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 2izh_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VK 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 4.398 4.320 0.130 0.000 0.244 13 A C 0.000 177.495 177.584 -0.149 0.000 1.274 13 A CA 0.000 52.050 52.037 0.021 0.000 0.836 13 A CB 0.000 19.027 19.000 0.046 0.000 0.831 14 E N 2.146 122.312 120.200 -0.057 0.000 2.058 14 E HA -0.409 3.674 4.350 -0.444 0.000 0.194 14 E C 1.707 178.191 176.600 -0.194 0.000 0.997 14 E CA 3.475 59.765 56.400 -0.182 0.000 0.801 14 E CB -0.628 29.071 29.700 -0.002 0.000 0.746 14 E HN 0.725 9.127 8.360 0.070 0.000 0.450 15 A N -1.130 121.626 122.820 -0.106 0.000 1.972 15 A HA -0.266 3.996 4.320 -0.096 0.000 0.219 15 A C 2.037 179.559 177.584 -0.104 0.000 1.169 15 A CA 2.410 54.393 52.037 -0.090 0.000 0.635 15 A CB -1.107 17.867 19.000 -0.043 0.000 0.810 15 A HN 0.295 8.410 8.150 -0.059 0.000 0.446 16 G N -2.424 106.302 108.800 -0.123 0.000 2.403 16 G HA2 -0.156 3.817 3.960 0.022 0.000 0.216 16 G HA3 -0.156 3.783 3.960 -0.035 0.000 0.216 16 G C 1.126 175.899 174.900 -0.212 0.000 1.154 16 G CA 1.217 46.265 45.100 -0.088 0.000 0.784 16 G HN 0.017 8.117 8.290 -0.128 0.113 0.538 17 I N 1.510 121.814 120.570 -0.443 0.000 2.400 17 I HA -0.191 3.883 4.170 -0.160 0.000 0.248 17 I C -0.013 176.054 176.117 -0.084 0.000 1.109 17 I CA 2.588 63.673 61.300 -0.357 0.000 1.425 17 I CB 0.495 38.091 38.000 -0.673 0.000 1.094 17 I HN -0.407 7.520 8.210 -0.470 0.000 0.425 18 T N 2.043 116.480 114.554 -0.196 0.000 2.905 18 T HA -0.382 4.018 4.350 -0.221 -0.183 0.299 18 T C -0.089 174.531 174.700 -0.133 0.000 1.024 18 T CA 3.452 65.448 62.100 -0.174 0.000 1.151 18 T CB -0.127 68.639 68.868 -0.169 0.000 0.987 18 T HN -0.191 7.896 8.240 -0.254 0.000 0.535 19 G N 5.513 114.211 108.800 -0.170 0.000 2.350 19 G HA2 -0.079 3.744 3.960 -0.228 0.000 0.282 19 G HA3 -0.079 3.676 3.960 -0.342 0.000 0.282 19 G C -2.957 171.767 174.900 -0.293 0.000 1.314 19 G CA 0.225 45.171 45.100 -0.256 0.000 0.915 19 G HN 0.313 8.480 8.290 -0.205 0.000 0.499 20 T N 2.163 116.476 114.554 -0.402 0.000 2.797 20 T HA 0.765 5.084 4.350 -0.325 -0.164 0.279 20 T C -1.220 173.164 174.700 -0.527 0.000 0.991 20 T CA 0.115 61.985 62.100 -0.383 0.000 0.979 20 T CB 1.782 70.470 68.868 -0.299 0.000 0.943 20 T HN 0.241 8.221 8.240 -0.434 0.000 0.444 21 W N 4.730 125.758 121.300 -0.454 0.000 2.950 21 W HA 0.522 5.307 4.660 -0.066 -0.164 0.340 21 W C -1.769 174.569 176.519 -0.302 0.000 1.139 21 W CA -1.455 55.779 57.345 -0.185 0.000 1.188 21 W CB 3.814 33.315 29.460 0.069 0.000 1.426 21 W HN 1.018 9.070 8.180 -0.213 0.000 0.531 22 Y N -1.954 118.641 120.300 0.492 0.000 2.545 22 Y HA 0.868 5.798 4.550 0.299 -0.201 0.348 22 Y C -0.935 175.116 175.900 0.252 0.000 1.002 22 Y CA -1.730 56.556 58.100 0.311 0.000 1.039 22 Y CB 3.997 42.545 38.460 0.147 0.000 1.271 22 Y HN 0.584 9.188 8.280 0.540 0.000 0.467 23 N N 0.240 119.046 118.700 0.176 0.000 2.592 23 N HA 0.717 5.552 4.740 -0.174 -0.199 0.292 23 N C 2.007 177.517 175.510 0.000 0.000 1.260 23 N CA -2.840 50.102 53.050 -0.179 0.000 0.910 23 N CB 1.828 39.908 38.487 -0.678 0.000 1.257 23 N HN -0.135 8.390 8.380 0.240 0.000 0.569 24 Q N -0.985 118.801 119.800 -0.024 0.000 2.368 24 Q HA -0.180 4.187 4.340 0.045 0.000 0.210 24 Q C 0.285 176.308 176.000 0.038 0.000 0.982 24 Q CA 2.451 58.272 55.803 0.030 0.000 0.884 24 Q CB -0.862 27.899 28.738 0.039 0.000 0.933 24 Q HN 0.258 8.476 8.270 -0.088 0.000 0.460 25 L N -2.471 118.778 121.223 0.044 0.000 2.529 25 L HA 0.154 4.521 4.340 0.044 0.000 0.223 25 L C 0.727 177.635 176.870 0.063 0.000 1.113 25 L CA -0.121 54.752 54.840 0.055 0.000 0.861 25 L CB 0.620 42.723 42.059 0.073 0.000 1.012 25 L HN -0.458 7.959 8.230 0.030 -0.170 0.461 26 G N -2.298 106.551 108.800 0.082 0.000 2.144 26 G HA2 -0.347 3.654 3.960 0.068 0.000 0.218 26 G HA3 -0.347 3.641 3.960 0.046 0.000 0.218 26 G C -0.467 174.531 174.900 0.163 0.000 0.988 26 G CA -0.196 44.955 45.100 0.086 0.000 0.659 26 G HN -0.297 7.977 8.290 0.086 0.067 0.522 27 S N 1.322 117.132 115.700 0.185 0.000 2.617 27 S HA 0.251 4.879 4.470 0.156 -0.064 0.269 27 S C -0.887 173.826 174.600 0.188 0.000 1.292 27 S CA 1.531 59.828 58.200 0.162 0.000 1.010 27 S CB 1.524 64.842 63.200 0.197 0.000 0.944 27 S HN -0.386 8.260 8.310 0.160 -0.239 0.536 28 T N 4.194 118.750 114.554 0.004 0.000 2.797 28 T HA 0.594 4.943 4.350 -0.252 -0.151 0.279 28 T C -1.613 172.876 174.700 -0.351 0.000 0.991 28 T CA -0.087 61.933 62.100 -0.133 0.000 0.979 28 T CB 1.672 70.546 68.868 0.009 0.000 0.943 28 T HN 0.711 8.915 8.240 -0.060 0.000 0.444 29 F N 8.643 128.306 119.950 -0.478 0.000 2.499 29 F HA 0.627 4.964 4.527 -0.531 -0.128 0.333 29 F C -3.076 172.534 175.800 -0.315 0.000 1.138 29 F CA -2.768 54.941 58.000 -0.484 0.000 0.945 29 F CB 3.176 41.844 39.000 -0.554 0.000 1.181 29 F HN 0.953 9.104 8.300 -0.247 0.000 0.435 30 I N 8.533 128.861 120.570 -0.404 0.000 2.355 30 I HA 0.497 4.590 4.170 -0.399 -0.162 0.288 30 I C -2.306 173.489 176.117 -0.537 0.000 0.999 30 I CA -0.956 60.103 61.300 -0.401 0.000 1.163 30 I CB 2.039 39.907 38.000 -0.219 0.000 1.316 30 I HN 0.751 8.821 8.210 -0.233 0.000 0.454 31 V N 8.768 128.302 119.914 -0.633 0.000 3.078 31 V HA 0.813 4.835 4.120 -0.441 -0.167 0.311 31 V C -2.340 173.536 176.094 -0.364 0.000 1.138 31 V CA -2.796 59.151 62.300 -0.587 0.000 1.007 31 V CB 5.381 36.572 31.823 -1.054 0.000 1.045 31 V HN 0.843 8.707 8.190 -0.543 0.000 0.432 32 T N 8.576 122.965 114.554 -0.275 0.000 2.841 32 T HA 0.307 4.536 4.350 -0.202 0.000 0.285 32 T C -2.109 172.480 174.700 -0.185 0.000 0.991 32 T CA -0.631 61.351 62.100 -0.195 0.000 0.966 32 T CB 2.132 70.923 68.868 -0.129 0.000 0.962 32 T HN 0.449 8.533 8.240 -0.260 0.000 0.438 33 A N 7.409 130.104 122.820 -0.209 0.000 2.260 33 A HA 0.705 5.068 4.320 -0.176 -0.149 0.308 33 A C -0.858 176.722 177.584 -0.007 0.000 1.254 33 A CA -1.869 50.034 52.037 -0.223 0.000 0.874 33 A CB 1.330 19.998 19.000 -0.554 0.000 1.153 33 A HN 0.714 8.738 8.150 -0.210 0.000 0.527 34 G N 1.194 110.079 108.800 0.142 0.000 2.451 34 G HA2 0.258 4.252 3.960 0.057 0.000 0.303 34 G HA3 0.258 4.273 3.960 0.093 0.000 0.303 34 G C -0.013 174.987 174.900 0.167 0.000 1.166 34 G CA -1.363 43.807 45.100 0.117 0.000 0.884 34 G HN 0.720 9.030 8.290 0.217 0.111 0.514 35 A N 0.879 123.749 122.820 0.084 0.000 2.019 35 A HA -0.219 4.154 4.320 0.088 0.000 0.219 35 A C 0.619 178.208 177.584 0.008 0.000 1.164 35 A CA 2.383 54.455 52.037 0.057 0.000 0.644 35 A CB -0.213 18.804 19.000 0.028 0.000 0.805 35 A HN 0.495 8.677 8.150 0.054 0.000 0.449 36 D N -7.411 112.989 120.400 0.001 0.000 2.328 36 D HA -0.167 4.443 4.640 -0.050 0.000 0.226 36 D C 0.273 176.510 176.300 -0.105 0.000 1.066 36 D CA -0.905 53.070 54.000 -0.040 0.000 0.861 36 D CB -0.733 40.057 40.800 -0.017 0.000 0.912 36 D HN -0.238 8.107 8.370 0.027 0.041 0.521 37 G N -1.855 106.839 108.800 -0.177 0.000 2.157 37 G HA2 -0.442 2.747 3.960 -1.284 0.000 0.239 37 G HA3 -0.442 3.280 3.960 -0.396 0.000 0.239 37 G C -1.428 173.436 174.900 -0.061 0.000 0.982 37 G CA -0.011 44.810 45.100 -0.464 0.000 0.650 37 G HN -0.152 7.923 8.290 -0.074 0.171 0.527 38 A N 0.032 122.919 122.820 0.111 0.000 2.302 38 A HA 0.557 5.071 4.320 0.121 -0.122 0.285 38 A C -1.791 175.918 177.584 0.208 0.000 1.105 38 A CA -1.289 50.834 52.037 0.144 0.000 0.816 38 A CB 2.388 21.433 19.000 0.074 0.000 1.067 38 A HN -0.534 7.832 8.150 0.093 -0.160 0.489 39 L N 0.577 121.884 121.223 0.140 0.000 2.385 39 L HA 1.000 5.554 4.340 -0.012 -0.221 0.273 39 L C -0.373 176.504 176.870 0.011 0.000 0.990 39 L CA -1.356 53.513 54.840 0.049 0.000 0.821 39 L CB 3.507 45.602 42.059 0.059 0.000 1.279 39 L HN 0.062 8.368 8.230 0.127 0.000 0.412 40 T N 1.892 116.417 114.554 -0.050 0.000 2.883 40 T HA 0.865 5.383 4.350 -0.012 -0.176 0.301 40 T C -1.376 173.262 174.700 -0.102 0.000 1.158 40 T CA -2.405 59.670 62.100 -0.042 0.000 1.007 40 T CB 2.673 71.526 68.868 -0.025 0.000 1.186 40 T HN 0.066 8.251 8.240 -0.093 0.000 0.499 41 G N 1.855 110.607 108.800 -0.079 0.000 2.367 41 G HA2 0.234 4.125 3.960 -0.114 0.000 0.272 41 G HA3 0.234 4.275 3.960 -0.196 -0.199 0.272 41 G C -2.943 171.932 174.900 -0.040 0.000 1.271 41 G CA 0.977 46.009 45.100 -0.114 0.000 0.893 41 G HN -0.420 7.847 8.290 -0.038 0.000 0.485 42 T N -2.611 111.925 114.554 -0.031 0.000 2.896 42 T HA 1.001 5.593 4.350 0.101 -0.181 0.297 42 T C -2.561 172.226 174.700 0.146 0.000 1.108 42 T CA -2.234 59.907 62.100 0.067 0.000 1.004 42 T CB 3.721 72.616 68.868 0.045 0.000 1.159 42 T HN 0.242 8.424 8.240 -0.097 0.000 0.499 43 Y N 1.167 121.539 120.300 0.120 0.000 2.477 43 Y HA 0.720 5.547 4.550 0.168 -0.177 0.347 43 Y C -2.638 173.461 175.900 0.333 0.000 0.981 43 Y CA -1.863 56.350 58.100 0.189 0.000 1.033 43 Y CB 4.689 43.224 38.460 0.125 0.000 1.245 43 Y HN 0.712 9.191 8.280 0.331 0.000 0.455 44 E N 7.410 127.721 120.200 0.184 0.000 2.216 44 E HA 0.526 5.351 4.350 0.559 -0.140 0.260 44 E C -2.192 174.592 176.600 0.306 0.000 0.880 44 E CA -1.648 54.955 56.400 0.337 0.000 0.765 44 E CB 4.025 33.836 29.700 0.185 0.000 1.174 44 E HN 0.758 8.954 8.360 -0.273 0.000 0.417 45 S N 7.466 123.455 115.700 0.481 0.000 2.554 45 S HA 0.144 4.861 4.470 0.412 0.000 0.278 45 S C -0.144 174.563 174.600 0.179 0.000 1.242 45 S CA -1.107 57.307 58.200 0.357 0.000 1.051 45 S CB 1.398 64.705 63.200 0.178 0.000 0.986 45 S HN 0.745 9.403 8.310 0.580 0.000 0.502 46 A N 6.290 129.191 122.820 0.136 0.000 2.178 46 A HA 0.107 4.476 4.320 0.083 0.000 0.211 46 A C -0.405 177.199 177.584 0.033 0.000 1.157 46 A CA 0.787 52.872 52.037 0.081 0.000 0.780 46 A CB 0.634 19.680 19.000 0.078 0.000 0.828 46 A HN 0.442 8.693 8.150 0.167 0.000 0.476 47 V N -6.063 113.850 119.914 -0.001 0.000 3.160 47 V HA 0.394 4.490 4.120 -0.040 0.000 0.310 47 V C -0.151 175.850 176.094 -0.155 0.000 1.181 47 V CA -1.730 60.535 62.300 -0.059 0.000 1.047 47 V CB 2.732 34.525 31.823 -0.050 0.000 1.068 47 V HN -0.633 7.517 8.190 0.013 0.048 0.441 48 G N 0.736 109.440 108.800 -0.161 0.000 2.660 48 G HA2 -0.308 3.525 3.960 -0.211 0.000 0.247 48 G HA3 -0.308 3.419 3.960 -0.388 0.000 0.247 48 G C -1.228 173.553 174.900 -0.197 0.000 1.328 48 G CA -0.409 44.543 45.100 -0.246 0.000 0.884 48 G HN 0.356 8.580 8.290 -0.111 0.000 0.531 49 N N 2.749 121.307 118.700 -0.236 0.000 3.188 49 N HA 0.021 4.716 4.740 -0.074 0.000 0.279 49 N C -1.799 173.637 175.510 -0.123 0.000 1.213 49 N CA -0.973 51.997 53.050 -0.134 0.000 1.138 49 N CB -1.291 37.128 38.487 -0.115 0.000 1.417 49 N HN 0.076 8.268 8.380 -0.313 0.000 0.526 50 A N 1.454 124.236 122.820 -0.064 0.000 2.549 50 A HA 0.328 4.819 4.320 0.285 0.000 0.297 50 A C -2.426 175.303 177.584 0.241 0.000 1.061 50 A CA -0.905 51.203 52.037 0.119 0.000 0.690 50 A CB 2.847 21.777 19.000 -0.116 0.000 1.287 50 A HN -0.425 7.636 8.150 -0.063 0.052 0.402 51 E N 2.335 122.789 120.200 0.424 0.000 2.321 51 E HA 0.234 4.704 4.350 0.199 0.000 0.281 51 E C -1.078 175.649 176.600 0.212 0.000 0.910 51 E CA -0.688 55.859 56.400 0.245 0.000 0.770 51 E CB 2.806 32.585 29.700 0.131 0.000 1.225 51 E HN 0.377 9.165 8.360 0.713 0.000 0.417 52 S N 1.002 116.785 115.700 0.138 0.000 3.784 52 S HA -0.430 4.171 4.470 0.036 -0.110 0.636 52 S C -1.367 173.302 174.600 0.115 0.000 2.075 52 S CA 1.321 59.549 58.200 0.047 0.000 2.280 52 S CB 0.417 63.577 63.200 -0.065 0.000 0.330 52 S HN 0.355 8.748 8.310 0.139 0.000 1.762 53 R N -0.472 120.037 120.500 0.016 0.000 2.457 53 R HA 0.316 5.005 4.340 0.281 -0.180 0.284 53 R C -0.705 175.514 176.300 -0.135 0.000 1.024 53 R CA -0.318 55.831 56.100 0.080 0.000 1.025 53 R CB 1.162 31.501 30.300 0.066 0.000 1.063 53 R HN -0.164 8.099 8.270 -0.011 0.000 0.493 54 Y N -0.802 119.599 120.300 0.168 0.000 2.499 54 Y HA 0.186 4.785 4.550 0.082 0.000 0.347 54 Y C -0.524 175.397 175.900 0.036 0.000 0.987 54 Y CA -1.136 57.014 58.100 0.084 0.000 1.044 54 Y CB 2.865 41.328 38.460 0.005 0.000 1.245 54 Y HN 0.376 8.930 8.280 0.457 0.000 0.461 55 V N 2.098 122.092 119.914 0.132 0.000 2.686 55 V HA -0.014 4.279 4.120 0.062 -0.136 0.295 55 V C -0.466 175.664 176.094 0.059 0.000 1.055 55 V CA 1.584 63.926 62.300 0.070 0.000 1.050 55 V CB 0.261 32.106 31.823 0.036 0.000 0.984 55 V HN 0.743 9.008 8.190 0.125 0.000 0.482 56 L N 1.415 122.673 121.223 0.058 0.000 2.371 56 L HA 1.086 5.649 4.340 0.079 -0.176 0.262 56 L C -1.459 175.453 176.870 0.071 0.000 1.006 56 L CA -1.702 53.187 54.840 0.082 0.000 0.818 56 L CB 4.249 46.371 42.059 0.105 0.000 1.354 56 L HN 0.151 8.408 8.230 0.045 0.000 0.415 57 T N 0.567 115.189 114.554 0.113 0.000 2.916 57 T HA 0.773 5.367 4.350 0.073 -0.201 0.305 57 T C -1.381 173.421 174.700 0.171 0.000 1.119 57 T CA -1.579 60.581 62.100 0.100 0.000 1.008 57 T CB 2.367 71.275 68.868 0.066 0.000 1.129 57 T HN -0.123 8.211 8.240 0.156 0.000 0.480 58 G N 2.526 111.426 108.800 0.167 0.000 2.634 58 G HA2 0.655 4.732 3.960 0.195 0.000 0.309 58 G HA3 0.655 4.956 3.960 0.323 -0.147 0.309 58 G C -2.903 172.107 174.900 0.182 0.000 1.299 58 G CA 0.580 45.812 45.100 0.221 0.000 0.798 58 G HN 0.359 8.724 8.290 0.125 0.000 0.490 59 R N -3.281 117.342 120.500 0.205 0.000 2.774 59 R HA 1.171 5.833 4.340 0.188 -0.209 0.272 59 R C -1.698 174.758 176.300 0.260 0.000 1.000 59 R CA -2.474 53.734 56.100 0.179 0.000 0.906 59 R CB 4.931 35.281 30.300 0.084 0.000 1.227 59 R HN 0.051 8.459 8.270 0.230 0.000 0.468 60 Y N -3.070 117.261 120.300 0.053 0.000 2.625 60 Y HA 0.556 5.266 4.550 0.073 -0.116 0.338 60 Y C -2.122 173.802 175.900 0.040 0.000 1.123 60 Y CA -2.466 55.666 58.100 0.054 0.000 1.046 60 Y CB 2.365 40.846 38.460 0.035 0.000 1.299 60 Y HN 0.283 8.565 8.280 0.003 0.000 0.464 61 D N 0.657 121.065 120.400 0.015 0.000 2.352 61 D HA 0.035 4.588 4.640 -0.145 0.000 0.245 61 D C -0.014 176.182 176.300 -0.173 0.000 1.224 61 D CA -0.665 53.287 54.000 -0.080 0.000 0.879 61 D CB 0.415 41.247 40.800 0.052 0.000 1.057 61 D HN -0.176 8.327 8.370 0.223 0.000 0.491 62 S N 4.046 119.503 115.700 -0.404 0.000 2.593 62 S HA -0.012 4.378 4.470 -0.134 0.000 0.217 62 S C 0.344 174.917 174.600 -0.045 0.000 0.966 62 S CA 0.169 58.196 58.200 -0.290 0.000 0.914 62 S CB 0.421 63.361 63.200 -0.433 0.000 0.776 62 S HN -0.202 7.868 8.310 -0.401 0.000 0.523 63 A N 1.300 124.104 122.820 -0.027 0.000 3.308 63 A HA 0.420 4.758 4.320 0.030 0.000 0.275 63 A C -2.670 174.933 177.584 0.033 0.000 0.950 63 A CA -1.901 50.142 52.037 0.011 0.000 0.987 63 A CB 0.041 19.035 19.000 -0.009 0.000 1.146 63 A HN -0.519 7.769 8.150 -0.053 -0.169 0.488 64 P HA -0.019 4.675 4.420 0.068 -0.233 0.275 64 P C -0.767 176.571 177.300 0.064 0.000 1.270 64 P CA -0.780 62.367 63.100 0.079 0.000 0.791 64 P CB 0.939 32.716 31.700 0.127 0.000 1.089 65 A N -0.878 121.979 122.820 0.062 0.000 2.409 65 A HA 0.119 4.464 4.320 0.041 0.000 0.262 65 A C 1.218 178.835 177.584 0.054 0.000 1.113 65 A CA 0.004 52.071 52.037 0.049 0.000 0.790 65 A CB 0.566 19.592 19.000 0.043 0.000 1.046 65 A HN 0.252 8.444 8.150 0.069 0.000 0.496 66 T N 1.050 115.631 114.554 0.045 0.000 3.722 66 T HA -0.053 4.328 4.350 0.053 0.000 0.247 66 T C -1.137 173.586 174.700 0.039 0.000 1.004 66 T CA 0.013 62.140 62.100 0.044 0.000 0.947 66 T CB -1.623 67.267 68.868 0.036 0.000 1.114 66 T HN 0.340 8.603 8.240 0.039 0.000 0.633 67 D N 1.520 121.944 120.400 0.041 0.000 2.801 67 D HA 0.068 4.726 4.640 0.031 0.000 0.277 67 D C 0.597 176.919 176.300 0.036 0.000 1.125 67 D CA -1.525 52.496 54.000 0.034 0.000 1.102 67 D CB 0.446 41.264 40.800 0.029 0.000 1.400 67 D HN -0.323 7.962 8.370 0.047 0.113 0.601 68 G N -2.238 106.579 108.800 0.029 0.000 3.471 68 G HA2 0.051 4.027 3.960 0.027 0.000 0.254 68 G HA3 0.051 4.023 3.960 0.021 0.000 0.254 68 G C -0.797 174.119 174.900 0.027 0.000 1.199 68 G CA -0.231 44.884 45.100 0.026 0.000 1.683 68 G HN 0.260 8.565 8.290 0.025 0.000 0.625 69 S N 0.703 116.425 115.700 0.037 0.000 2.608 69 S HA 0.162 4.652 4.470 0.034 0.000 0.291 69 S C 0.122 174.754 174.600 0.053 0.000 1.146 69 S CA -0.403 57.822 58.200 0.042 0.000 1.043 69 S CB 2.156 65.385 63.200 0.047 0.000 1.037 69 S HN -0.392 7.938 8.310 0.043 0.005 0.520 70 G N 0.149 108.982 108.800 0.055 0.000 2.580 70 G HA2 0.168 4.215 3.960 0.051 0.000 0.278 70 G HA3 0.168 4.164 3.960 0.063 0.001 0.278 70 G C -0.964 174.013 174.900 0.129 0.000 1.212 70 G CA -0.611 44.533 45.100 0.073 0.000 0.939 70 G HN 0.034 8.353 8.290 0.048 0.000 0.513 71 T N 3.390 118.067 114.554 0.204 0.000 2.749 71 T HA 0.119 4.583 4.350 0.189 0.000 0.287 71 T C -0.857 173.976 174.700 0.222 0.000 0.970 71 T CA 0.052 62.296 62.100 0.240 0.000 0.980 71 T CB 0.935 70.013 68.868 0.350 0.000 0.924 71 T HN 0.123 8.502 8.240 0.232 0.000 0.456 72 A N 8.256 131.179 122.820 0.172 0.000 2.425 72 A HA 0.577 5.169 4.320 0.148 -0.184 0.249 72 A C -1.399 176.300 177.584 0.191 0.000 1.084 72 A CA -0.516 51.612 52.037 0.153 0.000 0.781 72 A CB 1.026 20.090 19.000 0.105 0.000 1.019 72 A HN 0.742 8.981 8.150 0.148 0.000 0.490 73 L N -4.798 116.539 121.223 0.190 0.000 2.892 73 L HA 0.969 5.557 4.340 0.229 -0.111 0.269 73 L C -1.554 175.437 176.870 0.201 0.000 1.058 73 L CA -1.223 53.758 54.840 0.235 0.000 0.923 73 L CB 3.553 45.785 42.059 0.290 0.000 1.518 73 L HN 0.281 8.610 8.230 0.164 0.000 0.402 74 G N -4.006 104.944 108.800 0.251 0.000 2.632 74 G HA2 0.731 4.865 3.960 0.038 0.000 0.292 74 G HA3 0.731 4.742 3.960 0.084 0.000 0.292 74 G C -3.390 171.702 174.900 0.321 0.000 1.465 74 G CA 0.826 46.022 45.100 0.160 0.000 0.824 74 G HN -0.118 8.353 8.290 0.302 0.000 0.509 75 W N -3.441 117.914 121.300 0.091 0.000 3.066 75 W HA 0.666 5.455 4.660 0.057 -0.095 0.330 75 W C -3.143 173.455 176.519 0.132 0.000 1.253 75 W CA -1.484 55.901 57.345 0.068 0.000 1.187 75 W CB 2.087 31.542 29.460 -0.008 0.000 1.434 75 W HN 0.437 8.495 8.180 -0.203 0.000 0.572 76 T N 1.090 115.807 114.554 0.271 0.000 2.893 76 T HA 0.879 5.466 4.350 0.074 -0.193 0.291 76 T C -1.467 173.311 174.700 0.129 0.000 1.028 76 T CA -0.534 61.645 62.100 0.131 0.000 0.995 76 T CB 3.103 71.993 68.868 0.038 0.000 1.051 76 T HN 0.652 9.087 8.240 0.325 0.000 0.470 77 V N 3.879 123.765 119.914 -0.047 0.000 2.623 77 V HA 0.327 4.463 4.120 -0.205 -0.139 0.304 77 V C -2.372 173.366 176.094 -0.593 0.000 1.054 77 V CA -1.191 60.898 62.300 -0.352 0.000 0.882 77 V CB 3.904 35.291 31.823 -0.726 0.000 1.002 77 V HN 0.531 8.667 8.190 -0.090 0.000 0.424 78 A N 5.258 127.822 122.820 -0.428 0.000 2.276 78 A HA 0.552 4.824 4.320 -0.265 -0.111 0.316 78 A C -0.087 177.292 177.584 -0.341 0.000 1.229 78 A CA -1.737 50.134 52.037 -0.277 0.000 0.851 78 A CB 1.618 20.571 19.000 -0.079 0.000 1.165 78 A HN 0.696 8.675 8.150 -0.285 0.000 0.513 79 W N 5.351 126.607 121.300 -0.074 0.000 1.435 79 W HA -0.114 4.288 4.660 -0.430 0.000 0.471 79 W C -1.355 175.223 176.519 0.099 0.000 0.590 79 W CA -1.156 56.082 57.345 -0.179 0.000 2.419 79 W CB -0.935 28.341 29.460 -0.307 0.000 1.251 79 W HN 0.635 8.778 8.180 -0.061 0.000 0.338 80 K N 1.210 121.834 120.400 0.374 0.000 2.471 80 K HA 0.719 5.416 4.320 0.285 -0.206 0.252 80 K C -1.642 175.112 176.600 0.256 0.000 0.938 80 K CA -1.217 55.238 56.287 0.279 0.000 0.796 80 K CB 3.024 35.589 32.500 0.109 0.000 1.161 80 K HN -0.182 8.155 8.250 0.294 0.089 0.425 81 N N 5.301 124.073 118.700 0.120 0.000 3.479 81 N HA 0.255 4.956 4.740 -0.064 0.000 0.336 81 N C -0.685 174.731 175.510 -0.156 0.000 1.623 81 N CA -1.289 51.704 53.050 -0.095 0.000 0.759 81 N CB 0.796 39.051 38.487 -0.387 0.000 2.016 81 N HN 0.722 9.192 8.380 0.150 0.000 0.637 82 N N -1.540 116.957 118.700 -0.339 0.000 2.515 82 N HA 0.054 4.589 4.740 -0.342 0.000 0.185 82 N C 0.023 175.062 175.510 -0.785 0.000 1.109 82 N CA 2.192 54.893 53.050 -0.581 0.000 0.903 82 N CB 0.254 38.274 38.487 -0.779 0.000 0.969 82 N HN 0.147 8.335 8.380 -0.321 0.000 0.450 83 Y N -2.567 117.712 120.300 -0.035 0.000 2.581 83 Y HA 0.160 4.709 4.550 -0.002 0.000 0.271 83 Y C -0.743 175.171 175.900 0.024 0.000 1.100 83 Y CA 0.716 58.811 58.100 -0.008 0.000 1.281 83 Y CB 1.981 40.430 38.460 -0.019 0.000 1.237 83 Y HN -0.332 8.060 8.280 -0.228 -0.249 0.514 84 R N -1.248 119.348 120.500 0.159 0.000 2.739 84 R HA 0.202 4.606 4.340 0.107 0.000 0.271 84 R C -2.658 173.728 176.300 0.144 0.000 1.010 84 R CA -0.846 55.347 56.100 0.155 0.000 0.897 84 R CB 3.850 34.283 30.300 0.222 0.000 1.236 84 R HN 0.207 8.924 8.270 0.127 -0.371 0.466 85 N N 1.875 120.603 118.700 0.046 0.000 2.500 85 N HA 0.388 5.339 4.740 0.043 -0.185 0.291 85 N C -1.265 174.107 175.510 -0.230 0.000 1.092 85 N CA 0.008 53.004 53.050 -0.089 0.000 0.890 85 N CB 1.813 40.151 38.487 -0.248 0.000 1.466 85 N HN 0.332 8.728 8.380 0.027 0.000 0.507 86 A N 2.297 125.049 122.820 -0.113 0.000 2.308 86 A HA 0.135 4.407 4.320 -0.080 0.000 0.217 86 A C 0.129 177.689 177.584 -0.040 0.000 1.216 86 A CA -0.267 51.721 52.037 -0.082 0.000 0.864 86 A CB 0.957 19.933 19.000 -0.040 0.000 0.902 86 A HN 0.754 8.922 8.150 0.029 0.000 0.499 87 H N -1.739 117.386 119.070 0.091 0.000 2.677 87 H HA -0.369 4.229 4.556 0.070 0.000 0.321 87 H C -1.849 173.514 175.328 0.059 0.000 1.171 87 H CA 1.154 57.240 56.048 0.064 0.000 1.139 87 H CB -3.013 26.769 29.762 0.035 0.000 1.515 87 H HN 0.080 8.418 8.280 -0.356 -0.271 0.423 88 S N -4.758 111.042 115.700 0.167 0.000 2.625 88 S HA 0.961 5.635 4.470 0.110 -0.139 0.271 88 S C -2.521 172.218 174.600 0.232 0.000 1.161 88 S CA -1.019 57.279 58.200 0.164 0.000 0.820 88 S CB 4.174 67.442 63.200 0.114 0.000 1.137 88 S HN -0.285 8.127 8.310 0.171 0.000 0.470 89 A N -1.369 121.553 122.820 0.169 0.000 2.547 89 A HA 0.796 5.205 4.320 -0.082 -0.138 0.297 89 A C -2.398 175.187 177.584 0.003 0.000 1.056 89 A CA -0.229 51.826 52.037 0.029 0.000 0.688 89 A CB 3.887 22.864 19.000 -0.039 0.000 1.282 89 A HN 0.741 8.960 8.150 0.115 0.000 0.400 90 T N 4.438 118.924 114.554 -0.114 0.000 2.863 90 T HA 1.018 5.436 4.350 -0.254 -0.221 0.285 90 T C -0.654 173.790 174.700 -0.426 0.000 1.009 90 T CA -1.358 60.543 62.100 -0.332 0.000 0.989 90 T CB 2.696 71.179 68.868 -0.641 0.000 1.004 90 T HN 0.813 8.902 8.240 -0.252 0.000 0.455 91 T N 1.647 115.944 114.554 -0.430 0.000 2.861 91 T HA 0.767 5.186 4.350 -0.202 -0.191 0.287 91 T C -1.671 172.778 174.700 -0.417 0.000 1.003 91 T CA -1.718 60.206 62.100 -0.293 0.000 0.977 91 T CB 2.317 71.096 68.868 -0.149 0.000 0.996 91 T HN 0.636 8.646 8.240 -0.383 0.000 0.448 92 W N 4.279 125.210 121.300 -0.616 0.000 2.529 92 W HA 0.446 5.095 4.660 -0.272 -0.153 0.321 92 W C -1.408 174.784 176.519 -0.544 0.000 1.047 92 W CA -1.457 55.485 57.345 -0.672 0.000 1.216 92 W CB 3.262 31.826 29.460 -1.495 0.000 1.357 92 W HN 0.808 8.797 8.180 -0.318 0.000 0.489 93 S N 2.176 117.825 115.700 -0.085 0.000 2.519 93 S HA 0.741 5.325 4.470 -0.031 -0.133 0.309 93 S C -1.000 173.617 174.600 0.027 0.000 1.100 93 S CA -1.597 56.584 58.200 -0.031 0.000 1.059 93 S CB 1.505 64.692 63.200 -0.021 0.000 1.008 93 S HN 0.661 8.955 8.310 -0.027 0.000 0.478 94 G N 4.328 113.168 108.800 0.066 0.000 2.500 94 G HA2 0.631 4.646 3.960 0.093 0.000 0.299 94 G HA3 0.631 4.822 3.960 0.140 -0.147 0.299 94 G C -3.273 171.708 174.900 0.134 0.000 1.242 94 G CA 0.744 45.910 45.100 0.110 0.000 0.859 94 G HN 0.563 8.897 8.290 0.074 0.000 0.481 95 Q N -3.297 116.593 119.800 0.150 0.000 2.416 95 Q HA 0.850 5.496 4.340 0.185 -0.195 0.281 95 Q C -2.198 173.915 176.000 0.188 0.000 1.067 95 Q CA -1.850 54.050 55.803 0.162 0.000 0.809 95 Q CB 4.877 33.685 28.738 0.117 0.000 1.418 95 Q HN 0.076 8.439 8.270 0.154 0.000 0.411 96 Y N 3.228 123.579 120.300 0.086 0.000 2.342 96 Y HA 0.506 5.241 4.550 0.062 -0.148 0.334 96 Y C -2.355 173.609 175.900 0.107 0.000 1.067 96 Y CA -1.678 56.467 58.100 0.075 0.000 1.128 96 Y CB 2.613 41.100 38.460 0.045 0.000 1.200 96 Y HN 0.777 9.127 8.280 0.305 0.113 0.464 97 V N 7.782 127.320 119.914 -0.626 0.000 2.409 97 V HA 0.301 4.202 4.120 -0.366 0.000 0.290 97 V C -1.231 174.388 176.094 -0.791 0.000 1.017 97 V CA -1.138 60.872 62.300 -0.483 0.000 0.841 97 V CB 2.811 34.537 31.823 -0.162 0.000 1.003 97 V HN 0.510 8.388 8.190 -0.521 0.000 0.426 98 G N 4.402 112.744 108.800 -0.764 0.000 2.535 98 G HA2 0.631 4.407 3.960 -0.306 0.000 0.303 98 G HA3 0.631 4.565 3.960 -0.044 0.000 0.303 98 G C -0.901 173.957 174.900 -0.071 0.000 1.237 98 G CA -1.380 43.519 45.100 -0.334 0.000 0.986 98 G HN 0.240 8.212 8.290 -0.531 0.000 0.494 99 G N -2.150 106.669 108.800 0.032 0.000 2.278 99 G HA2 -0.196 3.785 3.960 0.036 0.000 0.265 99 G HA3 -0.196 3.769 3.960 0.009 0.000 0.265 99 G C -0.812 174.108 174.900 0.033 0.000 1.329 99 G CA -0.415 44.701 45.100 0.027 0.000 1.017 99 G HN -0.213 8.135 8.290 0.096 0.000 0.472 100 A N -0.457 122.377 122.820 0.022 0.000 1.898 100 A HA -0.078 4.251 4.320 0.014 0.000 0.216 100 A C 0.473 178.067 177.584 0.017 0.000 1.181 100 A CA 1.523 53.569 52.037 0.016 0.000 0.620 100 A CB 0.158 19.166 19.000 0.013 0.000 0.819 100 A HN 0.117 8.278 8.150 0.019 0.000 0.442 101 E N -0.785 119.430 120.200 0.025 0.000 2.256 101 E HA 0.120 4.489 4.350 0.032 0.000 0.243 101 E C -2.081 174.555 176.600 0.060 0.000 0.925 101 E CA -1.120 55.304 56.400 0.039 0.000 0.748 101 E CB 0.094 29.819 29.700 0.041 0.000 1.206 101 E HN -0.016 8.353 8.360 0.023 0.005 0.428 102 A N 4.562 127.432 122.820 0.083 0.000 2.354 102 A HA 0.246 4.735 4.320 0.025 -0.153 0.269 102 A C -0.921 176.853 177.584 0.317 0.000 1.109 102 A CA -0.399 51.724 52.037 0.143 0.000 0.800 102 A CB 1.840 21.003 19.000 0.272 0.000 1.045 102 A HN 0.268 8.451 8.150 0.055 0.000 0.489 103 R N -1.425 119.251 120.500 0.293 0.000 2.808 103 R HA 0.933 5.855 4.340 0.654 -0.190 0.272 103 R C -1.774 174.703 176.300 0.295 0.000 0.995 103 R CA -2.694 53.649 56.100 0.405 0.000 0.917 103 R CB 4.838 35.280 30.300 0.237 0.000 1.217 103 R HN 0.534 8.851 8.270 0.078 0.000 0.471 104 I N 0.699 121.450 120.570 0.301 0.000 2.439 104 I HA 0.480 4.945 4.170 0.166 -0.196 0.285 104 I C -1.726 174.588 176.117 0.329 0.000 1.021 104 I CA -1.114 60.298 61.300 0.188 0.000 1.091 104 I CB 2.996 40.947 38.000 -0.081 0.000 1.242 104 I HN 0.139 8.610 8.210 0.435 0.000 0.439 105 N N 9.227 128.077 118.700 0.250 0.000 2.424 105 N HA 0.546 5.458 4.740 0.286 0.000 0.271 105 N C -0.716 174.943 175.510 0.248 0.000 0.985 105 N CA -0.903 52.293 53.050 0.243 0.000 0.921 105 N CB 2.155 40.733 38.487 0.152 0.000 1.149 105 N HN 0.431 8.928 8.380 0.194 0.000 0.492 106 T N -0.196 114.546 114.554 0.313 0.000 2.865 106 T HA 0.744 5.341 4.350 0.188 -0.135 0.294 106 T C -1.194 173.654 174.700 0.246 0.000 1.119 106 T CA -1.974 60.297 62.100 0.285 0.000 1.007 106 T CB 3.280 72.398 68.868 0.418 0.000 1.225 106 T HN 0.676 9.131 8.240 0.359 0.000 0.515 107 Q N -0.490 119.396 119.800 0.143 0.000 2.397 107 Q HA 0.749 5.205 4.340 -0.071 -0.158 0.275 107 Q C -1.676 174.305 176.000 -0.031 0.000 1.090 107 Q CA -0.949 54.841 55.803 -0.021 0.000 0.809 107 Q CB 4.942 33.640 28.738 -0.067 0.000 1.362 107 Q HN 0.187 8.530 8.270 0.121 0.000 0.431 108 W N -1.617 119.575 121.300 -0.179 0.000 3.029 108 W HA 0.982 5.540 4.660 -0.411 -0.145 0.339 108 W C -2.972 173.356 176.519 -0.317 0.000 1.198 108 W CA -2.861 54.236 57.345 -0.412 0.000 1.148 108 W CB 3.450 32.388 29.460 -0.870 0.000 1.451 108 W HN 0.986 8.635 8.180 -0.705 0.108 0.564 109 L N -0.615 120.652 121.223 0.075 0.000 2.381 109 L HA 0.770 5.354 4.340 0.061 -0.208 0.274 109 L C -1.829 175.073 176.870 0.052 0.000 0.988 109 L CA -1.209 53.663 54.840 0.053 0.000 0.824 109 L CB 2.844 44.879 42.059 -0.041 0.000 1.263 109 L HN 0.477 8.669 8.230 -0.065 0.000 0.410 110 L N 5.654 126.953 121.223 0.127 0.000 2.316 110 L HA 0.720 5.204 4.340 -0.066 -0.184 0.280 110 L C -1.719 175.155 176.870 0.006 0.000 1.006 110 L CA -1.503 53.341 54.840 0.006 0.000 0.836 110 L CB 2.870 44.904 42.059 -0.041 0.000 1.221 110 L HN 0.808 9.157 8.230 0.198 0.000 0.418 111 T N 9.094 123.644 114.554 -0.007 0.000 2.797 111 T HA 0.690 5.263 4.350 -0.019 -0.235 0.279 111 T C -0.682 174.021 174.700 0.005 0.000 0.991 111 T CA -0.875 61.219 62.100 -0.009 0.000 0.979 111 T CB 2.077 70.938 68.868 -0.011 0.000 0.943 111 T HN 0.757 8.991 8.240 -0.011 0.000 0.444 112 S N 5.786 121.480 115.700 -0.010 0.000 2.565 112 S HA 0.470 5.113 4.470 0.036 -0.151 0.290 112 S C -0.107 174.495 174.600 0.003 0.000 1.150 112 S CA -0.131 58.072 58.200 0.004 0.000 1.058 112 S CB 2.025 65.210 63.200 -0.024 0.000 1.032 112 S HN 0.162 8.454 8.310 -0.030 0.000 0.510 113 G N 1.639 110.457 108.800 0.030 0.000 2.403 113 G HA2 0.026 3.987 3.960 0.002 0.000 0.259 113 G HA3 0.026 3.995 3.960 0.015 0.000 0.259 113 G C -1.290 173.598 174.900 -0.021 0.000 1.244 113 G CA 0.376 45.481 45.100 0.007 0.000 0.849 113 G HN 0.355 8.687 8.290 0.069 0.000 0.532 114 T N 0.191 114.725 114.554 -0.032 0.000 2.812 114 T HA 0.190 4.511 4.350 -0.047 0.000 0.294 114 T C -0.803 173.878 174.700 -0.031 0.000 1.159 114 T CA -1.638 60.435 62.100 -0.045 0.000 1.008 114 T CB 2.544 71.369 68.868 -0.071 0.000 1.289 114 T HN -0.263 7.961 8.240 -0.025 0.000 0.514 115 T N -2.472 112.066 114.554 -0.026 0.000 2.816 115 T HA 0.133 4.477 4.350 -0.011 0.000 0.282 115 T C 1.090 175.793 174.700 0.006 0.000 0.993 115 T CA -1.218 60.877 62.100 -0.009 0.000 0.994 115 T CB 1.037 69.904 68.868 -0.002 0.000 1.025 115 T HN -0.149 8.072 8.240 -0.031 0.000 0.529 116 E N 1.644 121.854 120.200 0.018 0.000 2.097 116 E HA -0.464 3.905 4.350 0.032 0.000 0.196 116 E C 2.159 178.800 176.600 0.068 0.000 1.000 116 E CA 3.269 59.690 56.400 0.035 0.000 0.804 116 E CB -0.318 29.400 29.700 0.030 0.000 0.740 116 E HN 0.490 8.858 8.360 0.012 0.000 0.454 117 A N -1.679 121.182 122.820 0.070 0.000 1.978 117 A HA -0.182 4.215 4.320 0.129 0.000 0.220 117 A C 0.965 178.661 177.584 0.186 0.000 1.170 117 A CA 2.496 54.604 52.037 0.117 0.000 0.636 117 A CB -0.700 18.353 19.000 0.089 0.000 0.810 117 A HN 0.284 8.454 8.150 0.048 0.008 0.448 118 N N -3.687 115.060 118.700 0.078 0.000 2.230 118 N HA 0.111 4.847 4.740 -0.006 0.000 0.202 118 N C 0.860 176.268 175.510 -0.169 0.000 1.119 118 N CA -0.300 52.721 53.050 -0.048 0.000 0.851 118 N CB 0.365 38.790 38.487 -0.103 0.000 0.990 118 N HN -0.567 7.712 8.380 0.040 0.125 0.497 119 A N 1.293 124.106 122.820 -0.012 0.000 1.978 119 A HA -0.138 4.145 4.320 -0.061 0.000 0.220 119 A C 1.799 179.373 177.584 -0.017 0.000 1.170 119 A CA 3.049 55.075 52.037 -0.018 0.000 0.636 119 A CB -0.489 18.538 19.000 0.044 0.000 0.810 119 A HN -0.261 7.727 8.150 0.063 0.199 0.448 120 W N -5.047 116.250 121.300 -0.005 0.000 2.364 120 W HA -0.236 4.419 4.660 -0.008 0.000 0.281 120 W C -0.216 176.298 176.519 -0.007 0.000 1.219 120 W CA 0.705 58.045 57.345 -0.007 0.000 1.220 120 W CB -0.996 28.459 29.460 -0.007 0.000 1.127 120 W HN -0.052 8.287 8.180 0.302 0.023 0.556 121 K N -2.334 117.599 120.400 -0.778 0.000 2.699 121 K HA 0.322 4.362 4.320 -0.468 0.000 0.210 121 K C -0.089 176.277 176.600 -0.390 0.000 1.076 121 K CA -0.649 55.186 56.287 -0.753 0.000 1.109 121 K CB -0.155 31.524 32.500 -1.369 0.000 0.862 121 K HN -0.728 6.906 8.250 -0.964 0.037 0.470 122 S N -0.020 115.540 115.700 -0.234 0.000 2.470 122 S HA -0.049 4.327 4.470 -0.157 0.000 0.225 122 S C -0.540 174.007 174.600 -0.088 0.000 1.006 122 S CA 1.436 59.552 58.200 -0.141 0.000 0.934 122 S CB 0.955 64.102 63.200 -0.087 0.000 0.778 122 S HN -0.318 7.810 8.310 -0.189 0.069 0.517 123 T N 4.404 118.914 114.554 -0.074 0.000 2.792 123 T HA 0.606 5.182 4.350 -0.025 -0.240 0.280 123 T C -0.352 174.330 174.700 -0.028 0.000 0.990 123 T CA 0.265 62.342 62.100 -0.038 0.000 0.960 123 T CB 2.031 70.883 68.868 -0.027 0.000 0.939 123 T HN -0.720 7.469 8.240 -0.084 0.000 0.439 124 L N 6.342 127.574 121.223 0.014 0.000 2.360 124 L HA 0.474 4.801 4.340 -0.021 0.000 0.271 124 L C -1.417 175.445 176.870 -0.012 0.000 1.057 124 L CA -0.686 54.175 54.840 0.034 0.000 0.803 124 L CB 2.461 44.613 42.059 0.155 0.000 1.207 124 L HN 0.703 8.955 8.230 0.037 0.000 0.445 125 V N 0.506 120.284 119.914 -0.227 0.000 2.789 125 V HA 1.019 5.066 4.120 -0.501 -0.228 0.311 125 V C -1.429 174.076 176.094 -0.980 0.000 1.073 125 V CA -2.515 59.484 62.300 -0.502 0.000 0.921 125 V CB 3.607 35.260 31.823 -0.284 0.000 1.009 125 V HN 0.033 8.105 8.190 -0.197 0.000 0.426 126 G N 5.157 112.962 108.800 -1.659 0.000 2.634 126 G HA2 0.281 3.739 3.960 -0.836 0.000 0.309 126 G HA3 0.281 2.888 3.960 -2.255 0.000 0.309 126 G C -3.353 170.776 174.900 -1.285 0.000 1.299 126 G CA 0.288 44.406 45.100 -1.638 0.000 0.798 126 G HN 0.090 7.442 8.290 -1.563 0.000 0.490 127 H N -4.086 114.597 119.070 -0.645 0.000 2.974 127 H HA 0.434 4.955 4.556 -0.200 -0.085 0.366 127 H C -1.872 173.576 175.328 0.200 0.000 1.155 127 H CA -1.418 54.522 56.048 -0.179 0.000 1.186 127 H CB 3.466 33.161 29.762 -0.111 0.000 1.799 127 H HN 0.048 7.781 8.280 -0.912 0.000 0.541 128 D N 1.623 122.287 120.400 0.441 0.000 2.671 128 D HA 0.320 5.213 4.640 0.193 -0.137 0.232 128 D C -1.509 174.919 176.300 0.213 0.000 1.114 128 D CA -0.439 53.747 54.000 0.309 0.000 0.858 128 D CB 4.643 45.659 40.800 0.360 0.000 1.544 128 D HN 0.051 8.716 8.370 0.492 0.000 0.471 129 T N 3.639 118.208 114.554 0.024 0.000 2.812 129 T HA 0.637 5.303 4.350 0.270 -0.154 0.282 129 T C -1.120 173.565 174.700 -0.024 0.000 0.990 129 T CA -0.296 61.877 62.100 0.123 0.000 0.960 129 T CB 1.757 70.711 68.868 0.144 0.000 0.948 129 T HN 0.483 9.025 8.240 -0.053 -0.334 0.438 130 F N 6.274 126.395 119.950 0.286 0.000 2.469 130 F HA 0.610 5.555 4.527 0.364 -0.200 0.332 130 F C 0.044 176.151 175.800 0.513 0.000 1.103 130 F CA -1.501 56.727 58.000 0.380 0.000 0.979 130 F CB 3.276 42.475 39.000 0.331 0.000 1.137 130 F HN 0.915 9.553 8.300 0.565 0.000 0.463 131 T N 4.522 119.469 114.554 0.654 0.000 2.829 131 T HA 0.395 5.027 4.350 0.471 0.000 0.280 131 T C -1.216 173.682 174.700 0.330 0.000 0.999 131 T CA -0.460 61.914 62.100 0.457 0.000 0.983 131 T CB 2.270 71.299 68.868 0.268 0.000 0.968 131 T HN 0.851 9.447 8.240 0.594 0.000 0.446 132 K N 7.197 127.532 120.400 -0.108 0.000 2.174 132 K HA 0.264 4.135 4.320 -0.974 -0.136 0.275 132 K C -0.799 175.610 176.600 -0.317 0.000 1.015 132 K CA -0.331 55.500 56.287 -0.760 0.000 0.933 132 K CB 1.375 33.062 32.500 -1.356 0.000 1.025 132 K HN -0.258 7.986 8.250 -0.011 0.000 0.463 133 V N 5.021 124.759 119.914 -0.295 0.000 2.834 133 V HA 0.169 4.255 4.120 -0.058 0.000 0.313 133 V C -1.447 174.546 176.094 -0.168 0.000 1.060 133 V CA -2.311 59.924 62.300 -0.108 0.000 0.989 133 V CB 2.503 34.370 31.823 0.072 0.000 1.041 133 V HN 0.500 8.422 8.190 -0.446 0.000 0.459 134 K N 0.000 120.342 120.400 -0.097 0.000 2.780 134 K HA 0.000 4.248 4.320 -0.121 0.000 0.191 134 K CA 0.000 56.232 56.287 -0.092 0.000 0.838 134 K CB 0.000 32.463 32.500 -0.061 0.000 1.064 134 K HN 0.000 8.215 8.250 -0.059 0.000 0.543