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 1vwj_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 4.396 4.320 0.127 0.000 0.244 13 A C 0.000 177.546 177.584 -0.064 0.000 1.274 13 A CA 0.000 52.081 52.037 0.073 0.000 0.836 13 A CB 0.000 19.046 19.000 0.077 0.000 0.831 14 E N 4.393 124.587 120.200 -0.011 0.000 2.086 14 E HA -0.491 3.618 4.350 -0.402 0.000 0.200 14 E C 1.144 177.630 176.600 -0.190 0.000 1.012 14 E CA 3.572 59.880 56.400 -0.154 0.000 0.812 14 E CB -0.584 29.123 29.700 0.013 0.000 0.743 14 E HN 0.727 9.150 8.360 0.106 0.000 0.453 15 A N 0.060 122.820 122.820 -0.100 0.000 1.849 15 A HA -0.352 3.913 4.320 -0.091 0.000 0.217 15 A C 2.423 179.941 177.584 -0.110 0.000 1.202 15 A CA 2.772 54.757 52.037 -0.087 0.000 0.629 15 A CB -1.042 17.935 19.000 -0.038 0.000 0.834 15 A HN 0.145 8.264 8.150 -0.052 0.000 0.447 16 G N -1.815 106.929 108.800 -0.093 0.000 2.547 16 G HA2 -0.259 3.739 3.960 0.063 0.000 0.221 16 G HA3 -0.259 3.727 3.960 0.043 0.000 0.221 16 G C 0.808 175.619 174.900 -0.149 0.000 1.140 16 G CA 1.826 46.902 45.100 -0.040 0.000 0.760 16 G HN 0.334 8.587 8.290 -0.062 0.000 0.583 17 I N 0.281 120.583 120.570 -0.446 0.000 2.406 17 I HA -0.148 3.982 4.170 -0.066 0.000 0.249 17 I C 0.202 176.298 176.117 -0.035 0.000 1.122 17 I CA 1.996 63.102 61.300 -0.323 0.000 1.431 17 I CB 0.331 37.934 38.000 -0.662 0.000 1.087 17 I HN -0.947 6.947 8.210 -0.504 0.014 0.424 18 T N 1.552 116.007 114.554 -0.166 0.000 2.934 18 T HA -0.279 4.160 4.350 -0.190 -0.203 0.306 18 T C -0.028 174.606 174.700 -0.110 0.000 1.042 18 T CA 3.381 65.391 62.100 -0.150 0.000 1.145 18 T CB 0.082 68.856 68.868 -0.158 0.000 0.982 18 T HN -0.376 7.650 8.240 -0.232 0.075 0.544 19 G N 5.236 113.946 108.800 -0.149 0.000 2.302 19 G HA2 -0.160 3.562 3.960 -0.214 0.000 0.276 19 G HA3 -0.160 3.714 3.960 -0.315 -0.103 0.276 19 G C -2.879 171.856 174.900 -0.276 0.000 1.316 19 G CA 0.168 45.125 45.100 -0.238 0.000 0.988 19 G HN 0.268 8.451 8.290 -0.178 0.000 0.479 20 T N 2.582 116.898 114.554 -0.397 0.000 2.823 20 T HA 0.899 5.238 4.350 -0.296 -0.167 0.279 20 T C -1.113 173.238 174.700 -0.580 0.000 0.998 20 T CA 0.480 62.347 62.100 -0.390 0.000 0.994 20 T CB 2.278 70.956 68.868 -0.318 0.000 0.960 20 T HN 0.338 8.204 8.240 -0.426 0.119 0.448 21 W N 3.560 124.569 121.300 -0.485 0.000 2.962 21 W HA 0.667 5.364 4.660 -0.224 -0.172 0.341 21 W C -1.733 174.474 176.519 -0.520 0.000 1.155 21 W CA -1.246 55.922 57.345 -0.294 0.000 1.165 21 W CB 3.966 33.474 29.460 0.079 0.000 1.435 21 W HN 0.946 9.009 8.180 -0.194 0.000 0.546 22 Y N -3.011 117.583 120.300 0.489 0.000 2.581 22 Y HA 0.933 5.883 4.550 0.300 -0.220 0.345 22 Y C -0.974 175.091 175.900 0.275 0.000 1.036 22 Y CA -1.893 56.395 58.100 0.314 0.000 1.042 22 Y CB 3.942 42.494 38.460 0.153 0.000 1.289 22 Y HN 0.573 9.098 8.280 0.409 0.000 0.471 23 N N -0.205 118.641 118.700 0.242 0.000 2.815 23 N HA 0.670 5.512 4.740 -0.118 -0.173 0.315 23 N C 1.941 177.466 175.510 0.024 0.000 1.320 23 N CA -2.725 50.255 53.050 -0.116 0.000 0.846 23 N CB 1.976 40.080 38.487 -0.639 0.000 1.344 23 N HN -0.164 8.397 8.380 0.302 0.000 0.593 24 Q N -1.236 118.557 119.800 -0.012 0.000 2.437 24 Q HA -0.132 4.237 4.340 0.048 0.000 0.210 24 Q C 0.246 176.270 176.000 0.040 0.000 0.972 24 Q CA 2.246 58.070 55.803 0.034 0.000 0.903 24 Q CB -0.855 27.907 28.738 0.040 0.000 0.967 24 Q HN 0.334 8.558 8.270 -0.076 0.000 0.486 25 L N -2.373 118.878 121.223 0.046 0.000 2.477 25 L HA 0.151 4.518 4.340 0.044 0.000 0.220 25 L C 0.930 177.837 176.870 0.061 0.000 1.106 25 L CA 0.086 54.959 54.840 0.056 0.000 0.851 25 L CB 0.721 42.823 42.059 0.072 0.000 0.994 25 L HN -0.437 7.990 8.230 0.034 -0.177 0.462 26 G N -2.675 106.172 108.800 0.078 0.000 2.148 26 G HA2 -0.293 3.693 3.960 0.043 0.000 0.203 26 G HA3 -0.293 3.690 3.960 0.037 0.000 0.203 26 G C -0.088 174.891 174.900 0.131 0.000 0.993 26 G CA -0.329 44.813 45.100 0.069 0.000 0.661 26 G HN -0.437 7.897 8.290 0.086 0.008 0.518 27 S N 2.023 117.832 115.700 0.182 0.000 2.632 27 S HA 0.295 4.917 4.470 0.163 -0.053 0.271 27 S C -0.860 173.875 174.600 0.224 0.000 1.260 27 S CA 0.495 58.802 58.200 0.178 0.000 1.010 27 S CB 1.318 64.651 63.200 0.222 0.000 0.965 27 S HN -0.332 8.363 8.310 0.171 -0.283 0.534 28 T N 4.166 118.762 114.554 0.070 0.000 2.823 28 T HA 0.594 5.178 4.350 0.113 -0.166 0.279 28 T C -1.567 172.968 174.700 -0.275 0.000 0.998 28 T CA 0.120 62.243 62.100 0.039 0.000 0.994 28 T CB 1.853 70.808 68.868 0.145 0.000 0.960 28 T HN 0.324 8.557 8.240 -0.011 0.000 0.448 29 F N 8.603 128.300 119.950 -0.422 0.000 2.507 29 F HA 0.711 5.055 4.527 -0.544 -0.143 0.328 29 F C -3.090 172.527 175.800 -0.304 0.000 1.136 29 F CA -2.404 55.300 58.000 -0.493 0.000 0.930 29 F CB 3.691 42.317 39.000 -0.623 0.000 1.166 29 F HN 0.913 9.128 8.300 -0.141 0.000 0.436 30 I N 7.972 128.207 120.570 -0.558 0.000 2.418 30 I HA 0.616 4.712 4.170 -0.423 -0.180 0.287 30 I C -2.325 173.396 176.117 -0.659 0.000 1.008 30 I CA -1.197 59.821 61.300 -0.470 0.000 1.104 30 I CB 2.656 40.501 38.000 -0.260 0.000 1.264 30 I HN 0.936 8.877 8.210 -0.450 0.000 0.438 31 V N 8.637 128.141 119.914 -0.683 0.000 3.007 31 V HA 0.787 4.735 4.120 -0.562 -0.164 0.311 31 V C -2.379 173.487 176.094 -0.379 0.000 1.120 31 V CA -2.716 59.194 62.300 -0.651 0.000 0.980 31 V CB 5.282 36.463 31.823 -1.069 0.000 1.033 31 V HN 0.767 8.641 8.190 -0.527 0.000 0.429 32 T N 9.380 123.755 114.554 -0.298 0.000 2.841 32 T HA 0.303 4.528 4.350 -0.209 0.000 0.285 32 T C -2.152 172.429 174.700 -0.198 0.000 0.991 32 T CA -0.745 61.229 62.100 -0.209 0.000 0.966 32 T CB 2.153 70.934 68.868 -0.144 0.000 0.962 32 T HN 0.425 8.488 8.240 -0.295 0.000 0.438 33 A N 7.158 129.846 122.820 -0.221 0.000 2.276 33 A HA 0.823 5.232 4.320 -0.161 -0.186 0.316 33 A C -0.840 176.729 177.584 -0.025 0.000 1.229 33 A CA -2.045 49.852 52.037 -0.234 0.000 0.851 33 A CB 1.528 20.138 19.000 -0.650 0.000 1.165 33 A HN 0.457 8.474 8.150 -0.222 0.000 0.513 34 G N 0.849 109.718 108.800 0.115 0.000 2.437 34 G HA2 0.276 4.262 3.960 0.043 0.000 0.319 34 G HA3 0.276 4.276 3.960 0.066 0.000 0.319 34 G C -0.029 174.965 174.900 0.157 0.000 1.158 34 G CA -1.493 43.662 45.100 0.092 0.000 0.899 34 G HN 0.320 8.721 8.290 0.185 0.000 0.502 35 A N 0.604 123.476 122.820 0.087 0.000 2.076 35 A HA -0.233 4.150 4.320 0.105 0.000 0.220 35 A C 0.931 178.525 177.584 0.016 0.000 1.160 35 A CA 2.263 54.341 52.037 0.067 0.000 0.653 35 A CB -0.212 18.807 19.000 0.032 0.000 0.801 35 A HN 0.563 8.745 8.150 0.053 0.000 0.455 36 D N -6.033 114.372 120.400 0.007 0.000 2.325 36 D HA -0.136 4.473 4.640 -0.051 0.000 0.234 36 D C 0.259 176.494 176.300 -0.108 0.000 1.122 36 D CA -0.984 52.993 54.000 -0.040 0.000 0.850 36 D CB -1.377 39.413 40.800 -0.016 0.000 0.921 36 D HN -0.265 8.077 8.370 0.032 0.047 0.513 37 G N -1.995 106.676 108.800 -0.214 0.000 2.159 37 G HA2 -0.497 2.548 3.960 -1.525 0.000 0.256 37 G HA3 -0.497 3.204 3.960 -0.431 0.000 0.256 37 G C -1.273 173.586 174.900 -0.067 0.000 0.977 37 G CA 0.286 45.063 45.100 -0.539 0.000 0.652 37 G HN -0.229 7.913 8.290 -0.125 0.074 0.531 38 A N -0.316 122.577 122.820 0.122 0.000 2.302 38 A HA 0.491 4.999 4.320 0.119 -0.117 0.285 38 A C -1.981 175.730 177.584 0.212 0.000 1.105 38 A CA -1.175 50.949 52.037 0.146 0.000 0.816 38 A CB 2.427 21.471 19.000 0.073 0.000 1.067 38 A HN -0.383 7.999 8.150 0.102 -0.171 0.489 39 L N 1.770 123.072 121.223 0.132 0.000 2.409 39 L HA 0.855 5.360 4.340 -0.029 -0.182 0.272 39 L C -1.012 175.852 176.870 -0.010 0.000 0.980 39 L CA -0.485 54.377 54.840 0.036 0.000 0.826 39 L CB 4.318 46.431 42.059 0.089 0.000 1.268 39 L HN -0.061 8.240 8.230 0.118 0.000 0.407 40 T N 5.753 120.259 114.554 -0.080 0.000 2.900 40 T HA 0.827 5.321 4.350 -0.044 -0.171 0.303 40 T C -1.214 173.393 174.700 -0.156 0.000 1.142 40 T CA -1.420 60.633 62.100 -0.077 0.000 1.007 40 T CB 3.683 72.520 68.868 -0.052 0.000 1.156 40 T HN 0.095 8.260 8.240 -0.125 0.000 0.490 41 G N 0.661 109.379 108.800 -0.136 0.000 2.344 41 G HA2 0.254 4.110 3.960 -0.172 0.000 0.282 41 G HA3 0.254 4.218 3.960 -0.319 -0.196 0.282 41 G C -2.855 171.983 174.900 -0.103 0.000 1.281 41 G CA 0.921 45.907 45.100 -0.190 0.000 0.877 41 G HN -0.248 7.994 8.290 -0.080 0.000 0.494 42 T N -2.001 112.487 114.554 -0.110 0.000 2.906 42 T HA 0.916 5.488 4.350 0.072 -0.179 0.295 42 T C -2.414 172.336 174.700 0.082 0.000 1.061 42 T CA -2.112 59.997 62.100 0.015 0.000 1.000 42 T CB 3.605 72.476 68.868 0.005 0.000 1.103 42 T HN 0.223 8.340 8.240 -0.205 0.000 0.486 43 Y N 2.956 123.322 120.300 0.110 0.000 2.409 43 Y HA 0.633 5.466 4.550 0.184 -0.173 0.343 43 Y C -2.375 173.719 175.900 0.322 0.000 0.973 43 Y CA -1.837 56.385 58.100 0.203 0.000 1.064 43 Y CB 3.836 42.401 38.460 0.176 0.000 1.207 43 Y HN 0.734 9.213 8.280 0.330 0.000 0.452 44 E N 6.354 126.634 120.200 0.132 0.000 2.238 44 E HA 0.911 5.792 4.350 0.434 -0.271 0.267 44 E C -0.507 176.275 176.600 0.303 0.000 0.887 44 E CA -2.647 53.919 56.400 0.276 0.000 0.769 44 E CB 4.397 34.184 29.700 0.145 0.000 1.187 44 E HN 1.020 9.099 8.360 -0.283 0.111 0.416 45 S N 2.265 118.194 115.700 0.382 0.000 2.593 45 S HA -0.158 4.523 4.470 0.352 0.000 0.269 45 S C -0.201 174.508 174.600 0.181 0.000 1.334 45 S CA 0.149 58.529 58.200 0.299 0.000 1.015 45 S CB 0.966 64.322 63.200 0.260 0.000 0.912 45 S HN -0.005 8.553 8.310 0.413 0.000 0.541 46 A N 4.620 127.526 122.820 0.143 0.000 2.513 46 A HA -0.206 4.357 4.320 0.100 -0.184 0.274 46 A C 0.045 177.666 177.584 0.061 0.000 1.115 46 A CA 0.577 52.670 52.037 0.093 0.000 0.792 46 A CB -0.738 18.307 19.000 0.075 0.000 1.053 46 A HN 0.412 8.651 8.150 0.148 0.000 0.515 47 V N 2.858 122.800 119.914 0.046 0.000 1.880 47 V HA -0.387 3.742 4.120 0.014 0.000 0.263 47 V C 0.606 176.721 176.094 0.035 0.000 0.812 47 V CA 1.232 63.545 62.300 0.023 0.000 2.918 47 V CB -0.721 31.106 31.823 0.007 0.000 1.136 47 V HN -0.045 8.175 8.190 0.050 0.000 0.243 48 G N -1.110 107.701 108.800 0.019 0.000 2.270 48 G HA2 -0.294 3.672 3.960 0.009 0.000 0.224 48 G HA3 -0.294 3.687 3.960 0.034 0.000 0.224 48 G C -0.937 173.966 174.900 0.005 0.000 1.079 48 G CA -0.338 44.773 45.100 0.018 0.000 0.807 48 G HN 0.407 8.702 8.290 0.009 0.000 0.492 49 N N -2.175 116.520 118.700 -0.008 0.000 6.750 49 N HA -0.348 4.375 4.740 -0.027 0.000 0.412 49 N C 0.575 176.066 175.510 -0.033 0.000 0.937 49 N CA 0.963 53.995 53.050 -0.030 0.000 1.334 49 N CB 0.029 38.483 38.487 -0.055 0.000 0.815 49 N HN -0.143 8.234 8.380 -0.006 0.000 0.330 50 A N -0.219 122.563 122.820 -0.064 0.000 1.874 50 A HA -0.115 4.184 4.320 -0.035 0.000 0.214 50 A C 1.052 178.567 177.584 -0.115 0.000 1.189 50 A CA 1.850 53.845 52.037 -0.071 0.000 0.615 50 A CB 0.115 19.070 19.000 -0.075 0.000 0.830 50 A HN 0.236 8.341 8.150 -0.075 0.000 0.443 51 E N -3.436 116.620 120.200 -0.241 0.000 2.385 51 E HA -0.173 4.002 4.350 -0.291 0.000 0.201 51 E C -0.904 175.577 176.600 -0.198 0.000 1.250 51 E CA 0.454 56.619 56.400 -0.392 0.000 1.104 51 E CB -2.092 26.938 29.700 -1.115 0.000 1.174 51 E HN 0.419 8.623 8.360 -0.259 0.000 0.461 52 S N -1.152 114.506 115.700 -0.070 0.000 2.624 52 S HA 0.150 4.680 4.470 0.100 0.000 0.246 52 S C -1.479 173.203 174.600 0.137 0.000 1.072 52 S CA -0.265 57.988 58.200 0.087 0.000 1.045 52 S CB 0.721 64.014 63.200 0.155 0.000 0.851 52 S HN -0.228 7.919 8.310 -0.054 0.130 0.480 53 R N 0.266 120.713 120.500 -0.088 0.000 2.393 53 R HA 0.621 5.315 4.340 0.234 -0.213 0.310 53 R C -1.170 175.007 176.300 -0.205 0.000 0.968 53 R CA -1.020 55.089 56.100 0.015 0.000 0.867 53 R CB 2.596 32.904 30.300 0.013 0.000 1.124 53 R HN -0.628 7.442 8.270 -0.174 0.095 0.450 54 Y N 1.313 121.732 120.300 0.198 0.000 2.536 54 Y HA 0.209 4.831 4.550 0.120 0.000 0.347 54 Y C -0.905 175.036 175.900 0.070 0.000 1.000 54 Y CA -1.485 56.694 58.100 0.131 0.000 1.051 54 Y CB 2.928 41.459 38.460 0.117 0.000 1.259 54 Y HN 0.530 9.101 8.280 0.484 0.000 0.468 55 V N 1.405 121.419 119.914 0.167 0.000 2.649 55 V HA 0.050 4.341 4.120 0.073 -0.128 0.292 55 V C -0.593 175.543 176.094 0.070 0.000 1.055 55 V CA 1.223 63.575 62.300 0.086 0.000 1.023 55 V CB 0.504 32.357 31.823 0.051 0.000 0.992 55 V HN 0.759 9.051 8.190 0.170 0.000 0.480 56 L N 0.981 122.239 121.223 0.059 0.000 2.371 56 L HA 1.083 5.651 4.340 0.090 -0.173 0.262 56 L C -1.560 175.348 176.870 0.064 0.000 1.006 56 L CA -1.677 53.215 54.840 0.086 0.000 0.818 56 L CB 4.308 46.441 42.059 0.123 0.000 1.354 56 L HN 0.201 8.452 8.230 0.035 0.000 0.415 57 T N 0.362 114.984 114.554 0.113 0.000 2.916 57 T HA 0.729 5.302 4.350 0.059 -0.188 0.305 57 T C -1.432 173.373 174.700 0.175 0.000 1.119 57 T CA -1.674 60.483 62.100 0.095 0.000 1.008 57 T CB 2.402 71.308 68.868 0.063 0.000 1.129 57 T HN -0.229 8.110 8.240 0.165 0.000 0.480 58 G N 2.025 110.924 108.800 0.165 0.000 2.554 58 G HA2 0.652 4.737 3.960 0.208 0.000 0.306 58 G HA3 0.652 4.937 3.960 0.330 -0.127 0.306 58 G C -2.984 172.026 174.900 0.184 0.000 1.320 58 G CA 0.609 45.845 45.100 0.227 0.000 0.800 58 G HN 0.398 8.678 8.290 0.117 0.080 0.481 59 R N -3.321 117.305 120.500 0.209 0.000 2.740 59 R HA 1.155 5.828 4.340 0.195 -0.216 0.273 59 R C -1.623 174.833 176.300 0.260 0.000 0.998 59 R CA -2.327 53.883 56.100 0.184 0.000 0.900 59 R CB 4.729 35.081 30.300 0.087 0.000 1.223 59 R HN 0.144 8.557 8.270 0.238 0.000 0.466 60 Y N -2.573 117.757 120.300 0.051 0.000 2.644 60 Y HA 0.581 5.293 4.550 0.073 -0.119 0.338 60 Y C -2.039 173.884 175.900 0.039 0.000 1.119 60 Y CA -2.761 55.371 58.100 0.053 0.000 1.060 60 Y CB 2.315 40.794 38.460 0.032 0.000 1.294 60 Y HN 0.441 8.732 8.280 0.019 0.000 0.472 61 D N -0.345 120.061 120.400 0.010 0.000 2.352 61 D HA 0.173 4.722 4.640 -0.152 0.000 0.245 61 D C 0.131 176.321 176.300 -0.184 0.000 1.224 61 D CA -0.769 53.178 54.000 -0.089 0.000 0.879 61 D CB 0.436 41.262 40.800 0.044 0.000 1.057 61 D HN -0.040 8.462 8.370 0.221 0.000 0.491 62 S N 6.058 121.510 115.700 -0.413 0.000 2.555 62 S HA -0.286 4.094 4.470 -0.150 0.000 0.230 62 S C -0.291 174.295 174.600 -0.025 0.000 0.978 62 S CA 0.908 58.944 58.200 -0.272 0.000 0.934 62 S CB 0.281 63.275 63.200 -0.343 0.000 0.766 62 S HN 0.112 8.169 8.310 -0.420 0.000 0.533 63 A N 0.610 123.417 122.820 -0.022 0.000 3.258 63 A HA 0.520 4.864 4.320 0.039 0.000 0.318 63 A C -2.843 174.764 177.584 0.038 0.000 0.990 63 A CA -3.137 48.911 52.037 0.018 0.000 0.885 63 A CB 0.436 19.435 19.000 -0.001 0.000 1.090 63 A HN -0.631 7.554 8.150 -0.057 -0.069 0.479 64 P HA 0.069 4.738 4.420 0.076 -0.204 0.281 64 P C -0.958 176.381 177.300 0.064 0.000 1.274 64 P CA -0.417 62.734 63.100 0.085 0.000 0.794 64 P CB 1.165 32.944 31.700 0.132 0.000 1.201 65 A N -3.144 119.713 122.820 0.063 0.000 2.304 65 A HA 0.294 4.638 4.320 0.041 0.000 0.301 65 A C 0.904 178.519 177.584 0.051 0.000 1.132 65 A CA -1.636 50.430 52.037 0.048 0.000 0.819 65 A CB 1.915 20.940 19.000 0.042 0.000 1.094 65 A HN -0.281 7.912 8.150 0.071 0.000 0.492 66 T N 1.364 115.943 114.554 0.042 0.000 4.313 66 T HA -0.033 4.346 4.350 0.048 0.000 0.272 66 T C -1.497 173.224 174.700 0.035 0.000 1.298 66 T CA -0.250 61.875 62.100 0.040 0.000 1.124 66 T CB -1.569 67.319 68.868 0.034 0.000 1.352 66 T HN 0.306 8.579 8.240 0.036 -0.012 1.013 67 D N 0.557 120.980 120.400 0.039 0.000 2.838 67 D HA 0.034 4.691 4.640 0.029 0.000 0.334 67 D C -0.589 175.732 176.300 0.034 0.000 1.315 67 D CA -1.081 52.938 54.000 0.032 0.000 0.917 67 D CB 1.578 42.395 40.800 0.028 0.000 1.435 67 D HN 0.303 8.449 8.370 0.046 0.251 0.517 68 G N -1.695 107.121 108.800 0.028 0.000 3.636 68 G HA2 0.151 4.127 3.960 0.027 0.000 0.260 68 G HA3 0.151 4.122 3.960 0.019 0.000 0.260 68 G C -0.834 174.080 174.900 0.024 0.000 1.014 68 G CA -0.436 44.678 45.100 0.024 0.000 1.797 68 G HN -0.138 8.167 8.290 0.024 0.000 0.637 69 S N 1.317 117.037 115.700 0.034 0.000 2.664 69 S HA 0.170 4.658 4.470 0.031 0.000 0.304 69 S C -0.548 174.082 174.600 0.049 0.000 1.099 69 S CA -0.708 57.516 58.200 0.039 0.000 1.003 69 S CB 2.879 66.105 63.200 0.044 0.000 1.092 69 S HN -0.613 7.652 8.310 0.041 0.070 0.525 70 G N -0.732 108.100 108.800 0.053 0.000 2.502 70 G HA2 0.254 4.318 3.960 0.054 0.000 0.305 70 G HA3 0.254 4.251 3.960 0.061 0.000 0.305 70 G C -0.885 174.089 174.900 0.124 0.000 1.190 70 G CA -0.953 44.191 45.100 0.072 0.000 0.933 70 G HN 0.017 8.336 8.290 0.047 0.000 0.503 71 T N 3.978 118.650 114.554 0.197 0.000 2.743 71 T HA 0.122 4.584 4.350 0.186 0.000 0.292 71 T C -0.901 173.928 174.700 0.215 0.000 0.972 71 T CA 0.343 62.585 62.100 0.236 0.000 0.967 71 T CB 0.736 69.815 68.868 0.353 0.000 0.926 71 T HN 0.285 8.659 8.240 0.225 0.000 0.459 72 A N 8.124 131.044 122.820 0.166 0.000 2.371 72 A HA 0.630 5.218 4.320 0.144 -0.182 0.257 72 A C -1.484 176.211 177.584 0.186 0.000 1.089 72 A CA -0.844 51.281 52.037 0.147 0.000 0.794 72 A CB 1.282 20.343 19.000 0.101 0.000 1.029 72 A HN 0.736 8.972 8.150 0.143 0.000 0.488 73 L N -5.312 116.023 121.223 0.187 0.000 2.765 73 L HA 1.077 5.701 4.340 0.231 -0.145 0.263 73 L C -1.529 175.465 176.870 0.206 0.000 1.068 73 L CA -1.469 53.512 54.840 0.234 0.000 0.903 73 L CB 3.729 45.959 42.059 0.286 0.000 1.512 73 L HN 0.107 8.433 8.230 0.160 0.000 0.404 74 G N -3.765 105.190 108.800 0.259 0.000 2.632 74 G HA2 0.735 4.891 3.960 0.054 0.000 0.292 74 G HA3 0.735 4.750 3.960 0.091 0.000 0.292 74 G C -3.415 171.689 174.900 0.339 0.000 1.465 74 G CA 0.791 45.995 45.100 0.174 0.000 0.824 74 G HN -0.158 8.315 8.290 0.306 0.000 0.509 75 W N -3.054 118.311 121.300 0.108 0.000 3.005 75 W HA 0.789 5.597 4.660 0.074 -0.104 0.343 75 W C -3.062 173.543 176.519 0.144 0.000 1.243 75 W CA -1.673 55.729 57.345 0.094 0.000 1.186 75 W CB 2.215 31.709 29.460 0.057 0.000 1.453 75 W HN 0.368 8.449 8.180 -0.165 0.000 0.575 76 T N 0.962 115.696 114.554 0.299 0.000 2.900 76 T HA 0.888 5.480 4.350 0.072 -0.200 0.295 76 T C -1.601 173.177 174.700 0.130 0.000 1.044 76 T CA -0.530 61.654 62.100 0.139 0.000 0.995 76 T CB 3.190 72.083 68.868 0.043 0.000 1.072 76 T HN 0.494 8.952 8.240 0.363 0.000 0.473 77 V N 3.484 123.351 119.914 -0.077 0.000 2.623 77 V HA 0.336 4.479 4.120 -0.201 -0.145 0.304 77 V C -2.385 173.334 176.094 -0.624 0.000 1.054 77 V CA -1.196 60.879 62.300 -0.376 0.000 0.882 77 V CB 4.000 35.372 31.823 -0.752 0.000 1.002 77 V HN 0.564 8.671 8.190 -0.138 0.000 0.424 78 A N 5.209 127.777 122.820 -0.420 0.000 2.292 78 A HA 0.562 4.808 4.320 -0.307 -0.110 0.319 78 A C -0.402 177.003 177.584 -0.298 0.000 1.206 78 A CA -1.741 50.124 52.037 -0.287 0.000 0.835 78 A CB 1.883 20.829 19.000 -0.090 0.000 1.164 78 A HN 0.671 8.662 8.150 -0.264 0.000 0.505 79 W N 5.020 126.273 121.300 -0.079 0.000 1.438 79 W HA -0.072 4.361 4.660 -0.380 0.000 0.455 79 W C -1.462 175.096 176.519 0.065 0.000 0.656 79 W CA -1.246 55.998 57.345 -0.168 0.000 2.049 79 W CB -0.642 28.650 29.460 -0.280 0.000 1.683 79 W HN 0.775 8.936 8.180 -0.031 0.000 0.228 80 K N 1.341 121.968 120.400 0.379 0.000 2.525 80 K HA 0.796 5.517 4.320 0.287 -0.229 0.254 80 K C -1.988 174.783 176.600 0.285 0.000 0.934 80 K CA -1.050 55.402 56.287 0.275 0.000 0.802 80 K CB 3.370 35.924 32.500 0.090 0.000 1.295 80 K HN -0.222 8.176 8.250 0.358 0.067 0.433 81 N N 4.604 123.403 118.700 0.165 0.000 3.439 81 N HA 0.233 4.980 4.740 0.012 0.000 0.313 81 N C -0.841 174.627 175.510 -0.070 0.000 1.598 81 N CA -1.259 51.796 53.050 0.008 0.000 0.830 81 N CB 0.885 39.271 38.487 -0.168 0.000 1.849 81 N HN 0.851 9.329 8.380 0.163 0.000 0.598 82 N N -1.230 117.335 118.700 -0.226 0.000 2.550 82 N HA -0.001 4.581 4.740 -0.263 0.000 0.186 82 N C 0.041 175.197 175.510 -0.589 0.000 1.110 82 N CA 2.203 54.984 53.050 -0.448 0.000 0.912 82 N CB 0.195 38.272 38.487 -0.683 0.000 0.968 82 N HN 0.120 8.379 8.380 -0.202 0.000 0.448 83 Y N -2.536 117.752 120.300 -0.019 0.000 2.558 83 Y HA 0.064 4.616 4.550 0.004 0.000 0.273 83 Y C 0.076 175.993 175.900 0.029 0.000 1.100 83 Y CA 1.439 59.539 58.100 -0.000 0.000 1.276 83 Y CB 1.279 39.730 38.460 -0.015 0.000 1.196 83 Y HN -0.229 8.230 8.280 -0.087 -0.232 0.527 84 R N -3.504 117.112 120.500 0.195 0.000 2.808 84 R HA 0.405 4.824 4.340 0.133 0.000 0.272 84 R C -2.653 173.739 176.300 0.154 0.000 0.995 84 R CA -2.140 54.067 56.100 0.179 0.000 0.917 84 R CB 3.368 33.819 30.300 0.252 0.000 1.217 84 R HN 0.219 9.000 8.270 0.184 -0.401 0.471 85 N N 0.282 119.026 118.700 0.075 0.000 2.621 85 N HA 0.310 5.217 4.740 0.016 -0.157 0.271 85 N C -1.418 174.017 175.510 -0.126 0.000 1.181 85 N CA -0.002 53.004 53.050 -0.073 0.000 0.805 85 N CB 1.548 39.880 38.487 -0.259 0.000 1.351 85 N HN 0.266 8.690 8.380 0.074 0.000 0.539 86 A N 2.122 124.941 122.820 -0.002 0.000 2.302 86 A HA 0.039 4.386 4.320 0.045 0.000 0.219 86 A C 0.552 178.182 177.584 0.077 0.000 1.243 86 A CA -0.526 51.528 52.037 0.029 0.000 0.856 86 A CB 0.152 19.148 19.000 -0.006 0.000 0.893 86 A HN 1.089 9.194 8.150 0.101 0.106 0.491 87 H N -1.170 117.957 119.070 0.096 0.000 2.557 87 H HA -0.375 4.227 4.556 0.076 0.000 0.319 87 H C -1.879 173.491 175.328 0.071 0.000 1.102 87 H CA 1.340 57.431 56.048 0.072 0.000 1.126 87 H CB -2.801 26.987 29.762 0.042 0.000 1.498 87 H HN 0.244 8.544 8.280 -0.357 -0.235 0.411 88 S N -5.338 110.470 115.700 0.180 0.000 2.596 88 S HA 0.855 5.517 4.470 0.129 -0.115 0.270 88 S C -2.547 172.201 174.600 0.247 0.000 1.155 88 S CA -0.713 57.600 58.200 0.189 0.000 0.827 88 S CB 4.167 67.457 63.200 0.151 0.000 1.130 88 S HN -0.405 8.007 8.310 0.176 0.004 0.467 89 A N -1.360 121.556 122.820 0.160 0.000 2.515 89 A HA 0.832 5.187 4.320 -0.188 -0.148 0.298 89 A C -2.304 175.267 177.584 -0.021 0.000 1.059 89 A CA -0.484 51.543 52.037 -0.017 0.000 0.698 89 A CB 3.912 22.879 19.000 -0.055 0.000 1.289 89 A HN 0.694 8.917 8.150 0.122 0.000 0.404 90 T N 3.968 118.417 114.554 -0.174 0.000 2.863 90 T HA 1.040 5.479 4.350 -0.218 -0.220 0.285 90 T C -0.725 173.736 174.700 -0.398 0.000 1.009 90 T CA -1.397 60.514 62.100 -0.316 0.000 0.989 90 T CB 2.897 71.440 68.868 -0.541 0.000 1.004 90 T HN 0.827 8.846 8.240 -0.368 0.000 0.455 91 T N 1.186 115.494 114.554 -0.409 0.000 2.861 91 T HA 0.787 5.225 4.350 -0.187 -0.201 0.287 91 T C -1.691 172.770 174.700 -0.399 0.000 1.003 91 T CA -1.640 60.291 62.100 -0.281 0.000 0.977 91 T CB 2.339 71.121 68.868 -0.144 0.000 0.996 91 T HN 0.489 8.507 8.240 -0.370 0.000 0.448 92 W N 4.258 125.187 121.300 -0.617 0.000 2.529 92 W HA 0.408 5.048 4.660 -0.272 -0.143 0.321 92 W C -1.380 174.806 176.519 -0.555 0.000 1.047 92 W CA -1.386 55.550 57.345 -0.681 0.000 1.216 92 W CB 3.142 31.708 29.460 -1.490 0.000 1.357 92 W HN 0.761 8.744 8.180 -0.328 0.000 0.489 93 S N 2.424 118.067 115.700 -0.095 0.000 2.519 93 S HA 0.733 5.311 4.470 -0.041 -0.133 0.309 93 S C -0.987 173.625 174.600 0.020 0.000 1.100 93 S CA -1.602 56.574 58.200 -0.040 0.000 1.059 93 S CB 1.458 64.642 63.200 -0.028 0.000 1.008 93 S HN 0.599 8.888 8.310 -0.035 0.000 0.478 94 G N 4.499 113.335 108.800 0.060 0.000 2.578 94 G HA2 0.600 4.610 3.960 0.084 0.000 0.302 94 G HA3 0.600 4.801 3.960 0.128 -0.164 0.302 94 G C -3.294 171.680 174.900 0.123 0.000 1.243 94 G CA 0.671 45.831 45.100 0.100 0.000 0.843 94 G HN 0.528 8.861 8.290 0.072 0.000 0.486 95 Q N -2.136 117.745 119.800 0.134 0.000 2.389 95 Q HA 0.816 5.462 4.340 0.166 -0.206 0.277 95 Q C -1.990 174.109 176.000 0.165 0.000 1.082 95 Q CA -1.641 54.249 55.803 0.144 0.000 0.810 95 Q CB 5.335 34.135 28.738 0.102 0.000 1.374 95 Q HN 0.038 8.389 8.270 0.135 0.000 0.422 96 Y N 4.043 124.390 120.300 0.079 0.000 2.320 96 Y HA 0.454 5.183 4.550 0.048 -0.150 0.334 96 Y C -2.410 173.552 175.900 0.103 0.000 1.055 96 Y CA -1.624 56.517 58.100 0.068 0.000 1.143 96 Y CB 2.464 40.952 38.460 0.046 0.000 1.193 96 Y HN 0.848 9.186 8.280 0.286 0.114 0.477 97 V N 8.003 127.579 119.914 -0.563 0.000 2.409 97 V HA 0.322 4.250 4.120 -0.320 0.000 0.290 97 V C -1.144 174.557 176.094 -0.655 0.000 1.017 97 V CA -1.577 60.469 62.300 -0.424 0.000 0.841 97 V CB 2.557 34.294 31.823 -0.143 0.000 1.003 97 V HN 0.578 8.482 8.190 -0.477 0.000 0.426 98 G N 4.625 113.063 108.800 -0.603 0.000 2.557 98 G HA2 0.476 4.265 3.960 -0.285 0.000 0.292 98 G HA3 0.476 4.388 3.960 -0.080 0.000 0.292 98 G C -0.969 173.888 174.900 -0.072 0.000 1.237 98 G CA -1.215 43.717 45.100 -0.279 0.000 0.978 98 G HN 0.353 8.386 8.290 -0.428 0.000 0.498 99 G N -2.279 106.526 108.800 0.009 0.000 2.339 99 G HA2 -0.163 3.810 3.960 0.021 0.000 0.275 99 G HA3 -0.163 3.799 3.960 0.004 0.000 0.275 99 G C -1.112 173.803 174.900 0.025 0.000 1.323 99 G CA -0.302 44.807 45.100 0.015 0.000 0.927 99 G HN -0.173 8.149 8.290 0.054 0.000 0.486 100 A N -0.919 121.911 122.820 0.018 0.000 1.970 100 A HA 0.018 4.345 4.320 0.012 0.000 0.216 100 A C 0.580 178.171 177.584 0.011 0.000 1.170 100 A CA 1.125 53.170 52.037 0.013 0.000 0.645 100 A CB 0.264 19.270 19.000 0.009 0.000 0.816 100 A HN 0.104 8.263 8.150 0.015 0.000 0.447 101 E N -0.483 119.729 120.200 0.020 0.000 2.261 101 E HA 0.083 4.448 4.350 0.025 0.000 0.239 101 E C -1.920 174.711 176.600 0.051 0.000 0.991 101 E CA -1.093 55.326 56.400 0.032 0.000 0.847 101 E CB -0.558 29.164 29.700 0.037 0.000 1.223 101 E HN -0.030 8.330 8.360 0.019 0.012 0.446 102 A N 4.038 126.898 122.820 0.066 0.000 2.354 102 A HA 0.169 4.656 4.320 0.025 -0.152 0.269 102 A C -0.874 176.889 177.584 0.298 0.000 1.109 102 A CA -0.212 51.900 52.037 0.125 0.000 0.800 102 A CB 1.779 20.913 19.000 0.224 0.000 1.045 102 A HN 0.017 8.189 8.150 0.036 0.000 0.489 103 R N -1.569 119.101 120.500 0.283 0.000 2.808 103 R HA 0.905 5.806 4.340 0.638 -0.179 0.272 103 R C -1.759 174.697 176.300 0.260 0.000 0.995 103 R CA -2.713 53.617 56.100 0.384 0.000 0.917 103 R CB 4.644 35.073 30.300 0.215 0.000 1.217 103 R HN 0.531 8.846 8.270 0.074 0.000 0.471 104 I N 0.955 121.676 120.570 0.253 0.000 2.439 104 I HA 0.483 4.928 4.170 0.122 -0.201 0.283 104 I C -1.647 174.641 176.117 0.284 0.000 1.023 104 I CA -1.112 60.269 61.300 0.136 0.000 1.100 104 I CB 2.535 40.451 38.000 -0.141 0.000 1.238 104 I HN 0.273 8.713 8.210 0.385 0.000 0.445 105 N N 9.535 128.364 118.700 0.216 0.000 2.425 105 N HA 0.532 5.422 4.740 0.249 0.000 0.268 105 N C -0.634 175.010 175.510 0.224 0.000 0.991 105 N CA -0.753 52.425 53.050 0.212 0.000 0.931 105 N CB 2.154 40.719 38.487 0.129 0.000 1.130 105 N HN 0.371 8.849 8.380 0.164 0.000 0.493 106 T N -0.021 114.708 114.554 0.293 0.000 2.887 106 T HA 0.682 5.284 4.350 0.182 -0.143 0.292 106 T C -0.969 173.879 174.700 0.247 0.000 1.087 106 T CA -2.028 60.240 62.100 0.280 0.000 1.009 106 T CB 3.291 72.418 68.868 0.431 0.000 1.203 106 T HN 0.771 9.211 8.240 0.332 0.000 0.518 107 Q N -0.078 119.809 119.800 0.144 0.000 2.375 107 Q HA 0.712 5.183 4.340 -0.047 -0.159 0.271 107 Q C -1.524 174.454 176.000 -0.037 0.000 1.074 107 Q CA -0.811 54.985 55.803 -0.012 0.000 0.808 107 Q CB 4.453 33.155 28.738 -0.060 0.000 1.327 107 Q HN 0.115 8.456 8.270 0.118 0.000 0.441 108 W N -0.754 120.430 121.300 -0.193 0.000 2.975 108 W HA 0.916 5.454 4.660 -0.434 -0.139 0.342 108 W C -2.892 173.423 176.519 -0.341 0.000 1.168 108 W CA -2.869 54.213 57.345 -0.437 0.000 1.141 108 W CB 3.416 32.336 29.460 -0.901 0.000 1.445 108 W HN 0.956 8.554 8.180 -0.789 0.109 0.560 109 L N -0.311 120.947 121.223 0.058 0.000 2.376 109 L HA 0.763 5.314 4.340 0.011 -0.204 0.275 109 L C -1.732 175.187 176.870 0.082 0.000 0.987 109 L CA -1.278 53.584 54.840 0.038 0.000 0.828 109 L CB 2.775 44.802 42.059 -0.055 0.000 1.249 109 L HN 0.418 8.604 8.230 -0.073 0.000 0.409 110 L N 5.739 127.066 121.223 0.174 0.000 2.298 110 L HA 0.678 5.169 4.340 -0.015 -0.160 0.284 110 L C -1.853 175.037 176.870 0.032 0.000 1.013 110 L CA -1.678 53.198 54.840 0.061 0.000 0.824 110 L CB 2.915 45.007 42.059 0.056 0.000 1.221 110 L HN 0.851 9.215 8.230 0.223 0.000 0.418 111 T N 9.775 124.337 114.554 0.013 0.000 2.797 111 T HA 0.612 5.155 4.350 -0.013 -0.201 0.279 111 T C -0.804 173.908 174.700 0.019 0.000 0.991 111 T CA -0.289 61.812 62.100 0.001 0.000 0.979 111 T CB 1.756 70.620 68.868 -0.007 0.000 0.943 111 T HN 0.884 9.132 8.240 0.012 0.000 0.444 112 S N 6.411 122.112 115.700 0.002 0.000 2.593 112 S HA 0.406 5.030 4.470 0.052 -0.123 0.297 112 S C -0.277 174.332 174.600 0.015 0.000 1.112 112 S CA -0.531 57.679 58.200 0.018 0.000 1.043 112 S CB 2.524 65.717 63.200 -0.011 0.000 1.054 112 S HN 0.117 8.414 8.310 -0.022 0.000 0.516 113 G N 1.468 110.293 108.800 0.041 0.000 2.355 113 G HA2 0.042 4.012 3.960 0.016 0.000 0.276 113 G HA3 0.042 4.023 3.960 0.036 0.000 0.276 113 G C -1.258 173.636 174.900 -0.010 0.000 1.198 113 G CA 0.292 45.405 45.100 0.022 0.000 0.876 113 G HN 0.316 8.653 8.290 0.077 0.000 0.478 114 T N 1.713 116.256 114.554 -0.018 0.000 2.858 114 T HA 0.292 4.621 4.350 -0.034 0.000 0.285 114 T C -0.702 173.989 174.700 -0.015 0.000 1.052 114 T CA -1.705 60.379 62.100 -0.027 0.000 1.009 114 T CB 2.679 71.521 68.868 -0.042 0.000 1.241 114 T HN -0.082 8.151 8.240 -0.011 0.000 0.542 115 T N -3.151 111.399 114.554 -0.008 0.000 2.862 115 T HA 0.158 4.508 4.350 0.000 0.000 0.276 115 T C 1.145 175.858 174.700 0.022 0.000 0.974 115 T CA -1.277 60.826 62.100 0.004 0.000 0.966 115 T CB 1.237 70.109 68.868 0.007 0.000 1.072 115 T HN -0.132 8.102 8.240 -0.010 0.000 0.538 116 E N 1.061 121.278 120.200 0.028 0.000 2.048 116 E HA -0.488 3.886 4.350 0.040 0.000 0.202 116 E C 2.094 178.740 176.600 0.077 0.000 1.021 116 E CA 3.484 59.910 56.400 0.043 0.000 0.825 116 E CB -0.353 29.367 29.700 0.035 0.000 0.756 116 E HN 0.462 8.835 8.360 0.021 0.000 0.454 117 A N -2.555 120.313 122.820 0.079 0.000 2.032 117 A HA -0.159 4.240 4.320 0.130 0.000 0.221 117 A C 0.889 178.609 177.584 0.227 0.000 1.165 117 A CA 2.368 54.482 52.037 0.129 0.000 0.645 117 A CB -0.600 18.457 19.000 0.095 0.000 0.807 117 A HN 0.289 8.473 8.150 0.057 0.000 0.453 118 N N -3.338 115.442 118.700 0.134 0.000 2.214 118 N HA 0.116 4.945 4.740 0.148 0.000 0.214 118 N C 0.624 176.094 175.510 -0.065 0.000 1.132 118 N CA -0.143 52.936 53.050 0.049 0.000 0.856 118 N CB 0.582 39.042 38.487 -0.046 0.000 1.020 118 N HN -0.689 7.612 8.380 0.077 0.126 0.509 119 A N 1.671 124.524 122.820 0.054 0.000 1.940 119 A HA -0.163 4.140 4.320 -0.028 0.000 0.219 119 A C 1.725 179.313 177.584 0.006 0.000 1.176 119 A CA 3.346 55.395 52.037 0.019 0.000 0.631 119 A CB -0.486 18.551 19.000 0.062 0.000 0.814 119 A HN -0.060 7.965 8.150 0.117 0.195 0.446 120 W N -4.279 117.017 121.300 -0.006 0.000 2.331 120 W HA -0.261 4.393 4.660 -0.009 0.000 0.291 120 W C -0.244 176.270 176.519 -0.009 0.000 1.214 120 W CA 1.062 58.402 57.345 -0.008 0.000 1.228 120 W CB -1.049 28.406 29.460 -0.009 0.000 1.135 120 W HN -0.001 8.384 8.180 0.360 0.011 0.537 121 K N -1.950 117.916 120.400 -0.890 0.000 2.832 121 K HA 0.384 4.339 4.320 -0.608 0.000 0.211 121 K C 0.298 176.637 176.600 -0.436 0.000 1.112 121 K CA -0.524 55.247 56.287 -0.860 0.000 1.108 121 K CB -0.296 31.325 32.500 -1.465 0.000 0.899 121 K HN -0.693 6.829 8.250 -0.996 0.131 0.464 122 S N -0.829 114.713 115.700 -0.263 0.000 2.496 122 S HA -0.099 4.274 4.470 -0.160 0.000 0.224 122 S C -0.458 174.079 174.600 -0.104 0.000 0.996 122 S CA 1.823 59.932 58.200 -0.152 0.000 0.927 122 S CB 0.822 63.967 63.200 -0.091 0.000 0.774 122 S HN -0.090 7.945 8.310 -0.221 0.142 0.524 123 T N 4.436 118.928 114.554 -0.103 0.000 2.779 123 T HA 0.588 5.134 4.350 -0.040 -0.220 0.280 123 T C -0.731 173.931 174.700 -0.064 0.000 0.987 123 T CA -0.086 61.976 62.100 -0.064 0.000 0.966 123 T CB 1.938 70.775 68.868 -0.051 0.000 0.933 123 T HN -0.715 7.415 8.240 -0.126 0.035 0.442 124 L N 7.804 129.017 121.223 -0.017 0.000 2.344 124 L HA 0.388 4.688 4.340 -0.067 0.000 0.272 124 L C -1.687 175.124 176.870 -0.099 0.000 1.035 124 L CA -0.861 53.972 54.840 -0.011 0.000 0.807 124 L CB 2.207 44.340 42.059 0.123 0.000 1.237 124 L HN 0.921 9.060 8.230 0.020 0.104 0.442 125 V N 0.684 120.397 119.914 -0.335 0.000 2.789 125 V HA 0.915 4.799 4.120 -0.743 -0.209 0.311 125 V C -1.029 174.400 176.094 -1.109 0.000 1.073 125 V CA -2.398 59.506 62.300 -0.661 0.000 0.921 125 V CB 3.479 35.085 31.823 -0.362 0.000 1.009 125 V HN -0.037 7.990 8.190 -0.271 0.000 0.426 126 G N 5.115 112.833 108.800 -1.803 0.000 2.634 126 G HA2 0.275 3.696 3.960 -0.898 0.000 0.309 126 G HA3 0.275 3.092 3.960 -1.905 0.000 0.309 126 G C -3.338 170.812 174.900 -1.249 0.000 1.299 126 G CA 0.321 44.464 45.100 -1.595 0.000 0.798 126 G HN -0.048 7.148 8.290 -1.823 0.000 0.490 127 H N -4.106 114.678 119.070 -0.476 0.000 2.974 127 H HA 0.437 5.025 4.556 -0.088 -0.084 0.366 127 H C -1.892 173.586 175.328 0.250 0.000 1.155 127 H CA -1.413 54.588 56.048 -0.077 0.000 1.186 127 H CB 3.445 33.157 29.762 -0.082 0.000 1.799 127 H HN 0.071 7.835 8.280 -0.860 0.000 0.541 128 D N 1.531 122.215 120.400 0.474 0.000 2.732 128 D HA 0.431 5.290 4.640 0.197 -0.100 0.229 128 D C -1.151 175.238 176.300 0.149 0.000 1.152 128 D CA -0.481 53.677 54.000 0.264 0.000 0.854 128 D CB 4.645 45.522 40.800 0.129 0.000 1.590 128 D HN 0.065 8.746 8.370 0.518 0.000 0.468 129 T N 3.654 118.192 114.554 -0.025 0.000 2.824 129 T HA 0.700 5.373 4.350 0.226 -0.187 0.282 129 T C -1.219 173.437 174.700 -0.072 0.000 0.993 129 T CA -0.240 61.909 62.100 0.082 0.000 0.967 129 T CB 2.224 71.164 68.868 0.119 0.000 0.960 129 T HN 0.294 8.783 8.240 -0.084 -0.299 0.441 130 F N 5.807 125.899 119.950 0.237 0.000 2.480 130 F HA 0.695 5.624 4.527 0.315 -0.213 0.329 130 F C -0.032 176.064 175.800 0.492 0.000 1.091 130 F CA -1.616 56.580 58.000 0.327 0.000 0.972 130 F CB 3.386 42.523 39.000 0.228 0.000 1.150 130 F HN 0.878 9.374 8.300 0.505 0.107 0.467 131 T N 4.234 119.175 114.554 0.645 0.000 2.823 131 T HA 0.397 5.021 4.350 0.458 0.000 0.279 131 T C -1.186 173.690 174.700 0.294 0.000 0.998 131 T CA -0.493 61.874 62.100 0.444 0.000 0.994 131 T CB 2.133 71.163 68.868 0.271 0.000 0.960 131 T HN 0.834 9.425 8.240 0.585 0.000 0.448 132 K N 6.790 127.080 120.400 -0.182 0.000 2.249 132 K HA 0.062 3.798 4.320 -1.194 -0.133 0.280 132 K C -1.207 175.159 176.600 -0.389 0.000 1.033 132 K CA 0.617 56.368 56.287 -0.893 0.000 0.946 132 K CB 0.795 32.440 32.500 -1.425 0.000 1.005 132 K HN -0.248 7.963 8.250 -0.065 0.000 0.469 133 V N 5.974 125.668 119.914 -0.367 0.000 3.219 133 V HA 0.143 4.218 4.120 -0.076 0.000 0.240 133 V C -0.594 175.409 176.094 -0.151 0.000 1.222 133 V CA -0.162 62.063 62.300 -0.125 0.000 1.181 133 V CB 2.487 34.385 31.823 0.125 0.000 0.941 133 V HN 0.843 8.591 8.190 -0.553 0.109 0.471 134 K N -1.129 119.130 120.400 -0.235 0.000 2.482 134 K HA 0.502 4.737 4.320 -0.141 0.000 0.257 134 K C -2.476 173.981 176.600 -0.238 0.000 0.969 134 K CA -3.017 53.162 56.287 -0.180 0.000 0.842 134 K CB 2.395 34.824 32.500 -0.119 0.000 1.359 134 K HN -0.656 7.385 8.250 -0.347 0.000 0.441 135 P HA 0.000 4.303 4.420 -0.195 0.000 0.216 135 P CA 0.000 63.003 63.100 -0.161 0.000 0.800 135 P CB 0.000 31.630 31.700 -0.117 0.000 0.726