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 1c17_1_M DATA FIRST_RESID 95 DATA SEQUENCE HGKSKLIAPL ALTIFVWVFL MNLMDLLPID LLPYIAEHVL GLPALRVVPS DATA SEQUENCE ADVNVTLSMA LGVFILILFY SIKMKXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXSLLSKP VSLGLRLFGN MYAGELIFIL IAGLLPWWSQ WILNVPWAIF DATA SEQUENCE HILIITLQAF IFMVLTIVYL S 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 95 H HA 0.000 4.570 4.556 0.024 0.000 0.296 95 H C 0.000 175.344 175.328 0.027 0.000 0.993 95 H CA 0.000 56.065 56.048 0.029 0.000 1.023 95 H CB 0.000 29.778 29.762 0.027 0.000 1.292 96 G N 1.350 110.262 108.800 0.187 0.000 2.417 96 G HA2 0.293 4.302 3.960 0.083 0.000 0.320 96 G HA3 0.293 4.307 3.960 0.091 0.000 0.320 96 G C 0.119 175.068 174.900 0.081 0.000 1.204 96 G CA -0.466 44.696 45.100 0.103 0.000 0.923 96 G HN -0.122 8.302 8.290 0.224 0.000 0.466 97 K N 4.050 124.484 120.400 0.057 0.000 1.968 97 K HA -0.242 4.109 4.320 0.051 0.000 0.215 97 K C 1.948 178.569 176.600 0.035 0.000 1.040 97 K CA 2.391 58.705 56.287 0.044 0.000 0.959 97 K CB -0.272 32.247 32.500 0.032 0.000 0.740 97 K HN 0.406 8.686 8.250 0.050 0.000 0.443 98 S N -1.315 114.400 115.700 0.025 0.000 2.440 98 S HA -0.236 4.239 4.470 0.009 0.000 0.238 98 S C 1.915 176.526 174.600 0.018 0.000 1.010 98 S CA 2.857 61.065 58.200 0.014 0.000 0.972 98 S CB -0.284 62.920 63.200 0.008 0.000 0.774 98 S HN -0.045 8.279 8.310 0.024 0.000 0.501 99 K N 1.090 121.509 120.400 0.032 0.000 1.973 99 K HA -0.195 4.143 4.320 0.030 0.000 0.212 99 K C 2.222 178.853 176.600 0.051 0.000 1.047 99 K CA 2.428 58.739 56.287 0.040 0.000 0.937 99 K CB -0.446 32.084 32.500 0.051 0.000 0.721 99 K HN -0.162 8.064 8.250 0.037 0.046 0.440 100 L N -3.874 117.388 121.223 0.066 0.000 2.083 100 L HA -0.170 4.243 4.340 0.121 0.000 0.209 100 L C 2.047 178.927 176.870 0.017 0.000 1.083 100 L CA 2.689 57.573 54.840 0.075 0.000 0.752 100 L CB -0.565 41.548 42.059 0.090 0.000 0.899 100 L HN -0.605 7.667 8.230 0.069 0.000 0.433 101 I N -0.637 119.938 120.570 0.009 0.000 2.226 101 I HA -0.520 3.634 4.170 -0.025 0.000 0.245 101 I C 2.104 178.202 176.117 -0.030 0.000 1.100 101 I CA 2.059 63.351 61.300 -0.015 0.000 1.374 101 I CB -1.980 36.016 38.000 -0.007 0.000 1.057 101 I HN -0.374 7.834 8.210 0.022 0.015 0.413 102 A N -0.678 122.128 122.820 -0.022 0.000 1.877 102 A HA -0.136 4.149 4.320 -0.059 0.000 0.216 102 A C -1.083 176.474 177.584 -0.045 0.000 1.186 102 A CA 4.912 56.926 52.037 -0.039 0.000 0.620 102 A CB -2.633 16.351 19.000 -0.026 0.000 0.822 102 A HN -0.218 7.928 8.150 -0.007 0.000 0.443 103 P HA -0.097 4.312 4.420 -0.019 0.000 0.217 103 P C 1.313 178.561 177.300 -0.087 0.000 1.154 103 P CA 2.240 65.322 63.100 -0.031 0.000 0.841 103 P CB -0.237 31.479 31.700 0.026 0.000 0.788 104 L N -2.144 119.003 121.223 -0.125 0.000 2.046 104 L HA -0.224 3.993 4.340 -0.205 0.000 0.208 104 L C 2.382 179.214 176.870 -0.064 0.000 1.077 104 L CA 3.082 57.834 54.840 -0.148 0.000 0.747 104 L CB -0.809 41.155 42.059 -0.159 0.000 0.896 104 L HN -0.519 7.648 8.230 -0.105 0.000 0.432 105 A N -1.522 121.273 122.820 -0.041 0.000 1.902 105 A HA -0.410 3.953 4.320 0.070 0.000 0.217 105 A C 1.611 179.227 177.584 0.052 0.000 1.181 105 A CA 3.106 55.152 52.037 0.015 0.000 0.623 105 A CB -0.468 18.502 19.000 -0.051 0.000 0.818 105 A HN -0.026 8.090 8.150 -0.057 0.000 0.443 106 L N -2.324 118.878 121.223 -0.035 0.000 2.046 106 L HA -0.288 3.995 4.340 -0.095 0.000 0.208 106 L C 1.638 178.560 176.870 0.086 0.000 1.077 106 L CA 2.800 57.626 54.840 -0.024 0.000 0.747 106 L CB -0.476 41.553 42.059 -0.049 0.000 0.896 106 L HN -0.563 7.555 8.230 -0.058 0.077 0.432 107 T N -0.808 113.786 114.554 0.067 0.000 2.746 107 T HA -0.443 3.982 4.350 0.125 0.000 0.267 107 T C 2.308 177.125 174.700 0.195 0.000 1.039 107 T CA 4.432 66.601 62.100 0.114 0.000 1.142 107 T CB -0.157 68.743 68.868 0.052 0.000 0.866 107 T HN -0.189 8.060 8.240 0.015 0.000 0.444 108 I N -1.078 119.580 120.570 0.147 0.000 2.226 108 I HA -0.454 3.758 4.170 0.070 0.000 0.245 108 I C 1.590 177.802 176.117 0.158 0.000 1.100 108 I CA 3.246 64.599 61.300 0.087 0.000 1.374 108 I CB -0.742 37.210 38.000 -0.080 0.000 1.057 108 I HN -0.683 7.592 8.210 0.107 0.000 0.413 109 F N -0.211 119.759 119.950 0.032 0.000 2.134 109 F HA -0.328 4.235 4.527 0.059 0.000 0.299 109 F C 2.265 178.148 175.800 0.137 0.000 1.097 109 F CA 4.268 62.307 58.000 0.065 0.000 1.264 109 F CB -0.475 38.544 39.000 0.030 0.000 1.001 109 F HN -0.657 7.988 8.300 0.575 0.000 0.479 110 V N -0.303 119.791 119.914 0.300 0.000 2.343 110 V HA -0.547 3.662 4.120 0.150 0.000 0.247 110 V C 1.182 177.438 176.094 0.271 0.000 1.051 110 V CA 4.006 66.426 62.300 0.200 0.000 1.036 110 V CB 0.105 31.982 31.823 0.091 0.000 0.654 110 V HN -0.219 8.144 8.190 0.289 0.000 0.451 111 W N -0.764 120.603 121.300 0.113 0.000 2.358 111 W HA -0.320 4.409 4.660 0.115 0.000 0.303 111 W C 1.396 177.976 176.519 0.101 0.000 1.208 111 W CA 3.850 61.261 57.345 0.109 0.000 1.274 111 W CB -0.051 29.474 29.460 0.108 0.000 1.138 111 W HN -0.384 8.052 8.180 0.427 0.000 0.515 112 V N 0.205 120.357 119.914 0.398 0.000 2.343 112 V HA -0.456 3.827 4.120 0.271 0.000 0.247 112 V C 1.389 177.593 176.094 0.183 0.000 1.051 112 V CA 3.740 66.177 62.300 0.227 0.000 1.036 112 V CB -1.052 30.796 31.823 0.041 0.000 0.654 112 V HN -0.594 7.796 8.190 0.334 0.000 0.451 113 F N 1.321 121.315 119.950 0.072 0.000 2.171 113 F HA -0.337 4.207 4.527 0.028 0.000 0.300 113 F C 1.520 177.329 175.800 0.015 0.000 1.090 113 F CA 3.665 61.690 58.000 0.042 0.000 1.293 113 F CB -0.131 38.903 39.000 0.057 0.000 1.013 113 F HN -0.452 8.000 8.300 0.371 0.071 0.486 114 L N -0.119 121.296 121.223 0.319 0.000 2.042 114 L HA -0.453 4.032 4.340 0.242 0.000 0.210 114 L C 1.607 178.498 176.870 0.035 0.000 1.076 114 L CA 3.397 58.324 54.840 0.146 0.000 0.749 114 L CB -0.369 41.661 42.059 -0.049 0.000 0.893 114 L HN 0.273 8.587 8.230 0.309 0.102 0.432 115 M N -1.882 117.737 119.600 0.032 0.000 2.117 115 M HA -0.584 3.888 4.480 -0.012 0.000 0.262 115 M C 2.081 178.341 176.300 -0.068 0.000 1.065 115 M CA 4.593 59.889 55.300 -0.007 0.000 1.114 115 M CB -0.503 32.113 32.600 0.028 0.000 1.361 115 M HN -0.460 7.885 8.290 0.092 0.000 0.408 116 N N -0.529 118.100 118.700 -0.119 0.000 2.166 116 N HA -0.289 4.349 4.740 -0.169 0.000 0.186 116 N C 2.168 177.555 175.510 -0.205 0.000 1.019 116 N CA 3.277 56.203 53.050 -0.207 0.000 0.856 116 N CB 0.014 38.298 38.487 -0.338 0.000 0.993 116 N HN -0.556 7.697 8.380 -0.093 0.071 0.426 117 L N 1.009 122.123 121.223 -0.181 0.000 2.046 117 L HA -0.288 3.983 4.340 -0.115 0.000 0.208 117 L C 1.458 178.312 176.870 -0.026 0.000 1.077 117 L CA 3.115 57.913 54.840 -0.070 0.000 0.747 117 L CB -0.285 41.839 42.059 0.108 0.000 0.896 117 L HN 0.264 8.196 8.230 -0.162 0.200 0.432 118 M N -1.717 117.872 119.600 -0.018 0.000 2.117 118 M HA -0.478 4.013 4.480 0.018 0.000 0.262 118 M C 1.331 177.616 176.300 -0.024 0.000 1.065 118 M CA 3.866 59.168 55.300 0.003 0.000 1.114 118 M CB -0.268 32.349 32.600 0.029 0.000 1.361 118 M HN -0.187 8.004 8.290 -0.022 0.086 0.408 119 D N -1.922 118.441 120.400 -0.062 0.000 2.144 119 D HA -0.227 4.305 4.640 -0.180 0.000 0.199 119 D C 2.358 178.592 176.300 -0.110 0.000 0.984 119 D CA 3.609 57.533 54.000 -0.126 0.000 0.834 119 D CB 0.155 40.868 40.800 -0.144 0.000 0.955 119 D HN -0.675 7.656 8.370 -0.065 0.000 0.465 120 L N 0.445 121.619 121.223 -0.082 0.000 2.083 120 L HA -0.250 4.055 4.340 -0.059 0.000 0.209 120 L C 1.247 178.112 176.870 -0.008 0.000 1.083 120 L CA 2.681 57.489 54.840 -0.054 0.000 0.752 120 L CB -0.322 41.699 42.059 -0.065 0.000 0.899 120 L HN -0.062 8.014 8.230 -0.092 0.099 0.433 121 L N -0.225 121.004 121.223 0.010 0.000 2.042 121 L HA -0.106 4.266 4.340 0.052 0.000 0.210 121 L C -1.124 175.788 176.870 0.070 0.000 1.076 121 L CA 4.937 59.805 54.840 0.046 0.000 0.749 121 L CB -2.636 39.456 42.059 0.055 0.000 0.893 121 L HN -0.232 7.997 8.230 -0.001 0.000 0.432 122 P HA -0.167 4.363 4.420 0.184 0.000 0.217 122 P C 1.783 179.157 177.300 0.124 0.000 1.154 122 P CA 2.653 65.841 63.100 0.147 0.000 0.841 122 P CB -0.563 31.253 31.700 0.194 0.000 0.788 123 I N -1.754 118.845 120.570 0.049 0.000 2.226 123 I HA -0.424 3.802 4.170 0.093 0.000 0.245 123 I C 0.940 177.089 176.117 0.054 0.000 1.100 123 I CA 2.362 63.694 61.300 0.053 0.000 1.374 123 I CB 0.001 38.005 38.000 0.006 0.000 1.057 123 I HN -0.562 7.645 8.210 -0.005 0.000 0.413 124 D N -1.451 118.975 120.400 0.043 0.000 2.144 124 D HA -0.185 4.461 4.640 0.010 0.000 0.199 124 D C 2.260 178.597 176.300 0.060 0.000 0.984 124 D CA 2.840 56.864 54.000 0.041 0.000 0.834 124 D CB -0.220 40.616 40.800 0.059 0.000 0.955 124 D HN -0.121 8.272 8.370 0.039 0.000 0.465 125 L N -0.680 120.600 121.223 0.097 0.000 2.046 125 L HA -0.212 4.223 4.340 0.157 0.000 0.208 125 L C 1.935 178.870 176.870 0.108 0.000 1.077 125 L CA 2.449 57.364 54.840 0.125 0.000 0.747 125 L CB -0.018 42.120 42.059 0.132 0.000 0.896 125 L HN -0.695 7.491 8.230 0.096 0.101 0.432 126 L N 0.250 121.531 121.223 0.096 0.000 2.042 126 L HA -0.135 4.267 4.340 0.104 0.000 0.210 126 L C -0.689 176.186 176.870 0.008 0.000 1.076 126 L CA 4.127 59.022 54.840 0.090 0.000 0.749 126 L CB -2.533 39.615 42.059 0.150 0.000 0.893 126 L HN -0.533 7.763 8.230 0.110 0.000 0.432 127 P HA -0.236 4.037 4.420 -0.245 0.000 0.218 127 P C -1.042 176.034 177.300 -0.373 0.000 1.152 127 P CA 1.964 64.869 63.100 -0.326 0.000 0.857 127 P CB 0.062 31.427 31.700 -0.557 0.000 0.787 128 Y N -3.366 116.956 120.300 0.037 0.000 2.356 128 Y HA 0.061 4.626 4.550 0.024 0.000 0.334 128 Y C -0.691 175.233 175.900 0.039 0.000 0.958 128 Y CA -1.368 56.752 58.100 0.032 0.000 1.196 128 Y CB 0.366 38.844 38.460 0.030 0.000 1.137 128 Y HN -0.743 7.474 8.280 -0.074 0.019 0.485 129 I N -0.191 120.482 120.570 0.171 0.000 2.947 129 I HA 0.363 4.602 4.170 0.116 0.000 0.314 129 I C -1.197 174.984 176.117 0.107 0.000 1.028 129 I CA -1.407 59.963 61.300 0.117 0.000 1.077 129 I CB 1.510 39.557 38.000 0.079 0.000 1.274 129 I HN 0.102 8.412 8.210 0.166 0.000 0.485 130 A N 3.551 126.425 122.820 0.090 0.000 1.696 130 A HA 0.085 4.447 4.320 0.069 0.000 0.184 130 A C -0.603 177.025 177.584 0.074 0.000 1.658 130 A CA 0.568 52.650 52.037 0.074 0.000 1.194 130 A CB 0.755 19.793 19.000 0.064 0.000 1.036 130 A HN 0.322 8.527 8.150 0.092 0.000 0.579 131 E N -0.116 120.134 120.200 0.084 0.000 2.299 131 E HA 0.101 4.500 4.350 0.083 0.000 0.265 131 E C -1.418 175.276 176.600 0.157 0.000 0.911 131 E CA -0.455 55.999 56.400 0.090 0.000 0.789 131 E CB 1.510 31.244 29.700 0.056 0.000 1.246 131 E HN -0.293 8.118 8.360 0.085 0.000 0.427 132 H N -0.135 118.938 119.070 0.005 0.000 3.139 132 H HA 0.144 4.698 4.556 -0.003 0.000 0.322 132 H C -1.212 174.102 175.328 -0.022 0.000 1.345 132 H CA 0.350 56.395 56.048 -0.005 0.000 1.637 132 H CB 1.148 30.911 29.762 0.001 0.000 1.959 132 H HN 0.181 8.524 8.280 0.106 0.000 0.586 133 V N 8.795 128.547 119.914 -0.270 0.000 3.170 133 V HA 0.080 4.055 4.120 -0.241 0.000 0.354 133 V C -0.863 175.023 176.094 -0.347 0.000 1.350 133 V CA -0.475 61.668 62.300 -0.261 0.000 1.244 133 V CB -0.330 31.416 31.823 -0.128 0.000 1.222 133 V HN 0.500 8.593 8.190 -0.161 0.000 0.478 134 L N -2.395 118.442 121.223 -0.643 0.000 3.412 134 L HA -0.582 3.454 4.340 -0.507 0.000 0.253 134 L C 1.057 177.803 176.870 -0.208 0.000 4.367 134 L CA 2.526 57.107 54.840 -0.431 0.000 0.793 134 L CB -2.508 39.380 42.059 -0.285 0.000 3.488 134 L HN -0.388 7.056 8.230 -1.161 0.089 0.786 135 G N -2.835 105.868 108.800 -0.161 0.000 2.637 135 G HA2 -0.327 3.575 3.960 -0.097 0.000 0.215 135 G HA3 -0.327 3.577 3.960 -0.093 0.000 0.215 135 G C 0.577 175.429 174.900 -0.080 0.000 1.289 135 G CA 2.049 47.086 45.100 -0.104 0.000 0.816 135 G HN 0.220 8.344 8.290 -0.173 0.062 0.580 136 L N 1.341 122.523 121.223 -0.069 0.000 2.034 136 L HA -0.248 4.072 4.340 -0.035 0.000 0.217 136 L C -0.916 175.939 176.870 -0.026 0.000 1.077 136 L CA 3.766 58.581 54.840 -0.041 0.000 0.769 136 L CB -2.003 40.037 42.059 -0.031 0.000 0.890 136 L HN 0.152 8.336 8.230 -0.077 0.000 0.435 137 P HA -0.366 4.087 4.420 0.054 0.000 0.212 137 P C 1.111 178.413 177.300 0.002 0.000 1.178 137 P CA 3.207 66.330 63.100 0.038 0.000 0.915 137 P CB -0.923 30.865 31.700 0.145 0.000 0.788 138 A N -3.079 119.726 122.820 -0.024 0.000 1.902 138 A HA -0.237 4.026 4.320 -0.095 0.000 0.217 138 A C 2.492 180.029 177.584 -0.080 0.000 1.181 138 A CA 3.047 55.041 52.037 -0.072 0.000 0.623 138 A CB -0.628 18.321 19.000 -0.084 0.000 0.818 138 A HN -0.595 7.539 8.150 -0.026 0.000 0.443 139 L N -2.515 118.672 121.223 -0.060 0.000 2.046 139 L HA -0.287 4.018 4.340 -0.058 0.000 0.208 139 L C 2.189 179.037 176.870 -0.036 0.000 1.077 139 L CA 2.802 57.613 54.840 -0.050 0.000 0.747 139 L CB -1.393 40.641 42.059 -0.041 0.000 0.896 139 L HN 0.337 8.533 8.230 -0.057 0.000 0.432 140 R N -1.852 118.634 120.500 -0.024 0.000 2.096 140 R HA -0.224 4.115 4.340 -0.002 0.000 0.235 140 R C 2.337 178.631 176.300 -0.011 0.000 1.127 140 R CA 1.922 58.018 56.100 -0.007 0.000 0.968 140 R CB -0.144 30.160 30.300 0.007 0.000 0.861 140 R HN 0.092 8.241 8.270 -0.024 0.106 0.440 141 V N -0.074 119.817 119.914 -0.038 0.000 2.343 141 V HA -0.418 3.691 4.120 -0.018 0.000 0.247 141 V C 1.923 177.974 176.094 -0.070 0.000 1.051 141 V CA 4.557 66.818 62.300 -0.065 0.000 1.036 141 V CB -0.542 31.183 31.823 -0.164 0.000 0.654 141 V HN -0.318 7.748 8.190 -0.046 0.096 0.451 142 V N -0.856 119.007 119.914 -0.085 0.000 2.287 142 V HA -0.255 3.803 4.120 -0.103 0.000 0.248 142 V C -0.503 175.589 176.094 -0.002 0.000 1.053 142 V CA 5.259 67.517 62.300 -0.069 0.000 1.027 142 V CB -3.293 28.487 31.823 -0.072 0.000 0.646 142 V HN -0.487 7.649 8.190 -0.090 0.000 0.447 143 P HA -0.115 4.345 4.420 0.068 0.000 0.217 143 P C 1.929 179.266 177.300 0.063 0.000 1.151 143 P CA 2.715 65.844 63.100 0.047 0.000 0.828 143 P CB -0.501 31.219 31.700 0.034 0.000 0.788 144 S N -0.251 115.480 115.700 0.051 0.000 2.370 144 S HA -0.392 4.117 4.470 0.066 0.000 0.226 144 S C 1.929 176.585 174.600 0.092 0.000 1.033 144 S CA 3.567 61.808 58.200 0.068 0.000 1.011 144 S CB -0.396 62.845 63.200 0.069 0.000 0.852 144 S HN -0.486 7.844 8.310 0.032 0.000 0.457 145 A N 1.414 124.292 122.820 0.097 0.000 1.902 145 A HA -0.429 3.973 4.320 0.137 0.000 0.217 145 A C 1.500 179.170 177.584 0.143 0.000 1.181 145 A CA 3.175 55.284 52.037 0.120 0.000 0.623 145 A CB -0.707 18.355 19.000 0.103 0.000 0.818 145 A HN -0.118 8.072 8.150 0.067 0.000 0.443 146 D N -1.184 119.326 120.400 0.184 0.000 2.117 146 D HA -0.268 4.660 4.640 0.481 0.000 0.197 146 D C 2.438 178.822 176.300 0.140 0.000 0.987 146 D CA 3.138 57.306 54.000 0.280 0.000 0.829 146 D CB -0.545 40.428 40.800 0.288 0.000 0.961 146 D HN -0.660 7.716 8.370 0.142 0.078 0.460 147 V N -0.085 119.891 119.914 0.104 0.000 2.343 147 V HA -0.434 3.726 4.120 0.067 0.000 0.247 147 V C 2.016 178.150 176.094 0.067 0.000 1.051 147 V CA 3.906 66.251 62.300 0.074 0.000 1.036 147 V CB -0.207 31.655 31.823 0.064 0.000 0.654 147 V HN 0.044 8.214 8.190 0.105 0.082 0.451 148 N N -0.090 118.653 118.700 0.072 0.000 2.120 148 N HA -0.326 4.443 4.740 0.049 0.000 0.188 148 N C 2.286 177.820 175.510 0.039 0.000 1.024 148 N CA 3.529 56.613 53.050 0.056 0.000 0.852 148 N CB -0.325 38.200 38.487 0.064 0.000 1.003 148 N HN -0.371 8.060 8.380 0.085 0.000 0.424 149 V N 0.340 120.274 119.914 0.032 0.000 2.343 149 V HA -0.392 3.678 4.120 -0.083 0.000 0.247 149 V C 1.401 177.535 176.094 0.068 0.000 1.051 149 V CA 3.436 65.704 62.300 -0.053 0.000 1.036 149 V CB 0.065 31.775 31.823 -0.190 0.000 0.654 149 V HN -0.541 7.688 8.190 0.065 0.000 0.451 150 T N 0.074 114.688 114.554 0.100 0.000 2.746 150 T HA -0.368 4.120 4.350 0.230 0.000 0.267 150 T C 1.830 176.589 174.700 0.098 0.000 1.039 150 T CA 4.242 66.423 62.100 0.135 0.000 1.142 150 T CB -0.487 68.428 68.868 0.077 0.000 0.866 150 T HN -0.579 7.701 8.240 0.066 0.000 0.444 151 L N 1.059 122.318 121.223 0.060 0.000 2.046 151 L HA -0.318 4.043 4.340 0.035 0.000 0.208 151 L C 1.721 178.595 176.870 0.005 0.000 1.077 151 L CA 2.979 57.839 54.840 0.033 0.000 0.747 151 L CB -0.215 41.858 42.059 0.025 0.000 0.896 151 L HN -0.187 7.999 8.230 0.057 0.079 0.432 152 S N -0.475 115.224 115.700 -0.002 0.000 2.368 152 S HA -0.433 3.957 4.470 -0.135 0.000 0.225 152 S C 2.259 176.789 174.600 -0.117 0.000 1.030 152 S CA 3.493 61.639 58.200 -0.090 0.000 0.999 152 S CB -0.429 62.715 63.200 -0.093 0.000 0.844 152 S HN -0.285 7.957 8.310 0.022 0.082 0.459 153 M N 2.464 122.098 119.600 0.057 0.000 2.117 153 M HA -0.333 4.146 4.480 -0.000 0.000 0.262 153 M C 1.392 177.688 176.300 -0.007 0.000 1.065 153 M CA 3.317 58.645 55.300 0.047 0.000 1.114 153 M CB -0.138 32.526 32.600 0.107 0.000 1.361 153 M HN -0.623 7.765 8.290 0.164 0.000 0.408 154 A N -0.499 122.332 122.820 0.018 0.000 1.902 154 A HA -0.280 4.072 4.320 0.053 0.000 0.217 154 A C 1.865 179.482 177.584 0.054 0.000 1.181 154 A CA 3.046 55.108 52.037 0.043 0.000 0.623 154 A CB -0.980 18.052 19.000 0.053 0.000 0.818 154 A HN -0.313 7.769 8.150 0.033 0.088 0.443 155 L N -1.684 119.528 121.223 -0.018 0.000 2.046 155 L HA -0.274 4.071 4.340 0.008 0.000 0.208 155 L C 2.093 178.956 176.870 -0.012 0.000 1.077 155 L CA 2.603 57.419 54.840 -0.039 0.000 0.747 155 L CB -0.992 40.987 42.059 -0.133 0.000 0.896 155 L HN -0.210 7.906 8.230 -0.050 0.084 0.432 156 G N -2.017 106.712 108.800 -0.119 0.000 2.418 156 G HA2 -0.331 3.637 3.960 0.014 0.000 0.217 156 G HA3 -0.331 3.570 3.960 -0.098 0.000 0.217 156 G C 1.518 176.499 174.900 0.134 0.000 1.158 156 G CA 2.246 47.330 45.100 -0.026 0.000 0.771 156 G HN -0.381 7.785 8.290 -0.207 0.000 0.545 157 V N 2.221 122.205 119.914 0.117 0.000 2.343 157 V HA -0.419 3.786 4.120 0.141 0.000 0.247 157 V C 1.531 177.723 176.094 0.163 0.000 1.051 157 V CA 3.281 65.661 62.300 0.134 0.000 1.036 157 V CB -0.771 31.108 31.823 0.095 0.000 0.654 157 V HN -0.540 7.615 8.190 0.072 0.078 0.451 158 F N 1.243 121.218 119.950 0.040 0.000 2.134 158 F HA -0.373 4.185 4.527 0.051 0.000 0.299 158 F C 1.848 177.679 175.800 0.052 0.000 1.097 158 F CA 3.776 61.801 58.000 0.041 0.000 1.264 158 F CB 0.034 39.044 39.000 0.018 0.000 1.001 158 F HN -0.497 7.895 8.300 0.287 0.080 0.479 159 I N -0.306 120.480 120.570 0.361 0.000 2.226 159 I HA -0.399 3.960 4.170 0.315 0.000 0.245 159 I C 1.161 177.369 176.117 0.152 0.000 1.100 159 I CA 2.585 64.036 61.300 0.251 0.000 1.374 159 I CB -0.141 37.964 38.000 0.175 0.000 1.057 159 I HN -0.533 7.858 8.210 0.303 0.000 0.413 160 L N -1.187 120.110 121.223 0.123 0.000 2.046 160 L HA -0.339 3.968 4.340 -0.055 0.000 0.208 160 L C 2.407 179.291 176.870 0.023 0.000 1.077 160 L CA 3.345 58.205 54.840 0.034 0.000 0.747 160 L CB -1.203 40.931 42.059 0.126 0.000 0.896 160 L HN -0.639 7.686 8.230 0.160 0.000 0.432 161 I N -3.871 116.778 120.570 0.131 0.000 2.226 161 I HA -0.539 3.898 4.170 0.445 0.000 0.245 161 I C 1.732 177.898 176.117 0.081 0.000 1.100 161 I CA 3.760 65.157 61.300 0.161 0.000 1.374 161 I CB -0.676 37.302 38.000 -0.036 0.000 1.057 161 I HN -0.491 7.783 8.210 0.107 0.000 0.413 162 L N 0.190 121.436 121.223 0.038 0.000 2.046 162 L HA -0.343 4.011 4.340 0.023 0.000 0.208 162 L C 2.695 179.613 176.870 0.081 0.000 1.077 162 L CA 2.635 57.514 54.840 0.066 0.000 0.747 162 L CB -0.698 41.452 42.059 0.151 0.000 0.896 162 L HN -0.591 7.666 8.230 0.045 0.000 0.432 163 F N 0.275 120.158 119.950 -0.112 0.000 2.134 163 F HA -0.445 4.020 4.527 -0.102 0.000 0.299 163 F C 1.510 177.215 175.800 -0.158 0.000 1.097 163 F CA 3.511 61.403 58.000 -0.180 0.000 1.264 163 F CB -0.019 38.796 39.000 -0.308 0.000 1.001 163 F HN -0.694 7.694 8.300 0.147 0.000 0.479 164 Y N -2.168 118.079 120.300 -0.088 0.000 2.181 164 Y HA -0.436 3.913 4.550 -0.335 0.000 0.288 164 Y C 1.959 177.746 175.900 -0.189 0.000 1.146 164 Y CA 2.453 60.438 58.100 -0.192 0.000 1.164 164 Y CB -0.538 37.882 38.460 -0.066 0.000 0.982 164 Y HN -0.493 7.677 8.280 -0.183 0.000 0.515 165 S N -1.628 114.089 115.700 0.029 0.000 2.368 165 S HA -0.399 4.066 4.470 -0.008 0.000 0.225 165 S C 1.632 176.195 174.600 -0.061 0.000 1.030 165 S CA 3.372 61.564 58.200 -0.014 0.000 0.999 165 S CB 0.459 63.656 63.200 -0.005 0.000 0.844 165 S HN -0.470 7.878 8.310 0.064 0.000 0.459 166 I N 1.508 122.021 120.570 -0.095 0.000 2.286 166 I HA -0.283 3.850 4.170 -0.062 0.000 0.248 166 I C -0.464 175.559 176.117 -0.156 0.000 1.115 166 I CA 0.452 61.688 61.300 -0.105 0.000 1.392 166 I CB 0.453 38.403 38.000 -0.083 0.000 1.065 166 I HN -0.787 7.368 8.210 -0.092 0.000 0.418 167 K N 0.305 120.550 120.400 -0.259 0.000 2.361 167 K HA -0.195 3.974 4.320 -0.253 0.000 0.283 167 K C -0.625 175.889 176.600 -0.144 0.000 1.078 167 K CA 0.671 56.806 56.287 -0.255 0.000 1.041 167 K CB -0.846 31.445 32.500 -0.347 0.000 0.932 167 K HN -0.615 7.424 8.250 -0.334 0.010 0.462 168 M N -0.612 118.919 119.600 -0.115 0.000 7.319 168 M HA -0.320 4.123 4.480 -0.062 0.000 0.157 168 M C -0.723 175.543 176.300 -0.056 0.000 0.480 168 M CA 0.962 56.218 55.300 -0.073 0.000 1.311 168 M CB -0.348 32.213 32.600 -0.064 0.000 0.421 168 M HN 0.127 8.341 8.290 -0.126 0.000 0.190 200 L N 1.326 122.530 121.223 -0.031 0.000 2.275 200 L HA 0.035 4.226 4.340 -0.249 0.000 0.215 200 L C 0.460 177.277 176.870 -0.089 0.000 1.119 200 L CA 1.726 56.497 54.840 -0.116 0.000 0.790 200 L CB -0.582 41.436 42.059 -0.068 0.000 0.919 200 L HN 0.384 8.623 8.230 0.015 0.000 0.443 201 L N -9.256 111.951 121.223 -0.027 0.000 2.609 201 L HA 0.437 4.752 4.340 -0.042 0.000 0.230 201 L C 1.535 178.394 176.870 -0.017 0.000 1.064 201 L CA 1.312 56.144 54.840 -0.014 0.000 0.873 201 L CB 0.432 42.518 42.059 0.046 0.000 1.139 201 L HN -1.006 7.190 8.230 0.001 0.035 0.490 202 S N 2.002 117.697 115.700 -0.009 0.000 2.368 202 S HA -0.285 4.179 4.470 -0.011 0.000 0.225 202 S C 1.696 176.259 174.600 -0.062 0.000 1.030 202 S CA 4.054 62.243 58.200 -0.019 0.000 0.999 202 S CB -0.966 62.233 63.200 -0.000 0.000 0.844 202 S HN -0.020 8.292 8.310 0.003 0.000 0.459 203 K N 0.425 120.783 120.400 -0.070 0.000 2.026 203 K HA -0.123 4.142 4.320 -0.091 0.000 0.208 203 K C -0.712 175.749 176.600 -0.232 0.000 1.048 203 K CA 4.976 61.200 56.287 -0.104 0.000 0.929 203 K CB -1.819 30.646 32.500 -0.058 0.000 0.713 203 K HN -0.682 7.537 8.250 -0.053 0.000 0.439 204 P HA -0.202 3.621 4.420 -0.995 0.000 0.215 204 P C 1.405 178.391 177.300 -0.523 0.000 1.153 204 P CA 2.909 65.733 63.100 -0.461 0.000 0.853 204 P CB -0.493 31.161 31.700 -0.077 0.000 0.788 205 V N -2.464 117.301 119.914 -0.249 0.000 2.343 205 V HA -0.462 3.578 4.120 -0.133 0.000 0.247 205 V C 2.035 178.017 176.094 -0.186 0.000 1.051 205 V CA 3.861 66.066 62.300 -0.159 0.000 1.036 205 V CB -1.014 30.776 31.823 -0.054 0.000 0.654 205 V HN -0.529 7.553 8.190 -0.166 0.008 0.451 206 S N -0.263 115.320 115.700 -0.196 0.000 2.368 206 S HA -0.292 4.115 4.470 -0.104 0.000 0.225 206 S C 2.237 176.713 174.600 -0.208 0.000 1.030 206 S CA 3.588 61.694 58.200 -0.158 0.000 0.999 206 S CB -0.059 63.066 63.200 -0.124 0.000 0.844 206 S HN -0.642 7.470 8.310 -0.191 0.083 0.459 207 L N -0.276 120.714 121.223 -0.387 0.000 2.046 207 L HA -0.254 3.933 4.340 -0.255 0.000 0.208 207 L C 2.319 179.003 176.870 -0.311 0.000 1.077 207 L CA 2.170 56.750 54.840 -0.433 0.000 0.747 207 L CB -1.236 40.285 42.059 -0.896 0.000 0.896 207 L HN -0.540 7.394 8.230 -0.494 0.000 0.432 208 G N -1.182 107.401 108.800 -0.363 0.000 2.418 208 G HA2 -0.352 3.570 3.960 -0.063 0.000 0.217 208 G HA3 -0.352 3.567 3.960 -0.068 0.000 0.217 208 G C 1.276 176.246 174.900 0.117 0.000 1.158 208 G CA 2.091 47.136 45.100 -0.091 0.000 0.771 208 G HN -0.336 7.649 8.290 -0.509 0.000 0.545 209 L N 2.085 123.325 121.223 0.027 0.000 2.046 209 L HA -0.270 4.108 4.340 0.063 0.000 0.208 209 L C 1.624 178.563 176.870 0.114 0.000 1.077 209 L CA 2.473 57.345 54.840 0.054 0.000 0.747 209 L CB -0.276 41.771 42.059 -0.019 0.000 0.896 209 L HN -0.313 7.801 8.230 -0.058 0.081 0.432 210 R N -0.704 119.830 120.500 0.057 0.000 2.073 210 R HA -0.303 4.086 4.340 0.080 0.000 0.234 210 R C 2.328 178.697 176.300 0.116 0.000 1.134 210 R CA 2.884 59.026 56.100 0.071 0.000 0.952 210 R CB -0.417 29.898 30.300 0.024 0.000 0.850 210 R HN -0.569 7.700 8.270 -0.001 0.000 0.433 211 L N -2.857 118.435 121.223 0.115 0.000 2.056 211 L HA -0.236 4.161 4.340 0.095 0.000 0.207 211 L C 1.501 178.493 176.870 0.203 0.000 1.078 211 L CA 3.397 58.317 54.840 0.134 0.000 0.749 211 L CB -1.112 41.020 42.059 0.121 0.000 0.901 211 L HN -0.440 7.836 8.230 0.076 0.000 0.433 212 F N 1.091 121.116 119.950 0.126 0.000 2.134 212 F HA -0.196 4.435 4.527 0.173 0.000 0.299 212 F C 1.575 177.465 175.800 0.151 0.000 1.097 212 F CA 2.925 61.014 58.000 0.150 0.000 1.264 212 F CB -0.004 39.081 39.000 0.142 0.000 1.001 212 F HN 0.474 8.895 8.300 0.384 0.109 0.479 213 G N -2.323 106.755 108.800 0.464 0.000 2.418 213 G HA2 -0.465 3.780 3.960 0.475 0.000 0.217 213 G HA3 -0.465 3.667 3.960 0.286 0.000 0.217 213 G C 1.069 176.114 174.900 0.241 0.000 1.158 213 G CA 2.109 47.427 45.100 0.363 0.000 0.771 213 G HN 0.018 8.552 8.290 0.408 0.000 0.545 214 N N 2.512 121.314 118.700 0.171 0.000 2.120 214 N HA -0.259 4.557 4.740 0.127 0.000 0.188 214 N C 2.411 177.978 175.510 0.096 0.000 1.024 214 N CA 3.104 56.225 53.050 0.119 0.000 0.852 214 N CB 0.046 38.584 38.487 0.084 0.000 1.003 214 N HN -0.597 7.886 8.380 0.172 0.000 0.424 215 M N -1.097 118.550 119.600 0.077 0.000 2.117 215 M HA -0.317 4.198 4.480 0.058 0.000 0.262 215 M C 1.631 178.044 176.300 0.187 0.000 1.065 215 M CA 3.901 59.261 55.300 0.101 0.000 1.114 215 M CB -0.528 32.086 32.600 0.024 0.000 1.361 215 M HN 0.155 8.492 8.290 0.080 0.000 0.408 216 Y N 1.038 121.309 120.300 -0.049 0.000 2.181 216 Y HA -0.433 4.064 4.550 -0.088 0.000 0.288 216 Y C 0.925 176.842 175.900 0.029 0.000 1.146 216 Y CA 3.294 61.359 58.100 -0.057 0.000 1.164 216 Y CB -0.064 38.350 38.460 -0.076 0.000 0.982 216 Y HN -0.484 7.870 8.280 0.122 0.000 0.515 217 A N -2.197 120.629 122.820 0.010 0.000 1.902 217 A HA -0.378 3.838 4.320 -0.173 0.000 0.217 217 A C 2.106 179.708 177.584 0.031 0.000 1.181 217 A CA 3.124 55.141 52.037 -0.033 0.000 0.623 217 A CB -0.879 18.173 19.000 0.087 0.000 0.818 217 A HN -0.402 7.845 8.150 0.162 0.000 0.443 218 G N -2.031 106.809 108.800 0.066 0.000 2.418 218 G HA2 -0.378 3.771 3.960 0.314 0.000 0.217 218 G HA3 -0.378 3.451 3.960 -0.218 0.000 0.217 218 G C 1.316 176.232 174.900 0.027 0.000 1.158 218 G CA 1.849 46.956 45.100 0.012 0.000 0.771 218 G HN 0.232 8.561 8.290 0.065 0.000 0.545 219 E N 2.803 122.963 120.200 -0.067 0.000 2.051 219 E HA -0.286 4.006 4.350 -0.096 0.000 0.192 219 E C 2.337 178.967 176.600 0.051 0.000 0.991 219 E CA 2.297 58.616 56.400 -0.134 0.000 0.799 219 E CB -0.393 29.049 29.700 -0.429 0.000 0.748 219 E HN -0.079 8.253 8.360 -0.048 0.000 0.449 220 L N -1.126 120.036 121.223 -0.102 0.000 2.027 220 L HA -0.210 4.050 4.340 -0.133 0.000 0.206 220 L C 2.385 179.235 176.870 -0.033 0.000 1.074 220 L CA 3.007 57.771 54.840 -0.126 0.000 0.745 220 L CB -0.903 41.000 42.059 -0.260 0.000 0.898 220 L HN -0.624 7.478 8.230 -0.213 0.000 0.433 221 I N -0.436 120.173 120.570 0.065 0.000 2.252 221 I HA -0.519 3.649 4.170 -0.003 0.000 0.245 221 I C 1.581 177.771 176.117 0.121 0.000 1.102 221 I CA 3.933 65.287 61.300 0.089 0.000 1.385 221 I CB -0.036 38.041 38.000 0.127 0.000 1.064 221 I HN -0.330 7.922 8.210 0.069 0.000 0.414 222 F N -1.434 118.534 119.950 0.031 0.000 2.134 222 F HA -0.345 4.194 4.527 0.019 0.000 0.299 222 F C 2.220 178.023 175.800 0.006 0.000 1.097 222 F CA 4.158 62.207 58.000 0.081 0.000 1.264 222 F CB -0.545 38.604 39.000 0.250 0.000 1.001 222 F HN -0.122 8.525 8.300 0.753 0.105 0.479 223 I N 0.126 120.725 120.570 0.048 0.000 2.179 223 I HA -0.478 3.245 4.170 -0.746 0.000 0.242 223 I C 1.040 176.951 176.117 -0.343 0.000 1.088 223 I CA 3.457 64.414 61.300 -0.572 0.000 1.357 223 I CB 0.065 37.415 38.000 -1.084 0.000 1.051 223 I HN -0.603 7.708 8.210 0.167 0.000 0.409 224 L N -1.783 119.308 121.223 -0.220 0.000 2.046 224 L HA -0.246 3.974 4.340 -0.199 0.000 0.208 224 L C 1.814 178.592 176.870 -0.153 0.000 1.077 224 L CA 3.376 58.110 54.840 -0.177 0.000 0.747 224 L CB -1.348 40.630 42.059 -0.135 0.000 0.896 224 L HN -0.696 7.431 8.230 -0.171 0.000 0.432 225 I N 0.008 120.491 120.570 -0.144 0.000 2.226 225 I HA -0.475 3.611 4.170 -0.141 0.000 0.245 225 I C 1.011 177.035 176.117 -0.154 0.000 1.100 225 I CA 1.884 63.091 61.300 -0.155 0.000 1.374 225 I CB -0.477 37.403 38.000 -0.201 0.000 1.057 225 I HN -0.428 7.704 8.210 -0.129 0.000 0.413 226 A N -1.683 121.047 122.820 -0.151 0.000 1.902 226 A HA -0.235 3.992 4.320 -0.155 0.000 0.217 226 A C 2.307 179.826 177.584 -0.107 0.000 1.181 226 A CA 2.977 54.935 52.037 -0.131 0.000 0.623 226 A CB -0.793 18.163 19.000 -0.074 0.000 0.818 226 A HN -0.071 7.994 8.150 -0.141 0.000 0.443 227 G N -1.537 107.189 108.800 -0.123 0.000 2.418 227 G HA2 -0.195 3.728 3.960 -0.062 0.000 0.217 227 G HA3 -0.195 3.696 3.960 -0.115 0.000 0.217 227 G C 0.668 175.510 174.900 -0.097 0.000 1.158 227 G CA 1.098 46.139 45.100 -0.097 0.000 0.771 227 G HN -0.536 7.660 8.290 -0.156 0.000 0.545 228 L N -0.176 120.975 121.223 -0.120 0.000 2.046 228 L HA -0.209 4.039 4.340 -0.153 0.000 0.208 228 L C 1.661 178.448 176.870 -0.138 0.000 1.077 228 L CA 2.137 56.895 54.840 -0.136 0.000 0.747 228 L CB -0.422 41.559 42.059 -0.130 0.000 0.896 228 L HN -0.741 7.414 8.230 -0.126 0.000 0.432 229 L N -2.978 118.182 121.223 -0.104 0.000 2.046 229 L HA -0.109 4.184 4.340 -0.079 0.000 0.208 229 L C -1.128 175.726 176.870 -0.026 0.000 1.077 229 L CA 1.772 56.569 54.840 -0.071 0.000 0.747 229 L CB -2.759 39.263 42.059 -0.062 0.000 0.896 229 L HN -0.522 7.645 8.230 -0.106 0.000 0.432 230 P HA 0.145 4.744 4.420 0.299 0.000 0.304 230 P C -1.731 175.658 177.300 0.149 0.000 1.310 230 P CA -1.086 62.117 63.100 0.173 0.000 0.796 230 P CB 1.201 32.998 31.700 0.161 0.000 1.297 231 W N -3.946 117.455 121.300 0.168 0.000 2.699 231 W HA 0.090 4.785 4.660 0.058 0.000 0.267 231 W C 0.910 177.503 176.519 0.123 0.000 1.182 231 W CA 0.672 58.101 57.345 0.140 0.000 1.453 231 W CB 0.302 29.873 29.460 0.185 0.000 1.054 231 W HN -0.167 8.476 8.180 0.772 0.000 0.595 232 W N 1.449 122.914 121.300 0.276 0.000 1.518 232 W HA 0.104 4.877 4.660 0.189 0.000 0.426 232 W C -0.209 176.377 176.519 0.111 0.000 0.675 232 W CA -1.460 55.995 57.345 0.183 0.000 1.936 232 W CB -2.418 27.151 29.460 0.183 0.000 1.749 232 W HN 0.034 8.753 8.180 0.897 0.000 0.247 233 S N 0.123 115.954 115.700 0.217 0.000 2.423 233 S HA -0.431 4.092 4.470 0.088 0.000 0.238 233 S C 1.645 176.299 174.600 0.090 0.000 1.028 233 S CA 3.642 61.911 58.200 0.114 0.000 1.000 233 S CB 0.161 63.408 63.200 0.078 0.000 0.797 233 S HN -0.236 8.127 8.310 0.189 0.060 0.487 234 Q N 2.110 121.954 119.800 0.074 0.000 1.715 234 Q HA -0.320 3.991 4.340 -0.048 0.000 0.372 234 Q C 1.560 177.676 176.000 0.193 0.000 0.998 234 Q CA 2.750 58.577 55.803 0.039 0.000 0.894 234 Q CB -0.253 28.475 28.738 -0.017 0.000 0.947 234 Q HN 0.026 8.300 8.270 0.083 0.045 0.407 235 W N -0.116 121.237 121.300 0.089 0.000 2.388 235 W HA -0.192 4.511 4.660 0.072 0.000 0.294 235 W C 1.757 178.331 176.519 0.092 0.000 1.212 235 W CA 2.819 60.212 57.345 0.080 0.000 1.271 235 W CB -0.205 29.288 29.460 0.055 0.000 1.126 235 W HN -0.029 8.420 8.180 0.449 0.000 0.535 236 I N -2.570 117.990 120.570 -0.017 0.000 2.226 236 I HA -0.448 3.375 4.170 -0.578 0.000 0.245 236 I C 1.640 177.662 176.117 -0.157 0.000 1.100 236 I CA 2.541 63.707 61.300 -0.223 0.000 1.374 236 I CB -1.032 36.973 38.000 0.009 0.000 1.057 236 I HN -0.516 7.844 8.210 0.251 0.000 0.413 237 L N -1.863 119.345 121.223 -0.026 0.000 2.056 237 L HA -0.316 4.007 4.340 -0.029 0.000 0.207 237 L C 1.469 178.402 176.870 0.104 0.000 1.078 237 L CA 2.622 57.462 54.840 -0.000 0.000 0.749 237 L CB 0.130 42.176 42.059 -0.022 0.000 0.901 237 L HN -0.502 7.637 8.230 0.034 0.112 0.433 238 N N -0.853 117.928 118.700 0.135 0.000 2.120 238 N HA -0.310 4.821 4.740 0.652 0.000 0.188 238 N C 2.364 177.954 175.510 0.134 0.000 1.024 238 N CA 3.290 56.516 53.050 0.293 0.000 0.852 238 N CB -0.108 38.533 38.487 0.257 0.000 1.003 238 N HN -0.674 7.756 8.380 0.084 0.000 0.424 239 V N 0.008 119.870 119.914 -0.086 0.000 2.295 239 V HA -0.285 3.811 4.120 -0.039 0.000 0.246 239 V C -1.101 174.987 176.094 -0.010 0.000 1.049 239 V CA 6.282 68.516 62.300 -0.111 0.000 1.024 239 V CB -1.907 29.714 31.823 -0.336 0.000 0.648 239 V HN -0.354 7.692 8.190 -0.241 0.000 0.447 240 P HA -0.009 4.511 4.420 0.166 0.000 0.217 240 P C 0.954 178.294 177.300 0.066 0.000 1.154 240 P CA 1.937 65.038 63.100 0.001 0.000 0.841 240 P CB -0.391 31.190 31.700 -0.199 0.000 0.790 241 W N -0.230 121.027 121.300 -0.073 0.000 2.358 241 W HA -0.460 4.229 4.660 0.047 0.000 0.303 241 W C 0.725 177.317 176.519 0.122 0.000 1.208 241 W CA 4.117 61.476 57.345 0.024 0.000 1.274 241 W CB -0.755 28.699 29.460 -0.010 0.000 1.138 241 W HN -0.143 8.174 8.180 0.227 0.000 0.515 242 A N -0.999 121.642 122.820 -0.300 0.000 1.873 242 A HA -0.359 3.385 4.320 -0.959 0.000 0.215 242 A C 1.814 179.290 177.584 -0.180 0.000 1.186 242 A CA 2.936 54.674 52.037 -0.497 0.000 0.616 242 A CB -0.786 18.019 19.000 -0.325 0.000 0.823 242 A HN -0.196 7.946 8.150 -0.013 0.000 0.442 243 I N -1.347 119.235 120.570 0.019 0.000 2.226 243 I HA -0.408 3.748 4.170 -0.022 0.000 0.245 243 I C 1.399 177.587 176.117 0.117 0.000 1.100 243 I CA 1.979 63.323 61.300 0.073 0.000 1.374 243 I CB -0.141 37.937 38.000 0.131 0.000 1.057 243 I HN -0.746 7.500 8.210 0.060 0.000 0.413 244 F N -1.721 118.227 119.950 -0.004 0.000 2.134 244 F HA -0.416 4.146 4.527 0.058 0.000 0.299 244 F C 2.054 177.755 175.800 -0.165 0.000 1.097 244 F CA 4.091 62.123 58.000 0.054 0.000 1.264 244 F CB -1.080 38.163 39.000 0.405 0.000 1.001 244 F HN -0.218 8.506 8.300 0.707 0.000 0.479 245 H N -0.071 118.900 119.070 -0.165 0.000 2.353 245 H HA -0.374 3.873 4.556 -0.515 0.000 0.300 245 H C 1.855 177.038 175.328 -0.242 0.000 1.090 245 H CA 3.648 59.488 56.048 -0.347 0.000 1.327 245 H CB 0.347 29.877 29.762 -0.386 0.000 1.383 245 H HN -0.537 7.788 8.280 0.076 0.000 0.508 246 I N 0.211 120.612 120.570 -0.282 0.000 2.226 246 I HA -0.351 3.592 4.170 -0.377 0.000 0.245 246 I C 0.938 176.916 176.117 -0.231 0.000 1.100 246 I CA 1.745 62.875 61.300 -0.283 0.000 1.374 246 I CB -0.382 37.511 38.000 -0.179 0.000 1.057 246 I HN -0.592 7.540 8.210 -0.161 -0.019 0.413 247 L N -0.105 121.004 121.223 -0.189 0.000 2.046 247 L HA -0.301 3.956 4.340 -0.139 0.000 0.208 247 L C 1.947 178.723 176.870 -0.157 0.000 1.077 247 L CA 3.382 58.124 54.840 -0.163 0.000 0.747 247 L CB -0.888 41.060 42.059 -0.185 0.000 0.896 247 L HN -0.526 7.603 8.230 -0.168 0.000 0.432 248 I N -4.286 116.171 120.570 -0.188 0.000 2.226 248 I HA -0.476 3.634 4.170 -0.099 0.000 0.245 248 I C 1.590 177.624 176.117 -0.138 0.000 1.100 248 I CA 3.739 64.948 61.300 -0.151 0.000 1.374 248 I CB -0.531 37.361 38.000 -0.180 0.000 1.057 248 I HN -0.721 7.354 8.210 -0.224 0.000 0.413 249 I N -1.861 118.577 120.570 -0.221 0.000 2.286 249 I HA -0.335 3.779 4.170 -0.093 0.000 0.248 249 I C 1.527 177.609 176.117 -0.059 0.000 1.115 249 I CA 2.681 63.889 61.300 -0.153 0.000 1.392 249 I CB -1.274 36.575 38.000 -0.253 0.000 1.065 249 I HN -0.590 7.417 8.210 -0.337 0.000 0.418 250 T N 3.757 118.265 114.554 -0.077 0.000 2.746 250 T HA -0.397 3.956 4.350 0.006 0.000 0.267 250 T C 1.776 176.498 174.700 0.038 0.000 1.039 250 T CA 6.006 68.096 62.100 -0.016 0.000 1.142 250 T CB -0.194 68.650 68.868 -0.040 0.000 0.866 250 T HN -0.341 7.810 8.240 -0.132 0.009 0.444 251 L N 0.674 121.894 121.223 -0.005 0.000 2.046 251 L HA -0.446 3.893 4.340 -0.002 0.000 0.208 251 L C 1.355 178.266 176.870 0.068 0.000 1.077 251 L CA 3.189 58.031 54.840 0.004 0.000 0.747 251 L CB -0.320 41.709 42.059 -0.050 0.000 0.896 251 L HN -0.402 7.799 8.230 -0.048 0.000 0.432 252 Q N -2.501 117.329 119.800 0.050 0.000 2.084 252 Q HA -0.370 4.012 4.340 0.070 0.000 0.202 252 Q C 2.580 178.647 176.000 0.111 0.000 0.978 252 Q CA 2.562 58.408 55.803 0.070 0.000 0.844 252 Q CB -0.768 28.002 28.738 0.052 0.000 0.898 252 Q HN -0.536 7.745 8.270 0.018 0.000 0.426 253 A N 0.013 122.897 122.820 0.108 0.000 1.902 253 A HA -0.256 4.145 4.320 0.134 0.000 0.217 253 A C 1.929 179.579 177.584 0.110 0.000 1.181 253 A CA 2.886 54.988 52.037 0.109 0.000 0.623 253 A CB -0.887 18.155 19.000 0.071 0.000 0.818 253 A HN -0.215 7.915 8.150 0.083 0.069 0.443 254 F N -0.098 119.841 119.950 -0.019 0.000 2.126 254 F HA -0.368 4.118 4.527 -0.067 0.000 0.299 254 F C 1.337 177.131 175.800 -0.011 0.000 1.096 254 F CA 3.091 61.068 58.000 -0.037 0.000 1.255 254 F CB 0.363 39.339 39.000 -0.041 0.000 0.997 254 F HN -0.007 8.358 8.300 0.248 0.084 0.479 255 I N -1.814 118.964 120.570 0.347 0.000 2.226 255 I HA -0.493 3.866 4.170 0.315 0.000 0.245 255 I C 1.912 178.140 176.117 0.185 0.000 1.100 255 I CA 2.499 63.949 61.300 0.250 0.000 1.374 255 I CB -1.395 36.703 38.000 0.164 0.000 1.057 255 I HN -0.472 7.831 8.210 0.304 0.090 0.413 256 F N 2.048 121.973 119.950 -0.042 0.000 2.134 256 F HA -0.379 4.095 4.527 -0.088 0.000 0.299 256 F C 1.632 177.348 175.800 -0.141 0.000 1.097 256 F CA 2.354 60.289 58.000 -0.109 0.000 1.264 256 F CB -0.425 38.471 39.000 -0.174 0.000 1.001 256 F HN -0.650 7.707 8.300 0.249 0.093 0.479 257 M N -1.869 117.579 119.600 -0.253 0.000 2.117 257 M HA -0.374 3.744 4.480 -0.604 0.000 0.262 257 M C 2.364 178.492 176.300 -0.288 0.000 1.065 257 M CA 2.248 57.287 55.300 -0.435 0.000 1.114 257 M CB -1.204 31.095 32.600 -0.502 0.000 1.361 257 M HN -0.278 7.838 8.290 -0.156 0.080 0.408 258 V N -2.707 117.084 119.914 -0.205 0.000 2.343 258 V HA -0.468 3.565 4.120 -0.145 0.000 0.247 258 V C 1.566 177.649 176.094 -0.018 0.000 1.051 258 V CA 3.898 66.138 62.300 -0.100 0.000 1.036 258 V CB -0.576 31.251 31.823 0.006 0.000 0.654 258 V HN -0.475 7.597 8.190 -0.197 0.000 0.451 259 L N -0.563 120.684 121.223 0.040 0.000 2.046 259 L HA -0.371 4.021 4.340 0.087 0.000 0.208 259 L C 1.819 178.743 176.870 0.090 0.000 1.077 259 L CA 3.122 58.018 54.840 0.094 0.000 0.747 259 L CB -0.352 41.801 42.059 0.156 0.000 0.896 259 L HN -0.501 7.765 8.230 0.059 0.000 0.432 260 T N 0.395 114.959 114.554 0.017 0.000 2.746 260 T HA -0.354 4.010 4.350 0.023 0.000 0.267 260 T C 1.965 176.663 174.700 -0.003 0.000 1.039 260 T CA 4.103 66.183 62.100 -0.034 0.000 1.142 260 T CB -0.088 68.643 68.868 -0.229 0.000 0.866 260 T HN -0.428 7.795 8.240 -0.029 0.000 0.444 261 I N -2.145 118.397 120.570 -0.045 0.000 2.226 261 I HA -0.290 3.866 4.170 -0.024 0.000 0.245 261 I C 0.781 176.915 176.117 0.028 0.000 1.100 261 I CA 3.230 64.516 61.300 -0.024 0.000 1.374 261 I CB -0.571 37.391 38.000 -0.063 0.000 1.057 261 I HN -0.548 7.607 8.210 -0.091 0.000 0.413 262 V N -0.756 119.182 119.914 0.041 0.000 2.407 262 V HA -0.424 3.710 4.120 0.024 0.000 0.248 262 V C 1.836 177.975 176.094 0.076 0.000 1.055 262 V CA 2.851 65.179 62.300 0.047 0.000 1.049 262 V CB 0.348 32.197 31.823 0.044 0.000 0.662 262 V HN -0.547 7.660 8.190 0.030 0.000 0.455 263 Y N -0.013 120.285 120.300 -0.005 0.000 2.181 263 Y HA -0.270 4.284 4.550 0.006 0.000 0.288 263 Y C -0.127 175.771 175.900 -0.002 0.000 1.146 263 Y CA 2.379 60.480 58.100 0.002 0.000 1.164 263 Y CB 0.674 39.140 38.460 0.010 0.000 0.982 263 Y HN -0.799 7.614 8.280 0.222 0.000 0.515 264 L N -1.149 120.234 121.223 0.266 0.000 2.283 264 L HA 0.062 4.535 4.340 0.221 0.000 0.287 264 L C -1.541 175.368 176.870 0.065 0.000 1.073 264 L CA 0.033 54.974 54.840 0.170 0.000 0.822 264 L CB -0.174 41.953 42.059 0.114 0.000 1.186 264 L HN -0.881 7.474 8.230 0.223 0.008 0.436 265 S N 0.000 115.720 115.700 0.033 0.000 2.498 265 S HA 0.000 4.477 4.470 0.012 0.000 0.327 265 S CA 0.000 58.204 58.200 0.007 0.000 1.107 265 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 265 S HN 0.000 8.332 8.310 0.037 0.000 0.517