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 2izc_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.390 4.320 0.117 0.000 0.244 13 A C 0.000 177.542 177.584 -0.069 0.000 1.274 13 A CA 0.000 52.074 52.037 0.062 0.000 0.836 13 A CB 0.000 19.028 19.000 0.047 0.000 0.831 14 E N 2.654 122.834 120.200 -0.033 0.000 2.051 14 E HA -0.393 3.646 4.350 -0.519 0.000 0.192 14 E C 1.366 177.829 176.600 -0.229 0.000 0.991 14 E CA 3.044 59.321 56.400 -0.206 0.000 0.799 14 E CB -0.612 29.078 29.700 -0.016 0.000 0.748 14 E HN 0.682 9.081 8.360 0.065 0.000 0.449 15 A N 0.388 123.134 122.820 -0.124 0.000 1.869 15 A HA -0.347 3.908 4.320 -0.109 0.000 0.218 15 A C 2.499 180.002 177.584 -0.134 0.000 1.203 15 A CA 2.838 54.811 52.037 -0.107 0.000 0.638 15 A CB -1.142 17.826 19.000 -0.054 0.000 0.831 15 A HN 0.214 8.321 8.150 -0.070 0.000 0.450 16 G N -2.693 106.033 108.800 -0.124 0.000 2.545 16 G HA2 -0.268 3.694 3.960 0.002 0.000 0.222 16 G HA3 -0.268 3.655 3.960 -0.062 0.000 0.222 16 G C 1.401 176.158 174.900 -0.239 0.000 1.126 16 G CA 1.815 46.853 45.100 -0.104 0.000 0.754 16 G HN 0.429 8.665 8.290 -0.090 0.000 0.583 17 I N 0.971 121.267 120.570 -0.455 0.000 2.480 17 I HA -0.200 3.835 4.170 -0.224 0.000 0.251 17 I C -0.091 175.972 176.117 -0.090 0.000 1.124 17 I CA 1.804 62.877 61.300 -0.379 0.000 1.444 17 I CB 0.368 37.973 38.000 -0.658 0.000 1.098 17 I HN -0.731 7.079 8.210 -0.465 0.120 0.428 18 T N 1.705 116.145 114.554 -0.190 0.000 2.934 18 T HA -0.298 4.120 4.350 -0.204 -0.190 0.306 18 T C 0.306 174.928 174.700 -0.129 0.000 1.042 18 T CA 3.213 65.215 62.100 -0.164 0.000 1.145 18 T CB -0.052 68.719 68.868 -0.162 0.000 0.982 18 T HN -0.290 7.718 8.240 -0.245 0.085 0.544 19 G N 6.190 114.895 108.800 -0.159 0.000 2.350 19 G HA2 -0.122 3.554 3.960 -0.214 0.000 0.282 19 G HA3 -0.122 3.762 3.960 -0.349 -0.134 0.282 19 G C -2.925 171.820 174.900 -0.259 0.000 1.314 19 G CA 0.308 45.260 45.100 -0.246 0.000 0.915 19 G HN 0.314 8.493 8.290 -0.185 0.000 0.499 20 T N 2.804 117.157 114.554 -0.335 0.000 2.794 20 T HA 0.819 5.249 4.350 -0.145 -0.167 0.280 20 T C -1.192 173.313 174.700 -0.324 0.000 0.987 20 T CA 0.836 62.808 62.100 -0.214 0.000 0.993 20 T CB 1.696 70.489 68.868 -0.126 0.000 0.939 20 T HN 0.320 8.192 8.240 -0.376 0.143 0.449 21 W N 5.283 126.502 121.300 -0.135 0.000 2.950 21 W HA 0.690 5.385 4.660 -0.211 -0.162 0.340 21 W C -1.695 174.892 176.519 0.113 0.000 1.139 21 W CA -1.387 55.915 57.345 -0.072 0.000 1.188 21 W CB 3.989 33.481 29.460 0.053 0.000 1.426 21 W HN 0.894 9.154 8.180 0.133 0.000 0.531 22 Y N -4.862 115.737 120.300 0.499 0.000 2.545 22 Y HA 1.061 6.028 4.550 0.330 -0.219 0.348 22 Y C -1.727 174.368 175.900 0.326 0.000 1.002 22 Y CA -3.037 55.269 58.100 0.344 0.000 1.039 22 Y CB 2.273 40.832 38.460 0.166 0.000 1.271 22 Y HN 0.709 8.727 8.280 -0.437 0.000 0.467 23 N N -0.530 118.351 118.700 0.303 0.000 2.619 23 N HA 0.679 5.559 4.740 -0.082 -0.190 0.294 23 N C 2.060 177.634 175.510 0.107 0.000 1.279 23 N CA -2.959 50.054 53.050 -0.060 0.000 0.867 23 N CB 2.222 40.366 38.487 -0.572 0.000 1.329 23 N HN -0.240 8.336 8.380 0.327 0.000 0.557 24 Q N -1.009 118.819 119.800 0.048 0.000 2.364 24 Q HA -0.154 4.251 4.340 0.108 0.000 0.209 24 Q C 0.401 176.442 176.000 0.068 0.000 0.977 24 Q CA 2.382 58.233 55.803 0.080 0.000 0.885 24 Q CB -0.777 28.003 28.738 0.070 0.000 0.941 24 Q HN 0.373 8.628 8.270 -0.026 0.000 0.464 25 L N -4.025 117.237 121.223 0.065 0.000 2.509 25 L HA -0.028 4.342 4.340 0.051 0.000 0.222 25 L C 0.753 177.664 176.870 0.068 0.000 1.123 25 L CA -0.199 54.678 54.840 0.063 0.000 0.856 25 L CB 0.505 42.605 42.059 0.068 0.000 0.985 25 L HN -0.490 7.999 8.230 0.056 -0.226 0.456 26 G N -1.671 107.182 108.800 0.089 0.000 2.148 26 G HA2 -0.211 3.795 3.960 0.075 0.000 0.203 26 G HA3 -0.211 3.782 3.960 0.054 0.000 0.203 26 G C -0.673 174.292 174.900 0.108 0.000 0.993 26 G CA 0.041 45.190 45.100 0.081 0.000 0.661 26 G HN -0.345 7.969 8.290 0.105 0.039 0.518 27 S N 1.045 116.831 115.700 0.144 0.000 2.632 27 S HA 0.372 4.965 4.470 0.109 -0.058 0.271 27 S C -0.846 173.817 174.600 0.105 0.000 1.260 27 S CA 0.825 59.102 58.200 0.128 0.000 1.010 27 S CB 1.624 64.964 63.200 0.234 0.000 0.965 27 S HN -0.612 8.042 8.310 0.153 -0.252 0.534 28 T N 3.962 118.499 114.554 -0.029 0.000 2.823 28 T HA 0.626 5.221 4.350 0.142 -0.161 0.279 28 T C -1.490 173.076 174.700 -0.224 0.000 0.998 28 T CA -0.263 61.833 62.100 -0.008 0.000 0.994 28 T CB 1.682 70.557 68.868 0.012 0.000 0.960 28 T HN 0.689 8.885 8.240 -0.073 0.000 0.448 29 F N 7.940 127.727 119.950 -0.271 0.000 2.539 29 F HA 0.650 5.015 4.527 -0.494 -0.133 0.328 29 F C -3.129 172.568 175.800 -0.171 0.000 1.148 29 F CA -2.418 55.342 58.000 -0.400 0.000 0.940 29 F CB 3.604 42.262 39.000 -0.570 0.000 1.194 29 F HN 0.766 9.151 8.300 0.142 0.000 0.438 30 I N 8.109 128.469 120.570 -0.350 0.000 2.355 30 I HA 0.657 4.810 4.170 -0.293 -0.159 0.288 30 I C -2.281 173.537 176.117 -0.497 0.000 0.999 30 I CA -2.195 58.910 61.300 -0.325 0.000 1.163 30 I CB 0.639 38.540 38.000 -0.166 0.000 1.316 30 I HN 0.783 8.856 8.210 -0.228 0.000 0.454 31 V N 8.221 127.788 119.914 -0.578 0.000 2.962 31 V HA 0.833 4.846 4.120 -0.450 -0.163 0.313 31 V C -2.068 173.821 176.094 -0.341 0.000 1.099 31 V CA -3.088 58.876 62.300 -0.560 0.000 0.971 31 V CB 4.875 36.111 31.823 -0.978 0.000 1.028 31 V HN 0.902 8.811 8.190 -0.468 0.000 0.430 32 T N 8.268 122.663 114.554 -0.266 0.000 2.841 32 T HA 0.259 4.493 4.350 -0.192 0.000 0.285 32 T C -2.174 172.417 174.700 -0.183 0.000 0.991 32 T CA -0.672 61.315 62.100 -0.189 0.000 0.966 32 T CB 1.802 70.594 68.868 -0.126 0.000 0.962 32 T HN 0.576 8.661 8.240 -0.258 0.000 0.438 33 A N 7.486 130.180 122.820 -0.211 0.000 2.274 33 A HA 0.781 5.177 4.320 -0.170 -0.178 0.309 33 A C -0.849 176.709 177.584 -0.043 0.000 1.226 33 A CA -1.917 49.979 52.037 -0.235 0.000 0.853 33 A CB 1.470 20.116 19.000 -0.590 0.000 1.146 33 A HN 0.341 8.364 8.150 -0.213 0.000 0.518 34 G N 1.007 109.867 108.800 0.101 0.000 2.462 34 G HA2 0.299 4.284 3.960 0.043 0.000 0.319 34 G HA3 0.299 4.304 3.960 0.076 0.000 0.319 34 G C -0.253 174.747 174.900 0.168 0.000 1.171 34 G CA -1.467 43.690 45.100 0.096 0.000 0.920 34 G HN 0.726 9.005 8.290 0.174 0.116 0.499 35 A N 0.021 122.896 122.820 0.091 0.000 1.986 35 A HA -0.247 4.133 4.320 0.099 0.000 0.220 35 A C 0.202 177.806 177.584 0.034 0.000 1.171 35 A CA 2.512 54.592 52.037 0.072 0.000 0.640 35 A CB -0.327 18.695 19.000 0.035 0.000 0.811 35 A HN 0.463 8.647 8.150 0.057 0.000 0.451 36 D N -6.416 113.997 120.400 0.021 0.000 2.325 36 D HA -0.052 4.564 4.640 -0.041 0.000 0.234 36 D C 0.275 176.522 176.300 -0.089 0.000 1.122 36 D CA -1.154 52.830 54.000 -0.027 0.000 0.850 36 D CB -0.824 39.971 40.800 -0.010 0.000 0.921 36 D HN -0.398 7.966 8.370 0.039 0.029 0.513 37 G N -1.811 106.897 108.800 -0.154 0.000 2.175 37 G HA2 -0.444 2.690 3.960 -1.377 0.000 0.244 37 G HA3 -0.444 3.284 3.960 -0.386 0.000 0.244 37 G C -1.433 173.464 174.900 -0.006 0.000 0.982 37 G CA 0.096 44.926 45.100 -0.450 0.000 0.641 37 G HN -0.123 8.079 8.290 -0.031 0.070 0.527 38 A N -0.144 122.763 122.820 0.146 0.000 2.302 38 A HA 0.490 5.013 4.320 0.135 -0.122 0.285 38 A C -1.974 175.732 177.584 0.203 0.000 1.105 38 A CA -1.173 50.958 52.037 0.156 0.000 0.816 38 A CB 2.351 21.399 19.000 0.080 0.000 1.067 38 A HN -0.740 7.592 8.150 0.119 -0.110 0.489 39 L N 1.397 122.698 121.223 0.129 0.000 2.381 39 L HA 1.030 5.568 4.340 -0.033 -0.218 0.274 39 L C -0.812 176.058 176.870 0.001 0.000 0.988 39 L CA -1.083 53.776 54.840 0.032 0.000 0.824 39 L CB 4.190 46.288 42.059 0.065 0.000 1.263 39 L HN -0.077 8.227 8.230 0.123 0.000 0.410 40 T N -0.087 114.432 114.554 -0.058 0.000 2.883 40 T HA 0.821 5.339 4.350 -0.015 -0.177 0.301 40 T C -0.995 173.642 174.700 -0.106 0.000 1.158 40 T CA -2.200 59.873 62.100 -0.045 0.000 1.007 40 T CB 3.441 72.295 68.868 -0.024 0.000 1.186 40 T HN 0.231 8.409 8.240 -0.102 0.000 0.499 41 G N -0.570 108.183 108.800 -0.079 0.000 2.344 41 G HA2 0.254 4.153 3.960 -0.103 0.000 0.282 41 G HA3 0.254 4.303 3.960 -0.195 -0.206 0.282 41 G C -2.768 172.115 174.900 -0.029 0.000 1.281 41 G CA 1.074 46.109 45.100 -0.108 0.000 0.877 41 G HN -0.459 7.811 8.290 -0.034 0.000 0.494 42 T N -2.395 112.148 114.554 -0.018 0.000 2.906 42 T HA 1.003 5.617 4.350 0.128 -0.187 0.295 42 T C -2.456 172.343 174.700 0.166 0.000 1.061 42 T CA -2.338 59.814 62.100 0.087 0.000 1.000 42 T CB 3.668 72.571 68.868 0.058 0.000 1.103 42 T HN 0.041 8.230 8.240 -0.085 0.000 0.486 43 Y N 1.825 122.224 120.300 0.165 0.000 2.425 43 Y HA 0.627 5.474 4.550 0.220 -0.165 0.344 43 Y C -2.562 173.558 175.900 0.367 0.000 0.969 43 Y CA -1.873 56.374 58.100 0.245 0.000 1.052 43 Y CB 4.697 43.283 38.460 0.212 0.000 1.215 43 Y HN 0.852 9.253 8.280 0.378 0.106 0.451 44 E N 8.355 128.681 120.200 0.210 0.000 2.145 44 E HA 0.513 5.294 4.350 0.438 -0.168 0.262 44 E C -1.895 174.883 176.600 0.297 0.000 0.883 44 E CA -1.626 54.945 56.400 0.284 0.000 0.748 44 E CB 3.157 32.928 29.700 0.118 0.000 1.140 44 E HN 0.697 8.939 8.360 -0.197 0.000 0.417 45 S N 7.534 123.514 115.700 0.467 0.000 2.578 45 S HA 0.155 4.893 4.470 0.446 0.000 0.283 45 S C -0.282 174.418 174.600 0.166 0.000 1.195 45 S CA -1.504 56.911 58.200 0.358 0.000 1.050 45 S CB 1.266 64.549 63.200 0.137 0.000 1.012 45 S HN 0.550 9.195 8.310 0.557 0.000 0.511 46 A N 6.165 129.056 122.820 0.120 0.000 2.220 46 A HA 0.202 4.559 4.320 0.062 0.000 0.211 46 A C -0.344 177.244 177.584 0.008 0.000 1.176 46 A CA 0.619 52.693 52.037 0.062 0.000 0.834 46 A CB 0.848 19.888 19.000 0.067 0.000 0.868 46 A HN 0.513 8.760 8.150 0.161 0.000 0.488 47 V N -5.105 114.786 119.914 -0.038 0.000 3.155 47 V HA 0.586 4.667 4.120 -0.066 0.000 0.313 47 V C -0.177 175.796 176.094 -0.201 0.000 1.162 47 V CA -1.714 60.528 62.300 -0.097 0.000 1.048 47 V CB 1.862 33.630 31.823 -0.093 0.000 1.092 47 V HN -0.286 7.847 8.190 -0.031 0.039 0.447 48 G N 1.558 110.237 108.800 -0.202 0.000 2.725 48 G HA2 -0.308 3.510 3.960 -0.237 0.000 0.220 48 G HA3 -0.308 3.384 3.960 -0.447 0.000 0.220 48 G C -0.739 174.045 174.900 -0.194 0.000 1.357 48 G CA -0.031 44.903 45.100 -0.277 0.000 0.866 48 G HN 0.315 8.518 8.290 -0.145 0.000 0.548 49 N N 1.534 120.111 118.700 -0.206 0.000 3.324 49 N HA 0.084 4.797 4.740 -0.046 0.000 0.302 49 N C -1.946 173.526 175.510 -0.062 0.000 1.360 49 N CA -1.167 51.831 53.050 -0.088 0.000 1.190 49 N CB -1.326 37.129 38.487 -0.054 0.000 1.462 49 N HN 0.238 8.444 8.380 -0.290 0.000 0.532 50 A N 0.057 122.845 122.820 -0.053 0.000 2.343 50 A HA 0.391 4.884 4.320 0.287 0.000 0.316 50 A C -1.368 176.369 177.584 0.255 0.000 1.104 50 A CA -1.262 50.847 52.037 0.121 0.000 0.768 50 A CB 2.341 21.268 19.000 -0.122 0.000 1.213 50 A HN -0.576 7.455 8.150 -0.076 0.073 0.456 51 E N 4.799 125.241 120.200 0.403 0.000 2.316 51 E HA 0.259 4.693 4.350 0.140 0.000 0.254 51 E C -1.204 175.447 176.600 0.085 0.000 0.902 51 E CA -0.317 56.196 56.400 0.187 0.000 0.801 51 E CB 2.215 31.978 29.700 0.105 0.000 1.270 51 E HN 0.617 9.383 8.360 0.676 0.000 0.414 52 S N 1.279 117.020 115.700 0.068 0.000 3.983 52 S HA -0.313 4.248 4.470 -0.022 -0.103 0.636 52 S C -1.456 173.174 174.600 0.051 0.000 1.724 52 S CA 0.217 58.399 58.200 -0.029 0.000 1.966 52 S CB 0.269 63.367 63.200 -0.170 0.000 0.329 52 S HN 0.219 8.600 8.310 0.119 0.000 1.703 53 R N 1.452 121.934 120.500 -0.031 0.000 2.457 53 R HA 0.456 5.156 4.340 0.285 -0.188 0.284 53 R C -0.843 175.391 176.300 -0.111 0.000 1.024 53 R CA -0.443 55.702 56.100 0.076 0.000 1.025 53 R CB 1.444 31.783 30.300 0.064 0.000 1.063 53 R HN 0.018 8.253 8.270 -0.059 0.000 0.493 54 Y N -0.921 119.506 120.300 0.211 0.000 2.499 54 Y HA 0.193 4.819 4.550 0.128 0.000 0.347 54 Y C -0.613 175.341 175.900 0.089 0.000 0.987 54 Y CA -1.204 56.983 58.100 0.146 0.000 1.044 54 Y CB 2.947 41.487 38.460 0.133 0.000 1.245 54 Y HN 0.512 8.989 8.280 0.502 0.104 0.461 55 V N 2.381 122.399 119.914 0.175 0.000 2.614 55 V HA 0.016 4.330 4.120 0.093 -0.139 0.291 55 V C -0.383 175.766 176.094 0.091 0.000 1.049 55 V CA 1.502 63.862 62.300 0.101 0.000 1.038 55 V CB 0.252 32.109 31.823 0.058 0.000 0.980 55 V HN 0.730 9.019 8.190 0.165 0.000 0.481 56 L N 2.467 123.743 121.223 0.088 0.000 2.354 56 L HA 1.091 5.671 4.340 0.114 -0.172 0.264 56 L C -1.383 175.539 176.870 0.087 0.000 1.008 56 L CA -1.775 53.133 54.840 0.113 0.000 0.819 56 L CB 4.246 46.392 42.059 0.145 0.000 1.339 56 L HN 0.405 8.677 8.230 0.070 0.000 0.420 57 T N 0.907 115.540 114.554 0.130 0.000 2.956 57 T HA 0.710 5.298 4.350 0.078 -0.191 0.312 57 T C -1.379 173.432 174.700 0.186 0.000 1.151 57 T CA -1.319 60.846 62.100 0.110 0.000 1.024 57 T CB 2.242 71.154 68.868 0.074 0.000 1.140 57 T HN -0.172 8.178 8.240 0.184 0.000 0.473 58 G N 3.145 112.052 108.800 0.179 0.000 2.619 58 G HA2 0.693 4.783 3.960 0.216 0.000 0.305 58 G HA3 0.693 4.988 3.960 0.347 -0.127 0.305 58 G C -2.884 172.131 174.900 0.190 0.000 1.330 58 G CA 0.453 45.696 45.100 0.239 0.000 0.789 58 G HN 0.364 8.732 8.290 0.131 0.000 0.487 59 R N -3.641 116.988 120.500 0.214 0.000 2.774 59 R HA 1.164 5.839 4.340 0.209 -0.210 0.272 59 R C -1.716 174.749 176.300 0.275 0.000 1.000 59 R CA -2.445 53.771 56.100 0.193 0.000 0.906 59 R CB 4.992 35.347 30.300 0.091 0.000 1.227 59 R HN 0.138 8.553 8.270 0.243 0.000 0.468 60 Y N -3.018 117.315 120.300 0.055 0.000 2.609 60 Y HA 0.579 5.284 4.550 0.078 -0.109 0.342 60 Y C -1.759 174.167 175.900 0.044 0.000 1.058 60 Y CA -2.701 55.433 58.100 0.057 0.000 1.055 60 Y CB 2.622 41.103 38.460 0.036 0.000 1.292 60 Y HN 0.481 8.793 8.280 0.053 0.000 0.476 61 D N 1.170 121.579 120.400 0.016 0.000 2.454 61 D HA 0.131 4.667 4.640 -0.174 0.000 0.225 61 D C -0.199 176.076 176.300 -0.041 0.000 1.081 61 D CA -1.705 52.248 54.000 -0.077 0.000 0.864 61 D CB 0.321 41.131 40.800 0.016 0.000 1.040 61 D HN 0.118 8.604 8.370 0.193 0.000 0.517 62 S N 5.506 121.084 115.700 -0.202 0.000 3.399 62 S HA -0.214 4.306 4.470 0.084 0.000 0.267 62 S C -0.600 174.009 174.600 0.016 0.000 1.088 62 S CA 0.787 58.950 58.200 -0.062 0.000 1.306 62 S CB -0.604 62.510 63.200 -0.143 0.000 1.601 62 S HN 0.182 8.267 8.310 -0.376 0.000 0.558 63 A N 5.784 128.646 122.820 0.070 0.000 2.409 63 A HA 0.224 4.567 4.320 0.038 0.000 0.267 63 A C -1.484 176.138 177.584 0.064 0.000 1.127 63 A CA -2.353 49.721 52.037 0.062 0.000 0.795 63 A CB 0.204 19.253 19.000 0.082 0.000 1.061 63 A HN -0.204 7.995 8.150 0.117 0.022 0.502 64 P HA -0.186 4.262 4.420 0.046 0.000 0.243 64 P C -1.345 175.984 177.300 0.048 0.000 1.134 64 P CA 0.423 63.548 63.100 0.042 0.000 1.109 64 P CB -1.245 30.473 31.700 0.029 0.000 1.140 65 A N 6.372 129.228 122.820 0.060 0.000 3.290 65 A HA 0.316 4.668 4.320 0.053 0.000 0.297 65 A C -0.433 177.181 177.584 0.051 0.000 1.285 65 A CA -0.988 51.085 52.037 0.060 0.000 1.060 65 A CB 0.023 19.072 19.000 0.082 0.000 1.114 65 A HN -0.205 7.989 8.150 0.067 -0.004 0.601 66 T N -1.517 113.062 114.554 0.041 0.000 3.609 66 T HA -0.060 4.312 4.350 0.037 0.000 0.245 66 T C -0.767 173.950 174.700 0.029 0.000 0.980 66 T CA 0.689 62.809 62.100 0.034 0.000 0.940 66 T CB -1.000 67.885 68.868 0.029 0.000 1.105 66 T HN -0.088 8.127 8.240 0.038 0.047 0.627 67 D N 0.855 121.274 120.400 0.031 0.000 2.500 67 D HA 0.037 4.690 4.640 0.022 0.000 0.217 67 D C 0.706 177.020 176.300 0.024 0.000 1.159 67 D CA 0.071 54.086 54.000 0.025 0.000 0.828 67 D CB 0.316 41.131 40.800 0.025 0.000 1.039 67 D HN -0.273 7.973 8.370 0.037 0.145 0.512 68 G N 0.556 109.372 108.800 0.027 0.000 2.137 68 G HA2 -0.419 3.554 3.960 0.021 0.000 0.237 68 G HA3 -0.419 3.552 3.960 0.017 0.000 0.237 68 G C -0.356 174.556 174.900 0.020 0.000 1.002 68 G CA 0.413 45.525 45.100 0.021 0.000 0.702 68 G HN -0.408 7.902 8.290 0.033 0.000 0.515 69 S N 1.134 116.852 115.700 0.030 0.000 2.646 69 S HA 0.145 4.631 4.470 0.026 0.000 0.276 69 S C 0.026 174.651 174.600 0.042 0.000 1.222 69 S CA 0.063 58.284 58.200 0.034 0.000 1.014 69 S CB 1.482 64.707 63.200 0.040 0.000 0.991 69 S HN -0.458 7.844 8.310 0.036 0.029 0.533 70 G N 0.131 108.957 108.800 0.043 0.000 2.528 70 G HA2 0.253 4.297 3.960 0.028 0.000 0.289 70 G HA3 0.253 4.239 3.960 0.044 0.000 0.289 70 G C -1.142 173.825 174.900 0.112 0.000 1.192 70 G CA -0.730 44.403 45.100 0.054 0.000 0.921 70 G HN 0.029 8.342 8.290 0.039 0.000 0.512 71 T N 4.056 118.720 114.554 0.182 0.000 2.749 71 T HA 0.135 4.595 4.350 0.184 0.000 0.287 71 T C -0.797 174.030 174.700 0.211 0.000 0.970 71 T CA 0.534 62.773 62.100 0.230 0.000 0.980 71 T CB 1.285 70.364 68.868 0.352 0.000 0.924 71 T HN 0.325 8.575 8.240 0.198 0.109 0.456 72 A N 9.132 132.053 122.820 0.168 0.000 2.401 72 A HA 0.614 5.191 4.320 0.142 -0.171 0.259 72 A C -1.448 176.249 177.584 0.188 0.000 1.103 72 A CA -0.405 51.721 52.037 0.149 0.000 0.789 72 A CB 1.028 20.090 19.000 0.104 0.000 1.035 72 A HN 0.735 8.973 8.150 0.148 0.000 0.491 73 L N -3.752 117.587 121.223 0.192 0.000 2.765 73 L HA 1.005 5.584 4.340 0.231 -0.100 0.263 73 L C -1.432 175.568 176.870 0.218 0.000 1.068 73 L CA -1.512 53.472 54.840 0.239 0.000 0.903 73 L CB 2.999 45.232 42.059 0.290 0.000 1.512 73 L HN 0.172 8.503 8.230 0.169 0.000 0.404 74 G N -3.553 105.410 108.800 0.273 0.000 2.632 74 G HA2 0.663 4.816 3.960 0.081 0.000 0.292 74 G HA3 0.663 4.684 3.960 0.101 0.000 0.292 74 G C -3.442 171.668 174.900 0.350 0.000 1.465 74 G CA 1.002 46.215 45.100 0.190 0.000 0.824 74 G HN -0.104 8.376 8.290 0.318 0.000 0.509 75 W N -3.197 118.165 121.300 0.104 0.000 3.005 75 W HA 0.729 5.529 4.660 0.068 -0.099 0.343 75 W C -3.129 173.476 176.519 0.144 0.000 1.243 75 W CA -1.601 55.794 57.345 0.083 0.000 1.186 75 W CB 2.112 31.587 29.460 0.024 0.000 1.453 75 W HN 0.437 8.498 8.180 -0.198 0.000 0.575 76 T N 0.793 115.516 114.554 0.282 0.000 2.907 76 T HA 0.883 5.460 4.350 0.060 -0.191 0.292 76 T C -1.539 173.245 174.700 0.140 0.000 1.043 76 T CA -0.556 61.621 62.100 0.128 0.000 1.003 76 T CB 3.232 72.120 68.868 0.033 0.000 1.084 76 T HN 0.530 8.981 8.240 0.351 0.000 0.483 77 V N 3.524 123.398 119.914 -0.067 0.000 2.623 77 V HA 0.331 4.474 4.120 -0.213 -0.151 0.304 77 V C -2.370 173.298 176.094 -0.710 0.000 1.054 77 V CA -1.115 60.954 62.300 -0.385 0.000 0.882 77 V CB 3.787 35.206 31.823 -0.673 0.000 1.002 77 V HN 0.606 8.715 8.190 -0.134 0.000 0.424 78 A N 5.181 127.697 122.820 -0.507 0.000 2.271 78 A HA 0.591 4.781 4.320 -0.413 -0.118 0.317 78 A C -0.041 177.310 177.584 -0.388 0.000 1.245 78 A CA -1.823 49.992 52.037 -0.371 0.000 0.857 78 A CB 1.663 20.588 19.000 -0.125 0.000 1.175 78 A HN 0.675 8.634 8.150 -0.318 0.000 0.512 79 W N 5.556 126.809 121.300 -0.077 0.000 1.435 79 W HA -0.142 4.243 4.660 -0.457 0.000 0.471 79 W C -1.365 175.217 176.519 0.104 0.000 0.590 79 W CA -1.163 56.078 57.345 -0.174 0.000 2.419 79 W CB -0.877 28.418 29.460 -0.275 0.000 1.251 79 W HN 0.524 8.534 8.180 -0.284 0.000 0.338 80 K N 0.826 121.467 120.400 0.401 0.000 2.513 80 K HA 0.719 5.431 4.320 0.291 -0.218 0.251 80 K C -1.800 174.956 176.600 0.260 0.000 0.939 80 K CA -1.086 55.370 56.287 0.281 0.000 0.793 80 K CB 3.142 35.702 32.500 0.100 0.000 1.241 80 K HN -0.219 8.165 8.250 0.355 0.079 0.431 81 N N 4.938 123.719 118.700 0.135 0.000 3.506 81 N HA 0.253 4.981 4.740 -0.020 0.000 0.331 81 N C -0.727 174.724 175.510 -0.100 0.000 1.631 81 N CA -1.255 51.772 53.050 -0.038 0.000 0.786 81 N CB 0.726 39.066 38.487 -0.245 0.000 2.023 81 N HN 0.877 9.349 8.380 0.153 0.000 0.621 82 N N -1.372 117.175 118.700 -0.255 0.000 2.494 82 N HA 0.028 4.593 4.740 -0.291 0.000 0.182 82 N C 0.145 175.256 175.510 -0.666 0.000 1.076 82 N CA 2.273 55.027 53.050 -0.494 0.000 0.908 82 N CB 0.225 38.281 38.487 -0.719 0.000 0.967 82 N HN 0.123 8.368 8.380 -0.225 0.000 0.449 83 Y N -2.200 118.083 120.300 -0.029 0.000 2.500 83 Y HA 0.072 4.622 4.550 0.000 0.000 0.284 83 Y C -0.070 175.845 175.900 0.026 0.000 1.118 83 Y CA 1.328 59.425 58.100 -0.005 0.000 1.241 83 Y CB 1.625 40.074 38.460 -0.018 0.000 1.171 83 Y HN -0.522 7.868 8.280 -0.151 -0.200 0.540 84 R N -2.846 117.767 120.500 0.188 0.000 2.808 84 R HA 0.281 4.697 4.340 0.126 0.000 0.272 84 R C -2.462 173.925 176.300 0.144 0.000 0.995 84 R CA -1.327 54.876 56.100 0.171 0.000 0.917 84 R CB 4.152 34.598 30.300 0.243 0.000 1.217 84 R HN 0.129 8.925 8.270 0.178 -0.419 0.471 85 N N 0.708 119.438 118.700 0.051 0.000 2.581 85 N HA 0.309 5.168 4.740 -0.013 -0.126 0.279 85 N C -1.661 173.664 175.510 -0.309 0.000 1.124 85 N CA 0.067 53.050 53.050 -0.113 0.000 0.833 85 N CB 1.405 39.766 38.487 -0.211 0.000 1.338 85 N HN 0.361 8.769 8.380 0.047 0.000 0.533 86 A N 2.264 124.999 122.820 -0.142 0.000 2.275 86 A HA 0.055 4.357 4.320 -0.030 0.000 0.212 86 A C 0.139 177.689 177.584 -0.056 0.000 1.201 86 A CA -0.150 51.842 52.037 -0.075 0.000 0.843 86 A CB 0.458 19.468 19.000 0.018 0.000 0.873 86 A HN 0.941 8.999 8.150 0.026 0.107 0.492 87 H N -4.557 114.575 119.070 0.105 0.000 2.692 87 H HA -0.334 4.263 4.556 0.068 0.000 0.316 87 H C -1.998 173.373 175.328 0.072 0.000 1.176 87 H CA 0.876 56.966 56.048 0.070 0.000 1.142 87 H CB -2.635 27.152 29.762 0.041 0.000 1.475 87 H HN -0.027 8.201 8.280 -0.453 -0.220 0.423 88 S N -4.512 111.287 115.700 0.166 0.000 2.596 88 S HA 0.868 5.518 4.470 0.117 -0.109 0.270 88 S C -2.376 172.343 174.600 0.198 0.000 1.155 88 S CA -0.733 57.574 58.200 0.178 0.000 0.827 88 S CB 4.057 67.362 63.200 0.175 0.000 1.130 88 S HN -0.481 7.920 8.310 0.152 0.000 0.467 89 A N -1.793 121.096 122.820 0.116 0.000 2.549 89 A HA 0.759 5.031 4.320 -0.317 -0.143 0.297 89 A C -2.355 175.186 177.584 -0.073 0.000 1.061 89 A CA -0.263 51.722 52.037 -0.086 0.000 0.690 89 A CB 3.802 22.740 19.000 -0.104 0.000 1.287 89 A HN 0.661 8.870 8.150 0.099 0.000 0.402 90 T N 3.263 117.678 114.554 -0.231 0.000 2.863 90 T HA 1.100 5.516 4.350 -0.272 -0.229 0.285 90 T C -0.721 173.705 174.700 -0.456 0.000 1.009 90 T CA -1.241 60.632 62.100 -0.379 0.000 0.989 90 T CB 2.686 71.153 68.868 -0.668 0.000 1.004 90 T HN 0.820 8.804 8.240 -0.427 0.000 0.455 91 T N 1.602 115.888 114.554 -0.447 0.000 2.841 91 T HA 0.808 5.237 4.350 -0.195 -0.196 0.283 91 T C -1.414 173.037 174.700 -0.415 0.000 1.000 91 T CA -1.959 59.964 62.100 -0.295 0.000 0.977 91 T CB 2.670 71.444 68.868 -0.157 0.000 0.979 91 T HN 0.479 8.480 8.240 -0.398 0.000 0.446 92 W N 4.213 125.139 121.300 -0.624 0.000 2.587 92 W HA 0.434 5.073 4.660 -0.278 -0.146 0.324 92 W C -1.544 174.656 176.519 -0.532 0.000 1.040 92 W CA -1.327 55.620 57.345 -0.663 0.000 1.222 92 W CB 3.681 32.292 29.460 -1.415 0.000 1.381 92 W HN 0.791 8.787 8.180 -0.306 0.000 0.483 93 S N 2.049 117.707 115.700 -0.069 0.000 2.561 93 S HA 0.767 5.365 4.470 -0.019 -0.139 0.303 93 S C -1.098 173.525 174.600 0.038 0.000 1.110 93 S CA -1.345 56.842 58.200 -0.021 0.000 1.034 93 S CB 1.608 64.798 63.200 -0.017 0.000 1.010 93 S HN 0.674 8.975 8.310 -0.016 0.000 0.482 94 G N 3.548 112.394 108.800 0.076 0.000 2.500 94 G HA2 0.572 4.585 3.960 0.089 0.000 0.299 94 G HA3 0.572 4.804 3.960 0.141 -0.188 0.299 94 G C -3.431 171.546 174.900 0.130 0.000 1.242 94 G CA 0.886 46.052 45.100 0.110 0.000 0.859 94 G HN 0.245 8.587 8.290 0.086 0.000 0.481 95 Q N -3.594 116.289 119.800 0.138 0.000 2.416 95 Q HA 0.908 5.532 4.340 0.175 -0.179 0.281 95 Q C -2.370 173.723 176.000 0.156 0.000 1.067 95 Q CA -2.175 53.716 55.803 0.147 0.000 0.809 95 Q CB 4.450 33.249 28.738 0.103 0.000 1.418 95 Q HN 0.151 8.503 8.270 0.137 0.000 0.411 96 Y N 3.194 123.536 120.300 0.069 0.000 2.320 96 Y HA 0.589 5.321 4.550 0.031 -0.163 0.334 96 Y C -2.338 173.615 175.900 0.087 0.000 1.055 96 Y CA -1.445 56.686 58.100 0.052 0.000 1.143 96 Y CB 2.280 40.752 38.460 0.020 0.000 1.193 96 Y HN 0.751 9.087 8.280 0.278 0.111 0.477 97 V N 7.881 127.389 119.914 -0.676 0.000 2.483 97 V HA 0.316 4.205 4.120 -0.386 0.000 0.297 97 V C -1.161 174.513 176.094 -0.701 0.000 1.027 97 V CA -1.167 60.837 62.300 -0.493 0.000 0.855 97 V CB 3.496 35.211 31.823 -0.180 0.000 0.995 97 V HN 0.594 8.435 8.190 -0.582 0.000 0.424 98 G N 4.330 112.785 108.800 -0.575 0.000 2.557 98 G HA2 0.590 4.423 3.960 -0.212 0.000 0.302 98 G HA3 0.590 4.525 3.960 -0.041 0.000 0.302 98 G C -0.830 174.032 174.900 -0.062 0.000 1.311 98 G CA -1.395 43.564 45.100 -0.234 0.000 1.030 98 G HN 0.249 8.295 8.290 -0.407 0.000 0.509 99 G N -2.011 106.798 108.800 0.015 0.000 2.260 99 G HA2 -0.177 3.796 3.960 0.022 0.000 0.250 99 G HA3 -0.177 3.785 3.960 0.004 0.000 0.250 99 G C -1.013 173.901 174.900 0.023 0.000 1.340 99 G CA -0.347 44.763 45.100 0.016 0.000 1.056 99 G HN -0.103 8.222 8.290 0.059 0.000 0.471 100 A N -0.356 122.474 122.820 0.017 0.000 1.929 100 A HA -0.008 4.319 4.320 0.011 0.000 0.216 100 A C 0.420 178.012 177.584 0.013 0.000 1.176 100 A CA 1.226 53.271 52.037 0.014 0.000 0.628 100 A CB 0.223 19.231 19.000 0.013 0.000 0.816 100 A HN 0.086 8.245 8.150 0.015 0.000 0.444 101 E N -0.496 119.716 120.200 0.021 0.000 2.256 101 E HA 0.110 4.473 4.350 0.022 0.000 0.243 101 E C -2.032 174.596 176.600 0.046 0.000 0.925 101 E CA -1.059 55.359 56.400 0.031 0.000 0.748 101 E CB 0.171 29.895 29.700 0.041 0.000 1.206 101 E HN -0.074 8.298 8.360 0.020 0.000 0.428 102 A N 5.117 127.971 122.820 0.057 0.000 2.363 102 A HA 0.156 4.649 4.320 0.039 -0.149 0.270 102 A C -0.868 176.893 177.584 0.295 0.000 1.121 102 A CA -0.227 51.891 52.037 0.135 0.000 0.800 102 A CB 1.587 20.736 19.000 0.249 0.000 1.052 102 A HN 0.307 8.469 8.150 0.020 0.000 0.493 103 R N -0.594 120.063 120.500 0.261 0.000 2.808 103 R HA 0.956 5.823 4.340 0.558 -0.193 0.272 103 R C -1.719 174.712 176.300 0.218 0.000 0.995 103 R CA -2.834 53.468 56.100 0.336 0.000 0.917 103 R CB 4.676 35.084 30.300 0.181 0.000 1.217 103 R HN 0.532 8.838 8.270 0.059 0.000 0.471 104 I N 0.913 121.611 120.570 0.214 0.000 2.439 104 I HA 0.479 4.926 4.170 0.115 -0.209 0.285 104 I C -1.678 174.598 176.117 0.265 0.000 1.021 104 I CA -1.126 60.252 61.300 0.129 0.000 1.091 104 I CB 2.842 40.779 38.000 -0.105 0.000 1.242 104 I HN 0.291 8.698 8.210 0.328 0.000 0.439 105 N N 9.367 128.189 118.700 0.203 0.000 2.419 105 N HA 0.519 5.395 4.740 0.227 0.000 0.277 105 N C -0.728 174.913 175.510 0.220 0.000 1.006 105 N CA -0.758 52.412 53.050 0.199 0.000 0.923 105 N CB 2.245 40.804 38.487 0.121 0.000 1.140 105 N HN 0.525 8.998 8.380 0.155 0.000 0.488 106 T N -0.345 114.377 114.554 0.281 0.000 2.887 106 T HA 0.692 5.292 4.350 0.188 -0.136 0.292 106 T C -1.115 173.726 174.700 0.235 0.000 1.087 106 T CA -2.036 60.230 62.100 0.276 0.000 1.009 106 T CB 3.297 72.425 68.868 0.434 0.000 1.203 106 T HN 0.752 9.175 8.240 0.305 0.000 0.518 107 Q N 0.285 120.171 119.800 0.143 0.000 2.347 107 Q HA 0.678 5.148 4.340 -0.040 -0.154 0.271 107 Q C -1.655 174.329 176.000 -0.026 0.000 1.064 107 Q CA -0.892 54.907 55.803 -0.006 0.000 0.800 107 Q CB 4.840 33.546 28.738 -0.053 0.000 1.304 107 Q HN 0.383 8.727 8.270 0.123 0.000 0.438 108 W N -0.174 121.016 121.300 -0.183 0.000 2.975 108 W HA 0.993 5.542 4.660 -0.434 -0.149 0.342 108 W C -2.911 173.409 176.519 -0.331 0.000 1.168 108 W CA -3.027 54.063 57.345 -0.424 0.000 1.141 108 W CB 3.501 32.444 29.460 -0.861 0.000 1.445 108 W HN 0.974 8.640 8.180 -0.669 0.112 0.560 109 L N -0.557 120.698 121.223 0.053 0.000 2.409 109 L HA 0.824 5.403 4.340 0.026 -0.223 0.272 109 L C -1.838 175.072 176.870 0.067 0.000 0.980 109 L CA -1.277 53.586 54.840 0.039 0.000 0.826 109 L CB 3.179 45.205 42.059 -0.055 0.000 1.268 109 L HN 0.420 8.598 8.230 -0.087 0.000 0.407 110 L N 5.118 126.432 121.223 0.151 0.000 2.316 110 L HA 0.688 5.175 4.340 -0.037 -0.169 0.280 110 L C -1.695 175.190 176.870 0.024 0.000 1.006 110 L CA -1.561 53.303 54.840 0.041 0.000 0.836 110 L CB 3.063 45.138 42.059 0.026 0.000 1.221 110 L HN 0.832 9.079 8.230 0.205 0.106 0.418 111 T N 9.691 124.247 114.554 0.003 0.000 2.824 111 T HA 0.712 5.290 4.350 -0.016 -0.238 0.280 111 T C -0.765 173.943 174.700 0.013 0.000 0.995 111 T CA -0.334 61.763 62.100 -0.005 0.000 1.009 111 T CB 1.672 70.531 68.868 -0.014 0.000 0.955 111 T HN 0.701 8.937 8.240 -0.006 0.000 0.452 112 S N 6.634 122.332 115.700 -0.003 0.000 2.549 112 S HA 0.406 5.034 4.470 0.051 -0.127 0.297 112 S C 0.019 174.624 174.600 0.008 0.000 1.115 112 S CA -0.548 57.660 58.200 0.015 0.000 1.059 112 S CB 3.072 66.264 63.200 -0.013 0.000 1.046 112 S HN 0.267 8.560 8.310 -0.027 0.000 0.506 113 G N 2.563 111.385 108.800 0.037 0.000 2.406 113 G HA2 -0.024 3.941 3.960 0.009 0.000 0.251 113 G HA3 -0.024 3.957 3.960 0.035 0.000 0.251 113 G C -0.621 174.268 174.900 -0.017 0.000 1.271 113 G CA 0.394 45.504 45.100 0.017 0.000 0.859 113 G HN 0.220 8.559 8.290 0.081 0.000 0.540 114 T N -1.261 113.276 114.554 -0.029 0.000 2.787 114 T HA 0.105 4.425 4.350 -0.050 0.000 0.297 114 T C -0.844 173.839 174.700 -0.029 0.000 1.221 114 T CA -1.541 60.532 62.100 -0.044 0.000 1.006 114 T CB 2.554 71.378 68.868 -0.073 0.000 1.328 114 T HN -0.447 7.781 8.240 -0.020 0.000 0.509 115 T N -2.429 112.109 114.554 -0.025 0.000 2.849 115 T HA 0.121 4.466 4.350 -0.007 0.000 0.284 115 T C 1.128 175.833 174.700 0.008 0.000 1.004 115 T CA -1.066 61.030 62.100 -0.007 0.000 1.021 115 T CB 1.035 69.903 68.868 -0.001 0.000 1.013 115 T HN -0.147 8.073 8.240 -0.034 0.000 0.527 116 E N 1.694 121.907 120.200 0.020 0.000 2.097 116 E HA -0.454 3.916 4.350 0.034 0.000 0.196 116 E C 2.160 178.804 176.600 0.074 0.000 1.000 116 E CA 3.147 59.570 56.400 0.038 0.000 0.804 116 E CB -0.274 29.446 29.700 0.034 0.000 0.740 116 E HN 0.498 8.868 8.360 0.016 0.000 0.454 117 A N -1.646 121.220 122.820 0.078 0.000 1.972 117 A HA -0.168 4.239 4.320 0.145 0.000 0.219 117 A C 0.917 178.634 177.584 0.222 0.000 1.169 117 A CA 2.390 54.508 52.037 0.135 0.000 0.635 117 A CB -0.665 18.396 19.000 0.101 0.000 0.810 117 A HN 0.224 8.394 8.150 0.054 0.012 0.446 118 N N -4.091 114.664 118.700 0.092 0.000 2.230 118 N HA 0.083 4.813 4.740 -0.018 0.000 0.202 118 N C 0.896 176.266 175.510 -0.233 0.000 1.119 118 N CA 0.269 53.279 53.050 -0.067 0.000 0.851 118 N CB 0.611 39.030 38.487 -0.113 0.000 0.990 118 N HN -0.615 7.673 8.380 0.048 0.120 0.497 119 A N 1.687 124.481 122.820 -0.043 0.000 1.940 119 A HA -0.179 4.091 4.320 -0.085 0.000 0.219 119 A C 1.758 179.300 177.584 -0.070 0.000 1.176 119 A CA 3.248 55.258 52.037 -0.046 0.000 0.631 119 A CB -0.552 18.468 19.000 0.035 0.000 0.814 119 A HN -0.430 7.560 8.150 0.056 0.193 0.446 120 W N -5.110 116.187 121.300 -0.005 0.000 2.341 120 W HA -0.253 4.402 4.660 -0.008 0.000 0.283 120 W C -0.201 176.313 176.519 -0.008 0.000 1.215 120 W CA 0.766 58.107 57.345 -0.007 0.000 1.211 120 W CB -1.035 28.421 29.460 -0.008 0.000 1.131 120 W HN -0.033 8.295 8.180 0.272 0.015 0.552 121 K N -1.946 117.886 120.400 -0.947 0.000 2.699 121 K HA 0.374 4.367 4.320 -0.544 0.000 0.210 121 K C 0.137 176.473 176.600 -0.440 0.000 1.076 121 K CA -0.470 55.302 56.287 -0.859 0.000 1.109 121 K CB -0.578 31.003 32.500 -1.533 0.000 0.862 121 K HN -0.584 6.811 8.250 -1.178 0.148 0.470 122 S N -0.973 114.564 115.700 -0.272 0.000 2.501 122 S HA 0.039 4.406 4.470 -0.171 0.000 0.220 122 S C -0.969 173.572 174.600 -0.098 0.000 0.997 122 S CA 1.019 59.123 58.200 -0.159 0.000 0.919 122 S CB 0.558 63.695 63.200 -0.105 0.000 0.778 122 S HN -0.115 7.989 8.310 -0.231 0.066 0.523 123 T N 4.125 118.625 114.554 -0.089 0.000 2.792 123 T HA 0.633 5.199 4.350 -0.031 -0.235 0.280 123 T C -0.639 174.036 174.700 -0.041 0.000 0.990 123 T CA 0.199 62.270 62.100 -0.049 0.000 0.960 123 T CB 2.227 71.072 68.868 -0.039 0.000 0.939 123 T HN -0.727 7.409 8.240 -0.109 0.038 0.439 124 L N 6.046 127.272 121.223 0.004 0.000 2.344 124 L HA 0.511 4.827 4.340 -0.041 0.000 0.272 124 L C -1.456 175.374 176.870 -0.067 0.000 1.035 124 L CA -0.785 54.065 54.840 0.016 0.000 0.807 124 L CB 2.677 44.831 42.059 0.159 0.000 1.237 124 L HN 0.698 8.949 8.230 0.035 0.000 0.442 125 V N 0.701 120.432 119.914 -0.306 0.000 2.876 125 V HA 0.990 4.936 4.120 -0.654 -0.218 0.312 125 V C -1.492 173.929 176.094 -1.122 0.000 1.085 125 V CA -2.550 59.380 62.300 -0.617 0.000 0.945 125 V CB 3.736 35.361 31.823 -0.330 0.000 1.017 125 V HN 0.046 8.086 8.190 -0.250 0.000 0.428 126 G N 4.793 112.521 108.800 -1.786 0.000 2.634 126 G HA2 0.282 3.703 3.960 -0.898 0.000 0.309 126 G HA3 0.282 2.995 3.960 -2.077 0.000 0.309 126 G C -3.328 170.836 174.900 -1.226 0.000 1.299 126 G CA 0.282 44.408 45.100 -1.622 0.000 0.798 126 G HN 0.056 7.314 8.290 -1.720 0.000 0.490 127 H N -3.714 115.048 119.070 -0.513 0.000 2.974 127 H HA 0.582 5.167 4.556 -0.117 -0.099 0.366 127 H C -1.756 173.697 175.328 0.208 0.000 1.155 127 H CA -1.489 54.492 56.048 -0.111 0.000 1.186 127 H CB 3.410 33.117 29.762 -0.090 0.000 1.799 127 H HN 0.060 7.759 8.280 -0.969 0.000 0.541 128 D N 0.856 121.498 120.400 0.403 0.000 2.732 128 D HA 0.285 5.132 4.640 0.159 -0.111 0.229 128 D C -1.335 175.032 176.300 0.112 0.000 1.152 128 D CA -0.236 53.900 54.000 0.226 0.000 0.854 128 D CB 4.593 45.486 40.800 0.156 0.000 1.590 128 D HN 0.059 8.694 8.370 0.442 0.000 0.468 129 T N 4.095 118.624 114.554 -0.042 0.000 2.824 129 T HA 0.664 5.289 4.350 0.177 -0.169 0.282 129 T C -1.263 173.378 174.700 -0.100 0.000 0.993 129 T CA -0.136 61.995 62.100 0.051 0.000 0.967 129 T CB 2.087 71.017 68.868 0.104 0.000 0.960 129 T HN 0.224 8.697 8.240 -0.084 -0.283 0.441 130 F N 6.109 126.172 119.950 0.188 0.000 2.480 130 F HA 0.680 5.534 4.527 0.194 -0.211 0.329 130 F C -0.039 175.930 175.800 0.281 0.000 1.091 130 F CA -1.558 56.571 58.000 0.215 0.000 0.972 130 F CB 3.439 42.553 39.000 0.189 0.000 1.150 130 F HN 0.942 9.500 8.300 0.429 0.000 0.467 131 T N 4.538 119.219 114.554 0.211 0.000 2.807 131 T HA 0.450 5.059 4.350 0.197 -0.141 0.279 131 T C -1.230 173.201 174.700 -0.448 0.000 0.993 131 T CA -0.509 61.542 62.100 -0.082 0.000 0.970 131 T CB 2.252 70.968 68.868 -0.252 0.000 0.950 131 T HN 0.857 9.091 8.240 -0.010 0.000 0.441 132 K N 6.713 126.807 120.400 -0.510 0.000 2.144 132 K HA 0.190 3.879 4.320 -1.269 -0.130 0.270 132 K C -1.394 174.903 176.600 -0.504 0.000 1.005 132 K CA 0.272 55.915 56.287 -1.073 0.000 0.932 132 K CB 1.368 32.886 32.500 -1.638 0.000 1.021 132 K HN -0.231 7.861 8.250 -0.263 0.000 0.462 133 V N 3.805 123.483 119.914 -0.393 0.000 3.134 133 V HA 0.280 4.381 4.120 -0.032 0.000 0.222 133 V C -0.665 175.325 176.094 -0.174 0.000 1.247 133 V CA -0.155 62.091 62.300 -0.090 0.000 1.281 133 V CB 2.252 34.178 31.823 0.171 0.000 1.169 133 V HN 0.725 8.578 8.190 -0.561 0.000 0.512 134 K N 0.510 120.781 120.400 -0.215 0.000 2.185 134 K HA 0.545 4.774 4.320 -0.151 0.000 0.240 134 K C -2.025 174.416 176.600 -0.266 0.000 0.983 134 K CA -3.195 52.978 56.287 -0.190 0.000 0.873 134 K CB 0.357 32.777 32.500 -0.133 0.000 1.118 134 K HN -0.547 7.565 8.250 -0.229 0.000 0.441 135 P HA 0.000 4.494 4.420 -0.209 -0.200 0.216 135 P CA 0.000 62.995 63.100 -0.175 0.000 0.800 135 P CB 0.000 31.622 31.700 -0.130 0.000 0.726