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 2rtd_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 A HA 0.000 4.423 4.320 0.171 0.000 0.244 13 A C 0.000 177.515 177.584 -0.114 0.000 1.274 13 A CA 0.000 52.083 52.037 0.076 0.000 0.836 13 A CB 0.000 19.055 19.000 0.091 0.000 0.831 14 E N 3.480 123.661 120.200 -0.031 0.000 2.058 14 E HA -0.427 3.642 4.350 -0.468 0.000 0.194 14 E C 1.312 177.801 176.600 -0.186 0.000 0.997 14 E CA 3.664 59.960 56.400 -0.174 0.000 0.801 14 E CB -0.661 29.055 29.700 0.027 0.000 0.746 14 E HN 0.731 9.155 8.360 0.106 0.000 0.450 15 A N -0.630 122.135 122.820 -0.092 0.000 1.883 15 A HA -0.308 3.962 4.320 -0.084 0.000 0.217 15 A C 2.428 179.959 177.584 -0.089 0.000 1.186 15 A CA 2.806 54.798 52.037 -0.076 0.000 0.624 15 A CB -1.158 17.825 19.000 -0.028 0.000 0.822 15 A HN 0.289 8.414 8.150 -0.042 0.000 0.444 16 G N -2.256 106.496 108.800 -0.080 0.000 2.422 16 G HA2 -0.206 3.789 3.960 0.058 0.000 0.218 16 G HA3 -0.206 3.811 3.960 0.095 0.000 0.218 16 G C 1.784 176.598 174.900 -0.144 0.000 1.146 16 G CA 1.522 46.611 45.100 -0.019 0.000 0.769 16 G HN 0.125 8.376 8.290 -0.065 0.000 0.547 17 I N 1.524 121.843 120.570 -0.419 0.000 2.406 17 I HA -0.273 3.821 4.170 -0.126 0.000 0.249 17 I C -0.031 176.048 176.117 -0.065 0.000 1.122 17 I CA 2.583 63.682 61.300 -0.335 0.000 1.431 17 I CB 0.272 37.872 38.000 -0.666 0.000 1.087 17 I HN -0.458 7.383 8.210 -0.459 0.093 0.424 18 T N 1.895 116.344 114.554 -0.175 0.000 2.934 18 T HA -0.346 4.057 4.350 -0.211 -0.179 0.306 18 T C -0.126 174.488 174.700 -0.143 0.000 1.042 18 T CA 3.399 65.400 62.100 -0.166 0.000 1.145 18 T CB 0.016 68.787 68.868 -0.162 0.000 0.982 18 T HN -0.273 7.831 8.240 -0.225 0.000 0.544 19 G N 5.170 113.854 108.800 -0.194 0.000 2.350 19 G HA2 -0.096 3.710 3.960 -0.256 0.000 0.282 19 G HA3 -0.096 3.629 3.960 -0.391 0.000 0.282 19 G C -3.002 171.685 174.900 -0.355 0.000 1.314 19 G CA 0.222 45.143 45.100 -0.299 0.000 0.915 19 G HN 0.052 8.211 8.290 -0.220 0.000 0.499 20 T N 2.265 116.541 114.554 -0.463 0.000 2.797 20 T HA 0.797 5.077 4.350 -0.384 -0.161 0.279 20 T C -1.103 173.238 174.700 -0.597 0.000 0.991 20 T CA 0.454 62.284 62.100 -0.450 0.000 0.979 20 T CB 1.940 70.588 68.868 -0.367 0.000 0.943 20 T HN 0.251 8.203 8.240 -0.481 0.000 0.444 21 W N 4.239 125.244 121.300 -0.491 0.000 2.950 21 W HA 0.552 5.315 4.660 -0.116 -0.172 0.340 21 W C -1.827 174.484 176.519 -0.346 0.000 1.139 21 W CA -1.204 56.004 57.345 -0.227 0.000 1.188 21 W CB 3.969 33.455 29.460 0.043 0.000 1.426 21 W HN 0.869 8.888 8.180 -0.269 0.000 0.531 22 Y N -2.490 118.115 120.300 0.509 0.000 2.576 22 Y HA 0.895 5.856 4.550 0.349 -0.202 0.346 22 Y C -1.139 174.984 175.900 0.370 0.000 1.018 22 Y CA -1.859 56.459 58.100 0.363 0.000 1.050 22 Y CB 4.116 42.681 38.460 0.177 0.000 1.280 22 Y HN 0.596 9.201 8.280 0.541 0.000 0.474 23 N N -0.524 118.377 118.700 0.336 0.000 2.653 23 N HA 0.706 5.595 4.740 -0.049 -0.179 0.294 23 N C 1.878 177.416 175.510 0.046 0.000 1.305 23 N CA -2.793 50.228 53.050 -0.048 0.000 0.827 23 N CB 2.265 40.395 38.487 -0.595 0.000 1.415 23 N HN -0.166 8.443 8.380 0.381 0.000 0.546 24 Q N -0.558 119.239 119.800 -0.006 0.000 2.308 24 Q HA -0.216 4.153 4.340 0.047 0.000 0.209 24 Q C 0.321 176.346 176.000 0.042 0.000 0.985 24 Q CA 2.545 58.367 55.803 0.032 0.000 0.881 24 Q CB -0.765 27.990 28.738 0.029 0.000 0.917 24 Q HN 0.280 8.506 8.270 -0.073 0.000 0.443 25 L N -2.744 118.511 121.223 0.052 0.000 2.509 25 L HA 0.142 4.510 4.340 0.047 0.000 0.222 25 L C 0.797 177.709 176.870 0.070 0.000 1.123 25 L CA -0.038 54.840 54.840 0.063 0.000 0.856 25 L CB 0.571 42.679 42.059 0.082 0.000 0.985 25 L HN -0.301 8.164 8.230 0.044 -0.208 0.456 26 G N -2.195 106.660 108.800 0.091 0.000 2.134 26 G HA2 -0.334 3.661 3.960 0.059 0.000 0.209 26 G HA3 -0.334 3.652 3.960 0.043 0.000 0.209 26 G C -0.660 174.332 174.900 0.152 0.000 0.993 26 G CA -0.270 44.880 45.100 0.082 0.000 0.669 26 G HN -0.192 8.117 8.290 0.103 0.043 0.519 27 S N 0.759 116.581 115.700 0.203 0.000 2.617 27 S HA 0.196 4.818 4.470 0.160 -0.056 0.269 27 S C -1.021 173.715 174.600 0.227 0.000 1.292 27 S CA 1.253 59.565 58.200 0.187 0.000 1.010 27 S CB 1.766 65.117 63.200 0.251 0.000 0.944 27 S HN -0.581 8.094 8.310 0.195 -0.247 0.536 28 T N 3.866 118.428 114.554 0.014 0.000 2.829 28 T HA 0.660 5.130 4.350 -0.066 -0.159 0.280 28 T C -1.661 172.815 174.700 -0.373 0.000 0.999 28 T CA -0.225 61.827 62.100 -0.080 0.000 0.983 28 T CB 1.969 70.865 68.868 0.047 0.000 0.968 28 T HN 0.767 8.849 8.240 -0.086 0.107 0.446 29 F N 8.307 127.949 119.950 -0.514 0.000 2.539 29 F HA 0.697 5.016 4.527 -0.589 -0.144 0.328 29 F C -3.120 172.463 175.800 -0.363 0.000 1.148 29 F CA -2.387 55.275 58.000 -0.562 0.000 0.940 29 F CB 3.482 42.028 39.000 -0.757 0.000 1.194 29 F HN 0.799 8.947 8.300 -0.253 0.000 0.438 30 I N 8.229 128.493 120.570 -0.510 0.000 2.389 30 I HA 0.651 4.715 4.170 -0.457 -0.169 0.288 30 I C -2.361 173.389 176.117 -0.611 0.000 0.999 30 I CA -1.071 59.947 61.300 -0.470 0.000 1.129 30 I CB 2.514 40.352 38.000 -0.269 0.000 1.288 30 I HN 0.808 8.803 8.210 -0.359 0.000 0.444 31 V N 7.664 127.187 119.914 -0.651 0.000 3.114 31 V HA 0.892 4.899 4.120 -0.472 -0.170 0.308 31 V C -2.340 173.531 176.094 -0.372 0.000 1.168 31 V CA -3.027 58.914 62.300 -0.599 0.000 1.015 31 V CB 4.947 36.146 31.823 -1.040 0.000 1.050 31 V HN 0.531 8.395 8.190 -0.543 0.000 0.433 32 T N 6.662 121.046 114.554 -0.283 0.000 2.881 32 T HA 0.347 4.573 4.350 -0.207 0.000 0.290 32 T C -2.226 172.365 174.700 -0.182 0.000 1.000 32 T CA -0.618 61.362 62.100 -0.200 0.000 0.978 32 T CB 2.687 71.472 68.868 -0.138 0.000 0.997 32 T HN 0.319 8.396 8.240 -0.271 0.000 0.443 33 A N 6.509 129.213 122.820 -0.192 0.000 2.276 33 A HA 0.830 5.263 4.320 -0.114 -0.181 0.316 33 A C -0.849 176.745 177.584 0.017 0.000 1.229 33 A CA -2.050 49.882 52.037 -0.175 0.000 0.851 33 A CB 1.594 20.279 19.000 -0.525 0.000 1.165 33 A HN 0.443 8.476 8.150 -0.195 0.000 0.513 34 G N 0.886 109.770 108.800 0.140 0.000 2.476 34 G HA2 0.207 4.200 3.960 0.055 0.000 0.286 34 G HA3 0.207 4.329 3.960 0.080 -0.114 0.286 34 G C 0.109 175.106 174.900 0.162 0.000 1.177 34 G CA -1.396 43.768 45.100 0.106 0.000 0.870 34 G HN 0.586 8.866 8.290 0.195 0.127 0.528 35 A N 0.696 123.570 122.820 0.089 0.000 2.178 35 A HA -0.176 4.210 4.320 0.111 0.000 0.218 35 A C 0.848 178.441 177.584 0.014 0.000 1.157 35 A CA 2.068 54.146 52.037 0.069 0.000 0.689 35 A CB -0.199 18.822 19.000 0.035 0.000 0.787 35 A HN 0.557 8.741 8.150 0.057 0.000 0.465 36 D N -6.203 114.200 120.400 0.005 0.000 2.328 36 D HA -0.144 4.466 4.640 -0.051 0.000 0.221 36 D C 0.194 176.419 176.300 -0.124 0.000 1.072 36 D CA -0.788 53.186 54.000 -0.043 0.000 0.850 36 D CB -0.905 39.885 40.800 -0.016 0.000 0.922 36 D HN -0.247 8.064 8.370 0.036 0.081 0.516 37 G N -1.999 106.664 108.800 -0.228 0.000 2.141 37 G HA2 -0.454 2.486 3.960 -1.700 0.000 0.231 37 G HA3 -0.454 3.222 3.960 -0.474 0.000 0.231 37 G C -1.442 173.396 174.900 -0.104 0.000 0.984 37 G CA 0.089 44.822 45.100 -0.611 0.000 0.660 37 G HN 0.044 8.120 8.290 -0.098 0.156 0.525 38 A N -0.164 122.732 122.820 0.126 0.000 2.279 38 A HA 0.588 4.987 4.320 0.131 0.000 0.303 38 A C -1.700 176.021 177.584 0.227 0.000 1.108 38 A CA -1.549 50.583 52.037 0.158 0.000 0.830 38 A CB 2.608 21.655 19.000 0.080 0.000 1.106 38 A HN -0.589 7.786 8.150 0.117 -0.155 0.493 39 L N 0.345 121.655 121.223 0.144 0.000 2.409 39 L HA 0.931 5.480 4.340 -0.011 -0.215 0.272 39 L C -0.601 176.272 176.870 0.005 0.000 0.980 39 L CA -1.174 53.696 54.840 0.049 0.000 0.826 39 L CB 3.325 45.422 42.059 0.063 0.000 1.268 39 L HN -0.077 8.230 8.230 0.129 0.000 0.407 40 T N 2.970 117.487 114.554 -0.062 0.000 2.903 40 T HA 0.881 5.387 4.350 -0.027 -0.172 0.299 40 T C -0.934 173.689 174.700 -0.128 0.000 1.093 40 T CA -1.418 60.647 62.100 -0.059 0.000 1.002 40 T CB 3.548 72.393 68.868 -0.038 0.000 1.127 40 T HN 0.401 8.579 8.240 -0.103 0.000 0.488 41 G N 0.886 109.620 108.800 -0.110 0.000 2.360 41 G HA2 0.302 4.174 3.960 -0.148 0.000 0.276 41 G HA3 0.302 4.315 3.960 -0.254 -0.206 0.276 41 G C -2.782 172.068 174.900 -0.084 0.000 1.256 41 G CA 0.960 45.967 45.100 -0.155 0.000 0.890 41 G HN -0.215 8.038 8.290 -0.063 0.000 0.486 42 T N -2.271 112.231 114.554 -0.086 0.000 2.896 42 T HA 0.982 5.547 4.350 0.058 -0.181 0.297 42 T C -2.545 172.203 174.700 0.078 0.000 1.108 42 T CA -2.089 60.021 62.100 0.017 0.000 1.004 42 T CB 3.755 72.626 68.868 0.005 0.000 1.159 42 T HN 0.161 8.303 8.240 -0.163 0.000 0.499 43 Y N 1.288 121.628 120.300 0.066 0.000 2.477 43 Y HA 0.680 5.477 4.550 0.108 -0.182 0.347 43 Y C -2.688 173.373 175.900 0.268 0.000 0.981 43 Y CA -1.763 56.414 58.100 0.128 0.000 1.033 43 Y CB 4.522 43.015 38.460 0.055 0.000 1.245 43 Y HN 0.694 9.142 8.280 0.279 0.000 0.455 44 E N 7.144 127.403 120.200 0.097 0.000 2.218 44 E HA 0.488 5.145 4.350 0.512 0.000 0.263 44 E C -2.324 174.440 176.600 0.272 0.000 0.879 44 E CA -1.610 54.961 56.400 0.285 0.000 0.762 44 E CB 4.134 33.922 29.700 0.146 0.000 1.166 44 E HN 0.843 8.875 8.360 -0.375 0.104 0.415 45 S N 7.530 123.514 115.700 0.474 0.000 2.489 45 S HA 0.211 4.935 4.470 0.424 0.000 0.291 45 S C -0.113 174.603 174.600 0.193 0.000 1.151 45 S CA -1.477 56.952 58.200 0.381 0.000 1.082 45 S CB 1.407 64.764 63.200 0.262 0.000 1.019 45 S HN 0.756 9.406 8.310 0.565 0.000 0.492 46 A N 7.221 130.131 122.820 0.149 0.000 2.119 46 A HA 0.046 4.417 4.320 0.086 0.000 0.216 46 A C -0.236 177.374 177.584 0.043 0.000 1.152 46 A CA 1.140 53.231 52.037 0.089 0.000 0.708 46 A CB 0.541 19.590 19.000 0.083 0.000 0.805 46 A HN 0.623 8.884 8.150 0.185 0.000 0.460 47 V N -6.277 113.645 119.914 0.013 0.000 3.102 47 V HA 0.405 4.508 4.120 -0.029 0.000 0.312 47 V C -0.144 175.869 176.094 -0.135 0.000 1.135 47 V CA -1.700 60.573 62.300 -0.045 0.000 1.022 47 V CB 2.776 34.574 31.823 -0.041 0.000 1.056 47 V HN -0.627 7.538 8.190 0.031 0.044 0.436 48 G N 2.595 111.311 108.800 -0.141 0.000 2.631 48 G HA2 -0.273 3.572 3.960 -0.192 0.000 0.504 48 G HA3 -0.273 3.475 3.960 -0.354 0.000 0.504 48 G C -0.825 173.969 174.900 -0.176 0.000 1.306 48 G CA -0.336 44.631 45.100 -0.222 0.000 0.897 48 G HN 0.398 8.631 8.290 -0.095 0.000 0.520 49 N N 2.353 120.924 118.700 -0.216 0.000 3.124 49 N HA 0.057 4.761 4.740 -0.060 0.000 0.284 49 N C -1.674 173.773 175.510 -0.106 0.000 1.209 49 N CA -0.609 52.370 53.050 -0.119 0.000 1.149 49 N CB -1.378 37.043 38.487 -0.109 0.000 1.434 49 N HN 0.218 8.421 8.380 -0.295 0.000 0.529 50 A N 1.271 124.070 122.820 -0.034 0.000 2.572 50 A HA 0.379 4.892 4.320 0.322 0.000 0.295 50 A C -2.472 175.272 177.584 0.267 0.000 1.072 50 A CA -0.913 51.215 52.037 0.150 0.000 0.691 50 A CB 2.870 21.829 19.000 -0.069 0.000 1.291 50 A HN -0.447 7.637 8.150 -0.033 0.046 0.404 51 E N 1.752 122.233 120.200 0.468 0.000 2.381 51 E HA 0.189 4.653 4.350 0.190 0.000 0.286 51 E C -1.156 175.535 176.600 0.153 0.000 0.960 51 E CA -0.553 55.988 56.400 0.235 0.000 0.793 51 E CB 2.583 32.349 29.700 0.110 0.000 1.225 51 E HN 0.450 9.317 8.360 0.845 0.000 0.420 52 S N 0.793 116.531 115.700 0.064 0.000 3.683 52 S HA -0.385 4.061 4.470 -0.040 0.000 0.636 52 S C -1.087 173.545 174.600 0.053 0.000 2.235 52 S CA 1.379 59.554 58.200 -0.043 0.000 2.445 52 S CB 0.359 63.421 63.200 -0.230 0.000 0.330 52 S HN 0.355 8.711 8.310 0.078 0.000 1.763 53 R N -0.824 119.657 120.500 -0.032 0.000 2.532 53 R HA 0.275 4.925 4.340 0.254 -0.157 0.272 53 R C -0.730 175.477 176.300 -0.153 0.000 1.032 53 R CA -0.313 55.819 56.100 0.054 0.000 1.089 53 R CB 1.297 31.620 30.300 0.039 0.000 1.098 53 R HN -0.156 8.073 8.270 -0.068 0.000 0.526 54 Y N -2.391 117.986 120.300 0.127 0.000 2.512 54 Y HA 0.193 4.780 4.550 0.062 0.000 0.348 54 Y C -0.728 175.180 175.900 0.014 0.000 0.990 54 Y CA -1.094 57.038 58.100 0.055 0.000 1.033 54 Y CB 3.168 41.613 38.460 -0.026 0.000 1.259 54 Y HN -0.056 8.451 8.280 0.379 0.000 0.461 55 V N 1.708 121.693 119.914 0.118 0.000 2.775 55 V HA 0.104 4.396 4.120 0.045 -0.145 0.299 55 V C -0.502 175.619 176.094 0.045 0.000 1.062 55 V CA 1.110 63.444 62.300 0.056 0.000 1.063 55 V CB 0.433 32.275 31.823 0.032 0.000 0.994 55 V HN 0.730 8.990 8.190 0.117 0.000 0.483 56 L N 0.672 121.920 121.223 0.040 0.000 2.409 56 L HA 1.038 5.599 4.340 0.078 -0.174 0.262 56 L C -1.657 175.249 176.870 0.060 0.000 0.992 56 L CA -1.443 53.438 54.840 0.068 0.000 0.817 56 L CB 4.283 46.388 42.059 0.078 0.000 1.350 56 L HN 0.255 8.498 8.230 0.022 0.000 0.411 57 T N 1.133 115.752 114.554 0.109 0.000 2.909 57 T HA 0.811 5.389 4.350 0.071 -0.186 0.299 57 T C -1.338 173.471 174.700 0.182 0.000 1.073 57 T CA -1.901 60.259 62.100 0.101 0.000 0.999 57 T CB 2.427 71.336 68.868 0.068 0.000 1.098 57 T HN -0.187 8.143 8.240 0.149 0.000 0.477 58 G N 2.231 111.138 108.800 0.178 0.000 2.554 58 G HA2 0.649 4.732 3.960 0.205 0.000 0.306 58 G HA3 0.649 4.942 3.960 0.344 -0.127 0.306 58 G C -2.990 172.026 174.900 0.194 0.000 1.320 58 G CA 0.653 45.894 45.100 0.235 0.000 0.800 58 G HN 0.069 8.438 8.290 0.132 0.000 0.481 59 R N -3.690 116.940 120.500 0.216 0.000 2.774 59 R HA 1.149 5.811 4.340 0.209 -0.196 0.272 59 R C -1.703 174.761 176.300 0.274 0.000 1.000 59 R CA -2.292 53.924 56.100 0.193 0.000 0.906 59 R CB 4.968 35.322 30.300 0.090 0.000 1.227 59 R HN 0.033 8.447 8.270 0.240 0.000 0.468 60 Y N -3.287 117.048 120.300 0.060 0.000 2.689 60 Y HA 0.592 5.311 4.550 0.079 -0.122 0.333 60 Y C -2.054 173.874 175.900 0.047 0.000 1.190 60 Y CA -2.529 55.608 58.100 0.061 0.000 1.063 60 Y CB 2.209 40.695 38.460 0.045 0.000 1.294 60 Y HN 0.403 8.683 8.280 0.000 0.000 0.466 61 D N 0.572 120.997 120.400 0.043 0.000 2.393 61 D HA 0.198 4.756 4.640 -0.138 0.000 0.232 61 D C 0.310 176.539 176.300 -0.120 0.000 1.192 61 D CA -1.058 52.906 54.000 -0.061 0.000 0.882 61 D CB 0.467 41.304 40.800 0.062 0.000 1.038 61 D HN -0.069 8.455 8.370 0.257 0.000 0.499 62 S N 5.142 120.607 115.700 -0.392 0.000 2.370 62 S HA -0.349 3.997 4.470 -0.206 0.000 0.226 62 S C 0.466 175.069 174.600 0.006 0.000 1.033 62 S CA 2.681 60.725 58.200 -0.260 0.000 1.011 62 S CB 0.087 63.116 63.200 -0.284 0.000 0.852 62 S HN -0.158 7.894 8.310 -0.430 0.000 0.457 63 A N 1.675 124.485 122.820 -0.017 0.000 2.838 63 A HA 0.541 4.891 4.320 0.049 0.000 0.337 63 A C -2.409 175.202 177.584 0.046 0.000 1.383 63 A CA -3.644 48.409 52.037 0.026 0.000 0.985 63 A CB -0.125 18.879 19.000 0.007 0.000 1.157 63 A HN -0.483 7.619 8.150 -0.068 0.007 0.497 64 P HA 0.110 4.797 4.420 0.085 -0.216 0.302 64 P C -1.084 176.256 177.300 0.067 0.000 1.301 64 P CA -0.332 62.823 63.100 0.091 0.000 0.770 64 P CB 1.240 33.021 31.700 0.135 0.000 1.458 65 A N -3.651 119.208 122.820 0.066 0.000 2.340 65 A HA 0.415 4.761 4.320 0.043 0.000 0.331 65 A C 0.450 178.065 177.584 0.051 0.000 1.140 65 A CA -1.926 50.141 52.037 0.050 0.000 0.801 65 A CB 2.603 21.628 19.000 0.043 0.000 1.234 65 A HN -0.334 7.861 8.150 0.076 0.000 0.469 66 T N 1.447 116.027 114.554 0.042 0.000 4.104 66 T HA -0.043 4.335 4.350 0.047 0.000 0.285 66 T C -1.452 173.269 174.700 0.035 0.000 1.346 66 T CA -0.171 61.953 62.100 0.040 0.000 1.158 66 T CB -1.540 67.349 68.868 0.034 0.000 1.290 66 T HN 0.413 8.685 8.240 0.037 -0.010 0.975 67 D N 1.641 122.064 120.400 0.039 0.000 2.838 67 D HA 0.011 4.668 4.640 0.028 0.000 0.334 67 D C -0.801 175.519 176.300 0.033 0.000 1.315 67 D CA -1.051 52.968 54.000 0.032 0.000 0.917 67 D CB 1.238 42.056 40.800 0.029 0.000 1.435 67 D HN 0.352 8.538 8.370 0.046 0.212 0.517 68 G N -1.889 106.928 108.800 0.027 0.000 3.939 68 G HA2 0.172 4.147 3.960 0.024 0.000 0.268 68 G HA3 0.172 4.143 3.960 0.018 0.000 0.268 68 G C -0.623 174.291 174.900 0.023 0.000 1.172 68 G CA -0.360 44.754 45.100 0.023 0.000 1.614 68 G HN -0.213 8.092 8.290 0.024 0.000 0.639 69 S N 2.026 117.745 115.700 0.033 0.000 2.718 69 S HA 0.187 4.675 4.470 0.030 0.000 0.300 69 S C -0.415 174.212 174.600 0.046 0.000 1.117 69 S CA -0.718 57.505 58.200 0.038 0.000 1.002 69 S CB 2.621 65.847 63.200 0.044 0.000 1.092 69 S HN -0.788 7.554 8.310 0.040 -0.008 0.542 70 G N -0.916 107.915 108.800 0.052 0.000 2.502 70 G HA2 0.219 4.288 3.960 0.041 0.000 0.305 70 G HA3 0.219 4.217 3.960 0.063 0.000 0.305 70 G C -1.002 173.971 174.900 0.123 0.000 1.190 70 G CA -0.914 44.227 45.100 0.069 0.000 0.933 70 G HN -0.004 8.316 8.290 0.049 0.000 0.503 71 T N 3.737 118.409 114.554 0.197 0.000 2.749 71 T HA 0.113 4.575 4.350 0.188 0.000 0.287 71 T C -0.966 173.866 174.700 0.219 0.000 0.970 71 T CA 0.348 62.591 62.100 0.238 0.000 0.980 71 T CB 1.074 70.154 68.868 0.353 0.000 0.924 71 T HN 0.316 8.583 8.240 0.225 0.108 0.456 72 A N 7.639 130.562 122.820 0.171 0.000 2.388 72 A HA 0.605 5.192 4.320 0.149 -0.177 0.257 72 A C -1.475 176.223 177.584 0.190 0.000 1.095 72 A CA -0.651 51.478 52.037 0.153 0.000 0.791 72 A CB 1.269 20.331 19.000 0.105 0.000 1.029 72 A HN 0.631 8.871 8.150 0.149 0.000 0.489 73 L N -4.856 116.480 121.223 0.188 0.000 2.892 73 L HA 0.906 5.476 4.340 0.220 -0.098 0.269 73 L C -1.378 175.608 176.870 0.193 0.000 1.058 73 L CA -0.653 54.325 54.840 0.230 0.000 0.923 73 L CB 2.967 45.202 42.059 0.292 0.000 1.518 73 L HN 0.115 8.443 8.230 0.162 0.000 0.402 74 G N -4.012 104.928 108.800 0.234 0.000 2.632 74 G HA2 0.709 4.805 3.960 -0.022 0.000 0.292 74 G HA3 0.709 4.671 3.960 0.053 0.029 0.292 74 G C -3.272 171.801 174.900 0.288 0.000 1.465 74 G CA 0.812 45.985 45.100 0.122 0.000 0.824 74 G HN -0.184 8.280 8.290 0.290 0.000 0.509 75 W N -3.147 118.221 121.300 0.113 0.000 3.074 75 W HA 0.718 5.515 4.660 0.075 -0.092 0.332 75 W C -3.068 173.540 176.519 0.148 0.000 1.253 75 W CA -1.723 55.676 57.345 0.090 0.000 1.180 75 W CB 2.155 31.634 29.460 0.032 0.000 1.445 75 W HN 0.226 8.220 8.180 -0.309 0.000 0.573 76 T N 1.245 115.976 114.554 0.296 0.000 2.893 76 T HA 0.867 5.479 4.350 0.112 -0.195 0.291 76 T C -1.469 173.326 174.700 0.158 0.000 1.028 76 T CA -0.659 61.537 62.100 0.161 0.000 0.995 76 T CB 2.961 71.865 68.868 0.061 0.000 1.051 76 T HN 0.732 9.174 8.240 0.337 0.000 0.470 77 V N 3.721 123.631 119.914 -0.007 0.000 2.569 77 V HA 0.308 4.455 4.120 -0.192 -0.142 0.301 77 V C -2.267 173.496 176.094 -0.551 0.000 1.044 77 V CA -1.107 61.003 62.300 -0.317 0.000 0.874 77 V CB 3.514 34.942 31.823 -0.659 0.000 1.002 77 V HN 0.291 8.461 8.190 -0.032 0.000 0.424 78 A N 5.554 128.143 122.820 -0.385 0.000 2.292 78 A HA 0.549 4.858 4.320 -0.221 -0.122 0.319 78 A C -0.044 177.348 177.584 -0.320 0.000 1.206 78 A CA -1.719 50.172 52.037 -0.243 0.000 0.835 78 A CB 1.690 20.655 19.000 -0.058 0.000 1.164 78 A HN 0.672 8.672 8.150 -0.249 0.000 0.505 79 W N 5.155 126.432 121.300 -0.038 0.000 1.694 79 W HA -0.053 4.413 4.660 -0.323 0.000 0.425 79 W C -1.427 175.168 176.519 0.127 0.000 0.615 79 W CA -1.236 56.035 57.345 -0.124 0.000 2.237 79 W CB -0.771 28.524 29.460 -0.274 0.000 1.478 79 W HN 0.710 8.904 8.180 0.024 0.000 0.427 80 K N 1.207 121.843 120.400 0.392 0.000 2.482 80 K HA 0.778 5.496 4.320 0.301 -0.217 0.251 80 K C -1.672 175.083 176.600 0.259 0.000 0.936 80 K CA -1.243 55.222 56.287 0.297 0.000 0.791 80 K CB 3.232 35.815 32.500 0.140 0.000 1.213 80 K HN -0.334 8.014 8.250 0.315 0.091 0.428 81 N N 4.688 123.469 118.700 0.135 0.000 3.439 81 N HA 0.228 4.949 4.740 -0.031 0.000 0.313 81 N C -0.673 174.786 175.510 -0.085 0.000 1.598 81 N CA -1.257 51.764 53.050 -0.049 0.000 0.830 81 N CB 0.829 39.135 38.487 -0.303 0.000 1.849 81 N HN 0.779 9.258 8.380 0.165 0.000 0.598 82 N N -1.418 117.151 118.700 -0.218 0.000 2.453 82 N HA -0.073 4.496 4.740 -0.284 0.000 0.183 82 N C 0.283 175.424 175.510 -0.615 0.000 1.041 82 N CA 2.552 55.325 53.050 -0.461 0.000 0.900 82 N CB 0.077 38.131 38.487 -0.722 0.000 0.961 82 N HN 0.155 8.424 8.380 -0.185 0.000 0.443 83 Y N -2.974 117.305 120.300 -0.036 0.000 2.522 83 Y HA 0.094 4.643 4.550 -0.002 0.000 0.277 83 Y C -0.563 175.351 175.900 0.025 0.000 1.104 83 Y CA 0.978 59.073 58.100 -0.008 0.000 1.260 83 Y CB 1.622 40.071 38.460 -0.018 0.000 1.151 83 Y HN -0.557 7.850 8.280 -0.094 -0.183 0.539 84 R N -1.614 118.998 120.500 0.187 0.000 2.707 84 R HA 0.199 4.608 4.340 0.114 0.000 0.272 84 R C -2.604 173.784 176.300 0.147 0.000 1.011 84 R CA -0.889 55.311 56.100 0.168 0.000 0.893 84 R CB 3.966 34.410 30.300 0.241 0.000 1.233 84 R HN 0.193 8.928 8.270 0.167 -0.364 0.464 85 N N 2.665 121.384 118.700 0.032 0.000 2.540 85 N HA 0.316 5.185 4.740 0.002 -0.128 0.275 85 N C -1.527 173.775 175.510 -0.347 0.000 1.053 85 N CA -0.156 52.815 53.050 -0.132 0.000 0.876 85 N CB 1.607 39.964 38.487 -0.218 0.000 1.284 85 N HN 0.395 8.782 8.380 0.012 0.000 0.518 86 A N 2.200 124.921 122.820 -0.164 0.000 2.195 86 A HA 0.053 4.289 4.320 -0.140 0.000 0.210 86 A C 0.304 177.825 177.584 -0.104 0.000 1.165 86 A CA 0.229 52.186 52.037 -0.134 0.000 0.806 86 A CB 0.682 19.661 19.000 -0.035 0.000 0.847 86 A HN 0.935 8.988 8.150 0.021 0.110 0.482 87 H N -3.707 115.426 119.070 0.104 0.000 2.826 87 H HA -0.328 4.274 4.556 0.077 0.000 0.306 87 H C -2.072 173.299 175.328 0.071 0.000 1.235 87 H CA 0.871 56.963 56.048 0.073 0.000 1.150 87 H CB -3.134 26.652 29.762 0.041 0.000 1.409 87 H HN -0.327 7.937 8.280 -0.243 -0.130 0.420 88 S N -4.915 110.895 115.700 0.183 0.000 2.638 88 S HA 0.915 5.579 4.470 0.123 -0.120 0.274 88 S C -2.468 172.287 174.600 0.259 0.000 1.157 88 S CA -1.203 57.104 58.200 0.177 0.000 0.826 88 S CB 4.336 67.601 63.200 0.108 0.000 1.139 88 S HN -0.484 7.942 8.310 0.194 0.000 0.474 89 A N -1.325 121.610 122.820 0.191 0.000 2.520 89 A HA 0.858 5.339 4.320 -0.001 -0.162 0.298 89 A C -2.327 175.287 177.584 0.050 0.000 1.051 89 A CA -0.473 51.611 52.037 0.077 0.000 0.690 89 A CB 3.913 22.912 19.000 -0.002 0.000 1.281 89 A HN 0.711 8.939 8.150 0.130 0.000 0.402 90 T N 4.190 118.720 114.554 -0.040 0.000 2.841 90 T HA 1.029 5.468 4.350 -0.214 -0.217 0.283 90 T C -0.689 173.794 174.700 -0.363 0.000 1.000 90 T CA -1.127 60.814 62.100 -0.265 0.000 0.977 90 T CB 2.531 71.087 68.868 -0.520 0.000 0.979 90 T HN 0.708 8.863 8.240 -0.142 0.000 0.446 91 T N 2.045 116.369 114.554 -0.384 0.000 2.863 91 T HA 0.793 5.237 4.350 -0.159 -0.190 0.285 91 T C -1.412 173.041 174.700 -0.412 0.000 1.009 91 T CA -2.035 59.908 62.100 -0.261 0.000 0.989 91 T CB 2.730 71.517 68.868 -0.136 0.000 1.004 91 T HN 0.614 8.647 8.240 -0.345 0.000 0.455 92 W N 4.031 124.967 121.300 -0.607 0.000 2.532 92 W HA 0.437 5.072 4.660 -0.273 -0.139 0.321 92 W C -1.400 174.789 176.519 -0.550 0.000 1.037 92 W CA -1.192 55.748 57.345 -0.675 0.000 1.220 92 W CB 3.213 31.774 29.460 -1.499 0.000 1.361 92 W HN 0.736 8.717 8.180 -0.332 0.000 0.468 93 S N 2.263 117.908 115.700 -0.093 0.000 2.500 93 S HA 0.832 5.419 4.470 -0.046 -0.145 0.301 93 S C -1.026 173.588 174.600 0.023 0.000 1.092 93 S CA -1.728 56.448 58.200 -0.040 0.000 1.030 93 S CB 1.747 64.931 63.200 -0.027 0.000 1.031 93 S HN 0.819 9.105 8.310 -0.039 0.000 0.483 94 G N 3.664 112.501 108.800 0.061 0.000 2.435 94 G HA2 0.595 4.609 3.960 0.089 0.000 0.296 94 G HA3 0.595 4.780 3.960 0.139 -0.142 0.296 94 G C -3.338 171.640 174.900 0.131 0.000 1.240 94 G CA 0.836 46.000 45.100 0.107 0.000 0.872 94 G HN 0.408 8.738 8.290 0.067 0.000 0.480 95 Q N -3.282 116.606 119.800 0.148 0.000 2.416 95 Q HA 0.870 5.503 4.340 0.183 -0.184 0.281 95 Q C -2.204 173.907 176.000 0.185 0.000 1.067 95 Q CA -1.834 54.065 55.803 0.159 0.000 0.809 95 Q CB 4.906 33.713 28.738 0.114 0.000 1.418 95 Q HN 0.173 8.533 8.270 0.150 0.000 0.411 96 Y N 3.301 123.653 120.300 0.086 0.000 2.330 96 Y HA 0.576 5.324 4.550 0.058 -0.163 0.336 96 Y C -2.379 173.583 175.900 0.104 0.000 1.036 96 Y CA -1.866 56.278 58.100 0.073 0.000 1.125 96 Y CB 2.690 41.177 38.460 0.045 0.000 1.194 96 Y HN 0.780 9.128 8.280 0.295 0.110 0.469 97 V N 8.027 127.596 119.914 -0.575 0.000 2.409 97 V HA 0.321 4.226 4.120 -0.357 0.000 0.290 97 V C -0.854 174.810 176.094 -0.716 0.000 1.017 97 V CA -1.344 60.682 62.300 -0.456 0.000 0.841 97 V CB 2.284 34.017 31.823 -0.150 0.000 1.003 97 V HN 0.620 8.543 8.190 -0.445 0.000 0.426 98 G N 4.737 113.100 108.800 -0.729 0.000 2.525 98 G HA2 0.504 4.300 3.960 -0.274 0.000 0.287 98 G HA3 0.504 4.421 3.960 -0.072 0.000 0.287 98 G C -0.695 174.159 174.900 -0.077 0.000 1.350 98 G CA -1.241 43.669 45.100 -0.318 0.000 1.039 98 G HN 0.269 8.232 8.290 -0.546 0.000 0.513 99 G N -2.514 106.300 108.800 0.024 0.000 2.293 99 G HA2 -0.214 3.763 3.960 0.028 0.000 0.282 99 G HA3 -0.214 3.751 3.960 0.008 0.000 0.282 99 G C -1.185 173.735 174.900 0.032 0.000 1.299 99 G CA -0.499 44.615 45.100 0.023 0.000 1.018 99 G HN -0.122 8.216 8.290 0.080 0.000 0.478 100 A N -0.705 122.129 122.820 0.023 0.000 1.933 100 A HA -0.084 4.245 4.320 0.015 0.000 0.218 100 A C 0.316 177.911 177.584 0.019 0.000 1.175 100 A CA 1.481 53.529 52.037 0.018 0.000 0.628 100 A CB 0.211 19.220 19.000 0.015 0.000 0.814 100 A HN 0.106 8.267 8.150 0.020 0.000 0.444 101 E N -0.895 119.323 120.200 0.030 0.000 2.149 101 E HA 0.126 4.497 4.350 0.035 0.000 0.255 101 E C -2.137 174.505 176.600 0.070 0.000 0.888 101 E CA -1.093 55.334 56.400 0.045 0.000 0.742 101 E CB 0.738 30.466 29.700 0.046 0.000 1.164 101 E HN -0.117 8.248 8.360 0.028 0.012 0.422 102 A N 4.987 127.867 122.820 0.101 0.000 2.304 102 A HA 0.348 4.849 4.320 0.072 -0.138 0.301 102 A C -1.021 176.787 177.584 0.372 0.000 1.132 102 A CA -0.747 51.402 52.037 0.186 0.000 0.819 102 A CB 2.219 21.406 19.000 0.311 0.000 1.094 102 A HN 0.310 8.498 8.150 0.063 0.000 0.492 103 R N -1.910 118.784 120.500 0.324 0.000 2.808 103 R HA 0.982 5.896 4.340 0.621 -0.202 0.272 103 R C -1.722 174.735 176.300 0.262 0.000 0.995 103 R CA -2.883 53.451 56.100 0.389 0.000 0.917 103 R CB 4.709 35.143 30.300 0.223 0.000 1.217 103 R HN 0.497 8.836 8.270 0.114 0.000 0.471 104 I N 0.718 121.439 120.570 0.251 0.000 2.468 104 I HA 0.506 4.987 4.170 0.163 -0.214 0.285 104 I C -1.780 174.511 176.117 0.291 0.000 1.039 104 I CA -1.046 60.358 61.300 0.174 0.000 1.074 104 I CB 2.958 40.925 38.000 -0.054 0.000 1.228 104 I HN 0.086 8.512 8.210 0.361 0.000 0.436 105 N N 9.335 128.170 118.700 0.225 0.000 2.408 105 N HA 0.583 5.460 4.740 0.228 0.000 0.280 105 N C -0.741 174.900 175.510 0.219 0.000 1.002 105 N CA -0.911 52.264 53.050 0.207 0.000 0.907 105 N CB 2.315 40.882 38.487 0.134 0.000 1.161 105 N HN 0.558 9.048 8.380 0.183 0.000 0.488 106 T N -0.147 114.568 114.554 0.268 0.000 2.865 106 T HA 0.770 5.360 4.350 0.174 -0.135 0.294 106 T C -1.310 173.523 174.700 0.222 0.000 1.119 106 T CA -1.873 60.382 62.100 0.259 0.000 1.007 106 T CB 3.288 72.397 68.868 0.402 0.000 1.225 106 T HN 0.639 9.051 8.240 0.286 0.000 0.515 107 Q N -0.062 119.813 119.800 0.126 0.000 2.375 107 Q HA 0.775 5.240 4.340 -0.065 -0.163 0.271 107 Q C -1.609 174.368 176.000 -0.040 0.000 1.074 107 Q CA -1.000 54.790 55.803 -0.021 0.000 0.808 107 Q CB 4.821 33.520 28.738 -0.065 0.000 1.327 107 Q HN 0.570 8.903 8.270 0.105 0.000 0.441 108 W N -0.998 120.183 121.300 -0.198 0.000 2.962 108 W HA 0.901 5.432 4.660 -0.422 -0.124 0.341 108 W C -3.055 173.268 176.519 -0.326 0.000 1.155 108 W CA -2.866 54.227 57.345 -0.422 0.000 1.165 108 W CB 3.451 32.386 29.460 -0.875 0.000 1.435 108 W HN 1.010 8.680 8.180 -0.667 0.110 0.546 109 L N -0.397 120.858 121.223 0.053 0.000 2.381 109 L HA 0.727 5.296 4.340 0.048 -0.201 0.274 109 L C -1.781 175.124 176.870 0.059 0.000 0.988 109 L CA -1.218 53.649 54.840 0.045 0.000 0.824 109 L CB 2.824 44.857 42.059 -0.042 0.000 1.263 109 L HN 0.495 8.678 8.230 -0.078 0.000 0.410 110 L N 5.881 127.188 121.223 0.140 0.000 2.318 110 L HA 0.682 5.166 4.340 -0.047 -0.172 0.277 110 L C -1.531 175.347 176.870 0.014 0.000 1.008 110 L CA -1.521 53.333 54.840 0.023 0.000 0.846 110 L CB 2.584 44.636 42.059 -0.011 0.000 1.220 110 L HN 0.740 9.097 8.230 0.211 0.000 0.423 111 T N 9.460 124.015 114.554 0.002 0.000 2.795 111 T HA 0.641 5.221 4.350 -0.014 -0.239 0.282 111 T C -0.615 174.091 174.700 0.011 0.000 0.980 111 T CA -0.143 61.956 62.100 -0.003 0.000 1.012 111 T CB 1.667 70.533 68.868 -0.004 0.000 0.936 111 T HN 0.664 8.904 8.240 0.001 0.000 0.457 112 S N 6.367 122.063 115.700 -0.007 0.000 2.593 112 S HA 0.447 5.071 4.470 0.041 -0.129 0.297 112 S C -0.201 174.403 174.600 0.006 0.000 1.112 112 S CA -0.262 57.943 58.200 0.008 0.000 1.043 112 S CB 2.198 65.385 63.200 -0.021 0.000 1.054 112 S HN 0.122 8.416 8.310 -0.028 0.000 0.516 113 G N 1.213 110.031 108.800 0.030 0.000 2.390 113 G HA2 0.059 4.020 3.960 0.002 0.000 0.270 113 G HA3 0.059 4.028 3.960 0.015 0.000 0.270 113 G C -1.252 173.635 174.900 -0.020 0.000 1.211 113 G CA 0.304 45.409 45.100 0.007 0.000 0.842 113 G HN 0.091 8.421 8.290 0.067 0.000 0.519 114 T N 0.378 114.912 114.554 -0.032 0.000 2.804 114 T HA 0.223 4.545 4.350 -0.047 0.000 0.290 114 T C -0.711 173.970 174.700 -0.033 0.000 1.099 114 T CA -1.657 60.415 62.100 -0.046 0.000 1.011 114 T CB 2.364 71.185 68.868 -0.077 0.000 1.291 114 T HN -0.221 8.004 8.240 -0.026 0.000 0.523 115 T N -2.840 111.696 114.554 -0.029 0.000 2.816 115 T HA 0.120 4.463 4.350 -0.012 0.000 0.282 115 T C 1.065 175.765 174.700 0.001 0.000 0.993 115 T CA -1.138 60.955 62.100 -0.011 0.000 0.994 115 T CB 1.045 69.910 68.868 -0.005 0.000 1.025 115 T HN -0.153 8.065 8.240 -0.037 0.000 0.529 116 E N 1.230 121.439 120.200 0.015 0.000 2.077 116 E HA -0.420 3.946 4.350 0.027 0.000 0.193 116 E C 2.121 178.759 176.600 0.062 0.000 0.989 116 E CA 3.037 59.456 56.400 0.032 0.000 0.800 116 E CB -0.362 29.356 29.700 0.030 0.000 0.746 116 E HN 0.472 8.839 8.360 0.012 0.000 0.452 117 A N -1.502 121.357 122.820 0.066 0.000 1.978 117 A HA -0.183 4.214 4.320 0.129 0.000 0.220 117 A C 0.905 178.594 177.584 0.176 0.000 1.170 117 A CA 2.441 54.547 52.037 0.114 0.000 0.636 117 A CB -0.632 18.421 19.000 0.088 0.000 0.810 117 A HN 0.272 8.440 8.150 0.045 0.009 0.448 118 N N -4.361 114.373 118.700 0.058 0.000 2.214 118 N HA 0.101 4.777 4.740 -0.107 0.000 0.214 118 N C 0.621 175.998 175.510 -0.221 0.000 1.132 118 N CA -0.255 52.732 53.050 -0.105 0.000 0.856 118 N CB 0.416 38.817 38.487 -0.144 0.000 1.020 118 N HN -0.665 7.597 8.380 0.027 0.133 0.509 119 A N 1.310 124.102 122.820 -0.046 0.000 2.019 119 A HA -0.088 4.183 4.320 -0.081 0.000 0.219 119 A C 1.580 179.140 177.584 -0.041 0.000 1.164 119 A CA 2.826 54.837 52.037 -0.042 0.000 0.644 119 A CB -0.416 18.602 19.000 0.030 0.000 0.805 119 A HN -0.350 7.639 8.150 0.044 0.187 0.449 120 W N -5.349 115.949 121.300 -0.004 0.000 2.392 120 W HA -0.219 4.436 4.660 -0.008 0.000 0.279 120 W C -0.363 176.152 176.519 -0.007 0.000 1.225 120 W CA 0.521 57.862 57.345 -0.006 0.000 1.233 120 W CB -0.825 28.631 29.460 -0.007 0.000 1.122 120 W HN -0.121 8.147 8.180 0.196 0.030 0.561 121 K N -2.199 117.703 120.400 -0.830 0.000 2.832 121 K HA 0.314 4.378 4.320 -0.427 0.000 0.211 121 K C -0.235 176.130 176.600 -0.391 0.000 1.112 121 K CA -0.659 55.182 56.287 -0.743 0.000 1.108 121 K CB -0.273 31.433 32.500 -1.324 0.000 0.899 121 K HN -0.752 6.825 8.250 -1.069 0.032 0.464 122 S N -0.447 115.110 115.700 -0.239 0.000 2.486 122 S HA -0.035 4.340 4.470 -0.159 0.000 0.220 122 S C -0.405 174.143 174.600 -0.085 0.000 1.011 122 S CA 1.412 59.526 58.200 -0.143 0.000 0.921 122 S CB 1.236 64.378 63.200 -0.097 0.000 0.785 122 S HN -0.412 7.707 8.310 -0.197 0.073 0.517 123 T N 4.781 119.294 114.554 -0.068 0.000 2.797 123 T HA 0.528 5.096 4.350 -0.021 -0.231 0.279 123 T C -0.512 174.173 174.700 -0.025 0.000 0.991 123 T CA 0.276 62.356 62.100 -0.033 0.000 0.979 123 T CB 1.948 70.801 68.868 -0.025 0.000 0.943 123 T HN -0.681 7.513 8.240 -0.076 0.000 0.444 124 L N 4.275 125.509 121.223 0.018 0.000 2.334 124 L HA 0.487 4.815 4.340 -0.021 0.000 0.272 124 L C -1.410 175.440 176.870 -0.032 0.000 1.020 124 L CA -0.901 53.959 54.840 0.035 0.000 0.812 124 L CB 2.948 45.107 42.059 0.167 0.000 1.264 124 L HN 0.584 8.732 8.230 0.046 0.110 0.439 125 V N 0.672 120.428 119.914 -0.263 0.000 2.876 125 V HA 1.064 5.065 4.120 -0.569 -0.222 0.312 125 V C -1.524 173.944 176.094 -1.044 0.000 1.085 125 V CA -2.920 59.048 62.300 -0.554 0.000 0.945 125 V CB 3.423 35.064 31.823 -0.304 0.000 1.017 125 V HN 0.011 8.068 8.190 -0.221 0.000 0.428 126 G N 4.383 112.180 108.800 -1.672 0.000 2.554 126 G HA2 0.236 3.715 3.960 -0.801 0.000 0.306 126 G HA3 0.236 2.885 3.960 -2.185 0.000 0.306 126 G C -3.336 170.835 174.900 -1.215 0.000 1.320 126 G CA 0.404 44.544 45.100 -1.600 0.000 0.800 126 G HN 0.078 7.444 8.290 -1.541 0.000 0.481 127 H N -3.714 115.019 119.070 -0.562 0.000 2.974 127 H HA 0.645 5.210 4.556 -0.155 -0.102 0.366 127 H C -1.806 173.629 175.328 0.179 0.000 1.155 127 H CA -1.588 54.370 56.048 -0.149 0.000 1.186 127 H CB 3.526 33.223 29.762 -0.109 0.000 1.799 127 H HN 0.080 7.789 8.280 -0.950 0.000 0.541 128 D N 0.957 121.556 120.400 0.332 0.000 2.732 128 D HA 0.307 5.129 4.640 0.082 -0.133 0.229 128 D C -1.221 175.112 176.300 0.055 0.000 1.152 128 D CA -0.281 53.817 54.000 0.162 0.000 0.854 128 D CB 4.762 45.638 40.800 0.127 0.000 1.590 128 D HN 0.299 8.798 8.370 0.395 0.107 0.468 129 T N 3.988 118.487 114.554 -0.092 0.000 2.824 129 T HA 0.634 5.236 4.350 0.137 -0.169 0.282 129 T C -1.269 173.352 174.700 -0.131 0.000 0.993 129 T CA -0.136 61.973 62.100 0.016 0.000 0.967 129 T CB 1.980 70.905 68.868 0.095 0.000 0.960 129 T HN 0.366 8.827 8.240 -0.129 -0.299 0.441 130 F N 6.551 126.654 119.950 0.254 0.000 2.469 130 F HA 0.683 5.630 4.527 0.335 -0.219 0.332 130 F C -0.110 175.986 175.800 0.494 0.000 1.103 130 F CA -1.576 56.629 58.000 0.342 0.000 0.979 130 F CB 3.214 42.367 39.000 0.255 0.000 1.137 130 F HN 0.801 9.334 8.300 0.388 0.000 0.463 131 T N 4.854 119.805 114.554 0.662 0.000 2.797 131 T HA 0.431 5.227 4.350 0.506 -0.142 0.279 131 T C -1.061 173.855 174.700 0.359 0.000 0.991 131 T CA -0.595 61.797 62.100 0.486 0.000 0.979 131 T CB 2.024 71.067 68.868 0.291 0.000 0.943 131 T HN 0.967 9.571 8.240 0.608 0.000 0.444 132 K N 7.352 127.703 120.400 -0.080 0.000 2.218 132 K HA 0.244 4.092 4.320 -1.042 -0.154 0.276 132 K C -0.334 176.069 176.600 -0.328 0.000 1.022 132 K CA -0.298 55.520 56.287 -0.782 0.000 0.946 132 K CB 1.139 32.844 32.500 -1.325 0.000 1.000 132 K HN -0.386 7.882 8.250 0.031 0.000 0.468 133 V N 5.645 125.364 119.914 -0.325 0.000 2.617 133 V HA 0.054 4.147 4.120 -0.045 0.000 0.298 133 V C -1.069 174.922 176.094 -0.172 0.000 1.048 133 V CA -1.211 61.016 62.300 -0.122 0.000 0.964 133 V CB 1.394 33.211 31.823 -0.011 0.000 1.004 133 V HN 0.479 8.363 8.190 -0.510 0.000 0.466 134 K N 5.490 125.830 120.400 -0.100 0.000 2.258 134 K HA 0.238 4.481 4.320 -0.128 0.000 0.284 134 K C -1.720 174.831 176.600 -0.081 0.000 1.051 134 K CA -3.340 52.889 56.287 -0.097 0.000 0.923 134 K CB 0.081 32.544 32.500 -0.061 0.000 1.046 134 K HN 0.109 8.323 8.250 -0.059 0.000 0.474 135 P HA 0.000 4.372 4.420 -0.080 0.000 0.216 135 P CA 0.000 63.040 63.100 -0.100 0.000 0.800 135 P CB 0.000 31.646 31.700 -0.089 0.000 0.726