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 1vwi_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 4.454 4.320 0.224 0.000 0.244 13 A C 0.000 177.674 177.584 0.150 0.000 1.274 13 A CA 0.000 52.178 52.037 0.236 0.000 0.836 13 A CB 0.000 19.077 19.000 0.129 0.000 0.831 14 E N 0.237 120.494 120.200 0.096 0.000 2.358 14 E HA -0.448 3.939 4.350 0.062 0.000 0.250 14 E C 1.552 178.074 176.600 -0.130 0.000 0.987 14 E CA 3.163 59.578 56.400 0.025 0.000 1.029 14 E CB -0.181 29.555 29.700 0.061 0.000 0.979 14 E HN 0.316 8.745 8.360 0.115 0.000 0.533 15 A N -1.818 120.944 122.820 -0.097 0.000 2.929 15 A HA 0.090 4.238 4.320 -0.286 0.000 0.279 15 A C -0.113 177.370 177.584 -0.168 0.000 1.418 15 A CA -0.234 51.700 52.037 -0.172 0.000 1.035 15 A CB -1.435 17.509 19.000 -0.093 0.000 1.047 15 A HN -0.030 8.099 8.150 -0.034 0.000 0.609 16 G N -1.637 107.047 108.800 -0.194 0.000 2.939 16 G HA2 0.090 4.026 3.960 -0.040 0.000 0.210 16 G HA3 0.090 4.158 3.960 0.089 -0.054 0.210 16 G C 0.337 175.157 174.900 -0.135 0.000 1.160 16 G CA 0.212 45.272 45.100 -0.066 0.000 0.770 16 G HN 0.205 8.215 8.290 -0.257 0.126 0.543 17 I N -0.145 120.156 120.570 -0.449 0.000 2.353 17 I HA -0.330 3.780 4.170 -0.099 0.000 0.248 17 I C -0.606 175.464 176.117 -0.077 0.000 1.119 17 I CA 2.482 63.562 61.300 -0.367 0.000 1.417 17 I CB -0.156 37.417 38.000 -0.713 0.000 1.078 17 I HN -1.021 6.794 8.210 -0.545 0.068 0.421 18 T N 0.145 114.585 114.554 -0.190 0.000 2.934 18 T HA -0.204 4.214 4.350 -0.205 -0.192 0.306 18 T C 0.308 174.901 174.700 -0.179 0.000 1.042 18 T CA 3.106 65.100 62.100 -0.177 0.000 1.145 18 T CB 0.067 68.837 68.868 -0.164 0.000 0.982 18 T HN -0.591 7.389 8.240 -0.243 0.115 0.544 19 G N 4.615 113.273 108.800 -0.237 0.000 2.340 19 G HA2 -0.176 3.613 3.960 -0.285 0.000 0.282 19 G HA3 -0.176 3.516 3.960 -0.447 0.000 0.282 19 G C -3.176 171.457 174.900 -0.446 0.000 1.312 19 G CA 0.139 45.027 45.100 -0.353 0.000 0.942 19 G HN 0.002 8.148 8.290 -0.240 0.000 0.495 20 T N 2.140 116.362 114.554 -0.553 0.000 2.779 20 T HA 0.804 5.040 4.350 -0.483 -0.176 0.280 20 T C -1.042 173.186 174.700 -0.786 0.000 0.987 20 T CA 0.614 62.376 62.100 -0.564 0.000 0.966 20 T CB 1.248 69.861 68.868 -0.425 0.000 0.933 20 T HN 0.017 7.939 8.240 -0.531 0.000 0.442 21 W N 5.448 126.388 121.300 -0.599 0.000 2.781 21 W HA 0.476 5.182 4.660 -0.171 -0.149 0.345 21 W C -1.592 174.672 176.519 -0.424 0.000 1.085 21 W CA -1.433 55.711 57.345 -0.335 0.000 1.198 21 W CB 3.270 32.664 29.460 -0.110 0.000 1.423 21 W HN 1.019 8.867 8.180 -0.375 0.107 0.532 22 Y N -2.810 117.779 120.300 0.482 0.000 2.576 22 Y HA 0.868 5.806 4.550 0.332 -0.188 0.346 22 Y C -0.861 175.296 175.900 0.428 0.000 1.018 22 Y CA -1.945 56.373 58.100 0.365 0.000 1.050 22 Y CB 3.646 42.217 38.460 0.184 0.000 1.280 22 Y HN 1.104 9.650 8.280 0.618 0.106 0.474 23 N N -0.548 118.397 118.700 0.408 0.000 2.966 23 N HA 0.590 5.496 4.740 0.031 -0.147 0.314 23 N C 1.856 177.419 175.510 0.088 0.000 1.397 23 N CA -2.583 50.493 53.050 0.044 0.000 0.776 23 N CB 2.132 40.360 38.487 -0.431 0.000 1.576 23 N HN -0.304 8.316 8.380 0.400 0.000 0.592 24 Q N -0.500 119.309 119.800 0.014 0.000 2.167 24 Q HA -0.251 4.123 4.340 0.057 0.000 0.202 24 Q C 0.194 176.224 176.000 0.050 0.000 0.970 24 Q CA 2.252 58.079 55.803 0.041 0.000 0.855 24 Q CB -0.695 28.060 28.738 0.028 0.000 0.911 24 Q HN 0.541 8.774 8.270 -0.061 0.000 0.438 25 L N -3.763 117.492 121.223 0.054 0.000 2.376 25 L HA -0.015 4.354 4.340 0.048 0.000 0.219 25 L C 0.843 177.763 176.870 0.083 0.000 1.133 25 L CA 0.317 55.196 54.840 0.064 0.000 0.816 25 L CB 0.011 42.114 42.059 0.073 0.000 0.933 25 L HN -0.524 7.826 8.230 0.038 -0.097 0.449 26 G N -4.032 104.837 108.800 0.114 0.000 2.253 26 G HA2 -0.315 3.721 3.960 0.126 0.000 0.209 26 G HA3 -0.315 3.702 3.960 0.095 0.000 0.209 26 G C -0.709 174.294 174.900 0.172 0.000 0.997 26 G CA -0.517 44.659 45.100 0.127 0.000 0.640 26 G HN -0.084 8.468 8.290 0.128 -0.185 0.496 27 S N 3.572 119.378 115.700 0.176 0.000 2.573 27 S HA -0.086 4.533 4.470 0.114 -0.080 0.277 27 S C -0.760 173.897 174.600 0.094 0.000 1.346 27 S CA 1.531 59.811 58.200 0.132 0.000 1.034 27 S CB 0.679 63.996 63.200 0.196 0.000 0.879 27 S HN -0.569 7.888 8.310 0.175 -0.042 0.528 28 T N 2.686 117.190 114.554 -0.082 0.000 2.908 28 T HA 0.880 5.344 4.350 -0.101 -0.175 0.290 28 T C -1.607 172.896 174.700 -0.329 0.000 1.034 28 T CA -0.622 61.389 62.100 -0.148 0.000 1.010 28 T CB 2.830 71.630 68.868 -0.114 0.000 1.068 28 T HN 0.557 8.717 8.240 -0.132 0.000 0.481 29 F N 5.332 124.988 119.950 -0.492 0.000 2.557 29 F HA 0.733 5.079 4.527 -0.548 -0.148 0.316 29 F C -3.141 172.452 175.800 -0.345 0.000 1.141 29 F CA -2.519 55.164 58.000 -0.528 0.000 0.922 29 F CB 3.798 42.371 39.000 -0.711 0.000 1.194 29 F HN 0.774 8.933 8.300 -0.234 0.000 0.443 30 I N 7.752 128.099 120.570 -0.372 0.000 2.410 30 I HA 0.623 4.715 4.170 -0.425 -0.177 0.286 30 I C -1.875 173.979 176.117 -0.438 0.000 1.009 30 I CA -1.268 59.802 61.300 -0.385 0.000 1.111 30 I CB 1.958 39.818 38.000 -0.233 0.000 1.262 30 I HN 0.610 8.696 8.210 -0.207 0.000 0.443 31 V N 3.255 122.863 119.914 -0.511 0.000 3.078 31 V HA 0.997 5.092 4.120 -0.327 -0.172 0.311 31 V C -1.342 174.577 176.094 -0.292 0.000 1.138 31 V CA -2.820 59.219 62.300 -0.435 0.000 1.007 31 V CB 3.692 35.131 31.823 -0.641 0.000 1.045 31 V HN 0.775 8.675 8.190 -0.483 0.000 0.432 32 T N -0.999 113.425 114.554 -0.218 0.000 2.812 32 T HA 0.311 4.563 4.350 -0.164 0.000 0.282 32 T C -1.431 173.189 174.700 -0.133 0.000 0.990 32 T CA -2.156 59.851 62.100 -0.155 0.000 0.960 32 T CB 1.483 70.288 68.868 -0.105 0.000 0.948 32 T HN 0.638 8.756 8.240 -0.203 0.000 0.438 33 A N 5.198 127.931 122.820 -0.146 0.000 2.276 33 A HA 0.847 5.351 4.320 -0.035 -0.205 0.316 33 A C -0.622 176.985 177.584 0.039 0.000 1.229 33 A CA -1.871 50.100 52.037 -0.110 0.000 0.851 33 A CB 1.686 20.429 19.000 -0.428 0.000 1.165 33 A HN -0.135 7.918 8.150 -0.161 0.000 0.513 34 G N 0.846 109.737 108.800 0.152 0.000 2.448 34 G HA2 0.154 4.147 3.960 0.055 0.000 0.285 34 G HA3 0.154 4.163 3.960 0.082 0.000 0.285 34 G C 0.157 175.154 174.900 0.161 0.000 1.176 34 G CA -1.126 44.038 45.100 0.107 0.000 0.852 34 G HN 0.451 8.749 8.290 0.213 0.120 0.530 35 A N 0.420 123.293 122.820 0.088 0.000 2.076 35 A HA -0.211 4.188 4.320 0.131 0.000 0.220 35 A C 0.454 178.049 177.584 0.019 0.000 1.160 35 A CA 2.139 54.223 52.037 0.078 0.000 0.653 35 A CB -0.345 18.678 19.000 0.038 0.000 0.801 35 A HN 0.382 8.565 8.150 0.054 0.000 0.455 36 D N -4.415 115.975 120.400 -0.017 0.000 2.427 36 D HA 0.040 4.622 4.640 -0.096 0.000 0.224 36 D C -0.082 176.107 176.300 -0.185 0.000 1.157 36 D CA -0.300 53.649 54.000 -0.086 0.000 0.828 36 D CB 0.132 40.904 40.800 -0.047 0.000 0.974 36 D HN -0.249 8.084 8.370 0.013 0.045 0.498 37 G N -1.535 107.055 108.800 -0.351 0.000 2.179 37 G HA2 -0.346 2.918 3.960 -1.365 0.000 0.220 37 G HA3 -0.346 3.386 3.960 -0.380 0.000 0.220 37 G C -2.028 172.795 174.900 -0.129 0.000 0.990 37 G CA 0.144 44.911 45.100 -0.556 0.000 0.646 37 G HN -0.567 7.492 8.290 -0.282 0.062 0.517 38 A N -0.369 122.485 122.820 0.057 0.000 2.316 38 A HA 0.367 4.870 4.320 0.100 -0.123 0.284 38 A C -1.639 176.067 177.584 0.202 0.000 1.115 38 A CA -1.017 51.093 52.037 0.121 0.000 0.812 38 A CB 2.065 21.104 19.000 0.065 0.000 1.064 38 A HN -0.562 7.612 8.150 0.040 0.000 0.489 39 L N 3.030 124.337 121.223 0.140 0.000 2.376 39 L HA 0.877 5.415 4.340 0.020 -0.186 0.275 39 L C -1.216 175.667 176.870 0.020 0.000 0.987 39 L CA -0.743 54.138 54.840 0.070 0.000 0.828 39 L CB 4.080 46.212 42.059 0.123 0.000 1.249 39 L HN -0.051 8.252 8.230 0.121 0.000 0.409 40 T N 1.238 115.771 114.554 -0.035 0.000 2.909 40 T HA 0.759 5.248 4.350 -0.011 -0.146 0.299 40 T C -0.919 173.729 174.700 -0.086 0.000 1.073 40 T CA -2.301 59.778 62.100 -0.036 0.000 0.999 40 T CB 3.245 72.100 68.868 -0.021 0.000 1.098 40 T HN 0.491 8.691 8.240 -0.067 0.000 0.477 41 G N 0.733 109.494 108.800 -0.066 0.000 2.335 41 G HA2 0.330 4.232 3.960 -0.096 0.000 0.291 41 G HA3 0.330 4.376 3.960 -0.152 -0.177 0.291 41 G C -2.808 172.075 174.900 -0.030 0.000 1.261 41 G CA 1.073 46.119 45.100 -0.091 0.000 0.871 41 G HN -0.379 7.892 8.290 -0.031 0.000 0.491 42 T N 1.382 115.921 114.554 -0.024 0.000 2.893 42 T HA 0.896 5.467 4.350 0.082 -0.172 0.291 42 T C -2.351 172.419 174.700 0.117 0.000 1.028 42 T CA -0.506 61.623 62.100 0.048 0.000 0.995 42 T CB 3.703 72.576 68.868 0.009 0.000 1.051 42 T HN 0.087 8.280 8.240 -0.079 0.000 0.470 43 Y N 5.503 125.849 120.300 0.076 0.000 2.350 43 Y HA 0.486 5.231 4.550 0.110 -0.129 0.338 43 Y C -2.624 173.418 175.900 0.236 0.000 0.961 43 Y CA -1.852 56.320 58.100 0.121 0.000 1.100 43 Y CB 3.825 42.316 38.460 0.052 0.000 1.179 43 Y HN 0.962 9.420 8.280 0.297 0.000 0.454 44 E N 6.056 126.290 120.200 0.056 0.000 2.266 44 E HA 0.940 5.794 4.350 0.381 -0.276 0.268 44 E C -1.332 175.387 176.600 0.197 0.000 0.879 44 E CA -2.624 53.897 56.400 0.202 0.000 0.762 44 E CB 3.764 33.509 29.700 0.076 0.000 1.199 44 E HN 0.814 9.001 8.360 -0.288 0.000 0.422 45 S N 1.604 117.510 115.700 0.342 0.000 2.690 45 S HA 0.151 4.798 4.470 0.294 0.000 0.285 45 S C -0.738 173.961 174.600 0.165 0.000 1.135 45 S CA -1.606 56.770 58.200 0.293 0.000 1.020 45 S CB 1.396 64.832 63.200 0.393 0.000 1.159 45 S HN 0.209 8.756 8.310 0.396 0.000 0.534 46 A N 1.220 124.117 122.820 0.127 0.000 2.630 46 A HA -0.215 4.149 4.320 0.075 0.000 0.231 46 A C 0.803 178.426 177.584 0.065 0.000 1.023 46 A CA 1.601 53.686 52.037 0.079 0.000 0.773 46 A CB -0.359 18.672 19.000 0.051 0.000 0.923 46 A HN 0.364 8.593 8.150 0.131 0.000 0.497 47 V N -1.780 118.164 119.914 0.050 0.000 0.922 47 V HA -0.547 3.591 4.120 0.029 0.000 0.044 47 V C 1.426 177.541 176.094 0.036 0.000 2.417 47 V CA 1.969 64.290 62.300 0.035 0.000 3.362 47 V CB -0.834 31.003 31.823 0.024 0.000 1.327 47 V HN 0.706 8.926 8.190 0.049 0.000 1.064 48 G N -3.738 105.092 108.800 0.049 0.000 3.400 48 G HA2 -0.459 3.535 3.960 0.057 0.000 0.209 48 G HA3 -0.459 3.522 3.960 0.036 0.000 0.209 48 G C -0.595 174.319 174.900 0.023 0.000 1.411 48 G CA -0.050 45.075 45.100 0.043 0.000 0.917 48 G HN -0.376 7.830 8.290 0.065 0.123 0.570 49 N N 0.492 119.197 118.700 0.008 0.000 1.527 49 N HA -0.388 4.340 4.740 -0.020 0.000 0.109 49 N C -0.688 174.794 175.510 -0.046 0.000 0.829 49 N CA 1.637 54.675 53.050 -0.019 0.000 0.846 49 N CB -0.646 37.832 38.487 -0.015 0.000 0.864 49 N HN -0.198 8.086 8.380 0.012 0.103 0.691 50 A N -1.259 121.505 122.820 -0.093 0.000 1.989 50 A HA 0.154 4.420 4.320 -0.091 0.000 0.201 50 A C -0.723 176.741 177.584 -0.201 0.000 1.720 50 A CA 1.001 52.960 52.037 -0.129 0.000 0.956 50 A CB 1.036 19.947 19.000 -0.148 0.000 1.094 50 A HN 0.202 8.287 8.150 -0.109 0.000 0.561 51 E N -1.106 118.904 120.200 -0.317 0.000 3.170 51 E HA 0.152 4.310 4.350 -0.321 0.000 0.212 51 E C -1.216 175.193 176.600 -0.318 0.000 1.143 51 E CA -1.108 55.035 56.400 -0.429 0.000 1.139 51 E CB -1.123 27.986 29.700 -0.986 0.000 1.346 51 E HN -0.191 8.104 8.360 -0.309 -0.121 0.432 52 S N -2.324 113.269 115.700 -0.177 0.000 2.663 52 S HA 0.195 4.693 4.470 0.046 0.000 0.243 52 S C -0.572 174.035 174.600 0.011 0.000 1.009 52 S CA -0.635 57.571 58.200 0.010 0.000 0.988 52 S CB 1.375 64.633 63.200 0.097 0.000 0.896 52 S HN -0.377 7.781 8.310 -0.141 0.068 0.502 53 R N 1.200 121.579 120.500 -0.202 0.000 2.368 53 R HA 0.523 5.146 4.340 0.135 -0.201 0.302 53 R C -1.035 175.094 176.300 -0.286 0.000 1.002 53 R CA -0.435 55.622 56.100 -0.072 0.000 0.929 53 R CB 2.210 32.472 30.300 -0.063 0.000 1.073 53 R HN -0.633 7.365 8.270 -0.283 0.102 0.464 54 Y N 0.214 120.598 120.300 0.140 0.000 2.553 54 Y HA 0.195 4.792 4.550 0.079 0.000 0.347 54 Y C -1.036 174.889 175.900 0.040 0.000 1.019 54 Y CA -1.353 56.796 58.100 0.082 0.000 1.032 54 Y CB 3.451 41.934 38.460 0.037 0.000 1.284 54 Y HN 0.516 9.006 8.280 0.350 0.000 0.466 55 V N 1.390 121.395 119.914 0.153 0.000 2.775 55 V HA 0.035 4.325 4.120 0.072 -0.127 0.299 55 V C -0.543 175.585 176.094 0.057 0.000 1.062 55 V CA 1.162 63.511 62.300 0.080 0.000 1.063 55 V CB 0.480 32.335 31.823 0.053 0.000 0.994 55 V HN 0.761 9.047 8.190 0.161 0.000 0.483 56 L N 0.670 121.923 121.223 0.050 0.000 2.388 56 L HA 1.088 5.643 4.340 0.060 -0.179 0.264 56 L C -1.434 175.471 176.870 0.059 0.000 0.998 56 L CA -1.569 53.306 54.840 0.059 0.000 0.817 56 L CB 4.250 46.330 42.059 0.036 0.000 1.338 56 L HN 0.087 8.342 8.230 0.042 0.000 0.414 57 T N 0.959 115.575 114.554 0.104 0.000 2.916 57 T HA 0.726 5.275 4.350 0.067 -0.159 0.305 57 T C -1.494 173.309 174.700 0.170 0.000 1.119 57 T CA -1.491 60.666 62.100 0.095 0.000 1.008 57 T CB 2.425 71.332 68.868 0.065 0.000 1.129 57 T HN -0.111 8.219 8.240 0.149 0.000 0.480 58 G N 2.287 111.187 108.800 0.166 0.000 2.619 58 G HA2 0.675 4.762 3.960 0.211 0.000 0.305 58 G HA3 0.675 4.946 3.960 0.327 -0.114 0.305 58 G C -2.908 172.100 174.900 0.180 0.000 1.330 58 G CA 0.560 45.796 45.100 0.226 0.000 0.789 58 G HN 0.458 8.821 8.290 0.121 0.000 0.487 59 R N -3.226 117.397 120.500 0.205 0.000 2.740 59 R HA 1.125 5.778 4.340 0.169 -0.211 0.273 59 R C -1.765 174.686 176.300 0.250 0.000 0.998 59 R CA -2.240 53.963 56.100 0.171 0.000 0.900 59 R CB 4.784 35.134 30.300 0.083 0.000 1.223 59 R HN 0.022 8.435 8.270 0.239 0.000 0.466 60 Y N -2.559 117.776 120.300 0.058 0.000 2.553 60 Y HA 0.614 5.340 4.550 0.083 -0.126 0.347 60 Y C -2.215 173.712 175.900 0.045 0.000 1.019 60 Y CA -2.566 55.570 58.100 0.060 0.000 1.032 60 Y CB 2.712 41.195 38.460 0.038 0.000 1.284 60 Y HN 0.621 8.810 8.280 0.021 0.104 0.466 61 D N 0.887 121.340 120.400 0.087 0.000 2.313 61 D HA 0.106 4.674 4.640 -0.120 0.000 0.239 61 D C -0.925 175.383 176.300 0.014 0.000 1.142 61 D CA -0.627 53.361 54.000 -0.020 0.000 0.847 61 D CB 1.307 42.137 40.800 0.050 0.000 1.082 61 D HN 0.180 8.688 8.370 0.230 0.000 0.480 62 S N 4.453 120.076 115.700 -0.127 0.000 2.416 62 S HA 0.005 4.564 4.470 0.148 0.000 0.287 62 S C -0.670 173.943 174.600 0.022 0.000 1.139 62 S CA 0.090 58.284 58.200 -0.009 0.000 1.058 62 S CB 0.112 63.244 63.200 -0.112 0.000 0.967 62 S HN 0.255 8.426 8.310 -0.231 0.000 0.495 63 A N 6.586 129.448 122.820 0.070 0.000 2.515 63 A HA 0.441 4.781 4.320 0.034 0.000 0.296 63 A C -2.743 174.879 177.584 0.062 0.000 1.094 63 A CA -2.125 49.944 52.037 0.054 0.000 0.718 63 A CB 0.733 19.766 19.000 0.055 0.000 1.307 63 A HN 0.073 8.290 8.150 0.112 0.000 0.408 64 P HA -0.018 4.434 4.420 0.053 0.000 0.271 64 P C -1.444 175.885 177.300 0.049 0.000 1.216 64 P CA -0.007 63.121 63.100 0.047 0.000 0.771 64 P CB 0.684 32.405 31.700 0.035 0.000 0.864 65 A N 4.271 127.123 122.820 0.053 0.000 3.234 65 A HA 0.222 4.568 4.320 0.044 0.000 0.247 65 A C 0.577 178.187 177.584 0.043 0.000 0.938 65 A CA -0.667 51.400 52.037 0.050 0.000 1.039 65 A CB 1.187 20.225 19.000 0.064 0.000 1.197 65 A HN 0.058 8.241 8.150 0.054 0.000 0.498 66 T N -0.198 114.378 114.554 0.036 0.000 2.684 66 T HA -0.339 4.030 4.350 0.032 0.000 0.267 66 T C 0.967 175.684 174.700 0.029 0.000 1.032 66 T CA 2.553 64.672 62.100 0.031 0.000 1.155 66 T CB -0.554 68.329 68.868 0.025 0.000 0.857 66 T HN 0.062 8.323 8.240 0.034 0.000 0.457 67 D N 0.512 120.929 120.400 0.028 0.000 2.488 67 D HA -0.138 4.515 4.640 0.022 0.000 0.260 67 D C 0.281 176.597 176.300 0.027 0.000 1.273 67 D CA -0.604 53.411 54.000 0.025 0.000 0.912 67 D CB -2.564 38.250 40.800 0.023 0.000 0.982 67 D HN -0.109 8.260 8.370 0.029 0.018 0.492 68 G N -0.153 108.665 108.800 0.030 0.000 2.395 68 G HA2 -0.435 3.545 3.960 0.033 0.000 0.292 68 G HA3 -0.435 3.539 3.960 0.024 0.000 0.292 68 G C -0.289 174.629 174.900 0.030 0.000 0.953 68 G CA 1.007 46.125 45.100 0.029 0.000 1.207 68 G HN -0.157 8.023 8.290 0.031 0.128 0.503 69 S N -0.218 115.506 115.700 0.040 0.000 2.722 69 S HA 0.245 4.737 4.470 0.036 0.000 0.292 69 S C 0.078 174.711 174.600 0.056 0.000 1.135 69 S CA -0.310 57.916 58.200 0.044 0.000 1.003 69 S CB 2.531 65.761 63.200 0.050 0.000 1.067 69 S HN -0.877 7.461 8.310 0.046 0.000 0.546 70 G N 0.178 109.014 108.800 0.059 0.000 2.522 70 G HA2 0.334 4.371 3.960 0.061 0.000 0.304 70 G HA3 0.334 4.337 3.960 0.061 -0.007 0.304 70 G C -1.023 173.957 174.900 0.133 0.000 1.210 70 G CA -0.630 44.516 45.100 0.077 0.000 0.960 70 G HN -0.010 8.312 8.290 0.054 0.000 0.497 71 T N 3.961 118.638 114.554 0.206 0.000 2.749 71 T HA 0.136 4.603 4.350 0.195 0.000 0.287 71 T C -0.760 174.072 174.700 0.220 0.000 0.970 71 T CA 0.506 62.750 62.100 0.239 0.000 0.980 71 T CB 1.101 70.167 68.868 0.330 0.000 0.924 71 T HN 0.376 8.648 8.240 0.239 0.111 0.456 72 A N 8.629 131.556 122.820 0.178 0.000 2.440 72 A HA 0.581 5.179 4.320 0.152 -0.187 0.251 72 A C -1.308 176.396 177.584 0.200 0.000 1.089 72 A CA -0.134 51.999 52.037 0.159 0.000 0.779 72 A CB 0.839 19.907 19.000 0.113 0.000 1.022 72 A HN 0.676 8.920 8.150 0.157 0.000 0.492 73 L N -3.660 117.683 121.223 0.200 0.000 2.801 73 L HA 1.021 5.619 4.340 0.237 -0.115 0.264 73 L C -1.130 175.869 176.870 0.216 0.000 1.086 73 L CA -1.029 53.959 54.840 0.246 0.000 0.920 73 L CB 2.947 45.185 42.059 0.298 0.000 1.529 73 L HN 0.332 8.667 8.230 0.175 0.000 0.399 74 G N -4.207 104.755 108.800 0.269 0.000 2.547 74 G HA2 0.671 4.801 3.960 0.050 0.000 0.291 74 G HA3 0.671 4.657 3.960 0.096 0.031 0.291 74 G C -3.229 171.871 174.900 0.334 0.000 1.471 74 G CA 0.977 46.182 45.100 0.174 0.000 0.798 74 G HN -0.261 8.224 8.290 0.325 0.000 0.504 75 W N -3.678 117.695 121.300 0.122 0.000 3.005 75 W HA 0.721 5.513 4.660 0.067 -0.092 0.343 75 W C -3.136 173.473 176.519 0.151 0.000 1.243 75 W CA -1.454 55.940 57.345 0.082 0.000 1.186 75 W CB 1.942 31.398 29.460 -0.005 0.000 1.453 75 W HN 0.503 8.575 8.180 -0.179 0.000 0.575 76 T N 0.674 115.405 114.554 0.296 0.000 2.916 76 T HA 0.978 5.611 4.350 0.114 -0.215 0.292 76 T C -1.541 173.247 174.700 0.146 0.000 1.055 76 T CA -0.817 61.375 62.100 0.153 0.000 1.009 76 T CB 3.346 72.241 68.868 0.045 0.000 1.118 76 T HN 0.563 9.007 8.240 0.340 0.000 0.497 77 V N 2.473 122.349 119.914 -0.064 0.000 2.612 77 V HA 0.304 4.439 4.120 -0.235 -0.156 0.301 77 V C -2.378 173.312 176.094 -0.674 0.000 1.059 77 V CA -0.891 61.173 62.300 -0.393 0.000 0.886 77 V CB 3.850 35.227 31.823 -0.742 0.000 1.007 77 V HN 0.335 8.454 8.190 -0.119 0.000 0.426 78 A N 5.267 127.803 122.820 -0.473 0.000 2.292 78 A HA 0.527 4.736 4.320 -0.352 -0.099 0.319 78 A C -0.022 177.312 177.584 -0.416 0.000 1.206 78 A CA -1.640 50.194 52.037 -0.338 0.000 0.835 78 A CB 1.652 20.588 19.000 -0.106 0.000 1.164 78 A HN 0.664 8.631 8.150 -0.304 0.000 0.505 79 W N 4.922 126.147 121.300 -0.125 0.000 1.564 79 W HA -0.083 4.208 4.660 -0.614 0.000 0.448 79 W C -1.402 175.131 176.519 0.023 0.000 0.601 79 W CA -1.294 55.892 57.345 -0.265 0.000 2.326 79 W CB -0.786 28.479 29.460 -0.325 0.000 1.355 79 W HN 0.728 8.833 8.180 -0.125 0.000 0.382 80 K N 0.923 121.533 120.400 0.350 0.000 2.482 80 K HA 0.733 5.470 4.320 0.325 -0.222 0.251 80 K C -1.815 174.991 176.600 0.344 0.000 0.936 80 K CA -1.181 55.295 56.287 0.314 0.000 0.791 80 K CB 3.200 35.782 32.500 0.137 0.000 1.213 80 K HN -0.338 7.986 8.250 0.274 0.091 0.428 81 N N 4.568 123.415 118.700 0.245 0.000 3.278 81 N HA 0.212 5.011 4.740 0.098 0.000 0.307 81 N C -0.333 175.238 175.510 0.102 0.000 1.551 81 N CA -1.368 51.744 53.050 0.104 0.000 0.794 81 N CB 1.460 39.861 38.487 -0.143 0.000 1.770 81 N HN 0.870 9.397 8.380 0.246 0.000 0.612 82 N N -1.230 117.525 118.700 0.091 0.000 2.567 82 N HA -0.006 4.665 4.740 -0.115 0.000 0.195 82 N C -0.697 174.570 175.510 -0.404 0.000 1.242 82 N CA 1.882 54.832 53.050 -0.167 0.000 0.884 82 N CB -1.035 37.244 38.487 -0.347 0.000 1.007 82 N HN 0.344 8.818 8.380 0.157 0.000 0.450 83 Y N -2.987 117.306 120.300 -0.013 0.000 2.476 83 Y HA 0.104 4.656 4.550 0.004 0.000 0.274 83 Y C -0.413 175.503 175.900 0.026 0.000 1.120 83 Y CA 1.013 59.112 58.100 -0.001 0.000 1.214 83 Y CB 2.183 40.631 38.460 -0.019 0.000 1.285 83 Y HN -0.176 8.441 8.280 0.269 -0.176 0.520 84 R N -2.075 118.550 120.500 0.209 0.000 2.808 84 R HA 0.360 4.775 4.340 0.125 0.000 0.272 84 R C -2.684 173.710 176.300 0.156 0.000 0.995 84 R CA -1.326 54.881 56.100 0.178 0.000 0.917 84 R CB 4.140 34.589 30.300 0.250 0.000 1.217 84 R HN 0.235 8.983 8.270 0.221 -0.346 0.471 85 N N 1.207 119.936 118.700 0.048 0.000 2.621 85 N HA 0.281 5.156 4.740 0.004 -0.132 0.271 85 N C -0.951 174.390 175.510 -0.282 0.000 1.181 85 N CA 0.114 53.100 53.050 -0.108 0.000 0.805 85 N CB 1.108 39.473 38.487 -0.203 0.000 1.351 85 N HN 0.236 8.634 8.380 0.030 0.000 0.539 86 A N 3.778 126.528 122.820 -0.117 0.000 2.337 86 A HA 0.076 4.337 4.320 -0.099 0.000 0.227 86 A C -0.375 177.176 177.584 -0.055 0.000 1.259 86 A CA -0.646 51.333 52.037 -0.096 0.000 0.870 86 A CB -0.052 18.918 19.000 -0.050 0.000 0.927 86 A HN 0.818 8.989 8.150 0.034 0.000 0.497 87 H N -3.346 115.776 119.070 0.087 0.000 2.604 87 H HA -0.331 4.265 4.556 0.066 0.000 0.321 87 H C -1.873 173.492 175.328 0.062 0.000 1.132 87 H CA 0.871 56.956 56.048 0.062 0.000 1.129 87 H CB -2.532 27.250 29.762 0.034 0.000 1.526 87 H HN -0.225 7.944 8.280 -0.483 -0.179 0.415 88 S N -5.009 110.794 115.700 0.171 0.000 2.615 88 S HA 0.763 5.396 4.470 0.121 -0.090 0.269 88 S C -2.495 172.251 174.600 0.242 0.000 1.161 88 S CA -0.587 57.719 58.200 0.177 0.000 0.817 88 S CB 3.883 67.160 63.200 0.129 0.000 1.131 88 S HN -0.437 7.971 8.310 0.164 0.000 0.467 89 A N -2.063 120.862 122.820 0.175 0.000 2.549 89 A HA 0.712 5.035 4.320 -0.203 -0.125 0.297 89 A C -2.370 175.203 177.584 -0.017 0.000 1.061 89 A CA -0.208 51.824 52.037 -0.008 0.000 0.690 89 A CB 3.778 22.738 19.000 -0.068 0.000 1.287 89 A HN 0.759 8.985 8.150 0.127 0.000 0.402 90 T N 3.246 117.694 114.554 -0.177 0.000 2.863 90 T HA 1.056 5.466 4.350 -0.264 -0.219 0.285 90 T C -0.759 173.672 174.700 -0.448 0.000 1.009 90 T CA -1.199 60.680 62.100 -0.368 0.000 0.989 90 T CB 2.523 71.001 68.868 -0.650 0.000 1.004 90 T HN 0.729 8.738 8.240 -0.385 0.000 0.455 91 T N 1.638 115.927 114.554 -0.442 0.000 2.848 91 T HA 0.777 5.244 4.350 -0.132 -0.196 0.285 91 T C -1.351 173.132 174.700 -0.362 0.000 0.995 91 T CA -1.933 60.013 62.100 -0.258 0.000 0.970 91 T CB 2.564 71.355 68.868 -0.129 0.000 0.976 91 T HN 0.656 8.650 8.240 -0.409 0.000 0.441 92 W N 5.105 126.048 121.300 -0.595 0.000 2.529 92 W HA 0.496 5.152 4.660 -0.255 -0.150 0.321 92 W C -1.269 174.946 176.519 -0.507 0.000 1.047 92 W CA -1.437 55.528 57.345 -0.634 0.000 1.216 92 W CB 3.412 32.057 29.460 -1.358 0.000 1.357 92 W HN 0.984 9.046 8.180 -0.196 0.000 0.489 93 S N 1.702 117.368 115.700 -0.057 0.000 2.532 93 S HA 0.795 5.402 4.470 -0.009 -0.142 0.299 93 S C -0.973 173.651 174.600 0.040 0.000 1.105 93 S CA -1.674 56.519 58.200 -0.013 0.000 1.018 93 S CB 1.551 64.745 63.200 -0.011 0.000 1.021 93 S HN 0.460 8.766 8.310 -0.006 0.000 0.483 94 G N 3.795 112.643 108.800 0.079 0.000 2.364 94 G HA2 0.544 4.560 3.960 0.093 0.000 0.286 94 G HA3 0.544 4.757 3.960 0.144 -0.166 0.286 94 G C -3.464 171.521 174.900 0.142 0.000 1.241 94 G CA 0.864 46.033 45.100 0.116 0.000 0.887 94 G HN 0.421 8.765 8.290 0.090 0.000 0.484 95 Q N -3.566 116.326 119.800 0.154 0.000 2.418 95 Q HA 0.854 5.485 4.340 0.192 -0.176 0.282 95 Q C -2.355 173.750 176.000 0.176 0.000 1.044 95 Q CA -2.024 53.878 55.803 0.164 0.000 0.813 95 Q CB 4.415 33.225 28.738 0.120 0.000 1.428 95 Q HN 0.240 8.602 8.270 0.153 0.000 0.402 96 Y N 3.180 123.522 120.300 0.070 0.000 2.323 96 Y HA 0.646 5.377 4.550 0.020 -0.169 0.331 96 Y C -2.278 173.668 175.900 0.076 0.000 1.092 96 Y CA -1.428 56.698 58.100 0.043 0.000 1.150 96 Y CB 2.447 40.909 38.460 0.003 0.000 1.200 96 Y HN 0.770 9.113 8.280 0.293 0.112 0.472 97 V N 6.951 126.466 119.914 -0.665 0.000 2.577 97 V HA 0.281 4.174 4.120 -0.379 0.000 0.303 97 V C -1.480 174.128 176.094 -0.809 0.000 1.042 97 V CA -1.208 60.787 62.300 -0.509 0.000 0.872 97 V CB 3.467 35.181 31.823 -0.182 0.000 0.998 97 V HN 0.497 8.311 8.190 -0.626 0.000 0.423 98 G N 4.357 112.784 108.800 -0.622 0.000 2.642 98 G HA2 0.551 4.340 3.960 -0.285 0.000 0.291 98 G HA3 0.551 4.465 3.960 -0.076 0.000 0.291 98 G C -0.803 174.051 174.900 -0.078 0.000 1.345 98 G CA -1.710 43.216 45.100 -0.291 0.000 1.043 98 G HN 0.332 8.383 8.290 -0.398 0.000 0.528 99 G N -2.658 106.150 108.800 0.013 0.000 2.316 99 G HA2 -0.225 3.751 3.960 0.027 0.000 0.349 99 G HA3 -0.225 3.738 3.960 0.005 0.000 0.349 99 G C -0.484 174.434 174.900 0.029 0.000 1.274 99 G CA -0.699 44.412 45.100 0.019 0.000 1.018 99 G HN -0.215 8.111 8.290 0.060 0.000 0.486 100 A N -0.411 122.423 122.820 0.022 0.000 1.917 100 A HA -0.137 4.194 4.320 0.019 0.000 0.219 100 A C 0.313 177.913 177.584 0.027 0.000 1.182 100 A CA 1.922 53.972 52.037 0.021 0.000 0.633 100 A CB 0.073 19.083 19.000 0.017 0.000 0.819 100 A HN 0.191 8.352 8.150 0.019 0.000 0.448 101 E N -1.948 118.272 120.200 0.033 0.000 2.267 101 E HA 0.132 4.514 4.350 0.053 0.000 0.241 101 E C -1.766 174.878 176.600 0.074 0.000 0.950 101 E CA -2.352 54.080 56.400 0.053 0.000 0.776 101 E CB -0.532 29.200 29.700 0.052 0.000 1.207 101 E HN -0.200 8.175 8.360 0.027 0.002 0.436 102 A N 4.265 127.149 122.820 0.106 0.000 2.407 102 A HA 0.227 4.724 4.320 0.019 -0.165 0.248 102 A C -0.630 177.158 177.584 0.339 0.000 1.082 102 A CA 0.186 52.324 52.037 0.169 0.000 0.785 102 A CB 1.001 20.206 19.000 0.342 0.000 1.020 102 A HN 0.205 8.407 8.150 0.087 0.000 0.489 103 R N -2.504 118.152 120.500 0.260 0.000 2.710 103 R HA 0.838 5.689 4.340 0.567 -0.171 0.270 103 R C -1.558 174.823 176.300 0.135 0.000 1.021 103 R CA -1.451 54.835 56.100 0.311 0.000 0.889 103 R CB 3.688 34.104 30.300 0.193 0.000 1.243 103 R HN 0.571 8.854 8.270 0.023 0.000 0.464 104 I N 0.504 121.160 120.570 0.143 0.000 2.439 104 I HA 0.500 4.942 4.170 0.112 -0.206 0.283 104 I C -1.636 174.643 176.117 0.270 0.000 1.023 104 I CA -1.050 60.322 61.300 0.120 0.000 1.100 104 I CB 2.265 40.231 38.000 -0.056 0.000 1.238 104 I HN 0.250 8.620 8.210 0.267 0.000 0.445 105 N N 8.967 127.795 118.700 0.213 0.000 2.425 105 N HA 0.486 5.367 4.740 0.234 0.000 0.268 105 N C -0.989 174.657 175.510 0.227 0.000 0.991 105 N CA 0.009 53.184 53.050 0.208 0.000 0.931 105 N CB 2.515 41.081 38.487 0.132 0.000 1.130 105 N HN 0.491 8.971 8.380 0.167 0.000 0.493 106 T N 0.490 115.215 114.554 0.284 0.000 2.887 106 T HA 0.780 5.396 4.350 0.187 -0.153 0.292 106 T C -1.191 173.650 174.700 0.236 0.000 1.087 106 T CA -2.514 59.751 62.100 0.275 0.000 1.009 106 T CB 3.604 72.725 68.868 0.423 0.000 1.203 106 T HN 0.740 9.167 8.240 0.310 0.000 0.518 107 Q N 0.079 119.961 119.800 0.137 0.000 2.372 107 Q HA 0.803 5.257 4.340 -0.085 -0.166 0.273 107 Q C -1.701 174.272 176.000 -0.045 0.000 1.078 107 Q CA -0.932 54.851 55.803 -0.033 0.000 0.806 107 Q CB 4.882 33.579 28.738 -0.067 0.000 1.332 107 Q HN 0.060 8.403 8.270 0.122 0.000 0.435 108 W N -1.326 119.869 121.300 -0.175 0.000 2.962 108 W HA 0.952 5.511 4.660 -0.414 -0.148 0.341 108 W C -2.938 173.386 176.519 -0.324 0.000 1.155 108 W CA -2.924 54.174 57.345 -0.411 0.000 1.165 108 W CB 3.452 32.405 29.460 -0.846 0.000 1.435 108 W HN 1.083 8.668 8.180 -0.794 0.118 0.546 109 L N -0.332 120.910 121.223 0.033 0.000 2.381 109 L HA 0.769 5.327 4.340 0.020 -0.205 0.274 109 L C -1.780 175.111 176.870 0.035 0.000 0.988 109 L CA -1.257 53.595 54.840 0.020 0.000 0.824 109 L CB 2.882 44.904 42.059 -0.061 0.000 1.263 109 L HN 0.458 8.631 8.230 -0.095 0.000 0.410 110 L N 5.745 127.039 121.223 0.117 0.000 2.316 110 L HA 0.719 5.220 4.340 -0.040 -0.184 0.280 110 L C -1.687 175.189 176.870 0.011 0.000 1.006 110 L CA -1.510 53.345 54.840 0.025 0.000 0.836 110 L CB 2.602 44.668 42.059 0.011 0.000 1.221 110 L HN 0.584 8.917 8.230 0.172 0.000 0.418 111 T N 9.458 124.011 114.554 -0.003 0.000 2.824 111 T HA 0.743 5.302 4.350 -0.024 -0.223 0.280 111 T C -0.672 174.033 174.700 0.008 0.000 0.995 111 T CA -0.814 61.280 62.100 -0.011 0.000 1.009 111 T CB 2.004 70.862 68.868 -0.016 0.000 0.955 111 T HN 0.721 8.958 8.240 -0.005 0.000 0.452 112 S N 5.049 120.743 115.700 -0.009 0.000 2.593 112 S HA 0.450 5.074 4.470 0.044 -0.128 0.297 112 S C -0.270 174.335 174.600 0.009 0.000 1.112 112 S CA -0.499 57.706 58.200 0.010 0.000 1.043 112 S CB 2.826 66.014 63.200 -0.019 0.000 1.054 112 S HN 0.311 8.602 8.310 -0.032 0.000 0.516 113 G N 2.533 111.356 108.800 0.037 0.000 2.349 113 G HA2 0.033 3.996 3.960 0.006 0.000 0.281 113 G HA3 0.033 4.006 3.960 0.022 0.000 0.281 113 G C -0.863 174.029 174.900 -0.013 0.000 1.182 113 G CA 0.149 45.257 45.100 0.014 0.000 0.899 113 G HN 0.334 8.671 8.290 0.078 0.000 0.455 114 T N 1.683 116.222 114.554 -0.025 0.000 2.773 114 T HA 0.178 4.508 4.350 -0.035 0.000 0.278 114 T C -0.938 173.748 174.700 -0.022 0.000 1.011 114 T CA -1.811 60.270 62.100 -0.033 0.000 1.014 114 T CB 2.544 71.381 68.868 -0.052 0.000 1.293 114 T HN -0.190 8.037 8.240 -0.021 0.000 0.554 115 T N -3.200 111.345 114.554 -0.014 0.000 2.944 115 T HA 0.182 4.529 4.350 -0.005 0.000 0.284 115 T C 1.146 175.856 174.700 0.017 0.000 1.010 115 T CA -1.604 60.495 62.100 -0.001 0.000 1.025 115 T CB 1.552 70.421 68.868 0.002 0.000 1.079 115 T HN -0.102 8.129 8.240 -0.015 0.000 0.516 116 E N 2.141 122.356 120.200 0.025 0.000 2.055 116 E HA -0.489 3.885 4.350 0.041 0.000 0.209 116 E C 2.542 179.191 176.600 0.081 0.000 1.036 116 E CA 3.736 60.163 56.400 0.044 0.000 0.849 116 E CB -0.982 28.741 29.700 0.038 0.000 0.767 116 E HN 0.546 8.916 8.360 0.018 0.000 0.461 117 A N -1.827 121.043 122.820 0.084 0.000 2.093 117 A HA -0.234 4.172 4.320 0.143 0.000 0.222 117 A C 0.797 178.514 177.584 0.222 0.000 1.162 117 A CA 2.516 54.634 52.037 0.135 0.000 0.655 117 A CB -0.698 18.360 19.000 0.096 0.000 0.805 117 A HN 0.344 8.530 8.150 0.059 0.000 0.461 118 N N -4.972 113.798 118.700 0.117 0.000 2.171 118 N HA 0.106 4.869 4.740 0.039 0.000 0.212 118 N C 1.173 176.612 175.510 -0.119 0.000 1.184 118 N CA 0.094 53.145 53.050 0.001 0.000 0.888 118 N CB 1.152 39.610 38.487 -0.049 0.000 1.038 118 N HN -0.307 7.938 8.380 0.071 0.177 0.517 119 A N 2.034 124.860 122.820 0.011 0.000 1.978 119 A HA -0.112 4.176 4.320 -0.053 0.000 0.220 119 A C 1.786 179.357 177.584 -0.021 0.000 1.170 119 A CA 2.961 54.992 52.037 -0.009 0.000 0.636 119 A CB -0.434 18.593 19.000 0.045 0.000 0.810 119 A HN 0.432 8.430 8.150 0.080 0.200 0.448 120 W N -4.691 116.605 121.300 -0.006 0.000 2.364 120 W HA -0.223 4.432 4.660 -0.009 0.000 0.281 120 W C -0.592 175.922 176.519 -0.008 0.000 1.219 120 W CA 0.496 57.837 57.345 -0.008 0.000 1.220 120 W CB -0.778 28.677 29.460 -0.008 0.000 1.127 120 W HN 0.042 8.406 8.180 0.332 0.016 0.556 121 K N -0.248 119.562 120.400 -0.985 0.000 3.135 121 K HA 0.381 4.357 4.320 -0.574 0.000 0.210 121 K C -0.456 175.871 176.600 -0.454 0.000 1.176 121 K CA -0.876 54.883 56.287 -0.881 0.000 1.064 121 K CB -1.103 30.490 32.500 -1.512 0.000 1.009 121 K HN -0.675 6.781 8.250 -1.114 0.126 0.472 122 S N -0.049 115.486 115.700 -0.274 0.000 2.501 122 S HA -0.017 4.352 4.470 -0.169 0.000 0.220 122 S C -0.812 173.722 174.600 -0.110 0.000 0.997 122 S CA 1.283 59.387 58.200 -0.160 0.000 0.919 122 S CB 1.146 64.288 63.200 -0.097 0.000 0.778 122 S HN -0.275 7.829 8.310 -0.232 0.066 0.523 123 T N 4.540 119.030 114.554 -0.107 0.000 2.786 123 T HA 0.559 5.110 4.350 -0.046 -0.228 0.283 123 T C -0.484 174.179 174.700 -0.061 0.000 0.992 123 T CA -0.283 61.777 62.100 -0.066 0.000 0.954 123 T CB 2.003 70.840 68.868 -0.052 0.000 0.934 123 T HN -0.701 7.415 8.240 -0.134 0.044 0.440 124 L N 6.297 127.511 121.223 -0.016 0.000 2.344 124 L HA 0.549 4.858 4.340 -0.052 0.000 0.272 124 L C -1.462 175.373 176.870 -0.059 0.000 1.035 124 L CA -0.802 54.038 54.840 0.000 0.000 0.807 124 L CB 2.510 44.645 42.059 0.127 0.000 1.237 124 L HN 0.506 8.744 8.230 0.014 0.000 0.442 125 V N 0.425 120.179 119.914 -0.267 0.000 2.876 125 V HA 1.000 4.971 4.120 -0.601 -0.211 0.312 125 V C -1.548 173.917 176.094 -1.049 0.000 1.085 125 V CA -2.596 59.362 62.300 -0.571 0.000 0.945 125 V CB 3.756 35.387 31.823 -0.321 0.000 1.017 125 V HN 0.019 8.076 8.190 -0.221 0.000 0.428 126 G N 4.690 112.420 108.800 -1.783 0.000 2.619 126 G HA2 0.298 3.794 3.960 -0.773 0.000 0.305 126 G HA3 0.298 2.942 3.960 -2.194 0.000 0.305 126 G C -3.337 170.822 174.900 -1.236 0.000 1.330 126 G CA 0.142 44.251 45.100 -1.652 0.000 0.789 126 G HN 0.153 7.405 8.290 -1.730 0.000 0.487 127 H N -3.836 114.887 119.070 -0.578 0.000 2.930 127 H HA 0.541 5.110 4.556 -0.149 -0.102 0.371 127 H C -1.831 173.622 175.328 0.208 0.000 1.169 127 H CA -1.575 54.391 56.048 -0.137 0.000 1.157 127 H CB 3.560 33.256 29.762 -0.110 0.000 1.789 127 H HN 0.075 7.873 8.280 -0.803 0.000 0.547 128 D N 1.048 121.653 120.400 0.343 0.000 2.756 128 D HA 0.375 5.059 4.640 0.074 0.000 0.226 128 D C -1.696 174.657 176.300 0.088 0.000 1.186 128 D CA -0.069 54.025 54.000 0.156 0.000 0.845 128 D CB 4.905 45.729 40.800 0.039 0.000 1.610 128 D HN 0.326 8.826 8.370 0.397 0.108 0.465 129 T N 3.925 118.455 114.554 -0.040 0.000 2.812 129 T HA 0.686 5.329 4.350 0.192 -0.178 0.282 129 T C -1.157 173.532 174.700 -0.019 0.000 0.990 129 T CA -0.128 62.019 62.100 0.079 0.000 0.960 129 T CB 1.735 70.674 68.868 0.120 0.000 0.948 129 T HN -0.061 8.358 8.240 -0.096 -0.236 0.438 130 F N 7.143 127.259 119.950 0.277 0.000 2.480 130 F HA 0.826 5.765 4.527 0.368 -0.192 0.329 130 F C -0.395 175.712 175.800 0.512 0.000 1.091 130 F CA -1.432 56.790 58.000 0.371 0.000 0.972 130 F CB 3.447 42.651 39.000 0.341 0.000 1.150 130 F HN 0.864 9.445 8.300 0.469 0.000 0.467 131 T N -3.177 111.823 114.554 0.743 0.000 2.864 131 T HA 0.581 5.381 4.350 0.749 0.000 0.289 131 T C 0.136 175.109 174.700 0.455 0.000 1.082 131 T CA -2.112 60.349 62.100 0.602 0.000 1.009 131 T CB 3.356 72.420 68.868 0.327 0.000 1.234 131 T HN 0.812 9.459 8.240 0.680 0.000 0.526 132 K N 1.282 121.729 120.400 0.078 0.000 2.410 132 K HA 0.190 4.554 4.320 -0.190 -0.158 0.200 132 K C -1.377 175.286 176.600 0.104 0.000 1.023 132 K CA 0.268 56.468 56.287 -0.146 0.000 1.149 132 K CB 0.372 32.592 32.500 -0.466 0.000 0.859 132 K HN 0.520 8.817 8.250 0.079 0.000 0.514 133 V N 0.000 120.016 119.914 0.170 0.000 2.409 133 V HA 0.000 4.120 4.120 0.000 0.000 0.244 133 V CA 0.000 62.331 62.300 0.051 0.000 1.235 133 V CB 0.000 31.844 31.823 0.035 0.000 1.184 133 V HN 0.000 8.216 8.190 0.223 0.107 0.556