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 2iza_1_A 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 4.141 4.320 -0.299 0.000 0.244 13 A C 0.000 177.467 177.584 -0.194 0.000 1.274 13 A CA 0.000 51.996 52.037 -0.069 0.000 0.836 13 A CB 0.000 19.031 19.000 0.052 0.000 0.831 14 E N -1.052 118.946 120.200 -0.337 0.000 3.848 14 E HA -0.569 3.428 4.350 -0.588 0.000 0.326 14 E C 1.084 177.548 176.600 -0.227 0.000 1.382 14 E CA 3.214 59.425 56.400 -0.314 0.000 1.859 14 E CB -0.639 29.045 29.700 -0.026 0.000 1.665 14 E HN 0.423 8.504 8.360 -0.465 0.000 0.299 15 A N 0.713 123.467 122.820 -0.111 0.000 1.883 15 A HA -0.335 3.934 4.320 -0.085 0.000 0.217 15 A C 1.147 178.672 177.584 -0.098 0.000 1.186 15 A CA 2.272 54.260 52.037 -0.082 0.000 0.624 15 A CB -0.454 18.526 19.000 -0.033 0.000 0.822 15 A HN -0.070 8.042 8.150 -0.063 0.000 0.444 16 G N -3.862 104.884 108.800 -0.090 0.000 2.470 16 G HA2 -0.187 3.794 3.960 0.036 0.000 0.220 16 G HA3 -0.187 3.841 3.960 0.114 0.000 0.220 16 G C 1.321 176.143 174.900 -0.130 0.000 1.121 16 G CA 0.718 45.804 45.100 -0.022 0.000 0.766 16 G HN -0.225 7.950 8.290 -0.075 0.070 0.553 17 I N 1.342 121.682 120.570 -0.384 0.000 2.585 17 I HA -0.191 3.889 4.170 -0.151 0.000 0.254 17 I C -0.095 176.009 176.117 -0.022 0.000 1.129 17 I CA 1.778 62.883 61.300 -0.326 0.000 1.455 17 I CB 0.544 38.163 38.000 -0.636 0.000 1.111 17 I HN -0.642 7.156 8.210 -0.401 0.171 0.433 18 T N 2.152 116.623 114.554 -0.140 0.000 2.933 18 T HA -0.362 4.112 4.350 -0.113 -0.192 0.306 18 T C 0.136 174.755 174.700 -0.135 0.000 1.045 18 T CA 3.486 65.516 62.100 -0.117 0.000 1.143 18 T CB -0.022 68.772 68.868 -0.123 0.000 1.003 18 T HN -0.475 7.643 8.240 -0.204 0.000 0.540 19 G N 6.705 115.397 108.800 -0.180 0.000 2.325 19 G HA2 -0.139 3.664 3.960 -0.263 0.000 0.285 19 G HA3 -0.139 3.572 3.960 -0.415 0.000 0.285 19 G C -3.074 171.549 174.900 -0.462 0.000 1.303 19 G CA -0.218 44.685 45.100 -0.328 0.000 0.970 19 G HN 0.437 8.638 8.290 -0.148 0.000 0.490 20 T N 2.301 116.486 114.554 -0.615 0.000 2.795 20 T HA 0.664 4.824 4.350 -0.617 -0.181 0.282 20 T C -0.497 173.573 174.700 -1.051 0.000 0.980 20 T CA 0.343 62.016 62.100 -0.711 0.000 1.012 20 T CB 1.224 69.779 68.868 -0.522 0.000 0.936 20 T HN 0.086 7.991 8.240 -0.559 0.000 0.457 21 W N 5.456 126.147 121.300 -1.015 0.000 2.761 21 W HA 0.355 4.877 4.660 -0.487 -0.155 0.340 21 W C -1.616 174.500 176.519 -0.672 0.000 1.072 21 W CA -1.414 55.454 57.345 -0.794 0.000 1.215 21 W CB 3.825 32.623 29.460 -1.103 0.000 1.420 21 W HN 0.916 8.574 8.180 -0.870 0.000 0.519 22 Y N -1.505 119.004 120.300 0.348 0.000 2.499 22 Y HA 0.790 5.686 4.550 0.272 -0.183 0.347 22 Y C -0.856 175.242 175.900 0.330 0.000 0.987 22 Y CA -1.924 56.352 58.100 0.292 0.000 1.044 22 Y CB 3.163 41.695 38.460 0.120 0.000 1.245 22 Y HN 0.960 9.499 8.280 0.431 0.000 0.461 23 N N 0.035 118.918 118.700 0.306 0.000 2.592 23 N HA 0.659 5.536 4.740 -0.068 -0.178 0.292 23 N C 1.819 177.362 175.510 0.056 0.000 1.260 23 N CA -2.885 50.133 53.050 -0.053 0.000 0.910 23 N CB 1.773 39.953 38.487 -0.511 0.000 1.257 23 N HN -0.039 8.541 8.380 0.335 0.000 0.569 24 Q N -0.660 119.150 119.800 0.016 0.000 2.181 24 Q HA -0.238 4.139 4.340 0.062 0.000 0.205 24 Q C 1.141 177.176 176.000 0.059 0.000 0.980 24 Q CA 3.162 58.996 55.803 0.051 0.000 0.862 24 Q CB -0.274 28.496 28.738 0.053 0.000 0.905 24 Q HN 0.421 8.665 8.270 -0.043 0.000 0.429 25 L N -3.883 117.379 121.223 0.065 0.000 2.627 25 L HA 0.090 4.466 4.340 0.059 0.000 0.233 25 L C 0.378 177.300 176.870 0.088 0.000 1.144 25 L CA -0.072 54.812 54.840 0.073 0.000 0.892 25 L CB -0.479 41.629 42.059 0.081 0.000 1.039 25 L HN -0.568 7.783 8.230 0.055 -0.088 0.442 26 G N -2.712 106.152 108.800 0.107 0.000 2.157 26 G HA2 -0.366 3.665 3.960 0.119 0.000 0.239 26 G HA3 -0.366 3.648 3.960 0.092 0.000 0.239 26 G C -0.275 174.720 174.900 0.159 0.000 0.982 26 G CA -0.029 45.143 45.100 0.119 0.000 0.650 26 G HN -0.375 7.963 8.290 0.109 0.017 0.527 27 S N 1.433 117.246 115.700 0.189 0.000 2.652 27 S HA 0.451 5.087 4.470 0.145 -0.079 0.270 27 S C -0.902 173.781 174.600 0.139 0.000 1.243 27 S CA 0.679 58.981 58.200 0.170 0.000 0.999 27 S CB 1.878 65.243 63.200 0.275 0.000 0.973 27 S HN -0.071 8.730 8.310 0.187 -0.378 0.544 28 T N 2.776 117.295 114.554 -0.057 0.000 2.909 28 T HA 0.966 5.457 4.350 -0.095 -0.197 0.299 28 T C -1.713 172.808 174.700 -0.299 0.000 1.073 28 T CA -0.537 61.481 62.100 -0.137 0.000 0.999 28 T CB 3.192 72.011 68.868 -0.082 0.000 1.098 28 T HN 0.488 8.638 8.240 -0.149 0.000 0.477 29 F N 2.472 122.145 119.950 -0.461 0.000 2.591 29 F HA 0.994 5.440 4.527 -0.411 -0.166 0.309 29 F C -3.290 172.312 175.800 -0.331 0.000 1.098 29 F CA -2.318 55.398 58.000 -0.473 0.000 0.937 29 F CB 3.772 42.381 39.000 -0.653 0.000 1.250 29 F HN 0.741 8.793 8.300 -0.414 0.000 0.447 30 I N 2.530 123.025 120.570 -0.125 0.000 2.406 30 I HA 0.654 4.821 4.170 -0.323 -0.191 0.290 30 I C -1.387 174.680 176.117 -0.084 0.000 0.999 30 I CA -1.262 59.923 61.300 -0.193 0.000 1.124 30 I CB 2.338 40.250 38.000 -0.145 0.000 1.289 30 I HN 0.540 8.741 8.210 -0.014 0.000 0.441 31 V N 3.758 123.603 119.914 -0.114 0.000 2.962 31 V HA 0.933 5.204 4.120 -0.061 -0.188 0.313 31 V C -1.090 174.948 176.094 -0.094 0.000 1.099 31 V CA -2.695 59.561 62.300 -0.074 0.000 0.971 31 V CB 3.308 35.094 31.823 -0.061 0.000 1.028 31 V HN 0.851 8.934 8.190 -0.178 0.000 0.430 32 T N 5.264 119.769 114.554 -0.082 0.000 2.809 32 T HA 0.266 4.561 4.350 -0.092 0.000 0.284 32 T C -1.833 172.820 174.700 -0.080 0.000 0.992 32 T CA -0.272 61.782 62.100 -0.077 0.000 0.957 32 T CB 1.802 70.640 68.868 -0.050 0.000 0.942 32 T HN 0.410 8.608 8.240 -0.071 0.000 0.439 33 A N 7.979 130.723 122.820 -0.127 0.000 2.253 33 A HA 0.786 5.236 4.320 -0.091 -0.185 0.316 33 A C -0.682 176.902 177.584 -0.000 0.000 1.327 33 A CA -2.046 49.885 52.037 -0.176 0.000 0.917 33 A CB 1.096 19.766 19.000 -0.550 0.000 1.162 33 A HN 0.546 8.614 8.150 -0.137 0.000 0.535 34 G N 1.481 110.360 108.800 0.132 0.000 2.507 34 G HA2 0.119 4.117 3.960 0.062 0.000 0.271 34 G HA3 0.119 4.136 3.960 0.095 0.000 0.271 34 G C 0.252 175.259 174.900 0.179 0.000 1.189 34 G CA -1.076 44.094 45.100 0.116 0.000 0.859 34 G HN 0.475 8.762 8.290 0.177 0.109 0.542 35 A N 2.235 125.117 122.820 0.104 0.000 1.940 35 A HA -0.243 4.359 4.320 0.121 -0.210 0.221 35 A C 0.010 177.629 177.584 0.059 0.000 1.190 35 A CA 2.366 54.458 52.037 0.092 0.000 0.647 35 A CB -0.363 18.665 19.000 0.046 0.000 0.821 35 A HN 0.471 8.662 8.150 0.068 0.000 0.457 36 D N -2.121 118.294 120.400 0.024 0.000 2.889 36 D HA -0.061 4.541 4.640 -0.064 0.000 0.243 36 D C 0.043 176.261 176.300 -0.137 0.000 1.270 36 D CA -0.113 53.858 54.000 -0.048 0.000 0.838 36 D CB -0.559 40.224 40.800 -0.029 0.000 1.040 36 D HN -0.270 8.112 8.370 0.039 0.012 0.480 37 G N -1.294 107.333 108.800 -0.287 0.000 2.159 37 G HA2 -0.454 2.523 3.960 -1.764 0.000 0.256 37 G HA3 -0.454 3.216 3.960 -0.484 0.000 0.256 37 G C -1.722 173.084 174.900 -0.155 0.000 0.977 37 G CA 0.338 45.053 45.100 -0.642 0.000 0.652 37 G HN -0.384 7.719 8.290 -0.184 0.077 0.531 38 A N -0.225 122.654 122.820 0.097 0.000 2.293 38 A HA 0.465 4.968 4.320 0.105 -0.119 0.302 38 A C -1.612 176.111 177.584 0.233 0.000 1.119 38 A CA -1.275 50.847 52.037 0.143 0.000 0.823 38 A CB 2.253 21.299 19.000 0.076 0.000 1.097 38 A HN -0.665 7.496 8.150 0.097 0.047 0.491 39 L N 1.672 122.986 121.223 0.152 0.000 2.376 39 L HA 0.915 5.484 4.340 0.037 -0.206 0.275 39 L C -0.504 176.379 176.870 0.021 0.000 0.987 39 L CA -1.377 53.506 54.840 0.072 0.000 0.828 39 L CB 2.644 44.740 42.059 0.062 0.000 1.249 39 L HN 0.026 8.330 8.230 0.123 0.000 0.409 40 T N -1.099 113.448 114.554 -0.012 0.000 2.903 40 T HA 0.818 5.311 4.350 -0.013 -0.151 0.299 40 T C -0.677 174.000 174.700 -0.039 0.000 1.093 40 T CA -2.269 59.821 62.100 -0.017 0.000 1.002 40 T CB 3.385 72.252 68.868 -0.002 0.000 1.127 40 T HN 0.308 8.534 8.240 -0.023 0.000 0.488 41 G N -0.430 108.349 108.800 -0.034 0.000 2.367 41 G HA2 0.267 4.211 3.960 -0.027 0.000 0.272 41 G HA3 0.267 4.410 3.960 -0.040 -0.206 0.272 41 G C -2.519 172.378 174.900 -0.005 0.000 1.271 41 G CA 0.989 46.071 45.100 -0.030 0.000 0.893 41 G HN -0.374 7.903 8.290 -0.023 0.000 0.485 42 T N -1.837 112.726 114.554 0.015 0.000 2.903 42 T HA 0.861 5.431 4.350 0.089 -0.166 0.299 42 T C -2.544 172.228 174.700 0.120 0.000 1.093 42 T CA -1.863 60.279 62.100 0.071 0.000 1.002 42 T CB 3.584 72.484 68.868 0.053 0.000 1.127 42 T HN 0.120 8.362 8.240 0.004 0.000 0.488 43 Y N 2.929 123.275 120.300 0.077 0.000 2.364 43 Y HA 0.433 5.200 4.550 0.128 -0.140 0.340 43 Y C -2.342 173.725 175.900 0.279 0.000 0.975 43 Y CA -1.840 56.342 58.100 0.137 0.000 1.089 43 Y CB 3.581 42.077 38.460 0.060 0.000 1.192 43 Y HN 0.894 9.359 8.280 0.308 0.000 0.454 44 E N 6.602 126.878 120.200 0.126 0.000 2.185 44 E HA 0.708 5.542 4.350 0.421 -0.231 0.261 44 E C -0.568 176.202 176.600 0.285 0.000 0.879 44 E CA -2.213 54.343 56.400 0.259 0.000 0.756 44 E CB 2.072 31.835 29.700 0.105 0.000 1.152 44 E HN 0.828 9.042 8.360 -0.243 0.000 0.416 45 S N 5.133 121.132 115.700 0.497 0.000 2.686 45 S HA 0.598 5.360 4.470 0.487 0.000 0.270 45 S C -0.221 174.514 174.600 0.225 0.000 1.194 45 S CA -0.702 57.753 58.200 0.426 0.000 0.990 45 S CB 1.038 64.471 63.200 0.389 0.000 1.029 45 S HN -0.227 8.446 8.310 0.606 0.000 0.560 46 A N -0.966 121.958 122.820 0.173 0.000 2.242 46 A HA 0.306 4.683 4.320 0.095 0.000 0.205 46 A C -0.657 176.956 177.584 0.048 0.000 1.353 46 A CA 0.018 52.117 52.037 0.103 0.000 1.005 46 A CB 2.034 21.097 19.000 0.105 0.000 1.127 46 A HN -0.042 8.231 8.150 0.205 0.000 0.498 47 V N -2.887 117.034 119.914 0.011 0.000 3.141 47 V HA 0.325 4.420 4.120 -0.041 0.000 0.312 47 V C -0.545 175.443 176.094 -0.178 0.000 1.157 47 V CA -1.735 60.528 62.300 -0.062 0.000 1.041 47 V CB 2.894 34.684 31.823 -0.057 0.000 1.071 47 V HN -0.637 7.574 8.190 0.036 0.000 0.441 48 G N 2.151 110.841 108.800 -0.184 0.000 2.627 48 G HA2 -0.362 3.459 3.960 -0.230 0.000 0.214 48 G HA3 -0.362 3.331 3.960 -0.444 0.000 0.214 48 G C -0.570 174.200 174.900 -0.217 0.000 1.331 48 G CA -0.230 44.704 45.100 -0.277 0.000 0.891 48 G HN 0.030 8.246 8.290 -0.123 0.000 0.539 49 N N 2.175 120.718 118.700 -0.262 0.000 3.331 49 N HA 0.136 4.834 4.740 -0.071 0.000 0.303 49 N C -1.714 173.721 175.510 -0.126 0.000 1.326 49 N CA -0.765 52.204 53.050 -0.135 0.000 1.207 49 N CB -0.989 37.431 38.487 -0.111 0.000 1.477 49 N HN 0.267 8.427 8.380 -0.366 0.000 0.541 50 A N -1.022 121.736 122.820 -0.105 0.000 2.423 50 A HA 0.357 4.810 4.320 0.222 0.000 0.304 50 A C -2.060 175.666 177.584 0.236 0.000 1.104 50 A CA -1.729 50.347 52.037 0.064 0.000 0.757 50 A CB 3.393 22.279 19.000 -0.190 0.000 1.313 50 A HN -0.300 7.701 8.150 -0.105 0.085 0.423 51 E N 1.106 121.573 120.200 0.445 0.000 2.593 51 E HA 0.220 4.668 4.350 0.164 0.000 0.362 51 E C -1.552 175.127 176.600 0.132 0.000 0.962 51 E CA 0.762 57.295 56.400 0.222 0.000 0.760 51 E CB 1.988 31.775 29.700 0.146 0.000 1.521 51 E HN 0.347 9.216 8.360 0.848 0.000 0.384 52 S N 2.515 118.286 115.700 0.118 0.000 4.074 52 S HA -0.207 4.257 4.470 -0.011 0.000 0.636 52 S C -1.438 173.207 174.600 0.075 0.000 1.550 52 S CA 0.625 58.815 58.200 -0.016 0.000 1.877 52 S CB -0.016 63.053 63.200 -0.219 0.000 0.327 52 S HN 0.210 8.630 8.310 0.184 0.000 1.583 53 R N 1.995 122.450 120.500 -0.075 0.000 2.349 53 R HA 0.519 5.206 4.340 0.225 -0.213 0.299 53 R C -0.748 175.428 176.300 -0.206 0.000 1.027 53 R CA -0.143 55.965 56.100 0.012 0.000 0.958 53 R CB 1.307 31.613 30.300 0.009 0.000 1.047 53 R HN 0.086 8.278 8.270 -0.129 0.000 0.468 54 Y N 0.809 121.218 120.300 0.181 0.000 2.536 54 Y HA 0.203 4.818 4.550 0.107 0.000 0.347 54 Y C -0.623 175.309 175.900 0.052 0.000 1.000 54 Y CA -1.356 56.812 58.100 0.113 0.000 1.051 54 Y CB 2.876 41.382 38.460 0.077 0.000 1.259 54 Y HN 0.556 9.123 8.280 0.479 0.000 0.468 55 V N 1.902 121.907 119.914 0.152 0.000 2.715 55 V HA -0.025 4.260 4.120 0.064 -0.127 0.299 55 V C -0.576 175.543 176.094 0.041 0.000 1.054 55 V CA 1.659 64.002 62.300 0.071 0.000 1.077 55 V CB 0.362 32.210 31.823 0.042 0.000 0.972 55 V HN 0.791 9.073 8.190 0.154 0.000 0.484 56 L N 2.104 123.339 121.223 0.020 0.000 2.370 56 L HA 1.102 5.639 4.340 0.017 -0.187 0.266 56 L C -1.464 175.410 176.870 0.006 0.000 1.002 56 L CA -1.696 53.146 54.840 0.004 0.000 0.818 56 L CB 4.222 46.235 42.059 -0.076 0.000 1.325 56 L HN 0.250 8.490 8.230 0.016 0.000 0.418 57 T N 1.306 115.890 114.554 0.051 0.000 2.956 57 T HA 0.719 5.259 4.350 0.031 -0.171 0.312 57 T C -1.410 173.360 174.700 0.117 0.000 1.151 57 T CA -1.343 60.789 62.100 0.054 0.000 1.024 57 T CB 2.306 71.196 68.868 0.036 0.000 1.140 57 T HN -0.027 8.269 8.240 0.093 0.000 0.473 58 G N 2.992 111.863 108.800 0.118 0.000 2.561 58 G HA2 0.658 4.707 3.960 0.149 0.000 0.310 58 G HA3 0.658 4.914 3.960 0.259 -0.141 0.310 58 G C -2.914 172.073 174.900 0.146 0.000 1.292 58 G CA 0.674 45.877 45.100 0.171 0.000 0.811 58 G HN 0.445 8.786 8.290 0.086 0.000 0.482 59 R N -3.496 117.107 120.500 0.171 0.000 2.774 59 R HA 1.134 5.773 4.340 0.161 -0.202 0.272 59 R C -1.736 174.702 176.300 0.229 0.000 1.000 59 R CA -2.380 53.809 56.100 0.148 0.000 0.906 59 R CB 4.961 35.291 30.300 0.050 0.000 1.227 59 R HN 0.345 8.732 8.270 0.195 0.000 0.468 60 Y N -2.559 117.767 120.300 0.043 0.000 2.553 60 Y HA 0.613 5.318 4.550 0.066 -0.116 0.347 60 Y C -1.654 174.268 175.900 0.037 0.000 1.019 60 Y CA -2.620 55.508 58.100 0.047 0.000 1.032 60 Y CB 2.788 41.263 38.460 0.026 0.000 1.284 60 Y HN 0.392 8.618 8.280 -0.090 0.000 0.466 61 D N 1.974 122.395 120.400 0.035 0.000 2.473 61 D HA 0.158 4.704 4.640 -0.157 0.000 0.226 61 D C -1.005 175.314 176.300 0.030 0.000 1.089 61 D CA -1.362 52.611 54.000 -0.046 0.000 0.883 61 D CB 0.164 40.975 40.800 0.018 0.000 1.029 61 D HN 0.124 8.604 8.370 0.185 0.000 0.517 62 S N 3.938 119.598 115.700 -0.067 0.000 2.505 62 S HA -0.046 4.544 4.470 0.201 0.000 0.276 62 S C -0.626 174.004 174.600 0.050 0.000 1.274 62 S CA 0.461 58.705 58.200 0.074 0.000 1.053 62 S CB 0.136 63.364 63.200 0.047 0.000 0.919 62 S HN 0.134 8.287 8.310 -0.262 0.000 0.490 63 A N 6.164 129.033 122.820 0.081 0.000 2.449 63 A HA 0.310 4.654 4.320 0.039 0.000 0.302 63 A C -2.436 175.186 177.584 0.063 0.000 1.048 63 A CA -2.436 49.636 52.037 0.058 0.000 0.708 63 A CB 1.155 20.189 19.000 0.056 0.000 1.274 63 A HN -0.082 8.138 8.150 0.116 0.000 0.410 64 P HA -0.062 4.388 4.420 0.051 0.000 0.260 64 P C -1.339 175.988 177.300 0.046 0.000 1.207 64 P CA 0.015 63.143 63.100 0.045 0.000 0.780 64 P CB -0.400 31.321 31.700 0.034 0.000 0.789 65 A N 4.854 127.705 122.820 0.051 0.000 2.350 65 A HA 0.349 4.694 4.320 0.042 0.000 0.324 65 A C -0.128 177.480 177.584 0.040 0.000 1.118 65 A CA -0.568 51.497 52.037 0.047 0.000 0.783 65 A CB 2.155 21.189 19.000 0.058 0.000 1.236 65 A HN 0.126 8.310 8.150 0.057 0.000 0.457 66 T N -2.085 112.489 114.554 0.033 0.000 3.231 66 T HA 0.099 4.466 4.350 0.030 0.000 0.292 66 T C -0.352 174.364 174.700 0.026 0.000 1.001 66 T CA 0.327 62.444 62.100 0.028 0.000 0.920 66 T CB 0.296 69.179 68.868 0.024 0.000 1.140 66 T HN -0.098 8.162 8.240 0.032 0.000 0.525 67 D N 0.186 120.603 120.400 0.028 0.000 2.692 67 D HA 0.010 4.663 4.640 0.021 0.000 0.290 67 D C 0.766 177.081 176.300 0.025 0.000 1.455 67 D CA -0.527 53.487 54.000 0.024 0.000 0.796 67 D CB 0.314 41.128 40.800 0.022 0.000 1.131 67 D HN -0.179 8.153 8.370 0.032 0.057 0.467 68 G N 1.326 110.142 108.800 0.028 0.000 2.305 68 G HA2 -0.310 3.667 3.960 0.028 0.000 0.287 68 G HA3 -0.310 3.662 3.960 0.020 0.000 0.287 68 G C -0.389 174.526 174.900 0.026 0.000 1.036 68 G CA 0.640 45.755 45.100 0.026 0.000 0.887 68 G HN 0.349 8.658 8.290 0.031 0.000 0.505 69 S N 0.564 116.285 115.700 0.035 0.000 2.681 69 S HA 0.037 4.525 4.470 0.030 0.000 0.270 69 S C 0.141 174.769 174.600 0.047 0.000 1.209 69 S CA -0.048 58.175 58.200 0.038 0.000 0.988 69 S CB 1.519 64.745 63.200 0.044 0.000 1.006 69 S HN -0.371 7.963 8.310 0.040 0.000 0.558 70 G N -0.548 108.283 108.800 0.051 0.000 2.502 70 G HA2 0.344 4.396 3.960 0.047 0.000 0.305 70 G HA3 0.344 4.457 3.960 0.058 -0.118 0.305 70 G C -1.370 173.605 174.900 0.125 0.000 1.190 70 G CA -0.556 44.585 45.100 0.069 0.000 0.933 70 G HN -0.131 8.266 8.290 0.048 -0.078 0.503 71 T N 4.091 118.765 114.554 0.200 0.000 2.744 71 T HA 0.122 4.583 4.350 0.185 0.000 0.291 71 T C -0.709 174.117 174.700 0.210 0.000 0.957 71 T CA 0.659 62.897 62.100 0.230 0.000 1.002 71 T CB 1.155 70.213 68.868 0.316 0.000 0.919 71 T HN 0.261 8.533 8.240 0.234 0.108 0.468 72 A N 8.561 131.481 122.820 0.167 0.000 2.388 72 A HA 0.640 5.231 4.320 0.146 -0.184 0.257 72 A C -1.442 176.252 177.584 0.184 0.000 1.095 72 A CA -0.704 51.422 52.037 0.148 0.000 0.791 72 A CB 1.008 20.070 19.000 0.103 0.000 1.029 72 A HN 0.740 8.978 8.150 0.147 0.000 0.489 73 L N -4.005 117.330 121.223 0.187 0.000 2.765 73 L HA 0.998 5.574 4.340 0.216 -0.107 0.263 73 L C -1.742 175.250 176.870 0.202 0.000 1.068 73 L CA -1.392 53.584 54.840 0.228 0.000 0.903 73 L CB 3.742 45.968 42.059 0.278 0.000 1.512 73 L HN 0.604 8.934 8.230 0.168 0.000 0.404 74 G N -3.676 105.265 108.800 0.235 0.000 2.703 74 G HA2 0.758 4.897 3.960 0.043 0.000 0.294 74 G HA3 0.758 4.760 3.960 0.071 0.000 0.294 74 G C -3.458 171.608 174.900 0.278 0.000 1.451 74 G CA 0.719 45.907 45.100 0.147 0.000 0.869 74 G HN 0.070 8.521 8.290 0.269 0.000 0.516 75 W N -2.656 118.674 121.300 0.050 0.000 3.074 75 W HA 0.813 5.583 4.660 -0.009 -0.115 0.332 75 W C -3.007 173.563 176.519 0.084 0.000 1.253 75 W CA -1.970 55.371 57.345 -0.005 0.000 1.180 75 W CB 2.320 31.681 29.460 -0.166 0.000 1.445 75 W HN 0.414 8.434 8.180 -0.266 0.000 0.573 76 T N 1.209 115.887 114.554 0.206 0.000 2.893 76 T HA 0.850 5.410 4.350 0.034 -0.190 0.291 76 T C -1.500 173.239 174.700 0.066 0.000 1.028 76 T CA -0.453 61.692 62.100 0.076 0.000 0.995 76 T CB 3.091 71.954 68.868 -0.007 0.000 1.051 76 T HN 0.627 9.018 8.240 0.252 0.000 0.470 77 V N 4.457 124.303 119.914 -0.112 0.000 2.577 77 V HA 0.358 4.472 4.120 -0.258 -0.149 0.303 77 V C -2.300 173.373 176.094 -0.702 0.000 1.042 77 V CA -1.329 60.713 62.300 -0.429 0.000 0.872 77 V CB 3.711 35.047 31.823 -0.813 0.000 0.998 77 V HN 0.681 8.777 8.190 -0.157 0.000 0.423 78 A N 5.520 128.056 122.820 -0.474 0.000 2.274 78 A HA 0.509 4.737 4.320 -0.334 -0.108 0.309 78 A C -0.103 177.266 177.584 -0.359 0.000 1.226 78 A CA -1.633 50.211 52.037 -0.322 0.000 0.853 78 A CB 1.439 20.374 19.000 -0.109 0.000 1.146 78 A HN 0.687 8.654 8.150 -0.304 0.000 0.518 79 W N 5.442 126.695 121.300 -0.078 0.000 1.395 79 W HA -0.093 4.233 4.660 -0.556 0.000 0.451 79 W C -1.455 175.163 176.519 0.166 0.000 0.619 79 W CA -1.279 55.953 57.345 -0.188 0.000 2.212 79 W CB -0.744 28.557 29.460 -0.265 0.000 1.537 79 W HN 0.721 8.847 8.180 -0.091 0.000 0.275 80 K N 1.306 121.994 120.400 0.480 0.000 2.482 80 K HA 0.773 5.556 4.320 0.391 -0.228 0.251 80 K C -1.760 175.037 176.600 0.329 0.000 0.936 80 K CA -1.200 55.309 56.287 0.370 0.000 0.791 80 K CB 3.116 35.712 32.500 0.160 0.000 1.213 80 K HN -0.251 8.168 8.250 0.414 0.079 0.428 81 N N 4.755 123.577 118.700 0.202 0.000 3.522 81 N HA 0.245 5.004 4.740 0.030 0.000 0.328 81 N C -0.130 175.397 175.510 0.028 0.000 1.623 81 N CA -0.952 52.114 53.050 0.026 0.000 0.812 81 N CB 0.641 38.983 38.487 -0.242 0.000 2.008 81 N HN 0.876 9.397 8.380 0.235 0.000 0.601 82 N N -1.513 117.179 118.700 -0.014 0.000 2.521 82 N HA 0.066 4.706 4.740 -0.167 0.000 0.188 82 N C -0.145 175.092 175.510 -0.456 0.000 1.146 82 N CA 2.065 54.972 53.050 -0.239 0.000 0.893 82 N CB -0.289 37.947 38.487 -0.418 0.000 0.975 82 N HN 0.287 8.689 8.380 0.036 0.000 0.451 83 Y N -3.175 117.126 120.300 0.002 0.000 2.432 83 Y HA 0.120 4.687 4.550 0.028 0.000 0.252 83 Y C -0.977 174.964 175.900 0.070 0.000 1.097 83 Y CA 0.440 58.557 58.100 0.027 0.000 1.250 83 Y CB 1.922 40.391 38.460 0.015 0.000 1.245 83 Y HN -0.279 8.425 8.280 0.235 -0.283 0.522 84 R N -0.763 119.885 120.500 0.247 0.000 2.668 84 R HA 0.220 4.686 4.340 0.209 0.000 0.272 84 R C -2.737 173.724 176.300 0.267 0.000 1.019 84 R CA -0.590 55.666 56.100 0.260 0.000 0.894 84 R CB 3.868 34.373 30.300 0.342 0.000 1.228 84 R HN -0.146 8.508 8.270 0.221 -0.251 0.460 85 N N 3.839 122.685 118.700 0.244 0.000 2.640 85 N HA 0.277 5.263 4.740 0.227 -0.110 0.262 85 N C -0.707 175.012 175.510 0.349 0.000 1.174 85 N CA -0.103 53.083 53.050 0.227 0.000 0.791 85 N CB 0.775 39.339 38.487 0.128 0.000 1.279 85 N HN 0.471 8.988 8.380 0.228 0.000 0.535 86 A N 4.063 127.079 122.820 0.326 0.000 2.238 86 A HA 0.029 4.492 4.320 0.238 0.000 0.208 86 A C 0.079 177.890 177.584 0.379 0.000 1.177 86 A CA 0.397 52.606 52.037 0.288 0.000 0.804 86 A CB 0.103 19.185 19.000 0.137 0.000 0.823 86 A HN 0.770 9.114 8.150 0.324 0.000 0.482 87 H N -2.361 116.763 119.070 0.090 0.000 2.756 87 H HA -0.394 4.199 4.556 0.061 0.000 0.315 87 H C -2.016 173.349 175.328 0.061 0.000 1.210 87 H CA 0.928 57.012 56.048 0.061 0.000 1.150 87 H CB -3.188 26.593 29.762 0.032 0.000 1.463 87 H HN -0.305 8.296 8.280 0.262 -0.164 0.427 88 S N -5.696 110.125 115.700 0.202 0.000 2.615 88 S HA 0.784 5.425 4.470 0.116 -0.101 0.269 88 S C -2.585 172.151 174.600 0.227 0.000 1.161 88 S CA -0.971 57.341 58.200 0.186 0.000 0.817 88 S CB 4.123 67.420 63.200 0.161 0.000 1.131 88 S HN -0.445 7.995 8.310 0.218 0.000 0.467 89 A N -1.622 121.284 122.820 0.143 0.000 2.549 89 A HA 0.730 5.019 4.320 -0.256 -0.124 0.297 89 A C -2.239 175.316 177.584 -0.047 0.000 1.061 89 A CA -0.385 51.620 52.037 -0.054 0.000 0.690 89 A CB 3.972 22.912 19.000 -0.099 0.000 1.287 89 A HN 0.688 8.903 8.150 0.108 0.000 0.402 90 T N 2.694 117.119 114.554 -0.215 0.000 2.863 90 T HA 1.064 5.466 4.350 -0.255 -0.205 0.285 90 T C -0.744 173.667 174.700 -0.482 0.000 1.009 90 T CA -1.485 60.393 62.100 -0.369 0.000 0.989 90 T CB 3.104 71.609 68.868 -0.605 0.000 1.004 90 T HN 0.755 8.728 8.240 -0.446 0.000 0.455 91 T N 1.990 116.262 114.554 -0.470 0.000 2.861 91 T HA 0.746 5.171 4.350 -0.199 -0.194 0.287 91 T C -1.433 173.017 174.700 -0.417 0.000 1.003 91 T CA -1.805 60.110 62.100 -0.308 0.000 0.977 91 T CB 2.410 71.179 68.868 -0.165 0.000 0.996 91 T HN 0.542 8.532 8.240 -0.417 0.000 0.448 92 W N 4.504 125.423 121.300 -0.634 0.000 2.587 92 W HA 0.502 5.155 4.660 -0.268 -0.153 0.324 92 W C -1.305 174.887 176.519 -0.545 0.000 1.040 92 W CA -1.387 55.554 57.345 -0.673 0.000 1.222 92 W CB 3.577 32.150 29.460 -1.478 0.000 1.381 92 W HN 0.877 8.881 8.180 -0.293 0.000 0.483 93 S N 1.905 117.562 115.700 -0.071 0.000 2.502 93 S HA 0.777 5.365 4.470 -0.024 -0.133 0.304 93 S C -1.019 173.611 174.600 0.049 0.000 1.097 93 S CA -1.634 56.553 58.200 -0.020 0.000 1.045 93 S CB 1.494 64.682 63.200 -0.019 0.000 1.019 93 S HN 0.715 9.020 8.310 -0.010 0.000 0.481 94 G N 3.782 112.636 108.800 0.090 0.000 2.435 94 G HA2 0.556 4.581 3.960 0.108 0.000 0.296 94 G HA3 0.556 4.801 3.960 0.175 -0.180 0.296 94 G C -3.550 171.441 174.900 0.151 0.000 1.240 94 G CA 0.870 46.050 45.100 0.133 0.000 0.872 94 G HN 0.582 8.928 8.290 0.094 0.000 0.480 95 Q N -3.215 116.684 119.800 0.164 0.000 2.418 95 Q HA 0.870 5.491 4.340 0.191 -0.166 0.282 95 Q C -2.590 173.518 176.000 0.179 0.000 1.044 95 Q CA -1.990 53.913 55.803 0.167 0.000 0.813 95 Q CB 4.499 33.310 28.738 0.122 0.000 1.428 95 Q HN 0.128 8.499 8.270 0.169 0.000 0.402 96 Y N 2.822 123.155 120.300 0.054 0.000 2.323 96 Y HA 0.633 5.332 4.550 -0.025 -0.164 0.331 96 Y C -2.322 173.613 175.900 0.059 0.000 1.092 96 Y CA -1.500 56.608 58.100 0.013 0.000 1.150 96 Y CB 2.462 40.907 38.460 -0.025 0.000 1.200 96 Y HN 0.794 9.143 8.280 0.299 0.110 0.472 97 V N 6.996 126.511 119.914 -0.665 0.000 2.531 97 V HA 0.267 4.171 4.120 -0.359 0.000 0.301 97 V C -1.268 174.330 176.094 -0.827 0.000 1.034 97 V CA -1.304 60.702 62.300 -0.490 0.000 0.865 97 V CB 3.452 35.170 31.823 -0.176 0.000 0.995 97 V HN 0.468 8.289 8.190 -0.616 0.000 0.424 98 G N 4.335 112.756 108.800 -0.632 0.000 2.583 98 G HA2 0.486 4.258 3.960 -0.314 0.000 0.280 98 G HA3 0.486 4.409 3.960 -0.062 0.000 0.280 98 G C -0.509 174.351 174.900 -0.067 0.000 1.376 98 G CA -1.525 43.398 45.100 -0.294 0.000 1.043 98 G HN 0.318 8.373 8.290 -0.392 0.000 0.538 99 G N -2.467 106.349 108.800 0.027 0.000 2.483 99 G HA2 -0.275 3.705 3.960 0.032 0.000 0.521 99 G HA3 -0.275 3.691 3.960 0.009 0.000 0.521 99 G C 0.062 174.981 174.900 0.031 0.000 1.278 99 G CA -0.888 44.227 45.100 0.025 0.000 0.965 99 G HN -0.215 8.123 8.290 0.081 0.000 0.504 100 A N 0.248 123.081 122.820 0.023 0.000 1.881 100 A HA -0.202 4.127 4.320 0.016 0.000 0.219 100 A C 0.628 178.228 177.584 0.027 0.000 1.215 100 A CA 2.218 54.267 52.037 0.020 0.000 0.648 100 A CB -0.012 18.998 19.000 0.016 0.000 0.832 100 A HN 0.291 8.452 8.150 0.019 0.000 0.455 101 E N -1.374 118.847 120.200 0.034 0.000 2.969 101 E HA 0.123 4.509 4.350 0.059 0.000 0.213 101 E C -2.059 174.586 176.600 0.074 0.000 1.107 101 E CA -1.800 54.633 56.400 0.055 0.000 1.007 101 E CB -0.910 28.821 29.700 0.050 0.000 1.326 101 E HN 0.023 8.400 8.360 0.027 0.000 0.432 102 A N 3.579 126.458 122.820 0.098 0.000 2.462 102 A HA 0.155 4.607 4.320 0.001 -0.131 0.243 102 A C -0.927 176.835 177.584 0.297 0.000 1.076 102 A CA 0.370 52.489 52.037 0.137 0.000 0.773 102 A CB 0.853 20.006 19.000 0.256 0.000 1.010 102 A HN 0.015 8.165 8.150 0.085 0.050 0.493 103 R N -2.521 118.108 120.500 0.214 0.000 2.733 103 R HA 0.797 5.609 4.340 0.579 -0.124 0.272 103 R C -2.342 174.014 176.300 0.093 0.000 1.029 103 R CA -1.468 54.808 56.100 0.292 0.000 0.888 103 R CB 3.383 33.812 30.300 0.215 0.000 1.251 103 R HN 0.576 8.839 8.270 -0.011 0.000 0.464 104 I N -0.229 120.413 120.570 0.120 0.000 2.439 104 I HA 0.639 5.089 4.170 0.097 -0.221 0.285 104 I C -1.770 174.530 176.117 0.304 0.000 1.021 104 I CA -1.286 60.085 61.300 0.119 0.000 1.091 104 I CB 2.735 40.694 38.000 -0.068 0.000 1.242 104 I HN 0.286 8.652 8.210 0.260 0.000 0.439 105 N N 8.747 127.590 118.700 0.239 0.000 2.421 105 N HA 0.498 5.406 4.740 0.279 0.000 0.285 105 N C -0.974 174.700 175.510 0.274 0.000 1.027 105 N CA 0.112 53.308 53.050 0.244 0.000 0.918 105 N CB 2.435 41.012 38.487 0.151 0.000 1.152 105 N HN 0.269 8.757 8.380 0.179 0.000 0.485 106 T N -0.465 114.292 114.554 0.339 0.000 2.841 106 T HA 0.741 5.369 4.350 0.225 -0.143 0.296 106 T C -1.278 173.586 174.700 0.273 0.000 1.166 106 T CA -2.243 60.052 62.100 0.326 0.000 1.007 106 T CB 3.555 72.725 68.868 0.503 0.000 1.253 106 T HN 0.692 9.151 8.240 0.365 0.000 0.511 107 Q N 0.021 119.917 119.800 0.160 0.000 2.375 107 Q HA 0.762 5.216 4.340 -0.056 -0.148 0.271 107 Q C -1.748 174.225 176.000 -0.043 0.000 1.074 107 Q CA -0.860 54.935 55.803 -0.012 0.000 0.808 107 Q CB 4.957 33.666 28.738 -0.047 0.000 1.327 107 Q HN 0.300 8.654 8.270 0.141 0.000 0.441 108 W N -1.431 119.765 121.300 -0.172 0.000 2.962 108 W HA 0.989 5.540 4.660 -0.437 -0.153 0.341 108 W C -2.927 173.395 176.519 -0.329 0.000 1.155 108 W CA -2.913 54.172 57.345 -0.433 0.000 1.165 108 W CB 3.443 32.342 29.460 -0.935 0.000 1.435 108 W HN 1.134 8.759 8.180 -0.737 0.113 0.546 109 L N -0.105 121.127 121.223 0.015 0.000 2.381 109 L HA 0.798 5.340 4.340 -0.002 -0.204 0.274 109 L C -1.830 175.070 176.870 0.050 0.000 0.988 109 L CA -1.316 53.531 54.840 0.011 0.000 0.824 109 L CB 2.876 44.895 42.059 -0.066 0.000 1.263 109 L HN 0.468 8.633 8.230 -0.108 0.000 0.410 110 L N 5.760 127.066 121.223 0.138 0.000 2.319 110 L HA 0.807 5.307 4.340 -0.033 -0.180 0.281 110 L C -1.926 174.955 176.870 0.018 0.000 1.005 110 L CA -1.769 53.095 54.840 0.040 0.000 0.828 110 L CB 3.068 45.145 42.059 0.030 0.000 1.227 110 L HN 0.844 9.185 8.230 0.184 0.000 0.415 111 T N 10.737 125.290 114.554 -0.001 0.000 2.823 111 T HA 0.679 5.240 4.350 -0.022 -0.224 0.279 111 T C -0.641 174.063 174.700 0.006 0.000 0.998 111 T CA -0.498 61.595 62.100 -0.011 0.000 0.994 111 T CB 2.057 70.913 68.868 -0.020 0.000 0.960 111 T HN 0.865 9.101 8.240 -0.006 0.000 0.448 112 S N 6.005 121.699 115.700 -0.010 0.000 2.549 112 S HA 0.451 5.086 4.470 0.042 -0.140 0.297 112 S C -0.209 174.395 174.600 0.006 0.000 1.115 112 S CA -0.598 57.605 58.200 0.006 0.000 1.059 112 S CB 2.669 65.852 63.200 -0.027 0.000 1.046 112 S HN 0.187 8.476 8.310 -0.034 0.000 0.506 113 G N 1.713 110.538 108.800 0.042 0.000 2.378 113 G HA2 -0.042 3.929 3.960 0.019 0.000 0.255 113 G HA3 -0.042 3.957 3.960 0.065 0.000 0.255 113 G C -1.184 173.724 174.900 0.013 0.000 1.270 113 G CA 0.518 45.639 45.100 0.036 0.000 0.876 113 G HN 0.173 8.512 8.290 0.081 0.000 0.521 114 T N 1.038 115.588 114.554 -0.006 0.000 2.742 114 T HA 0.256 4.592 4.350 -0.022 0.000 0.282 114 T C -0.760 173.938 174.700 -0.004 0.000 1.025 114 T CA -1.674 60.412 62.100 -0.023 0.000 1.020 114 T CB 2.448 71.279 68.868 -0.062 0.000 1.317 114 T HN -0.172 8.065 8.240 -0.004 0.000 0.538 115 T N -3.142 111.410 114.554 -0.003 0.000 2.902 115 T HA 0.210 4.570 4.350 0.016 0.000 0.280 115 T C 1.120 175.834 174.700 0.023 0.000 0.992 115 T CA -1.295 60.813 62.100 0.013 0.000 1.015 115 T CB 1.321 70.199 68.868 0.017 0.000 1.044 115 T HN -0.109 8.122 8.240 -0.014 0.000 0.520 116 E N 1.158 121.377 120.200 0.033 0.000 2.097 116 E HA -0.463 3.913 4.350 0.043 0.000 0.196 116 E C 2.485 179.133 176.600 0.079 0.000 1.000 116 E CA 3.430 59.858 56.400 0.047 0.000 0.804 116 E CB -0.542 29.183 29.700 0.042 0.000 0.740 116 E HN 0.457 8.834 8.360 0.029 0.000 0.454 117 A N -1.142 121.727 122.820 0.082 0.000 1.978 117 A HA -0.189 4.215 4.320 0.139 0.000 0.220 117 A C 0.639 178.353 177.584 0.216 0.000 1.170 117 A CA 2.517 54.634 52.037 0.132 0.000 0.636 117 A CB -0.796 18.265 19.000 0.102 0.000 0.810 117 A HN 0.253 8.432 8.150 0.060 0.007 0.448 118 N N -3.858 114.902 118.700 0.100 0.000 2.230 118 N HA 0.101 4.839 4.740 -0.003 0.000 0.202 118 N C 0.900 176.303 175.510 -0.178 0.000 1.119 118 N CA 0.116 53.142 53.050 -0.040 0.000 0.851 118 N CB 0.678 39.112 38.487 -0.088 0.000 0.990 118 N HN -0.514 7.767 8.380 0.058 0.134 0.497 119 A N 1.487 124.295 122.820 -0.020 0.000 1.940 119 A HA -0.166 4.109 4.320 -0.074 0.000 0.219 119 A C 1.734 179.279 177.584 -0.065 0.000 1.176 119 A CA 3.262 55.278 52.037 -0.035 0.000 0.631 119 A CB -0.510 18.512 19.000 0.038 0.000 0.814 119 A HN -0.322 7.682 8.150 0.064 0.184 0.446 120 W N -4.926 116.372 121.300 -0.004 0.000 2.387 120 W HA -0.247 4.409 4.660 -0.008 0.000 0.272 120 W C -0.270 176.244 176.519 -0.008 0.000 1.224 120 W CA 0.798 58.139 57.345 -0.007 0.000 1.210 120 W CB -0.990 28.465 29.460 -0.007 0.000 1.125 120 W HN -0.014 8.327 8.180 0.287 0.011 0.572 121 K N -1.618 118.132 120.400 -1.084 0.000 2.699 121 K HA 0.371 4.262 4.320 -0.715 0.000 0.210 121 K C 0.037 176.351 176.600 -0.478 0.000 1.076 121 K CA -0.422 55.259 56.287 -1.010 0.000 1.109 121 K CB -0.364 31.137 32.500 -1.666 0.000 0.862 121 K HN -0.656 6.727 8.250 -1.193 0.151 0.470 122 S N -0.327 115.197 115.700 -0.293 0.000 2.528 122 S HA 0.003 4.363 4.470 -0.182 0.000 0.219 122 S C -0.724 173.811 174.600 -0.109 0.000 0.985 122 S CA 1.456 59.553 58.200 -0.171 0.000 0.914 122 S CB 0.747 63.881 63.200 -0.111 0.000 0.776 122 S HN -0.012 8.008 8.310 -0.253 0.139 0.526 123 T N 4.491 118.985 114.554 -0.099 0.000 2.792 123 T HA 0.678 5.243 4.350 -0.038 -0.238 0.280 123 T C -0.424 174.247 174.700 -0.049 0.000 0.990 123 T CA 0.298 62.364 62.100 -0.056 0.000 0.960 123 T CB 2.010 70.852 68.868 -0.044 0.000 0.939 123 T HN -0.739 7.429 8.240 -0.121 0.000 0.439 124 L N 7.107 128.327 121.223 -0.005 0.000 2.344 124 L HA 0.374 4.689 4.340 -0.041 0.000 0.272 124 L C -1.690 175.143 176.870 -0.061 0.000 1.035 124 L CA -0.950 53.895 54.840 0.008 0.000 0.807 124 L CB 2.393 44.531 42.059 0.132 0.000 1.237 124 L HN 0.830 9.074 8.230 0.024 0.000 0.442 125 V N 1.109 120.870 119.914 -0.256 0.000 2.823 125 V HA 0.955 4.944 4.120 -0.553 -0.200 0.312 125 V C -1.098 174.405 176.094 -0.986 0.000 1.072 125 V CA -2.839 59.145 62.300 -0.528 0.000 0.937 125 V CB 3.177 34.822 31.823 -0.297 0.000 1.013 125 V HN -0.029 8.038 8.190 -0.204 0.000 0.430 126 G N 4.662 112.466 108.800 -1.660 0.000 2.619 126 G HA2 0.259 3.739 3.960 -0.800 0.000 0.305 126 G HA3 0.259 2.933 3.960 -2.144 0.000 0.305 126 G C -3.344 170.781 174.900 -1.293 0.000 1.330 126 G CA 0.283 44.411 45.100 -1.620 0.000 0.789 126 G HN 0.214 7.549 8.290 -1.592 0.000 0.487 127 H N -4.197 114.523 119.070 -0.584 0.000 2.961 127 H HA 0.442 4.980 4.556 -0.161 -0.079 0.371 127 H C -1.906 173.573 175.328 0.251 0.000 1.190 127 H CA -1.632 54.334 56.048 -0.136 0.000 1.138 127 H CB 3.510 33.220 29.762 -0.086 0.000 1.816 127 H HN 0.075 7.744 8.280 -1.019 0.000 0.551 128 D N -0.284 120.378 120.400 0.437 0.000 2.753 128 D HA 0.204 4.962 4.640 0.197 0.000 0.224 128 D C -1.404 175.026 176.300 0.216 0.000 1.213 128 D CA -0.137 54.041 54.000 0.297 0.000 0.833 128 D CB 4.680 45.632 40.800 0.253 0.000 1.607 128 D HN 0.221 8.764 8.370 0.473 0.111 0.463 129 T N 3.139 117.719 114.554 0.042 0.000 2.824 129 T HA 0.677 5.383 4.350 0.282 -0.187 0.282 129 T C -1.214 173.492 174.700 0.009 0.000 0.993 129 T CA -0.274 61.910 62.100 0.140 0.000 0.967 129 T CB 1.587 70.549 68.868 0.156 0.000 0.960 129 T HN 0.221 8.441 8.240 -0.034 0.000 0.441 130 F N 6.342 126.478 119.950 0.311 0.000 2.492 130 F HA 0.849 5.810 4.527 0.373 -0.210 0.327 130 F C -0.290 175.785 175.800 0.458 0.000 1.079 130 F CA -1.557 56.668 58.000 0.375 0.000 0.967 130 F CB 3.653 42.880 39.000 0.378 0.000 1.169 130 F HN 0.876 9.523 8.300 0.578 0.000 0.472 131 T N -3.391 111.575 114.554 0.687 0.000 2.887 131 T HA 0.602 5.368 4.350 0.694 0.000 0.292 131 T C 0.439 175.368 174.700 0.381 0.000 1.087 131 T CA -2.195 60.237 62.100 0.553 0.000 1.009 131 T CB 3.357 72.410 68.868 0.308 0.000 1.203 131 T HN 0.724 9.341 8.240 0.629 0.000 0.518 132 K N 0.550 120.971 120.400 0.036 0.000 2.400 132 K HA 0.212 4.382 4.320 -0.503 -0.152 0.194 132 K C -0.681 175.954 176.600 0.059 0.000 1.033 132 K CA 1.838 57.974 56.287 -0.252 0.000 1.021 132 K CB 0.604 32.840 32.500 -0.439 0.000 0.808 132 K HN 0.515 8.818 8.250 0.089 0.000 0.505 133 V N 0.000 119.983 119.914 0.114 0.000 2.409 133 V HA 0.000 4.106 4.120 -0.023 0.000 0.244 133 V CA 0.000 62.312 62.300 0.020 0.000 1.235 133 V CB 0.000 31.824 31.823 0.001 0.000 1.184 133 V HN 0.000 8.205 8.190 0.131 0.063 0.556