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 2rte_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 A HA 0.000 4.425 4.320 0.175 0.000 0.244 13 A C 0.000 177.735 177.584 0.251 0.000 1.274 13 A CA 0.000 52.144 52.037 0.179 0.000 0.836 13 A CB 0.000 19.076 19.000 0.127 0.000 0.831 14 E N -0.588 119.719 120.200 0.179 0.000 2.569 14 E HA -0.150 4.160 4.350 -0.066 0.000 0.258 14 E C -0.580 176.032 176.600 0.020 0.000 1.390 14 E CA 0.231 56.660 56.400 0.049 0.000 1.049 14 E CB 0.302 30.082 29.700 0.133 0.000 1.009 14 E HN 0.297 8.760 8.360 0.170 0.000 0.580 15 A N -2.324 120.415 122.820 -0.134 0.000 3.570 15 A HA -0.119 4.171 4.320 -0.049 0.000 0.199 15 A C -0.030 177.487 177.584 -0.113 0.000 1.297 15 A CA 0.030 52.028 52.037 -0.065 0.000 1.172 15 A CB -0.894 18.142 19.000 0.059 0.000 0.810 15 A HN 0.120 8.095 8.150 -0.291 0.000 0.390 16 G N 0.140 108.927 108.800 -0.022 0.000 3.741 16 G HA2 0.346 4.284 3.960 -0.037 0.000 0.263 16 G HA3 0.346 4.382 3.960 0.126 0.000 0.263 16 G C -0.258 174.634 174.900 -0.014 0.000 1.175 16 G CA -0.179 44.931 45.100 0.017 0.000 1.642 16 G HN 0.015 8.386 8.290 0.134 0.000 0.644 17 I N 0.956 121.343 120.570 -0.305 0.000 2.585 17 I HA -0.198 3.929 4.170 -0.073 0.000 0.254 17 I C -0.187 175.896 176.117 -0.057 0.000 1.129 17 I CA 1.385 62.496 61.300 -0.315 0.000 1.455 17 I CB 0.547 38.126 38.000 -0.703 0.000 1.111 17 I HN -0.658 7.250 8.210 -0.362 0.085 0.433 18 T N 1.233 115.689 114.554 -0.163 0.000 2.934 18 T HA -0.290 4.133 4.350 -0.202 -0.194 0.306 18 T C -0.078 174.555 174.700 -0.113 0.000 1.042 18 T CA 3.315 65.324 62.100 -0.153 0.000 1.145 18 T CB 0.179 68.955 68.868 -0.152 0.000 0.982 18 T HN -0.466 7.644 8.240 -0.217 0.000 0.544 19 G N 4.314 113.017 108.800 -0.162 0.000 2.340 19 G HA2 -0.177 3.647 3.960 -0.226 0.000 0.282 19 G HA3 -0.177 3.578 3.960 -0.341 0.000 0.282 19 G C -3.186 171.530 174.900 -0.305 0.000 1.312 19 G CA 0.051 44.998 45.100 -0.255 0.000 0.942 19 G HN 0.151 8.323 8.290 -0.196 0.000 0.495 20 T N 2.204 116.509 114.554 -0.416 0.000 2.770 20 T HA 0.715 5.029 4.350 -0.343 -0.170 0.283 20 T C -1.033 173.330 174.700 -0.561 0.000 0.988 20 T CA 0.615 62.468 62.100 -0.411 0.000 0.957 20 T CB 1.142 69.812 68.868 -0.330 0.000 0.930 20 T HN 0.028 8.003 8.240 -0.442 0.000 0.443 21 W N 6.010 127.020 121.300 -0.483 0.000 2.719 21 W HA 0.453 5.200 4.660 -0.085 -0.137 0.352 21 W C -1.612 174.696 176.519 -0.353 0.000 1.085 21 W CA -1.512 55.696 57.345 -0.227 0.000 1.187 21 W CB 3.285 32.751 29.460 0.009 0.000 1.417 21 W HN 0.909 8.890 8.180 -0.154 0.107 0.557 22 Y N -2.970 117.638 120.300 0.514 0.000 2.512 22 Y HA 0.926 5.910 4.550 0.324 -0.239 0.348 22 Y C -0.834 175.262 175.900 0.326 0.000 0.990 22 Y CA -1.881 56.430 58.100 0.352 0.000 1.033 22 Y CB 3.620 42.184 38.460 0.173 0.000 1.259 22 Y HN 1.043 9.720 8.280 0.662 0.000 0.461 23 N N 0.218 119.076 118.700 0.264 0.000 2.741 23 N HA 0.656 5.517 4.740 -0.099 -0.180 0.310 23 N C 1.962 177.484 175.510 0.020 0.000 1.295 23 N CA -2.857 50.124 53.050 -0.115 0.000 0.893 23 N CB 1.821 39.910 38.487 -0.663 0.000 1.247 23 N HN -0.084 8.473 8.380 0.296 0.000 0.596 24 Q N -0.604 119.185 119.800 -0.018 0.000 2.439 24 Q HA -0.139 4.226 4.340 0.043 0.000 0.211 24 Q C 0.247 176.268 176.000 0.036 0.000 0.978 24 Q CA 2.140 57.960 55.803 0.028 0.000 0.897 24 Q CB -0.892 27.866 28.738 0.033 0.000 0.956 24 Q HN 0.368 8.589 8.270 -0.082 0.000 0.483 25 L N -2.853 118.395 121.223 0.041 0.000 2.585 25 L HA 0.226 4.589 4.340 0.039 0.000 0.226 25 L C 0.661 177.571 176.870 0.065 0.000 1.113 25 L CA -0.246 54.625 54.840 0.051 0.000 0.876 25 L CB 0.609 42.705 42.059 0.061 0.000 1.072 25 L HN -0.421 8.021 8.230 0.029 -0.194 0.468 26 G N -1.805 107.049 108.800 0.089 0.000 2.131 26 G HA2 -0.337 3.694 3.960 0.120 0.000 0.223 26 G HA3 -0.337 3.668 3.960 0.076 0.000 0.223 26 G C -0.472 174.525 174.900 0.161 0.000 0.990 26 G CA -0.152 45.015 45.100 0.112 0.000 0.671 26 G HN -0.224 8.035 8.290 0.091 0.086 0.521 27 S N 1.115 116.912 115.700 0.163 0.000 2.617 27 S HA -0.007 4.580 4.470 0.105 -0.053 0.269 27 S C -0.936 173.723 174.600 0.098 0.000 1.292 27 S CA 1.588 59.858 58.200 0.118 0.000 1.010 27 S CB 1.682 64.981 63.200 0.165 0.000 0.944 27 S HN -0.316 8.339 8.310 0.150 -0.255 0.536 28 T N 4.676 119.175 114.554 -0.092 0.000 2.792 28 T HA 0.585 4.979 4.350 -0.204 -0.167 0.280 28 T C -1.621 172.863 174.700 -0.360 0.000 0.990 28 T CA -0.073 61.918 62.100 -0.181 0.000 0.960 28 T CB 1.473 70.290 68.868 -0.085 0.000 0.939 28 T HN 0.419 8.575 8.240 -0.140 0.000 0.439 29 F N 9.448 129.117 119.950 -0.468 0.000 2.434 29 F HA 0.579 4.919 4.527 -0.504 -0.116 0.355 29 F C -2.927 172.687 175.800 -0.309 0.000 1.115 29 F CA -3.006 54.708 58.000 -0.478 0.000 1.010 29 F CB 2.624 41.261 39.000 -0.605 0.000 1.234 29 F HN 0.858 9.058 8.300 -0.166 0.000 0.439 30 I N 8.903 129.265 120.570 -0.346 0.000 2.354 30 I HA 0.569 4.691 4.170 -0.394 -0.188 0.286 30 I C -2.194 173.626 176.117 -0.496 0.000 1.007 30 I CA -0.959 60.113 61.300 -0.381 0.000 1.167 30 I CB 1.520 39.392 38.000 -0.213 0.000 1.320 30 I HN 0.864 8.973 8.210 -0.168 0.000 0.458 31 V N 8.631 128.174 119.914 -0.619 0.000 2.962 31 V HA 0.829 4.866 4.120 -0.421 -0.169 0.313 31 V C -2.142 173.746 176.094 -0.343 0.000 1.099 31 V CA -2.949 59.014 62.300 -0.561 0.000 0.971 31 V CB 5.013 36.229 31.823 -1.010 0.000 1.028 31 V HN 0.699 8.555 8.190 -0.558 0.000 0.430 32 T N 8.264 122.665 114.554 -0.254 0.000 2.841 32 T HA 0.289 4.528 4.350 -0.184 0.000 0.285 32 T C -2.234 172.372 174.700 -0.158 0.000 0.991 32 T CA -0.964 61.030 62.100 -0.177 0.000 0.966 32 T CB 1.807 70.604 68.868 -0.118 0.000 0.962 32 T HN 0.561 8.658 8.240 -0.239 0.000 0.438 33 A N 7.001 129.718 122.820 -0.172 0.000 2.260 33 A HA 0.755 5.203 4.320 -0.065 -0.166 0.314 33 A C -0.760 176.825 177.584 0.003 0.000 1.257 33 A CA -1.917 50.032 52.037 -0.146 0.000 0.871 33 A CB 1.587 20.311 19.000 -0.459 0.000 1.166 33 A HN 0.417 8.456 8.150 -0.184 0.000 0.522 34 G N 0.650 109.522 108.800 0.120 0.000 2.504 34 G HA2 0.070 4.054 3.960 0.042 0.000 0.288 34 G HA3 0.070 4.072 3.960 0.072 0.000 0.288 34 G C -0.250 174.739 174.900 0.149 0.000 1.182 34 G CA -1.275 43.879 45.100 0.090 0.000 0.894 34 G HN 0.293 8.585 8.290 0.182 0.108 0.521 35 A N -1.213 121.658 122.820 0.084 0.000 2.125 35 A HA -0.011 4.387 4.320 0.130 0.000 0.219 35 A C 0.205 177.811 177.584 0.038 0.000 1.156 35 A CA 1.838 53.924 52.037 0.082 0.000 0.671 35 A CB 0.280 19.304 19.000 0.039 0.000 0.794 35 A HN 0.304 8.484 8.150 0.050 0.000 0.459 36 D N -3.844 116.558 120.400 0.003 0.000 2.722 36 D HA 0.021 4.620 4.640 -0.068 0.000 0.239 36 D C -0.618 175.587 176.300 -0.159 0.000 1.249 36 D CA -1.130 52.834 54.000 -0.061 0.000 0.830 36 D CB -0.064 40.713 40.800 -0.038 0.000 1.025 36 D HN -0.517 7.830 8.370 0.022 0.036 0.486 37 G N -1.675 106.925 108.800 -0.333 0.000 2.176 37 G HA2 -0.446 2.551 3.960 -1.737 0.000 0.253 37 G HA3 -0.446 3.217 3.960 -0.495 0.000 0.253 37 G C -1.712 173.037 174.900 -0.251 0.000 0.979 37 G CA 0.426 45.112 45.100 -0.690 0.000 0.641 37 G HN -0.563 7.513 8.290 -0.245 0.067 0.530 38 A N -0.666 122.168 122.820 0.024 0.000 2.293 38 A HA 0.412 4.779 4.320 0.078 0.000 0.302 38 A C -1.632 176.073 177.584 0.201 0.000 1.119 38 A CA -1.374 50.726 52.037 0.104 0.000 0.823 38 A CB 2.347 21.380 19.000 0.054 0.000 1.097 38 A HN -0.565 7.560 8.150 0.034 0.046 0.491 39 L N 0.854 122.161 121.223 0.139 0.000 2.385 39 L HA 0.953 5.501 4.340 0.016 -0.198 0.273 39 L C -0.332 176.549 176.870 0.019 0.000 0.990 39 L CA -1.413 53.465 54.840 0.064 0.000 0.821 39 L CB 3.031 45.138 42.059 0.080 0.000 1.279 39 L HN -0.102 8.199 8.230 0.119 0.000 0.412 40 T N -1.681 112.850 114.554 -0.039 0.000 2.896 40 T HA 0.731 5.210 4.350 -0.007 -0.134 0.297 40 T C -0.733 173.913 174.700 -0.091 0.000 1.108 40 T CA -2.167 59.911 62.100 -0.037 0.000 1.004 40 T CB 3.402 72.256 68.868 -0.024 0.000 1.159 40 T HN 0.420 8.614 8.240 -0.078 0.000 0.499 41 G N -0.580 108.181 108.800 -0.065 0.000 2.368 41 G HA2 0.171 4.076 3.960 -0.093 0.000 0.269 41 G HA3 0.171 4.236 3.960 -0.162 -0.202 0.269 41 G C -2.752 172.134 174.900 -0.024 0.000 1.291 41 G CA 1.023 46.069 45.100 -0.090 0.000 0.903 41 G HN -0.501 7.771 8.290 -0.029 0.000 0.483 42 T N -2.418 112.127 114.554 -0.015 0.000 2.903 42 T HA 0.971 5.557 4.350 0.100 -0.176 0.299 42 T C -2.529 172.261 174.700 0.151 0.000 1.093 42 T CA -2.271 59.871 62.100 0.070 0.000 1.002 42 T CB 3.632 72.525 68.868 0.041 0.000 1.127 42 T HN 0.222 8.418 8.240 -0.075 0.000 0.488 43 Y N 1.858 122.222 120.300 0.106 0.000 2.477 43 Y HA 0.780 5.607 4.550 0.145 -0.189 0.347 43 Y C -2.599 173.468 175.900 0.279 0.000 0.981 43 Y CA -1.922 56.271 58.100 0.156 0.000 1.033 43 Y CB 4.699 43.210 38.460 0.086 0.000 1.245 43 Y HN 0.769 9.235 8.280 0.310 0.000 0.455 44 E N 7.066 127.356 120.200 0.149 0.000 2.241 44 E HA 0.531 5.332 4.350 0.521 -0.139 0.263 44 E C -2.243 174.513 176.600 0.260 0.000 0.882 44 E CA -1.684 54.894 56.400 0.296 0.000 0.769 44 E CB 4.139 33.925 29.700 0.143 0.000 1.185 44 E HN 0.597 8.765 8.360 -0.320 0.000 0.415 45 S N 7.408 123.371 115.700 0.438 0.000 2.508 45 S HA 0.174 4.872 4.470 0.380 0.000 0.284 45 S C -0.097 174.598 174.600 0.157 0.000 1.192 45 S CA -1.193 57.207 58.200 0.333 0.000 1.070 45 S CB 1.348 64.671 63.200 0.206 0.000 1.004 45 S HN 0.726 9.351 8.310 0.524 0.000 0.493 46 A N 7.002 129.893 122.820 0.118 0.000 2.208 46 A HA 0.074 4.435 4.320 0.069 0.000 0.209 46 A C -0.458 177.141 177.584 0.025 0.000 1.161 46 A CA 0.752 52.830 52.037 0.069 0.000 0.782 46 A CB 0.292 19.333 19.000 0.069 0.000 0.816 46 A HN 0.394 8.633 8.150 0.147 0.000 0.477 47 V N -6.292 113.618 119.914 -0.007 0.000 3.130 47 V HA 0.525 4.619 4.120 -0.043 0.000 0.310 47 V C -0.322 175.685 176.094 -0.146 0.000 1.158 47 V CA -2.108 60.156 62.300 -0.061 0.000 1.029 47 V CB 1.808 33.596 31.823 -0.058 0.000 1.057 47 V HN -0.418 7.717 8.190 0.007 0.059 0.436 48 G N 0.664 109.374 108.800 -0.150 0.000 2.728 48 G HA2 -0.321 3.532 3.960 -0.178 0.000 0.294 48 G HA3 -0.321 3.439 3.960 -0.332 0.000 0.294 48 G C -1.192 173.601 174.900 -0.178 0.000 1.342 48 G CA -0.482 44.489 45.100 -0.216 0.000 0.866 48 G HN 0.339 8.565 8.290 -0.106 0.000 0.534 49 N N 2.771 121.348 118.700 -0.206 0.000 3.178 49 N HA -0.036 4.665 4.740 -0.066 0.000 0.300 49 N C -1.779 173.665 175.510 -0.109 0.000 1.242 49 N CA -0.642 52.336 53.050 -0.121 0.000 1.192 49 N CB -1.470 36.952 38.487 -0.108 0.000 1.463 49 N HN 0.058 8.281 8.380 -0.261 0.000 0.539 50 A N 0.803 123.591 122.820 -0.054 0.000 2.594 50 A HA 0.383 4.864 4.320 0.269 0.000 0.295 50 A C -2.450 175.263 177.584 0.216 0.000 1.071 50 A CA -0.754 51.348 52.037 0.107 0.000 0.685 50 A CB 2.826 21.748 19.000 -0.131 0.000 1.285 50 A HN -0.262 7.809 8.150 -0.053 0.047 0.405 51 E N 1.147 121.588 120.200 0.401 0.000 2.363 51 E HA 0.289 4.731 4.350 0.153 0.000 0.281 51 E C -1.098 175.575 176.600 0.123 0.000 0.953 51 E CA -0.699 55.811 56.400 0.183 0.000 0.778 51 E CB 3.008 32.717 29.700 0.016 0.000 1.220 51 E HN 0.399 9.192 8.360 0.722 0.000 0.431 52 S N 0.408 116.126 115.700 0.030 0.000 3.630 52 S HA -0.442 4.128 4.470 -0.040 -0.124 0.634 52 S C -1.533 173.136 174.600 0.114 0.000 2.333 52 S CA 1.079 59.254 58.200 -0.042 0.000 2.607 52 S CB 0.351 63.376 63.200 -0.292 0.000 0.329 52 S HN 0.295 8.629 8.310 0.040 0.000 1.712 53 R N -1.085 119.430 120.500 0.025 0.000 2.536 53 R HA 0.345 5.043 4.340 0.292 -0.182 0.279 53 R C -0.789 175.435 176.300 -0.126 0.000 1.001 53 R CA -0.210 55.946 56.100 0.094 0.000 1.027 53 R CB 1.417 31.756 30.300 0.066 0.000 1.096 53 R HN -0.104 8.159 8.270 -0.012 0.000 0.502 54 Y N -1.462 118.920 120.300 0.138 0.000 2.512 54 Y HA 0.208 4.798 4.550 0.066 0.000 0.348 54 Y C -0.694 175.222 175.900 0.027 0.000 0.990 54 Y CA -1.292 56.846 58.100 0.064 0.000 1.033 54 Y CB 2.970 41.413 38.460 -0.029 0.000 1.259 54 Y HN 0.136 8.669 8.280 0.422 0.000 0.461 55 V N 1.930 121.920 119.914 0.128 0.000 2.686 55 V HA -0.007 4.280 4.120 0.064 -0.129 0.295 55 V C -0.440 175.689 176.094 0.058 0.000 1.055 55 V CA 1.324 63.665 62.300 0.069 0.000 1.050 55 V CB 0.139 31.985 31.823 0.037 0.000 0.984 55 V HN 0.732 8.993 8.190 0.120 0.000 0.482 56 L N 1.583 122.843 121.223 0.062 0.000 2.371 56 L HA 1.132 5.714 4.340 0.083 -0.193 0.262 56 L C -1.395 175.522 176.870 0.079 0.000 1.006 56 L CA -1.625 53.268 54.840 0.088 0.000 0.818 56 L CB 4.364 46.492 42.059 0.115 0.000 1.354 56 L HN -0.091 8.170 8.230 0.052 0.000 0.415 57 T N 0.498 115.123 114.554 0.118 0.000 2.923 57 T HA 0.632 5.190 4.350 0.077 -0.162 0.311 57 T C -1.464 173.338 174.700 0.171 0.000 1.183 57 T CA -1.259 60.902 62.100 0.102 0.000 1.020 57 T CB 2.317 71.224 68.868 0.066 0.000 1.165 57 T HN -0.194 8.143 8.240 0.161 0.000 0.482 58 G N 2.574 111.474 108.800 0.165 0.000 2.634 58 G HA2 0.685 4.761 3.960 0.193 0.000 0.309 58 G HA3 0.685 4.978 3.960 0.312 -0.145 0.309 58 G C -2.833 172.168 174.900 0.168 0.000 1.299 58 G CA 0.600 45.828 45.100 0.214 0.000 0.798 58 G HN 0.202 8.565 8.290 0.122 0.000 0.490 59 R N -3.490 117.124 120.500 0.191 0.000 2.707 59 R HA 1.077 5.686 4.340 0.150 -0.179 0.272 59 R C -1.841 174.592 176.300 0.222 0.000 1.011 59 R CA -1.909 54.281 56.100 0.150 0.000 0.893 59 R CB 4.894 35.229 30.300 0.058 0.000 1.233 59 R HN 0.090 8.497 8.270 0.228 0.000 0.464 60 Y N -2.814 117.514 120.300 0.046 0.000 2.644 60 Y HA 0.642 5.358 4.550 0.068 -0.126 0.338 60 Y C -2.079 173.841 175.900 0.033 0.000 1.119 60 Y CA -2.629 55.498 58.100 0.045 0.000 1.060 60 Y CB 2.402 40.872 38.460 0.016 0.000 1.294 60 Y HN 0.374 8.585 8.280 -0.115 0.000 0.472 61 D N 0.678 121.121 120.400 0.072 0.000 2.325 61 D HA 0.133 4.703 4.640 -0.116 0.000 0.251 61 D C 0.371 176.638 176.300 -0.056 0.000 1.196 61 D CA -1.087 52.895 54.000 -0.030 0.000 0.866 61 D CB 0.872 41.714 40.800 0.070 0.000 1.101 61 D HN 0.012 8.530 8.370 0.248 0.000 0.476 62 S N 3.831 119.370 115.700 -0.268 0.000 2.489 62 S HA -0.188 4.449 4.470 0.110 -0.101 0.228 62 S C -0.462 174.162 174.600 0.041 0.000 0.995 62 S CA 1.291 59.416 58.200 -0.126 0.000 0.934 62 S CB 0.402 63.458 63.200 -0.241 0.000 0.771 62 S HN 0.043 8.170 8.310 -0.305 0.000 0.522 63 A N 2.087 124.917 122.820 0.017 0.000 3.204 63 A HA 0.441 4.795 4.320 0.057 0.000 0.327 63 A C -2.923 174.693 177.584 0.053 0.000 0.998 63 A CA -2.712 49.349 52.037 0.039 0.000 0.891 63 A CB 0.309 19.317 19.000 0.014 0.000 1.061 63 A HN -0.635 7.588 8.150 -0.020 -0.086 0.478 64 P HA -0.106 4.537 4.420 0.083 -0.174 0.272 64 P C -1.467 175.874 177.300 0.068 0.000 1.243 64 P CA -0.089 63.065 63.100 0.090 0.000 0.803 64 P CB 1.038 32.814 31.700 0.127 0.000 0.974 65 A N -2.223 120.635 122.820 0.062 0.000 2.322 65 A HA 0.107 4.452 4.320 0.042 0.000 0.269 65 A C 1.292 178.906 177.584 0.050 0.000 1.094 65 A CA -0.803 51.263 52.037 0.048 0.000 0.807 65 A CB 1.230 20.255 19.000 0.041 0.000 1.047 65 A HN -0.018 8.172 8.150 0.067 0.000 0.487 66 T N -1.519 113.060 114.554 0.042 0.000 3.607 66 T HA -0.000 4.402 4.350 0.046 -0.025 0.225 66 T C -1.104 173.618 174.700 0.035 0.000 0.904 66 T CA -0.840 61.284 62.100 0.040 0.000 0.962 66 T CB -1.381 67.507 68.868 0.034 0.000 1.221 66 T HN 0.196 8.572 8.240 0.036 -0.114 0.641 67 D N -0.885 119.538 120.400 0.038 0.000 2.714 67 D HA 0.012 4.522 4.640 0.029 0.147 0.278 67 D C -0.577 175.745 176.300 0.036 0.000 1.102 67 D CA -1.723 52.297 54.000 0.032 0.000 1.108 67 D CB 1.953 42.771 40.800 0.029 0.000 1.444 67 D HN -0.253 9.480 8.370 0.044 -1.337 0.568 68 G N -2.178 106.640 108.800 0.031 0.000 3.102 68 G HA2 -0.072 3.908 3.960 0.033 0.000 0.264 68 G HA3 -0.072 3.903 3.960 0.025 0.000 0.264 68 G C -0.954 173.966 174.900 0.033 0.000 0.788 68 G CA 0.449 45.567 45.100 0.031 0.000 2.029 68 G HN 0.022 8.329 8.290 0.027 0.000 0.608 69 S N 1.248 116.974 115.700 0.043 0.000 2.671 69 S HA 0.136 4.630 4.470 0.040 0.000 0.299 69 S C -0.452 174.186 174.600 0.064 0.000 1.116 69 S CA -1.765 56.464 58.200 0.048 0.000 0.912 69 S CB 3.874 67.104 63.200 0.050 0.000 1.130 69 S HN -0.219 8.071 8.310 0.049 0.049 0.501 70 G N -0.382 108.459 108.800 0.070 0.000 2.547 70 G HA2 0.295 4.399 3.960 0.090 0.000 0.291 70 G HA3 0.295 4.430 3.960 0.089 -0.121 0.291 70 G C -1.238 173.745 174.900 0.140 0.000 1.211 70 G CA -0.556 44.602 45.100 0.097 0.000 0.950 70 G HN -0.225 8.190 8.290 0.061 -0.088 0.504 71 T N 3.776 118.454 114.554 0.207 0.000 2.749 71 T HA 0.119 4.578 4.350 0.180 0.000 0.287 71 T C -0.764 174.062 174.700 0.210 0.000 0.970 71 T CA 0.627 62.861 62.100 0.224 0.000 0.980 71 T CB 1.360 70.405 68.868 0.296 0.000 0.924 71 T HN 0.055 8.445 8.240 0.249 0.000 0.456 72 A N 8.422 131.344 122.820 0.170 0.000 2.388 72 A HA 0.624 5.220 4.320 0.154 -0.183 0.257 72 A C -1.489 176.209 177.584 0.191 0.000 1.095 72 A CA -0.870 51.260 52.037 0.155 0.000 0.791 72 A CB 1.094 20.159 19.000 0.109 0.000 1.029 72 A HN 0.719 8.958 8.150 0.149 0.000 0.489 73 L N -4.396 116.945 121.223 0.197 0.000 2.765 73 L HA 1.039 5.639 4.340 0.228 -0.124 0.263 73 L C -1.630 175.378 176.870 0.231 0.000 1.068 73 L CA -1.445 53.539 54.840 0.241 0.000 0.903 73 L CB 3.743 45.972 42.059 0.284 0.000 1.512 73 L HN 0.282 8.618 8.230 0.178 0.000 0.404 74 G N -3.780 105.188 108.800 0.280 0.000 2.632 74 G HA2 0.755 4.943 3.960 0.144 0.000 0.292 74 G HA3 0.755 4.787 3.960 0.120 0.000 0.292 74 G C -3.441 171.680 174.900 0.368 0.000 1.465 74 G CA 0.739 45.970 45.100 0.219 0.000 0.824 74 G HN -0.082 8.393 8.290 0.308 0.000 0.509 75 W N -3.384 117.975 121.300 0.098 0.000 3.066 75 W HA 0.713 5.518 4.660 0.061 -0.109 0.330 75 W C -3.112 173.485 176.519 0.130 0.000 1.253 75 W CA -1.521 55.865 57.345 0.069 0.000 1.187 75 W CB 2.180 31.634 29.460 -0.011 0.000 1.434 75 W HN 0.429 8.533 8.180 -0.126 0.000 0.572 76 T N 1.957 116.671 114.554 0.267 0.000 2.893 76 T HA 0.819 5.396 4.350 0.078 -0.180 0.291 76 T C -1.510 173.261 174.700 0.120 0.000 1.028 76 T CA -0.720 61.458 62.100 0.131 0.000 0.995 76 T CB 3.221 72.117 68.868 0.045 0.000 1.051 76 T HN 0.600 9.032 8.240 0.320 0.000 0.470 77 V N 3.305 123.192 119.914 -0.046 0.000 2.686 77 V HA 0.376 4.524 4.120 -0.203 -0.150 0.306 77 V C -2.351 173.409 176.094 -0.557 0.000 1.065 77 V CA -1.904 60.192 62.300 -0.339 0.000 0.894 77 V CB 3.638 35.033 31.823 -0.714 0.000 1.004 77 V HN 0.249 8.393 8.190 -0.075 0.000 0.424 78 A N 5.210 127.777 122.820 -0.421 0.000 2.288 78 A HA 0.545 4.823 4.320 -0.259 -0.114 0.320 78 A C -0.057 177.335 177.584 -0.321 0.000 1.217 78 A CA -1.659 50.216 52.037 -0.270 0.000 0.840 78 A CB 2.036 20.994 19.000 -0.070 0.000 1.179 78 A HN 0.664 8.642 8.150 -0.287 0.000 0.504 79 W N 5.425 126.709 121.300 -0.026 0.000 1.435 79 W HA -0.118 4.373 4.660 -0.281 0.000 0.471 79 W C -1.368 175.245 176.519 0.157 0.000 0.590 79 W CA -1.123 56.171 57.345 -0.085 0.000 2.419 79 W CB -0.989 28.336 29.460 -0.225 0.000 1.251 79 W HN 0.535 8.678 8.180 -0.061 0.000 0.338 80 K N 0.880 121.518 120.400 0.396 0.000 2.443 80 K HA 0.719 5.420 4.320 0.281 -0.213 0.252 80 K C -1.753 174.990 176.600 0.239 0.000 0.933 80 K CA -1.205 55.249 56.287 0.278 0.000 0.792 80 K CB 3.127 35.701 32.500 0.124 0.000 1.185 80 K HN -0.238 8.123 8.250 0.328 0.087 0.425 81 N N 4.781 123.548 118.700 0.112 0.000 3.439 81 N HA 0.212 4.920 4.740 -0.053 0.000 0.313 81 N C -0.635 174.826 175.510 -0.081 0.000 1.598 81 N CA -0.914 52.092 53.050 -0.073 0.000 0.830 81 N CB 0.725 38.979 38.487 -0.388 0.000 1.849 81 N HN 0.672 9.137 8.380 0.141 0.000 0.598 82 N N -1.547 117.039 118.700 -0.190 0.000 2.521 82 N HA 0.049 4.668 4.740 -0.201 0.000 0.188 82 N C -0.695 174.521 175.510 -0.490 0.000 1.146 82 N CA 1.544 54.397 53.050 -0.329 0.000 0.893 82 N CB -0.326 37.900 38.487 -0.435 0.000 0.975 82 N HN 0.263 8.528 8.380 -0.193 0.000 0.451 83 Y N -1.765 118.513 120.300 -0.037 0.000 2.594 83 Y HA 0.085 4.635 4.550 0.000 0.000 0.283 83 Y C -0.260 175.659 175.900 0.031 0.000 1.140 83 Y CA 1.698 59.796 58.100 -0.004 0.000 1.261 83 Y CB 2.077 40.534 38.460 -0.006 0.000 1.358 83 Y HN -0.012 8.538 8.280 -0.040 -0.294 0.513 84 R N -3.243 117.390 120.500 0.223 0.000 2.799 84 R HA 0.234 4.646 4.340 0.120 0.000 0.270 84 R C -2.540 173.859 176.300 0.165 0.000 1.010 84 R CA -1.150 55.059 56.100 0.181 0.000 0.916 84 R CB 4.319 34.754 30.300 0.224 0.000 1.228 84 R HN 0.173 8.952 8.270 0.227 -0.373 0.469 85 N N 0.113 118.844 118.700 0.052 0.000 2.549 85 N HA 0.379 5.318 4.740 0.032 -0.180 0.281 85 N C -1.292 174.068 175.510 -0.250 0.000 1.084 85 N CA -0.020 52.976 53.050 -0.090 0.000 0.862 85 N CB 1.197 39.564 38.487 -0.200 0.000 1.333 85 N HN 0.329 8.726 8.380 0.027 0.000 0.523 86 A N 2.767 125.519 122.820 -0.113 0.000 2.308 86 A HA 0.124 4.390 4.320 -0.090 0.000 0.217 86 A C 0.188 177.745 177.584 -0.045 0.000 1.216 86 A CA -0.329 51.656 52.037 -0.086 0.000 0.864 86 A CB 0.802 19.785 19.000 -0.029 0.000 0.902 86 A HN 0.751 8.928 8.150 0.045 0.000 0.499 87 H N -3.176 115.956 119.070 0.103 0.000 2.677 87 H HA -0.309 4.295 4.556 0.081 0.000 0.321 87 H C -1.899 173.471 175.328 0.070 0.000 1.171 87 H CA 1.003 57.096 56.048 0.075 0.000 1.139 87 H CB -2.675 27.113 29.762 0.042 0.000 1.515 87 H HN -0.198 8.062 8.280 -0.372 -0.204 0.423 88 S N -4.610 111.205 115.700 0.192 0.000 2.615 88 S HA 0.891 5.559 4.470 0.129 -0.121 0.269 88 S C -2.412 172.352 174.600 0.274 0.000 1.161 88 S CA -0.685 57.626 58.200 0.185 0.000 0.817 88 S CB 4.097 67.366 63.200 0.115 0.000 1.131 88 S HN -0.377 8.051 8.310 0.197 0.000 0.467 89 A N -2.004 120.945 122.820 0.215 0.000 2.574 89 A HA 0.723 5.153 4.320 -0.034 -0.130 0.297 89 A C -2.370 175.244 177.584 0.049 0.000 1.062 89 A CA -0.125 51.958 52.037 0.077 0.000 0.686 89 A CB 3.723 22.713 19.000 -0.016 0.000 1.285 89 A HN 0.414 8.653 8.150 0.147 0.000 0.403 90 T N 3.046 117.557 114.554 -0.072 0.000 2.863 90 T HA 1.067 5.493 4.350 -0.235 -0.217 0.285 90 T C -0.737 173.714 174.700 -0.415 0.000 1.009 90 T CA -1.250 60.667 62.100 -0.306 0.000 0.989 90 T CB 2.732 71.260 68.868 -0.567 0.000 1.004 90 T HN 0.689 8.807 8.240 -0.203 0.000 0.455 91 T N 1.247 115.544 114.554 -0.428 0.000 2.861 91 T HA 0.776 5.201 4.350 -0.188 -0.188 0.287 91 T C -1.416 173.040 174.700 -0.406 0.000 1.003 91 T CA -1.926 60.003 62.100 -0.285 0.000 0.977 91 T CB 2.668 71.451 68.868 -0.141 0.000 0.996 91 T HN 0.345 8.355 8.240 -0.383 0.000 0.448 92 W N 4.354 125.294 121.300 -0.599 0.000 2.587 92 W HA 0.425 5.074 4.660 -0.266 -0.149 0.324 92 W C -1.482 174.737 176.519 -0.501 0.000 1.040 92 W CA -1.375 55.582 57.345 -0.647 0.000 1.222 92 W CB 3.482 32.077 29.460 -1.441 0.000 1.381 92 W HN 0.687 8.701 8.180 -0.277 0.000 0.483 93 S N 2.320 117.991 115.700 -0.049 0.000 2.561 93 S HA 0.805 5.424 4.470 0.013 -0.141 0.303 93 S C -1.028 173.611 174.600 0.065 0.000 1.110 93 S CA -1.306 56.898 58.200 0.006 0.000 1.034 93 S CB 1.604 64.804 63.200 -0.001 0.000 1.010 93 S HN 0.271 8.579 8.310 -0.003 0.000 0.482 94 G N 3.713 112.577 108.800 0.107 0.000 2.510 94 G HA2 0.547 4.572 3.960 0.110 0.000 0.277 94 G HA3 0.547 4.761 3.960 0.173 -0.151 0.277 94 G C -3.490 171.503 174.900 0.155 0.000 1.223 94 G CA 0.884 46.067 45.100 0.138 0.000 0.887 94 G HN 0.542 8.903 8.290 0.117 0.000 0.485 95 Q N -2.953 116.947 119.800 0.166 0.000 2.418 95 Q HA 0.838 5.472 4.340 0.194 -0.177 0.282 95 Q C -2.608 173.508 176.000 0.194 0.000 1.044 95 Q CA -1.933 53.974 55.803 0.173 0.000 0.813 95 Q CB 4.466 33.281 28.738 0.128 0.000 1.428 95 Q HN -0.130 8.241 8.270 0.168 0.000 0.402 96 Y N 2.942 123.287 120.300 0.075 0.000 2.342 96 Y HA 0.687 5.431 4.550 0.041 -0.170 0.334 96 Y C -2.268 173.682 175.900 0.084 0.000 1.067 96 Y CA -1.705 56.426 58.100 0.052 0.000 1.128 96 Y CB 2.750 41.213 38.460 0.004 0.000 1.200 96 Y HN 0.599 8.954 8.280 0.305 0.109 0.464 97 V N 6.881 126.461 119.914 -0.557 0.000 2.443 97 V HA 0.329 4.281 4.120 -0.281 0.000 0.293 97 V C -1.076 174.593 176.094 -0.708 0.000 1.021 97 V CA -1.299 60.753 62.300 -0.413 0.000 0.848 97 V CB 2.955 34.696 31.823 -0.138 0.000 0.998 97 V HN 0.634 8.497 8.190 -0.546 0.000 0.424 98 G N 4.069 112.510 108.800 -0.599 0.000 2.568 98 G HA2 0.512 4.269 3.960 -0.338 0.000 0.293 98 G HA3 0.512 4.435 3.960 -0.063 0.000 0.293 98 G C -0.984 173.869 174.900 -0.080 0.000 1.347 98 G CA -1.506 43.413 45.100 -0.301 0.000 1.039 98 G HN 0.151 8.223 8.290 -0.363 0.000 0.523 99 G N -1.761 107.043 108.800 0.006 0.000 2.280 99 G HA2 -0.172 3.802 3.960 0.023 0.000 0.277 99 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.277 99 G C -0.685 174.226 174.900 0.018 0.000 1.288 99 G CA -0.563 44.545 45.100 0.012 0.000 1.075 99 G HN -0.149 8.171 8.290 0.050 0.000 0.480 100 A N 1.430 124.258 122.820 0.014 0.000 1.858 100 A HA -0.123 4.203 4.320 0.010 0.000 0.216 100 A C -0.013 177.579 177.584 0.014 0.000 1.190 100 A CA 1.710 53.754 52.037 0.012 0.000 0.617 100 A CB 0.165 19.172 19.000 0.011 0.000 0.827 100 A HN 0.224 8.381 8.150 0.012 0.000 0.443 101 E N -1.835 118.377 120.200 0.020 0.000 2.102 101 E HA 0.121 4.490 4.350 0.032 0.000 0.263 101 E C -1.576 175.054 176.600 0.049 0.000 0.894 101 E CA -1.240 55.182 56.400 0.036 0.000 0.746 101 E CB 0.272 29.997 29.700 0.040 0.000 1.129 101 E HN -0.336 8.034 8.360 0.017 0.000 0.416 102 A N 5.424 128.291 122.820 0.077 0.000 2.310 102 A HA 0.524 4.995 4.320 -0.005 -0.154 0.299 102 A C -0.812 176.947 177.584 0.292 0.000 1.147 102 A CA -0.761 51.347 52.037 0.118 0.000 0.818 102 A CB 1.712 20.850 19.000 0.230 0.000 1.096 102 A HN 0.366 8.552 8.150 0.059 0.000 0.495 103 R N -0.823 119.801 120.500 0.208 0.000 2.740 103 R HA 0.872 5.700 4.340 0.504 -0.186 0.273 103 R C -1.623 174.770 176.300 0.156 0.000 0.998 103 R CA -1.363 54.908 56.100 0.286 0.000 0.900 103 R CB 5.013 35.420 30.300 0.178 0.000 1.223 103 R HN 0.523 8.788 8.270 -0.008 0.000 0.466 104 I N 1.158 121.848 120.570 0.200 0.000 2.439 104 I HA 0.488 4.945 4.170 0.140 -0.202 0.283 104 I C -1.768 174.533 176.117 0.307 0.000 1.023 104 I CA -1.229 60.166 61.300 0.159 0.000 1.100 104 I CB 1.951 39.922 38.000 -0.048 0.000 1.238 104 I HN -0.002 8.403 8.210 0.325 0.000 0.445 105 N N 9.696 128.539 118.700 0.238 0.000 2.437 105 N HA 0.452 5.347 4.740 0.258 0.000 0.259 105 N C -0.810 174.849 175.510 0.248 0.000 0.983 105 N CA 0.088 53.275 53.050 0.228 0.000 0.937 105 N CB 2.102 40.674 38.487 0.142 0.000 1.122 105 N HN 0.135 8.627 8.380 0.187 0.000 0.499 106 T N 0.407 115.151 114.554 0.316 0.000 2.888 106 T HA 0.684 5.297 4.350 0.212 -0.136 0.288 106 T C -1.206 173.643 174.700 0.249 0.000 1.063 106 T CA -2.470 59.811 62.100 0.302 0.000 1.010 106 T CB 3.396 72.536 68.868 0.453 0.000 1.214 106 T HN 0.669 9.120 8.240 0.352 0.000 0.533 107 Q N -0.461 119.429 119.800 0.150 0.000 2.372 107 Q HA 0.729 5.188 4.340 -0.088 -0.171 0.273 107 Q C -1.556 174.420 176.000 -0.039 0.000 1.078 107 Q CA -0.884 54.903 55.803 -0.027 0.000 0.806 107 Q CB 4.697 33.394 28.738 -0.068 0.000 1.332 107 Q HN -0.074 8.279 8.270 0.137 0.000 0.435 108 W N -1.011 120.177 121.300 -0.187 0.000 2.975 108 W HA 0.974 5.529 4.660 -0.420 -0.147 0.342 108 W C -2.886 173.440 176.519 -0.322 0.000 1.168 108 W CA -2.979 54.115 57.345 -0.418 0.000 1.141 108 W CB 3.334 32.283 29.460 -0.852 0.000 1.445 108 W HN 0.889 8.508 8.180 -0.761 0.104 0.560 109 L N -0.618 120.644 121.223 0.065 0.000 2.381 109 L HA 0.726 5.282 4.340 0.040 -0.192 0.274 109 L C -1.799 175.109 176.870 0.064 0.000 0.988 109 L CA -1.165 53.702 54.840 0.045 0.000 0.824 109 L CB 2.976 45.007 42.059 -0.046 0.000 1.263 109 L HN 0.278 8.468 8.230 -0.068 0.000 0.410 110 L N 5.474 126.783 121.223 0.144 0.000 2.316 110 L HA 0.699 5.182 4.340 -0.050 -0.172 0.280 110 L C -1.740 175.137 176.870 0.011 0.000 1.006 110 L CA -1.659 53.195 54.840 0.023 0.000 0.836 110 L CB 2.909 44.962 42.059 -0.011 0.000 1.221 110 L HN 0.825 9.177 8.230 0.203 0.000 0.418 111 T N 9.875 124.428 114.554 -0.001 0.000 2.794 111 T HA 0.621 5.159 4.350 -0.018 -0.199 0.280 111 T C -0.719 173.986 174.700 0.009 0.000 0.987 111 T CA -0.349 61.748 62.100 -0.006 0.000 0.993 111 T CB 1.740 70.604 68.868 -0.007 0.000 0.939 111 T HN 0.510 8.750 8.240 -0.001 0.000 0.449 112 S N 6.100 121.795 115.700 -0.008 0.000 2.593 112 S HA 0.517 5.150 4.470 0.045 -0.136 0.297 112 S C -0.062 174.543 174.600 0.008 0.000 1.112 112 S CA -1.412 56.794 58.200 0.010 0.000 1.043 112 S CB 1.982 65.171 63.200 -0.018 0.000 1.054 112 S HN 0.161 8.454 8.310 -0.029 0.000 0.516 113 G N 0.793 109.612 108.800 0.032 0.000 2.370 113 G HA2 0.081 4.042 3.960 0.001 0.000 0.272 113 G HA3 0.081 4.047 3.960 0.011 0.000 0.272 113 G C -1.401 173.485 174.900 -0.022 0.000 1.208 113 G CA 0.205 45.308 45.100 0.006 0.000 0.856 113 G HN 0.111 8.445 8.290 0.074 0.000 0.500 114 T N 0.902 115.437 114.554 -0.032 0.000 2.831 114 T HA 0.314 4.637 4.350 -0.045 0.000 0.287 114 T C -0.743 173.939 174.700 -0.030 0.000 1.070 114 T CA -1.765 60.310 62.100 -0.042 0.000 1.010 114 T CB 2.586 71.415 68.868 -0.065 0.000 1.264 114 T HN -0.177 8.048 8.240 -0.026 0.000 0.532 115 T N -3.266 111.274 114.554 -0.023 0.000 2.881 115 T HA 0.106 4.450 4.350 -0.010 0.000 0.278 115 T C 1.141 175.846 174.700 0.008 0.000 0.982 115 T CA -1.644 60.451 62.100 -0.008 0.000 0.989 115 T CB 1.419 70.286 68.868 -0.002 0.000 1.058 115 T HN -0.118 8.105 8.240 -0.028 0.000 0.529 116 E N 1.065 121.276 120.200 0.019 0.000 2.070 116 E HA -0.421 3.949 4.350 0.034 0.000 0.197 116 E C 2.530 179.172 176.600 0.070 0.000 1.004 116 E CA 3.702 60.124 56.400 0.037 0.000 0.805 116 E CB -0.732 28.987 29.700 0.031 0.000 0.744 116 E HN 0.513 8.881 8.360 0.013 0.000 0.451 117 A N -1.027 121.836 122.820 0.071 0.000 1.986 117 A HA -0.197 4.199 4.320 0.126 0.000 0.220 117 A C 0.653 178.354 177.584 0.195 0.000 1.171 117 A CA 2.622 54.730 52.037 0.118 0.000 0.640 117 A CB -0.621 18.433 19.000 0.089 0.000 0.811 117 A HN 0.278 8.449 8.150 0.049 0.008 0.451 118 N N -3.964 114.789 118.700 0.090 0.000 2.203 118 N HA 0.121 4.856 4.740 -0.009 0.000 0.207 118 N C 0.773 176.194 175.510 -0.148 0.000 1.130 118 N CA -0.173 52.853 53.050 -0.039 0.000 0.861 118 N CB 0.651 39.078 38.487 -0.100 0.000 1.005 118 N HN -0.618 7.660 8.380 0.048 0.131 0.507 119 A N 1.219 124.040 122.820 0.001 0.000 2.024 119 A HA -0.129 4.158 4.320 -0.054 0.000 0.220 119 A C 1.734 179.315 177.584 -0.005 0.000 1.164 119 A CA 3.004 55.036 52.037 -0.009 0.000 0.643 119 A CB -0.446 18.581 19.000 0.045 0.000 0.806 119 A HN -0.201 7.802 8.150 0.073 0.192 0.451 120 W N -4.900 116.396 121.300 -0.006 0.000 2.392 120 W HA -0.221 4.433 4.660 -0.009 0.000 0.279 120 W C -0.267 176.247 176.519 -0.009 0.000 1.225 120 W CA 0.611 57.951 57.345 -0.008 0.000 1.233 120 W CB -0.902 28.553 29.460 -0.008 0.000 1.122 120 W HN -0.051 8.291 8.180 0.310 0.025 0.561 121 K N -1.744 118.170 120.400 -0.810 0.000 2.861 121 K HA 0.400 4.437 4.320 -0.472 0.000 0.210 121 K C 0.051 176.411 176.600 -0.400 0.000 1.112 121 K CA -0.529 55.300 56.287 -0.763 0.000 1.076 121 K CB -0.583 31.074 32.500 -1.406 0.000 0.853 121 K HN -0.687 6.932 8.250 -1.000 0.030 0.463 122 S N -0.991 114.564 115.700 -0.242 0.000 2.501 122 S HA -0.065 4.311 4.470 -0.157 0.000 0.220 122 S C -0.502 174.042 174.600 -0.094 0.000 0.997 122 S CA 1.339 59.452 58.200 -0.145 0.000 0.919 122 S CB 0.844 63.991 63.200 -0.088 0.000 0.778 122 S HN -0.316 7.812 8.310 -0.200 0.062 0.523 123 T N 4.169 118.672 114.554 -0.084 0.000 2.786 123 T HA 0.653 5.223 4.350 -0.033 -0.239 0.283 123 T C -0.681 173.994 174.700 -0.041 0.000 0.992 123 T CA -0.208 61.864 62.100 -0.048 0.000 0.954 123 T CB 2.000 70.846 68.868 -0.036 0.000 0.934 123 T HN -0.725 7.456 8.240 -0.099 0.000 0.440 124 L N 7.469 128.693 121.223 0.002 0.000 2.343 124 L HA 0.364 4.682 4.340 -0.036 0.000 0.275 124 L C -1.632 175.212 176.870 -0.044 0.000 1.056 124 L CA -0.809 54.043 54.840 0.020 0.000 0.804 124 L CB 1.714 43.864 42.059 0.152 0.000 1.203 124 L HN 0.666 8.912 8.230 0.027 0.000 0.440 125 V N 1.394 121.143 119.914 -0.276 0.000 2.823 125 V HA 0.975 4.950 4.120 -0.592 -0.210 0.312 125 V C -0.935 174.501 176.094 -1.096 0.000 1.072 125 V CA -2.824 59.129 62.300 -0.577 0.000 0.937 125 V CB 3.180 34.808 31.823 -0.325 0.000 1.013 125 V HN -0.030 8.024 8.190 -0.227 0.000 0.430 126 G N 4.501 112.209 108.800 -1.820 0.000 2.619 126 G HA2 0.241 3.688 3.960 -0.855 0.000 0.305 126 G HA3 0.241 2.893 3.960 -2.181 0.000 0.305 126 G C -3.306 170.820 174.900 -1.290 0.000 1.330 126 G CA 0.352 44.435 45.100 -1.694 0.000 0.789 126 G HN -0.043 7.196 8.290 -1.752 0.000 0.487 127 H N -3.744 114.995 119.070 -0.551 0.000 2.865 127 H HA 0.473 5.027 4.556 -0.156 -0.091 0.362 127 H C -2.292 173.164 175.328 0.215 0.000 1.114 127 H CA -1.554 54.416 56.048 -0.131 0.000 1.208 127 H CB 3.491 33.193 29.762 -0.100 0.000 1.727 127 H HN 0.062 7.885 8.280 -0.763 0.000 0.534 128 D N 2.066 122.723 120.400 0.428 0.000 2.671 128 D HA 0.341 5.221 4.640 0.161 -0.143 0.232 128 D C -1.296 175.093 176.300 0.148 0.000 1.114 128 D CA -0.717 53.433 54.000 0.250 0.000 0.858 128 D CB 4.633 45.551 40.800 0.197 0.000 1.544 128 D HN -0.040 8.617 8.370 0.479 0.000 0.471 129 T N 3.940 118.488 114.554 -0.010 0.000 2.812 129 T HA 0.649 5.292 4.350 0.218 -0.162 0.282 129 T C -1.093 173.591 174.700 -0.028 0.000 0.990 129 T CA -0.185 61.969 62.100 0.090 0.000 0.960 129 T CB 1.661 70.606 68.868 0.128 0.000 0.948 129 T HN 0.347 8.860 8.240 -0.065 -0.312 0.438 130 F N 6.784 126.902 119.950 0.279 0.000 2.492 130 F HA 0.854 5.816 4.527 0.366 -0.215 0.327 130 F C -0.196 175.912 175.800 0.512 0.000 1.079 130 F CA -1.548 56.675 58.000 0.372 0.000 0.967 130 F CB 3.481 42.680 39.000 0.331 0.000 1.169 130 F HN 0.751 9.354 8.300 0.504 0.000 0.472 131 T N -3.821 111.170 114.554 0.729 0.000 2.865 131 T HA 0.552 5.294 4.350 0.654 0.000 0.294 131 T C 0.052 174.990 174.700 0.396 0.000 1.119 131 T CA -1.908 60.519 62.100 0.546 0.000 1.007 131 T CB 3.495 72.541 68.868 0.297 0.000 1.225 131 T HN 0.663 9.309 8.240 0.676 0.000 0.515 132 K N 1.237 121.653 120.400 0.027 0.000 2.410 132 K HA 0.246 4.628 4.320 -0.133 -0.142 0.200 132 K C -1.131 175.531 176.600 0.104 0.000 1.023 132 K CA 0.587 56.793 56.287 -0.135 0.000 1.149 132 K CB 0.392 32.614 32.500 -0.463 0.000 0.859 132 K HN 0.570 8.816 8.250 -0.006 0.000 0.514 133 V N 0.000 120.001 119.914 0.146 0.000 2.409 133 V HA 0.000 4.126 4.120 0.010 0.000 0.244 133 V CA 0.000 62.331 62.300 0.052 0.000 1.235 133 V CB 0.000 31.846 31.823 0.038 0.000 1.184 133 V HN 0.000 8.196 8.190 0.178 0.101 0.556