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 1c7v_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 4.337 4.350 -0.021 0.000 0.291 87 E C 0.000 176.609 176.600 0.014 0.000 1.382 87 E CA 0.000 56.394 56.400 -0.009 0.000 0.976 87 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 88 E N 0.967 121.178 120.200 0.019 0.000 2.058 88 E HA -0.278 4.095 4.350 0.037 0.000 0.194 88 E C 2.026 178.657 176.600 0.051 0.000 0.997 88 E CA 3.072 59.492 56.400 0.033 0.000 0.801 88 E CB -0.093 29.623 29.700 0.026 0.000 0.746 88 E HN 0.153 8.520 8.360 0.011 0.000 0.450 89 E N -1.559 118.670 120.200 0.048 0.000 2.077 89 E HA -0.209 4.182 4.350 0.068 0.000 0.193 89 E C 2.452 179.120 176.600 0.114 0.000 0.989 89 E CA 2.627 59.068 56.400 0.068 0.000 0.800 89 E CB -0.714 29.017 29.700 0.052 0.000 0.746 89 E HN 0.329 8.709 8.360 0.033 0.000 0.452 90 I N -0.544 120.091 120.570 0.108 0.000 2.202 90 I HA -0.302 4.057 4.170 0.315 0.000 0.242 90 I C 2.199 178.486 176.117 0.284 0.000 1.091 90 I CA 2.717 64.132 61.300 0.191 0.000 1.368 90 I CB -0.614 37.372 38.000 -0.022 0.000 1.058 90 I HN -0.353 7.892 8.210 0.057 0.000 0.410 91 L N -1.540 119.785 121.223 0.169 0.000 2.083 91 L HA -0.324 4.157 4.340 0.236 0.000 0.209 91 L C 1.843 178.825 176.870 0.186 0.000 1.083 91 L CA 3.895 58.842 54.840 0.177 0.000 0.752 91 L CB -1.137 40.979 42.059 0.095 0.000 0.899 91 L HN -0.063 8.227 8.230 0.101 0.000 0.433 92 R N -0.404 120.180 120.500 0.140 0.000 2.082 92 R HA -0.489 3.908 4.340 0.095 0.000 0.234 92 R C 2.202 178.580 176.300 0.130 0.000 1.136 92 R CA 3.553 59.719 56.100 0.112 0.000 0.935 92 R CB -0.491 29.857 30.300 0.080 0.000 0.842 92 R HN 0.002 8.347 8.270 0.125 0.000 0.430 93 A N -0.852 122.064 122.820 0.159 0.000 1.851 93 A HA -0.251 4.127 4.320 0.095 0.000 0.216 93 A C 2.078 179.738 177.584 0.127 0.000 1.195 93 A CA 2.926 55.048 52.037 0.142 0.000 0.622 93 A CB -0.740 18.361 19.000 0.168 0.000 0.831 93 A HN -0.253 8.002 8.150 0.174 0.000 0.444 94 F N -1.132 118.867 119.950 0.082 0.000 2.095 94 F HA -0.430 3.997 4.527 -0.166 0.000 0.298 94 F C 1.654 177.498 175.800 0.073 0.000 1.104 94 F CA 3.617 61.617 58.000 -0.000 0.000 1.232 94 F CB 0.257 39.326 39.000 0.115 0.000 0.987 94 F HN -0.051 8.511 8.300 0.436 0.000 0.475 95 K N -2.859 117.734 120.400 0.322 0.000 2.097 95 K HA -0.355 4.133 4.320 0.281 0.000 0.206 95 K C 1.722 178.362 176.600 0.068 0.000 1.049 95 K CA 3.274 59.689 56.287 0.212 0.000 0.933 95 K CB -0.085 32.523 32.500 0.180 0.000 0.717 95 K HN -0.410 8.045 8.250 0.341 0.000 0.442 96 V N -2.118 117.813 119.914 0.027 0.000 2.358 96 V HA -0.338 3.757 4.120 -0.042 0.000 0.246 96 V C 1.398 177.394 176.094 -0.164 0.000 1.047 96 V CA 2.771 65.039 62.300 -0.053 0.000 1.035 96 V CB -0.191 31.594 31.823 -0.064 0.000 0.658 96 V HN -0.430 7.798 8.190 0.063 0.000 0.452 97 F N -1.530 118.255 119.950 -0.274 0.000 2.126 97 F HA -0.364 3.952 4.527 -0.352 0.000 0.299 97 F C -0.004 175.570 175.800 -0.378 0.000 1.096 97 F CA 2.402 60.145 58.000 -0.428 0.000 1.255 97 F CB 0.617 39.197 39.000 -0.700 0.000 0.997 97 F HN -0.675 7.536 8.300 -0.023 0.075 0.479 98 D N -1.115 119.164 120.400 -0.201 0.000 2.363 98 D HA -0.196 4.408 4.640 -0.060 0.000 0.263 98 D C 0.656 176.924 176.300 -0.054 0.000 1.258 98 D CA 0.200 54.154 54.000 -0.077 0.000 0.907 98 D CB 0.214 41.058 40.800 0.074 0.000 1.107 98 D HN -0.437 7.815 8.370 -0.197 0.000 0.495 99 A N 9.194 131.987 122.820 -0.045 0.000 2.958 99 A HA -0.161 4.130 4.320 -0.048 0.000 0.247 99 A C -1.114 176.466 177.584 -0.005 0.000 1.679 99 A CA -0.323 51.696 52.037 -0.031 0.000 1.345 99 A CB -2.039 16.950 19.000 -0.018 0.000 1.013 99 A HN 0.086 8.521 8.150 -0.031 -0.304 0.641 100 N N -1.177 117.527 118.700 0.007 0.000 1.980 100 N HA -0.334 4.423 4.740 0.029 0.000 0.214 100 N C 1.792 177.330 175.510 0.046 0.000 0.464 100 N CA 1.956 55.020 53.050 0.024 0.000 4.270 100 N CB -1.419 37.076 38.487 0.014 0.000 0.738 100 N HN 0.045 8.260 8.380 0.003 0.167 0.226 101 G N 2.070 110.896 108.800 0.043 0.000 2.424 101 G HA2 -0.421 3.568 3.960 0.049 0.000 0.323 101 G HA3 -0.421 3.863 3.960 0.077 -0.278 0.323 101 G C -0.547 174.397 174.900 0.074 0.000 0.949 101 G CA 1.410 46.547 45.100 0.062 0.000 0.769 101 G HN 0.189 8.495 8.290 0.040 0.008 0.512 102 D N -2.537 117.902 120.400 0.064 0.000 3.077 102 D HA -0.441 4.231 4.640 0.054 0.000 0.217 102 D C 0.477 176.829 176.300 0.087 0.000 1.162 102 D CA 0.661 54.700 54.000 0.064 0.000 0.943 102 D CB -1.807 39.024 40.800 0.052 0.000 1.122 102 D HN -0.099 8.336 8.370 0.059 -0.029 0.413 103 G N -4.577 104.298 108.800 0.125 0.000 2.195 103 G HA2 -0.474 3.786 3.960 0.226 0.000 0.224 103 G HA3 -0.474 3.570 3.960 0.140 0.000 0.224 103 G C -1.562 173.503 174.900 0.276 0.000 0.990 103 G CA -0.040 45.172 45.100 0.186 0.000 0.639 103 G HN -0.198 8.308 8.290 0.119 -0.144 0.514 104 V N 1.577 121.617 119.914 0.211 0.000 2.532 104 V HA 0.511 5.024 4.120 0.337 -0.191 0.295 104 V C -1.734 174.482 176.094 0.204 0.000 1.041 104 V CA -1.850 60.592 62.300 0.236 0.000 0.926 104 V CB 2.112 34.032 31.823 0.161 0.000 0.992 104 V HN -0.592 7.612 8.190 0.150 0.076 0.457 105 I N 6.666 127.375 120.570 0.232 0.000 2.378 105 I HA 0.292 4.763 4.170 0.131 -0.223 0.291 105 I C -1.521 174.728 176.117 0.220 0.000 0.992 105 I CA -1.205 60.199 61.300 0.174 0.000 1.154 105 I CB 2.157 40.215 38.000 0.096 0.000 1.315 105 I HN 0.808 9.106 8.210 0.332 0.111 0.448 106 D N 7.050 127.575 120.400 0.210 0.000 2.569 106 D HA 0.076 4.841 4.640 0.208 0.000 0.266 106 D C 0.487 176.967 176.300 0.299 0.000 1.164 106 D CA -1.729 52.400 54.000 0.215 0.000 1.071 106 D CB 1.589 42.478 40.800 0.148 0.000 1.183 106 D HN -0.081 8.401 8.370 0.187 0.000 0.613 107 F N -0.795 119.209 119.950 0.091 0.000 2.128 107 F HA -0.012 4.535 4.527 0.033 0.000 0.295 107 F C 1.223 177.086 175.800 0.104 0.000 1.100 107 F CA 2.244 60.280 58.000 0.059 0.000 1.260 107 F CB 0.869 39.870 39.000 0.002 0.000 1.009 107 F HN 0.147 8.626 8.300 0.297 0.000 0.476 108 D N 0.088 120.431 120.400 -0.095 0.000 2.117 108 D HA -0.350 4.093 4.640 -0.329 0.000 0.197 108 D C 2.388 178.690 176.300 0.004 0.000 0.987 108 D CA 3.684 57.593 54.000 -0.151 0.000 0.829 108 D CB -0.405 40.335 40.800 -0.100 0.000 0.961 108 D HN -0.471 8.036 8.370 0.064 -0.098 0.460 109 E N -0.007 120.242 120.200 0.082 0.000 2.097 109 E HA -0.371 4.049 4.350 0.117 0.000 0.196 109 E C 2.305 179.015 176.600 0.184 0.000 1.000 109 E CA 2.812 59.287 56.400 0.125 0.000 0.804 109 E CB -0.121 29.643 29.700 0.107 0.000 0.740 109 E HN 0.276 9.116 8.360 0.079 -0.433 0.454 110 F N 0.501 120.523 119.950 0.120 0.000 2.113 110 F HA -0.312 4.415 4.527 0.335 0.000 0.297 110 F C 1.410 177.271 175.800 0.102 0.000 1.103 110 F CA 2.759 60.916 58.000 0.261 0.000 1.248 110 F CB 0.304 39.509 39.000 0.342 0.000 0.999 110 F HN -0.682 7.854 8.300 0.393 0.000 0.475 111 K N -1.735 118.783 120.400 0.196 0.000 2.360 111 K HA -0.363 4.006 4.320 0.082 0.000 0.201 111 K C 1.140 177.771 176.600 0.052 0.000 1.046 111 K CA 2.839 59.135 56.287 0.015 0.000 0.940 111 K CB -0.249 32.052 32.500 -0.331 0.000 0.748 111 K HN -0.074 8.245 8.250 0.115 0.000 0.465 112 F N -1.878 118.035 119.950 -0.060 0.000 2.243 112 F HA -0.013 4.470 4.527 -0.074 0.000 0.287 112 F C 0.849 176.586 175.800 -0.106 0.000 1.067 112 F CA 2.105 60.055 58.000 -0.083 0.000 1.304 112 F CB 1.648 40.591 39.000 -0.096 0.000 1.087 112 F HN -0.490 7.902 8.300 0.184 0.018 0.513 113 I N 0.023 120.359 120.570 -0.390 0.000 2.761 113 I HA -0.437 3.292 4.170 -0.736 0.000 0.261 113 I C 1.371 177.209 176.117 -0.466 0.000 1.198 113 I CA 2.125 63.083 61.300 -0.570 0.000 1.482 113 I CB 0.446 38.083 38.000 -0.605 0.000 1.100 113 I HN -0.192 7.968 8.210 -0.084 0.000 0.445 114 M N 0.070 119.555 119.600 -0.193 0.000 2.151 114 M HA -0.383 4.186 4.480 0.148 0.000 0.256 114 M C -0.152 176.123 176.300 -0.041 0.000 1.072 114 M CA 3.389 58.718 55.300 0.049 0.000 1.090 114 M CB 0.203 32.958 32.600 0.258 0.000 1.294 114 M HN -0.608 7.618 8.290 -0.107 0.000 0.415 115 Q N -2.074 117.670 119.800 -0.093 0.000 2.566 115 Q HA 0.097 4.398 4.340 -0.066 0.000 0.221 115 Q C -0.513 175.369 176.000 -0.197 0.000 1.195 115 Q CA -1.534 54.206 55.803 -0.104 0.000 0.967 115 Q CB -1.745 26.948 28.738 -0.075 0.000 1.337 115 Q HN 0.023 8.233 8.270 -0.099 0.000 0.553 116 K N 0.594 120.879 120.400 -0.191 0.000 2.277 116 K HA -0.341 3.894 4.320 -0.304 -0.097 0.206 116 K C 1.020 177.491 176.600 -0.214 0.000 1.044 116 K CA 1.804 57.958 56.287 -0.222 0.000 0.932 116 K CB -0.580 31.830 32.500 -0.150 0.000 0.726 116 K HN -0.188 7.921 8.250 -0.141 0.056 0.473 117 V N 1.208 121.022 119.914 -0.168 0.000 2.299 117 V HA 0.013 4.058 4.120 -0.125 0.000 0.255 117 V C 0.829 176.825 176.094 -0.164 0.000 1.100 117 V CA -0.837 61.382 62.300 -0.134 0.000 0.938 117 V CB -2.413 29.360 31.823 -0.083 0.000 1.139 117 V HN -0.779 7.430 8.190 -0.143 -0.105 0.490 118 G N 9.682 118.360 108.800 -0.204 0.000 2.566 118 G HA2 -0.335 3.544 3.960 -0.136 0.000 0.280 118 G HA3 -0.335 3.582 3.960 -0.073 0.000 0.280 118 G C -0.446 174.237 174.900 -0.362 0.000 1.225 118 G CA 0.280 45.266 45.100 -0.191 0.000 0.966 118 G HN -0.421 7.755 8.290 -0.191 0.000 0.560 119 E N 0.588 120.724 120.200 -0.108 0.000 2.422 119 E HA -0.022 4.238 4.350 -0.150 0.000 0.267 119 E C -0.424 176.138 176.600 -0.064 0.000 1.466 119 E CA -0.448 55.926 56.400 -0.043 0.000 1.767 119 E CB -0.946 28.850 29.700 0.160 0.000 1.471 119 E HN 0.245 8.612 8.360 0.012 0.000 0.446 120 E N 0.355 120.480 120.200 -0.124 0.000 2.358 120 E HA 0.074 4.395 4.350 -0.049 0.000 0.195 120 E C -1.590 174.977 176.600 -0.055 0.000 1.010 120 E CA 0.459 56.811 56.400 -0.080 0.000 0.856 120 E CB -0.698 28.946 29.700 -0.093 0.000 0.795 120 E HN -0.609 7.521 8.360 -0.194 0.114 0.504 121 P HA -0.148 4.273 4.420 0.000 0.000 0.252 121 P C -0.433 176.869 177.300 0.003 0.000 1.183 121 P CA 0.599 63.693 63.100 -0.011 0.000 0.973 121 P CB -0.659 31.042 31.700 0.002 0.000 0.990 122 L N 4.667 125.895 121.223 0.008 0.000 2.007 122 L HA -0.070 4.275 4.340 0.007 0.000 0.205 122 L C 0.002 176.884 176.870 0.020 0.000 1.073 122 L CA 1.798 56.644 54.840 0.011 0.000 0.744 122 L CB -1.181 40.882 42.059 0.006 0.000 0.898 122 L HN -0.096 8.135 8.230 0.003 0.000 0.435 123 T N -3.683 110.888 114.554 0.029 0.000 2.779 123 T HA 0.187 4.556 4.350 0.032 0.000 0.280 123 T C 0.010 174.741 174.700 0.052 0.000 0.987 123 T CA -1.107 61.015 62.100 0.035 0.000 0.966 123 T CB 2.014 70.901 68.868 0.032 0.000 0.933 123 T HN -0.588 7.671 8.240 0.032 0.000 0.442 124 D N 6.669 127.105 120.400 0.060 0.000 2.178 124 D HA -0.223 4.478 4.640 0.101 0.000 0.202 124 D C 1.563 177.935 176.300 0.120 0.000 0.974 124 D CA 3.202 57.262 54.000 0.100 0.000 0.841 124 D CB -0.071 40.793 40.800 0.107 0.000 0.953 124 D HN 0.709 9.109 8.370 0.050 0.000 0.478 125 A N -0.555 122.309 122.820 0.074 0.000 1.940 125 A HA -0.319 4.024 4.320 0.037 0.000 0.219 125 A C 1.861 179.463 177.584 0.030 0.000 1.176 125 A CA 2.864 54.926 52.037 0.043 0.000 0.631 125 A CB -0.599 18.417 19.000 0.027 0.000 0.814 125 A HN 0.271 8.458 8.150 0.061 0.000 0.446 126 E N -1.859 118.366 120.200 0.041 0.000 2.058 126 E HA -0.336 4.029 4.350 0.026 0.000 0.194 126 E C 2.409 179.033 176.600 0.040 0.000 0.997 126 E CA 2.939 59.363 56.400 0.040 0.000 0.801 126 E CB -0.488 29.243 29.700 0.051 0.000 0.746 126 E HN -0.275 8.114 8.360 0.048 0.000 0.450 127 V N -0.001 119.956 119.914 0.072 0.000 2.261 127 V HA -0.396 3.765 4.120 0.069 0.000 0.246 127 V C 2.291 178.345 176.094 -0.066 0.000 1.047 127 V CA 3.959 66.296 62.300 0.061 0.000 1.015 127 V CB -0.517 31.408 31.823 0.169 0.000 0.642 127 V HN -0.705 7.537 8.190 0.087 0.000 0.446 128 E N -0.774 119.455 120.200 0.048 0.000 2.085 128 E HA -0.407 3.714 4.350 -0.381 0.000 0.194 128 E C 2.596 179.057 176.600 -0.232 0.000 0.994 128 E CA 3.473 59.758 56.400 -0.192 0.000 0.801 128 E CB -0.307 29.285 29.700 -0.179 0.000 0.743 128 E HN 0.086 8.533 8.360 0.145 0.000 0.453 129 E N -1.208 118.917 120.200 -0.125 0.000 2.031 129 E HA -0.288 3.996 4.350 -0.110 0.000 0.193 129 E C 2.306 178.844 176.600 -0.103 0.000 0.994 129 E CA 2.734 59.075 56.400 -0.098 0.000 0.800 129 E CB -0.447 29.224 29.700 -0.048 0.000 0.752 129 E HN -0.329 7.988 8.360 -0.071 0.000 0.447 130 A N -0.542 122.221 122.820 -0.095 0.000 1.877 130 A HA -0.262 4.187 4.320 -0.014 -0.137 0.216 130 A C 2.249 179.745 177.584 -0.147 0.000 1.186 130 A CA 3.107 55.106 52.037 -0.064 0.000 0.620 130 A CB -0.786 18.232 19.000 0.030 0.000 0.822 130 A HN -0.208 7.896 8.150 -0.077 0.000 0.443 131 M N -1.673 117.667 119.600 -0.433 0.000 2.156 131 M HA -0.340 4.007 4.480 -0.223 0.000 0.264 131 M C 1.613 177.792 176.300 -0.202 0.000 1.067 131 M CA 3.469 58.503 55.300 -0.443 0.000 1.131 131 M CB 0.101 32.207 32.600 -0.823 0.000 1.368 131 M HN -0.215 7.785 8.290 -0.484 0.000 0.416 132 K N -0.701 119.565 120.400 -0.224 0.000 2.063 132 K HA -0.414 3.821 4.320 -0.142 0.000 0.208 132 K C 1.800 178.354 176.600 -0.077 0.000 1.048 132 K CA 3.333 59.528 56.287 -0.153 0.000 0.928 132 K CB 0.006 32.395 32.500 -0.185 0.000 0.713 132 K HN -0.200 7.876 8.250 -0.289 0.000 0.442 133 E N -3.690 116.476 120.200 -0.058 0.000 2.150 133 E HA -0.182 4.159 4.350 -0.016 0.000 0.193 133 E C 1.479 178.094 176.600 0.024 0.000 0.985 133 E CA 2.040 58.431 56.400 -0.014 0.000 0.814 133 E CB -0.030 29.666 29.700 -0.007 0.000 0.752 133 E HN -0.457 7.854 8.360 -0.081 0.000 0.466 134 A N -1.145 121.702 122.820 0.046 0.000 2.072 134 A HA -0.001 4.397 4.320 0.130 0.000 0.216 134 A C 0.076 177.731 177.584 0.118 0.000 1.156 134 A CA 0.732 52.840 52.037 0.119 0.000 0.701 134 A CB 0.414 19.527 19.000 0.189 0.000 0.816 134 A HN -0.444 7.714 8.150 0.014 0.000 0.458 135 D N -1.610 118.834 120.400 0.072 0.000 2.352 135 D HA -0.047 4.657 4.640 0.106 0.000 0.245 135 D C 0.468 176.793 176.300 0.042 0.000 1.224 135 D CA -0.068 53.974 54.000 0.070 0.000 0.879 135 D CB 0.085 40.914 40.800 0.050 0.000 1.057 135 D HN -0.564 7.826 8.370 0.032 0.000 0.491 136 E N 6.016 126.243 120.200 0.046 0.000 2.216 136 E HA -0.171 4.190 4.350 0.019 0.000 0.192 136 E C -0.178 176.432 176.600 0.018 0.000 0.988 136 E CA 1.894 58.309 56.400 0.026 0.000 0.834 136 E CB 0.753 30.468 29.700 0.025 0.000 0.772 136 E HN 0.515 9.268 8.360 0.063 -0.356 0.479 137 D N -3.250 117.164 120.400 0.023 0.000 2.168 137 D HA -0.022 4.625 4.640 0.012 0.000 0.075 137 D C -0.165 176.151 176.300 0.027 0.000 1.480 137 D CA 1.243 55.254 54.000 0.018 0.000 1.128 137 D CB 0.409 41.217 40.800 0.012 0.000 2.785 137 D HN -0.454 8.131 8.370 0.033 -0.195 0.205 138 G N 1.809 110.629 108.800 0.033 0.000 2.468 138 G HA2 -0.488 3.496 3.960 0.040 0.000 0.311 138 G HA3 -0.488 3.574 3.960 0.059 -0.066 0.311 138 G C 0.572 175.500 174.900 0.046 0.000 0.942 138 G CA 1.195 46.322 45.100 0.045 0.000 0.893 138 G HN 0.305 8.612 8.290 0.027 0.000 0.513 139 N N -2.393 116.327 118.700 0.034 0.000 2.900 139 N HA -0.505 4.250 4.740 0.025 0.000 0.240 139 N C 0.218 175.749 175.510 0.035 0.000 0.953 139 N CA 1.511 54.581 53.050 0.033 0.000 0.950 139 N CB -0.997 37.513 38.487 0.037 0.000 1.102 139 N HN -0.505 8.040 8.380 0.028 -0.148 0.593 140 G N -1.024 107.799 108.800 0.038 0.000 2.259 140 G HA2 -0.368 3.736 3.960 0.015 0.000 0.217 140 G HA3 -0.368 3.607 3.960 0.026 0.000 0.217 140 G C -1.237 173.700 174.900 0.061 0.000 1.001 140 G CA 0.011 45.131 45.100 0.033 0.000 0.627 140 G HN 0.144 8.467 8.290 0.040 -0.008 0.501 141 V N -2.689 117.277 119.914 0.088 0.000 2.495 141 V HA 0.408 4.666 4.120 0.146 -0.051 0.298 141 V C -0.829 175.357 176.094 0.154 0.000 1.031 141 V CA -1.760 60.618 62.300 0.129 0.000 0.871 141 V CB 2.609 34.508 31.823 0.127 0.000 0.988 141 V HN -0.854 7.493 8.190 0.077 -0.112 0.432 142 I N 4.133 124.832 120.570 0.214 0.000 2.471 142 I HA 0.044 4.336 4.170 0.203 0.000 0.286 142 I C -0.500 175.829 176.117 0.354 0.000 1.079 142 I CA 0.081 61.549 61.300 0.279 0.000 1.398 142 I CB -0.148 38.085 38.000 0.389 0.000 1.403 142 I HN 0.575 8.924 8.210 0.231 0.000 0.530 143 D N 5.135 125.656 120.400 0.202 0.000 2.294 143 D HA 0.238 5.135 4.640 0.192 -0.142 0.250 143 D C 1.023 177.194 176.300 -0.216 0.000 1.058 143 D CA -1.394 52.663 54.000 0.096 0.000 0.950 143 D CB 1.330 42.155 40.800 0.041 0.000 1.158 143 D HN -0.213 8.246 8.370 0.147 0.000 0.453 144 I N -0.998 119.267 120.570 -0.510 0.000 2.163 144 I HA -0.374 2.157 4.170 -2.732 0.000 0.243 144 I C -0.444 175.365 176.117 -0.512 0.000 1.085 144 I CA 5.218 65.867 61.300 -1.086 0.000 1.347 144 I CB -2.386 35.275 38.000 -0.564 0.000 1.044 144 I HN -0.439 7.658 8.210 -0.188 0.000 0.408 145 P HA -0.295 4.043 4.420 -0.137 0.000 0.217 145 P C 1.501 178.738 177.300 -0.104 0.000 1.148 145 P CA 2.736 65.753 63.100 -0.139 0.000 0.828 145 P CB -0.730 30.920 31.700 -0.084 0.000 0.783 146 E N -1.966 118.190 120.200 -0.072 0.000 2.007 146 E HA -0.349 3.995 4.350 -0.010 0.000 0.194 146 E C 1.669 178.294 176.600 0.041 0.000 0.999 146 E CA 3.405 59.806 56.400 0.002 0.000 0.811 146 E CB -0.323 29.409 29.700 0.054 0.000 0.762 146 E HN -0.692 7.776 8.360 -0.093 -0.164 0.450 147 F N -0.079 119.845 119.950 -0.044 0.000 2.065 147 F HA -0.420 4.141 4.527 0.056 0.000 0.298 147 F C 1.645 177.439 175.800 -0.009 0.000 1.112 147 F CA 3.533 61.551 58.000 0.029 0.000 1.212 147 F CB -0.094 39.025 39.000 0.197 0.000 0.975 147 F HN -0.965 7.429 8.300 0.157 0.000 0.476 148 M N -3.084 116.317 119.600 -0.332 0.000 2.099 148 M HA -0.420 3.669 4.480 -0.652 0.000 0.262 148 M C 1.616 177.771 176.300 -0.241 0.000 1.067 148 M CA 3.951 59.019 55.300 -0.386 0.000 1.124 148 M CB -0.588 31.881 32.600 -0.219 0.000 1.353 148 M HN -0.699 7.519 8.290 -0.120 0.000 0.410 149 D N 0.339 120.651 120.400 -0.148 0.000 2.218 149 D HA -0.249 4.390 4.640 -0.102 -0.061 0.204 149 D C 2.870 179.111 176.300 -0.098 0.000 0.976 149 D CA 3.855 57.793 54.000 -0.103 0.000 0.853 149 D CB 0.055 40.814 40.800 -0.069 0.000 0.939 149 D HN -0.200 8.093 8.370 -0.129 0.000 0.481 150 L N -1.305 119.858 121.223 -0.101 0.000 2.042 150 L HA -0.330 3.983 4.340 -0.046 0.000 0.210 150 L C 0.468 177.272 176.870 -0.110 0.000 1.076 150 L CA 2.814 57.609 54.840 -0.076 0.000 0.749 150 L CB 0.131 42.175 42.059 -0.026 0.000 0.893 150 L HN -0.282 7.876 8.230 -0.101 0.011 0.432 151 I N -3.602 116.850 120.570 -0.197 0.000 2.522 151 I HA -0.152 3.948 4.170 -0.116 0.000 0.240 151 I C 1.752 177.792 176.117 -0.129 0.000 1.078 151 I CA 1.872 63.068 61.300 -0.174 0.000 1.422 151 I CB 0.667 38.514 38.000 -0.255 0.000 1.188 151 I HN -0.637 7.393 8.210 -0.299 0.000 0.442 152 K N -0.094 120.216 120.400 -0.149 0.000 2.589 152 K HA -0.078 4.191 4.320 -0.084 0.000 0.192 152 K C 1.685 178.238 176.600 -0.078 0.000 1.029 152 K CA 0.348 56.572 56.287 -0.105 0.000 1.031 152 K CB -0.232 32.197 32.500 -0.118 0.000 0.821 152 K HN 0.243 8.366 8.250 -0.210 0.000 0.502 153 K N -1.804 118.553 120.400 -0.072 0.000 2.592 153 K HA -0.352 4.125 4.320 -0.059 -0.192 0.196 153 K C 0.022 176.597 176.600 -0.041 0.000 1.034 153 K CA 1.959 58.214 56.287 -0.054 0.000 0.923 153 K CB -1.086 31.387 32.500 -0.045 0.000 0.791 153 K HN -0.034 8.033 8.250 -0.084 0.132 0.530 154 S N 0.000 115.676 115.700 -0.040 0.000 0.000 154 S HA 0.000 4.453 4.470 -0.028 0.000 0.000 154 S CA 0.000 58.181 58.200 -0.031 0.000 0.000 154 S CB 0.000 63.184 63.200 -0.027 0.000 0.000 154 S HN 0.000 8.113 8.310 -0.048 0.168 0.000