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 2rtm_1_A 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 4.144 4.320 -0.293 0.000 0.244 13 A C 0.000 177.476 177.584 -0.179 0.000 1.274 13 A CA 0.000 52.040 52.037 0.005 0.000 0.836 13 A CB 0.000 19.099 19.000 0.164 0.000 0.831 14 E N -0.361 119.646 120.200 -0.320 0.000 3.805 14 E HA -0.602 3.339 4.350 -0.682 0.000 0.265 14 E C 1.001 177.466 176.600 -0.225 0.000 1.259 14 E CA 3.484 59.687 56.400 -0.328 0.000 1.978 14 E CB -0.485 29.225 29.700 0.018 0.000 1.780 14 E HN 0.525 8.642 8.360 -0.404 0.000 0.278 15 A N -0.168 122.592 122.820 -0.100 0.000 1.883 15 A HA -0.264 4.011 4.320 -0.076 0.000 0.217 15 A C 1.760 179.293 177.584 -0.085 0.000 1.186 15 A CA 2.495 54.489 52.037 -0.071 0.000 0.624 15 A CB -0.645 18.343 19.000 -0.021 0.000 0.822 15 A HN -0.164 7.958 8.150 -0.047 0.000 0.444 16 G N -3.460 105.300 108.800 -0.068 0.000 2.471 16 G HA2 -0.180 3.807 3.960 0.045 0.000 0.219 16 G HA3 -0.180 3.875 3.960 0.158 0.000 0.219 16 G C 0.645 175.480 174.900 -0.109 0.000 1.125 16 G CA 1.053 46.157 45.100 0.007 0.000 0.775 16 G HN 0.125 8.319 8.290 -0.051 0.066 0.548 17 I N 0.714 121.069 120.570 -0.358 0.000 2.480 17 I HA -0.222 3.867 4.170 -0.136 0.000 0.251 17 I C -0.106 176.005 176.117 -0.010 0.000 1.124 17 I CA 1.869 62.988 61.300 -0.302 0.000 1.444 17 I CB 0.358 37.984 38.000 -0.623 0.000 1.098 17 I HN -0.611 7.190 8.210 -0.380 0.180 0.428 18 T N 2.089 116.563 114.554 -0.133 0.000 2.908 18 T HA -0.262 4.237 4.350 -0.114 -0.218 0.301 18 T C 0.256 174.872 174.700 -0.140 0.000 1.019 18 T CA 3.394 65.424 62.100 -0.117 0.000 1.152 18 T CB -0.009 68.787 68.868 -0.120 0.000 0.966 18 T HN -0.427 7.696 8.240 -0.195 0.000 0.540 19 G N 6.846 115.535 108.800 -0.185 0.000 2.302 19 G HA2 -0.145 3.662 3.960 -0.255 0.000 0.276 19 G HA3 -0.145 3.575 3.960 -0.400 0.000 0.276 19 G C -3.112 171.521 174.900 -0.444 0.000 1.316 19 G CA -0.198 44.710 45.100 -0.320 0.000 0.988 19 G HN 0.226 8.422 8.290 -0.156 0.000 0.479 20 T N 2.300 116.504 114.554 -0.583 0.000 2.829 20 T HA 0.627 4.771 4.350 -0.622 -0.167 0.282 20 T C -0.748 173.363 174.700 -0.981 0.000 0.990 20 T CA 0.179 61.872 62.100 -0.679 0.000 1.028 20 T CB 1.570 70.145 68.868 -0.490 0.000 0.951 20 T HN 0.077 7.999 8.240 -0.530 0.000 0.460 21 W N 4.276 124.983 121.300 -0.987 0.000 2.844 21 W HA 0.511 5.110 4.660 -0.390 -0.173 0.340 21 W C -1.670 174.451 176.519 -0.663 0.000 1.093 21 W CA -1.425 55.477 57.345 -0.739 0.000 1.212 21 W CB 4.000 32.871 29.460 -0.981 0.000 1.422 21 W HN 0.686 8.339 8.180 -0.879 0.000 0.515 22 Y N -1.414 119.102 120.300 0.361 0.000 2.499 22 Y HA 0.879 5.808 4.550 0.293 -0.203 0.347 22 Y C -0.914 175.217 175.900 0.386 0.000 0.987 22 Y CA -2.098 56.191 58.100 0.316 0.000 1.044 22 Y CB 3.350 41.892 38.460 0.136 0.000 1.245 22 Y HN 1.026 9.609 8.280 0.505 0.000 0.461 23 N N -0.331 118.597 118.700 0.380 0.000 2.531 23 N HA 0.675 5.601 4.740 0.012 -0.179 0.290 23 N C 1.734 177.305 175.510 0.101 0.000 1.257 23 N CA -2.916 50.162 53.050 0.046 0.000 0.863 23 N CB 1.927 40.226 38.487 -0.313 0.000 1.320 23 N HN -0.224 8.387 8.380 0.385 0.000 0.538 24 Q N -0.397 119.432 119.800 0.048 0.000 2.045 24 Q HA -0.318 4.065 4.340 0.072 0.000 0.206 24 Q C 1.290 177.335 176.000 0.074 0.000 0.991 24 Q CA 2.959 58.802 55.803 0.067 0.000 0.851 24 Q CB -0.302 28.472 28.738 0.062 0.000 0.911 24 Q HN 0.434 8.701 8.270 -0.006 0.000 0.418 25 L N -4.548 116.723 121.223 0.079 0.000 2.353 25 L HA -0.137 4.245 4.340 0.069 0.000 0.220 25 L C 1.000 177.928 176.870 0.096 0.000 1.133 25 L CA 0.970 55.861 54.840 0.085 0.000 0.798 25 L CB -0.019 42.099 42.059 0.097 0.000 0.922 25 L HN -0.378 7.924 8.230 0.072 -0.028 0.445 26 G N -4.649 104.224 108.800 0.121 0.000 2.184 26 G HA2 -0.330 3.714 3.960 0.141 0.000 0.206 26 G HA3 -0.330 3.691 3.960 0.102 0.000 0.206 26 G C -0.220 174.776 174.900 0.160 0.000 0.995 26 G CA -0.441 44.738 45.100 0.132 0.000 0.651 26 G HN -0.115 8.256 8.290 0.130 -0.003 0.511 27 S N 2.858 118.663 115.700 0.175 0.000 2.584 27 S HA -0.023 4.481 4.470 0.058 0.000 0.270 27 S C -0.873 173.777 174.600 0.084 0.000 1.346 27 S CA 2.071 60.334 58.200 0.106 0.000 1.018 27 S CB 1.078 64.402 63.200 0.206 0.000 0.899 27 S HN -0.057 8.674 8.310 0.187 -0.309 0.542 28 T N 2.618 117.086 114.554 -0.142 0.000 2.916 28 T HA 0.952 5.428 4.350 -0.134 -0.206 0.298 28 T C -1.610 172.936 174.700 -0.257 0.000 1.031 28 T CA -0.270 61.727 62.100 -0.172 0.000 0.993 28 T CB 3.037 71.825 68.868 -0.134 0.000 1.045 28 T HN 0.226 8.272 8.240 -0.324 0.000 0.454 29 F N 3.024 122.726 119.950 -0.414 0.000 2.601 29 F HA 1.040 5.700 4.527 -0.334 -0.334 0.309 29 F C -3.212 172.396 175.800 -0.320 0.000 1.089 29 F CA -2.524 55.236 58.000 -0.400 0.000 0.940 29 F CB 3.865 42.547 39.000 -0.530 0.000 1.273 29 F HN 0.771 8.820 8.300 -0.418 0.000 0.450 30 I N 0.717 121.177 120.570 -0.184 0.000 2.474 30 I HA 0.794 4.930 4.170 -0.387 -0.197 0.294 30 I C -1.878 174.165 176.117 -0.124 0.000 1.005 30 I CA -1.409 59.743 61.300 -0.246 0.000 1.113 30 I CB 2.708 40.603 38.000 -0.174 0.000 1.289 30 I HN 0.577 8.760 8.210 -0.046 0.000 0.436 31 V N 6.892 126.714 119.914 -0.153 0.000 3.049 31 V HA 0.749 4.993 4.120 -0.072 -0.168 0.309 31 V C -2.258 173.774 176.094 -0.103 0.000 1.148 31 V CA -2.503 59.743 62.300 -0.091 0.000 0.990 31 V CB 5.267 37.062 31.823 -0.046 0.000 1.039 31 V HN 0.687 8.750 8.190 -0.211 0.000 0.430 32 T N 9.247 123.750 114.554 -0.086 0.000 2.812 32 T HA 0.283 4.576 4.350 -0.094 0.000 0.282 32 T C -2.105 172.550 174.700 -0.074 0.000 0.990 32 T CA -0.744 61.310 62.100 -0.078 0.000 0.960 32 T CB 1.782 70.620 68.868 -0.051 0.000 0.948 32 T HN 0.675 8.871 8.240 -0.073 0.000 0.438 33 A N 7.862 130.614 122.820 -0.113 0.000 2.253 33 A HA 0.766 5.245 4.320 -0.047 -0.187 0.316 33 A C -0.722 176.886 177.584 0.040 0.000 1.327 33 A CA -1.886 50.071 52.037 -0.133 0.000 0.917 33 A CB 0.993 19.678 19.000 -0.526 0.000 1.162 33 A HN 0.067 8.140 8.150 -0.127 0.000 0.535 34 G N 1.583 110.479 108.800 0.160 0.000 2.507 34 G HA2 0.131 4.137 3.960 0.077 0.000 0.271 34 G HA3 0.131 4.151 3.960 0.100 0.000 0.271 34 G C 0.269 175.282 174.900 0.189 0.000 1.189 34 G CA -1.269 43.909 45.100 0.131 0.000 0.859 34 G HN 0.359 8.651 8.290 0.193 0.114 0.542 35 A N 1.654 124.538 122.820 0.106 0.000 1.958 35 A HA -0.244 4.355 4.320 0.113 -0.211 0.221 35 A C -0.038 177.567 177.584 0.036 0.000 1.178 35 A CA 2.496 54.582 52.037 0.082 0.000 0.642 35 A CB -0.600 18.426 19.000 0.042 0.000 0.816 35 A HN 0.587 8.781 8.150 0.072 0.000 0.453 36 D N -2.846 117.558 120.400 0.008 0.000 2.722 36 D HA 0.006 4.602 4.640 -0.073 0.000 0.239 36 D C -0.270 175.946 176.300 -0.139 0.000 1.249 36 D CA -0.416 53.549 54.000 -0.058 0.000 0.830 36 D CB -0.543 40.239 40.800 -0.031 0.000 1.025 36 D HN -0.262 8.108 8.370 0.030 0.017 0.486 37 G N -1.443 107.192 108.800 -0.275 0.000 2.157 37 G HA2 -0.442 2.685 3.960 -1.603 0.000 0.248 37 G HA3 -0.442 3.247 3.960 -0.452 0.000 0.248 37 G C -1.767 173.065 174.900 -0.113 0.000 0.979 37 G CA 0.325 45.081 45.100 -0.574 0.000 0.650 37 G HN -0.317 7.775 8.290 -0.186 0.086 0.529 38 A N -0.630 122.245 122.820 0.092 0.000 2.286 38 A HA 0.397 4.779 4.320 0.104 0.000 0.286 38 A C -1.482 176.236 177.584 0.223 0.000 1.097 38 A CA -1.235 50.883 52.037 0.136 0.000 0.821 38 A CB 2.244 21.288 19.000 0.074 0.000 1.076 38 A HN -0.744 7.420 8.150 0.088 0.039 0.490 39 L N 0.503 121.813 121.223 0.144 0.000 2.409 39 L HA 0.922 5.501 4.340 0.039 -0.216 0.272 39 L C -0.433 176.450 176.870 0.021 0.000 0.980 39 L CA -1.281 53.601 54.840 0.071 0.000 0.826 39 L CB 3.125 45.221 42.059 0.062 0.000 1.268 39 L HN -0.102 8.197 8.230 0.116 0.000 0.407 40 T N -1.200 113.345 114.554 -0.015 0.000 2.909 40 T HA 0.799 5.285 4.350 -0.018 -0.147 0.299 40 T C -0.786 173.887 174.700 -0.046 0.000 1.073 40 T CA -2.090 59.998 62.100 -0.022 0.000 0.999 40 T CB 3.401 72.266 68.868 -0.006 0.000 1.098 40 T HN 0.577 8.801 8.240 -0.027 0.000 0.477 41 G N 0.458 109.231 108.800 -0.044 0.000 2.360 41 G HA2 0.340 4.278 3.960 -0.038 0.000 0.276 41 G HA3 0.340 4.473 3.960 -0.051 -0.203 0.276 41 G C -2.826 172.062 174.900 -0.019 0.000 1.256 41 G CA 1.109 46.184 45.100 -0.041 0.000 0.890 41 G HN -0.242 8.028 8.290 -0.034 0.000 0.486 42 T N -2.493 112.062 114.554 0.002 0.000 2.896 42 T HA 0.909 5.459 4.350 0.069 -0.159 0.297 42 T C -2.557 172.210 174.700 0.111 0.000 1.108 42 T CA -2.157 59.976 62.100 0.055 0.000 1.004 42 T CB 3.716 72.608 68.868 0.040 0.000 1.159 42 T HN 0.167 8.403 8.240 -0.007 0.000 0.499 43 Y N 2.739 123.071 120.300 0.053 0.000 2.350 43 Y HA 0.608 5.371 4.550 0.113 -0.145 0.338 43 Y C -2.438 173.607 175.900 0.242 0.000 0.961 43 Y CA -2.145 56.023 58.100 0.114 0.000 1.100 43 Y CB 3.438 41.927 38.460 0.048 0.000 1.179 43 Y HN 0.784 9.239 8.280 0.291 0.000 0.454 44 E N 6.801 127.003 120.200 0.004 0.000 2.183 44 E HA 0.704 5.490 4.350 0.355 -0.222 0.271 44 E C -0.446 176.226 176.600 0.119 0.000 0.919 44 E CA -2.930 53.568 56.400 0.163 0.000 0.781 44 E CB 2.759 32.485 29.700 0.042 0.000 1.140 44 E HN 0.936 9.100 8.360 -0.326 0.000 0.402 45 S N 3.465 119.391 115.700 0.377 0.000 2.645 45 S HA 0.193 4.936 4.470 0.456 0.000 0.266 45 S C -0.589 174.120 174.600 0.181 0.000 1.258 45 S CA 0.195 58.614 58.200 0.364 0.000 0.990 45 S CB 0.557 63.999 63.200 0.404 0.000 0.967 45 S HN -0.029 8.547 8.310 0.444 0.000 0.556 46 A N 0.888 123.806 122.820 0.163 0.000 2.150 46 A HA 0.330 4.705 4.320 0.092 0.000 0.191 46 A C 0.340 177.972 177.584 0.081 0.000 1.591 46 A CA 0.814 52.916 52.037 0.107 0.000 1.142 46 A CB 1.398 20.462 19.000 0.107 0.000 1.326 46 A HN 0.572 8.845 8.150 0.205 0.000 0.470 47 V N -5.646 114.312 119.914 0.074 0.000 3.400 47 V HA 0.275 4.413 4.120 0.029 0.000 0.281 47 V C 0.068 176.149 176.094 -0.022 0.000 1.617 47 V CA 0.261 62.579 62.300 0.029 0.000 1.044 47 V CB 0.307 32.150 31.823 0.032 0.000 0.858 47 V HN -0.128 8.122 8.190 0.101 0.000 0.425 48 G N 1.445 110.202 108.800 -0.071 0.000 3.008 48 G HA2 0.053 3.940 3.960 -0.122 0.000 0.181 48 G HA3 0.053 3.854 3.960 -0.264 0.000 0.181 48 G C -1.109 173.697 174.900 -0.156 0.000 1.309 48 G CA -0.638 44.365 45.100 -0.161 0.000 1.009 48 G HN -0.293 7.968 8.290 -0.048 0.000 0.584 49 N N 1.933 120.497 118.700 -0.226 0.000 3.243 49 N HA -0.055 4.646 4.740 -0.065 0.000 0.310 49 N C -1.867 173.556 175.510 -0.145 0.000 1.313 49 N CA -0.505 52.461 53.050 -0.140 0.000 1.204 49 N CB -0.921 37.487 38.487 -0.131 0.000 1.483 49 N HN 0.127 8.324 8.380 -0.305 0.000 0.553 50 A N -1.342 121.433 122.820 -0.075 0.000 2.498 50 A HA 0.330 4.800 4.320 0.250 0.000 0.298 50 A C -2.036 175.711 177.584 0.271 0.000 1.075 50 A CA -1.200 50.909 52.037 0.121 0.000 0.714 50 A CB 3.318 22.277 19.000 -0.070 0.000 1.299 50 A HN -0.093 7.931 8.150 -0.055 0.092 0.407 51 E N 1.915 122.381 120.200 0.444 0.000 2.466 51 E HA 0.220 4.676 4.350 0.176 0.000 0.308 51 E C -1.714 174.965 176.600 0.132 0.000 0.933 51 E CA 0.420 56.954 56.400 0.223 0.000 0.800 51 E CB 1.910 31.699 29.700 0.149 0.000 1.434 51 E HN 0.394 9.219 8.360 0.774 0.000 0.389 52 S N 1.868 117.627 115.700 0.098 0.000 4.055 52 S HA -0.287 4.159 4.470 -0.039 0.000 0.634 52 S C -1.673 172.943 174.600 0.027 0.000 1.655 52 S CA 0.578 58.752 58.200 -0.043 0.000 2.183 52 S CB -0.029 63.024 63.200 -0.244 0.000 0.321 52 S HN 0.170 8.577 8.310 0.162 0.000 1.393 53 R N 2.051 122.479 120.500 -0.121 0.000 2.540 53 R HA 0.695 5.388 4.340 0.217 -0.222 0.287 53 R C -0.819 175.313 176.300 -0.281 0.000 0.980 53 R CA -0.626 55.459 56.100 -0.024 0.000 0.966 53 R CB 2.485 32.785 30.300 -0.001 0.000 1.106 53 R HN 0.065 8.234 8.270 -0.168 0.000 0.480 54 Y N -1.346 119.057 120.300 0.171 0.000 2.545 54 Y HA 0.205 4.802 4.550 0.078 0.000 0.348 54 Y C -0.821 175.095 175.900 0.027 0.000 1.002 54 Y CA -1.304 56.845 58.100 0.081 0.000 1.039 54 Y CB 3.295 41.757 38.460 0.002 0.000 1.271 54 Y HN 0.530 9.053 8.280 0.405 0.000 0.467 55 V N 1.632 121.621 119.914 0.125 0.000 2.686 55 V HA -0.008 4.259 4.120 0.044 -0.121 0.295 55 V C -0.651 175.453 176.094 0.016 0.000 1.055 55 V CA 1.531 63.860 62.300 0.049 0.000 1.050 55 V CB 0.337 32.175 31.823 0.026 0.000 0.984 55 V HN 0.778 9.049 8.190 0.134 0.000 0.482 56 L N 2.506 123.728 121.223 -0.002 0.000 2.388 56 L HA 1.126 5.659 4.340 0.000 -0.193 0.264 56 L C -1.577 175.289 176.870 -0.008 0.000 0.998 56 L CA -1.683 53.147 54.840 -0.017 0.000 0.817 56 L CB 4.396 46.387 42.059 -0.113 0.000 1.338 56 L HN 0.192 8.420 8.230 -0.004 0.000 0.414 57 T N 1.266 115.845 114.554 0.043 0.000 2.923 57 T HA 0.677 5.214 4.350 0.027 -0.171 0.311 57 T C -1.472 173.301 174.700 0.120 0.000 1.183 57 T CA -1.353 60.778 62.100 0.052 0.000 1.020 57 T CB 2.231 71.119 68.868 0.034 0.000 1.165 57 T HN -0.105 8.188 8.240 0.088 0.000 0.482 58 G N 2.691 111.565 108.800 0.123 0.000 2.561 58 G HA2 0.653 4.705 3.960 0.153 0.000 0.310 58 G HA3 0.653 4.926 3.960 0.271 -0.151 0.310 58 G C -2.968 172.024 174.900 0.153 0.000 1.292 58 G CA 0.689 45.895 45.100 0.178 0.000 0.811 58 G HN 0.284 8.628 8.290 0.091 0.000 0.482 59 R N -3.822 116.785 120.500 0.178 0.000 2.764 59 R HA 1.140 5.778 4.340 0.176 -0.192 0.270 59 R C -1.799 174.645 176.300 0.239 0.000 1.014 59 R CA -2.259 53.936 56.100 0.159 0.000 0.904 59 R CB 5.027 35.364 30.300 0.063 0.000 1.236 59 R HN 0.270 8.661 8.270 0.201 0.000 0.466 60 Y N -3.310 117.020 120.300 0.050 0.000 2.655 60 Y HA 0.633 5.359 4.550 0.071 -0.133 0.336 60 Y C -2.093 173.833 175.900 0.043 0.000 1.154 60 Y CA -2.493 55.639 58.100 0.054 0.000 1.055 60 Y CB 2.494 40.976 38.460 0.037 0.000 1.295 60 Y HN 0.336 8.595 8.280 -0.034 0.000 0.465 61 D N 0.599 121.019 120.400 0.032 0.000 2.336 61 D HA 0.114 4.669 4.640 -0.142 0.000 0.249 61 D C 0.422 176.650 176.300 -0.119 0.000 1.213 61 D CA -1.277 52.685 54.000 -0.063 0.000 0.870 61 D CB 0.289 41.126 40.800 0.063 0.000 1.076 61 D HN -0.185 8.331 8.370 0.244 0.000 0.483 62 S N 3.712 119.191 115.700 -0.368 0.000 2.561 62 S HA -0.188 4.260 4.470 -0.036 0.000 0.225 62 S C -0.603 174.000 174.600 0.006 0.000 0.977 62 S CA 1.352 59.415 58.200 -0.229 0.000 0.926 62 S CB 0.163 63.156 63.200 -0.345 0.000 0.769 62 S HN 0.114 8.191 8.310 -0.387 0.000 0.533 63 A N 2.005 124.826 122.820 0.003 0.000 3.159 63 A HA 0.413 4.765 4.320 0.054 0.000 0.330 63 A C -3.154 174.462 177.584 0.053 0.000 1.032 63 A CA -2.933 49.124 52.037 0.034 0.000 0.841 63 A CB 0.179 19.185 19.000 0.010 0.000 1.093 63 A HN -0.542 7.686 8.150 -0.030 -0.096 0.478 64 P HA 0.037 4.712 4.420 0.087 -0.203 0.275 64 P C -1.362 175.983 177.300 0.075 0.000 1.270 64 P CA -0.477 62.682 63.100 0.099 0.000 0.791 64 P CB 1.315 33.104 31.700 0.149 0.000 1.089 65 A N -2.003 120.859 122.820 0.069 0.000 2.287 65 A HA -0.071 4.277 4.320 0.047 0.000 0.273 65 A C 0.295 177.912 177.584 0.055 0.000 1.091 65 A CA -0.230 51.839 52.037 0.053 0.000 0.817 65 A CB 1.148 20.175 19.000 0.045 0.000 1.069 65 A HN 0.040 8.235 8.150 0.075 0.000 0.492 66 T N -3.652 110.929 114.554 0.045 0.000 3.256 66 T HA 0.131 4.511 4.350 0.050 0.000 0.237 66 T C -1.195 173.526 174.700 0.036 0.000 0.908 66 T CA -0.893 61.232 62.100 0.043 0.000 0.966 66 T CB -0.583 68.308 68.868 0.037 0.000 1.134 66 T HN -0.092 8.255 8.240 0.039 -0.084 0.573 67 D N -0.093 120.330 120.400 0.037 0.000 2.714 67 D HA 0.158 4.684 4.640 0.027 0.131 0.278 67 D C 0.135 176.454 176.300 0.031 0.000 1.102 67 D CA -1.740 52.278 54.000 0.030 0.000 1.108 67 D CB 1.761 42.577 40.800 0.027 0.000 1.444 67 D HN -0.757 7.898 8.370 0.043 -0.258 0.568 68 G N -2.163 106.652 108.800 0.025 0.000 3.471 68 G HA2 0.009 3.982 3.960 0.022 0.000 0.254 68 G HA3 0.009 3.979 3.960 0.017 0.000 0.254 68 G C -0.529 174.384 174.900 0.022 0.000 1.199 68 G CA -0.179 44.934 45.100 0.021 0.000 1.683 68 G HN -0.047 8.256 8.290 0.022 0.000 0.625 69 S N 0.625 116.344 115.700 0.031 0.000 2.690 69 S HA 0.045 4.532 4.470 0.029 0.000 0.291 69 S C -0.285 174.341 174.600 0.043 0.000 1.138 69 S CA 0.023 58.245 58.200 0.036 0.000 1.013 69 S CB 2.715 65.941 63.200 0.043 0.000 1.053 69 S HN -0.475 7.854 8.310 0.038 0.003 0.539 70 G N -0.479 108.350 108.800 0.048 0.000 2.528 70 G HA2 0.224 4.304 3.960 0.029 0.000 0.289 70 G HA3 0.224 4.386 3.960 0.057 -0.168 0.289 70 G C -1.110 173.863 174.900 0.123 0.000 1.192 70 G CA -0.711 44.427 45.100 0.062 0.000 0.921 70 G HN -0.141 8.240 8.290 0.045 -0.064 0.512 71 T N 3.739 118.412 114.554 0.198 0.000 2.756 71 T HA 0.108 4.574 4.350 0.193 0.000 0.290 71 T C -0.908 173.926 174.700 0.223 0.000 0.985 71 T CA 0.223 62.468 62.100 0.242 0.000 0.955 71 T CB 0.986 70.067 68.868 0.354 0.000 0.930 71 T HN 0.238 8.552 8.240 0.219 0.058 0.451 72 A N 8.520 131.444 122.820 0.174 0.000 2.425 72 A HA 0.614 5.218 4.320 0.149 -0.195 0.249 72 A C -1.407 176.290 177.584 0.189 0.000 1.084 72 A CA -0.513 51.616 52.037 0.153 0.000 0.781 72 A CB 1.029 20.093 19.000 0.107 0.000 1.019 72 A HN 0.753 8.994 8.150 0.151 0.000 0.490 73 L N -4.469 116.866 121.223 0.188 0.000 2.892 73 L HA 0.977 5.554 4.340 0.216 -0.108 0.269 73 L C -1.746 175.239 176.870 0.192 0.000 1.058 73 L CA -1.326 53.650 54.840 0.226 0.000 0.923 73 L CB 3.677 45.907 42.059 0.284 0.000 1.518 73 L HN 0.486 8.815 8.230 0.165 0.000 0.402 74 G N -3.949 104.987 108.800 0.227 0.000 2.632 74 G HA2 0.726 4.842 3.960 -0.009 0.000 0.292 74 G HA3 0.726 4.721 3.960 0.058 0.000 0.292 74 G C -3.473 171.588 174.900 0.268 0.000 1.465 74 G CA 0.785 45.961 45.100 0.125 0.000 0.824 74 G HN -0.038 8.416 8.290 0.273 0.000 0.509 75 W N -3.199 118.140 121.300 0.064 0.000 3.066 75 W HA 0.794 5.577 4.660 0.004 -0.121 0.330 75 W C -3.063 173.515 176.519 0.099 0.000 1.253 75 W CA -1.657 55.696 57.345 0.013 0.000 1.187 75 W CB 2.168 31.547 29.460 -0.136 0.000 1.434 75 W HN 0.258 8.282 8.180 -0.261 0.000 0.572 76 T N 1.306 116.002 114.554 0.236 0.000 2.893 76 T HA 0.927 5.528 4.350 0.076 -0.205 0.291 76 T C -1.499 173.253 174.700 0.087 0.000 1.028 76 T CA -0.672 61.494 62.100 0.109 0.000 0.995 76 T CB 3.119 71.994 68.868 0.011 0.000 1.051 76 T HN 0.588 8.990 8.240 0.270 0.000 0.470 77 V N 3.437 123.292 119.914 -0.098 0.000 2.623 77 V HA 0.331 4.428 4.120 -0.280 -0.145 0.304 77 V C -2.320 173.339 176.094 -0.726 0.000 1.054 77 V CA -1.152 60.885 62.300 -0.439 0.000 0.882 77 V CB 3.778 35.119 31.823 -0.803 0.000 1.002 77 V HN 0.494 8.608 8.190 -0.126 0.000 0.424 78 A N 5.148 127.650 122.820 -0.530 0.000 2.292 78 A HA 0.543 4.757 4.320 -0.370 -0.116 0.319 78 A C -0.054 177.261 177.584 -0.448 0.000 1.206 78 A CA -1.674 50.138 52.037 -0.375 0.000 0.835 78 A CB 1.663 20.575 19.000 -0.147 0.000 1.164 78 A HN 0.697 8.633 8.150 -0.357 0.000 0.505 79 W N 5.681 126.904 121.300 -0.129 0.000 1.395 79 W HA 0.023 4.329 4.660 -0.590 0.000 0.451 79 W C -1.748 174.813 176.519 0.071 0.000 0.619 79 W CA -0.857 56.346 57.345 -0.237 0.000 2.212 79 W CB -0.756 28.523 29.460 -0.302 0.000 1.537 79 W HN 1.034 9.042 8.180 -0.109 0.107 0.275 80 K N 1.490 122.101 120.400 0.351 0.000 2.471 80 K HA 0.742 5.463 4.320 0.316 -0.211 0.252 80 K C -1.711 175.078 176.600 0.316 0.000 0.938 80 K CA -1.176 55.291 56.287 0.301 0.000 0.796 80 K CB 2.963 35.525 32.500 0.103 0.000 1.161 80 K HN -0.241 8.080 8.250 0.268 0.090 0.425 81 N N 5.255 124.089 118.700 0.222 0.000 3.506 81 N HA 0.230 4.994 4.740 0.040 0.000 0.331 81 N C -0.963 174.562 175.510 0.025 0.000 1.631 81 N CA -0.844 52.236 53.050 0.050 0.000 0.786 81 N CB 0.832 39.200 38.487 -0.197 0.000 2.023 81 N HN 0.883 9.410 8.380 0.244 0.000 0.621 82 N N -1.499 117.180 118.700 -0.036 0.000 2.461 82 N HA 0.093 4.723 4.740 -0.183 0.000 0.188 82 N C -0.428 174.761 175.510 -0.535 0.000 1.134 82 N CA 1.636 54.520 53.050 -0.276 0.000 0.878 82 N CB -0.271 37.964 38.487 -0.420 0.000 0.972 82 N HN 0.117 8.510 8.380 0.021 0.000 0.456 83 Y N -2.649 117.655 120.300 0.006 0.000 2.423 83 Y HA 0.133 4.700 4.550 0.029 0.000 0.257 83 Y C -0.999 174.945 175.900 0.072 0.000 1.087 83 Y CA 0.559 58.677 58.100 0.030 0.000 1.258 83 Y CB 2.156 40.627 38.460 0.017 0.000 1.237 83 Y HN -0.166 8.512 8.280 0.175 -0.294 0.517 84 R N -0.824 119.824 120.500 0.248 0.000 2.643 84 R HA 0.215 4.675 4.340 0.200 0.000 0.269 84 R C -2.833 173.625 176.300 0.264 0.000 1.037 84 R CA -0.522 55.731 56.100 0.255 0.000 0.894 84 R CB 3.811 34.304 30.300 0.322 0.000 1.238 84 R HN -0.038 8.662 8.270 0.230 -0.292 0.459 85 N N 3.581 122.417 118.700 0.226 0.000 2.609 85 N HA 0.370 5.378 4.740 0.192 -0.152 0.268 85 N C -0.499 175.198 175.510 0.311 0.000 1.106 85 N CA -0.129 53.035 53.050 0.189 0.000 0.823 85 N CB 1.112 39.641 38.487 0.069 0.000 1.263 85 N HN 0.463 8.971 8.380 0.214 0.000 0.533 86 A N 4.700 127.695 122.820 0.291 0.000 2.251 86 A HA 0.097 4.556 4.320 0.231 0.000 0.209 86 A C 0.016 177.811 177.584 0.351 0.000 1.187 86 A CA 0.049 52.245 52.037 0.264 0.000 0.823 86 A CB 0.250 19.320 19.000 0.116 0.000 0.846 86 A HN 0.884 9.201 8.150 0.278 0.000 0.486 87 H N -1.764 117.356 119.070 0.083 0.000 2.677 87 H HA -0.386 4.204 4.556 0.058 0.000 0.321 87 H C -1.986 173.376 175.328 0.055 0.000 1.171 87 H CA 1.004 57.086 56.048 0.056 0.000 1.139 87 H CB -3.207 26.573 29.762 0.030 0.000 1.515 87 H HN -0.403 8.148 8.280 0.170 -0.170 0.423 88 S N -5.536 110.277 115.700 0.189 0.000 2.588 88 S HA 0.747 5.386 4.470 0.115 -0.101 0.269 88 S C -2.668 172.076 174.600 0.240 0.000 1.157 88 S CA -0.933 57.376 58.200 0.182 0.000 0.824 88 S CB 4.024 67.309 63.200 0.142 0.000 1.126 88 S HN -0.368 8.058 8.310 0.194 0.000 0.464 89 A N -1.049 121.865 122.820 0.157 0.000 2.549 89 A HA 0.820 5.150 4.320 -0.195 -0.127 0.297 89 A C -2.398 175.188 177.584 0.004 0.000 1.061 89 A CA -0.474 51.554 52.037 -0.015 0.000 0.690 89 A CB 4.007 22.957 19.000 -0.082 0.000 1.287 89 A HN 0.762 8.980 8.150 0.113 0.000 0.402 90 T N 3.481 117.964 114.554 -0.118 0.000 2.863 90 T HA 0.989 5.417 4.350 -0.212 -0.205 0.285 90 T C -0.683 173.795 174.700 -0.370 0.000 1.009 90 T CA -1.307 60.624 62.100 -0.283 0.000 0.989 90 T CB 2.790 71.362 68.868 -0.493 0.000 1.004 90 T HN 0.765 8.820 8.240 -0.308 0.000 0.455 91 T N 1.096 115.415 114.554 -0.392 0.000 2.876 91 T HA 0.801 5.255 4.350 -0.156 -0.197 0.289 91 T C -1.750 172.719 174.700 -0.385 0.000 1.014 91 T CA -1.764 60.180 62.100 -0.260 0.000 0.986 91 T CB 2.547 71.330 68.868 -0.141 0.000 1.021 91 T HN 0.600 8.624 8.240 -0.361 0.000 0.458 92 W N 3.369 124.337 121.300 -0.554 0.000 2.587 92 W HA 0.488 5.173 4.660 -0.220 -0.157 0.324 92 W C -1.486 174.724 176.519 -0.515 0.000 1.040 92 W CA -1.407 55.577 57.345 -0.602 0.000 1.222 92 W CB 3.546 32.192 29.460 -1.355 0.000 1.381 92 W HN 0.701 8.711 8.180 -0.284 0.000 0.483 93 S N 2.111 117.771 115.700 -0.068 0.000 2.500 93 S HA 0.765 5.344 4.470 -0.037 -0.132 0.301 93 S C -1.080 173.545 174.600 0.042 0.000 1.092 93 S CA -1.716 56.468 58.200 -0.027 0.000 1.030 93 S CB 1.699 64.888 63.200 -0.019 0.000 1.031 93 S HN 0.720 9.024 8.310 -0.010 0.000 0.483 94 G N 3.445 112.293 108.800 0.079 0.000 2.435 94 G HA2 0.564 4.586 3.960 0.103 0.000 0.296 94 G HA3 0.564 4.795 3.960 0.164 -0.173 0.296 94 G C -3.540 171.448 174.900 0.146 0.000 1.240 94 G CA 0.850 46.026 45.100 0.125 0.000 0.872 94 G HN 0.383 8.721 8.290 0.081 0.000 0.480 95 Q N -3.422 116.475 119.800 0.162 0.000 2.416 95 Q HA 0.858 5.493 4.340 0.195 -0.178 0.281 95 Q C -2.578 173.538 176.000 0.192 0.000 1.067 95 Q CA -2.134 53.771 55.803 0.171 0.000 0.809 95 Q CB 4.532 33.343 28.738 0.123 0.000 1.418 95 Q HN 0.222 8.591 8.270 0.165 0.000 0.411 96 Y N 2.705 123.049 120.300 0.073 0.000 2.342 96 Y HA 0.747 5.486 4.550 0.016 -0.179 0.334 96 Y C -2.178 173.770 175.900 0.079 0.000 1.067 96 Y CA -1.753 56.374 58.100 0.044 0.000 1.128 96 Y CB 2.480 40.947 38.460 0.012 0.000 1.200 96 Y HN 0.786 9.130 8.280 0.305 0.119 0.464 97 V N 7.568 127.107 119.914 -0.625 0.000 2.487 97 V HA 0.311 4.191 4.120 -0.400 0.000 0.298 97 V C -0.923 174.705 176.094 -0.777 0.000 1.028 97 V CA -1.434 60.565 62.300 -0.501 0.000 0.860 97 V CB 3.768 35.487 31.823 -0.173 0.000 0.991 97 V HN 0.782 8.682 8.190 -0.483 0.000 0.427 98 G N 3.438 111.873 108.800 -0.608 0.000 2.671 98 G HA2 0.506 4.311 3.960 -0.257 0.000 0.275 98 G HA3 0.506 4.403 3.960 -0.104 0.000 0.275 98 G C -0.836 174.024 174.900 -0.067 0.000 1.368 98 G CA -1.639 43.293 45.100 -0.280 0.000 1.044 98 G HN 0.159 8.200 8.290 -0.414 0.000 0.543 99 G N -1.966 106.846 108.800 0.020 0.000 2.466 99 G HA2 -0.257 3.721 3.960 0.030 0.000 0.316 99 G HA3 -0.257 3.708 3.960 0.008 0.000 0.316 99 G C 0.463 175.382 174.900 0.031 0.000 1.270 99 G CA -0.684 44.430 45.100 0.023 0.000 0.982 99 G HN -0.071 8.261 8.290 0.069 0.000 0.506 100 A N 1.981 124.815 122.820 0.023 0.000 1.869 100 A HA -0.217 4.112 4.320 0.016 0.000 0.218 100 A C 0.520 178.120 177.584 0.027 0.000 1.203 100 A CA 2.308 54.357 52.037 0.020 0.000 0.638 100 A CB -0.042 18.967 19.000 0.016 0.000 0.831 100 A HN 0.363 8.524 8.150 0.018 0.000 0.450 101 E N -1.270 118.951 120.200 0.035 0.000 2.969 101 E HA 0.130 4.514 4.350 0.057 0.000 0.213 101 E C -2.009 174.639 176.600 0.080 0.000 1.107 101 E CA -1.767 54.667 56.400 0.055 0.000 1.007 101 E CB -1.025 28.705 29.700 0.049 0.000 1.326 101 E HN 0.037 8.414 8.360 0.028 0.000 0.432 102 A N 3.253 126.136 122.820 0.105 0.000 2.425 102 A HA 0.151 4.603 4.320 0.035 -0.111 0.242 102 A C -0.912 176.865 177.584 0.321 0.000 1.077 102 A CA 0.307 52.437 52.037 0.155 0.000 0.781 102 A CB 0.930 20.086 19.000 0.260 0.000 1.020 102 A HN 0.078 8.234 8.150 0.087 0.047 0.494 103 R N -3.677 116.989 120.500 0.276 0.000 2.728 103 R HA 0.775 5.633 4.340 0.645 -0.131 0.274 103 R C -2.312 174.076 176.300 0.148 0.000 1.030 103 R CA -1.251 55.055 56.100 0.345 0.000 0.876 103 R CB 3.220 33.663 30.300 0.238 0.000 1.259 103 R HN 0.656 8.857 8.270 0.060 0.105 0.468 104 I N -0.192 120.465 120.570 0.145 0.000 2.439 104 I HA 0.629 5.099 4.170 0.140 -0.216 0.285 104 I C -1.740 174.560 176.117 0.305 0.000 1.021 104 I CA -1.286 60.105 61.300 0.151 0.000 1.091 104 I CB 2.675 40.684 38.000 0.016 0.000 1.242 104 I HN 0.276 8.644 8.210 0.263 0.000 0.439 105 N N 9.447 128.290 118.700 0.237 0.000 2.419 105 N HA 0.495 5.379 4.740 0.240 0.000 0.277 105 N C -1.025 174.635 175.510 0.250 0.000 1.006 105 N CA 0.050 53.233 53.050 0.221 0.000 0.923 105 N CB 2.492 41.062 38.487 0.138 0.000 1.140 105 N HN 0.480 8.973 8.380 0.188 0.000 0.488 106 T N -0.138 114.598 114.554 0.305 0.000 2.864 106 T HA 0.742 5.353 4.350 0.205 -0.138 0.299 106 T C -1.592 173.264 174.700 0.260 0.000 1.166 106 T CA -2.064 60.214 62.100 0.297 0.000 1.007 106 T CB 3.367 72.509 68.868 0.457 0.000 1.219 106 T HN 0.689 9.121 8.240 0.321 0.000 0.506 107 Q N 0.030 119.923 119.800 0.155 0.000 2.394 107 Q HA 0.674 5.129 4.340 -0.016 -0.124 0.273 107 Q C -1.643 174.348 176.000 -0.016 0.000 1.089 107 Q CA -0.977 54.831 55.803 0.009 0.000 0.812 107 Q CB 4.814 33.529 28.738 -0.038 0.000 1.353 107 Q HN 0.505 8.851 8.270 0.127 0.000 0.438 108 W N -1.463 119.734 121.300 -0.172 0.000 2.962 108 W HA 0.939 5.488 4.660 -0.429 -0.146 0.341 108 W C -2.969 173.356 176.519 -0.323 0.000 1.155 108 W CA -2.908 54.186 57.345 -0.418 0.000 1.165 108 W CB 3.446 32.387 29.460 -0.864 0.000 1.435 108 W HN 1.066 8.735 8.180 -0.664 0.113 0.546 109 L N 0.084 121.331 121.223 0.040 0.000 2.376 109 L HA 0.747 5.299 4.340 0.022 -0.199 0.275 109 L C -1.803 175.107 176.870 0.067 0.000 0.987 109 L CA -1.286 53.574 54.840 0.033 0.000 0.828 109 L CB 2.772 44.800 42.059 -0.051 0.000 1.249 109 L HN 0.518 8.694 8.230 -0.090 0.000 0.409 110 L N 5.762 127.080 121.223 0.158 0.000 2.319 110 L HA 0.701 5.185 4.340 -0.030 -0.162 0.281 110 L C -1.834 175.051 176.870 0.025 0.000 1.005 110 L CA -1.656 53.209 54.840 0.042 0.000 0.828 110 L CB 3.047 45.111 42.059 0.010 0.000 1.227 110 L HN 0.755 9.119 8.230 0.224 0.000 0.415 111 T N 9.774 124.331 114.554 0.006 0.000 2.824 111 T HA 0.634 5.188 4.350 -0.014 -0.213 0.280 111 T C -0.785 173.921 174.700 0.010 0.000 0.995 111 T CA -0.381 61.716 62.100 -0.004 0.000 1.009 111 T CB 1.762 70.625 68.868 -0.010 0.000 0.955 111 T HN 0.801 9.043 8.240 0.004 0.000 0.452 112 S N 5.846 121.541 115.700 -0.007 0.000 2.578 112 S HA 0.446 5.072 4.470 0.041 -0.131 0.301 112 S C -0.303 174.301 174.600 0.007 0.000 1.091 112 S CA -0.668 57.536 58.200 0.007 0.000 1.032 112 S CB 2.817 66.001 63.200 -0.026 0.000 1.064 112 S HN 0.103 8.396 8.310 -0.028 0.000 0.508 113 G N 1.409 110.231 108.800 0.038 0.000 2.364 113 G HA2 0.004 3.975 3.960 0.018 0.000 0.267 113 G HA3 0.004 4.000 3.960 0.060 0.000 0.267 113 G C -1.158 173.745 174.900 0.005 0.000 1.233 113 G CA 0.388 45.507 45.100 0.032 0.000 0.885 113 G HN 0.120 8.455 8.290 0.075 0.000 0.490 114 T N 1.231 115.779 114.554 -0.011 0.000 2.858 114 T HA 0.265 4.595 4.350 -0.033 0.000 0.285 114 T C -0.510 174.184 174.700 -0.009 0.000 1.052 114 T CA -1.731 60.353 62.100 -0.028 0.000 1.009 114 T CB 2.468 71.300 68.868 -0.061 0.000 1.241 114 T HN -0.134 8.103 8.240 -0.006 0.000 0.542 115 T N -2.972 111.576 114.554 -0.009 0.000 2.788 115 T HA 0.137 4.493 4.350 0.010 0.000 0.280 115 T C 1.099 175.808 174.700 0.016 0.000 0.984 115 T CA -1.041 61.063 62.100 0.007 0.000 0.972 115 T CB 1.070 69.943 68.868 0.008 0.000 1.039 115 T HN -0.127 8.101 8.240 -0.020 0.000 0.530 116 E N 0.162 120.378 120.200 0.026 0.000 2.204 116 E HA -0.393 3.979 4.350 0.037 0.000 0.195 116 E C 2.314 178.955 176.600 0.068 0.000 0.990 116 E CA 2.861 59.285 56.400 0.040 0.000 0.821 116 E CB -0.559 29.163 29.700 0.036 0.000 0.750 116 E HN 0.433 8.807 8.360 0.024 0.000 0.477 117 A N -0.391 122.471 122.820 0.071 0.000 1.930 117 A HA -0.125 4.275 4.320 0.134 0.000 0.217 117 A C 0.611 178.308 177.584 0.188 0.000 1.175 117 A CA 2.355 54.465 52.037 0.121 0.000 0.627 117 A CB -0.602 18.455 19.000 0.095 0.000 0.815 117 A HN 0.037 8.189 8.150 0.051 0.029 0.443 118 N N -3.607 115.133 118.700 0.067 0.000 2.268 118 N HA 0.124 4.803 4.740 -0.102 0.000 0.204 118 N C 0.613 176.017 175.510 -0.178 0.000 1.124 118 N CA -0.083 52.918 53.050 -0.082 0.000 0.838 118 N CB 0.224 38.644 38.487 -0.112 0.000 0.994 118 N HN -0.562 7.840 8.380 0.037 0.000 0.489 119 A N 1.024 123.831 122.820 -0.021 0.000 2.019 119 A HA -0.064 4.219 4.320 -0.062 0.000 0.219 119 A C 1.759 179.330 177.584 -0.022 0.000 1.164 119 A CA 2.618 54.642 52.037 -0.021 0.000 0.644 119 A CB -0.374 18.653 19.000 0.045 0.000 0.805 119 A HN -0.597 7.504 8.150 0.065 0.088 0.449 120 W N -4.854 116.442 121.300 -0.006 0.000 2.421 120 W HA -0.200 4.454 4.660 -0.009 0.000 0.270 120 W C -0.348 176.166 176.519 -0.009 0.000 1.233 120 W CA 0.772 58.112 57.345 -0.008 0.000 1.226 120 W CB -0.832 28.623 29.460 -0.008 0.000 1.121 120 W HN -0.224 8.081 8.180 0.248 0.024 0.579 121 K N -1.537 118.340 120.400 -0.870 0.000 2.699 121 K HA 0.385 4.353 4.320 -0.586 0.000 0.210 121 K C -0.112 176.244 176.600 -0.406 0.000 1.076 121 K CA -0.413 55.369 56.287 -0.842 0.000 1.109 121 K CB -0.485 31.150 32.500 -1.443 0.000 0.862 121 K HN -0.783 6.730 8.250 -0.980 0.150 0.470 122 S N -0.253 115.300 115.700 -0.246 0.000 2.478 122 S HA -0.023 4.352 4.470 -0.160 0.000 0.222 122 S C -0.569 173.977 174.600 -0.091 0.000 1.008 122 S CA 1.609 59.722 58.200 -0.146 0.000 0.928 122 S CB 0.788 63.931 63.200 -0.094 0.000 0.781 122 S HN -0.294 7.826 8.310 -0.207 0.066 0.518 123 T N 4.849 119.356 114.554 -0.078 0.000 2.770 123 T HA 0.540 5.104 4.350 -0.025 -0.229 0.283 123 T C -0.312 174.366 174.700 -0.036 0.000 0.988 123 T CA 0.386 62.462 62.100 -0.041 0.000 0.957 123 T CB 1.681 70.531 68.868 -0.031 0.000 0.930 123 T HN -0.719 7.467 8.240 -0.091 0.000 0.443 124 L N 5.232 126.459 121.223 0.006 0.000 2.344 124 L HA 0.447 4.763 4.340 -0.041 0.000 0.272 124 L C -1.251 175.578 176.870 -0.068 0.000 1.035 124 L CA -0.831 54.017 54.840 0.013 0.000 0.807 124 L CB 2.337 44.488 42.059 0.154 0.000 1.237 124 L HN 0.672 8.925 8.230 0.038 0.000 0.442 125 V N 0.692 120.429 119.914 -0.296 0.000 2.823 125 V HA 1.049 5.011 4.120 -0.617 -0.212 0.312 125 V C -1.438 173.991 176.094 -1.107 0.000 1.072 125 V CA -2.901 59.045 62.300 -0.590 0.000 0.937 125 V CB 3.380 35.011 31.823 -0.321 0.000 1.013 125 V HN -0.000 8.046 8.190 -0.239 0.000 0.430 126 G N 4.473 112.217 108.800 -1.761 0.000 2.561 126 G HA2 0.226 3.682 3.960 -0.841 0.000 0.310 126 G HA3 0.226 2.959 3.960 -2.045 0.000 0.310 126 G C -3.344 170.766 174.900 -1.317 0.000 1.292 126 G CA 0.400 44.518 45.100 -1.638 0.000 0.811 126 G HN 0.095 7.395 8.290 -1.649 0.000 0.482 127 H N -4.139 114.603 119.070 -0.547 0.000 2.980 127 H HA 0.511 5.080 4.556 -0.112 -0.080 0.367 127 H C -1.950 173.555 175.328 0.295 0.000 1.206 127 H CA -1.604 54.387 56.048 -0.096 0.000 1.126 127 H CB 3.469 33.188 29.762 -0.073 0.000 1.838 127 H HN 0.051 7.736 8.280 -0.992 0.000 0.552 128 D N -0.551 120.110 120.400 0.435 0.000 2.859 128 D HA 0.221 4.963 4.640 0.170 0.000 0.223 128 D C -1.423 174.939 176.300 0.103 0.000 1.218 128 D CA -0.197 53.952 54.000 0.249 0.000 0.850 128 D CB 4.579 45.535 40.800 0.260 0.000 1.656 128 D HN 0.255 8.895 8.370 0.451 0.000 0.484 129 T N 3.462 117.969 114.554 -0.079 0.000 2.824 129 T HA 0.625 5.253 4.350 0.161 -0.181 0.282 129 T C -1.290 173.338 174.700 -0.120 0.000 0.993 129 T CA -0.316 61.800 62.100 0.027 0.000 0.967 129 T CB 1.648 70.578 68.868 0.104 0.000 0.960 129 T HN 0.182 8.348 8.240 -0.124 0.000 0.441 130 F N 6.776 126.902 119.950 0.294 0.000 2.480 130 F HA 0.908 5.879 4.527 0.370 -0.222 0.329 130 F C -0.312 175.773 175.800 0.475 0.000 1.091 130 F CA -1.790 56.430 58.000 0.367 0.000 0.972 130 F CB 3.611 42.818 39.000 0.345 0.000 1.150 130 F HN 0.961 9.414 8.300 0.434 0.107 0.467 131 T N -2.650 112.328 114.554 0.707 0.000 2.901 131 T HA 0.606 5.363 4.350 0.678 0.000 0.293 131 T C 0.419 175.370 174.700 0.418 0.000 1.084 131 T CA -2.172 60.267 62.100 0.565 0.000 1.008 131 T CB 3.423 72.474 68.868 0.305 0.000 1.170 131 T HN 0.825 9.456 8.240 0.652 0.000 0.509 132 K N 1.138 121.565 120.400 0.045 0.000 2.365 132 K HA 0.154 4.349 4.320 -0.494 -0.171 0.197 132 K C -0.480 176.149 176.600 0.048 0.000 1.042 132 K CA 2.385 58.521 56.287 -0.252 0.000 0.987 132 K CB 0.506 32.745 32.500 -0.435 0.000 0.779 132 K HN 0.514 8.819 8.250 0.091 0.000 0.484 133 V N -1.860 118.101 119.914 0.079 0.000 2.850 133 V HA 0.155 4.229 4.120 -0.077 0.000 0.315 133 V C -1.991 174.061 176.094 -0.069 0.000 1.064 133 V CA -1.506 60.781 62.300 -0.022 0.000 0.979 133 V CB 3.173 34.985 31.823 -0.019 0.000 1.039 133 V HN -0.748 7.452 8.190 0.103 0.052 0.452 134 K N 1.626 121.826 120.400 -0.333 0.000 2.425 134 K HA 0.484 4.718 4.320 -0.144 0.000 0.259 134 K C -2.281 174.217 176.600 -0.170 0.000 0.978 134 K CA -3.193 52.873 56.287 -0.369 0.000 0.883 134 K CB 0.501 32.445 32.500 -0.927 0.000 1.110 134 K HN -0.045 7.997 8.250 -0.348 0.000 0.436 135 P HA 0.000 4.564 4.420 0.080 -0.097 0.216 135 P CA 0.000 63.119 63.100 0.032 0.000 0.800 135 P CB 0.000 31.731 31.700 0.052 0.000 0.726