0.699 0.000 2.900 91 T HA 0.075 3.949 4.350 -0.794 0.000 0.295 91 T C -1.148 173.143 174.700 -0.681 0.000 1.044 91 T CA -2.548 59.137 62.100 -0.692 0.000 0.995 91 T CB 2.055 70.768 68.868 -0.258 0.000 1.072 91 T HN -0.182 7.820 8.240 -0.397 0.000 0.473 92 C N 2.816 121.852 119.300 -0.439 0.000 2.637 92 C HA -0.107 4.651 4.460 0.326 -0.103 0.418 92 C C 1.563 176.650 174.990 0.161 0.000 1.319 92 C CA -0.364 58.677 59.018 0.038 0.000 1.949 92 C CB 1.297 29.091 27.740 0.091 0.000 2.639 92 C HN 0.199 8.161 8.230 -0.447 0.000 0.594 93 G N 7.438 116.391 108.800 0.255 0.000 3.124 93 G HA2 0.051 4.107 3.960 0.160 0.000 0.212 93 G HA3 0.051 4.160 3.960 0.204 -0.026 0.212 93 G C -0.834 174.167 174.900 0.168 0.000 1.181 93 G CA 0.980 46.198 45.100 0.196 0.000 0.803 93 G HN 1.093 9.490 8.290 0.360 0.109 0.529 94 I N 0.285 120.959 120.570 0.173 0.000 3.632 94 I HA 0.149 4.384 4.170 0.108 0.000 0.246 94 I C 0.822 177.005 176.117 0.109 0.000 1.125 94 I CA 1.101 62.478 61.300 0.129 0.000 1.519 94 I CB 1.085 39.161 38.000 0.128 0.000 1.555 94 I HN -0.589 7.635 8.210 0.194 0.102 0.452 95 C N -2.288 117.078 119.300 0.110 0.000 2.594 95 C HA 0.176 4.685 4.460 0.082 0.000 0.265 95 C C 0.466 175.533 174.990 0.128 0.000 1.351 95 C CA -0.563 58.509 59.018 0.091 0.000 1.744 95 C CB 0.180 27.956 27.740 0.061 0.000 1.890 95 C HN -0.019 8.284 8.230 0.120 0.000 0.551 96 H N 0.706 119.775 119.070 -0.003 0.000 2.884 96 H HA -0.382 4.322 4.556 -0.063 -0.186 0.289 96 H C -1.145 174.147 175.328 -0.060 0.000 1.142 96 H CA 1.463 57.487 56.048 -0.039 0.000 1.158 96 H CB -1.653 28.095 29.762 -0.024 0.000 1.325 96 H HN -0.074 8.254 8.280 0.149 0.041 0.366 97 K N -2.283 118.034 120.400 -0.139 0.000 2.309 97 K HA 0.035 4.209 4.320 -0.243 0.000 0.210 97 K C 0.159 176.652 176.600 -0.179 0.000 1.114 97 K CA 0.349 56.535 56.287 -0.168 0.000 0.912 97 K CB 1.757 34.218 32.500 -0.066 0.000 1.198 97 K HN -0.471 7.704 8.250 -0.048 0.046 0.471 98 T N 4.763 119.247 114.554 -0.116 0.000 2.765 98 T HA -0.181 4.117 4.350 -0.087 0.000 0.284 98 T C -0.703 173.844 174.700 -0.255 0.000 0.946 98 T CA 2.038 64.075 62.100 -0.105 0.000 1.185 98 T CB -0.108 68.763 68.868 0.006 0.000 0.887 98 T HN -0.173 8.029 8.240 -0.064 0.000 0.532 99 K N 7.133 127.379 120.400 -0.258 0.000 2.248 99 K HA 0.204 4.263 4.320 -0.663 -0.137 0.281 99 K C -0.277 176.176 176.600 -0.244 0.000 1.054 99 K CA -1.025 55.030 56.287 -0.386 0.000 0.903 99 K CB 1.144 33.489 32.500 -0.259 0.000 1.077 99 K HN -0.104 8.043 8.250 -0.172 0.000 0.474 100 F N 1.940 121.832 119.950 -0.096 0.000 2.587 100 F HA -0.208 4.229 4.527 -0.150 0.000 0.327 100 F C 0.890 176.623 175.800 -0.113 0.000 1.232 100 F CA -0.356 57.562 58.000 -0.136 0.000 1.353 100 F CB 0.197 39.087 39.000 -0.182 0.000 1.156 100 F HN 0.159 7.620 8.300 -1.254 0.086 0.599 101 A N -0.812 122.059 122.820 0.085 0.000 2.260 101 A HA -0.102 4.223 4.320 0.009 0.000 0.278 101 A C -0.843 176.748 177.584 0.012 0.000 1.269 101 A CA -0.372 51.675 52.037 0.016 0.000 0.824 101 A CB 0.876 19.867 19.000 -0.015 0.000 1.238 101 A HN -0.243 7.944 8.150 0.063 0.000 0.507 102 D N -0.748 119.649 120.400 -0.006 0.000 2.389 102 D HA -0.310 4.328 4.640 -0.004 0.000 0.278 102 D C 0.262 176.553 176.300 -0.014 0.000 1.398 102 D CA 1.261 55.256 54.000 -0.008 0.000 1.090 102 D CB -0.452 40.341 40.800 -0.011 0.000 1.108 102 D HN 0.012 8.376 8.370 -0.009 0.000 0.532 103 G N 5.511 114.308 108.800 -0.005 0.000 1.844 103 G HA2 -0.156 3.795 3.960 -0.016 0.000 0.177 103 G HA3 -0.156 3.781 3.960 -0.039 0.000 0.177 103 G C -1.665 173.226 174.900 -0.015 0.000 1.010 103 G CA -0.326 44.762 45.100 -0.020 0.000 1.257 103 G HN -0.113 8.183 8.290 0.010 0.000 0.428 104 C N 2.303 121.552 119.300 -0.084 0.000 2.783 104 C HA 0.331 4.769 4.460 -0.037 0.000 0.312 104 C C -0.487 174.235 174.990 -0.446 0.000 1.182 104 C CA -2.532 56.379 59.018 -0.177 0.000 1.432 104 C CB 1.960 29.583 27.740 -0.195 0.000 1.933 104 C HN -0.080 8.085 8.230 -0.110 0.000 0.473 105 G N 0.336 108.535 108.800 -1.002 0.000 2.873 105 G HA2 0.014 3.395 3.960 -0.965 0.000 0.170 105 G HA3 0.014 2.472 3.960 -2.505 0.000 0.170 105 G C -0.727 173.334 174.900 -1.397 0.000 1.608 105 G CA -0.349 43.859 45.100 -1.486 0.000 1.084 105 G HN -0.079 7.499 8.290 -1.188 0.000 0.563 106 H N 0.670 118.998 119.070 -1.236 0.000 2.552 106 H HA 0.136 4.069 4.556 -1.039 0.000 0.311 106 H C -1.471 173.025 175.328 -1.387 0.000 1.071 106 H CA -0.487 54.833 56.048 -1.214 0.000 1.307 106 H CB 0.497 29.492 29.762 -1.278 0.000 1.416 106 H HN -0.309 7.092 8.280 -1.464 0.000 0.464 107 N N 4.347 122.563 118.700 -0.807 0.000 2.392 107 N HA 0.468 4.924 4.740 -0.816 -0.206 0.283 107 N C -1.388 173.909 175.510 -0.355 0.000 1.003 107 N CA -0.922 51.743 53.050 -0.640 0.000 0.892 107 N CB 1.979 40.269 38.487 -0.328 0.000 1.193 107 N HN 0.301 8.374 8.380 -0.512 0.000 0.487 108 C N 5.748 124.954 119.300 -0.156 0.000 2.517 108 C HA -0.112 4.977 4.460 0.714 -0.200 0.403 108 C C 1.636 176.741 174.990 0.192 0.000 1.467 108 C CA 0.831 60.082 59.018 0.389 0.000 1.542 108 C CB -0.921 27.130 27.740 0.518 0.000 2.482 108 C HN 0.683 8.649 8.230 -0.265 0.105 0.610 109 S N 8.420 124.219 115.700 0.166 0.000 2.465 109 S HA -0.259 4.178 4.470 -0.056 0.000 0.241 109 S C -0.011 174.453 174.600 -0.227 0.000 1.000 109 S CA 2.578 60.727 58.200 -0.085 0.000 0.964 109 S CB -0.002 63.066 63.200 -0.219 0.000 0.763 109 S HN 0.819 9.193 8.310 0.291 0.111 0.512 110 Y N -1.124 119.239 120.300 0.104 0.000 2.382 110 Y HA 0.011 4.597 4.550 0.059 0.000 0.263 110 Y C 1.324 177.269 175.900 0.074 0.000 1.103 110 Y CA 1.008 59.154 58.100 0.077 0.000 1.223 110 Y CB 0.521 39.026 38.460 0.075 0.000 1.124 110 Y HN -0.689 7.732 8.280 0.331 0.058 0.501 111 C N -3.231 116.243 119.300 0.290 0.000 2.409 111 C HA -0.096 4.456 4.460 0.154 0.000 0.284 111 C C 0.132 175.202 174.990 0.133 0.000 1.354 111 C CA 0.713 59.841 59.018 0.184 0.000 1.787 111 C CB -0.316 27.533 27.740 0.182 0.000 1.900 111 C HN 0.176 8.628 8.230 0.370 0.000 0.520 112 Q N -6.979 112.896 119.800 0.125 0.000 2.324 112 Q HA -0.348 4.171 4.340 0.025 -0.164 0.200 112 Q C -1.271 174.749 176.000 0.034 0.000 0.645 112 Q CA 0.827 56.661 55.803 0.052 0.000 1.377 112 Q CB -2.438 26.320 28.738 0.035 0.000 1.486 112 Q HN -0.158 8.081 8.270 0.170 0.133 0.796 113 T N 0.791 115.403 114.554 0.096 0.000 2.926 113 T HA -0.129 4.269 4.350 0.080 0.000 0.307 113 T C -0.533 174.172 174.700 0.010 0.000 1.059 113 T CA 1.244 63.407 62.100 0.104 0.000 1.122 113 T CB 0.491 69.475 68.868 0.192 0.000 0.972 113 T HN -0.110 8.140 8.240 0.152 0.081 0.545 114 K N 5.754 126.171 120.400 0.029 0.000 2.285 114 K HA 0.366 4.577 4.320 -0.401 -0.131 0.286 114 K C -0.556 176.168 176.600 0.207 0.000 1.072 114 K CA 0.077 56.332 56.287 -0.055 0.000 0.913 114 K CB 0.285 32.887 32.500 0.169 0.000 1.067 114 K HN 0.311 8.617 8.250 0.094 0.000 0.479 115 F N 0.003 120.040 119.950 0.144 0.000 2.620 115 F HA 0.621 5.350 4.527 0.337 0.000 0.320 115 F C -1.770 174.186 175.800 0.260 0.000 1.069 115 F CA -3.469 54.676 58.000 0.240 0.000 0.953 115 F CB 2.521 41.614 39.000 0.154 0.000 1.322 115 F HN 0.955 8.597 8.300 -0.908 0.113 0.479 116 C N -3.281 116.420 119.300 0.668 0.000 2.396 116 C HA 0.350 5.155 4.460 0.576 0.000 0.359 116 C C 1.626 176.860 174.990 0.407 0.000 1.307 116 C CA -2.168 57.166 59.018 0.527 0.000 2.392 116 C CB 1.955 29.897 27.740 0.337 0.000 2.245 116 C HN -0.133 8.434 8.230 0.562 0.000 0.615 117 A N 0.618 123.583 122.820 0.243 0.000 2.125 117 A HA -0.262 3.688 4.320 -0.616 0.000 0.219 117 A C 1.271 178.905 177.584 0.083 0.000 1.156 117 A CA 2.706 54.694 52.037 -0.082 0.000 0.671 117 A CB -0.703 18.311 19.000 0.023 0.000 0.794 117 A HN 0.721 9.064 8.150 0.321 0.000 0.459 118 R N -4.127 116.438 120.500 0.108 0.000 2.254 118 R HA 0.020 4.400 4.340 0.066 0.000 0.195 118 R C -0.046 176.273 176.300 0.032 0.000 0.957 118 R CA 0.993 57.136 56.100 0.072 0.000 1.024 118 R CB 0.294 30.635 30.300 0.069 0.000 0.952 118 R HN -0.459 7.837 8.270 0.147 0.062 0.484 119 C N -0.578 118.742 119.300 0.032 0.000 2.563 119 C HA 0.340 4.754 4.460 -0.077 0.000 0.307 119 C C -1.153 173.540 174.990 -0.496 0.000 1.371 119 C CA -1.271 57.694 59.018 -0.090 0.000 1.772 119 C CB -1.152 26.620 27.740 0.054 0.000 2.283 119 C HN -0.264 7.913 8.230 0.123 0.128 0.570 120 G N -0.874 107.690 108.800 -0.392 0.000 2.489 120 G HA2 0.313 3.998 3.960 -0.633 0.000 0.305 120 G HA3 0.313 3.502 3.960 -1.286 0.000 0.305 120 G C -2.297 172.631 174.900 0.048 0.000 1.311 120 G CA 0.264 45.019 45.100 -0.574 0.000 0.813 120 G HN -0.929 7.203 8.290 -0.119 0.086 0.480 121 G N -2.716 106.183 108.800 0.165 0.000 2.660 121 G HA2 0.337 4.299 3.960 0.002 0.000 0.294 121 G HA3 0.337 4.230 3.960 -0.111 0.000 0.294 121 G C -2.707 171.803 174.900 -0.651 0.000 1.369 121 G CA -1.251 43.807 45.100 -0.070 0.000 0.912 121 G HN -0.004 8.296 8.290 0.181 0.099 0.479 122 R N 1.939 121.742 120.500 -1.161 0.000 2.234 122 R HA 0.094 3.027 4.340 -2.345 0.000 0.324 122 R C -1.219 174.693 176.300 -0.648 0.000 1.054 122 R CA 0.484 55.699 56.100 -1.476 0.000 0.912 122 R CB 0.705 30.303 30.300 -1.170 0.000 1.030 122 R HN 0.250 8.064 8.270 -0.761 0.000 0.455 123 V N 9.832 129.441 119.914 -0.508 0.000 2.443 123 V HA 0.182 4.174 4.120 -0.214 0.000 0.272 123 V C -1.630 174.357 176.094 -0.177 0.000 1.002 123 V CA -0.841 61.314 62.300 -0.242 0.000 0.840 123 V CB 1.324 33.073 31.823 -0.123 0.000 1.042 123 V HN 1.047 8.756 8.190 -0.641 0.097 0.446 124 S N 5.960 121.568 115.700 -0.152 0.000 2.499 124 S HA 0.209 4.730 4.470 -0.084 -0.101 0.279 124 S C 0.185 174.747 174.600 -0.062 0.000 1.219 124 S CA 0.176 58.320 58.200 -0.094 0.000 1.062 124 S CB 0.981 64.135 63.200 -0.078 0.000 0.978 124 S HN 0.274 8.485 8.310 -0.165 0.000 0.489 125 L N 6.115 127.310 121.223 -0.046 0.000 2.422 125 L HA 0.076 4.396 4.340 -0.033 0.000 0.256 125 L C -0.658 176.197 176.870 -0.026 0.000 1.202 125 L CA -0.316 54.504 54.840 -0.034 0.000 1.119 125 L CB -1.837 40.203 42.059 -0.032 0.000 1.383 125 L HN -0.163 8.041 8.230 -0.045 0.000 0.411 126 R N -0.514 119.970 120.500 -0.025 0.000 1.082 126 R HA -0.264 4.064 4.340 -0.019 0.000 0.424 126 R C -0.914 175.376 176.300 -0.017 0.000 1.359 126 R CA 0.022 56.111 56.100 -0.019 0.000 1.252 126 R CB -1.334 28.957 30.300 -0.015 0.000 3.555 126 R HN -0.246 7.974 8.270 -0.030 0.032 0.502 127 S N 4.568 120.260 115.700 -0.014 0.000 3.205 127 S HA -0.288 4.177 4.470 -0.009 0.000 0.381 127 S C -0.121 174.475 174.600 -0.007 0.000 1.122 127 S CA 1.796 59.990 58.200 -0.009 0.000 1.485 127 S CB -0.282 62.914 63.200 -0.006 0.000 1.058 127 S HN 0.318 8.620 8.310 -0.014 0.000 0.570 128 N N 4.309 123.005 118.700 -0.006 0.000 2.482 128 N HA -0.020 4.719 4.740 -0.002 0.000 0.323 128 N C -1.700 173.808 175.510 -0.002 0.000 0.737 128 N CA 1.165 54.212 53.050 -0.004 0.000 0.805 128 N CB 1.231 39.714 38.487 -0.007 0.000 2.448 128 N HN 0.010 8.386 8.380 -0.006 0.000 1.180 129 K N 0.525 120.922 120.400 -0.005 0.000 2.565 129 K HA 0.272 4.597 4.320 0.008 0.000 0.251 129 K C -2.199 174.401 176.600 -0.001 0.000 0.956 129 K CA -0.091 56.196 56.287 -0.000 0.000 0.809 129 K CB 4.114 36.610 32.500 -0.007 0.000 1.267 129 K HN -0.588 7.657 8.250 -0.009 0.000 0.438 130 V N 4.181 124.108 119.914 0.023 0.000 2.364 130 V HA -0.014 4.091 4.120 -0.025 0.000 0.272 130 V C -0.536 175.595 176.094 0.061 0.000 1.036 130 V CA -0.255 62.060 62.300 0.026 0.000 0.880 130 V CB 0.334 32.208 31.823 0.084 0.000 0.991 130 V HN 0.342 8.554 8.190 0.037 0.000 0.460 131 M N 7.029 126.623 119.600 -0.011 0.000 2.436 131 M HA 0.263 4.818 4.480 0.125 0.000 0.331 131 M C -1.532 174.771 176.300 0.005 0.000 1.135 131 M CA -0.591 54.733 55.300 0.039 0.000 0.987 131 M CB 3.142 35.728 32.600 -0.023 0.000 1.687 131 M HN -0.371 7.874 8.290 -0.075 0.000 0.445 132 W N 1.410 122.759 121.300 0.083 0.000 2.529 132 W HA 0.573 5.521 4.660 0.182 -0.180 0.321 132 W C -1.217 175.528 176.519 0.377 0.000 1.047 132 W CA -1.057 56.422 57.345 0.223 0.000 1.216 132 W CB 2.123 31.738 29.460 0.258 0.000 1.357 132 W HN 0.543 8.939 8.180 0.361 0.000 0.489 133 V N 4.071 124.300 119.914 0.525 0.000 2.448 133 V HA 0.322 4.779 4.120 0.561 0.000 0.295 133 V C -0.386 175.807 176.094 0.165 0.000 1.025 133 V CA -2.189 60.372 62.300 0.435 0.000 0.859 133 V CB 2.033 34.048 31.823 0.320 0.000 0.988 133 V HN 0.401 8.789 8.190 0.329 0.000 0.431 134 C N 5.879 125.207 119.300 0.048 0.000 2.741 134 C HA 0.047 3.822 4.460 -1.380 -0.143 0.403 134 C C 1.713 176.561 174.990 -0.236 0.000 1.282 134 C CA -0.883 57.831 59.018 -0.505 0.000 2.053 134 C CB 0.754 28.390 27.740 -0.174 0.000 2.731 134 C HN 0.139 8.626 8.230 0.428 0.000 0.680 135 N N 1.699 120.238 118.700 -0.268 0.000 2.430 135 N HA -0.275 4.394 4.740 -0.117 0.000 0.186 135 N C 1.812 177.271 175.510 -0.086 0.000 1.032 135 N CA 2.796 55.763 53.050 -0.138 0.000 0.893 135 N CB -0.511 37.906 38.487 -0.115 0.000 0.957 135 N HN 0.150 8.293 8.380 -0.394 0.000 0.442 136 L N -2.033 119.145 121.223 -0.075 0.000 2.209 136 L HA -0.002 4.311 4.340 -0.045 0.000 0.207 136 L C 1.566 178.400 176.870 -0.061 0.000 1.094 136 L CA 2.449 57.261 54.840 -0.048 0.000 0.790 136 L CB -0.246 41.801 42.059 -0.020 0.000 0.932 136 L HN -0.230 7.887 8.230 -0.092 0.058 0.447 137 C N -0.534 118.729 119.300 -0.062 0.000 2.538 137 C HA -0.064 4.288 4.460 -0.180 0.000 0.281 137 C C 2.037 176.959 174.990 -0.113 0.000 1.320 137 C CA 2.674 61.616 59.018 -0.127 0.000 1.714 137 C CB -1.175 26.506 27.740 -0.097 0.000 2.095 137 C HN 0.081 8.171 8.230 -0.041 0.115 0.497 138 R N 0.082 120.553 120.500 -0.048 0.000 2.152 138 R HA -0.369 3.962 4.340 -0.015 0.000 0.232 138 R C 0.723 176.993 176.300 -0.050 0.000 1.117 138 R CA 3.396 59.476 56.100 -0.035 0.000 0.981 138 R CB 0.002 30.282 30.300 -0.033 0.000 0.870 138 R HN 0.480 8.618 8.270 -0.037 0.110 0.451 139 K N -3.617 116.748 120.400 -0.058 0.000 2.078 139 K HA -0.059 4.235 4.320 -0.044 0.000 0.203 139 K C 2.935 179.502 176.600 -0.055 0.000 1.043 139 K CA 1.734 57.991 56.287 -0.050 0.000 0.960 139 K CB -0.040 32.432 32.500 -0.046 0.000 0.761 139 K HN -0.698 7.487 8.250 -0.063 0.027 0.448 140 Q N 0.075 119.835 119.800 -0.067 0.000 2.170 140 Q HA -0.243 4.064 4.340 -0.054 0.000 0.203 140 Q C 2.036 177.985 176.000 -0.084 0.000 0.976 140 Q CA 2.566 58.326 55.803 -0.070 0.000 0.858 140 Q CB 0.130 28.822 28.738 -0.077 0.000 0.907 140 Q HN -0.532 7.696 8.270 -0.071 0.000 0.433 141 Q N -3.949 115.785 119.800 -0.111 0.000 2.365 141 Q HA 0.051 4.327 4.340 -0.107 0.000 0.203 141 Q C -1.044 174.918 176.000 -0.063 0.000 0.929 141 Q CA -0.779 54.956 55.803 -0.114 0.000 0.948 141 Q CB -0.425 28.196 28.738 -0.194 0.000 1.043 141 Q HN -0.218 7.852 8.270 -0.119 0.128 0.505 142 E N 0.000 120.169 120.200 -0.051 0.000 2.725 142 E HA 0.000 4.330 4.350 -0.034 0.000 0.291 142 E CA 0.000 56.379 56.400 -0.035 0.000 0.976 142 E CB 0.000 29.683 29.700 -0.028 0.000 0.812 142 E HN 0.000 8.117 8.360 -0.056 0.209 0.440