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 1ssf_1_A DATA FIRST_RESID 7 DATA SEQUENCE NSFVGLRVVA KWSSNGYFYS GKITRDVGAG KYKLLFDDGY ECDVLGKDIL DATA SEQUENCE LCDPIPLDTE VTALSEDEYF SAGVVKGHRK ESGELYYSIE KEGQRKWYKR DATA SEQUENCE MAVILSLEQG NRLREQYGLG PYE 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 7 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 7 N C 0.000 175.521 175.510 0.019 0.000 1.280 7 N CA 0.000 53.055 53.050 0.008 0.000 0.885 7 N CB 0.000 38.497 38.487 0.017 0.000 1.341 8 S N 0.076 115.793 115.700 0.029 0.000 4.436 8 S HA 0.216 4.754 4.470 0.114 0.000 0.207 8 S C -0.988 173.716 174.600 0.174 0.000 1.209 8 S CA 0.002 58.249 58.200 0.078 0.000 1.086 8 S CB 0.231 63.434 63.200 0.005 0.000 2.036 8 S HN 0.325 8.650 8.310 0.025 0.000 0.627 9 F N 0.863 120.840 119.950 0.045 0.000 2.963 9 F HA 0.390 4.933 4.527 0.027 0.000 0.321 9 F C 0.563 176.397 175.800 0.057 0.000 1.234 9 F CA -0.999 57.027 58.000 0.042 0.000 1.296 9 F CB -0.214 38.807 39.000 0.035 0.000 0.981 9 F HN -0.092 8.141 8.300 -0.111 0.000 0.507 10 V N -1.817 118.161 119.914 0.108 0.000 3.592 10 V HA -0.041 4.134 4.120 0.091 0.000 0.272 10 V C -0.711 175.439 176.094 0.094 0.000 1.228 10 V CA 0.467 62.813 62.300 0.076 0.000 1.173 10 V CB -0.711 31.120 31.823 0.013 0.000 0.873 10 V HN 0.071 8.234 8.190 0.064 0.066 0.476 11 G N -1.625 107.241 108.800 0.109 0.000 4.552 11 G HA2 0.054 4.237 3.960 0.069 0.000 0.281 11 G HA3 0.054 4.052 3.960 0.064 0.000 0.281 11 G C -0.753 174.190 174.900 0.072 0.000 1.037 11 G CA -1.029 44.117 45.100 0.078 0.000 0.806 11 G HN -0.435 7.846 8.290 0.143 0.095 0.495 12 L N 0.518 121.800 121.223 0.098 0.000 2.472 12 L HA -0.012 4.345 4.340 0.028 0.000 0.273 12 L C -1.155 175.699 176.870 -0.027 0.000 1.254 12 L CA 0.976 55.843 54.840 0.045 0.000 0.823 12 L CB 0.940 43.084 42.059 0.142 0.000 1.096 12 L HN -0.991 7.331 8.230 0.153 0.000 0.521 13 R N 0.547 120.997 120.500 -0.083 0.000 2.265 13 R HA 0.179 4.465 4.340 -0.089 0.000 0.328 13 R C -1.147 175.053 176.300 -0.166 0.000 0.969 13 R CA -0.570 55.465 56.100 -0.109 0.000 0.832 13 R CB 0.343 30.584 30.300 -0.097 0.000 1.139 13 R HN 0.273 8.476 8.270 -0.111 0.000 0.457 14 V N -0.420 119.384 119.914 -0.184 0.000 3.113 14 V HA 1.094 5.217 4.120 -0.233 -0.143 0.316 14 V C -1.575 174.380 176.094 -0.232 0.000 1.125 14 V CA -3.871 58.294 62.300 -0.225 0.000 1.026 14 V CB 3.940 35.614 31.823 -0.248 0.000 1.080 14 V HN 0.651 8.643 8.190 -0.166 0.099 0.444 15 V N -4.837 114.948 119.914 -0.214 0.000 2.715 15 V HA 0.724 4.895 4.120 -0.159 -0.146 0.310 15 V C -1.854 174.100 176.094 -0.232 0.000 1.054 15 V CA -2.946 59.266 62.300 -0.147 0.000 0.928 15 V CB 2.940 34.794 31.823 0.052 0.000 1.007 15 V HN -0.147 7.909 8.190 -0.224 0.000 0.437 16 A N 2.820 125.516 122.820 -0.207 0.000 2.363 16 A HA 0.570 4.624 4.320 -0.444 0.000 0.296 16 A C -1.698 175.850 177.584 -0.060 0.000 1.237 16 A CA -1.238 50.608 52.037 -0.319 0.000 0.773 16 A CB 1.424 20.030 19.000 -0.657 0.000 1.153 16 A HN 0.896 8.871 8.150 -0.091 0.121 0.473 17 K N 4.641 124.930 120.400 -0.184 0.000 2.471 17 K HA 0.487 4.925 4.320 0.197 0.000 0.252 17 K C -1.054 175.471 176.600 -0.124 0.000 0.938 17 K CA -0.815 55.460 56.287 -0.021 0.000 0.796 17 K CB 1.828 34.266 32.500 -0.105 0.000 1.161 17 K HN -0.270 7.668 8.250 -0.343 0.107 0.425 18 W N 2.221 123.632 121.300 0.184 0.000 2.601 18 W HA -0.162 4.580 4.660 0.137 0.000 0.292 18 W C -0.282 176.293 176.519 0.094 0.000 1.153 18 W CA 1.632 59.062 57.345 0.141 0.000 1.448 18 W CB 0.551 30.099 29.460 0.146 0.000 1.113 18 W HN 0.477 8.894 8.180 0.394 0.000 0.548 19 S N -2.887 113.001 115.700 0.313 0.000 2.537 19 S HA 0.132 4.696 4.470 0.156 0.000 0.301 19 S C -0.636 174.043 174.600 0.131 0.000 1.092 19 S CA -1.009 57.300 58.200 0.182 0.000 1.048 19 S CB 2.238 65.526 63.200 0.147 0.000 1.053 19 S HN -0.683 7.836 8.310 0.349 0.000 0.501 20 S N 2.924 118.670 115.700 0.076 0.000 2.405 20 S HA 0.029 4.540 4.470 0.068 0.000 0.291 20 S C -0.500 174.122 174.600 0.037 0.000 1.137 20 S CA 0.495 58.726 58.200 0.052 0.000 1.061 20 S CB 0.137 63.349 63.200 0.021 0.000 1.001 20 S HN 0.333 8.683 8.310 0.067 0.000 0.507 21 N N 4.304 123.018 118.700 0.023 0.000 2.160 21 N HA 0.162 4.872 4.740 -0.050 0.000 0.226 21 N C -0.506 174.873 175.510 -0.218 0.000 1.256 21 N CA -0.023 52.991 53.050 -0.060 0.000 0.890 21 N CB 1.041 39.517 38.487 -0.018 0.000 1.116 21 N HN 0.350 8.769 8.380 0.065 0.000 0.517 22 G N -1.100 107.626 108.800 -0.123 0.000 2.232 22 G HA2 -0.323 3.640 3.960 0.005 0.000 0.226 22 G HA3 -0.323 3.490 3.960 -0.245 0.000 0.226 22 G C -2.051 172.809 174.900 -0.066 0.000 0.996 22 G CA 0.473 45.496 45.100 -0.128 0.000 0.626 22 G HN -0.090 8.119 8.290 -0.003 0.079 0.509 23 Y N -3.612 116.768 120.300 0.133 0.000 2.524 23 Y HA 0.917 5.415 4.550 -0.281 -0.117 0.347 23 Y C -2.070 173.852 175.900 0.038 0.000 1.005 23 Y CA -3.937 54.128 58.100 -0.058 0.000 1.025 23 Y CB 2.288 40.666 38.460 -0.137 0.000 1.275 23 Y HN -0.897 7.252 8.280 -0.218 0.000 0.460 24 F N -3.750 116.157 119.950 -0.071 0.000 2.522 24 F HA 0.505 5.111 4.527 -0.060 -0.115 0.324 24 F C -1.010 174.453 175.800 -0.562 0.000 1.077 24 F CA -4.299 53.582 58.000 -0.199 0.000 0.944 24 F CB 1.240 40.153 39.000 -0.146 0.000 1.175 24 F HN 0.538 8.355 8.300 -0.805 0.000 0.468 25 Y N -1.423 118.945 120.300 0.113 0.000 2.534 25 Y HA 0.206 4.743 4.550 -0.022 0.000 0.338 25 Y C 0.674 176.509 175.900 -0.108 0.000 1.279 25 Y CA -0.545 57.562 58.100 0.011 0.000 1.436 25 Y CB 2.179 40.707 38.460 0.114 0.000 1.573 25 Y HN 0.642 8.920 8.280 0.175 0.106 0.567 26 S N -2.040 113.635 115.700 -0.042 0.000 2.549 26 S HA 0.375 4.832 4.470 -0.229 -0.124 0.297 26 S C -0.109 174.260 174.600 -0.385 0.000 1.115 26 S CA -1.637 56.444 58.200 -0.199 0.000 1.059 26 S CB 1.654 64.762 63.200 -0.154 0.000 1.046 26 S HN 0.285 8.664 8.310 0.115 0.000 0.506 27 G N 1.634 110.200 108.800 -0.389 0.000 2.680 27 G HA2 0.693 4.432 3.960 -0.369 0.000 0.290 27 G HA3 0.693 4.361 3.960 -0.488 0.000 0.290 27 G C -2.796 171.999 174.900 -0.176 0.000 1.355 27 G CA -0.395 44.475 45.100 -0.384 0.000 0.903 27 G HN 0.474 8.483 8.290 -0.302 0.100 0.474 28 K N -1.045 119.310 120.400 -0.075 0.000 2.482 28 K HA 0.511 4.790 4.320 -0.068 0.000 0.251 28 K C -1.369 175.234 176.600 0.005 0.000 0.936 28 K CA -1.766 54.501 56.287 -0.035 0.000 0.791 28 K CB 3.840 36.340 32.500 -0.000 0.000 1.213 28 K HN 0.837 9.070 8.250 -0.027 0.000 0.428 29 I N -0.552 120.025 120.570 0.012 0.000 2.764 29 I HA 0.200 4.415 4.170 0.075 0.000 0.294 29 I C -0.577 175.581 176.117 0.069 0.000 1.045 29 I CA -0.515 60.823 61.300 0.064 0.000 1.340 29 I CB 1.268 39.337 38.000 0.115 0.000 1.436 29 I HN 0.544 8.627 8.210 -0.009 0.122 0.567 30 T N 6.287 120.888 114.554 0.077 0.000 3.026 30 T HA 0.210 4.592 4.350 0.054 0.000 0.245 30 T C -0.380 174.354 174.700 0.056 0.000 1.004 30 T CA 1.380 63.517 62.100 0.061 0.000 1.069 30 T CB 1.425 70.326 68.868 0.056 0.000 1.005 30 T HN 0.936 9.121 8.240 0.091 0.109 0.472 31 R N -1.623 118.916 120.500 0.065 0.000 2.733 31 R HA 0.317 4.771 4.340 0.037 -0.092 0.272 31 R C -2.791 173.543 176.300 0.057 0.000 1.029 31 R CA -1.123 55.004 56.100 0.044 0.000 0.888 31 R CB 4.235 34.547 30.300 0.020 0.000 1.251 31 R HN -0.308 8.013 8.270 0.085 0.000 0.464 32 D N -0.076 120.330 120.400 0.010 0.000 2.198 32 D HA 0.078 4.735 4.640 0.029 0.000 0.245 32 D C -0.840 175.409 176.300 -0.084 0.000 1.079 32 D CA -0.842 53.138 54.000 -0.034 0.000 0.854 32 D CB 1.406 42.137 40.800 -0.116 0.000 1.148 32 D HN 0.184 8.545 8.370 -0.014 0.000 0.456 33 V N 3.429 123.264 119.914 -0.132 0.000 2.398 33 V HA 0.318 4.378 4.120 -0.098 0.000 0.286 33 V C 0.354 176.331 176.094 -0.195 0.000 1.026 33 V CA -1.867 60.355 62.300 -0.130 0.000 0.868 33 V CB 1.074 32.842 31.823 -0.092 0.000 0.982 33 V HN -0.474 7.608 8.190 -0.180 0.000 0.443 34 G N 5.584 114.290 108.800 -0.157 0.000 2.568 34 G HA2 -0.457 3.428 3.960 -0.125 0.000 0.334 34 G HA3 -0.457 3.406 3.960 -0.161 0.000 0.334 34 G C -1.142 173.643 174.900 -0.193 0.000 1.348 34 G CA 0.826 45.830 45.100 -0.160 0.000 0.949 34 G HN 0.264 8.482 8.290 -0.120 0.000 0.532 35 A N 0.903 123.613 122.820 -0.185 0.000 2.256 35 A HA 0.143 4.374 4.320 -0.149 0.000 0.317 35 A C 0.058 177.485 177.584 -0.262 0.000 1.318 35 A CA -0.318 51.621 52.037 -0.163 0.000 0.894 35 A CB -0.230 18.729 19.000 -0.068 0.000 1.165 35 A HN 0.073 8.115 8.150 -0.180 0.000 0.525 36 G N 2.821 111.473 108.800 -0.246 0.000 2.213 36 G HA2 -0.357 3.559 3.960 -0.073 0.000 0.226 36 G HA3 -0.357 3.401 3.960 -0.337 0.000 0.226 36 G C -1.067 173.591 174.900 -0.402 0.000 0.992 36 G CA -0.001 44.952 45.100 -0.245 0.000 0.632 36 G HN 0.468 8.625 8.290 -0.222 0.000 0.511 37 K N 0.238 120.321 120.400 -0.528 0.000 2.185 37 K HA 0.618 4.772 4.320 -0.391 -0.068 0.240 37 K C -1.081 174.969 176.600 -0.916 0.000 0.983 37 K CA -1.330 54.648 56.287 -0.516 0.000 0.873 37 K CB 2.617 34.961 32.500 -0.260 0.000 1.118 37 K HN -0.879 7.043 8.250 -0.456 0.054 0.441 38 Y N -2.962 117.332 120.300 -0.010 0.000 2.470 38 Y HA 0.100 4.653 4.550 0.005 0.000 0.341 38 Y C -2.226 173.682 175.900 0.014 0.000 1.021 38 Y CA -0.680 57.424 58.100 0.007 0.000 1.025 38 Y CB 4.439 42.911 38.460 0.020 0.000 1.266 38 Y HN 0.335 8.558 8.280 -0.096 0.000 0.448 39 K N 4.548 125.031 120.400 0.138 0.000 2.334 39 K HA 0.535 5.055 4.320 0.095 -0.143 0.265 39 K C -2.033 174.636 176.600 0.115 0.000 1.039 39 K CA -1.780 54.564 56.287 0.095 0.000 0.920 39 K CB 0.928 33.459 32.500 0.050 0.000 1.160 39 K HN 0.602 8.942 8.250 0.150 0.000 0.451 40 L N 3.447 124.746 121.223 0.127 0.000 2.350 40 L HA 0.780 5.186 4.340 0.109 0.000 0.260 40 L C -3.120 173.847 176.870 0.161 0.000 1.015 40 L CA -2.204 52.715 54.840 0.131 0.000 0.821 40 L CB 3.317 45.448 42.059 0.121 0.000 1.370 40 L HN 0.576 8.886 8.230 0.133 0.000 0.416 41 L N -1.735 119.587 121.223 0.164 0.000 2.381 41 L HA 0.510 5.176 4.340 0.286 -0.154 0.268 41 L C -1.767 175.291 176.870 0.314 0.000 0.997 41 L CA -1.940 53.038 54.840 0.230 0.000 0.818 41 L CB 4.118 46.261 42.059 0.140 0.000 1.310 41 L HN 0.532 8.834 8.230 0.121 0.000 0.416 42 F N 2.427 122.466 119.950 0.150 0.000 2.496 42 F HA -0.023 4.568 4.527 0.106 0.000 0.344 42 F C 1.498 177.356 175.800 0.097 0.000 1.155 42 F CA -0.780 57.303 58.000 0.138 0.000 1.302 42 F CB 0.290 39.407 39.000 0.195 0.000 1.159 42 F HN 0.444 9.087 8.300 0.706 0.081 0.595 43 D N -0.116 120.394 120.400 0.182 0.000 2.354 43 D HA -0.300 4.396 4.640 0.094 0.000 0.216 43 D C -0.054 176.331 176.300 0.141 0.000 0.970 43 D CA 2.706 56.776 54.000 0.116 0.000 0.905 43 D CB -0.393 40.436 40.800 0.049 0.000 0.903 43 D HN 0.478 8.903 8.370 0.093 0.000 0.508 44 D N -3.850 116.669 120.400 0.199 0.000 2.469 44 D HA -0.005 4.713 4.640 0.129 0.000 0.213 44 D C 0.488 176.893 176.300 0.175 0.000 1.135 44 D CA -0.796 53.307 54.000 0.171 0.000 0.834 44 D CB 0.348 41.248 40.800 0.167 0.000 1.009 44 D HN -0.431 7.999 8.370 0.284 0.110 0.507 45 G N -0.571 108.358 108.800 0.215 0.000 2.215 45 G HA2 -0.344 3.713 3.960 0.163 0.000 0.198 45 G HA3 -0.344 3.696 3.960 0.133 0.000 0.198 45 G C -1.767 173.253 174.900 0.201 0.000 1.047 45 G CA -0.128 45.077 45.100 0.176 0.000 0.747 45 G HN 0.211 8.523 8.290 0.253 0.130 0.495 46 Y N -0.071 120.284 120.300 0.092 0.000 2.447 46 Y HA 0.132 4.668 4.550 -0.022 0.000 0.325 46 Y C -2.118 173.844 175.900 0.104 0.000 0.976 46 Y CA -1.668 56.418 58.100 -0.023 0.000 1.280 46 Y CB 1.306 39.572 38.460 -0.323 0.000 1.104 46 Y HN -0.748 7.849 8.280 0.402 -0.076 0.486 47 E N 9.350 129.469 120.200 -0.136 0.000 2.248 47 E HA 0.806 5.408 4.350 0.134 -0.171 0.272 47 E C -0.966 175.582 176.600 -0.087 0.000 1.008 47 E CA -1.565 54.821 56.400 -0.023 0.000 0.856 47 E CB 2.462 32.170 29.700 0.013 0.000 1.120 47 E HN 0.320 8.545 8.360 -0.225 0.000 0.397 48 C N 1.655 120.996 119.300 0.068 0.000 3.249 48 C HA 0.383 4.860 4.460 0.028 0.000 0.350 48 C C -2.440 172.621 174.990 0.118 0.000 1.431 48 C CA -2.218 56.859 59.018 0.098 0.000 1.209 48 C CB 2.646 30.537 27.740 0.252 0.000 1.546 48 C HN 0.652 8.956 8.230 0.123 0.000 0.450 49 D N 0.235 120.702 120.400 0.112 0.000 2.646 49 D HA 0.576 5.398 4.640 0.100 -0.122 0.245 49 D C -0.897 175.476 176.300 0.122 0.000 1.099 49 D CA -0.413 53.642 54.000 0.092 0.000 0.849 49 D CB 2.387 43.212 40.800 0.042 0.000 1.448 49 D HN 0.000 8.439 8.370 0.115 0.000 0.489 50 V N -2.748 117.231 119.914 0.109 0.000 3.206 50 V HA 0.484 4.682 4.120 0.131 0.000 0.305 50 V C -2.196 173.923 176.094 0.041 0.000 1.257 50 V CA -2.833 59.538 62.300 0.118 0.000 1.057 50 V CB 3.099 35.012 31.823 0.149 0.000 1.075 50 V HN 0.454 8.698 8.190 0.089 0.000 0.443 51 L N -0.163 121.078 121.223 0.029 0.000 2.371 51 L HA 0.144 4.427 4.340 -0.095 0.000 0.272 51 L C 0.622 177.510 176.870 0.030 0.000 1.124 51 L CA -0.558 54.266 54.840 -0.027 0.000 0.816 51 L CB 1.532 43.565 42.059 -0.044 0.000 1.129 51 L HN 0.483 8.755 8.230 0.071 0.000 0.448 52 G N 2.611 111.441 108.800 0.051 0.000 2.448 52 G HA2 -0.223 4.131 3.960 0.374 0.000 0.218 52 G HA3 -0.223 4.040 3.960 0.389 -0.069 0.218 52 G C -0.134 174.846 174.900 0.134 0.000 1.135 52 G CA 1.758 47.006 45.100 0.246 0.000 0.784 52 G HN 0.845 9.001 8.290 -0.042 0.109 0.543 53 K N -3.215 117.228 120.400 0.072 0.000 2.585 53 K HA -0.209 4.098 4.320 -0.022 0.000 0.194 53 K C -0.711 175.833 176.600 -0.093 0.000 1.037 53 K CA 0.701 56.986 56.287 -0.003 0.000 0.964 53 K CB -1.626 30.896 32.500 0.037 0.000 0.787 53 K HN 0.046 8.350 8.250 0.091 0.000 0.488 54 D N -2.011 118.332 120.400 -0.094 0.000 2.999 54 D HA 0.195 4.804 4.640 -0.188 -0.082 0.273 54 D C -0.128 176.010 176.300 -0.269 0.000 1.485 54 D CA 1.473 55.368 54.000 -0.175 0.000 1.101 54 D CB 2.363 43.088 40.800 -0.125 0.000 1.109 54 D HN -0.774 7.430 8.370 -0.038 0.142 0.368 55 I N 0.292 120.731 120.570 -0.218 0.000 2.405 55 I HA 0.683 4.972 4.170 -0.288 -0.291 0.280 55 I C -1.142 174.928 176.117 -0.079 0.000 1.027 55 I CA -1.455 59.712 61.300 -0.222 0.000 1.161 55 I CB -0.252 37.583 38.000 -0.275 0.000 1.300 55 I HN -0.749 7.382 8.210 -0.132 0.000 0.463 56 L N 2.485 123.585 121.223 -0.205 0.000 2.327 56 L HA 0.601 4.464 4.340 -0.795 0.000 0.258 56 L C -1.385 175.182 176.870 -0.505 0.000 1.024 56 L CA -2.412 52.183 54.840 -0.408 0.000 0.825 56 L CB 3.726 45.697 42.059 -0.148 0.000 1.386 56 L HN -0.078 8.013 8.230 -0.232 0.000 0.417 57 L N -2.123 118.650 121.223 -0.749 0.000 2.791 57 L HA -0.094 3.991 4.340 -0.425 0.000 0.276 57 L C -0.906 175.780 176.870 -0.307 0.000 1.136 57 L CA -0.068 54.474 54.840 -0.496 0.000 1.008 57 L CB -2.855 38.893 42.059 -0.518 0.000 1.348 57 L HN 0.095 7.522 8.230 -1.337 0.000 0.476 58 C N 4.849 124.004 119.300 -0.241 0.000 2.871 58 C HA 0.381 4.780 4.460 -0.101 0.000 0.351 58 C C -0.205 174.694 174.990 -0.151 0.000 1.338 58 C CA -1.600 57.327 59.018 -0.151 0.000 1.686 58 C CB 4.096 31.760 27.740 -0.127 0.000 2.135 58 C HN 0.868 8.949 8.230 -0.248 0.000 0.476 59 D N 0.462 120.797 120.400 -0.107 0.000 2.162 59 D HA 0.089 4.680 4.640 -0.082 0.000 0.205 59 D C 0.126 176.368 176.300 -0.098 0.000 0.964 59 D CA 4.207 58.158 54.000 -0.082 0.000 0.847 59 D CB -1.175 39.595 40.800 -0.050 0.000 0.988 59 D HN 0.326 8.650 8.370 -0.077 0.000 0.480 60 P HA -0.146 4.212 4.420 -0.103 0.000 0.205 60 P C 0.056 177.346 177.300 -0.017 0.000 1.193 60 P CA 2.097 65.127 63.100 -0.117 0.000 0.929 60 P CB 0.354 31.923 31.700 -0.217 0.000 0.772 61 I N -3.611 116.986 120.570 0.044 0.000 2.957 61 I HA 0.270 4.490 4.170 0.084 0.000 0.310 61 I C -2.704 173.470 176.117 0.095 0.000 1.063 61 I CA -3.388 57.956 61.300 0.075 0.000 1.033 61 I CB 1.947 39.976 38.000 0.048 0.000 1.230 61 I HN -0.681 7.580 8.210 0.085 0.000 0.447 62 P HA 0.053 4.457 4.420 -0.028 0.000 0.261 62 P C -0.022 177.295 177.300 0.028 0.000 1.183 62 P CA 0.091 63.216 63.100 0.041 0.000 0.761 62 P CB 0.272 32.027 31.700 0.092 0.000 0.785 63 L N 2.665 123.877 121.223 -0.018 0.000 2.865 63 L HA -0.250 4.151 4.340 -0.095 -0.118 0.249 63 L C -0.260 176.555 176.870 -0.091 0.000 1.187 63 L CA 1.905 56.691 54.840 -0.090 0.000 0.856 63 L CB -1.687 40.272 42.059 -0.166 0.000 1.023 63 L HN 0.403 8.608 8.230 -0.042 0.000 0.461 64 D N -2.527 117.844 120.400 -0.049 0.000 2.712 64 D HA 0.268 4.875 4.640 -0.056 0.000 0.300 64 D C -1.069 175.216 176.300 -0.026 0.000 1.521 64 D CA -0.020 53.955 54.000 -0.041 0.000 0.790 64 D CB 1.842 42.629 40.800 -0.021 0.000 1.155 64 D HN 0.044 8.217 8.370 -0.024 0.182 0.456 65 T N 3.127 117.668 114.554 -0.023 0.000 2.821 65 T HA 0.190 4.534 4.350 -0.011 0.000 0.307 65 T C -1.529 173.155 174.700 -0.026 0.000 1.034 65 T CA -0.254 61.839 62.100 -0.011 0.000 0.953 65 T CB 0.762 69.635 68.868 0.010 0.000 0.968 65 T HN -0.653 7.570 8.240 -0.028 0.000 0.462 66 E N 10.329 130.511 120.200 -0.032 0.000 1.939 66 E HA -0.094 4.318 4.350 -0.042 -0.087 0.259 66 E C -0.716 175.853 176.600 -0.052 0.000 1.259 66 E CA 0.287 56.664 56.400 -0.039 0.000 0.971 66 E CB -1.091 28.590 29.700 -0.031 0.000 1.055 66 E HN 0.388 8.732 8.360 -0.026 0.000 0.420 67 V N 1.829 121.703 119.914 -0.067 0.000 3.193 67 V HA 0.370 4.407 4.120 -0.138 0.000 0.320 67 V C -0.831 175.177 176.094 -0.142 0.000 1.112 67 V CA -2.823 59.410 62.300 -0.112 0.000 1.026 67 V CB 2.324 34.087 31.823 -0.100 0.000 1.128 67 V HN 0.273 8.431 8.190 -0.053 0.000 0.452 68 T N -0.040 114.363 114.554 -0.252 0.000 2.875 68 T HA 0.289 4.656 4.350 -0.212 -0.144 0.284 68 T C -1.337 173.201 174.700 -0.270 0.000 0.995 68 T CA -1.961 59.942 62.100 -0.329 0.000 1.060 68 T CB 0.974 69.468 68.868 -0.623 0.000 0.967 68 T HN -0.265 7.790 8.240 -0.308 0.000 0.476 69 A N 6.951 129.683 122.820 -0.147 0.000 2.337 69 A HA 0.513 4.950 4.320 -0.017 -0.127 0.329 69 A C -1.754 175.827 177.584 -0.004 0.000 1.146 69 A CA -2.655 49.367 52.037 -0.025 0.000 0.800 69 A CB 3.065 22.110 19.000 0.076 0.000 1.220 69 A HN 1.198 9.175 8.150 -0.108 0.107 0.472 70 L N 2.800 124.019 121.223 -0.007 0.000 2.623 70 L HA 0.070 4.491 4.340 0.136 0.000 0.281 70 L C -1.208 175.708 176.870 0.077 0.000 1.150 70 L CA 0.556 55.424 54.840 0.047 0.000 0.965 70 L CB -2.067 39.990 42.059 -0.004 0.000 1.303 70 L HN 0.169 8.261 8.230 -0.046 0.110 0.467 71 S N 5.488 121.284 115.700 0.159 0.000 2.661 71 S HA 0.235 4.763 4.470 0.098 0.000 0.285 71 S C -1.582 173.119 174.600 0.168 0.000 1.138 71 S CA -1.708 56.580 58.200 0.147 0.000 0.855 71 S CB 2.605 65.893 63.200 0.146 0.000 1.136 71 S HN -0.445 8.021 8.310 0.260 0.000 0.484 72 E N -0.418 119.830 120.200 0.079 0.000 2.570 72 E HA -0.274 4.078 4.350 0.003 0.000 0.274 72 E C 0.387 176.793 176.600 -0.323 0.000 1.073 72 E CA 0.468 56.865 56.400 -0.005 0.000 1.005 72 E CB 0.262 30.016 29.700 0.090 0.000 1.008 72 E HN 0.127 8.536 8.360 0.081 0.000 0.460 73 D N 0.373 120.608 120.400 -0.275 0.000 2.106 73 D HA -0.319 4.001 4.640 -0.533 0.000 0.191 73 D C 1.843 177.622 176.300 -0.868 0.000 0.997 73 D CA 4.106 57.822 54.000 -0.472 0.000 0.834 73 D CB 0.149 40.882 40.800 -0.111 0.000 0.956 73 D HN 0.419 8.751 8.370 -0.063 0.000 0.448 74 E N -3.642 116.090 120.200 -0.780 0.000 2.526 74 E HA 0.119 4.140 4.350 -0.549 0.000 0.208 74 E C -0.297 175.745 176.600 -0.931 0.000 0.997 74 E CA 0.470 56.329 56.400 -0.901 0.000 0.961 74 E CB 0.429 29.531 29.700 -0.997 0.000 1.030 74 E HN 0.446 8.471 8.360 -0.558 0.000 0.483 75 Y N -3.279 116.820 120.300 -0.335 0.000 2.557 75 Y HA 0.115 4.649 4.550 -0.026 0.000 0.247 75 Y C -1.212 174.687 175.900 -0.002 0.000 1.164 75 Y CA -1.322 56.713 58.100 -0.108 0.000 1.218 75 Y CB -0.129 38.283 38.460 -0.079 0.000 1.210 75 Y HN -0.573 7.233 8.280 -0.523 0.161 0.529 76 F N 0.052 120.023 119.950 0.034 0.000 2.626 76 F HA -0.101 4.439 4.527 0.022 0.000 0.354 76 F C 0.295 176.090 175.800 -0.008 0.000 1.168 76 F CA -1.628 56.366 58.000 -0.009 0.000 1.368 76 F CB -0.427 38.522 39.000 -0.086 0.000 1.092 76 F HN -0.662 7.349 8.300 -0.482 0.000 0.612 77 S N 1.479 117.297 115.700 0.196 0.000 2.568 77 S HA 0.281 4.806 4.470 0.093 0.000 0.302 77 S C -1.397 173.215 174.600 0.021 0.000 1.082 77 S CA -1.219 57.037 58.200 0.093 0.000 1.009 77 S CB 2.816 66.066 63.200 0.083 0.000 1.069 77 S HN 0.522 8.952 8.310 0.199 0.000 0.500 78 A N 1.995 124.816 122.820 0.002 0.000 2.293 78 A HA 0.898 5.354 4.320 -0.055 -0.170 0.302 78 A C -0.771 176.802 177.584 -0.020 0.000 1.119 78 A CA -1.329 50.691 52.037 -0.029 0.000 0.823 78 A CB 2.252 21.229 19.000 -0.037 0.000 1.097 78 A HN 0.364 8.524 8.150 0.017 0.000 0.491 79 G N -1.609 107.172 108.800 -0.032 0.000 2.660 79 G HA2 0.525 4.549 3.960 -0.038 0.000 0.290 79 G HA3 0.525 4.467 3.960 -0.029 0.000 0.290 79 G C -3.062 171.810 174.900 -0.046 0.000 1.432 79 G CA 0.044 45.122 45.100 -0.036 0.000 0.807 79 G HN 0.440 8.704 8.290 -0.045 0.000 0.485 80 V N 1.136 121.011 119.914 -0.065 0.000 2.370 80 V HA 0.371 4.575 4.120 -0.054 -0.116 0.283 80 V C 0.294 176.333 176.094 -0.092 0.000 1.023 80 V CA -1.462 60.795 62.300 -0.071 0.000 0.857 80 V CB 2.052 33.826 31.823 -0.081 0.000 0.985 80 V HN 0.575 8.609 8.190 -0.077 0.110 0.443 81 V N 5.814 125.695 119.914 -0.056 0.000 2.540 81 V HA 0.105 4.319 4.120 -0.144 -0.180 0.297 81 V C -1.189 174.805 176.094 -0.166 0.000 1.024 81 V CA 0.791 63.039 62.300 -0.086 0.000 1.105 81 V CB -0.132 31.722 31.823 0.051 0.000 0.938 81 V HN 0.681 8.767 8.190 -0.022 0.091 0.482 82 K N 6.998 127.218 120.400 -0.299 0.000 2.585 82 K HA 0.437 4.762 4.320 -0.265 -0.164 0.198 82 K C -0.181 176.143 176.600 -0.460 0.000 1.403 82 K CA -0.009 56.084 56.287 -0.323 0.000 1.021 82 K CB 2.883 35.224 32.500 -0.265 0.000 1.558 82 K HN 0.020 8.058 8.250 -0.355 0.000 0.524 83 G N 0.002 108.481 108.800 -0.534 0.000 2.687 83 G HA2 0.336 3.990 3.960 -0.510 0.000 0.301 83 G HA3 0.336 4.127 3.960 -0.281 0.000 0.301 83 G C -2.561 172.121 174.900 -0.363 0.000 1.416 83 G CA -0.128 44.696 45.100 -0.460 0.000 1.005 83 G HN -0.524 7.437 8.290 -0.549 0.000 0.509 84 H N 1.650 120.663 119.070 -0.096 0.000 3.016 84 H HA 0.942 5.789 4.556 0.274 -0.127 0.362 84 H C -0.789 174.566 175.328 0.045 0.000 1.233 84 H CA -1.544 54.492 56.048 -0.020 0.000 1.124 84 H CB 3.767 33.258 29.762 -0.452 0.000 1.850 84 H HN 0.165 8.187 8.280 -0.430 0.000 0.549 85 R N -2.273 118.341 120.500 0.191 0.000 2.734 85 R HA 0.365 4.718 4.340 0.022 0.000 0.271 85 R C -2.423 173.841 176.300 -0.060 0.000 1.021 85 R CA -0.631 55.456 56.100 -0.022 0.000 0.893 85 R CB 3.168 33.308 30.300 -0.266 0.000 1.244 85 R HN 0.632 9.056 8.270 0.256 0.000 0.464 86 K N 1.877 122.230 120.400 -0.078 0.000 2.507 86 K HA 0.352 4.614 4.320 -0.098 0.000 0.251 86 K C -1.566 174.981 176.600 -0.088 0.000 0.943 86 K CA -0.675 55.569 56.287 -0.071 0.000 0.794 86 K CB 3.052 35.548 32.500 -0.006 0.000 1.188 86 K HN 0.216 8.423 8.250 -0.071 0.000 0.428 87 E N 4.837 124.981 120.200 -0.093 0.000 2.232 87 E HA 0.234 4.551 4.350 -0.056 0.000 0.264 87 E C -0.081 176.513 176.600 -0.011 0.000 0.973 87 E CA -1.958 54.408 56.400 -0.057 0.000 0.849 87 E CB 2.793 32.459 29.700 -0.057 0.000 1.198 87 E HN 0.623 8.927 8.360 -0.092 0.000 0.407 88 S N 3.490 119.190 115.700 0.001 0.000 4.027 88 S HA -0.282 4.197 4.470 0.015 0.000 0.188 88 S C -0.092 174.523 174.600 0.024 0.000 1.230 88 S CA 1.136 59.344 58.200 0.013 0.000 0.920 88 S CB -1.198 62.009 63.200 0.012 0.000 1.577 88 S HN 0.413 8.720 8.310 -0.004 0.000 0.445 89 G N 2.202 111.021 108.800 0.033 0.000 2.164 89 G HA2 -0.252 3.737 3.960 0.047 0.000 0.154 89 G HA3 -0.252 3.733 3.960 0.042 0.000 0.154 89 G C -2.066 172.870 174.900 0.060 0.000 1.014 89 G CA -0.437 44.690 45.100 0.045 0.000 0.683 89 G HN 0.289 8.537 8.290 0.029 0.060 0.500 90 E N -0.331 119.909 120.200 0.066 0.000 2.308 90 E HA 0.357 4.782 4.350 0.125 0.000 0.275 90 E C -2.808 173.856 176.600 0.107 0.000 0.890 90 E CA -1.649 54.819 56.400 0.114 0.000 0.754 90 E CB 3.127 32.916 29.700 0.148 0.000 1.207 90 E HN -0.509 7.770 8.360 0.045 0.108 0.426 91 L N 3.465 124.798 121.223 0.183 0.000 2.410 91 L HA 0.274 4.643 4.340 0.048 0.000 0.270 91 L C -1.888 175.190 176.870 0.345 0.000 0.983 91 L CA -0.693 54.242 54.840 0.157 0.000 0.822 91 L CB 3.262 45.400 42.059 0.133 0.000 1.285 91 L HN 0.177 8.544 8.230 0.229 0.000 0.409 92 Y N -1.059 119.362 120.300 0.202 0.000 2.396 92 Y HA 0.330 5.272 4.550 0.371 -0.170 0.332 92 Y C -2.862 173.396 175.900 0.596 0.000 1.034 92 Y CA -2.680 55.623 58.100 0.338 0.000 1.057 92 Y CB 1.116 39.679 38.460 0.172 0.000 1.220 92 Y HN 0.159 8.450 8.280 0.017 0.000 0.440 93 Y N 4.580 125.211 120.300 0.551 0.000 2.342 93 Y HA 0.221 5.031 4.550 0.433 0.000 0.338 93 Y C -0.955 175.094 175.900 0.249 0.000 0.965 93 Y CA -1.384 56.944 58.100 0.381 0.000 1.159 93 Y CB 2.497 41.069 38.460 0.187 0.000 1.157 93 Y HN 0.847 9.455 8.280 0.750 0.122 0.486 94 S N 6.006 121.519 115.700 -0.311 0.000 2.399 94 S HA 0.432 4.661 4.470 -0.757 -0.213 0.301 94 S C -0.705 173.597 174.600 -0.496 0.000 1.093 94 S CA -1.240 56.434 58.200 -0.877 0.000 1.077 94 S CB 0.133 62.151 63.200 -1.970 0.000 0.980 94 S HN 0.758 8.855 8.310 -0.356 0.000 0.494 95 I N 5.271 125.635 120.570 -0.343 0.000 2.304 95 I HA 0.215 4.443 4.170 -0.147 -0.147 0.291 95 I C -1.164 174.807 176.117 -0.244 0.000 1.018 95 I CA -2.548 58.637 61.300 -0.192 0.000 1.260 95 I CB -0.726 37.246 38.000 -0.048 0.000 1.390 95 I HN 1.050 8.925 8.210 -0.386 0.104 0.475 96 E N 9.585 129.663 120.200 -0.205 0.000 2.105 96 E HA 0.285 4.663 4.350 -0.213 -0.157 0.285 96 E C -1.415 175.115 176.600 -0.118 0.000 1.055 96 E CA -0.875 55.416 56.400 -0.181 0.000 0.843 96 E CB 0.931 30.529 29.700 -0.172 0.000 1.067 96 E HN 0.985 9.103 8.360 -0.182 0.133 0.398 97 K N 7.834 128.169 120.400 -0.109 0.000 2.513 97 K HA 0.380 4.671 4.320 -0.049 0.000 0.251 97 K C -0.906 175.665 176.600 -0.050 0.000 0.939 97 K CA -1.308 54.940 56.287 -0.065 0.000 0.793 97 K CB 2.548 35.015 32.500 -0.055 0.000 1.241 97 K HN 1.050 9.106 8.250 -0.136 0.112 0.431 98 E N 5.808 125.990 120.200 -0.029 0.000 3.799 98 E HA -0.372 3.971 4.350 -0.012 0.000 0.320 98 E C -0.119 176.466 176.600 -0.026 0.000 0.760 98 E CA 0.890 57.279 56.400 -0.019 0.000 1.153 98 E CB -0.710 28.986 29.700 -0.006 0.000 1.589 98 E HN 1.048 9.393 8.360 -0.024 0.000 0.448 99 G N -4.854 103.922 108.800 -0.040 0.000 2.192 99 G HA2 -0.365 3.652 3.960 -0.045 0.000 0.193 99 G HA3 -0.365 3.575 3.960 -0.033 0.000 0.193 99 G C -1.664 173.203 174.900 -0.055 0.000 0.999 99 G CA -0.112 44.962 45.100 -0.042 0.000 0.659 99 G HN 0.025 8.154 8.290 -0.049 0.131 0.503 100 Q N -2.182 117.578 119.800 -0.068 0.000 2.587 100 Q HA 0.394 4.683 4.340 -0.085 0.000 0.293 100 Q C -2.367 173.552 176.000 -0.136 0.000 1.083 100 Q CA -2.360 53.392 55.803 -0.084 0.000 0.792 100 Q CB 1.640 30.343 28.738 -0.058 0.000 1.484 100 Q HN -0.263 7.808 8.270 -0.065 0.160 0.446 101 R N 0.040 120.436 120.500 -0.174 0.000 2.229 101 R HA 0.434 4.747 4.340 -0.319 -0.164 0.328 101 R C 0.270 176.377 176.300 -0.323 0.000 1.009 101 R CA -0.626 55.292 56.100 -0.303 0.000 0.864 101 R CB 0.682 30.731 30.300 -0.420 0.000 1.085 101 R HN 0.425 8.615 8.270 -0.134 0.000 0.453 102 K N 4.806 124.953 120.400 -0.422 0.000 2.263 102 K HA 0.268 4.337 4.320 -0.418 0.000 0.272 102 K C -1.433 174.807 176.600 -0.600 0.000 1.033 102 K CA -0.536 55.400 56.287 -0.585 0.000 0.884 102 K CB 1.947 33.941 32.500 -0.844 0.000 1.107 102 K HN 0.779 8.672 8.250 -0.409 0.111 0.460 103 W N 5.737 126.803 121.300 -0.390 0.000 2.311 103 W HA 0.230 5.059 4.660 -0.055 -0.203 0.317 103 W C -0.198 176.308 176.519 -0.022 0.000 1.065 103 W CA -1.243 56.017 57.345 -0.143 0.000 1.364 103 W CB 0.681 30.082 29.460 -0.099 0.000 1.233 103 W HN 0.519 8.682 8.180 -0.028 0.000 0.409 104 Y N 2.973 123.493 120.300 0.367 0.000 2.462 104 Y HA 0.311 4.980 4.550 0.197 0.000 0.346 104 Y C -0.754 175.320 175.900 0.291 0.000 0.976 104 Y CA -2.345 55.907 58.100 0.253 0.000 1.044 104 Y CB 3.464 42.028 38.460 0.173 0.000 1.230 104 Y HN 0.492 9.047 8.280 0.459 0.000 0.455 105 K N 1.522 122.144 120.400 0.370 0.000 2.416 105 K HA 0.096 4.670 4.320 0.296 -0.076 0.283 105 K C 1.247 177.944 176.600 0.161 0.000 1.037 105 K CA 0.276 56.716 56.287 0.254 0.000 0.995 105 K CB 0.641 33.250 32.500 0.181 0.000 0.938 105 K HN 0.468 8.904 8.250 0.311 0.000 0.475 106 R N 3.064 123.606 120.500 0.070 0.000 2.295 106 R HA -0.404 3.858 4.340 -0.130 0.000 0.265 106 R C 2.176 178.432 176.300 -0.074 0.000 1.203 106 R CA 3.154 59.192 56.100 -0.104 0.000 1.023 106 R CB -0.688 29.437 30.300 -0.291 0.000 0.880 106 R HN 0.776 9.095 8.270 0.082 0.000 0.481 107 M N -4.466 115.135 119.600 0.000 0.000 2.460 107 M HA -0.079 4.439 4.480 0.064 0.000 0.263 107 M C 0.526 176.826 176.300 0.000 0.000 1.071 107 M CA 2.502 57.826 55.300 0.041 0.000 1.096 107 M CB -0.169 32.484 32.600 0.090 0.000 1.408 107 M HN -0.800 7.563 8.290 0.028 -0.056 0.463 108 A N -1.574 121.202 122.820 -0.074 0.000 2.307 108 A HA 0.269 4.487 4.320 -0.170 0.000 0.218 108 A C -1.155 176.369 177.584 -0.101 0.000 1.228 108 A CA -0.085 51.816 52.037 -0.226 0.000 0.857 108 A CB 0.775 19.298 19.000 -0.796 0.000 0.897 108 A HN -0.273 7.828 8.150 -0.029 0.032 0.495 109 V N -5.531 114.360 119.914 -0.039 0.000 2.769 109 V HA 0.930 5.120 4.120 -0.103 -0.133 0.312 109 V C -1.953 174.016 176.094 -0.207 0.000 1.061 109 V CA -2.024 60.229 62.300 -0.080 0.000 0.931 109 V CB 3.391 35.218 31.823 0.006 0.000 1.010 109 V HN -0.776 7.287 8.190 -0.053 0.095 0.433 110 I N -1.243 119.122 120.570 -0.342 0.000 3.145 110 I HA 0.724 4.694 4.170 -0.536 -0.121 0.313 110 I C -1.453 174.344 176.117 -0.534 0.000 1.122 110 I CA -2.134 58.841 61.300 -0.542 0.000 0.987 110 I CB 3.880 41.417 38.000 -0.773 0.000 1.236 110 I HN 0.160 8.188 8.210 -0.305 0.000 0.453 111 L N -4.267 116.573 121.223 -0.640 0.000 2.469 111 L HA 0.563 4.617 4.340 -0.477 0.000 0.256 111 L C -1.592 174.844 176.870 -0.723 0.000 1.006 111 L CA -1.296 53.171 54.840 -0.621 0.000 0.832 111 L CB 3.013 44.722 42.059 -0.582 0.000 1.421 111 L HN -0.093 7.702 8.230 -0.726 0.000 0.410 112 S N -0.812 114.617 115.700 -0.451 0.000 2.690 112 S HA 0.610 5.126 4.470 -0.151 -0.136 0.291 112 S C 1.208 175.714 174.600 -0.157 0.000 1.138 112 S CA -1.911 56.156 58.200 -0.221 0.000 1.013 112 S CB 2.695 65.892 63.200 -0.005 0.000 1.053 112 S HN -0.358 7.912 8.310 -0.341 -0.165 0.539 113 L N 0.983 122.301 121.223 0.158 0.000 1.990 113 L HA -0.410 4.363 4.340 0.723 0.000 0.213 113 L C 2.064 179.051 176.870 0.195 0.000 1.072 113 L CA 4.239 59.287 54.840 0.346 0.000 0.755 113 L CB -0.486 41.702 42.059 0.215 0.000 0.889 113 L HN 0.590 8.805 8.230 0.146 0.103 0.432 114 E N -3.026 117.230 120.200 0.093 0.000 2.338 114 E HA -0.370 4.132 4.350 0.067 -0.112 0.197 114 E C 2.397 179.024 176.600 0.045 0.000 1.007 114 E CA 2.621 59.056 56.400 0.059 0.000 0.849 114 E CB -0.729 28.992 29.700 0.036 0.000 0.774 114 E HN 0.363 8.769 8.360 0.077 0.000 0.506 115 Q N -3.008 116.809 119.800 0.027 0.000 2.432 115 Q HA -0.123 4.225 4.340 0.014 0.000 0.205 115 Q C 1.496 177.527 176.000 0.053 0.000 0.945 115 Q CA 0.968 56.775 55.803 0.007 0.000 0.924 115 Q CB 0.067 28.768 28.738 -0.060 0.000 1.016 115 Q HN -0.583 7.664 8.270 0.013 0.030 0.503 116 G N -1.254 107.634 108.800 0.147 0.000 2.559 116 G HA2 -0.008 4.127 3.960 0.291 0.000 0.209 116 G HA3 -0.008 4.332 3.960 0.576 -0.035 0.209 116 G C 0.539 175.533 174.900 0.156 0.000 1.151 116 G CA 0.345 45.621 45.100 0.294 0.000 0.824 116 G HN -0.111 8.070 8.290 0.150 0.199 0.543 117 N N 1.977 120.743 118.700 0.109 0.000 2.331 117 N HA -0.217 4.540 4.740 0.029 0.000 0.180 117 N C 1.953 177.472 175.510 0.015 0.000 1.019 117 N CA 2.720 55.798 53.050 0.046 0.000 0.881 117 N CB 0.123 38.632 38.487 0.038 0.000 0.972 117 N HN 0.504 8.848 8.380 0.136 0.118 0.435 118 R N -1.619 118.894 120.500 0.022 0.000 2.120 118 R HA -0.247 4.088 4.340 -0.008 0.000 0.234 118 R C 0.964 177.240 176.300 -0.040 0.000 1.123 118 R CA 2.310 58.410 56.100 -0.000 0.000 0.975 118 R CB -0.297 30.014 30.300 0.018 0.000 0.866 118 R HN -0.744 7.552 8.270 0.043 0.000 0.446 119 L N -1.095 120.115 121.223 -0.021 0.000 2.145 119 L HA 0.154 4.361 4.340 -0.220 0.000 0.201 119 L C 1.290 178.099 176.870 -0.100 0.000 1.075 119 L CA 1.503 56.308 54.840 -0.058 0.000 0.773 119 L CB 0.739 42.871 42.059 0.123 0.000 0.936 119 L HN -0.826 7.389 8.230 0.028 0.032 0.451 120 R N -1.020 119.459 120.500 -0.034 0.000 2.198 120 R HA -0.480 3.954 4.340 -0.020 -0.106 0.258 120 R C 1.753 178.022 176.300 -0.052 0.000 1.173 120 R CA 2.999 59.079 56.100 -0.033 0.000 0.991 120 R CB -0.974 29.312 30.300 -0.023 0.000 0.879 120 R HN 0.385 8.478 8.270 0.004 0.180 0.460 121 E N -3.816 116.334 120.200 -0.084 0.000 2.190 121 E HA -0.127 4.190 4.350 -0.054 0.000 0.191 121 E C 1.256 177.777 176.600 -0.133 0.000 0.978 121 E CA 1.316 57.664 56.400 -0.087 0.000 0.839 121 E CB -0.052 29.600 29.700 -0.080 0.000 0.787 121 E HN -0.019 8.235 8.360 -0.096 0.049 0.473 122 Q N -1.872 117.769 119.800 -0.265 0.000 2.304 122 Q HA -0.012 4.168 4.340 -0.268 0.000 0.204 122 Q C 1.322 177.059 176.000 -0.440 0.000 0.936 122 Q CA 1.456 56.990 55.803 -0.449 0.000 0.878 122 Q CB 1.566 29.841 28.738 -0.773 0.000 0.983 122 Q HN 0.030 8.007 8.270 -0.293 0.116 0.516 123 Y N -3.611 116.674 120.300 -0.025 0.000 2.672 123 Y HA 0.308 4.815 4.550 -0.072 0.000 0.252 123 Y C -0.792 175.058 175.900 -0.083 0.000 1.132 123 Y CA -1.325 56.741 58.100 -0.057 0.000 1.228 123 Y CB 1.120 39.547 38.460 -0.055 0.000 1.310 123 Y HN 0.306 8.278 8.280 -0.316 0.118 0.549 124 G N -0.817 108.001 108.800 0.030 0.000 4.314 124 G HA2 -0.165 3.774 3.960 -0.026 0.000 0.131 124 G HA3 -0.165 3.928 3.960 -0.034 -0.153 0.131 124 G C 0.376 175.269 174.900 -0.011 0.000 1.870 124 G CA 0.684 45.777 45.100 -0.011 0.000 0.933 124 G HN -0.824 7.466 8.290 0.000 0.000 0.294 125 L N 3.279 124.488 121.223 -0.022 0.000 2.865 125 L HA -0.223 4.047 4.340 -0.116 0.000 0.249 125 L C -0.961 175.871 176.870 -0.064 0.000 1.187 125 L CA 0.423 55.219 54.840 -0.074 0.000 0.856 125 L CB -2.271 39.729 42.059 -0.099 0.000 1.023 125 L HN 0.295 8.528 8.230 0.006 0.000 0.461 126 G N -3.625 105.172 108.800 -0.006 0.000 2.287 126 G HA2 0.179 4.163 3.960 0.041 0.000 0.303 126 G HA3 0.179 4.143 3.960 0.008 0.000 0.303 126 G C -2.471 172.477 174.900 0.080 0.000 2.212 126 G CA -0.169 44.949 45.100 0.030 0.000 0.928 126 G HN -0.348 7.803 8.290 0.010 0.144 0.440 127 P HA 0.050 4.551 4.420 0.136 0.000 0.230 127 P C -1.345 176.065 177.300 0.183 0.000 1.168 127 P CA 0.345 63.549 63.100 0.174 0.000 0.793 127 P CB 0.780 32.630 31.700 0.248 0.000 0.851 128 Y N -0.942 119.375 120.300 0.028 0.000 2.549 128 Y HA 0.114 4.668 4.550 0.006 0.000 0.339 128 Y C -1.416 174.486 175.900 0.004 0.000 1.053 128 Y CA -2.177 55.928 58.100 0.009 0.000 1.105 128 Y CB 2.488 40.946 38.460 -0.002 0.000 1.258 128 Y HN -0.590 7.797 8.280 0.242 0.038 0.478 129 E N 0.000 119.983 120.200 -0.361 0.000 2.725 129 E HA 0.000 4.297 4.350 -0.088 0.000 0.291 129 E CA 0.000 56.277 56.400 -0.205 0.000 0.976 129 E CB 0.000 29.552 29.700 -0.247 0.000 0.812 129 E HN 0.000 7.765 8.360 -0.991 0.000 0.440