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 1c7w_1_A DATA FIRST_RESID 87 DATA SEQUENCE EEEILRAFKV FDANGDGVID FDEFKFIMQK VGEEPLTDAE VEEAMKEADE DATA SEQUENCE DGNGVIDIPE FMDLIKKS 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 87 E HA 0.000 4.384 4.350 0.056 0.000 0.291 87 E C 0.000 176.633 176.600 0.055 0.000 1.382 87 E CA 0.000 56.428 56.400 0.047 0.000 0.976 87 E CB 0.000 29.719 29.700 0.032 0.000 0.812 88 E N -0.197 120.031 120.200 0.047 0.000 2.150 88 E HA -0.241 4.137 4.350 0.046 0.000 0.193 88 E C 1.531 178.171 176.600 0.067 0.000 0.985 88 E CA 2.789 59.218 56.400 0.049 0.000 0.814 88 E CB -0.082 29.640 29.700 0.037 0.000 0.752 88 E HN 0.506 8.892 8.360 0.043 0.000 0.466 89 E N -0.533 119.712 120.200 0.075 0.000 2.021 89 E HA -0.115 4.286 4.350 0.086 0.000 0.189 89 E C 2.354 179.050 176.600 0.161 0.000 0.980 89 E CA 2.808 59.264 56.400 0.093 0.000 0.803 89 E CB -0.373 29.365 29.700 0.063 0.000 0.766 89 E HN -0.598 7.779 8.360 0.089 0.037 0.449 90 I N -1.800 118.881 120.570 0.184 0.000 2.163 90 I HA -0.254 4.234 4.170 0.531 0.000 0.240 90 I C 2.202 178.503 176.117 0.307 0.000 1.081 90 I CA 2.495 64.005 61.300 0.351 0.000 1.353 90 I CB -1.176 36.986 38.000 0.270 0.000 1.054 90 I HN -0.160 8.125 8.210 0.125 0.000 0.407 91 L N -0.750 120.574 121.223 0.170 0.000 2.083 91 L HA -0.325 4.089 4.340 0.122 0.000 0.209 91 L C 1.992 178.927 176.870 0.108 0.000 1.083 91 L CA 3.459 58.370 54.840 0.119 0.000 0.752 91 L CB -0.669 41.437 42.059 0.077 0.000 0.899 91 L HN -0.403 7.908 8.230 0.136 0.000 0.433 92 R N -0.575 119.989 120.500 0.108 0.000 2.097 92 R HA -0.535 3.842 4.340 0.061 0.000 0.236 92 R C 1.995 178.352 176.300 0.096 0.000 1.135 92 R CA 3.514 59.667 56.100 0.087 0.000 0.934 92 R CB -0.079 30.270 30.300 0.082 0.000 0.846 92 R HN -0.141 8.082 8.270 0.122 0.121 0.431 93 A N -1.859 121.056 122.820 0.158 0.000 1.841 93 A HA -0.196 4.191 4.320 0.112 0.000 0.214 93 A C 2.077 179.646 177.584 -0.024 0.000 1.195 93 A CA 2.878 55.007 52.037 0.152 0.000 0.611 93 A CB -0.671 18.529 19.000 0.332 0.000 0.835 93 A HN -0.392 7.885 8.150 0.212 0.000 0.443 94 F N -1.360 118.316 119.950 -0.456 0.000 2.113 94 F HA -0.308 3.857 4.527 -0.602 0.000 0.297 94 F C 1.388 177.049 175.800 -0.232 0.000 1.103 94 F CA 3.719 61.321 58.000 -0.664 0.000 1.248 94 F CB 0.514 38.875 39.000 -1.064 0.000 0.999 94 F HN -0.107 8.158 8.300 -0.058 0.000 0.475 95 K N -2.937 117.553 120.400 0.150 0.000 2.280 95 K HA -0.298 4.131 4.320 0.182 0.000 0.202 95 K C 1.415 178.022 176.600 0.012 0.000 1.047 95 K CA 2.559 58.915 56.287 0.116 0.000 0.942 95 K CB -0.533 32.030 32.500 0.106 0.000 0.739 95 K HN -0.346 7.875 8.250 0.108 0.094 0.457 96 V N -1.050 118.855 119.914 -0.015 0.000 2.323 96 V HA -0.263 3.822 4.120 -0.058 0.000 0.244 96 V C 0.845 176.850 176.094 -0.149 0.000 1.041 96 V CA 1.887 64.151 62.300 -0.060 0.000 1.025 96 V CB 0.229 32.029 31.823 -0.038 0.000 0.656 96 V HN -0.571 7.618 8.190 0.009 0.006 0.451 97 F N -1.680 118.102 119.950 -0.280 0.000 2.216 97 F HA -0.314 4.016 4.527 -0.329 0.000 0.300 97 F C 0.317 175.872 175.800 -0.407 0.000 1.085 97 F CA 2.067 59.824 58.000 -0.404 0.000 1.326 97 F CB 0.623 39.284 39.000 -0.565 0.000 1.027 97 F HN -0.661 7.619 8.300 -0.033 0.000 0.497 98 D N -0.527 119.702 120.400 -0.284 0.000 2.433 98 D HA -0.298 4.224 4.640 -0.197 0.000 0.274 98 D C 0.180 176.404 176.300 -0.127 0.000 1.344 98 D CA 0.381 54.274 54.000 -0.179 0.000 0.989 98 D CB 0.407 41.192 40.800 -0.026 0.000 1.116 98 D HN -0.489 7.727 8.370 -0.257 0.000 0.533 99 A N 6.699 129.452 122.820 -0.111 0.000 1.841 99 A HA -0.262 3.998 4.320 -0.099 0.000 0.214 99 A C 1.228 178.801 177.584 -0.019 0.000 1.195 99 A CA 2.338 54.338 52.037 -0.063 0.000 0.611 99 A CB -0.017 18.979 19.000 -0.006 0.000 0.835 99 A HN 0.210 8.301 8.150 -0.099 0.000 0.443 100 N N -1.373 117.324 118.700 -0.006 0.000 2.396 100 N HA -0.178 4.551 4.740 -0.018 0.000 0.180 100 N C 1.088 176.599 175.510 0.002 0.000 1.028 100 N CA 0.743 53.790 53.050 -0.004 0.000 0.893 100 N CB 0.419 38.909 38.487 0.004 0.000 0.967 100 N HN 0.023 8.405 8.380 0.003 0.000 0.440 101 G N -1.009 107.798 108.800 0.010 0.000 2.179 101 G HA2 -0.343 3.707 3.960 0.019 0.000 0.260 101 G HA3 -0.343 3.622 3.960 0.008 0.000 0.260 101 G C 0.218 175.136 174.900 0.030 0.000 0.977 101 G CA 0.475 45.585 45.100 0.017 0.000 0.641 101 G HN 0.151 8.487 8.290 0.004 -0.043 0.533 102 D N 0.721 121.145 120.400 0.039 0.000 2.346 102 D HA -0.007 4.653 4.640 0.034 0.000 0.206 102 D C 1.147 177.486 176.300 0.065 0.000 1.001 102 D CA -0.543 53.483 54.000 0.043 0.000 0.871 102 D CB 0.300 41.122 40.800 0.036 0.000 0.943 102 D HN -0.385 8.066 8.370 0.036 -0.059 0.518 103 G N -0.509 108.353 108.800 0.103 0.000 2.148 103 G HA2 -0.336 3.871 3.960 0.223 0.000 0.157 103 G HA3 -0.336 3.688 3.960 0.106 0.000 0.157 103 G C -2.036 173.006 174.900 0.236 0.000 1.012 103 G CA -0.136 45.061 45.100 0.162 0.000 0.677 103 G HN -0.555 7.988 8.290 0.098 -0.194 0.506 104 V N -0.127 119.912 119.914 0.209 0.000 2.841 104 V HA 0.883 5.417 4.120 0.354 -0.202 0.310 104 V C -2.485 173.711 176.094 0.171 0.000 1.090 104 V CA -1.899 60.536 62.300 0.226 0.000 0.930 104 V CB 3.775 35.688 31.823 0.151 0.000 1.014 104 V HN -0.886 7.608 8.190 0.145 -0.217 0.425 105 I N 4.470 125.155 120.570 0.193 0.000 2.433 105 I HA 0.222 4.468 4.170 0.127 0.000 0.292 105 I C -2.120 174.127 176.117 0.216 0.000 1.001 105 I CA -0.948 60.447 61.300 0.158 0.000 1.119 105 I CB 2.331 40.382 38.000 0.085 0.000 1.289 105 I HN 0.757 9.143 8.210 0.294 0.000 0.438 106 D N 4.558 125.096 120.400 0.231 0.000 2.467 106 D HA 0.410 5.331 4.640 0.214 -0.153 0.245 106 D C -0.168 176.336 176.300 0.341 0.000 1.038 106 D CA -1.773 52.367 54.000 0.233 0.000 1.038 106 D CB 2.435 43.330 40.800 0.159 0.000 1.278 106 D HN -0.291 8.221 8.370 0.236 0.000 0.564 107 F N -1.312 118.702 119.950 0.106 0.000 2.084 107 F HA -0.300 4.244 4.527 0.028 0.000 0.296 107 F C 0.885 176.758 175.800 0.122 0.000 1.111 107 F CA 2.304 60.340 58.000 0.060 0.000 1.224 107 F CB 0.616 39.599 39.000 -0.027 0.000 0.991 107 F HN -0.371 8.113 8.300 0.305 0.000 0.471 108 D N -1.672 118.730 120.400 0.003 0.000 2.144 108 D HA -0.337 4.160 4.640 -0.238 0.000 0.199 108 D C 2.023 178.361 176.300 0.063 0.000 0.984 108 D CA 3.945 57.902 54.000 -0.071 0.000 0.834 108 D CB -0.362 40.410 40.800 -0.047 0.000 0.955 108 D HN -0.359 8.173 8.370 0.123 -0.089 0.465 109 E N -0.002 120.282 120.200 0.140 0.000 2.274 109 E HA -0.194 4.274 4.350 0.197 0.000 0.194 109 E C 1.871 178.648 176.600 0.295 0.000 0.996 109 E CA 1.943 58.458 56.400 0.193 0.000 0.840 109 E CB -0.364 29.404 29.700 0.113 0.000 0.772 109 E HN -0.032 8.808 8.360 0.140 -0.396 0.491 110 F N 1.773 121.845 119.950 0.203 0.000 2.113 110 F HA -0.387 4.419 4.527 0.466 0.000 0.297 110 F C 1.425 177.332 175.800 0.179 0.000 1.103 110 F CA 3.490 61.690 58.000 0.333 0.000 1.248 110 F CB 0.155 39.392 39.000 0.395 0.000 0.999 110 F HN -0.437 8.026 8.300 0.453 0.108 0.475 111 K N -2.312 118.258 120.400 0.283 0.000 2.113 111 K HA -0.431 3.964 4.320 0.126 0.000 0.208 111 K C 1.999 178.665 176.600 0.109 0.000 1.047 111 K CA 2.942 59.293 56.287 0.106 0.000 0.928 111 K CB -0.282 32.169 32.500 -0.080 0.000 0.716 111 K HN -0.438 7.931 8.250 0.199 0.000 0.446 112 F N -0.650 119.303 119.950 0.005 0.000 2.051 112 F HA -0.317 4.191 4.527 -0.032 0.000 0.296 112 F C 1.673 177.436 175.800 -0.062 0.000 1.122 112 F CA 2.627 60.608 58.000 -0.031 0.000 1.201 112 F CB 0.451 39.427 39.000 -0.039 0.000 0.978 112 F HN -0.617 7.768 8.300 0.259 0.070 0.472 113 I N -1.379 119.039 120.570 -0.253 0.000 3.001 113 I HA -0.339 3.458 4.170 -0.622 0.000 0.268 113 I C 0.886 176.799 176.117 -0.340 0.000 1.267 113 I CA 1.356 62.390 61.300 -0.443 0.000 1.472 113 I CB 0.484 38.174 38.000 -0.517 0.000 1.089 113 I HN -0.319 7.916 8.210 0.041 0.000 0.468 114 M N -2.195 117.327 119.600 -0.130 0.000 2.192 114 M HA -0.392 4.145 4.480 0.094 0.000 0.256 114 M C 0.604 176.880 176.300 -0.040 0.000 1.076 114 M CA 2.728 58.033 55.300 0.008 0.000 1.075 114 M CB 0.110 32.776 32.600 0.109 0.000 1.368 114 M HN -0.439 7.744 8.290 -0.065 0.068 0.406 115 Q N -6.566 113.164 119.800 -0.117 0.000 2.010 115 Q HA 0.108 4.401 4.340 -0.078 0.000 0.215 115 Q C -0.200 175.712 176.000 -0.146 0.000 0.697 115 Q CA 0.108 55.849 55.803 -0.104 0.000 0.855 115 Q CB 2.512 31.209 28.738 -0.068 0.000 1.235 115 Q HN 0.164 8.244 8.270 -0.186 0.078 0.442 116 K N -1.452 118.813 120.400 -0.225 0.000 2.283 116 K HA 0.240 4.450 4.320 -0.182 0.000 0.257 116 K C -2.292 174.060 176.600 -0.415 0.000 1.066 116 K CA -1.141 54.993 56.287 -0.255 0.000 0.891 116 K CB 2.315 34.693 32.500 -0.204 0.000 1.438 116 K HN -0.348 7.743 8.250 -0.264 0.000 0.464 117 V N 1.903 121.639 119.914 -0.297 0.000 2.658 117 V HA 0.316 4.132 4.120 -0.507 0.000 0.259 117 V C -0.787 175.259 176.094 -0.079 0.000 0.933 117 V CA -0.232 61.919 62.300 -0.248 0.000 0.871 117 V CB -0.793 30.953 31.823 -0.130 0.000 1.062 117 V HN 0.269 8.345 8.190 -0.190 0.000 0.479 118 G N 6.829 115.611 108.800 -0.029 0.000 1.732 118 G HA2 -0.078 3.937 3.960 0.092 0.000 0.054 118 G HA3 -0.078 3.888 3.960 0.009 0.000 0.054 118 G C -1.205 173.709 174.900 0.024 0.000 0.951 118 G CA -0.236 44.884 45.100 0.034 0.000 1.146 118 G HN 0.045 8.299 8.290 -0.061 0.000 0.353 119 E N 2.661 122.857 120.200 -0.006 0.000 2.371 119 E HA 0.025 4.382 4.350 0.011 0.000 0.257 119 E C -0.895 175.694 176.600 -0.018 0.000 1.134 119 E CA -0.473 55.924 56.400 -0.005 0.000 0.919 119 E CB 0.799 30.494 29.700 -0.008 0.000 1.025 119 E HN 0.161 8.510 8.360 -0.017 0.000 0.438 120 E N 1.428 121.624 120.200 -0.007 0.000 2.200 120 E HA 0.161 4.499 4.350 -0.020 0.000 0.283 120 E C -1.558 175.034 176.600 -0.013 0.000 1.015 120 E CA -2.046 54.348 56.400 -0.010 0.000 0.819 120 E CB 0.484 30.184 29.700 0.001 0.000 1.081 120 E HN 0.360 8.720 8.360 -0.000 0.000 0.397 121 P HA 0.310 4.725 4.420 -0.008 0.000 0.215 121 P C -2.239 175.059 177.300 -0.004 0.000 1.696 121 P CA -0.642 62.450 63.100 -0.012 0.000 1.212 121 P CB 0.111 31.797 31.700 -0.023 0.000 1.976 122 L N -1.573 119.651 121.223 0.003 0.000 2.301 122 L HA 0.513 4.863 4.340 0.017 0.000 0.264 122 L C -1.264 175.617 176.870 0.018 0.000 1.016 122 L CA -1.085 53.762 54.840 0.012 0.000 0.821 122 L CB 1.130 43.195 42.059 0.011 0.000 1.346 122 L HN -0.439 7.791 8.230 0.000 0.000 0.429 123 T N -2.368 112.203 114.554 0.028 0.000 2.937 123 T HA 0.283 4.648 4.350 0.026 0.000 0.297 123 T C -0.060 174.667 174.700 0.045 0.000 0.991 123 T CA -1.460 60.659 62.100 0.032 0.000 0.990 123 T CB 2.344 71.231 68.868 0.032 0.000 0.991 123 T HN -0.435 7.826 8.240 0.035 0.000 0.440 124 D N 4.910 125.336 120.400 0.042 0.000 2.144 124 D HA -0.368 4.308 4.640 0.060 0.000 0.200 124 D C 1.695 178.040 176.300 0.074 0.000 0.978 124 D CA 2.886 56.920 54.000 0.057 0.000 0.833 124 D CB -0.404 40.424 40.800 0.047 0.000 0.961 124 D HN 0.341 8.731 8.370 0.033 0.000 0.470 125 A N 0.108 122.960 122.820 0.055 0.000 1.917 125 A HA -0.320 4.026 4.320 0.044 0.000 0.219 125 A C 1.991 179.607 177.584 0.053 0.000 1.182 125 A CA 3.053 55.118 52.037 0.046 0.000 0.633 125 A CB -0.599 18.421 19.000 0.032 0.000 0.819 125 A HN 0.230 8.407 8.150 0.045 0.000 0.448 126 E N -2.252 117.988 120.200 0.066 0.000 2.051 126 E HA -0.426 3.965 4.350 0.067 0.000 0.192 126 E C 1.897 178.567 176.600 0.118 0.000 0.991 126 E CA 2.623 59.074 56.400 0.084 0.000 0.799 126 E CB -0.757 28.995 29.700 0.088 0.000 0.748 126 E HN -0.544 7.855 8.360 0.064 0.000 0.449 127 V N 1.199 121.202 119.914 0.150 0.000 2.358 127 V HA -0.374 3.920 4.120 0.290 0.000 0.246 127 V C 1.814 177.984 176.094 0.126 0.000 1.047 127 V CA 3.485 65.907 62.300 0.203 0.000 1.035 127 V CB -0.527 31.434 31.823 0.230 0.000 0.658 127 V HN -0.735 7.531 8.190 0.127 0.000 0.452 128 E N -0.331 119.962 120.200 0.154 0.000 2.047 128 E HA -0.357 3.985 4.350 -0.014 0.000 0.191 128 E C 2.419 178.945 176.600 -0.123 0.000 0.987 128 E CA 3.662 60.090 56.400 0.047 0.000 0.799 128 E CB -0.300 29.473 29.700 0.122 0.000 0.752 128 E HN 0.091 8.534 8.360 0.137 0.000 0.449 129 E N -1.146 119.023 120.200 -0.052 0.000 2.058 129 E HA -0.306 3.997 4.350 -0.078 0.000 0.194 129 E C 2.345 178.898 176.600 -0.078 0.000 0.997 129 E CA 2.682 59.047 56.400 -0.058 0.000 0.801 129 E CB -0.556 29.137 29.700 -0.013 0.000 0.746 129 E HN -0.316 8.045 8.360 0.002 0.000 0.450 130 A N 0.575 123.368 122.820 -0.045 0.000 1.883 130 A HA -0.236 4.101 4.320 0.028 0.000 0.217 130 A C 2.297 179.782 177.584 -0.164 0.000 1.186 130 A CA 3.010 55.043 52.037 -0.007 0.000 0.624 130 A CB -0.550 18.567 19.000 0.195 0.000 0.822 130 A HN -0.127 8.022 8.150 -0.002 0.000 0.444 131 M N -2.207 117.063 119.600 -0.550 0.000 2.254 131 M HA -0.274 3.960 4.480 -0.410 0.000 0.265 131 M C 2.130 178.203 176.300 -0.378 0.000 1.066 131 M CA 2.061 56.983 55.300 -0.631 0.000 1.123 131 M CB -0.446 31.565 32.600 -0.982 0.000 1.388 131 M HN -0.364 7.594 8.290 -0.552 0.000 0.425 132 K N -0.887 119.306 120.400 -0.346 0.000 2.026 132 K HA -0.285 3.888 4.320 -0.245 0.000 0.208 132 K C 2.688 179.212 176.600 -0.127 0.000 1.048 132 K CA 3.122 59.272 56.287 -0.229 0.000 0.929 132 K CB -0.248 32.139 32.500 -0.188 0.000 0.713 132 K HN -0.145 7.877 8.250 -0.379 0.000 0.439 133 E N -2.663 117.483 120.200 -0.090 0.000 2.118 133 E HA -0.261 4.065 4.350 -0.039 0.000 0.195 133 E C 1.189 177.785 176.600 -0.006 0.000 0.992 133 E CA 2.250 58.627 56.400 -0.039 0.000 0.804 133 E CB 0.050 29.739 29.700 -0.019 0.000 0.741 133 E HN -0.484 7.811 8.360 -0.108 0.000 0.458 134 A N -3.208 119.622 122.820 0.017 0.000 2.072 134 A HA 0.059 4.454 4.320 0.124 0.000 0.216 134 A C -0.247 177.392 177.584 0.091 0.000 1.156 134 A CA 0.513 52.612 52.037 0.103 0.000 0.701 134 A CB 0.694 19.813 19.000 0.198 0.000 0.816 134 A HN -0.519 7.623 8.150 -0.014 0.000 0.458 135 D N -1.704 118.707 120.400 0.018 0.000 2.316 135 D HA 0.041 4.722 4.640 0.069 0.000 0.245 135 D C 0.637 176.941 176.300 0.007 0.000 1.171 135 D CA -0.200 53.812 54.000 0.020 0.000 0.856 135 D CB 0.666 41.452 40.800 -0.023 0.000 1.090 135 D HN -0.700 7.646 8.370 -0.041 0.000 0.476 136 E N 5.824 126.041 120.200 0.027 0.000 2.230 136 E HA -0.105 4.246 4.350 0.002 0.000 0.192 136 E C 0.681 177.284 176.600 0.005 0.000 0.987 136 E CA 1.766 58.174 56.400 0.013 0.000 0.841 136 E CB 0.456 30.168 29.700 0.020 0.000 0.783 136 E HN -0.065 8.532 8.360 0.054 -0.205 0.481 137 D N -0.938 119.468 120.400 0.009 0.000 2.367 137 D HA -0.039 4.603 4.640 0.003 0.000 0.207 137 D C 0.582 176.881 176.300 -0.003 0.000 1.034 137 D CA 0.406 54.409 54.000 0.006 0.000 0.861 137 D CB 0.670 41.479 40.800 0.015 0.000 0.943 137 D HN -0.444 8.230 8.370 0.015 -0.294 0.515 138 G N -0.648 108.144 108.800 -0.013 0.000 2.179 138 G HA2 -0.431 3.505 3.960 -0.039 0.000 0.260 138 G HA3 -0.431 3.517 3.960 -0.019 0.000 0.260 138 G C 0.592 175.484 174.900 -0.012 0.000 0.977 138 G CA 0.433 45.520 45.100 -0.022 0.000 0.641 138 G HN 0.238 8.689 8.290 -0.016 -0.170 0.533 139 N N 1.357 120.058 118.700 0.002 0.000 2.333 139 N HA -0.068 4.680 4.740 0.013 0.000 0.178 139 N C 1.167 176.691 175.510 0.023 0.000 1.018 139 N CA -0.113 52.946 53.050 0.015 0.000 0.882 139 N CB 0.587 39.090 38.487 0.026 0.000 0.984 139 N HN -0.350 8.086 8.380 0.006 -0.052 0.434 140 G N 0.028 108.838 108.800 0.017 0.000 2.131 140 G HA2 -0.349 3.603 3.960 -0.014 0.000 0.201 140 G HA3 -0.349 3.644 3.960 0.055 0.000 0.201 140 G C -2.396 172.556 174.900 0.087 0.000 1.000 140 G CA 0.088 45.209 45.100 0.036 0.000 0.680 140 G HN 0.011 8.579 8.290 0.007 -0.274 0.514 141 V N -2.574 117.393 119.914 0.088 0.000 3.049 141 V HA 0.928 5.333 4.120 0.151 -0.195 0.309 141 V C -1.291 174.885 176.094 0.136 0.000 1.148 141 V CA -2.427 59.946 62.300 0.121 0.000 0.990 141 V CB 3.374 35.261 31.823 0.106 0.000 1.039 141 V HN -0.856 7.569 8.190 0.064 -0.196 0.430 142 I N 0.848 121.536 120.570 0.196 0.000 2.607 142 I HA 0.282 4.745 4.170 0.191 -0.178 0.290 142 I C -1.631 174.691 176.117 0.341 0.000 1.129 142 I CA -1.381 60.077 61.300 0.262 0.000 1.042 142 I CB 3.720 41.936 38.000 0.361 0.000 1.242 142 I HN 0.711 9.045 8.210 0.205 0.000 0.421 143 D N 3.658 124.174 120.400 0.194 0.000 2.326 143 D HA 0.680 5.611 4.640 0.172 -0.188 0.251 143 D C 1.197 177.290 176.300 -0.344 0.000 1.023 143 D CA -2.521 51.503 54.000 0.041 0.000 0.966 143 D CB 2.007 42.813 40.800 0.010 0.000 1.156 143 D HN -0.346 8.247 8.370 0.140 -0.139 0.494 144 I N -1.489 118.600 120.570 -0.803 0.000 2.208 144 I HA -0.344 2.554 4.170 -2.120 0.000 0.245 144 I C -0.453 175.468 176.117 -0.327 0.000 1.097 144 I CA 6.011 66.687 61.300 -1.041 0.000 1.363 144 I CB -2.316 35.249 38.000 -0.726 0.000 1.051 144 I HN 0.055 7.922 8.210 -0.572 0.000 0.413 145 P HA -0.324 4.070 4.420 -0.043 0.000 0.217 145 P C 1.780 179.074 177.300 -0.010 0.000 1.151 145 P CA 3.112 66.177 63.100 -0.057 0.000 0.849 145 P CB -0.613 31.061 31.700 -0.043 0.000 0.787 146 E N -1.597 118.610 120.200 0.013 0.000 2.007 146 E HA -0.331 4.185 4.350 0.035 -0.145 0.194 146 E C 2.007 178.672 176.600 0.108 0.000 0.999 146 E CA 2.737 59.174 56.400 0.061 0.000 0.811 146 E CB -0.093 29.662 29.700 0.092 0.000 0.762 146 E HN -0.826 7.733 8.360 -0.012 -0.206 0.450 147 F N 0.562 120.519 119.950 0.011 0.000 2.063 147 F HA -0.490 4.089 4.527 0.087 0.000 0.298 147 F C 1.520 177.332 175.800 0.019 0.000 1.109 147 F CA 3.573 61.612 58.000 0.064 0.000 1.212 147 F CB 0.077 39.203 39.000 0.211 0.000 0.973 147 F HN -1.018 7.439 8.300 0.260 0.000 0.480 148 M N -3.797 115.826 119.600 0.038 0.000 2.213 148 M HA -0.443 3.873 4.480 -0.273 0.000 0.263 148 M C 1.808 178.050 176.300 -0.097 0.000 1.062 148 M CA 3.804 59.051 55.300 -0.088 0.000 1.105 148 M CB -0.763 31.853 32.600 0.026 0.000 1.385 148 M HN -0.217 8.209 8.290 0.228 0.000 0.417 149 D N 0.633 121.002 120.400 -0.052 0.000 2.097 149 D HA -0.199 4.413 4.640 -0.047 0.000 0.197 149 D C 2.392 178.652 176.300 -0.066 0.000 0.984 149 D CA 4.000 57.971 54.000 -0.047 0.000 0.826 149 D CB 0.454 41.241 40.800 -0.023 0.000 0.973 149 D HN -0.544 7.723 8.370 -0.019 0.091 0.460 150 L N -3.612 117.567 121.223 -0.073 0.000 2.201 150 L HA -0.146 4.159 4.340 -0.058 0.000 0.212 150 L C 1.327 178.121 176.870 -0.126 0.000 1.105 150 L CA 3.323 58.115 54.840 -0.080 0.000 0.775 150 L CB -1.039 40.990 42.059 -0.050 0.000 0.913 150 L HN -0.283 7.909 8.230 -0.064 0.000 0.440 151 I N -1.522 118.924 120.570 -0.207 0.000 2.364 151 I HA -0.188 3.884 4.170 -0.162 0.000 0.241 151 I C 1.847 177.883 176.117 -0.135 0.000 1.082 151 I CA 2.698 63.872 61.300 -0.210 0.000 1.401 151 I CB 0.485 38.273 38.000 -0.353 0.000 1.126 151 I HN -0.176 7.866 8.210 -0.280 0.000 0.429 152 K N 0.517 120.842 120.400 -0.125 0.000 2.525 152 K HA -0.160 4.120 4.320 -0.067 0.000 0.192 152 K C 0.884 177.452 176.600 -0.053 0.000 1.029 152 K CA 1.051 57.293 56.287 -0.076 0.000 1.029 152 K CB -0.363 32.098 32.500 -0.066 0.000 0.814 152 K HN -0.132 7.917 8.250 -0.155 0.108 0.503 153 K N -0.901 119.468 120.400 -0.052 0.000 2.144 153 K HA -0.297 4.004 4.320 -0.032 0.000 0.209 153 K C 0.753 177.336 176.600 -0.029 0.000 1.047 153 K CA 2.224 58.489 56.287 -0.036 0.000 0.927 153 K CB -0.159 32.321 32.500 -0.035 0.000 0.716 153 K HN -0.282 7.929 8.250 -0.064 0.000 0.454 154 S N 0.000 115.682 115.700 -0.030 0.000 0.000 154 S HA 0.000 4.458 4.470 -0.020 0.000 0.000 154 S CA 0.000 58.186 58.200 -0.023 0.000 0.000 154 S CB 0.000 63.186 63.200 -0.023 0.000 0.000 154 S HN 0.000 8.253 8.310 -0.037 0.035 0.000