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 1vwl_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 4.455 4.320 0.224 0.000 0.244 13 A C 0.000 177.658 177.584 0.124 0.000 1.274 13 A CA 0.000 52.174 52.037 0.229 0.000 0.836 13 A CB 0.000 19.078 19.000 0.130 0.000 0.831 14 E N 0.995 121.247 120.200 0.087 0.000 2.144 14 E HA -0.466 3.931 4.350 0.078 0.000 0.243 14 E C 1.552 178.096 176.600 -0.094 0.000 1.043 14 E CA 3.158 59.582 56.400 0.039 0.000 0.952 14 E CB -0.084 29.660 29.700 0.073 0.000 0.849 14 E HN 0.453 8.878 8.360 0.108 0.000 0.522 15 A N -1.674 121.106 122.820 -0.066 0.000 3.105 15 A HA 0.050 4.240 4.320 -0.217 0.000 0.272 15 A C -0.657 176.849 177.584 -0.131 0.000 1.466 15 A CA -0.373 51.586 52.037 -0.129 0.000 1.101 15 A CB -1.685 17.275 19.000 -0.066 0.000 1.065 15 A HN 0.002 8.143 8.150 -0.015 0.000 0.643 16 G N -1.881 106.811 108.800 -0.179 0.000 3.020 16 G HA2 0.233 4.186 3.960 -0.012 0.000 0.217 16 G HA3 0.233 4.307 3.960 0.082 -0.065 0.217 16 G C 0.197 175.034 174.900 -0.106 0.000 1.144 16 G CA -0.315 44.751 45.100 -0.057 0.000 0.760 16 G HN -0.352 7.652 8.290 -0.274 0.121 0.548 17 I N 0.552 120.886 120.570 -0.394 0.000 2.333 17 I HA -0.307 3.808 4.170 -0.090 0.000 0.246 17 I C -0.540 175.547 176.117 -0.051 0.000 1.106 17 I CA 2.616 63.723 61.300 -0.321 0.000 1.411 17 I CB 0.010 37.609 38.000 -0.670 0.000 1.082 17 I HN -1.017 6.840 8.210 -0.479 0.066 0.420 18 T N 0.299 114.748 114.554 -0.175 0.000 2.891 18 T HA -0.329 4.105 4.350 -0.206 -0.208 0.296 18 T C 0.362 174.986 174.700 -0.125 0.000 1.025 18 T CA 3.253 65.258 62.100 -0.159 0.000 1.149 18 T CB -0.109 68.668 68.868 -0.153 0.000 1.007 18 T HN -0.452 7.644 8.240 -0.239 0.000 0.528 19 G N 4.763 113.456 108.800 -0.178 0.000 2.340 19 G HA2 -0.174 3.643 3.960 -0.238 0.000 0.282 19 G HA3 -0.174 3.577 3.960 -0.347 0.000 0.282 19 G C -3.171 171.525 174.900 -0.339 0.000 1.312 19 G CA 0.086 45.023 45.100 -0.273 0.000 0.942 19 G HN -0.135 8.028 8.290 -0.211 0.000 0.495 20 T N 2.118 116.402 114.554 -0.451 0.000 2.779 20 T HA 0.753 5.030 4.350 -0.418 -0.177 0.280 20 T C -1.056 173.248 174.700 -0.660 0.000 0.987 20 T CA 0.669 62.485 62.100 -0.474 0.000 0.966 20 T CB 1.256 69.906 68.868 -0.364 0.000 0.933 20 T HN 0.025 7.991 8.240 -0.457 0.000 0.442 21 W N 5.515 126.473 121.300 -0.569 0.000 2.864 21 W HA 0.490 5.229 4.660 -0.122 -0.152 0.343 21 W C -1.757 174.517 176.519 -0.408 0.000 1.109 21 W CA -1.395 55.778 57.345 -0.287 0.000 1.192 21 W CB 3.599 33.041 29.460 -0.029 0.000 1.426 21 W HN 0.981 8.868 8.180 -0.310 0.107 0.529 22 Y N -2.635 117.962 120.300 0.494 0.000 2.545 22 Y HA 0.912 5.867 4.550 0.332 -0.206 0.348 22 Y C -0.808 175.315 175.900 0.372 0.000 1.002 22 Y CA -2.024 56.289 58.100 0.354 0.000 1.039 22 Y CB 3.576 42.138 38.460 0.170 0.000 1.271 22 Y HN 1.051 9.718 8.280 0.646 0.000 0.467 23 N N -0.075 118.827 118.700 0.336 0.000 2.592 23 N HA 0.625 5.461 4.740 -0.148 -0.185 0.292 23 N C 1.990 177.521 175.510 0.035 0.000 1.260 23 N CA -2.833 50.172 53.050 -0.075 0.000 0.910 23 N CB 2.114 40.294 38.487 -0.513 0.000 1.257 23 N HN -0.185 8.408 8.380 0.355 0.000 0.569 24 Q N -0.824 118.958 119.800 -0.030 0.000 2.364 24 Q HA -0.134 4.230 4.340 0.041 0.000 0.209 24 Q C 0.220 176.242 176.000 0.036 0.000 0.977 24 Q CA 2.277 58.092 55.803 0.020 0.000 0.885 24 Q CB -0.700 28.045 28.738 0.012 0.000 0.941 24 Q HN 0.392 8.589 8.270 -0.121 0.000 0.464 25 L N -4.018 117.232 121.223 0.046 0.000 2.477 25 L HA 0.156 4.522 4.340 0.044 0.000 0.220 25 L C 0.676 177.592 176.870 0.076 0.000 1.106 25 L CA -0.146 54.729 54.840 0.058 0.000 0.851 25 L CB 0.520 42.620 42.059 0.069 0.000 0.994 25 L HN -0.714 7.708 8.230 0.035 -0.171 0.462 26 G N -3.157 105.707 108.800 0.106 0.000 2.163 26 G HA2 -0.316 3.726 3.960 0.136 0.000 0.213 26 G HA3 -0.316 3.699 3.960 0.091 0.000 0.213 26 G C -0.558 174.441 174.900 0.164 0.000 0.991 26 G CA -0.365 44.810 45.100 0.125 0.000 0.653 26 G HN -0.228 8.148 8.290 0.114 -0.017 0.518 27 S N 1.865 117.667 115.700 0.170 0.000 2.601 27 S HA 0.247 4.855 4.470 0.104 -0.075 0.271 27 S C -0.883 173.758 174.600 0.068 0.000 1.305 27 S CA 1.050 59.318 58.200 0.112 0.000 1.022 27 S CB 1.383 64.683 63.200 0.168 0.000 0.940 27 S HN -0.234 8.485 8.310 0.173 -0.304 0.525 28 T N 3.771 118.267 114.554 -0.097 0.000 2.856 28 T HA 0.745 5.161 4.350 -0.175 -0.171 0.283 28 T C -1.675 172.824 174.700 -0.336 0.000 1.008 28 T CA -0.191 61.803 62.100 -0.178 0.000 0.997 28 T CB 2.231 71.034 68.868 -0.109 0.000 0.992 28 T HN 0.380 8.545 8.240 -0.125 0.000 0.454 29 F N 7.826 127.480 119.950 -0.494 0.000 2.499 29 F HA 0.710 5.051 4.527 -0.555 -0.147 0.333 29 F C -3.018 172.574 175.800 -0.347 0.000 1.138 29 F CA -2.750 54.931 58.000 -0.533 0.000 0.945 29 F CB 3.340 41.921 39.000 -0.698 0.000 1.181 29 F HN 0.882 9.048 8.300 -0.223 0.000 0.435 30 I N 8.635 128.911 120.570 -0.491 0.000 2.382 30 I HA 0.666 4.758 4.170 -0.468 -0.203 0.286 30 I C -1.641 174.154 176.117 -0.537 0.000 1.002 30 I CA -1.255 59.770 61.300 -0.459 0.000 1.135 30 I CB 1.206 39.047 38.000 -0.266 0.000 1.288 30 I HN 0.453 8.487 8.210 -0.295 0.000 0.448 31 V N 3.637 123.184 119.914 -0.611 0.000 3.040 31 V HA 1.056 5.128 4.120 -0.385 -0.183 0.312 31 V C -1.021 174.880 176.094 -0.322 0.000 1.115 31 V CA -3.032 58.965 62.300 -0.505 0.000 0.998 31 V CB 3.541 34.937 31.823 -0.711 0.000 1.042 31 V HN 0.673 8.523 8.190 -0.567 0.000 0.433 32 T N -1.303 113.105 114.554 -0.243 0.000 2.812 32 T HA 0.290 4.534 4.350 -0.177 0.000 0.282 32 T C -1.475 173.128 174.700 -0.161 0.000 0.990 32 T CA -2.058 59.939 62.100 -0.172 0.000 0.960 32 T CB 1.514 70.312 68.868 -0.117 0.000 0.948 32 T HN 0.471 8.573 8.240 -0.231 0.000 0.438 33 A N 4.812 127.526 122.820 -0.177 0.000 2.271 33 A HA 0.765 5.196 4.320 -0.116 -0.180 0.317 33 A C -0.548 177.040 177.584 0.007 0.000 1.245 33 A CA -1.960 49.972 52.037 -0.174 0.000 0.857 33 A CB 1.740 20.436 19.000 -0.506 0.000 1.175 33 A HN -0.030 8.013 8.150 -0.179 0.000 0.512 34 G N 0.939 109.818 108.800 0.131 0.000 2.476 34 G HA2 0.133 4.124 3.960 0.052 0.000 0.269 34 G HA3 0.133 4.144 3.960 0.085 0.000 0.269 34 G C 0.205 175.204 174.900 0.165 0.000 1.195 34 G CA -1.079 44.084 45.100 0.105 0.000 0.843 34 G HN 0.374 8.668 8.290 0.188 0.109 0.545 35 A N 0.896 123.770 122.820 0.091 0.000 2.024 35 A HA -0.264 4.131 4.320 0.126 0.000 0.220 35 A C 0.327 177.926 177.584 0.026 0.000 1.164 35 A CA 2.324 54.408 52.037 0.080 0.000 0.643 35 A CB -0.152 18.870 19.000 0.038 0.000 0.806 35 A HN 0.405 8.588 8.150 0.056 0.000 0.451 36 D N -6.126 114.272 120.400 -0.003 0.000 2.336 36 D HA -0.132 4.457 4.640 -0.086 0.000 0.228 36 D C -0.141 176.062 176.300 -0.161 0.000 1.120 36 D CA 0.331 54.289 54.000 -0.071 0.000 0.839 36 D CB 0.163 40.941 40.800 -0.037 0.000 0.932 36 D HN -0.332 8.018 8.370 0.024 0.034 0.509 37 G N -1.906 106.731 108.800 -0.273 0.000 2.184 37 G HA2 -0.338 2.890 3.960 -1.380 0.000 0.206 37 G HA3 -0.338 3.401 3.960 -0.370 0.000 0.206 37 G C -2.177 172.689 174.900 -0.058 0.000 0.995 37 G CA 0.142 44.944 45.100 -0.496 0.000 0.651 37 G HN -0.433 7.706 8.290 -0.143 0.065 0.511 38 A N -0.577 122.309 122.820 0.111 0.000 2.302 38 A HA 0.435 4.955 4.320 0.125 -0.126 0.285 38 A C -1.694 176.022 177.584 0.219 0.000 1.105 38 A CA -1.164 50.961 52.037 0.146 0.000 0.816 38 A CB 2.238 21.283 19.000 0.075 0.000 1.067 38 A HN -0.578 7.626 8.150 0.091 0.000 0.489 39 L N 1.916 123.227 121.223 0.146 0.000 2.381 39 L HA 0.953 5.483 4.340 -0.006 -0.194 0.274 39 L C -0.939 175.941 176.870 0.016 0.000 0.988 39 L CA -0.896 53.979 54.840 0.058 0.000 0.824 39 L CB 4.232 46.351 42.059 0.099 0.000 1.263 39 L HN -0.126 8.183 8.230 0.131 0.000 0.410 40 T N 0.620 115.148 114.554 -0.044 0.000 2.903 40 T HA 0.788 5.274 4.350 -0.013 -0.144 0.299 40 T C -0.984 173.657 174.700 -0.099 0.000 1.093 40 T CA -2.227 59.848 62.100 -0.041 0.000 1.002 40 T CB 3.377 72.228 68.868 -0.027 0.000 1.127 40 T HN 0.258 8.446 8.240 -0.086 0.000 0.488 41 G N -0.144 108.610 108.800 -0.077 0.000 2.323 41 G HA2 0.191 4.081 3.960 -0.115 0.000 0.291 41 G HA3 0.191 4.208 3.960 -0.183 -0.167 0.291 41 G C -2.831 172.043 174.900 -0.043 0.000 1.278 41 G CA 1.080 46.114 45.100 -0.110 0.000 0.860 41 G HN -0.413 7.854 8.290 -0.039 0.000 0.504 42 T N 1.647 116.174 114.554 -0.043 0.000 2.893 42 T HA 0.893 5.457 4.350 0.074 -0.170 0.291 42 T C -2.333 172.431 174.700 0.107 0.000 1.028 42 T CA -0.372 61.750 62.100 0.036 0.000 0.995 42 T CB 3.567 72.434 68.868 -0.002 0.000 1.051 42 T HN 0.062 8.236 8.240 -0.111 0.000 0.470 43 Y N 6.048 126.401 120.300 0.088 0.000 2.350 43 Y HA 0.569 5.346 4.550 0.128 -0.150 0.338 43 Y C -2.626 173.430 175.900 0.260 0.000 0.961 43 Y CA -1.911 56.275 58.100 0.143 0.000 1.100 43 Y CB 3.838 42.350 38.460 0.088 0.000 1.179 43 Y HN 1.087 9.437 8.280 0.301 0.110 0.454 44 E N 6.351 126.621 120.200 0.116 0.000 2.238 44 E HA 0.946 5.805 4.350 0.432 -0.250 0.267 44 E C -1.250 175.489 176.600 0.232 0.000 0.887 44 E CA -2.652 53.893 56.400 0.241 0.000 0.769 44 E CB 3.690 33.449 29.700 0.097 0.000 1.187 44 E HN 0.825 9.055 8.360 -0.217 0.000 0.416 45 S N 1.717 117.629 115.700 0.353 0.000 2.671 45 S HA 0.052 4.699 4.470 0.295 0.000 0.272 45 S C -0.478 174.216 174.600 0.157 0.000 1.174 45 S CA -1.197 57.173 58.200 0.282 0.000 1.004 45 S CB 1.245 64.652 63.200 0.345 0.000 1.077 45 S HN 0.428 8.879 8.310 0.417 0.108 0.553 46 A N 1.299 124.190 122.820 0.117 0.000 2.642 46 A HA -0.203 4.161 4.320 0.073 0.000 0.228 46 A C 0.988 178.608 177.584 0.060 0.000 1.045 46 A CA 1.523 53.604 52.037 0.073 0.000 0.760 46 A CB -0.242 18.785 19.000 0.045 0.000 0.958 46 A HN 0.312 8.533 8.150 0.118 0.000 0.505 47 V N -1.905 118.036 119.914 0.045 0.000 0.449 47 V HA -0.584 3.551 4.120 0.025 0.000 0.083 47 V C 1.045 177.158 176.094 0.032 0.000 2.726 47 V CA 2.066 64.384 62.300 0.030 0.000 3.784 47 V CB -0.624 31.211 31.823 0.020 0.000 1.096 47 V HN 0.715 8.932 8.190 0.045 0.000 1.124 48 G N -2.604 106.222 108.800 0.043 0.000 3.597 48 G HA2 -0.396 3.596 3.960 0.052 0.000 0.256 48 G HA3 -0.396 3.583 3.960 0.031 0.000 0.256 48 G C -1.528 173.383 174.900 0.019 0.000 1.792 48 G CA -0.293 44.830 45.100 0.038 0.000 1.219 48 G HN -0.180 8.016 8.290 0.057 0.128 0.577 49 N N 0.118 118.817 118.700 -0.002 0.000 6.932 49 N HA -0.317 4.404 4.740 -0.032 0.000 0.423 49 N C -0.131 175.343 175.510 -0.060 0.000 0.940 49 N CA 0.554 53.585 53.050 -0.031 0.000 1.283 49 N CB -0.405 38.065 38.487 -0.028 0.000 0.827 49 N HN -0.243 8.138 8.380 0.000 0.000 0.267 50 A N 0.260 123.012 122.820 -0.112 0.000 2.250 50 A HA 0.072 4.331 4.320 -0.103 0.000 0.222 50 A C -0.303 177.157 177.584 -0.206 0.000 1.768 50 A CA 1.297 53.242 52.037 -0.153 0.000 0.660 50 A CB 0.575 19.452 19.000 -0.205 0.000 1.318 50 A HN 0.306 8.381 8.150 -0.126 0.000 0.527 51 E N -0.278 119.691 120.200 -0.385 0.000 2.261 51 E HA 0.183 4.432 4.350 -0.237 -0.041 0.239 51 E C -1.556 174.863 176.600 -0.302 0.000 0.991 51 E CA -0.934 55.240 56.400 -0.376 0.000 0.847 51 E CB -0.468 28.921 29.700 -0.518 0.000 1.223 51 E HN 0.304 8.346 8.360 -0.529 0.000 0.446 52 S N -0.803 114.804 115.700 -0.154 0.000 2.650 52 S HA 0.230 4.765 4.470 0.108 0.000 0.240 52 S C -0.515 174.123 174.600 0.064 0.000 1.007 52 S CA -0.686 57.537 58.200 0.039 0.000 0.984 52 S CB 0.877 64.125 63.200 0.080 0.000 0.910 52 S HN -0.162 8.019 8.310 -0.122 0.056 0.509 53 R N 0.911 121.315 120.500 -0.162 0.000 2.407 53 R HA 0.548 5.185 4.340 0.175 -0.191 0.303 53 R C -1.088 175.007 176.300 -0.342 0.000 0.981 53 R CA -0.738 55.325 56.100 -0.062 0.000 0.905 53 R CB 2.550 32.823 30.300 -0.044 0.000 1.099 53 R HN -0.742 7.265 8.270 -0.242 0.118 0.459 54 Y N -0.336 120.059 120.300 0.159 0.000 2.512 54 Y HA 0.190 4.794 4.550 0.090 0.000 0.348 54 Y C -0.987 174.944 175.900 0.052 0.000 0.990 54 Y CA -1.598 56.561 58.100 0.099 0.000 1.033 54 Y CB 3.157 41.661 38.460 0.072 0.000 1.259 54 Y HN 0.576 9.084 8.280 0.379 0.000 0.461 55 V N 1.550 121.555 119.914 0.152 0.000 2.649 55 V HA 0.159 4.460 4.120 0.069 -0.140 0.292 55 V C -0.377 175.753 176.094 0.060 0.000 1.055 55 V CA 0.408 62.755 62.300 0.079 0.000 1.023 55 V CB 0.246 32.099 31.823 0.050 0.000 0.992 55 V HN 0.753 9.037 8.190 0.158 0.000 0.480 56 L N 1.036 122.291 121.223 0.053 0.000 2.371 56 L HA 1.041 5.589 4.340 0.069 -0.167 0.262 56 L C -1.598 175.309 176.870 0.062 0.000 1.006 56 L CA -1.560 53.321 54.840 0.068 0.000 0.818 56 L CB 3.984 46.079 42.059 0.059 0.000 1.354 56 L HN 0.249 8.504 8.230 0.041 0.000 0.415 57 T N 0.560 115.180 114.554 0.109 0.000 2.923 57 T HA 0.645 5.201 4.350 0.070 -0.164 0.311 57 T C -1.440 173.366 174.700 0.176 0.000 1.183 57 T CA -1.339 60.821 62.100 0.099 0.000 1.020 57 T CB 2.346 71.253 68.868 0.066 0.000 1.165 57 T HN -0.203 8.131 8.240 0.157 0.000 0.482 58 G N 2.609 111.511 108.800 0.170 0.000 2.634 58 G HA2 0.669 4.749 3.960 0.200 0.000 0.309 58 G HA3 0.669 4.976 3.960 0.332 -0.148 0.309 58 G C -2.865 172.146 174.900 0.185 0.000 1.299 58 G CA 0.599 45.835 45.100 0.226 0.000 0.798 58 G HN 0.500 8.866 8.290 0.126 0.000 0.490 59 R N -3.524 117.104 120.500 0.212 0.000 2.739 59 R HA 1.147 5.816 4.340 0.202 -0.208 0.271 59 R C -1.812 174.647 176.300 0.265 0.000 1.010 59 R CA -2.065 54.148 56.100 0.188 0.000 0.897 59 R CB 4.858 35.212 30.300 0.090 0.000 1.236 59 R HN 0.111 8.526 8.270 0.242 0.000 0.466 60 Y N -2.673 117.661 120.300 0.056 0.000 2.655 60 Y HA 0.615 5.337 4.550 0.076 -0.126 0.336 60 Y C -2.136 173.788 175.900 0.040 0.000 1.154 60 Y CA -2.468 55.666 58.100 0.056 0.000 1.055 60 Y CB 2.490 40.972 38.460 0.037 0.000 1.295 60 Y HN 0.577 8.778 8.280 0.033 0.099 0.465 61 D N 0.447 120.855 120.400 0.014 0.000 2.336 61 D HA 0.143 4.691 4.640 -0.153 0.000 0.249 61 D C 0.088 176.280 176.300 -0.180 0.000 1.213 61 D CA -0.805 53.141 54.000 -0.091 0.000 0.870 61 D CB 0.887 41.715 40.800 0.048 0.000 1.076 61 D HN -0.034 8.478 8.370 0.237 0.000 0.483 62 S N 3.274 118.729 115.700 -0.408 0.000 2.603 62 S HA -0.134 4.273 4.470 -0.105 0.000 0.220 62 S C -0.835 173.740 174.600 -0.041 0.000 0.967 62 S CA 0.983 59.018 58.200 -0.274 0.000 0.920 62 S CB 0.308 63.293 63.200 -0.358 0.000 0.773 62 S HN -0.009 8.054 8.310 -0.411 0.000 0.529 63 A N 0.781 123.584 122.820 -0.028 0.000 3.410 63 A HA 0.376 4.714 4.320 0.029 0.000 0.276 63 A C -3.312 174.290 177.584 0.031 0.000 0.995 63 A CA -2.207 49.836 52.037 0.010 0.000 0.934 63 A CB 0.225 19.220 19.000 -0.008 0.000 1.191 63 A HN -0.578 7.575 8.150 -0.055 -0.036 0.511 64 P HA -0.027 4.669 4.420 0.068 -0.235 0.271 64 P C -1.094 176.243 177.300 0.062 0.000 1.233 64 P CA -0.407 62.740 63.100 0.078 0.000 0.789 64 P CB 1.098 32.873 31.700 0.124 0.000 0.951 65 A N -1.579 121.276 122.820 0.059 0.000 2.425 65 A HA -0.048 4.295 4.320 0.039 0.000 0.242 65 A C 1.234 178.849 177.584 0.051 0.000 1.077 65 A CA 0.194 52.259 52.037 0.047 0.000 0.781 65 A CB 0.761 19.786 19.000 0.042 0.000 1.020 65 A HN 0.096 8.285 8.150 0.064 0.000 0.494 66 T N -1.702 112.877 114.554 0.041 0.000 3.256 66 T HA 0.058 4.437 4.350 0.047 0.000 0.237 66 T C -1.306 173.415 174.700 0.036 0.000 0.908 66 T CA -1.155 60.969 62.100 0.040 0.000 0.966 66 T CB -0.911 67.977 68.868 0.034 0.000 1.134 66 T HN 0.204 8.564 8.240 0.035 -0.099 0.573 67 D N -1.238 119.185 120.400 0.038 0.000 2.614 67 D HA -0.021 4.494 4.640 0.029 0.142 0.264 67 D C -0.584 175.738 176.300 0.037 0.000 1.092 67 D CA -1.803 52.216 54.000 0.033 0.000 1.071 67 D CB 1.894 42.712 40.800 0.029 0.000 1.443 67 D HN -0.206 8.801 8.370 0.044 -0.610 0.528 68 G N -2.363 106.456 108.800 0.032 0.000 3.284 68 G HA2 -0.075 3.907 3.960 0.036 0.000 0.251 68 G HA3 -0.075 3.902 3.960 0.027 0.000 0.251 68 G C -0.823 174.098 174.900 0.034 0.000 0.913 68 G CA 0.269 45.389 45.100 0.032 0.000 1.947 68 G HN -0.095 8.212 8.290 0.027 0.000 0.635 69 S N 1.566 117.292 115.700 0.044 0.000 2.664 69 S HA 0.188 4.682 4.470 0.040 0.000 0.304 69 S C 0.120 174.758 174.600 0.063 0.000 1.099 69 S CA -1.215 57.014 58.200 0.049 0.000 1.003 69 S CB 3.034 66.264 63.200 0.050 0.000 1.092 69 S HN -0.379 7.971 8.310 0.049 -0.011 0.525 70 G N -0.478 108.362 108.800 0.066 0.000 2.547 70 G HA2 0.244 4.282 3.960 0.074 0.000 0.291 70 G HA3 0.244 4.256 3.960 0.071 -0.009 0.291 70 G C -1.183 173.802 174.900 0.142 0.000 1.211 70 G CA -0.589 44.563 45.100 0.087 0.000 0.950 70 G HN -0.075 8.249 8.290 0.057 0.000 0.504 71 T N 3.899 118.585 114.554 0.220 0.000 2.743 71 T HA 0.130 4.598 4.350 0.198 0.000 0.292 71 T C -0.749 174.088 174.700 0.229 0.000 0.972 71 T CA 0.588 62.838 62.100 0.250 0.000 0.967 71 T CB 1.138 70.216 68.868 0.349 0.000 0.926 71 T HN 0.285 8.573 8.240 0.260 0.108 0.459 72 A N 8.620 131.547 122.820 0.179 0.000 2.425 72 A HA 0.560 5.159 4.320 0.152 -0.189 0.249 72 A C -1.370 176.334 177.584 0.200 0.000 1.084 72 A CA -0.159 51.972 52.037 0.158 0.000 0.781 72 A CB 0.893 19.959 19.000 0.110 0.000 1.019 72 A HN 0.660 8.902 8.150 0.155 0.000 0.490 73 L N -4.217 117.125 121.223 0.199 0.000 2.765 73 L HA 1.041 5.660 4.340 0.242 -0.134 0.263 73 L C -1.195 175.803 176.870 0.213 0.000 1.068 73 L CA -0.948 54.039 54.840 0.246 0.000 0.903 73 L CB 3.108 45.345 42.059 0.298 0.000 1.512 73 L HN 0.152 8.484 8.230 0.171 0.000 0.404 74 G N -4.104 104.854 108.800 0.263 0.000 2.601 74 G HA2 0.722 4.843 3.960 0.047 0.000 0.291 74 G HA3 0.722 4.736 3.960 0.089 0.000 0.291 74 G C -3.207 171.885 174.900 0.321 0.000 1.456 74 G CA 0.798 45.997 45.100 0.166 0.000 0.804 74 G HN 0.056 8.535 8.290 0.315 0.000 0.499 75 W N -3.535 117.825 121.300 0.100 0.000 2.989 75 W HA 0.684 5.477 4.660 0.057 -0.099 0.344 75 W C -3.190 173.406 176.519 0.127 0.000 1.233 75 W CA -1.335 56.051 57.345 0.067 0.000 1.187 75 W CB 1.992 31.444 29.460 -0.014 0.000 1.443 75 W HN 0.590 8.644 8.180 -0.209 0.000 0.573 76 T N 0.850 115.564 114.554 0.267 0.000 2.900 76 T HA 0.915 5.513 4.350 0.074 -0.204 0.295 76 T C -1.527 173.248 174.700 0.126 0.000 1.044 76 T CA -0.504 61.675 62.100 0.131 0.000 0.995 76 T CB 3.249 72.139 68.868 0.037 0.000 1.072 76 T HN 0.458 8.906 8.240 0.346 0.000 0.473 77 V N 3.614 123.490 119.914 -0.064 0.000 2.623 77 V HA 0.341 4.473 4.120 -0.217 -0.142 0.304 77 V C -2.377 173.335 176.094 -0.636 0.000 1.054 77 V CA -1.131 60.946 62.300 -0.373 0.000 0.882 77 V CB 4.020 35.376 31.823 -0.778 0.000 1.002 77 V HN 0.623 8.749 8.190 -0.107 0.000 0.424 78 A N 5.121 127.670 122.820 -0.453 0.000 2.292 78 A HA 0.561 4.794 4.320 -0.336 -0.115 0.319 78 A C -0.050 177.307 177.584 -0.378 0.000 1.206 78 A CA -1.734 50.110 52.037 -0.320 0.000 0.835 78 A CB 1.722 20.664 19.000 -0.097 0.000 1.164 78 A HN 0.686 8.660 8.150 -0.294 0.000 0.505 79 W N 4.944 126.189 121.300 -0.092 0.000 1.564 79 W HA -0.094 4.280 4.660 -0.476 0.000 0.448 79 W C -1.332 175.220 176.519 0.055 0.000 0.601 79 W CA -1.282 55.938 57.345 -0.208 0.000 2.326 79 W CB -0.854 28.424 29.460 -0.303 0.000 1.355 79 W HN 0.709 8.812 8.180 -0.129 0.000 0.382 80 K N 1.148 121.759 120.400 0.352 0.000 2.468 80 K HA 0.768 5.489 4.320 0.295 -0.225 0.252 80 K C -1.807 174.981 176.600 0.314 0.000 0.932 80 K CA -1.238 55.226 56.287 0.294 0.000 0.794 80 K CB 3.225 35.804 32.500 0.132 0.000 1.241 80 K HN -0.309 8.020 8.250 0.279 0.088 0.428 81 N N 4.610 123.437 118.700 0.213 0.000 3.204 81 N HA 0.327 5.109 4.740 0.070 0.000 0.285 81 N C -0.671 174.871 175.510 0.053 0.000 1.536 81 N CA -0.971 52.124 53.050 0.075 0.000 0.832 81 N CB 1.502 39.900 38.487 -0.149 0.000 1.645 81 N HN 0.762 9.270 8.380 0.214 0.000 0.586 82 N N -1.365 117.332 118.700 -0.005 0.000 2.626 82 N HA -0.039 4.595 4.740 -0.176 0.000 0.193 82 N C -0.519 174.687 175.510 -0.508 0.000 1.213 82 N CA 1.703 54.590 53.050 -0.271 0.000 0.914 82 N CB -0.079 38.141 38.487 -0.444 0.000 0.994 82 N HN 0.304 8.841 8.380 0.052 -0.126 0.447 83 Y N -2.943 117.349 120.300 -0.015 0.000 2.572 83 Y HA 0.121 4.673 4.550 0.004 0.000 0.274 83 Y C -0.452 175.464 175.900 0.026 0.000 1.135 83 Y CA 0.922 59.022 58.100 0.000 0.000 1.230 83 Y CB 2.247 40.698 38.460 -0.015 0.000 1.293 83 Y HN -0.291 8.309 8.280 0.208 -0.195 0.501 84 R N -2.265 118.361 120.500 0.209 0.000 2.808 84 R HA 0.295 4.705 4.340 0.117 0.000 0.272 84 R C -2.509 173.881 176.300 0.150 0.000 0.995 84 R CA -1.267 54.936 56.100 0.171 0.000 0.917 84 R CB 4.135 34.572 30.300 0.230 0.000 1.217 84 R HN 0.124 8.913 8.270 0.224 -0.384 0.471 85 N N 0.574 119.295 118.700 0.036 0.000 2.533 85 N HA 0.334 5.250 4.740 0.014 -0.167 0.289 85 N C -1.458 173.893 175.510 -0.266 0.000 1.103 85 N CA 0.191 53.170 53.050 -0.118 0.000 0.877 85 N CB 1.517 39.855 38.487 -0.249 0.000 1.419 85 N HN 0.339 8.728 8.380 0.015 0.000 0.517 86 A N 2.191 124.941 122.820 -0.116 0.000 2.423 86 A HA 0.162 4.431 4.320 -0.086 0.000 0.246 86 A C 0.481 178.053 177.584 -0.020 0.000 1.278 86 A CA -0.631 51.360 52.037 -0.076 0.000 0.903 86 A CB 0.768 19.745 19.000 -0.038 0.000 0.997 86 A HN 0.926 8.981 8.150 0.026 0.110 0.510 87 H N -0.443 118.684 119.070 0.095 0.000 2.415 87 H HA -0.367 4.234 4.556 0.074 0.000 0.323 87 H C -1.810 173.559 175.328 0.068 0.000 1.035 87 H CA 1.161 57.251 56.048 0.070 0.000 1.098 87 H CB -2.926 26.861 29.762 0.041 0.000 1.575 87 H HN 0.043 8.241 8.280 -0.481 -0.206 0.387 88 S N -4.875 110.935 115.700 0.184 0.000 2.615 88 S HA 0.840 5.497 4.470 0.125 -0.112 0.269 88 S C -2.548 172.182 174.600 0.216 0.000 1.161 88 S CA -0.624 57.686 58.200 0.183 0.000 0.817 88 S CB 4.133 67.429 63.200 0.160 0.000 1.131 88 S HN -0.326 8.093 8.310 0.181 0.000 0.467 89 A N -1.692 121.215 122.820 0.145 0.000 2.549 89 A HA 0.745 5.069 4.320 -0.213 -0.132 0.297 89 A C -2.404 175.160 177.584 -0.032 0.000 1.061 89 A CA -0.235 51.783 52.037 -0.032 0.000 0.690 89 A CB 3.865 22.826 19.000 -0.065 0.000 1.287 89 A HN 0.736 8.956 8.150 0.117 0.000 0.402 90 T N 3.797 118.247 114.554 -0.173 0.000 2.863 90 T HA 1.105 5.554 4.350 -0.236 -0.241 0.285 90 T C -0.687 173.777 174.700 -0.394 0.000 1.009 90 T CA -1.306 60.599 62.100 -0.326 0.000 0.989 90 T CB 2.589 71.098 68.868 -0.599 0.000 1.004 90 T HN 0.833 8.859 8.240 -0.357 0.000 0.455 91 T N 1.679 115.991 114.554 -0.402 0.000 2.841 91 T HA 0.785 5.225 4.350 -0.164 -0.189 0.283 91 T C -1.364 173.106 174.700 -0.383 0.000 1.000 91 T CA -1.917 60.023 62.100 -0.266 0.000 0.977 91 T CB 2.628 71.412 68.868 -0.139 0.000 0.979 91 T HN 0.635 8.657 8.240 -0.363 0.000 0.446 92 W N 4.672 125.621 121.300 -0.585 0.000 2.587 92 W HA 0.536 5.218 4.660 -0.236 -0.163 0.324 92 W C -1.370 174.837 176.519 -0.520 0.000 1.040 92 W CA -1.430 55.543 57.345 -0.619 0.000 1.222 92 W CB 3.581 32.231 29.460 -1.349 0.000 1.381 92 W HN 0.942 8.950 8.180 -0.287 0.000 0.483 93 S N 1.691 117.347 115.700 -0.073 0.000 2.500 93 S HA 0.739 5.319 4.470 -0.026 -0.125 0.301 93 S C -1.030 173.592 174.600 0.037 0.000 1.092 93 S CA -1.632 56.553 58.200 -0.025 0.000 1.030 93 S CB 1.598 64.788 63.200 -0.018 0.000 1.031 93 S HN 0.561 8.861 8.310 -0.017 0.000 0.483 94 G N 3.624 112.469 108.800 0.076 0.000 2.393 94 G HA2 0.505 4.520 3.960 0.092 0.000 0.264 94 G HA3 0.505 4.731 3.960 0.143 -0.181 0.264 94 G C -3.437 171.546 174.900 0.139 0.000 1.221 94 G CA 0.895 46.063 45.100 0.114 0.000 0.912 94 G HN 0.355 8.695 8.290 0.084 0.000 0.483 95 Q N -3.607 116.286 119.800 0.154 0.000 2.418 95 Q HA 0.852 5.486 4.340 0.198 -0.176 0.282 95 Q C -2.476 173.634 176.000 0.183 0.000 1.044 95 Q CA -2.012 53.893 55.803 0.169 0.000 0.813 95 Q CB 4.451 33.266 28.738 0.128 0.000 1.428 95 Q HN 0.112 8.475 8.270 0.155 0.000 0.402 96 Y N 2.480 122.829 120.300 0.081 0.000 2.361 96 Y HA 0.715 5.466 4.550 0.042 -0.175 0.332 96 Y C -2.275 173.681 175.900 0.094 0.000 1.101 96 Y CA -1.704 56.432 58.100 0.060 0.000 1.137 96 Y CB 2.754 41.225 38.460 0.019 0.000 1.207 96 Y HN 0.623 8.974 8.280 0.306 0.112 0.463 97 V N 6.462 125.970 119.914 -0.677 0.000 2.525 97 V HA 0.284 4.200 4.120 -0.339 0.000 0.299 97 V C -1.398 174.233 176.094 -0.771 0.000 1.034 97 V CA -1.162 60.849 62.300 -0.482 0.000 0.863 97 V CB 3.302 35.021 31.823 -0.173 0.000 0.999 97 V HN 0.201 7.989 8.190 -0.670 0.000 0.423 98 G N 4.421 112.868 108.800 -0.588 0.000 2.583 98 G HA2 0.530 4.328 3.960 -0.270 0.000 0.280 98 G HA3 0.530 4.497 3.960 0.012 0.000 0.280 98 G C -0.711 174.160 174.900 -0.049 0.000 1.376 98 G CA -1.538 43.415 45.100 -0.245 0.000 1.043 98 G HN 0.323 8.400 8.290 -0.355 0.000 0.538 99 G N -2.507 106.314 108.800 0.035 0.000 2.362 99 G HA2 -0.244 3.739 3.960 0.038 0.000 0.517 99 G HA3 -0.244 3.725 3.960 0.015 0.000 0.517 99 G C -0.424 174.495 174.900 0.033 0.000 1.256 99 G CA -0.778 44.340 45.100 0.030 0.000 1.027 99 G HN -0.204 8.138 8.290 0.086 0.000 0.491 100 A N -0.153 122.682 122.820 0.024 0.000 1.892 100 A HA -0.148 4.182 4.320 0.017 0.000 0.218 100 A C 0.352 177.950 177.584 0.023 0.000 1.188 100 A CA 1.946 53.995 52.037 0.020 0.000 0.631 100 A CB 0.079 19.089 19.000 0.017 0.000 0.822 100 A HN 0.197 8.360 8.150 0.022 0.000 0.447 101 E N -1.509 118.709 120.200 0.030 0.000 2.173 101 E HA 0.103 4.479 4.350 0.044 0.000 0.249 101 E C -2.194 174.447 176.600 0.068 0.000 0.923 101 E CA -1.655 54.773 56.400 0.047 0.000 0.754 101 E CB -0.774 28.955 29.700 0.048 0.000 1.177 101 E HN -0.079 8.297 8.360 0.026 -0.000 0.430 102 A N 4.641 127.517 122.820 0.094 0.000 2.388 102 A HA 0.320 4.831 4.320 0.034 -0.171 0.257 102 A C -0.649 177.141 177.584 0.345 0.000 1.095 102 A CA 0.016 52.151 52.037 0.164 0.000 0.791 102 A CB 1.079 20.245 19.000 0.277 0.000 1.029 102 A HN 0.230 8.421 8.150 0.069 0.000 0.489 103 R N -1.797 118.881 120.500 0.297 0.000 2.764 103 R HA 0.867 5.786 4.340 0.679 -0.172 0.270 103 R C -1.567 174.844 176.300 0.184 0.000 1.014 103 R CA -1.657 54.670 56.100 0.378 0.000 0.904 103 R CB 3.705 34.141 30.300 0.228 0.000 1.236 103 R HN 0.301 8.603 8.270 0.053 0.000 0.466 104 I N 0.291 120.977 120.570 0.193 0.000 2.439 104 I HA 0.430 4.849 4.170 0.120 -0.177 0.283 104 I C -1.704 174.594 176.117 0.301 0.000 1.023 104 I CA -0.990 60.394 61.300 0.140 0.000 1.100 104 I CB 2.352 40.321 38.000 -0.051 0.000 1.238 104 I HN 0.387 8.799 8.210 0.337 0.000 0.445 105 N N 9.038 127.876 118.700 0.231 0.000 2.425 105 N HA 0.512 5.406 4.740 0.255 0.000 0.268 105 N C -0.940 174.717 175.510 0.244 0.000 0.991 105 N CA 0.067 53.253 53.050 0.226 0.000 0.931 105 N CB 2.316 40.890 38.487 0.146 0.000 1.130 105 N HN 0.504 8.991 8.380 0.179 0.000 0.493 106 T N 0.454 115.193 114.554 0.308 0.000 2.887 106 T HA 0.796 5.421 4.350 0.202 -0.154 0.292 106 T C -1.095 173.757 174.700 0.253 0.000 1.087 106 T CA -2.511 59.767 62.100 0.297 0.000 1.009 106 T CB 3.623 72.770 68.868 0.465 0.000 1.203 106 T HN 0.812 9.256 8.240 0.340 0.000 0.518 107 Q N 0.276 120.162 119.800 0.143 0.000 2.394 107 Q HA 0.816 5.267 4.340 -0.087 -0.163 0.273 107 Q C -1.692 174.277 176.000 -0.051 0.000 1.089 107 Q CA -0.955 54.828 55.803 -0.033 0.000 0.812 107 Q CB 4.951 33.648 28.738 -0.067 0.000 1.353 107 Q HN 0.124 8.468 8.270 0.124 0.000 0.438 108 W N -1.707 119.480 121.300 -0.188 0.000 3.029 108 W HA 0.980 5.529 4.660 -0.422 -0.142 0.339 108 W C -2.940 173.379 176.519 -0.333 0.000 1.198 108 W CA -2.784 54.303 57.345 -0.430 0.000 1.148 108 W CB 3.348 32.252 29.460 -0.927 0.000 1.451 108 W HN 1.042 8.644 8.180 -0.785 0.107 0.564 109 L N -0.606 120.629 121.223 0.020 0.000 2.381 109 L HA 0.777 5.326 4.340 0.005 -0.206 0.274 109 L C -1.784 175.107 176.870 0.036 0.000 0.988 109 L CA -1.180 53.667 54.840 0.012 0.000 0.824 109 L CB 2.974 44.995 42.059 -0.063 0.000 1.263 109 L HN 0.599 8.769 8.230 -0.100 0.000 0.410 110 L N 5.574 126.867 121.223 0.117 0.000 2.316 110 L HA 0.748 5.265 4.340 -0.023 -0.191 0.280 110 L C -1.720 175.162 176.870 0.020 0.000 1.006 110 L CA -1.563 53.300 54.840 0.038 0.000 0.836 110 L CB 2.819 44.899 42.059 0.036 0.000 1.221 110 L HN 0.728 9.055 8.230 0.162 0.000 0.418 111 T N 9.582 124.139 114.554 0.005 0.000 2.824 111 T HA 0.715 5.280 4.350 -0.017 -0.225 0.280 111 T C -0.627 174.082 174.700 0.015 0.000 0.995 111 T CA -0.774 61.324 62.100 -0.004 0.000 1.009 111 T CB 1.885 70.746 68.868 -0.011 0.000 0.955 111 T HN 0.725 8.967 8.240 0.003 0.000 0.452 112 S N 5.461 121.161 115.700 -0.000 0.000 2.593 112 S HA 0.420 5.049 4.470 0.054 -0.127 0.297 112 S C -0.206 174.403 174.600 0.016 0.000 1.112 112 S CA -0.407 57.805 58.200 0.019 0.000 1.043 112 S CB 2.548 65.744 63.200 -0.007 0.000 1.054 112 S HN 0.362 8.658 8.310 -0.024 0.000 0.516 113 G N 2.404 111.228 108.800 0.040 0.000 2.349 113 G HA2 0.052 4.017 3.960 0.008 0.000 0.281 113 G HA3 0.052 4.025 3.960 0.020 0.000 0.281 113 G C -0.744 174.150 174.900 -0.011 0.000 1.182 113 G CA 0.088 45.196 45.100 0.015 0.000 0.899 113 G HN 0.334 8.673 8.290 0.081 0.000 0.455 114 T N 2.053 116.595 114.554 -0.020 0.000 2.807 114 T HA 0.188 4.520 4.350 -0.030 0.000 0.277 114 T C -0.772 173.918 174.700 -0.017 0.000 1.006 114 T CA -1.824 60.260 62.100 -0.027 0.000 1.006 114 T CB 2.481 71.324 68.868 -0.043 0.000 1.274 114 T HN -0.217 8.013 8.240 -0.016 0.000 0.569 115 T N -3.074 111.475 114.554 -0.009 0.000 2.927 115 T HA 0.151 4.500 4.350 -0.001 0.000 0.281 115 T C 1.137 175.849 174.700 0.021 0.000 0.998 115 T CA -1.554 60.548 62.100 0.004 0.000 1.019 115 T CB 1.379 70.251 68.868 0.007 0.000 1.061 115 T HN -0.116 8.117 8.240 -0.011 0.000 0.518 116 E N 1.987 122.204 120.200 0.028 0.000 2.114 116 E HA -0.445 3.931 4.350 0.043 0.000 0.199 116 E C 2.540 179.189 176.600 0.081 0.000 1.008 116 E CA 3.468 59.895 56.400 0.046 0.000 0.810 116 E CB -0.967 28.756 29.700 0.038 0.000 0.739 116 E HN 0.572 8.945 8.360 0.020 0.000 0.456 117 A N -0.923 121.945 122.820 0.080 0.000 1.986 117 A HA -0.200 4.197 4.320 0.129 0.000 0.220 117 A C 0.650 178.366 177.584 0.219 0.000 1.171 117 A CA 2.569 54.682 52.037 0.126 0.000 0.640 117 A CB -0.659 18.396 19.000 0.092 0.000 0.811 117 A HN 0.263 8.433 8.150 0.056 0.014 0.451 118 N N -4.317 114.456 118.700 0.121 0.000 2.236 118 N HA 0.106 4.883 4.740 0.062 0.000 0.196 118 N C 0.998 176.458 175.510 -0.084 0.000 1.114 118 N CA 0.343 53.403 53.050 0.016 0.000 0.859 118 N CB 0.991 39.447 38.487 -0.053 0.000 0.982 118 N HN -0.423 7.860 8.380 0.072 0.141 0.493 119 A N 1.811 124.652 122.820 0.036 0.000 1.978 119 A HA -0.161 4.139 4.320 -0.033 0.000 0.220 119 A C 1.867 179.459 177.584 0.012 0.000 1.170 119 A CA 2.902 54.947 52.037 0.014 0.000 0.636 119 A CB -0.552 18.483 19.000 0.059 0.000 0.810 119 A HN -0.264 7.747 8.150 0.093 0.196 0.448 120 W N -4.903 116.394 121.300 -0.005 0.000 2.421 120 W HA -0.206 4.449 4.660 -0.008 0.000 0.270 120 W C -0.569 175.946 176.519 -0.008 0.000 1.233 120 W CA 0.308 57.649 57.345 -0.007 0.000 1.226 120 W CB -0.753 28.702 29.460 -0.008 0.000 1.121 120 W HN 0.072 8.449 8.180 0.361 0.020 0.579 121 K N -0.162 119.704 120.400 -0.890 0.000 3.202 121 K HA 0.390 4.384 4.320 -0.543 0.000 0.206 121 K C -0.610 175.725 176.600 -0.441 0.000 1.142 121 K CA -0.894 54.894 56.287 -0.831 0.000 0.979 121 K CB -1.079 30.512 32.500 -1.516 0.000 0.863 121 K HN -0.562 6.981 8.250 -0.953 0.135 0.479 122 S N -0.085 115.455 115.700 -0.266 0.000 2.503 122 S HA 0.029 4.403 4.470 -0.160 0.000 0.217 122 S C -0.658 173.882 174.600 -0.101 0.000 0.999 122 S CA 1.324 59.433 58.200 -0.152 0.000 0.914 122 S CB 0.924 64.069 63.200 -0.092 0.000 0.782 122 S HN -0.336 7.770 8.310 -0.226 0.068 0.520 123 T N 4.759 119.254 114.554 -0.099 0.000 2.792 123 T HA 0.626 5.192 4.350 -0.040 -0.240 0.280 123 T C -0.531 174.133 174.700 -0.060 0.000 0.990 123 T CA 0.247 62.311 62.100 -0.060 0.000 0.960 123 T CB 2.058 70.898 68.868 -0.048 0.000 0.939 123 T HN -0.750 7.375 8.240 -0.124 0.040 0.439 124 L N 6.155 127.367 121.223 -0.018 0.000 2.334 124 L HA 0.523 4.829 4.340 -0.057 0.000 0.272 124 L C -1.596 175.230 176.870 -0.074 0.000 1.020 124 L CA -0.789 54.045 54.840 -0.009 0.000 0.812 124 L CB 2.715 44.838 42.059 0.106 0.000 1.264 124 L HN 0.663 8.902 8.230 0.014 0.000 0.439 125 V N 0.839 120.589 119.914 -0.274 0.000 2.789 125 V HA 0.993 4.976 4.120 -0.592 -0.218 0.311 125 V C -1.496 173.992 176.094 -1.010 0.000 1.073 125 V CA -2.563 59.403 62.300 -0.557 0.000 0.921 125 V CB 3.599 35.230 31.823 -0.320 0.000 1.009 125 V HN 0.037 8.090 8.190 -0.227 0.000 0.426 126 G N 5.095 112.825 108.800 -1.784 0.000 2.682 126 G HA2 0.337 3.869 3.960 -0.713 0.000 0.303 126 G HA3 0.337 3.091 3.960 -2.009 0.000 0.303 126 G C -3.343 170.818 174.900 -1.231 0.000 1.341 126 G CA 0.032 44.189 45.100 -1.571 0.000 0.784 126 G HN 0.035 7.197 8.290 -1.880 0.000 0.497 127 H N -4.115 114.621 119.070 -0.555 0.000 2.930 127 H HA 0.541 5.108 4.556 -0.142 -0.097 0.371 127 H C -1.733 173.742 175.328 0.245 0.000 1.169 127 H CA -1.649 54.324 56.048 -0.125 0.000 1.157 127 H CB 3.581 33.283 29.762 -0.100 0.000 1.789 127 H HN 0.065 7.880 8.280 -0.774 0.000 0.547 128 D N 0.690 121.313 120.400 0.371 0.000 2.661 128 D HA 0.472 5.260 4.640 0.075 -0.102 0.228 128 D C -1.652 174.711 176.300 0.106 0.000 1.183 128 D CA -0.315 53.796 54.000 0.185 0.000 0.844 128 D CB 4.885 45.753 40.800 0.114 0.000 1.555 128 D HN 0.303 8.822 8.370 0.434 0.111 0.453 129 T N 3.133 117.639 114.554 -0.081 0.000 2.841 129 T HA 0.786 5.457 4.350 0.207 -0.196 0.285 129 T C -1.062 173.586 174.700 -0.086 0.000 0.991 129 T CA -0.302 61.834 62.100 0.060 0.000 0.966 129 T CB 2.109 71.047 68.868 0.117 0.000 0.962 129 T HN 0.301 8.743 8.240 -0.171 -0.305 0.438 130 F N 7.088 127.208 119.950 0.282 0.000 2.480 130 F HA 0.936 5.904 4.527 0.373 -0.217 0.329 130 F C -0.414 175.712 175.800 0.543 0.000 1.091 130 F CA -1.670 56.561 58.000 0.385 0.000 0.972 130 F CB 3.607 42.819 39.000 0.354 0.000 1.150 130 F HN 0.865 9.470 8.300 0.508 0.000 0.467 131 T N -3.198 111.812 114.554 0.760 0.000 2.865 131 T HA 0.580 5.504 4.350 0.727 -0.138 0.294 131 T C 0.173 175.111 174.700 0.397 0.000 1.119 131 T CA -1.943 60.505 62.100 0.579 0.000 1.007 131 T CB 3.406 72.458 68.868 0.308 0.000 1.225 131 T HN 0.700 9.353 8.240 0.688 0.000 0.515 132 K N 0.946 121.337 120.400 -0.016 0.000 2.437 132 K HA 0.130 4.470 4.320 -0.234 -0.161 0.198 132 K C -1.346 175.313 176.600 0.099 0.000 1.024 132 K CA 0.336 56.508 56.287 -0.191 0.000 1.148 132 K CB 0.227 32.429 32.500 -0.496 0.000 0.860 132 K HN 0.448 8.680 8.250 -0.030 0.000 0.515 133 V N 0.000 120.005 119.914 0.151 0.000 2.409 133 V HA 0.000 4.103 4.120 -0.029 0.000 0.244 133 V CA 0.000 62.313 62.300 0.021 0.000 1.235 133 V CB 0.000 31.829 31.823 0.010 0.000 1.184 133 V HN 0.000 8.210 8.190 0.195 0.097 0.556