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 1gbd_1_A DATA FIRST_RESID 15 DATA SEQUENCE NIVGGXXXXX XXXXXXIEYS INXNASLcSG FSVATKGFVT AGHcVNATXA DATA SEQUENCE RIGXXXXXXX XXXXXXGAVV GXTAARVXXF PXXXXGNDRA WVSLTSAQTL DATA SEQUENCE XXXXLTVRGS TXXXEAAVGA AVcRSGRTTX XXXXXXXXXX XGYQcGTITA DATA SEQUENCE KNVTANYXAE GAVRGLTQGN AXXXcAGRGD SGGSWISAXX XXGQAQGVMS DATA SEQUENCE GANVNcGSQR SSLFERLQPI LSQYGLSLVT G 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 15 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 15 N C 0.000 175.494 175.510 -0.027 0.000 1.280 15 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 15 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 16 I N 2.130 122.687 120.570 -0.021 0.000 2.304 16 I HA 0.450 4.619 4.170 -0.001 0.000 0.291 16 I C -0.109 175.975 176.117 -0.055 0.000 1.018 16 I CA -0.644 60.621 61.300 -0.058 0.000 1.260 16 I CB 0.700 38.699 38.000 -0.002 0.000 1.390 16 I HN 0.175 8.385 8.210 -0.000 0.000 0.475 17 V N 4.909 124.763 119.914 -0.099 0.000 2.709 17 V HA 0.573 4.693 4.120 -0.001 0.000 0.308 17 V C 0.673 176.684 176.094 -0.138 0.000 1.062 17 V CA -0.917 61.334 62.300 -0.081 0.000 0.901 17 V CB 2.108 33.891 31.823 -0.066 0.000 1.003 17 V HN 0.886 9.076 8.190 -0.000 0.000 0.425 18 G N 2.270 110.988 108.800 -0.137 0.000 2.305 18 G HA2 0.506 4.465 3.960 -0.001 0.000 0.243 18 G HA3 0.506 4.465 3.960 -0.001 0.000 0.243 18 G C 0.465 175.255 174.900 -0.184 0.000 1.288 18 G CA 0.943 45.897 45.100 -0.243 0.000 0.901 18 G HN 1.733 10.023 8.290 -0.000 0.000 0.516 32 E N 2.476 122.659 120.200 -0.029 0.000 2.383 32 E HA 0.424 4.774 4.350 -0.001 0.000 0.264 32 E C -1.798 174.840 176.600 0.063 0.000 1.050 32 E CA -0.247 56.139 56.400 -0.023 0.000 0.896 32 E CB 0.950 30.623 29.700 -0.045 0.000 0.982 32 E HN 0.556 8.916 8.360 -0.000 0.000 0.424 33 Y N 0.105 120.363 120.300 -0.071 0.000 2.571 33 Y HA 0.519 5.067 4.550 -0.002 0.000 0.341 33 Y C -1.108 174.788 175.900 -0.007 0.000 1.076 33 Y CA -1.129 56.952 58.100 -0.033 0.000 1.029 33 Y CB 0.892 39.345 38.460 -0.012 0.000 1.308 33 Y HN 0.394 8.674 8.280 -0.000 0.000 0.461 34 S N 1.780 117.485 115.700 0.008 0.000 2.638 34 S HA 0.834 5.303 4.470 -0.001 0.000 0.298 34 S C -1.161 173.459 174.600 0.034 0.000 1.111 34 S CA -0.660 57.494 58.200 -0.076 0.000 1.027 34 S CB 1.700 64.885 63.200 -0.025 0.000 1.064 34 S HN 0.568 8.878 8.310 -0.000 0.000 0.525 35 I N 2.474 123.027 120.570 -0.027 0.000 2.418 35 I HA 0.455 4.625 4.170 -0.001 0.000 0.287 35 I C -0.083 176.038 176.117 0.006 0.000 1.008 35 I CA -0.041 61.277 61.300 0.031 0.000 1.104 35 I CB 0.854 38.858 38.000 0.007 0.000 1.264 35 I HN 0.745 8.955 8.210 -0.000 0.000 0.438 39 A N -0.418 122.388 122.820 -0.022 0.000 1.761 39 A HA 0.475 4.794 4.320 -0.001 0.000 0.168 39 A C 0.544 178.100 177.584 -0.047 0.000 1.884 39 A CA 0.382 52.402 52.037 -0.029 0.000 1.217 39 A CB -0.055 18.932 19.000 -0.021 0.000 0.934 39 A HN 0.028 8.178 8.150 -0.000 0.000 0.682 40 S N 0.143 115.807 115.700 -0.061 0.000 2.614 40 S HA 0.627 5.097 4.470 -0.001 0.000 0.265 40 S C -0.449 174.063 174.600 -0.145 0.000 1.303 40 S CA -0.064 58.083 58.200 -0.089 0.000 1.000 40 S CB 0.593 63.741 63.200 -0.088 0.000 0.935 40 S HN 0.364 8.674 8.310 -0.000 0.000 0.551 41 L N 0.934 122.054 121.223 -0.172 0.000 2.346 41 L HA 0.628 4.968 4.340 -0.001 0.000 0.274 41 L C -0.520 176.155 176.870 -0.325 0.000 1.007 41 L CA -0.585 54.104 54.840 -0.251 0.000 0.818 41 L CB 1.633 43.595 42.059 -0.162 0.000 1.284 41 L HN 0.665 8.895 8.230 -0.000 0.000 0.424 42 c N -0.028 118.234 118.600 -0.563 0.000 3.321 42 c HA 0.741 5.310 4.570 -0.001 0.000 0.363 42 c C 0.549 174.423 174.090 -0.361 0.000 1.705 42 c CA -0.187 55.863 56.329 -0.464 0.000 1.298 42 c CB 2.302 44.508 42.510 -0.506 0.000 2.086 42 c HN 0.967 9.197 8.230 -0.000 0.000 0.438 43 S N -0.830 114.834 115.700 -0.059 0.000 4.302 43 S HA 0.771 5.240 4.470 -0.001 0.000 0.218 43 S C 0.653 175.361 174.600 0.180 0.000 1.068 43 S CA 0.420 58.648 58.200 0.047 0.000 1.744 43 S CB 0.682 63.868 63.200 -0.023 0.000 0.931 43 S HN 1.057 9.367 8.310 -0.000 0.000 0.734 44 G N -0.375 108.338 108.800 -0.147 0.000 2.610 44 G HA2 0.525 4.484 3.960 -0.001 0.000 0.171 44 G HA3 0.525 4.484 3.960 -0.001 0.000 0.171 44 G C -1.087 173.369 174.900 -0.739 0.000 1.281 44 G CA -0.071 44.833 45.100 -0.325 0.000 0.691 44 G HN 0.388 8.678 8.290 -0.000 0.000 0.691 45 F N 1.070 121.101 119.950 0.136 0.000 2.608 45 F HA 0.586 5.113 4.527 -0.001 0.000 0.309 45 F C -0.025 175.863 175.800 0.147 0.000 1.103 45 F CA -0.888 57.177 58.000 0.108 0.000 0.954 45 F CB 2.258 41.318 39.000 0.100 0.000 1.267 45 F HN -0.012 8.288 8.300 -0.000 0.000 0.444 46 S N 2.016 117.888 115.700 0.288 0.000 2.533 46 S HA 0.582 5.052 4.470 -0.001 0.000 0.282 46 S C -0.243 174.479 174.600 0.203 0.000 1.304 46 S CA -0.530 57.805 58.200 0.226 0.000 1.063 46 S CB 0.706 63.996 63.200 0.151 0.000 0.881 46 S HN 0.591 8.900 8.310 -0.000 0.000 0.493 47 V N -0.470 119.546 119.914 0.169 0.000 3.181 47 V HA 0.845 4.965 4.120 -0.001 0.000 0.308 47 V C 0.756 176.881 176.094 0.052 0.000 1.214 47 V CA -0.735 61.618 62.300 0.089 0.000 1.053 47 V CB 1.012 32.868 31.823 0.056 0.000 1.069 47 V HN 0.763 8.953 8.190 -0.000 0.000 0.441 48 A N 0.152 122.982 122.820 0.017 0.000 2.298 48 A HA 0.065 4.384 4.320 -0.001 0.000 0.215 48 A C 1.040 178.648 177.584 0.041 0.000 1.193 48 A CA 1.688 53.740 52.037 0.025 0.000 0.697 48 A CB -1.294 17.721 19.000 0.024 0.000 0.774 48 A HN 1.044 9.194 8.150 -0.000 0.000 0.492 49 T N 0.991 115.579 114.554 0.056 0.000 2.856 49 T HA 0.393 4.742 4.350 -0.001 0.000 0.292 49 T C 0.000 174.764 174.700 0.106 0.000 0.980 49 T CA -0.326 61.834 62.100 0.099 0.000 1.091 49 T CB 1.211 70.181 68.868 0.171 0.000 0.936 49 T HN 0.360 8.600 8.240 -0.000 0.000 0.503 50 K N 1.279 121.749 120.400 0.116 0.000 2.118 50 K HA 0.700 5.019 4.320 -0.001 0.000 0.267 50 K C 0.345 177.058 176.600 0.189 0.000 0.991 50 K CA -0.715 55.645 56.287 0.121 0.000 0.916 50 K CB 1.552 34.107 32.500 0.093 0.000 1.041 50 K HN 0.794 9.044 8.250 -0.000 0.000 0.455 51 G N 1.265 110.191 108.800 0.211 0.000 2.600 51 G HA2 0.606 4.565 3.960 -0.001 0.000 0.293 51 G HA3 0.606 4.565 3.960 -0.001 0.000 0.293 51 G C -1.863 173.201 174.900 0.274 0.000 1.408 51 G CA -0.875 44.375 45.100 0.249 0.000 0.782 51 G HN 0.486 8.776 8.290 -0.000 0.000 0.482 52 F N -0.575 119.466 119.950 0.151 0.000 2.588 52 F HA 0.777 5.303 4.527 -0.002 0.000 0.310 52 F C -0.176 175.716 175.800 0.154 0.000 1.082 52 F CA -1.652 56.413 58.000 0.107 0.000 0.929 52 F CB 1.409 40.401 39.000 -0.014 0.000 1.254 52 F HN 0.588 8.889 8.300 -0.000 0.000 0.455 53 V N -0.023 120.144 119.914 0.420 0.000 2.686 53 V HA 0.864 4.984 4.120 -0.001 0.000 0.295 53 V C -0.173 176.162 176.094 0.401 0.000 1.057 53 V CA 0.197 62.716 62.300 0.365 0.000 1.012 53 V CB 0.820 32.868 31.823 0.375 0.000 1.006 53 V HN 1.215 9.405 8.190 -0.000 0.000 0.477 54 T N 1.688 116.428 114.554 0.309 0.000 2.648 54 T HA 0.709 5.059 4.350 -0.001 0.000 0.304 54 T C -0.572 174.248 174.700 0.201 0.000 1.312 54 T CA 0.045 62.319 62.100 0.289 0.000 1.023 54 T CB 1.498 70.605 68.868 0.397 0.000 1.612 54 T HN 1.551 9.791 8.240 -0.000 0.000 0.487 55 A N 0.067 122.954 122.820 0.111 0.000 2.316 55 A HA 0.619 4.939 4.320 -0.001 0.000 0.284 55 A C 1.483 179.035 177.584 -0.054 0.000 1.115 55 A CA 0.307 52.350 52.037 0.010 0.000 0.812 55 A CB 0.217 19.092 19.000 -0.208 0.000 1.064 55 A HN 1.061 9.211 8.150 -0.000 0.000 0.489 56 G N 0.369 109.196 108.800 0.044 0.000 2.422 56 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.218 56 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.218 56 G C 1.205 176.054 174.900 -0.086 0.000 1.140 56 G CA 1.188 46.341 45.100 0.089 0.000 0.775 56 G HN 1.032 9.322 8.290 -0.000 0.000 0.545 57 H N -0.792 117.998 119.070 -0.467 0.000 2.546 57 H HA 0.031 4.586 4.556 -0.001 0.000 0.277 57 H C 2.033 177.132 175.328 -0.381 0.000 1.004 57 H CA 0.941 56.442 56.048 -0.912 0.000 1.231 57 H CB -0.773 27.994 29.762 -1.658 0.000 1.382 57 H HN 0.281 8.561 8.280 -0.000 0.000 0.580 58 c N 1.360 119.679 118.600 -0.469 0.000 2.435 58 c HA 0.066 4.635 4.570 -0.001 0.000 0.279 58 c C 1.407 175.445 174.090 -0.088 0.000 1.321 58 c CA -0.094 56.082 56.329 -0.255 0.000 1.752 58 c CB -0.383 42.032 42.510 -0.158 0.000 1.959 58 c HN 0.253 8.483 8.230 -0.000 0.000 0.500 59 V N 1.887 121.781 119.914 -0.034 0.000 2.546 59 V HA 0.221 4.341 4.120 -0.001 0.000 0.284 59 V C 0.425 176.473 176.094 -0.077 0.000 1.050 59 V CA 0.330 62.583 62.300 -0.078 0.000 0.981 59 V CB 0.703 32.492 31.823 -0.056 0.000 0.990 59 V HN 0.701 8.891 8.190 -0.000 0.000 0.474 60 N N 1.080 119.710 118.700 -0.115 0.000 2.936 60 N HA -0.180 4.559 4.740 -0.001 0.000 0.236 60 N C 0.405 175.868 175.510 -0.077 0.000 0.930 60 N CA 0.649 53.639 53.050 -0.101 0.000 0.966 60 N CB -0.745 37.700 38.487 -0.069 0.000 1.090 60 N HN 0.966 9.346 8.380 -0.000 0.000 0.592 61 A N 0.443 123.223 122.820 -0.067 0.000 2.498 61 A HA 0.424 4.743 4.320 -0.001 0.000 0.239 61 A C 0.950 178.510 177.584 -0.041 0.000 1.068 61 A CA 0.581 52.595 52.037 -0.039 0.000 0.766 61 A CB 0.346 19.334 19.000 -0.020 0.000 1.003 61 A HN 0.213 8.363 8.150 -0.000 0.000 0.497 65 R N 0.935 121.544 120.500 0.182 0.000 2.670 65 R HA 0.783 5.122 4.340 -0.001 0.000 0.289 65 R C -1.203 175.180 176.300 0.140 0.000 0.965 65 R CA -0.624 55.547 56.100 0.118 0.000 0.899 65 R CB 2.218 32.561 30.300 0.071 0.000 1.173 65 R HN 0.627 8.897 8.270 -0.000 0.000 0.456 66 I N 2.282 122.906 120.570 0.091 0.000 2.439 66 I HA 0.364 4.533 4.170 -0.001 0.000 0.283 66 I C 0.485 176.623 176.117 0.035 0.000 1.023 66 I CA -0.202 61.139 61.300 0.068 0.000 1.100 66 I CB 1.871 39.898 38.000 0.044 0.000 1.238 66 I HN 0.888 9.098 8.210 -0.000 0.000 0.445 82 A N 0.740 123.573 122.820 0.020 0.000 2.306 82 A HA 0.740 5.059 4.320 -0.001 0.000 0.314 82 A C 0.182 177.783 177.584 0.030 0.000 1.164 82 A CA -0.369 51.681 52.037 0.020 0.000 0.822 82 A CB 1.442 20.452 19.000 0.016 0.000 1.130 82 A HN 0.658 8.808 8.150 -0.000 0.000 0.496 83 V N 2.979 122.907 119.914 0.023 0.000 2.529 83 V HA 0.126 4.245 4.120 -0.001 0.000 0.292 83 V C 1.376 177.485 176.094 0.025 0.000 1.028 83 V CA 0.893 63.207 62.300 0.024 0.000 1.074 83 V CB 0.808 32.637 31.823 0.010 0.000 0.958 83 V HN 0.984 9.174 8.190 -0.000 0.000 0.481 84 V N 1.840 121.776 119.914 0.036 0.000 3.570 84 V HA 0.791 4.910 4.120 -0.001 0.000 0.257 84 V C 0.715 176.814 176.094 0.010 0.000 1.272 84 V CA 0.857 63.181 62.300 0.039 0.000 1.079 84 V CB 0.090 31.960 31.823 0.079 0.000 0.829 84 V HN 1.087 9.277 8.190 -0.000 0.000 0.454 88 A N 0.867 123.224 122.820 -0.771 0.000 1.998 88 A HA 0.931 5.250 4.320 -0.001 0.000 0.180 88 A C 0.517 177.785 177.584 -0.527 0.000 1.858 88 A CA 1.120 52.683 52.037 -0.790 0.000 1.403 88 A CB 0.111 18.198 19.000 -1.521 0.000 1.550 88 A HN 1.973 10.123 8.150 -0.000 0.000 0.385 89 A N -0.259 122.231 122.820 -0.550 0.000 2.608 89 A HA 0.796 5.115 4.320 -0.001 0.000 0.292 89 A C -1.054 176.454 177.584 -0.127 0.000 1.066 89 A CA -0.150 51.745 52.037 -0.237 0.000 0.676 89 A CB 1.097 19.960 19.000 -0.229 0.000 1.277 89 A HN 1.316 9.466 8.150 -0.000 0.000 0.413 90 R N -0.796 119.756 120.500 0.087 0.000 2.712 90 R HA 0.856 5.196 4.340 -0.001 0.000 0.272 90 R C -1.556 174.894 176.300 0.251 0.000 1.032 90 R CA -0.606 55.603 56.100 0.182 0.000 0.874 90 R CB 0.791 31.155 30.300 0.107 0.000 1.256 90 R HN 0.943 9.213 8.270 -0.000 0.000 0.468 101 N N 0.563 119.294 118.700 0.051 0.000 2.815 101 N HA 0.590 5.329 4.740 -0.001 0.000 0.315 101 N C -1.827 173.841 175.510 0.264 0.000 1.320 101 N CA -0.270 52.852 53.050 0.120 0.000 0.846 101 N CB 2.029 40.584 38.487 0.113 0.000 1.344 101 N HN 0.224 8.604 8.380 -0.000 0.000 0.593 102 D N 0.227 120.816 120.400 0.314 0.000 2.381 102 D HA 0.230 4.870 4.640 -0.001 0.000 0.245 102 D C -1.165 175.322 176.300 0.312 0.000 1.297 102 D CA -0.361 53.909 54.000 0.450 0.000 0.931 102 D CB 0.424 41.545 40.800 0.535 0.000 1.334 102 D HN 0.565 8.935 8.370 -0.000 0.000 0.535 103 R N 0.828 121.505 120.500 0.294 0.000 2.680 103 R HA 0.955 5.294 4.340 -0.001 0.000 0.269 103 R C -1.625 174.850 176.300 0.292 0.000 1.026 103 R CA -1.175 55.096 56.100 0.284 0.000 0.889 103 R CB 1.533 32.012 30.300 0.298 0.000 1.241 103 R HN 0.116 8.386 8.270 -0.000 0.000 0.463 104 A N 1.584 124.567 122.820 0.271 0.000 2.601 104 A HA 0.722 5.042 4.320 -0.001 0.000 0.291 104 A C -2.147 175.538 177.584 0.169 0.000 1.075 104 A CA -0.753 51.383 52.037 0.166 0.000 0.671 104 A CB 1.678 20.708 19.000 0.050 0.000 1.277 104 A HN 0.838 8.988 8.150 -0.000 0.000 0.417 105 W N 0.541 121.691 121.300 -0.250 0.000 3.127 105 W HA 0.688 5.348 4.660 -0.000 0.000 0.330 105 W C -2.397 173.872 176.519 -0.417 0.000 1.187 105 W CA -1.051 56.111 57.345 -0.306 0.000 1.198 105 W CB 0.803 30.097 29.460 -0.276 0.000 1.408 105 W HN 0.575 8.755 8.180 -0.000 0.000 0.529 106 V N 3.443 122.942 119.914 -0.692 0.000 2.448 106 V HA 0.336 4.455 4.120 -0.001 0.000 0.295 106 V C 0.283 175.939 176.094 -0.730 0.000 1.025 106 V CA -0.634 61.122 62.300 -0.907 0.000 0.859 106 V CB 1.430 32.450 31.823 -1.339 0.000 0.988 106 V HN 0.537 8.727 8.190 -0.000 0.000 0.431 107 S N 5.992 121.242 115.700 -0.750 0.000 2.480 107 S HA 0.786 5.255 4.470 -0.001 0.000 0.286 107 S C -0.566 173.902 174.600 -0.220 0.000 1.180 107 S CA -0.715 57.249 58.200 -0.393 0.000 1.075 107 S CB 1.121 64.071 63.200 -0.416 0.000 0.996 107 S HN 0.481 8.791 8.310 -0.000 0.000 0.487 108 L N 2.525 123.705 121.223 -0.070 0.000 2.375 108 L HA 0.520 4.859 4.340 -0.001 0.000 0.268 108 L C 1.176 178.044 176.870 -0.003 0.000 1.058 108 L CA -0.922 53.905 54.840 -0.022 0.000 0.803 108 L CB 1.411 43.502 42.059 0.053 0.000 1.212 108 L HN 0.883 9.113 8.230 -0.000 0.000 0.451 109 T N -2.471 112.083 114.554 0.001 0.000 2.788 109 T HA 0.084 4.433 4.350 -0.001 0.000 0.287 109 T C 1.077 175.789 174.700 0.021 0.000 1.007 109 T CA -0.554 61.549 62.100 0.006 0.000 1.005 109 T CB 0.998 69.867 68.868 0.003 0.000 1.012 109 T HN 0.570 8.810 8.240 -0.000 0.000 0.530 110 S N 0.719 116.431 115.700 0.019 0.000 2.442 110 S HA 0.007 4.476 4.470 -0.001 0.000 0.236 110 S C 2.327 176.940 174.600 0.022 0.000 1.007 110 S CA 0.618 58.831 58.200 0.023 0.000 0.965 110 S CB -0.779 62.432 63.200 0.018 0.000 0.773 110 S HN 0.900 9.210 8.310 -0.000 0.000 0.504 111 A N 0.882 123.713 122.820 0.019 0.000 2.121 111 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 111 A C 1.106 178.703 177.584 0.022 0.000 1.154 111 A CA 0.649 52.696 52.037 0.018 0.000 0.679 111 A CB -0.090 18.918 19.000 0.014 0.000 0.795 111 A HN 0.333 8.483 8.150 -0.000 0.000 0.458 112 Q N 0.300 120.118 119.800 0.030 0.000 2.299 112 Q HA 0.350 4.690 4.340 -0.001 0.000 0.246 112 Q C -0.771 175.250 176.000 0.036 0.000 0.935 112 Q CA 0.327 56.152 55.803 0.036 0.000 0.887 112 Q CB 0.562 29.333 28.738 0.055 0.000 1.223 112 Q HN 0.187 8.457 8.270 -0.000 0.000 0.439 113 T N 2.729 117.302 114.554 0.031 0.000 2.788 113 T HA 0.489 4.838 4.350 -0.001 0.000 0.296 113 T C 0.547 175.268 174.700 0.034 0.000 1.009 113 T CA -0.496 61.621 62.100 0.028 0.000 0.949 113 T CB 0.440 69.318 68.868 0.017 0.000 0.946 113 T HN 0.259 8.499 8.240 -0.000 0.000 0.453 120 T N 1.173 115.745 114.554 0.030 0.000 2.824 120 T HA 0.543 4.892 4.350 -0.001 0.000 0.280 120 T C -0.536 174.201 174.700 0.061 0.000 0.995 120 T CA -0.410 61.714 62.100 0.040 0.000 1.009 120 T CB 1.933 70.815 68.868 0.024 0.000 0.955 120 T HN 0.195 8.435 8.240 -0.000 0.000 0.452 121 V N 4.935 124.894 119.914 0.076 0.000 2.432 121 V HA 0.245 4.365 4.120 -0.001 0.000 0.271 121 V C 1.152 177.263 176.094 0.029 0.000 1.046 121 V CA -0.357 61.986 62.300 0.072 0.000 0.945 121 V CB 0.849 32.737 31.823 0.107 0.000 0.992 121 V HN 0.764 8.954 8.190 -0.000 0.000 0.471 122 R N 3.100 123.607 120.500 0.012 0.000 2.250 122 R HA 0.427 4.766 4.340 -0.001 0.000 0.194 122 R C 0.745 177.035 176.300 -0.017 0.000 0.927 122 R CA 0.779 56.879 56.100 0.001 0.000 1.052 122 R CB 0.871 31.175 30.300 0.007 0.000 1.055 122 R HN 0.844 9.114 8.270 -0.000 0.000 0.537 123 G N -0.426 108.350 108.800 -0.040 0.000 2.348 123 G HA2 0.122 4.081 3.960 -0.001 0.000 0.296 123 G HA3 0.122 4.081 3.960 -0.001 0.000 0.296 123 G C -1.193 173.651 174.900 -0.092 0.000 1.258 123 G CA 0.021 45.087 45.100 -0.056 0.000 0.868 123 G HN 0.002 8.292 8.290 -0.000 0.000 0.488 124 S N -0.417 115.234 115.700 -0.082 0.000 2.740 124 S HA 0.471 4.940 4.470 -0.001 0.000 0.244 124 S C 0.473 175.047 174.600 -0.044 0.000 1.101 124 S CA 0.380 58.523 58.200 -0.095 0.000 1.123 124 S CB 0.229 63.354 63.200 -0.125 0.000 1.012 124 S HN 0.764 9.074 8.310 -0.000 0.000 0.491 130 A N 2.280 125.147 122.820 0.079 0.000 2.286 130 A HA 0.840 5.160 4.320 -0.001 0.000 0.286 130 A C 0.089 177.718 177.584 0.074 0.000 1.097 130 A CA 0.308 52.391 52.037 0.076 0.000 0.821 130 A CB 1.006 20.064 19.000 0.097 0.000 1.076 130 A HN 0.628 8.778 8.150 -0.000 0.000 0.490 131 A N 0.575 123.430 122.820 0.057 0.000 2.257 131 A HA 0.582 4.901 4.320 -0.001 0.000 0.289 131 A C 0.270 177.884 177.584 0.051 0.000 1.095 131 A CA -0.440 51.623 52.037 0.044 0.000 0.836 131 A CB 0.012 19.031 19.000 0.031 0.000 1.111 131 A HN 1.082 9.232 8.150 -0.000 0.000 0.497 132 V N 0.461 120.395 119.914 0.035 0.000 2.763 132 V HA 0.391 4.510 4.120 -0.001 0.000 0.306 132 V C 1.671 177.790 176.094 0.041 0.000 1.059 132 V CA 1.924 64.246 62.300 0.036 0.000 1.138 132 V CB 0.334 32.166 31.823 0.015 0.000 0.940 132 V HN 1.953 10.143 8.190 -0.000 0.000 0.489 133 G N 3.077 111.908 108.800 0.051 0.000 2.258 133 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.233 133 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.233 133 G C 0.501 175.436 174.900 0.058 0.000 1.006 133 G CA 0.211 45.340 45.100 0.048 0.000 0.620 133 G HN 1.573 9.863 8.290 -0.000 0.000 0.511 134 A N 0.629 123.490 122.820 0.069 0.000 2.445 134 A HA 0.788 5.108 4.320 -0.001 0.000 0.242 134 A C 0.901 178.540 177.584 0.091 0.000 1.075 134 A CA 1.160 53.242 52.037 0.075 0.000 0.777 134 A CB 0.449 19.498 19.000 0.081 0.000 1.013 134 A HN 2.116 10.266 8.150 -0.000 0.000 0.493 135 A N 1.002 123.869 122.820 0.078 0.000 2.340 135 A HA 0.602 4.921 4.320 -0.001 0.000 0.268 135 A C -0.081 177.556 177.584 0.089 0.000 1.100 135 A CA -0.169 51.914 52.037 0.077 0.000 0.803 135 A CB 0.601 19.634 19.000 0.056 0.000 1.043 135 A HN 2.030 10.181 8.150 -0.000 0.000 0.488 136 V N 1.518 121.485 119.914 0.090 0.000 3.120 136 V HA 0.578 4.697 4.120 -0.001 0.000 0.303 136 V C -0.879 175.188 176.094 -0.044 0.000 1.238 136 V CA -0.491 61.860 62.300 0.085 0.000 1.008 136 V CB 1.850 33.805 31.823 0.221 0.000 1.064 136 V HN 1.214 9.404 8.190 -0.000 0.000 0.434 137 c N 3.669 122.159 118.600 -0.182 0.000 2.913 137 c HA 0.962 5.531 4.570 -0.001 0.000 0.322 137 c C -0.407 173.265 174.090 -0.695 0.000 1.292 137 c CA -0.829 55.189 56.329 -0.518 0.000 1.649 137 c CB 1.974 44.050 42.510 -0.725 0.000 2.139 137 c HN 1.082 9.312 8.230 -0.000 0.000 0.475 138 R N 0.264 120.174 120.500 -0.984 0.000 2.740 138 R HA 0.821 5.160 4.340 -0.001 0.000 0.273 138 R C -1.210 174.682 176.300 -0.680 0.000 0.998 138 R CA -0.253 55.230 56.100 -1.028 0.000 0.900 138 R CB 1.594 30.822 30.300 -1.786 0.000 1.223 138 R HN 0.574 8.844 8.270 -0.000 0.000 0.466 139 S N 0.203 115.661 115.700 -0.403 0.000 2.557 139 S HA 0.865 5.335 4.470 -0.001 0.000 0.291 139 S C -0.916 173.595 174.600 -0.149 0.000 1.116 139 S CA -0.186 57.914 58.200 -0.166 0.000 0.992 139 S CB 1.617 64.818 63.200 0.002 0.000 1.028 139 S HN 0.963 9.273 8.310 -0.000 0.000 0.484 140 G N 2.547 111.286 108.800 -0.101 0.000 2.623 140 G HA2 0.434 4.393 3.960 -0.001 0.000 0.290 140 G HA3 0.434 4.393 3.960 -0.001 0.000 0.290 140 G C -0.112 174.753 174.900 -0.058 0.000 1.437 140 G CA -0.816 44.236 45.100 -0.078 0.000 0.798 140 G HN 0.683 8.973 8.290 -0.000 0.000 0.488 141 R N -1.002 119.465 120.500 -0.054 0.000 2.235 141 R HA 0.135 4.474 4.340 -0.001 0.000 0.213 141 R C 1.527 177.802 176.300 -0.043 0.000 1.059 141 R CA 2.128 58.199 56.100 -0.049 0.000 0.997 141 R CB -0.847 29.419 30.300 -0.057 0.000 0.884 141 R HN 0.360 8.630 8.270 -0.000 0.000 0.462 142 T N -0.220 114.310 114.554 -0.041 0.000 2.904 142 T HA 0.039 4.388 4.350 -0.001 0.000 0.243 142 T C 0.843 175.525 174.700 -0.030 0.000 1.024 142 T CA 1.216 63.296 62.100 -0.033 0.000 1.158 142 T CB -0.127 68.724 68.868 -0.029 0.000 0.867 142 T HN 0.583 8.823 8.240 -0.000 0.000 0.429 157 Y N 2.324 122.560 120.300 -0.107 0.000 2.367 157 Y HA 0.679 5.228 4.550 -0.001 0.000 0.342 157 Y C -0.285 175.538 175.900 -0.128 0.000 0.979 157 Y CA -0.341 57.681 58.100 -0.130 0.000 1.161 157 Y CB 1.074 39.474 38.460 -0.101 0.000 1.155 157 Y HN 0.270 8.550 8.280 -0.000 0.000 0.503 158 Q N 5.131 124.664 119.800 -0.444 0.000 2.375 158 Q HA 0.509 4.848 4.340 -0.001 0.000 0.271 158 Q C -1.207 174.521 176.000 -0.453 0.000 1.074 158 Q CA -0.575 55.032 55.803 -0.326 0.000 0.808 158 Q CB 2.276 30.864 28.738 -0.249 0.000 1.327 158 Q HN 0.733 9.003 8.270 -0.000 0.000 0.441 159 c N 0.127 118.567 118.600 -0.267 0.000 2.667 159 c HA 1.038 5.607 4.570 -0.001 0.000 0.323 159 c C 0.753 174.787 174.090 -0.093 0.000 1.214 159 c CA -0.250 55.953 56.329 -0.210 0.000 1.721 159 c CB 1.702 44.142 42.510 -0.116 0.000 2.275 159 c HN 1.025 9.255 8.230 -0.000 0.000 0.491 160 G N 0.585 109.367 108.800 -0.030 0.000 2.510 160 G HA2 0.742 4.701 3.960 -0.001 0.000 0.277 160 G HA3 0.742 4.701 3.960 -0.001 0.000 0.277 160 G C -1.025 173.929 174.900 0.090 0.000 1.223 160 G CA 0.339 45.465 45.100 0.043 0.000 0.887 160 G HN 0.961 9.251 8.290 -0.000 0.000 0.485 161 T N -1.802 112.829 114.554 0.128 0.000 2.896 161 T HA 0.699 5.048 4.350 -0.001 0.000 0.297 161 T C -0.417 174.391 174.700 0.179 0.000 1.108 161 T CA -0.626 61.555 62.100 0.135 0.000 1.004 161 T CB 1.739 70.661 68.868 0.090 0.000 1.159 161 T HN 0.560 8.800 8.240 -0.000 0.000 0.499 162 I N 2.739 123.415 120.570 0.176 0.000 2.471 162 I HA 0.201 4.370 4.170 -0.001 0.000 0.286 162 I C 1.660 177.831 176.117 0.090 0.000 1.079 162 I CA -0.220 61.177 61.300 0.163 0.000 1.398 162 I CB 1.345 39.445 38.000 0.166 0.000 1.403 162 I HN 1.046 9.256 8.210 -0.000 0.000 0.530 163 T N 1.910 116.501 114.554 0.062 0.000 2.990 163 T HA 0.586 4.935 4.350 -0.001 0.000 0.250 163 T C 0.338 175.038 174.700 0.001 0.000 1.041 163 T CA 0.071 62.191 62.100 0.034 0.000 1.010 163 T CB 0.545 69.438 68.868 0.041 0.000 1.003 163 T HN 0.687 8.927 8.240 -0.000 0.000 0.499 164 A N 0.318 123.121 122.820 -0.029 0.000 2.583 164 A HA 0.670 4.989 4.320 -0.001 0.000 0.292 164 A C -1.698 175.822 177.584 -0.106 0.000 1.045 164 A CA -1.126 50.878 52.037 -0.055 0.000 0.672 164 A CB 1.168 20.136 19.000 -0.053 0.000 1.283 164 A HN 0.189 8.339 8.150 -0.000 0.000 0.419 165 K N 0.637 120.974 120.400 -0.105 0.000 2.400 165 K HA 0.554 4.873 4.320 -0.001 0.000 0.246 165 K C -0.179 176.349 176.600 -0.121 0.000 0.995 165 K CA -1.056 55.145 56.287 -0.143 0.000 0.840 165 K CB 1.397 33.832 32.500 -0.109 0.000 1.293 165 K HN 0.797 9.047 8.250 -0.000 0.000 0.445 166 N N 0.779 119.397 118.700 -0.137 0.000 2.714 166 N HA -0.156 4.583 4.740 -0.001 0.000 0.253 166 N C -1.087 174.360 175.510 -0.105 0.000 1.024 166 N CA 0.225 53.209 53.050 -0.112 0.000 0.726 166 N CB -0.565 37.874 38.487 -0.081 0.000 0.908 166 N HN 0.228 8.608 8.380 -0.000 0.000 0.542 167 V N 0.956 120.793 119.914 -0.128 0.000 2.686 167 V HA 0.281 4.400 4.120 -0.001 0.000 0.295 167 V C 1.000 177.021 176.094 -0.121 0.000 1.057 167 V CA -0.122 62.108 62.300 -0.116 0.000 1.012 167 V CB 1.853 33.601 31.823 -0.124 0.000 1.006 167 V HN 0.181 8.371 8.190 -0.000 0.000 0.477 168 T N 3.869 118.354 114.554 -0.115 0.000 2.795 168 T HA 0.640 4.989 4.350 -0.001 0.000 0.282 168 T C 0.021 174.613 174.700 -0.181 0.000 0.980 168 T CA -0.193 61.824 62.100 -0.139 0.000 1.012 168 T CB 1.352 70.150 68.868 -0.115 0.000 0.936 168 T HN 0.938 9.178 8.240 -0.000 0.000 0.457 169 A N 3.783 126.431 122.820 -0.287 0.000 2.304 169 A HA 0.632 4.952 4.320 -0.001 0.000 0.323 169 A C -0.060 177.212 177.584 -0.520 0.000 1.195 169 A CA -0.901 50.867 52.037 -0.449 0.000 0.826 169 A CB 0.491 19.012 19.000 -0.797 0.000 1.184 169 A HN 0.743 8.893 8.150 -0.000 0.000 0.496 170 N N 2.291 120.785 118.700 -0.343 0.000 2.609 170 N HA 0.328 5.067 4.740 -0.001 0.000 0.234 170 N C -1.256 174.202 175.510 -0.087 0.000 1.001 170 N CA 0.115 53.042 53.050 -0.206 0.000 0.926 170 N CB 0.619 39.051 38.487 -0.092 0.000 1.130 170 N HN 0.568 8.948 8.380 -0.000 0.000 0.510 174 E N 0.369 120.645 120.200 0.126 0.000 2.358 174 E HA 0.413 4.762 4.350 -0.001 0.000 0.195 174 E C 0.961 177.533 176.600 -0.048 0.000 1.010 174 E CA 1.207 57.636 56.400 0.050 0.000 0.856 174 E CB 0.273 30.013 29.700 0.067 0.000 0.795 174 E HN 1.224 9.584 8.360 -0.000 0.000 0.504 175 G N -0.678 108.098 108.800 -0.041 0.000 2.347 175 G HA2 0.341 4.300 3.960 -0.001 0.000 0.321 175 G HA3 0.341 4.300 3.960 -0.001 0.000 0.321 175 G C -1.206 173.621 174.900 -0.122 0.000 1.412 175 G CA -0.709 44.334 45.100 -0.095 0.000 0.990 175 G HN 0.243 8.533 8.290 -0.000 0.000 0.637 176 A N -0.865 121.874 122.820 -0.135 0.000 2.407 176 A HA 0.714 5.033 4.320 -0.001 0.000 0.248 176 A C 0.196 177.668 177.584 -0.186 0.000 1.082 176 A CA -0.065 51.869 52.037 -0.172 0.000 0.785 176 A CB 0.981 19.903 19.000 -0.130 0.000 1.020 176 A HN 1.757 9.907 8.150 -0.000 0.000 0.489 177 V N 3.586 123.367 119.914 -0.222 0.000 2.531 177 V HA 0.438 4.557 4.120 -0.001 0.000 0.301 177 V C 0.162 176.178 176.094 -0.131 0.000 1.034 177 V CA -0.556 61.666 62.300 -0.130 0.000 0.865 177 V CB 1.473 33.275 31.823 -0.036 0.000 0.995 177 V HN 1.021 9.211 8.190 -0.000 0.000 0.424 178 R N 2.328 122.779 120.500 -0.083 0.000 2.828 178 R HA 0.700 5.039 4.340 -0.001 0.000 0.264 178 R C 0.984 177.242 176.300 -0.070 0.000 1.022 178 R CA -0.199 55.851 56.100 -0.083 0.000 1.021 178 R CB 1.516 31.774 30.300 -0.069 0.000 1.163 178 R HN 1.026 9.296 8.270 -0.000 0.000 0.494 179 G N 0.700 109.449 108.800 -0.084 0.000 2.143 179 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.249 179 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.249 179 G C -0.022 174.801 174.900 -0.128 0.000 0.981 179 G CA -0.142 44.905 45.100 -0.088 0.000 0.665 179 G HN 0.313 8.603 8.290 -0.000 0.000 0.528 180 L N 0.898 122.028 121.223 -0.156 0.000 2.395 180 L HA 0.523 4.862 4.340 -0.001 0.000 0.269 180 L C 0.873 177.522 176.870 -0.369 0.000 1.133 180 L CA -0.379 54.316 54.840 -0.243 0.000 0.812 180 L CB 1.062 43.011 42.059 -0.182 0.000 1.125 180 L HN 0.115 8.345 8.230 -0.000 0.000 0.452 181 T N 1.547 115.690 114.554 -0.685 0.000 2.907 181 T HA 0.279 4.628 4.350 -0.001 0.000 0.284 181 T C -0.398 173.832 174.700 -0.783 0.000 1.004 181 T CA -0.477 61.135 62.100 -0.813 0.000 1.063 181 T CB 1.613 69.716 68.868 -1.275 0.000 0.992 181 T HN 0.508 8.748 8.240 -0.000 0.000 0.483 182 Q N 1.006 120.560 119.800 -0.410 0.000 2.312 182 Q HA 0.642 4.981 4.340 -0.001 0.000 0.263 182 Q C -0.568 175.400 176.000 -0.054 0.000 0.995 182 Q CA -0.758 54.925 55.803 -0.200 0.000 0.853 182 Q CB 1.331 30.009 28.738 -0.100 0.000 1.300 182 Q HN 0.875 9.145 8.270 -0.000 0.000 0.448 183 G N 1.642 110.498 108.800 0.093 0.000 2.630 183 G HA2 0.317 4.276 3.960 -0.001 0.000 0.296 183 G HA3 0.317 4.276 3.960 -0.001 0.000 0.296 183 G C -0.535 174.539 174.900 0.290 0.000 1.285 183 G CA -0.826 44.450 45.100 0.294 0.000 0.958 183 G HN 0.800 9.090 8.290 -0.000 0.000 0.479 184 N N -0.908 117.939 118.700 0.246 0.000 2.235 184 N HA 0.386 5.125 4.740 -0.001 0.000 0.231 184 N C 0.630 176.225 175.510 0.141 0.000 1.177 184 N CA 0.145 53.297 53.050 0.170 0.000 0.874 184 N CB 0.687 39.239 38.487 0.107 0.000 1.097 184 N HN 0.619 8.999 8.380 -0.000 0.000 0.518 190 A N 0.263 123.094 122.820 0.018 0.000 2.586 190 A HA 1.025 5.344 4.320 -0.001 0.000 0.290 190 A C -0.452 177.148 177.584 0.028 0.000 1.086 190 A CA 0.185 52.230 52.037 0.014 0.000 0.665 190 A CB 0.870 19.917 19.000 0.078 0.000 1.279 190 A HN 2.923 11.073 8.150 -0.000 0.000 0.423 191 G N -0.370 108.441 108.800 0.018 0.000 2.694 191 G HA2 0.596 4.556 3.960 -0.001 0.000 0.290 191 G HA3 0.596 4.556 3.960 -0.001 0.000 0.290 191 G C -1.021 173.887 174.900 0.013 0.000 1.386 191 G CA -0.971 44.138 45.100 0.014 0.000 0.872 191 G HN 0.779 9.069 8.290 -0.000 0.000 0.475 192 R N -0.408 120.094 120.500 0.004 0.000 2.502 192 R HA 0.364 4.703 4.340 -0.001 0.000 0.292 192 R C 1.332 177.623 176.300 -0.015 0.000 0.998 192 R CA 1.737 57.834 56.100 -0.005 0.000 1.056 192 R CB 0.475 30.765 30.300 -0.015 0.000 0.939 192 R HN 1.356 9.626 8.270 -0.000 0.000 0.411 193 G N 2.438 111.228 108.800 -0.018 0.000 2.278 193 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.210 193 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.210 193 G C 0.502 175.378 174.900 -0.040 0.000 1.000 193 G CA 0.022 45.095 45.100 -0.045 0.000 0.635 193 G HN 0.607 8.897 8.290 -0.000 0.000 0.495 194 D N 1.386 121.782 120.400 -0.008 0.000 2.317 194 D HA 0.169 4.809 4.640 -0.001 0.000 0.211 194 D C 1.442 177.768 176.300 0.043 0.000 0.966 194 D CA 0.857 54.858 54.000 0.002 0.000 0.876 194 D CB -0.027 40.777 40.800 0.007 0.000 0.927 194 D HN 0.385 8.755 8.370 -0.000 0.000 0.519 195 S N -0.532 115.207 115.700 0.066 0.000 2.573 195 S HA 0.258 4.727 4.470 -0.001 0.000 0.297 195 S C 1.599 176.222 174.600 0.039 0.000 1.280 195 S CA 0.809 59.064 58.200 0.091 0.000 1.061 195 S CB 0.831 64.063 63.200 0.052 0.000 0.812 195 S HN 0.479 8.789 8.310 -0.000 0.000 0.500 196 G N 2.208 111.064 108.800 0.093 0.000 2.241 196 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.244 196 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.244 196 G C 0.435 175.406 174.900 0.120 0.000 0.998 196 G CA -0.061 45.115 45.100 0.127 0.000 0.621 196 G HN 1.151 9.441 8.290 -0.000 0.000 0.519 197 G N 0.396 109.244 108.800 0.081 0.000 2.606 197 G HA2 0.525 4.484 3.960 -0.001 0.000 0.252 197 G HA3 0.525 4.484 3.960 -0.001 0.000 0.252 197 G C 0.509 175.394 174.900 -0.024 0.000 1.206 197 G CA 0.797 45.883 45.100 -0.024 0.000 0.861 197 G HN 1.128 9.418 8.290 -0.000 0.000 0.561 198 S N -0.616 114.943 115.700 -0.235 0.000 2.562 198 S HA 0.233 4.702 4.470 -0.001 0.000 0.281 198 S C -1.108 173.450 174.600 -0.071 0.000 1.333 198 S CA 0.012 58.023 58.200 -0.316 0.000 1.052 198 S CB 0.731 63.588 63.200 -0.572 0.000 0.884 198 S HN 0.482 8.792 8.310 -0.000 0.000 0.506 199 W N 2.001 123.255 121.300 -0.077 0.000 2.600 199 W HA 0.771 5.431 4.660 -0.001 0.000 0.325 199 W C 0.075 176.569 176.519 -0.041 0.000 1.034 199 W CA -0.472 56.731 57.345 -0.236 0.000 1.226 199 W CB 0.935 29.957 29.460 -0.731 0.000 1.379 199 W HN 0.612 8.792 8.180 -0.000 0.000 0.466 200 I N 1.019 121.669 120.570 0.134 0.000 3.627 200 I HA 0.258 4.427 4.170 -0.001 0.000 0.303 200 I C 0.960 177.131 176.117 0.091 0.000 1.209 200 I CA -0.414 60.981 61.300 0.159 0.000 1.132 200 I CB 1.081 39.232 38.000 0.251 0.000 1.290 200 I HN 0.281 8.491 8.210 -0.000 0.000 0.437 201 S N 1.008 116.762 115.700 0.089 0.000 2.483 201 S HA 0.431 4.900 4.470 -0.001 0.000 0.221 201 S C 0.829 175.470 174.600 0.068 0.000 1.030 201 S CA 0.241 58.498 58.200 0.094 0.000 0.925 201 S CB -0.076 63.172 63.200 0.081 0.000 0.795 201 S HN 0.698 9.008 8.310 -0.000 0.000 0.511 208 Q N 1.323 121.143 119.800 0.033 0.000 2.349 208 Q HA 0.602 4.941 4.340 -0.001 0.000 0.254 208 Q C 0.344 176.337 176.000 -0.011 0.000 0.980 208 Q CA -0.248 55.554 55.803 -0.001 0.000 0.924 208 Q CB 1.678 30.422 28.738 0.010 0.000 1.209 208 Q HN 0.420 8.690 8.270 -0.000 0.000 0.445 209 A N 3.463 126.212 122.820 -0.118 0.000 2.522 209 A HA 0.050 4.369 4.320 -0.001 0.000 0.256 209 A C 0.867 178.370 177.584 -0.134 0.000 1.086 209 A CA 0.034 51.912 52.037 -0.266 0.000 0.763 209 A CB 0.305 18.764 19.000 -0.901 0.000 1.024 209 A HN 0.589 8.739 8.150 -0.000 0.000 0.502 210 Q N 1.711 121.520 119.800 0.015 0.000 2.304 210 Q HA 0.296 4.635 4.340 -0.001 0.000 0.204 210 Q C 0.993 177.078 176.000 0.142 0.000 0.936 210 Q CA 1.268 57.103 55.803 0.053 0.000 0.878 210 Q CB 0.459 29.158 28.738 -0.065 0.000 0.983 210 Q HN 1.131 9.401 8.270 -0.000 0.000 0.516 211 G N -0.177 108.729 108.800 0.177 0.000 2.323 211 G HA2 0.354 4.314 3.960 -0.001 0.000 0.291 211 G HA3 0.354 4.314 3.960 -0.001 0.000 0.291 211 G C -1.663 173.485 174.900 0.412 0.000 1.278 211 G CA -0.209 45.096 45.100 0.342 0.000 0.860 211 G HN 0.172 8.462 8.290 -0.000 0.000 0.504 212 V N -2.743 117.404 119.914 0.388 0.000 2.604 212 V HA 0.826 4.946 4.120 -0.001 0.000 0.305 212 V C 0.307 176.629 176.094 0.379 0.000 1.043 212 V CA -0.912 61.612 62.300 0.373 0.000 0.888 212 V CB 1.562 33.568 31.823 0.305 0.000 0.995 212 V HN 1.220 9.410 8.190 -0.000 0.000 0.429 213 M N 3.928 123.819 119.600 0.485 0.000 2.290 213 M HA 0.194 4.673 4.480 -0.001 0.000 0.356 213 M C 1.063 177.575 176.300 0.354 0.000 1.448 213 M CA 1.418 57.030 55.300 0.520 0.000 0.993 213 M CB 0.853 33.730 32.600 0.462 0.000 1.934 213 M HN 1.106 9.396 8.290 -0.000 0.000 0.461 214 S N 2.633 118.543 115.700 0.349 0.000 2.655 214 S HA 0.648 5.118 4.470 -0.001 0.000 0.231 214 S C 0.414 175.208 174.600 0.323 0.000 1.044 214 S CA 0.355 58.778 58.200 0.371 0.000 0.910 214 S CB 0.082 63.504 63.200 0.370 0.000 0.833 214 S HN 0.964 9.274 8.310 -0.000 0.000 0.581 215 G N -0.242 108.741 108.800 0.304 0.000 2.600 215 G HA2 0.710 4.670 3.960 -0.001 0.000 0.293 215 G HA3 0.710 4.670 3.960 -0.001 0.000 0.293 215 G C -1.590 173.451 174.900 0.234 0.000 1.408 215 G CA 0.004 45.236 45.100 0.220 0.000 0.782 215 G HN 0.939 9.229 8.290 -0.000 0.000 0.482 216 A N -0.292 122.637 122.820 0.182 0.000 2.586 216 A HA 0.669 4.988 4.320 -0.001 0.000 0.290 216 A C -0.909 176.748 177.584 0.122 0.000 1.086 216 A CA -0.550 51.583 52.037 0.160 0.000 0.665 216 A CB 1.271 20.365 19.000 0.157 0.000 1.279 216 A HN 1.406 9.556 8.150 -0.000 0.000 0.423 217 N N 1.293 120.053 118.700 0.101 0.000 2.895 217 N HA 0.196 4.935 4.740 -0.001 0.000 0.277 217 N C 0.057 175.603 175.510 0.060 0.000 1.185 217 N CA 0.043 53.138 53.050 0.076 0.000 1.106 217 N CB 0.593 39.118 38.487 0.063 0.000 1.422 217 N HN 0.676 9.056 8.380 -0.000 0.000 0.521 218 V N 2.276 122.223 119.914 0.055 0.000 3.287 218 V HA -0.052 4.067 4.120 -0.001 0.000 0.306 218 V C 1.269 177.382 176.094 0.030 0.000 1.103 218 V CA -0.074 62.249 62.300 0.039 0.000 1.159 218 V CB -0.080 31.761 31.823 0.029 0.000 1.036 218 V HN 0.862 9.052 8.190 -0.000 0.000 0.487 219 N N 2.402 121.109 118.700 0.011 0.000 2.294 219 N HA -0.140 4.600 4.740 -0.001 0.000 0.218 219 N C 0.930 176.454 175.510 0.024 0.000 1.183 219 N CA 1.619 54.680 53.050 0.017 0.000 0.830 219 N CB -0.877 37.615 38.487 0.008 0.000 0.841 219 N HN 1.002 9.382 8.380 -0.000 0.000 0.340 220 c N -4.714 113.897 118.600 0.017 0.000 5.833 220 c HA -0.027 4.542 4.570 -0.001 0.000 0.243 220 c C 1.343 175.439 174.090 0.010 0.000 1.619 220 c CA 0.328 56.663 56.329 0.010 0.000 1.419 220 c CB -2.249 40.261 42.510 -0.000 0.000 2.470 220 c HN 1.023 9.253 8.230 -0.000 0.000 0.584 221 G N 0.607 109.414 108.800 0.012 0.000 3.639 221 G HA2 0.444 4.404 3.960 -0.001 0.000 0.279 221 G HA3 0.444 4.404 3.960 -0.001 0.000 0.279 221 G C 0.892 175.801 174.900 0.014 0.000 1.312 221 G CA 1.307 46.413 45.100 0.011 0.000 1.355 221 G HN 1.723 10.013 8.290 -0.000 0.000 0.595 222 S N -0.545 115.175 115.700 0.034 0.000 2.408 222 S HA -0.453 4.017 4.470 -0.001 0.000 0.255 222 S C 1.438 176.057 174.600 0.032 0.000 1.360 222 S CA 2.313 60.532 58.200 0.031 0.000 1.631 222 S CB -0.939 62.276 63.200 0.024 0.000 2.214 222 S HN 0.558 8.868 8.310 -0.000 0.000 0.732 223 Q N 0.594 120.414 119.800 0.032 0.000 2.282 223 Q HA 0.276 4.615 4.340 -0.001 0.000 0.206 223 Q C 0.370 176.395 176.000 0.041 0.000 0.878 223 Q CA -0.185 55.637 55.803 0.032 0.000 0.944 223 Q CB 0.439 29.194 28.738 0.027 0.000 1.100 223 Q HN 0.617 8.887 8.270 -0.000 0.000 0.509 224 R N 0.326 120.857 120.500 0.052 0.000 2.404 224 R HA 0.381 4.720 4.340 -0.001 0.000 0.291 224 R C -0.384 175.963 176.300 0.079 0.000 1.025 224 R CA -0.136 56.005 56.100 0.069 0.000 0.991 224 R CB 1.529 31.877 30.300 0.081 0.000 1.053 224 R HN -0.158 8.112 8.270 -0.000 0.000 0.479 225 S N 1.275 117.027 115.700 0.088 0.000 2.746 225 S HA 0.294 4.764 4.470 -0.001 0.000 0.273 225 S C -1.211 173.464 174.600 0.126 0.000 1.172 225 S CA -0.559 57.693 58.200 0.086 0.000 1.116 225 S CB 0.813 64.047 63.200 0.055 0.000 1.057 225 S HN 0.512 8.822 8.310 -0.000 0.000 0.483 226 S N 5.071 120.879 115.700 0.180 0.000 2.449 226 S HA 0.632 5.101 4.470 -0.001 0.000 0.310 226 S C -0.691 174.026 174.600 0.195 0.000 1.096 226 S CA -0.631 57.736 58.200 0.278 0.000 1.095 226 S CB 0.835 64.308 63.200 0.454 0.000 1.007 226 S HN 0.717 9.027 8.310 -0.000 0.000 0.474 227 L N 4.229 125.541 121.223 0.149 0.000 2.346 227 L HA 0.757 5.096 4.340 -0.001 0.000 0.274 227 L C -0.766 176.098 176.870 -0.010 0.000 1.007 227 L CA -0.963 53.859 54.840 -0.030 0.000 0.818 227 L CB 1.128 43.194 42.059 0.012 0.000 1.284 227 L HN 0.694 8.924 8.230 -0.000 0.000 0.424 228 F N -0.723 118.999 119.950 -0.380 0.000 2.588 228 F HA 0.689 5.216 4.527 -0.001 0.000 0.314 228 F C -0.382 175.311 175.800 -0.178 0.000 1.069 228 F CA -1.253 56.526 58.000 -0.369 0.000 0.931 228 F CB 1.399 39.796 39.000 -1.004 0.000 1.260 228 F HN 0.370 8.670 8.300 -0.000 0.000 0.465 229 E N 2.327 122.627 120.200 0.167 0.000 2.259 229 E HA 0.296 4.646 4.350 -0.001 0.000 0.281 229 E C -0.570 176.174 176.600 0.239 0.000 1.037 229 E CA -0.291 56.195 56.400 0.143 0.000 0.854 229 E CB 0.643 30.464 29.700 0.201 0.000 1.051 229 E HN 0.643 9.003 8.360 -0.000 0.000 0.409 230 R N 3.561 124.142 120.500 0.135 0.000 2.623 230 R HA 0.012 4.351 4.340 -0.001 0.000 0.271 230 R C 0.944 177.347 176.300 0.172 0.000 1.043 230 R CA -0.320 55.888 56.100 0.180 0.000 1.083 230 R CB 0.353 30.691 30.300 0.064 0.000 0.974 230 R HN 0.620 8.890 8.270 -0.000 0.000 0.436 231 L N 3.168 124.492 121.223 0.168 0.000 2.072 231 L HA -0.145 4.195 4.340 -0.001 0.000 0.205 231 L C 1.906 178.811 176.870 0.058 0.000 1.079 231 L CA 1.774 56.685 54.840 0.117 0.000 0.752 231 L CB -0.361 41.714 42.059 0.028 0.000 0.906 231 L HN 0.620 8.850 8.230 -0.000 0.000 0.436 232 Q N 0.143 119.961 119.800 0.031 0.000 2.077 232 Q HA -0.176 4.163 4.340 -0.001 0.000 0.206 232 Q C -0.456 175.540 176.000 -0.008 0.000 0.989 232 Q CA 2.425 58.229 55.803 0.002 0.000 0.853 232 Q CB -1.317 27.419 28.738 -0.002 0.000 0.907 232 Q HN 0.487 8.757 8.270 -0.000 0.000 0.418 233 P HA -0.169 4.251 4.420 -0.000 0.000 0.218 233 P C 1.100 178.367 177.300 -0.055 0.000 1.148 233 P CA 1.325 64.406 63.100 -0.032 0.000 0.822 233 P CB -0.107 31.581 31.700 -0.020 0.000 0.784 234 I N -0.762 119.810 120.570 0.003 0.000 2.286 234 I HA -0.182 3.987 4.170 -0.001 0.000 0.245 234 I C 2.682 178.803 176.117 0.007 0.000 1.104 234 I CA 1.045 62.364 61.300 0.031 0.000 1.397 234 I CB -0.686 37.422 38.000 0.179 0.000 1.072 234 I HN -0.156 8.054 8.210 -0.000 0.000 0.417 235 L N 0.573 121.800 121.223 0.007 0.000 2.046 235 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 235 L C 2.832 179.664 176.870 -0.063 0.000 1.077 235 L CA 1.785 56.612 54.840 -0.022 0.000 0.747 235 L CB -0.707 41.335 42.059 -0.029 0.000 0.896 235 L HN 0.369 8.599 8.230 -0.000 0.000 0.432 236 S N -0.998 114.657 115.700 -0.076 0.000 2.395 236 S HA -0.228 4.241 4.470 -0.001 0.000 0.225 236 S C 1.926 176.447 174.600 -0.131 0.000 1.027 236 S CA 0.763 58.912 58.200 -0.085 0.000 0.965 236 S CB -0.349 62.811 63.200 -0.067 0.000 0.812 236 S HN 0.417 8.727 8.310 -0.000 0.000 0.482 237 Q N 0.003 119.672 119.800 -0.218 0.000 2.152 237 Q HA -0.159 4.180 4.340 -0.001 0.000 0.206 237 Q C 0.861 176.604 176.000 -0.428 0.000 0.985 237 Q CA 1.695 57.272 55.803 -0.376 0.000 0.863 237 Q CB -0.197 28.184 28.738 -0.596 0.000 0.904 237 Q HN 0.766 9.036 8.270 -0.000 0.000 0.422 238 Y N -1.320 118.932 120.300 -0.080 0.000 2.458 238 Y HA 0.347 4.897 4.550 -0.000 0.000 0.256 238 Y C 1.063 176.828 175.900 -0.226 0.000 1.159 238 Y CA 0.096 58.098 58.100 -0.162 0.000 1.261 238 Y CB 0.801 39.055 38.460 -0.344 0.000 1.119 238 Y HN 0.214 8.494 8.280 -0.000 0.000 0.524 239 G N 1.236 110.000 108.800 -0.061 0.000 2.272 239 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.280 239 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.280 239 G C -0.271 174.548 174.900 -0.134 0.000 1.067 239 G CA 0.031 45.082 45.100 -0.081 0.000 0.902 239 G HN 0.287 8.577 8.290 -0.000 0.000 0.500 240 L N 0.089 121.221 121.223 -0.152 0.000 2.343 240 L HA 0.686 5.026 4.340 -0.001 0.000 0.275 240 L C 0.486 177.294 176.870 -0.104 0.000 1.056 240 L CA -0.746 53.980 54.840 -0.190 0.000 0.804 240 L CB 1.942 43.870 42.059 -0.218 0.000 1.203 240 L HN 0.145 8.375 8.230 -0.000 0.000 0.440 241 S N 2.339 117.989 115.700 -0.084 0.000 2.473 241 S HA 0.462 4.932 4.470 -0.001 0.000 0.307 241 S C -0.549 174.033 174.600 -0.030 0.000 1.094 241 S CA -0.574 57.596 58.200 -0.050 0.000 1.070 241 S CB 1.789 64.964 63.200 -0.041 0.000 1.019 241 S HN 0.333 8.643 8.310 -0.000 0.000 0.480 242 L N 4.118 125.323 121.223 -0.029 0.000 2.453 242 L HA 0.288 4.627 4.340 -0.001 0.000 0.272 242 L C -0.481 176.392 176.870 0.005 0.000 1.182 242 L CA 0.241 55.072 54.840 -0.015 0.000 0.858 242 L CB 0.506 42.524 42.059 -0.070 0.000 1.120 242 L HN 0.456 8.686 8.230 -0.000 0.000 0.474 243 V N 4.851 124.789 119.914 0.040 0.000 2.470 243 V HA 0.365 4.484 4.120 -0.001 0.000 0.276 243 V C 0.555 176.672 176.094 0.038 0.000 1.040 243 V CA 0.115 62.440 62.300 0.042 0.000 1.008 243 V CB 0.579 32.442 31.823 0.066 0.000 0.990 243 V HN 0.999 9.189 8.190 -0.000 0.000 0.477 244 T N 2.191 116.758 114.554 0.022 0.000 2.916 244 T HA 0.920 5.269 4.350 -0.001 0.000 0.292 244 T C -0.099 174.612 174.700 0.019 0.000 1.064 244 T CA -0.252 61.859 62.100 0.018 0.000 1.011 244 T CB 2.266 71.134 68.868 0.000 0.000 1.152 244 T HN 0.919 9.159 8.240 -0.000 0.000 0.510 245 G N 0.000 108.811 108.800 0.019 0.000 5.446 245 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 245 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 245 G CA 0.000 45.110 45.100 0.016 0.000 0.502 245 G HN 0.000 8.290 8.290 -0.000 0.000 0.925