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 2izb_1_A 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 4.004 4.320 -0.526 0.000 0.244 13 A C 0.000 177.432 177.584 -0.254 0.000 1.274 13 A CA 0.000 51.949 52.037 -0.146 0.000 0.836 13 A CB 0.000 19.037 19.000 0.061 0.000 0.831 14 E N -0.251 119.722 120.200 -0.379 0.000 3.964 14 E HA -0.585 3.334 4.350 -0.719 0.000 0.257 14 E C 0.977 177.417 176.600 -0.267 0.000 1.307 14 E CA 3.406 59.581 56.400 -0.375 0.000 2.046 14 E CB -0.513 29.169 29.700 -0.030 0.000 1.811 14 E HN 0.467 8.543 8.360 -0.474 0.000 0.270 15 A N 0.170 122.909 122.820 -0.136 0.000 1.873 15 A HA -0.269 3.991 4.320 -0.099 0.000 0.218 15 A C 1.656 179.173 177.584 -0.112 0.000 1.193 15 A CA 2.416 54.395 52.037 -0.098 0.000 0.629 15 A CB -0.637 18.338 19.000 -0.042 0.000 0.826 15 A HN -0.152 7.948 8.150 -0.082 0.000 0.447 16 G N -3.843 104.896 108.800 -0.101 0.000 2.509 16 G HA2 -0.136 3.839 3.960 0.025 0.000 0.218 16 G HA3 -0.136 3.896 3.960 0.120 0.000 0.218 16 G C 1.051 175.892 174.900 -0.098 0.000 1.124 16 G CA 0.855 45.944 45.100 -0.019 0.000 0.776 16 G HN -0.019 8.152 8.290 -0.092 0.064 0.547 17 I N 1.309 121.660 120.570 -0.365 0.000 2.585 17 I HA -0.191 3.945 4.170 -0.058 0.000 0.254 17 I C -0.108 175.974 176.117 -0.058 0.000 1.129 17 I CA 1.565 62.686 61.300 -0.298 0.000 1.455 17 I CB 0.502 38.120 38.000 -0.638 0.000 1.111 17 I HN -0.612 7.169 8.210 -0.418 0.178 0.433 18 T N 2.029 116.480 114.554 -0.171 0.000 2.934 18 T HA -0.278 4.148 4.350 -0.189 -0.189 0.306 18 T C 0.375 174.974 174.700 -0.168 0.000 1.042 18 T CA 3.292 65.293 62.100 -0.164 0.000 1.145 18 T CB 0.077 68.851 68.868 -0.157 0.000 0.982 18 T HN -0.357 7.750 8.240 -0.222 0.000 0.544 19 G N 7.037 115.701 108.800 -0.227 0.000 2.315 19 G HA2 -0.172 3.622 3.960 -0.277 0.000 0.296 19 G HA3 -0.172 3.553 3.960 -0.393 0.000 0.296 19 G C -2.978 171.643 174.900 -0.465 0.000 1.289 19 G CA -0.225 44.673 45.100 -0.335 0.000 0.996 19 G HN 0.640 8.792 8.290 -0.229 0.000 0.487 20 T N 2.665 116.868 114.554 -0.585 0.000 2.829 20 T HA 0.681 4.844 4.350 -0.598 -0.172 0.282 20 T C -0.691 173.454 174.700 -0.926 0.000 0.990 20 T CA 0.254 61.958 62.100 -0.660 0.000 1.028 20 T CB 1.447 70.020 68.868 -0.491 0.000 0.951 20 T HN 0.040 7.961 8.240 -0.532 0.000 0.460 21 W N 4.582 125.417 121.300 -0.774 0.000 2.844 21 W HA 0.327 4.997 4.660 -0.242 -0.155 0.340 21 W C -1.702 174.602 176.519 -0.358 0.000 1.093 21 W CA -1.283 55.805 57.345 -0.428 0.000 1.212 21 W CB 4.033 33.292 29.460 -0.335 0.000 1.422 21 W HN 0.763 8.568 8.180 -0.625 0.000 0.515 22 Y N -1.362 119.261 120.300 0.538 0.000 2.499 22 Y HA 0.821 5.779 4.550 0.364 -0.189 0.347 22 Y C -0.928 175.211 175.900 0.398 0.000 0.987 22 Y CA -2.001 56.333 58.100 0.391 0.000 1.044 22 Y CB 3.248 41.818 38.460 0.182 0.000 1.245 22 Y HN 0.995 9.639 8.280 0.607 0.000 0.461 23 N N -0.118 118.783 118.700 0.334 0.000 2.619 23 N HA 0.680 5.576 4.740 -0.061 -0.192 0.294 23 N C 1.818 177.363 175.510 0.059 0.000 1.279 23 N CA -2.934 50.091 53.050 -0.042 0.000 0.867 23 N CB 1.727 39.922 38.487 -0.488 0.000 1.329 23 N HN -0.191 8.399 8.380 0.350 0.000 0.557 24 Q N -1.405 118.400 119.800 0.008 0.000 2.181 24 Q HA -0.197 4.179 4.340 0.059 0.000 0.205 24 Q C 1.135 177.166 176.000 0.051 0.000 0.980 24 Q CA 2.837 58.666 55.803 0.044 0.000 0.862 24 Q CB -0.185 28.578 28.738 0.041 0.000 0.905 24 Q HN 0.403 8.638 8.270 -0.058 0.000 0.429 25 L N -4.326 116.929 121.223 0.053 0.000 2.612 25 L HA 0.120 4.489 4.340 0.049 0.000 0.230 25 L C 0.531 177.447 176.870 0.077 0.000 1.140 25 L CA -0.373 54.503 54.840 0.060 0.000 0.896 25 L CB -0.226 41.870 42.059 0.061 0.000 1.065 25 L HN -0.805 7.552 8.230 0.041 -0.102 0.447 26 G N -1.974 106.885 108.800 0.098 0.000 2.141 26 G HA2 -0.389 3.644 3.960 0.121 0.000 0.242 26 G HA3 -0.389 3.622 3.960 0.086 0.000 0.242 26 G C 0.011 175.000 174.900 0.148 0.000 0.982 26 G CA 0.079 45.247 45.100 0.114 0.000 0.662 26 G HN -0.424 7.893 8.290 0.102 0.034 0.527 27 S N 1.298 117.100 115.700 0.170 0.000 2.672 27 S HA 0.497 5.111 4.470 0.116 -0.074 0.276 27 S C -0.872 173.796 174.600 0.114 0.000 1.207 27 S CA 0.247 58.530 58.200 0.138 0.000 1.002 27 S CB 2.011 65.346 63.200 0.224 0.000 0.998 27 S HN -0.176 8.580 8.310 0.170 -0.344 0.542 28 T N 2.652 117.157 114.554 -0.081 0.000 2.909 28 T HA 0.961 5.508 4.350 0.002 -0.197 0.299 28 T C -1.739 172.809 174.700 -0.253 0.000 1.073 28 T CA -0.522 61.517 62.100 -0.102 0.000 0.999 28 T CB 3.349 72.175 68.868 -0.069 0.000 1.098 28 T HN 0.673 8.801 8.240 -0.186 0.000 0.477 29 F N 1.603 121.285 119.950 -0.447 0.000 2.601 29 F HA 0.956 5.402 4.527 -0.382 -0.148 0.309 29 F C -3.268 172.344 175.800 -0.313 0.000 1.089 29 F CA -2.348 55.388 58.000 -0.441 0.000 0.940 29 F CB 3.538 42.196 39.000 -0.570 0.000 1.273 29 F HN 0.698 8.929 8.300 -0.116 0.000 0.450 30 I N 1.364 121.719 120.570 -0.359 0.000 2.406 30 I HA 0.653 4.706 4.170 -0.505 -0.187 0.290 30 I C -1.937 173.951 176.117 -0.381 0.000 0.999 30 I CA -1.032 60.029 61.300 -0.398 0.000 1.124 30 I CB 2.379 40.237 38.000 -0.238 0.000 1.289 30 I HN 0.555 8.656 8.210 -0.181 0.000 0.441 31 V N 7.847 127.500 119.914 -0.434 0.000 3.007 31 V HA 0.738 4.867 4.120 -0.250 -0.159 0.311 31 V C -2.267 173.680 176.094 -0.244 0.000 1.120 31 V CA -2.695 59.402 62.300 -0.338 0.000 0.980 31 V CB 5.373 36.907 31.823 -0.483 0.000 1.033 31 V HN 0.857 8.779 8.190 -0.448 0.000 0.429 32 T N 9.085 123.529 114.554 -0.183 0.000 2.812 32 T HA 0.271 4.528 4.350 -0.156 0.000 0.282 32 T C -2.113 172.507 174.700 -0.134 0.000 0.990 32 T CA -0.630 61.385 62.100 -0.143 0.000 0.960 32 T CB 1.674 70.485 68.868 -0.096 0.000 0.948 32 T HN 0.344 8.485 8.240 -0.164 0.000 0.438 33 A N 7.832 130.548 122.820 -0.173 0.000 2.249 33 A HA 0.796 5.240 4.320 -0.115 -0.194 0.314 33 A C -0.729 176.848 177.584 -0.012 0.000 1.290 33 A CA -2.041 49.876 52.037 -0.201 0.000 0.893 33 A CB 1.240 19.879 19.000 -0.601 0.000 1.165 33 A HN 0.332 8.372 8.150 -0.184 0.000 0.530 34 G N 1.518 110.396 108.800 0.130 0.000 2.476 34 G HA2 0.156 4.150 3.960 0.056 0.000 0.269 34 G HA3 0.156 4.172 3.960 0.094 0.000 0.269 34 G C 0.158 175.165 174.900 0.178 0.000 1.195 34 G CA -1.159 44.010 45.100 0.115 0.000 0.843 34 G HN 0.686 8.964 8.290 0.179 0.119 0.545 35 A N 3.318 126.196 122.820 0.097 0.000 1.927 35 A HA -0.254 4.369 4.320 0.108 -0.238 0.220 35 A C 0.005 177.614 177.584 0.041 0.000 1.185 35 A CA 2.483 54.567 52.037 0.079 0.000 0.639 35 A CB -0.603 18.419 19.000 0.036 0.000 0.820 35 A HN 0.618 8.804 8.150 0.061 0.000 0.451 36 D N -1.841 118.566 120.400 0.012 0.000 2.894 36 D HA -0.038 4.560 4.640 -0.069 0.000 0.248 36 D C -0.237 175.987 176.300 -0.128 0.000 1.291 36 D CA -0.353 53.616 54.000 -0.052 0.000 0.840 36 D CB -0.437 40.345 40.800 -0.030 0.000 1.044 36 D HN -0.285 8.090 8.370 0.030 0.014 0.484 37 G N -1.511 107.131 108.800 -0.263 0.000 2.159 37 G HA2 -0.464 2.547 3.960 -1.582 0.000 0.256 37 G HA3 -0.464 3.232 3.960 -0.440 0.000 0.256 37 G C -1.747 173.087 174.900 -0.110 0.000 0.977 37 G CA 0.415 45.177 45.100 -0.564 0.000 0.652 37 G HN -0.301 7.792 8.290 -0.185 0.087 0.531 38 A N -0.460 122.424 122.820 0.106 0.000 2.293 38 A HA 0.500 5.002 4.320 0.113 -0.114 0.302 38 A C -1.623 176.093 177.584 0.220 0.000 1.119 38 A CA -1.349 50.775 52.037 0.144 0.000 0.823 38 A CB 2.386 21.433 19.000 0.078 0.000 1.097 38 A HN -0.803 7.363 8.150 0.101 0.044 0.491 39 L N 1.189 122.498 121.223 0.144 0.000 2.409 39 L HA 0.981 5.558 4.340 0.009 -0.232 0.272 39 L C -0.507 176.375 176.870 0.020 0.000 0.980 39 L CA -1.403 53.473 54.840 0.060 0.000 0.826 39 L CB 2.934 45.027 42.059 0.057 0.000 1.268 39 L HN 0.018 8.323 8.230 0.124 0.000 0.407 40 T N -1.292 113.246 114.554 -0.026 0.000 2.903 40 T HA 0.831 5.329 4.350 -0.005 -0.151 0.299 40 T C -0.674 173.988 174.700 -0.063 0.000 1.093 40 T CA -2.184 59.902 62.100 -0.024 0.000 1.002 40 T CB 3.379 72.240 68.868 -0.012 0.000 1.127 40 T HN 0.253 8.461 8.240 -0.053 0.000 0.488 41 G N -0.212 108.559 108.800 -0.048 0.000 2.360 41 G HA2 0.312 4.232 3.960 -0.067 0.000 0.276 41 G HA3 0.312 4.415 3.960 -0.107 -0.207 0.276 41 G C -2.529 172.362 174.900 -0.016 0.000 1.256 41 G CA 1.012 46.073 45.100 -0.064 0.000 0.890 41 G HN -0.295 7.983 8.290 -0.021 0.000 0.486 42 T N -1.869 112.682 114.554 -0.006 0.000 2.903 42 T HA 0.907 5.495 4.350 0.103 -0.177 0.299 42 T C -2.574 172.205 174.700 0.130 0.000 1.093 42 T CA -1.879 60.263 62.100 0.069 0.000 1.002 42 T CB 3.640 72.532 68.868 0.039 0.000 1.127 42 T HN 0.002 8.212 8.240 -0.050 0.000 0.488 43 Y N 2.470 122.830 120.300 0.099 0.000 2.376 43 Y HA 0.449 5.240 4.550 0.158 -0.146 0.340 43 Y C -2.372 173.696 175.900 0.280 0.000 0.965 43 Y CA -1.848 56.351 58.100 0.165 0.000 1.078 43 Y CB 3.699 42.220 38.460 0.102 0.000 1.193 43 Y HN 0.889 9.359 8.280 0.316 0.000 0.452 44 E N 6.770 127.019 120.200 0.083 0.000 2.185 44 E HA 0.630 5.424 4.350 0.367 -0.224 0.261 44 E C -1.186 175.546 176.600 0.220 0.000 0.879 44 E CA -2.258 54.268 56.400 0.209 0.000 0.756 44 E CB 2.286 32.030 29.700 0.074 0.000 1.152 44 E HN 0.834 9.026 8.360 -0.280 0.000 0.416 45 S N 4.322 120.290 115.700 0.447 0.000 2.669 45 S HA 0.458 5.182 4.470 0.423 0.000 0.270 45 S C -0.456 174.260 174.600 0.195 0.000 1.225 45 S CA -1.271 57.157 58.200 0.380 0.000 0.991 45 S CB 0.725 64.131 63.200 0.344 0.000 0.987 45 S HN -0.393 8.257 8.310 0.566 0.000 0.552 46 A N 2.205 125.113 122.820 0.147 0.000 2.066 46 A HA 0.304 4.671 4.320 0.079 0.000 0.198 46 A C -0.836 176.770 177.584 0.035 0.000 1.405 46 A CA 0.533 52.621 52.037 0.085 0.000 0.973 46 A CB 1.537 20.591 19.000 0.089 0.000 1.026 46 A HN 0.020 8.276 8.150 0.177 0.000 0.474 47 V N -4.714 115.201 119.914 0.002 0.000 3.126 47 V HA 0.417 4.509 4.120 -0.047 0.000 0.314 47 V C -0.325 175.660 176.094 -0.180 0.000 1.138 47 V CA -1.738 60.522 62.300 -0.066 0.000 1.034 47 V CB 2.561 34.349 31.823 -0.059 0.000 1.075 47 V HN -0.639 7.568 8.190 0.030 0.000 0.442 48 G N 1.943 110.628 108.800 -0.191 0.000 2.582 48 G HA2 -0.265 3.540 3.960 -0.258 0.000 0.222 48 G HA3 -0.265 3.409 3.960 -0.477 0.000 0.222 48 G C -0.707 174.058 174.900 -0.225 0.000 1.311 48 G CA -0.200 44.722 45.100 -0.296 0.000 0.915 48 G HN 0.376 8.588 8.290 -0.130 0.000 0.528 49 N N 2.939 121.471 118.700 -0.280 0.000 3.131 49 N HA 0.091 4.781 4.740 -0.083 0.000 0.312 49 N C -1.769 173.643 175.510 -0.163 0.000 1.433 49 N CA -1.072 51.886 53.050 -0.154 0.000 1.141 49 N CB -0.707 37.704 38.487 -0.126 0.000 1.431 49 N HN 0.244 8.379 8.380 -0.408 0.000 0.523 50 A N -1.150 121.586 122.820 -0.139 0.000 2.423 50 A HA 0.316 4.744 4.320 0.180 0.000 0.304 50 A C -2.045 175.670 177.584 0.218 0.000 1.104 50 A CA -1.644 50.412 52.037 0.032 0.000 0.757 50 A CB 3.277 22.129 19.000 -0.246 0.000 1.313 50 A HN -0.567 7.416 8.150 -0.132 0.088 0.423 51 E N 1.397 121.851 120.200 0.423 0.000 2.558 51 E HA 0.234 4.671 4.350 0.145 0.000 0.345 51 E C -1.516 175.137 176.600 0.088 0.000 0.928 51 E CA 0.670 57.189 56.400 0.198 0.000 0.774 51 E CB 2.270 32.045 29.700 0.125 0.000 1.462 51 E HN 0.397 9.250 8.360 0.823 0.000 0.387 52 S N 3.501 119.235 115.700 0.057 0.000 4.019 52 S HA -0.265 4.167 4.470 -0.064 0.000 0.635 52 S C -1.569 173.019 174.600 -0.021 0.000 1.684 52 S CA 0.686 58.836 58.200 -0.083 0.000 2.024 52 S CB -0.067 62.961 63.200 -0.288 0.000 0.327 52 S HN 0.318 8.703 8.310 0.125 0.000 1.588 53 R N 1.761 122.169 120.500 -0.153 0.000 2.428 53 R HA 0.590 5.237 4.340 0.168 -0.207 0.294 53 R C -0.798 175.315 176.300 -0.311 0.000 1.000 53 R CA -0.350 55.716 56.100 -0.057 0.000 0.960 53 R CB 1.798 32.085 30.300 -0.023 0.000 1.076 53 R HN 0.051 8.207 8.270 -0.190 0.000 0.475 54 Y N -0.395 120.005 120.300 0.168 0.000 2.499 54 Y HA 0.205 4.812 4.550 0.095 0.000 0.347 54 Y C -0.658 175.275 175.900 0.056 0.000 0.987 54 Y CA -1.381 56.782 58.100 0.106 0.000 1.044 54 Y CB 2.893 41.391 38.460 0.062 0.000 1.245 54 Y HN 0.540 9.059 8.280 0.397 0.000 0.461 55 V N 2.022 122.033 119.914 0.160 0.000 2.686 55 V HA -0.048 4.235 4.120 0.074 -0.118 0.295 55 V C -0.636 175.497 176.094 0.066 0.000 1.055 55 V CA 1.660 64.011 62.300 0.085 0.000 1.050 55 V CB 0.324 32.178 31.823 0.052 0.000 0.984 55 V HN 0.798 9.086 8.190 0.164 0.000 0.482 56 L N 2.516 123.772 121.223 0.056 0.000 2.388 56 L HA 1.097 5.658 4.340 0.065 -0.182 0.264 56 L C -1.455 175.447 176.870 0.054 0.000 0.998 56 L CA -1.661 53.216 54.840 0.062 0.000 0.817 56 L CB 4.142 46.227 42.059 0.043 0.000 1.338 56 L HN 0.362 8.619 8.230 0.045 0.000 0.414 57 T N 1.236 115.848 114.554 0.097 0.000 2.933 57 T HA 0.710 5.254 4.350 0.064 -0.155 0.305 57 T C -1.228 173.566 174.700 0.158 0.000 1.092 57 T CA -1.391 60.763 62.100 0.090 0.000 1.008 57 T CB 2.352 71.257 68.868 0.061 0.000 1.102 57 T HN -0.051 8.273 8.240 0.139 0.000 0.469 58 G N 3.462 112.354 108.800 0.153 0.000 2.561 58 G HA2 0.640 4.705 3.960 0.173 0.000 0.310 58 G HA3 0.640 4.932 3.960 0.302 -0.150 0.310 58 G C -3.035 171.967 174.900 0.170 0.000 1.292 58 G CA 0.639 45.861 45.100 0.202 0.000 0.811 58 G HN 0.270 8.628 8.290 0.115 0.000 0.482 59 R N -3.622 116.993 120.500 0.191 0.000 2.774 59 R HA 1.142 5.780 4.340 0.181 -0.189 0.272 59 R C -1.648 174.798 176.300 0.244 0.000 1.000 59 R CA -2.401 53.800 56.100 0.169 0.000 0.906 59 R CB 4.887 35.230 30.300 0.071 0.000 1.227 59 R HN 0.123 8.522 8.270 0.215 0.000 0.468 60 Y N -2.970 117.359 120.300 0.048 0.000 2.644 60 Y HA 0.615 5.330 4.550 0.068 -0.124 0.338 60 Y C -2.117 173.804 175.900 0.035 0.000 1.119 60 Y CA -2.570 55.559 58.100 0.047 0.000 1.060 60 Y CB 2.457 40.930 38.460 0.022 0.000 1.294 60 Y HN 0.408 8.667 8.280 -0.035 0.000 0.472 61 D N 0.493 120.908 120.400 0.025 0.000 2.339 61 D HA 0.119 4.669 4.640 -0.150 0.000 0.241 61 D C 0.196 176.412 176.300 -0.140 0.000 1.183 61 D CA -1.383 52.573 54.000 -0.074 0.000 0.859 61 D CB 0.433 41.266 40.800 0.054 0.000 1.067 61 D HN -0.000 8.517 8.370 0.246 0.000 0.484 62 S N 2.868 118.351 115.700 -0.361 0.000 2.754 62 S HA -0.140 4.325 4.470 -0.008 0.000 0.223 62 S C -1.072 173.519 174.600 -0.015 0.000 0.951 62 S CA 0.283 58.352 58.200 -0.217 0.000 0.954 62 S CB -0.478 62.519 63.200 -0.339 0.000 0.780 62 S HN 0.127 8.208 8.310 -0.383 0.000 0.509 63 A N 0.952 123.774 122.820 0.003 0.000 3.277 63 A HA 0.333 4.681 4.320 0.047 0.000 0.281 63 A C -3.346 174.266 177.584 0.048 0.000 1.179 63 A CA -1.838 50.217 52.037 0.029 0.000 0.879 63 A CB 0.438 19.440 19.000 0.003 0.000 1.374 63 A HN -0.344 7.766 8.150 -0.012 0.033 0.590 64 P HA 0.130 4.802 4.420 0.083 -0.202 0.275 64 P C -1.174 176.169 177.300 0.072 0.000 1.270 64 P CA -0.629 62.527 63.100 0.094 0.000 0.791 64 P CB 1.369 33.154 31.700 0.141 0.000 1.089 65 A N -2.637 120.223 122.820 0.068 0.000 2.287 65 A HA -0.054 4.294 4.320 0.045 0.000 0.273 65 A C -0.092 177.526 177.584 0.056 0.000 1.091 65 A CA -0.242 51.826 52.037 0.053 0.000 0.817 65 A CB 1.440 20.468 19.000 0.045 0.000 1.069 65 A HN 0.068 8.263 8.150 0.074 0.000 0.492 66 T N -3.923 110.658 114.554 0.046 0.000 3.284 66 T HA 0.049 4.430 4.350 0.052 0.000 0.249 66 T C -0.799 173.925 174.700 0.039 0.000 0.944 66 T CA -0.949 61.178 62.100 0.044 0.000 0.919 66 T CB -0.602 68.288 68.868 0.037 0.000 1.089 66 T HN 0.181 8.518 8.240 0.039 -0.074 0.576 67 D N -0.664 119.760 120.400 0.040 0.000 2.654 67 D HA 0.210 4.754 4.640 0.030 0.114 0.255 67 D C 0.235 176.557 176.300 0.037 0.000 1.101 67 D CA -2.030 51.991 54.000 0.034 0.000 1.116 67 D CB 1.550 42.368 40.800 0.030 0.000 1.348 67 D HN -0.740 7.902 8.370 0.046 -0.245 0.609 68 G N -2.389 106.429 108.800 0.030 0.000 3.455 68 G HA2 -0.028 3.951 3.960 0.031 0.000 0.250 68 G HA3 -0.028 3.946 3.960 0.023 0.000 0.250 68 G C -0.708 174.210 174.900 0.029 0.000 1.071 68 G CA -0.042 45.075 45.100 0.028 0.000 1.812 68 G HN 0.087 8.393 8.290 0.026 0.000 0.643 69 S N 0.406 116.130 115.700 0.039 0.000 2.722 69 S HA 0.080 4.572 4.470 0.036 0.000 0.292 69 S C -0.574 174.060 174.600 0.056 0.000 1.135 69 S CA 0.135 58.361 58.200 0.044 0.000 1.003 69 S CB 2.820 66.049 63.200 0.049 0.000 1.067 69 S HN -0.221 8.109 8.310 0.045 0.007 0.546 70 G N -0.556 108.281 108.800 0.061 0.000 2.502 70 G HA2 0.324 4.415 3.960 0.066 0.000 0.305 70 G HA3 0.324 4.487 3.960 0.071 -0.161 0.305 70 G C -1.406 173.575 174.900 0.135 0.000 1.190 70 G CA -0.801 44.349 45.100 0.082 0.000 0.933 70 G HN -0.210 8.183 8.290 0.054 -0.070 0.503 71 T N 4.028 118.709 114.554 0.211 0.000 2.749 71 T HA 0.114 4.576 4.350 0.188 0.000 0.287 71 T C -0.715 174.113 174.700 0.213 0.000 0.970 71 T CA 0.560 62.801 62.100 0.235 0.000 0.980 71 T CB 1.281 70.343 68.868 0.323 0.000 0.924 71 T HN 0.229 8.511 8.240 0.249 0.107 0.456 72 A N 8.506 131.426 122.820 0.167 0.000 2.388 72 A HA 0.634 5.227 4.320 0.147 -0.185 0.257 72 A C -1.510 176.186 177.584 0.185 0.000 1.095 72 A CA -0.782 51.345 52.037 0.150 0.000 0.791 72 A CB 1.088 20.150 19.000 0.105 0.000 1.029 72 A HN 0.723 8.960 8.150 0.144 0.000 0.489 73 L N -4.021 117.316 121.223 0.190 0.000 2.720 73 L HA 1.042 5.638 4.340 0.222 -0.123 0.261 73 L C -1.739 175.258 176.870 0.211 0.000 1.046 73 L CA -1.464 53.516 54.840 0.234 0.000 0.886 73 L CB 3.881 46.111 42.059 0.286 0.000 1.493 73 L HN 0.575 8.906 8.230 0.169 0.000 0.407 74 G N -3.683 105.270 108.800 0.255 0.000 2.673 74 G HA2 0.759 4.901 3.960 0.062 0.000 0.292 74 G HA3 0.759 4.773 3.960 0.090 0.000 0.292 74 G C -3.428 171.669 174.900 0.329 0.000 1.450 74 G CA 0.698 45.903 45.100 0.175 0.000 0.837 74 G HN -0.047 8.419 8.290 0.293 0.000 0.505 75 W N -3.195 118.161 121.300 0.093 0.000 3.005 75 W HA 0.721 5.516 4.660 0.045 -0.108 0.343 75 W C -3.061 173.538 176.519 0.134 0.000 1.243 75 W CA -1.715 55.665 57.345 0.058 0.000 1.186 75 W CB 2.179 31.616 29.460 -0.040 0.000 1.453 75 W HN 0.446 8.505 8.180 -0.201 0.000 0.575 76 T N 1.792 116.501 114.554 0.258 0.000 2.876 76 T HA 0.850 5.435 4.350 0.067 -0.194 0.289 76 T C -1.443 173.319 174.700 0.104 0.000 1.014 76 T CA -0.523 61.648 62.100 0.118 0.000 0.986 76 T CB 3.177 72.059 68.868 0.024 0.000 1.021 76 T HN 0.518 8.952 8.240 0.323 0.000 0.458 77 V N 4.440 124.309 119.914 -0.075 0.000 2.577 77 V HA 0.358 4.488 4.120 -0.225 -0.145 0.303 77 V C -2.326 173.355 176.094 -0.687 0.000 1.042 77 V CA -1.857 60.210 62.300 -0.389 0.000 0.872 77 V CB 3.432 34.811 31.823 -0.739 0.000 0.998 77 V HN 0.705 8.826 8.190 -0.115 0.000 0.423 78 A N 6.084 128.619 122.820 -0.475 0.000 2.274 78 A HA 0.479 4.709 4.320 -0.340 -0.114 0.309 78 A C -0.173 177.181 177.584 -0.382 0.000 1.226 78 A CA -1.586 50.250 52.037 -0.335 0.000 0.853 78 A CB 1.681 20.613 19.000 -0.114 0.000 1.146 78 A HN 0.705 8.676 8.150 -0.299 0.000 0.518 79 W N 5.377 126.598 121.300 -0.133 0.000 1.395 79 W HA -0.081 4.192 4.660 -0.644 0.000 0.451 79 W C -1.471 175.081 176.519 0.056 0.000 0.619 79 W CA -1.327 55.860 57.345 -0.264 0.000 2.212 79 W CB -0.718 28.536 29.460 -0.343 0.000 1.537 79 W HN 0.737 8.856 8.180 -0.102 0.000 0.275 80 K N 1.349 121.991 120.400 0.403 0.000 2.507 80 K HA 0.724 5.430 4.320 0.290 -0.212 0.251 80 K C -1.809 174.977 176.600 0.310 0.000 0.943 80 K CA -1.132 55.338 56.287 0.305 0.000 0.794 80 K CB 3.091 35.660 32.500 0.114 0.000 1.188 80 K HN -0.257 8.132 8.250 0.365 0.080 0.428 81 N N 4.472 123.288 118.700 0.193 0.000 3.439 81 N HA 0.237 5.000 4.740 0.038 0.000 0.313 81 N C 0.061 175.593 175.510 0.037 0.000 1.598 81 N CA -1.046 52.026 53.050 0.037 0.000 0.830 81 N CB 0.893 39.254 38.487 -0.209 0.000 1.849 81 N HN 0.811 9.315 8.380 0.208 0.000 0.598 82 N N -1.195 117.509 118.700 0.007 0.000 2.521 82 N HA 0.060 4.712 4.740 -0.147 0.000 0.188 82 N C -0.413 174.824 175.510 -0.455 0.000 1.146 82 N CA 1.870 54.800 53.050 -0.199 0.000 0.893 82 N CB -0.550 37.748 38.487 -0.315 0.000 0.975 82 N HN 0.294 8.706 8.380 0.053 0.000 0.451 83 Y N -3.009 117.285 120.300 -0.010 0.000 2.425 83 Y HA 0.093 4.651 4.550 0.012 0.000 0.261 83 Y C -0.755 175.170 175.900 0.042 0.000 1.084 83 Y CA 0.776 58.882 58.100 0.010 0.000 1.248 83 Y CB 2.271 40.730 38.460 -0.001 0.000 1.270 83 Y HN -0.162 8.487 8.280 0.191 -0.254 0.524 84 R N -1.434 119.186 120.500 0.200 0.000 2.680 84 R HA 0.299 4.720 4.340 0.135 0.000 0.269 84 R C -3.018 173.371 176.300 0.148 0.000 1.026 84 R CA -0.871 55.339 56.100 0.182 0.000 0.889 84 R CB 3.730 34.187 30.300 0.261 0.000 1.241 84 R HN -0.200 8.393 8.270 0.185 -0.212 0.463 85 N N 2.963 121.692 118.700 0.049 0.000 2.640 85 N HA 0.318 5.163 4.740 -0.045 -0.131 0.262 85 N C -0.614 174.708 175.510 -0.315 0.000 1.174 85 N CA -0.059 52.910 53.050 -0.136 0.000 0.791 85 N CB 0.804 39.165 38.487 -0.210 0.000 1.279 85 N HN 0.314 8.727 8.380 0.055 0.000 0.535 86 A N 3.950 126.692 122.820 -0.130 0.000 2.238 86 A HA 0.038 4.378 4.320 0.034 0.000 0.208 86 A C 0.184 177.769 177.584 0.001 0.000 1.177 86 A CA 0.236 52.250 52.037 -0.038 0.000 0.804 86 A CB 0.205 19.200 19.000 -0.008 0.000 0.823 86 A HN 0.841 8.999 8.150 0.012 0.000 0.482 87 H N -2.049 117.074 119.070 0.089 0.000 2.677 87 H HA -0.377 4.218 4.556 0.065 0.000 0.321 87 H C -2.070 173.295 175.328 0.062 0.000 1.171 87 H CA 1.035 57.121 56.048 0.063 0.000 1.139 87 H CB -2.993 26.790 29.762 0.035 0.000 1.515 87 H HN -0.142 7.975 8.280 -0.567 -0.177 0.423 88 S N -5.079 110.707 115.700 0.143 0.000 2.615 88 S HA 0.858 5.511 4.470 0.107 -0.118 0.269 88 S C -2.544 172.180 174.600 0.208 0.000 1.161 88 S CA -0.607 57.689 58.200 0.160 0.000 0.817 88 S CB 4.180 67.460 63.200 0.133 0.000 1.131 88 S HN -0.445 7.939 8.310 0.123 0.000 0.467 89 A N -1.555 121.347 122.820 0.136 0.000 2.549 89 A HA 0.732 5.035 4.320 -0.251 -0.133 0.297 89 A C -2.222 175.332 177.584 -0.050 0.000 1.061 89 A CA -0.350 51.655 52.037 -0.053 0.000 0.690 89 A CB 3.986 22.928 19.000 -0.096 0.000 1.287 89 A HN 0.649 8.861 8.150 0.103 0.000 0.402 90 T N 3.215 117.645 114.554 -0.207 0.000 2.863 90 T HA 0.982 5.358 4.350 -0.265 -0.185 0.285 90 T C -0.735 173.684 174.700 -0.469 0.000 1.009 90 T CA -1.387 60.490 62.100 -0.371 0.000 0.989 90 T CB 2.892 71.388 68.868 -0.621 0.000 1.004 90 T HN 0.793 8.777 8.240 -0.426 0.000 0.455 91 T N 2.321 116.600 114.554 -0.457 0.000 2.841 91 T HA 0.750 5.184 4.350 -0.176 -0.190 0.283 91 T C -1.401 173.056 174.700 -0.406 0.000 1.000 91 T CA -1.816 60.109 62.100 -0.292 0.000 0.977 91 T CB 2.403 71.180 68.868 -0.152 0.000 0.979 91 T HN 0.605 8.601 8.240 -0.407 0.000 0.446 92 W N 4.491 125.422 121.300 -0.614 0.000 2.587 92 W HA 0.514 5.158 4.660 -0.285 -0.154 0.324 92 W C -1.280 174.914 176.519 -0.542 0.000 1.040 92 W CA -1.424 55.517 57.345 -0.674 0.000 1.222 92 W CB 3.599 32.178 29.460 -1.468 0.000 1.381 92 W HN 0.959 8.984 8.180 -0.259 0.000 0.483 93 S N 1.807 117.460 115.700 -0.079 0.000 2.532 93 S HA 0.763 5.350 4.470 -0.024 -0.132 0.299 93 S C -1.012 173.612 174.600 0.041 0.000 1.105 93 S CA -1.607 56.579 58.200 -0.024 0.000 1.018 93 S CB 1.619 64.808 63.200 -0.019 0.000 1.021 93 S HN 0.681 8.978 8.310 -0.020 0.000 0.483 94 G N 4.098 112.947 108.800 0.082 0.000 2.450 94 G HA2 0.552 4.570 3.960 0.097 0.000 0.273 94 G HA3 0.552 4.810 3.960 0.154 -0.206 0.273 94 G C -3.506 171.479 174.900 0.142 0.000 1.221 94 G CA 0.869 46.041 45.100 0.121 0.000 0.900 94 G HN 0.620 8.965 8.290 0.090 0.000 0.483 95 Q N -3.210 116.683 119.800 0.155 0.000 2.418 95 Q HA 0.885 5.517 4.340 0.191 -0.178 0.282 95 Q C -2.536 173.571 176.000 0.178 0.000 1.044 95 Q CA -2.028 53.874 55.803 0.165 0.000 0.813 95 Q CB 4.480 33.291 28.738 0.122 0.000 1.428 95 Q HN 0.007 8.370 8.270 0.156 0.000 0.402 96 Y N 2.707 123.045 120.300 0.063 0.000 2.323 96 Y HA 0.627 5.344 4.550 0.002 -0.166 0.331 96 Y C -2.267 173.676 175.900 0.073 0.000 1.092 96 Y CA -1.667 56.452 58.100 0.032 0.000 1.150 96 Y CB 2.546 41.004 38.460 -0.003 0.000 1.200 96 Y HN 0.725 9.078 8.280 0.305 0.110 0.472 97 V N 7.245 126.757 119.914 -0.670 0.000 2.483 97 V HA 0.317 4.230 4.120 -0.345 0.000 0.297 97 V C -1.035 174.596 176.094 -0.772 0.000 1.027 97 V CA -1.550 60.459 62.300 -0.486 0.000 0.855 97 V CB 3.103 34.821 31.823 -0.175 0.000 0.995 97 V HN 0.486 8.307 8.190 -0.616 0.000 0.424 98 G N 3.645 112.087 108.800 -0.597 0.000 2.531 98 G HA2 0.478 4.269 3.960 -0.282 0.000 0.281 98 G HA3 0.478 4.428 3.960 -0.018 0.000 0.281 98 G C -0.818 174.052 174.900 -0.049 0.000 1.382 98 G CA -1.423 43.527 45.100 -0.250 0.000 1.045 98 G HN 0.268 8.332 8.290 -0.377 0.000 0.533 99 G N -1.818 107.004 108.800 0.037 0.000 2.447 99 G HA2 -0.268 3.716 3.960 0.040 0.000 0.220 99 G HA3 -0.268 3.702 3.960 0.017 0.000 0.220 99 G C 0.545 175.466 174.900 0.036 0.000 1.261 99 G CA -0.689 44.430 45.100 0.032 0.000 1.000 99 G HN -0.052 8.292 8.290 0.090 0.000 0.515 100 A N 2.126 124.962 122.820 0.027 0.000 1.869 100 A HA -0.211 4.121 4.320 0.020 0.000 0.218 100 A C 0.496 178.098 177.584 0.030 0.000 1.203 100 A CA 2.278 54.329 52.037 0.023 0.000 0.638 100 A CB -0.036 18.976 19.000 0.019 0.000 0.831 100 A HN 0.365 8.529 8.150 0.023 0.000 0.450 101 E N -1.283 118.940 120.200 0.037 0.000 2.751 101 E HA 0.144 4.531 4.350 0.062 0.000 0.219 101 E C -2.041 174.605 176.600 0.076 0.000 1.060 101 E CA -1.722 54.713 56.400 0.058 0.000 0.893 101 E CB -0.916 28.816 29.700 0.054 0.000 1.300 101 E HN 0.055 8.434 8.360 0.031 0.000 0.433 102 A N 3.609 126.488 122.820 0.098 0.000 2.445 102 A HA 0.331 4.803 4.320 0.004 -0.150 0.242 102 A C -0.820 176.939 177.584 0.291 0.000 1.075 102 A CA 0.168 52.284 52.037 0.131 0.000 0.777 102 A CB 0.946 20.087 19.000 0.235 0.000 1.013 102 A HN 0.196 8.352 8.150 0.087 0.046 0.493 103 R N -3.185 117.450 120.500 0.226 0.000 2.716 103 R HA 0.797 5.646 4.340 0.616 -0.140 0.271 103 R C -2.309 174.058 176.300 0.112 0.000 1.028 103 R CA -1.287 55.001 56.100 0.313 0.000 0.883 103 R CB 3.283 33.719 30.300 0.226 0.000 1.250 103 R HN 0.546 8.814 8.270 -0.003 0.000 0.465 104 I N -0.011 120.639 120.570 0.133 0.000 2.439 104 I HA 0.638 5.089 4.170 0.099 -0.221 0.285 104 I C -1.765 174.525 176.117 0.289 0.000 1.021 104 I CA -1.326 60.044 61.300 0.116 0.000 1.091 104 I CB 2.590 40.551 38.000 -0.065 0.000 1.242 104 I HN 0.210 8.584 8.210 0.273 0.000 0.439 105 N N 9.257 128.092 118.700 0.225 0.000 2.419 105 N HA 0.522 5.415 4.740 0.255 0.000 0.277 105 N C -0.959 174.697 175.510 0.243 0.000 1.006 105 N CA -0.019 53.164 53.050 0.223 0.000 0.923 105 N CB 2.576 41.147 38.487 0.139 0.000 1.140 105 N HN 0.216 8.699 8.380 0.172 0.000 0.488 106 T N -0.387 114.346 114.554 0.299 0.000 2.865 106 T HA 0.737 5.356 4.350 0.195 -0.152 0.294 106 T C -1.471 173.374 174.700 0.241 0.000 1.119 106 T CA -2.151 60.120 62.100 0.284 0.000 1.007 106 T CB 3.374 72.502 68.868 0.433 0.000 1.225 106 T HN 0.535 8.968 8.240 0.322 0.000 0.515 107 Q N -0.008 119.875 119.800 0.139 0.000 2.375 107 Q HA 0.708 5.155 4.340 -0.049 -0.136 0.271 107 Q C -1.631 174.349 176.000 -0.034 0.000 1.074 107 Q CA -0.923 54.872 55.803 -0.012 0.000 0.808 107 Q CB 4.749 33.458 28.738 -0.049 0.000 1.327 107 Q HN 0.248 8.589 8.270 0.118 0.000 0.441 108 W N -1.245 119.943 121.300 -0.187 0.000 2.962 108 W HA 1.003 5.556 4.660 -0.446 -0.161 0.341 108 W C -2.953 173.365 176.519 -0.335 0.000 1.155 108 W CA -2.933 54.150 57.345 -0.436 0.000 1.165 108 W CB 3.505 32.426 29.460 -0.898 0.000 1.435 108 W HN 1.085 8.762 8.180 -0.658 0.109 0.546 109 L N -0.096 121.145 121.223 0.030 0.000 2.376 109 L HA 0.749 5.287 4.340 0.007 -0.195 0.275 109 L C -1.855 175.049 176.870 0.057 0.000 0.987 109 L CA -1.199 53.653 54.840 0.021 0.000 0.828 109 L CB 2.841 44.861 42.059 -0.065 0.000 1.249 109 L HN 0.489 8.659 8.230 -0.100 0.000 0.409 110 L N 5.788 127.102 121.223 0.151 0.000 2.319 110 L HA 0.701 5.186 4.340 -0.040 -0.169 0.281 110 L C -1.726 175.155 176.870 0.018 0.000 1.005 110 L CA -1.539 53.324 54.840 0.039 0.000 0.828 110 L CB 2.909 44.984 42.059 0.027 0.000 1.227 110 L HN 0.878 9.234 8.230 0.210 0.000 0.415 111 T N 9.547 124.100 114.554 -0.002 0.000 2.823 111 T HA 0.660 5.212 4.350 -0.021 -0.214 0.279 111 T C -0.678 174.027 174.700 0.007 0.000 0.998 111 T CA -0.722 61.372 62.100 -0.010 0.000 0.994 111 T CB 1.849 70.707 68.868 -0.016 0.000 0.960 111 T HN 0.673 8.909 8.240 -0.008 0.000 0.448 112 S N 5.608 121.303 115.700 -0.008 0.000 2.593 112 S HA 0.422 5.047 4.470 0.041 -0.131 0.297 112 S C -0.190 174.414 174.600 0.007 0.000 1.112 112 S CA -0.475 57.730 58.200 0.009 0.000 1.043 112 S CB 2.559 65.749 63.200 -0.018 0.000 1.054 112 S HN 0.270 8.562 8.310 -0.030 0.000 0.516 113 G N 1.505 110.326 108.800 0.035 0.000 2.364 113 G HA2 0.001 3.969 3.960 0.012 0.000 0.267 113 G HA3 0.001 3.985 3.960 0.039 0.000 0.267 113 G C -1.253 173.641 174.900 -0.010 0.000 1.233 113 G CA 0.384 45.497 45.100 0.020 0.000 0.885 113 G HN 0.078 8.412 8.290 0.073 0.000 0.490 114 T N 1.253 115.794 114.554 -0.022 0.000 2.831 114 T HA 0.252 4.578 4.350 -0.040 0.000 0.287 114 T C -0.613 174.075 174.700 -0.020 0.000 1.070 114 T CA -1.673 60.405 62.100 -0.035 0.000 1.010 114 T CB 2.492 71.324 68.868 -0.061 0.000 1.264 114 T HN -0.133 8.097 8.240 -0.016 0.000 0.532 115 T N -2.905 111.640 114.554 -0.015 0.000 2.788 115 T HA 0.165 4.514 4.350 -0.002 0.000 0.280 115 T C 1.142 175.852 174.700 0.016 0.000 0.984 115 T CA -1.080 61.020 62.100 0.001 0.000 0.972 115 T CB 1.070 69.940 68.868 0.004 0.000 1.039 115 T HN -0.118 8.110 8.240 -0.020 0.000 0.530 116 E N 0.303 120.518 120.200 0.026 0.000 2.204 116 E HA -0.372 4.001 4.350 0.039 0.000 0.195 116 E C 2.310 178.956 176.600 0.077 0.000 0.990 116 E CA 2.784 59.209 56.400 0.043 0.000 0.821 116 E CB -0.530 29.192 29.700 0.036 0.000 0.750 116 E HN 0.439 8.812 8.360 0.021 0.000 0.477 117 A N -0.661 122.206 122.820 0.079 0.000 2.015 117 A HA -0.132 4.270 4.320 0.137 0.000 0.219 117 A C 0.325 178.041 177.584 0.220 0.000 1.163 117 A CA 2.361 54.477 52.037 0.131 0.000 0.646 117 A CB -0.546 18.515 19.000 0.100 0.000 0.806 117 A HN 0.191 8.347 8.150 0.055 0.027 0.448 118 N N -3.782 114.983 118.700 0.108 0.000 2.214 118 N HA 0.097 4.863 4.740 0.044 0.000 0.214 118 N C 0.489 175.896 175.510 -0.171 0.000 1.132 118 N CA -0.155 52.881 53.050 -0.023 0.000 0.856 118 N CB 0.503 38.942 38.487 -0.080 0.000 1.020 118 N HN -0.597 7.694 8.380 0.059 0.125 0.509 119 A N 1.066 123.879 122.820 -0.011 0.000 2.070 119 A HA -0.090 4.186 4.320 -0.074 0.000 0.220 119 A C 1.761 179.319 177.584 -0.043 0.000 1.159 119 A CA 2.723 54.743 52.037 -0.029 0.000 0.656 119 A CB -0.402 18.621 19.000 0.039 0.000 0.800 119 A HN -0.608 7.409 8.150 0.080 0.181 0.453 120 W N -5.302 115.995 121.300 -0.006 0.000 2.465 120 W HA -0.188 4.467 4.660 -0.009 0.000 0.268 120 W C -0.353 176.161 176.519 -0.009 0.000 1.242 120 W CA 0.455 57.795 57.345 -0.008 0.000 1.248 120 W CB -0.910 28.545 29.460 -0.008 0.000 1.118 120 W HN -0.124 8.172 8.180 0.246 0.032 0.587 121 K N -1.440 118.343 120.400 -1.028 0.000 2.699 121 K HA 0.378 4.292 4.320 -0.676 0.000 0.210 121 K C -0.088 176.234 176.600 -0.464 0.000 1.076 121 K CA -0.421 55.286 56.287 -0.966 0.000 1.109 121 K CB -0.492 30.993 32.500 -1.691 0.000 0.862 121 K HN -0.688 6.711 8.250 -1.168 0.151 0.470 122 S N -0.347 115.181 115.700 -0.287 0.000 2.501 122 S HA -0.017 4.348 4.470 -0.174 0.000 0.220 122 S C -0.583 173.954 174.600 -0.106 0.000 0.997 122 S CA 1.650 59.751 58.200 -0.166 0.000 0.919 122 S CB 0.785 63.921 63.200 -0.106 0.000 0.778 122 S HN -0.304 7.711 8.310 -0.251 0.145 0.523 123 T N 4.682 119.178 114.554 -0.097 0.000 2.792 123 T HA 0.624 5.184 4.350 -0.038 -0.232 0.280 123 T C -0.458 174.210 174.700 -0.052 0.000 0.990 123 T CA 0.449 62.516 62.100 -0.056 0.000 0.960 123 T CB 1.802 70.643 68.868 -0.045 0.000 0.939 123 T HN -0.726 7.444 8.240 -0.118 0.000 0.439 124 L N 8.191 129.408 121.223 -0.009 0.000 2.334 124 L HA 0.367 4.676 4.340 -0.051 0.000 0.275 124 L C -1.648 175.176 176.870 -0.076 0.000 1.036 124 L CA -0.825 54.014 54.840 -0.002 0.000 0.807 124 L CB 2.278 44.410 42.059 0.122 0.000 1.231 124 L HN 0.836 9.079 8.230 0.023 0.000 0.438 125 V N 0.849 120.596 119.914 -0.278 0.000 2.823 125 V HA 0.913 4.875 4.120 -0.590 -0.196 0.312 125 V C -0.896 174.587 176.094 -1.019 0.000 1.072 125 V CA -2.506 59.460 62.300 -0.557 0.000 0.937 125 V CB 3.445 35.078 31.823 -0.316 0.000 1.013 125 V HN -0.032 8.024 8.190 -0.223 0.000 0.430 126 G N 4.615 112.417 108.800 -1.663 0.000 2.619 126 G HA2 0.276 3.771 3.960 -0.775 0.000 0.305 126 G HA3 0.276 2.993 3.960 -2.072 0.000 0.305 126 G C -3.393 170.761 174.900 -1.243 0.000 1.330 126 G CA 0.331 44.486 45.100 -1.575 0.000 0.789 126 G HN 0.086 7.425 8.290 -1.584 0.000 0.487 127 H N -3.948 114.784 119.070 -0.564 0.000 2.961 127 H HA 0.579 5.146 4.556 -0.138 -0.094 0.371 127 H C -1.842 173.619 175.328 0.222 0.000 1.190 127 H CA -1.626 54.343 56.048 -0.130 0.000 1.138 127 H CB 3.561 33.268 29.762 -0.092 0.000 1.816 127 H HN 0.068 7.779 8.280 -0.948 0.000 0.551 128 D N -0.166 120.448 120.400 0.358 0.000 2.859 128 D HA 0.204 4.912 4.640 0.115 0.000 0.223 128 D C -1.437 174.933 176.300 0.117 0.000 1.218 128 D CA -0.122 53.998 54.000 0.200 0.000 0.850 128 D CB 4.546 45.420 40.800 0.124 0.000 1.656 128 D HN 0.169 8.779 8.370 0.400 0.000 0.484 129 T N 3.405 117.940 114.554 -0.031 0.000 2.812 129 T HA 0.571 5.218 4.350 0.213 -0.169 0.282 129 T C -1.198 173.474 174.700 -0.046 0.000 0.990 129 T CA -0.236 61.911 62.100 0.079 0.000 0.960 129 T CB 1.503 70.447 68.868 0.128 0.000 0.948 129 T HN 0.203 8.395 8.240 -0.081 0.000 0.438 130 F N 6.604 126.727 119.950 0.288 0.000 2.480 130 F HA 0.846 5.817 4.527 0.393 -0.208 0.329 130 F C -0.200 175.913 175.800 0.521 0.000 1.091 130 F CA -1.615 56.622 58.000 0.395 0.000 0.972 130 F CB 3.365 42.611 39.000 0.410 0.000 1.150 130 F HN 0.918 9.520 8.300 0.503 0.000 0.467 131 T N -2.777 112.225 114.554 0.747 0.000 2.887 131 T HA 0.570 5.356 4.350 0.727 0.000 0.292 131 T C 0.635 175.602 174.700 0.445 0.000 1.087 131 T CA -2.321 60.139 62.100 0.600 0.000 1.009 131 T CB 3.416 72.487 68.868 0.339 0.000 1.203 131 T HN 0.798 9.449 8.240 0.687 0.000 0.518 132 K N 0.630 121.069 120.400 0.066 0.000 2.418 132 K HA 0.180 4.371 4.320 -0.481 -0.160 0.195 132 K C -0.563 176.089 176.600 0.086 0.000 1.035 132 K CA 1.412 57.563 56.287 -0.228 0.000 1.003 132 K CB 0.497 32.763 32.500 -0.390 0.000 0.793 132 K HN 0.585 8.900 8.250 0.109 0.000 0.494 133 V N -1.333 118.667 119.914 0.144 0.000 2.667 133 V HA 0.240 4.354 4.120 -0.011 0.000 0.308 133 V C -1.362 174.735 176.094 0.006 0.000 1.048 133 V CA -1.333 60.993 62.300 0.043 0.000 0.928 133 V CB 3.008 34.843 31.823 0.019 0.000 1.004 133 V HN -0.715 7.502 8.190 0.159 0.069 0.444 134 K N 0.000 120.211 120.400 -0.315 0.000 2.780 134 K HA 0.000 4.268 4.320 -0.087 0.000 0.191 134 K CA 0.000 56.072 56.287 -0.359 0.000 0.838 134 K CB 0.000 31.920 32.500 -0.967 0.000 1.064 134 K HN 0.000 8.028 8.250 -0.369 0.000 0.543