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 2izk_1_A 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 4.370 4.320 0.084 0.000 0.244 13 A C 0.000 177.510 177.584 -0.124 0.000 1.274 13 A CA 0.000 52.102 52.037 0.109 0.000 0.836 13 A CB 0.000 19.120 19.000 0.200 0.000 0.831 14 E N 0.775 120.820 120.200 -0.258 0.000 3.378 14 E HA -0.667 3.230 4.350 -0.754 0.000 0.207 14 E C 0.966 177.422 176.600 -0.240 0.000 1.048 14 E CA 3.595 59.788 56.400 -0.345 0.000 1.889 14 E CB -0.380 29.317 29.700 -0.005 0.000 1.773 14 E HN 0.640 8.854 8.360 -0.243 0.000 0.325 15 A N 0.178 122.934 122.820 -0.107 0.000 1.865 15 A HA -0.346 3.924 4.320 -0.084 0.000 0.217 15 A C 1.385 178.908 177.584 -0.102 0.000 1.191 15 A CA 2.263 54.252 52.037 -0.079 0.000 0.623 15 A CB -0.545 18.439 19.000 -0.025 0.000 0.826 15 A HN 0.200 8.320 8.150 -0.049 0.000 0.444 16 G N -2.537 106.217 108.800 -0.076 0.000 2.462 16 G HA2 -0.240 3.739 3.960 0.032 0.000 0.220 16 G HA3 -0.240 3.800 3.960 0.133 0.000 0.220 16 G C 0.555 175.343 174.900 -0.186 0.000 1.121 16 G CA 1.201 46.287 45.100 -0.024 0.000 0.758 16 G HN -0.055 8.212 8.290 -0.039 0.000 0.559 17 I N -0.018 120.287 120.570 -0.442 0.000 2.333 17 I HA -0.188 3.811 4.170 -0.286 0.000 0.246 17 I C 0.204 176.287 176.117 -0.056 0.000 1.106 17 I CA 2.017 63.089 61.300 -0.380 0.000 1.411 17 I CB 0.298 37.914 38.000 -0.641 0.000 1.082 17 I HN -0.975 6.808 8.210 -0.451 0.156 0.420 18 T N 1.623 116.085 114.554 -0.154 0.000 2.905 18 T HA -0.353 4.119 4.350 -0.122 -0.195 0.299 18 T C 0.228 174.842 174.700 -0.142 0.000 1.024 18 T CA 3.421 65.445 62.100 -0.126 0.000 1.151 18 T CB -0.043 68.748 68.868 -0.129 0.000 0.987 18 T HN -0.565 7.545 8.240 -0.216 0.000 0.535 19 G N 5.565 114.255 108.800 -0.183 0.000 2.325 19 G HA2 -0.191 3.612 3.960 -0.262 0.000 0.285 19 G HA3 -0.191 3.517 3.960 -0.420 0.000 0.285 19 G C -2.895 171.739 174.900 -0.443 0.000 1.303 19 G CA -0.303 44.601 45.100 -0.325 0.000 0.970 19 G HN 0.225 8.423 8.290 -0.153 0.000 0.490 20 T N 2.210 116.405 114.554 -0.598 0.000 2.824 20 T HA 0.700 4.857 4.350 -0.606 -0.171 0.280 20 T C -1.049 173.041 174.700 -1.017 0.000 0.995 20 T CA 0.740 62.430 62.100 -0.684 0.000 1.009 20 T CB 1.266 69.840 68.868 -0.490 0.000 0.955 20 T HN 0.022 7.927 8.240 -0.559 0.000 0.452 21 W N 4.416 125.113 121.300 -1.005 0.000 2.844 21 W HA 0.513 5.069 4.660 -0.433 -0.156 0.340 21 W C -1.685 174.421 176.519 -0.688 0.000 1.093 21 W CA -1.433 55.461 57.345 -0.750 0.000 1.212 21 W CB 3.805 32.728 29.460 -0.895 0.000 1.422 21 W HN 0.762 8.424 8.180 -0.864 0.000 0.515 22 Y N -1.794 118.713 120.300 0.345 0.000 2.499 22 Y HA 0.838 5.738 4.550 0.256 -0.196 0.347 22 Y C -0.862 175.235 175.900 0.328 0.000 0.987 22 Y CA -2.019 56.249 58.100 0.280 0.000 1.044 22 Y CB 3.151 41.681 38.460 0.117 0.000 1.245 22 Y HN 0.945 9.509 8.280 0.474 0.000 0.461 23 N N 0.189 119.066 118.700 0.296 0.000 2.619 23 N HA 0.706 5.615 4.740 -0.056 -0.203 0.294 23 N C 1.935 177.480 175.510 0.059 0.000 1.279 23 N CA -2.973 50.051 53.050 -0.043 0.000 0.867 23 N CB 2.164 40.363 38.487 -0.480 0.000 1.329 23 N HN -0.149 8.421 8.380 0.317 0.000 0.557 24 Q N -0.602 119.211 119.800 0.022 0.000 2.439 24 Q HA -0.141 4.239 4.340 0.068 0.000 0.211 24 Q C 0.188 176.228 176.000 0.066 0.000 0.978 24 Q CA 2.309 58.147 55.803 0.058 0.000 0.897 24 Q CB -0.699 28.077 28.738 0.063 0.000 0.956 24 Q HN 0.342 8.590 8.270 -0.037 0.000 0.483 25 L N -2.743 118.526 121.223 0.076 0.000 2.585 25 L HA 0.198 4.578 4.340 0.068 0.000 0.226 25 L C 0.570 177.496 176.870 0.092 0.000 1.113 25 L CA -0.138 54.752 54.840 0.083 0.000 0.876 25 L CB 0.708 42.826 42.059 0.097 0.000 1.072 25 L HN -0.205 8.288 8.230 0.070 -0.220 0.468 26 G N -2.125 106.742 108.800 0.112 0.000 2.159 26 G HA2 -0.342 3.696 3.960 0.130 0.000 0.227 26 G HA3 -0.342 3.676 3.960 0.095 0.000 0.227 26 G C -0.341 174.653 174.900 0.157 0.000 0.986 26 G CA -0.255 44.919 45.100 0.123 0.000 0.651 26 G HN -0.391 7.899 8.290 0.116 0.069 0.523 27 S N 1.481 117.288 115.700 0.179 0.000 2.632 27 S HA 0.239 4.855 4.470 0.130 -0.067 0.267 27 S C -1.018 173.642 174.600 0.101 0.000 1.276 27 S CA 1.282 59.572 58.200 0.150 0.000 0.998 27 S CB 1.660 65.011 63.200 0.252 0.000 0.953 27 S HN -0.223 8.485 8.310 0.182 -0.289 0.547 28 T N 2.475 116.975 114.554 -0.089 0.000 2.912 28 T HA 0.956 5.412 4.350 -0.147 -0.194 0.299 28 T C -1.709 172.797 174.700 -0.322 0.000 1.052 28 T CA -0.540 61.457 62.100 -0.172 0.000 0.996 28 T CB 2.950 71.753 68.868 -0.109 0.000 1.070 28 T HN 0.524 8.667 8.240 -0.162 0.000 0.465 29 F N 2.800 122.462 119.950 -0.479 0.000 2.591 29 F HA 0.961 5.542 4.527 -0.412 -0.301 0.309 29 F C -3.325 172.274 175.800 -0.334 0.000 1.098 29 F CA -2.243 55.470 58.000 -0.479 0.000 0.937 29 F CB 3.738 42.354 39.000 -0.641 0.000 1.250 29 F HN 0.688 8.720 8.300 -0.448 0.000 0.447 30 I N 1.787 122.263 120.570 -0.157 0.000 2.433 30 I HA 0.797 4.960 4.170 -0.350 -0.203 0.292 30 I C -1.942 174.114 176.117 -0.103 0.000 1.001 30 I CA -1.218 59.951 61.300 -0.218 0.000 1.119 30 I CB 2.723 40.625 38.000 -0.163 0.000 1.289 30 I HN 0.570 8.761 8.210 -0.030 0.000 0.438 31 V N 7.357 127.191 119.914 -0.134 0.000 3.078 31 V HA 0.800 5.044 4.120 -0.072 -0.167 0.311 31 V C -2.286 173.746 176.094 -0.104 0.000 1.138 31 V CA -2.692 59.555 62.300 -0.088 0.000 1.007 31 V CB 5.325 37.116 31.823 -0.054 0.000 1.045 31 V HN 0.777 8.851 8.190 -0.192 0.000 0.432 32 T N 8.592 123.092 114.554 -0.090 0.000 2.812 32 T HA 0.282 4.573 4.350 -0.099 0.000 0.282 32 T C -2.133 172.517 174.700 -0.084 0.000 0.990 32 T CA -0.648 61.402 62.100 -0.083 0.000 0.960 32 T CB 1.791 70.626 68.868 -0.055 0.000 0.948 32 T HN 0.528 8.721 8.240 -0.079 0.000 0.438 33 A N 7.857 130.601 122.820 -0.126 0.000 2.253 33 A HA 0.808 5.277 4.320 -0.072 -0.192 0.316 33 A C -0.748 176.841 177.584 0.008 0.000 1.327 33 A CA -2.005 49.938 52.037 -0.157 0.000 0.917 33 A CB 1.179 19.870 19.000 -0.515 0.000 1.162 33 A HN 0.300 8.367 8.150 -0.139 0.000 0.535 34 G N 1.321 110.202 108.800 0.135 0.000 2.507 34 G HA2 0.189 4.188 3.960 0.065 0.000 0.271 34 G HA3 0.189 4.206 3.960 0.095 0.000 0.271 34 G C -0.148 174.865 174.900 0.187 0.000 1.189 34 G CA -1.167 44.005 45.100 0.119 0.000 0.859 34 G HN 0.429 8.712 8.290 0.176 0.113 0.542 35 A N 2.922 125.807 122.820 0.109 0.000 1.940 35 A HA -0.296 4.296 4.320 0.122 -0.199 0.221 35 A C -0.030 177.591 177.584 0.062 0.000 1.190 35 A CA 2.448 54.542 52.037 0.094 0.000 0.647 35 A CB -0.664 18.365 19.000 0.048 0.000 0.821 35 A HN 0.649 8.842 8.150 0.071 0.000 0.457 36 D N -2.094 118.322 120.400 0.026 0.000 2.894 36 D HA -0.035 4.565 4.640 -0.066 0.000 0.248 36 D C -0.263 175.952 176.300 -0.142 0.000 1.291 36 D CA -0.338 53.632 54.000 -0.049 0.000 0.840 36 D CB -0.476 40.307 40.800 -0.029 0.000 1.044 36 D HN -0.296 8.084 8.370 0.042 0.015 0.484 37 G N -0.958 107.659 108.800 -0.305 0.000 2.179 37 G HA2 -0.444 2.496 3.960 -1.838 0.000 0.260 37 G HA3 -0.444 3.229 3.960 -0.477 0.000 0.260 37 G C -1.883 172.949 174.900 -0.113 0.000 0.977 37 G CA 0.478 45.193 45.100 -0.642 0.000 0.641 37 G HN -0.365 7.734 8.290 -0.200 0.071 0.533 38 A N -0.390 122.494 122.820 0.107 0.000 2.302 38 A HA 0.330 4.832 4.320 0.105 -0.119 0.285 38 A C -1.373 176.344 177.584 0.222 0.000 1.105 38 A CA -1.211 50.911 52.037 0.142 0.000 0.816 38 A CB 1.905 20.951 19.000 0.077 0.000 1.067 38 A HN -0.352 7.803 8.150 0.097 0.053 0.489 39 L N 1.439 122.747 121.223 0.142 0.000 2.381 39 L HA 0.912 5.474 4.340 0.032 -0.203 0.274 39 L C -0.519 176.360 176.870 0.016 0.000 0.988 39 L CA -1.402 53.477 54.840 0.065 0.000 0.824 39 L CB 2.899 44.990 42.059 0.053 0.000 1.263 39 L HN 0.111 8.411 8.230 0.116 0.000 0.410 40 T N -1.049 113.494 114.554 -0.019 0.000 2.909 40 T HA 0.836 5.332 4.350 -0.019 -0.157 0.299 40 T C -0.639 174.033 174.700 -0.047 0.000 1.073 40 T CA -2.188 59.898 62.100 -0.023 0.000 0.999 40 T CB 3.306 72.170 68.868 -0.008 0.000 1.098 40 T HN 0.501 8.723 8.240 -0.031 0.000 0.477 41 G N 0.410 109.184 108.800 -0.043 0.000 2.360 41 G HA2 0.358 4.296 3.960 -0.036 0.000 0.276 41 G HA3 0.358 4.489 3.960 -0.049 -0.201 0.276 41 G C -2.768 172.123 174.900 -0.015 0.000 1.256 41 G CA 1.086 46.162 45.100 -0.039 0.000 0.890 41 G HN -0.304 7.967 8.290 -0.032 0.000 0.486 42 T N -2.436 112.121 114.554 0.005 0.000 2.903 42 T HA 0.939 5.493 4.350 0.072 -0.160 0.299 42 T C -2.511 172.255 174.700 0.110 0.000 1.093 42 T CA -2.164 59.970 62.100 0.057 0.000 1.002 42 T CB 3.666 72.557 68.868 0.038 0.000 1.127 42 T HN 0.104 8.342 8.240 -0.004 0.000 0.488 43 Y N 1.731 122.067 120.300 0.060 0.000 2.425 43 Y HA 0.579 5.346 4.550 0.121 -0.144 0.344 43 Y C -2.377 173.683 175.900 0.268 0.000 0.969 43 Y CA -1.839 56.333 58.100 0.119 0.000 1.052 43 Y CB 4.289 42.760 38.460 0.019 0.000 1.215 43 Y HN 0.744 9.190 8.280 0.275 0.000 0.451 44 E N 5.720 126.009 120.200 0.149 0.000 2.216 44 E HA 0.601 5.437 4.350 0.484 -0.196 0.260 44 E C -1.607 175.168 176.600 0.291 0.000 0.880 44 E CA -2.084 54.486 56.400 0.284 0.000 0.765 44 E CB 2.552 32.319 29.700 0.111 0.000 1.174 44 E HN 0.706 8.895 8.360 -0.285 0.000 0.417 45 S N 4.440 120.446 115.700 0.509 0.000 2.554 45 S HA 0.095 4.848 4.470 0.472 0.000 0.278 45 S C -0.086 174.639 174.600 0.208 0.000 1.242 45 S CA -1.703 56.744 58.200 0.412 0.000 1.051 45 S CB 0.869 64.219 63.200 0.250 0.000 0.986 45 S HN 0.465 9.151 8.310 0.626 0.000 0.502 46 A N 6.520 129.437 122.820 0.162 0.000 2.132 46 A HA 0.182 4.558 4.320 0.094 0.000 0.213 46 A C -0.256 177.358 177.584 0.050 0.000 1.154 46 A CA 0.826 52.922 52.037 0.098 0.000 0.753 46 A CB 0.672 19.730 19.000 0.096 0.000 0.826 46 A HN 0.538 8.808 8.150 0.200 0.000 0.469 47 V N -5.893 114.032 119.914 0.019 0.000 3.164 47 V HA 0.361 4.466 4.120 -0.026 0.000 0.313 47 V C 0.050 176.062 176.094 -0.137 0.000 1.188 47 V CA -1.794 60.480 62.300 -0.043 0.000 1.058 47 V CB 2.775 34.573 31.823 -0.041 0.000 1.110 47 V HN -0.634 7.542 8.190 0.040 0.038 0.453 48 G N 0.815 109.523 108.800 -0.153 0.000 2.660 48 G HA2 -0.309 3.517 3.960 -0.224 0.000 0.215 48 G HA3 -0.309 3.418 3.960 -0.388 0.000 0.215 48 G C -0.805 173.985 174.900 -0.184 0.000 1.345 48 G CA 0.000 44.956 45.100 -0.242 0.000 0.877 48 G HN 0.218 8.445 8.290 -0.106 0.000 0.549 49 N N 2.057 120.607 118.700 -0.250 0.000 3.301 49 N HA 0.130 4.835 4.740 -0.059 0.000 0.289 49 N C -2.229 173.194 175.510 -0.144 0.000 1.343 49 N CA -0.828 52.141 53.050 -0.135 0.000 1.136 49 N CB -1.309 37.110 38.487 -0.114 0.000 1.402 49 N HN 0.219 8.372 8.380 -0.379 0.000 0.516 50 A N -1.417 121.355 122.820 -0.080 0.000 2.515 50 A HA 0.335 4.832 4.320 0.294 0.000 0.298 50 A C -2.042 175.708 177.584 0.276 0.000 1.059 50 A CA -1.060 51.046 52.037 0.116 0.000 0.698 50 A CB 3.184 22.087 19.000 -0.163 0.000 1.289 50 A HN -0.662 7.370 8.150 -0.070 0.076 0.404 51 E N 2.691 123.171 120.200 0.468 0.000 2.367 51 E HA 0.280 4.728 4.350 0.163 0.000 0.292 51 E C -1.447 175.201 176.600 0.081 0.000 0.900 51 E CA 0.177 56.704 56.400 0.213 0.000 0.807 51 E CB 2.768 32.549 29.700 0.136 0.000 1.337 51 E HN 0.435 9.300 8.360 0.841 0.000 0.394 52 S N 1.890 117.610 115.700 0.034 0.000 3.954 52 S HA -0.307 4.107 4.470 -0.093 0.000 0.635 52 S C -1.828 172.759 174.600 -0.021 0.000 1.824 52 S CA 0.351 58.485 58.200 -0.111 0.000 2.177 52 S CB -0.051 62.926 63.200 -0.371 0.000 0.326 52 S HN 0.222 8.592 8.310 0.100 0.000 1.592 53 R N 1.368 121.784 120.500 -0.141 0.000 2.474 53 R HA 0.589 5.239 4.340 0.179 -0.203 0.295 53 R C -0.795 175.351 176.300 -0.256 0.000 0.980 53 R CA -0.519 55.560 56.100 -0.035 0.000 0.934 53 R CB 1.911 32.202 30.300 -0.015 0.000 1.101 53 R HN 0.013 8.167 8.270 -0.194 0.000 0.469 54 Y N -0.220 120.164 120.300 0.140 0.000 2.499 54 Y HA 0.200 4.797 4.550 0.079 0.000 0.347 54 Y C -0.591 175.325 175.900 0.027 0.000 0.987 54 Y CA -1.242 56.906 58.100 0.080 0.000 1.044 54 Y CB 2.870 41.352 38.460 0.036 0.000 1.245 54 Y HN 0.550 9.072 8.280 0.403 0.000 0.461 55 V N 1.898 121.892 119.914 0.133 0.000 2.715 55 V HA -0.023 4.251 4.120 0.049 -0.125 0.299 55 V C -0.581 175.530 176.094 0.027 0.000 1.054 55 V CA 1.684 64.019 62.300 0.058 0.000 1.077 55 V CB 0.338 32.180 31.823 0.032 0.000 0.972 55 V HN 0.776 9.048 8.190 0.137 0.000 0.484 56 L N 1.826 123.053 121.223 0.007 0.000 2.388 56 L HA 1.098 5.626 4.340 0.002 -0.187 0.264 56 L C -1.544 175.322 176.870 -0.006 0.000 0.998 56 L CA -1.569 53.265 54.840 -0.010 0.000 0.817 56 L CB 4.416 46.424 42.059 -0.085 0.000 1.338 56 L HN 0.245 8.478 8.230 0.004 0.000 0.414 57 T N 1.317 115.892 114.554 0.036 0.000 2.956 57 T HA 0.678 5.205 4.350 0.022 -0.164 0.312 57 T C -1.449 173.314 174.700 0.105 0.000 1.151 57 T CA -1.304 60.823 62.100 0.044 0.000 1.024 57 T CB 2.294 71.180 68.868 0.029 0.000 1.140 57 T HN -0.125 8.158 8.240 0.072 0.000 0.473 58 G N 2.859 111.725 108.800 0.109 0.000 2.561 58 G HA2 0.651 4.693 3.960 0.137 0.000 0.310 58 G HA3 0.651 4.915 3.960 0.243 -0.159 0.310 58 G C -2.930 172.055 174.900 0.140 0.000 1.292 58 G CA 0.687 45.883 45.100 0.160 0.000 0.811 58 G HN 0.478 8.816 8.290 0.079 0.000 0.482 59 R N -3.621 116.979 120.500 0.168 0.000 2.739 59 R HA 1.164 5.816 4.340 0.167 -0.212 0.271 59 R C -1.714 174.723 176.300 0.230 0.000 1.010 59 R CA -2.240 53.952 56.100 0.153 0.000 0.897 59 R CB 4.895 35.230 30.300 0.057 0.000 1.236 59 R HN 0.120 8.504 8.270 0.190 0.000 0.466 60 Y N -2.793 117.535 120.300 0.047 0.000 2.644 60 Y HA 0.645 5.363 4.550 0.069 -0.126 0.338 60 Y C -2.006 173.919 175.900 0.043 0.000 1.119 60 Y CA -2.716 55.415 58.100 0.052 0.000 1.060 60 Y CB 2.481 40.962 38.460 0.036 0.000 1.294 60 Y HN 0.561 8.718 8.280 -0.040 0.099 0.472 61 D N 0.543 120.966 120.400 0.039 0.000 2.365 61 D HA 0.138 4.695 4.640 -0.137 0.000 0.237 61 D C 0.423 176.666 176.300 -0.095 0.000 1.190 61 D CA -1.478 52.488 54.000 -0.056 0.000 0.867 61 D CB 0.282 41.118 40.800 0.060 0.000 1.050 61 D HN -0.104 8.415 8.370 0.249 0.000 0.491 62 S N 4.048 119.541 115.700 -0.346 0.000 2.481 62 S HA -0.227 4.284 4.470 0.068 0.000 0.231 62 S C -0.372 174.245 174.600 0.027 0.000 0.996 62 S CA 1.646 59.735 58.200 -0.185 0.000 0.942 62 S CB 0.248 63.266 63.200 -0.304 0.000 0.768 62 S HN 0.083 8.160 8.310 -0.388 0.000 0.520 63 A N 2.269 125.093 122.820 0.006 0.000 3.064 63 A HA 0.430 4.783 4.320 0.056 0.000 0.339 63 A C -3.043 174.573 177.584 0.053 0.000 1.078 63 A CA -3.119 48.939 52.037 0.036 0.000 0.869 63 A CB 0.127 19.133 19.000 0.011 0.000 1.067 63 A HN -0.593 7.631 8.150 -0.035 -0.094 0.480 64 P HA 0.082 4.773 4.420 0.083 -0.221 0.282 64 P C -1.498 175.844 177.300 0.070 0.000 1.286 64 P CA -0.451 62.705 63.100 0.094 0.000 0.777 64 P CB 1.365 33.149 31.700 0.139 0.000 1.184 65 A N -2.740 120.118 122.820 0.064 0.000 2.264 65 A HA 0.074 4.420 4.320 0.043 0.000 0.304 65 A C 0.778 178.392 177.584 0.050 0.000 1.100 65 A CA -0.809 51.257 52.037 0.049 0.000 0.839 65 A CB 1.624 20.648 19.000 0.040 0.000 1.121 65 A HN 0.003 8.196 8.150 0.070 0.000 0.496 66 T N -2.138 112.441 114.554 0.041 0.000 3.256 66 T HA 0.111 4.488 4.350 0.045 0.000 0.237 66 T C -1.225 173.495 174.700 0.032 0.000 0.908 66 T CA -0.821 61.302 62.100 0.039 0.000 0.966 66 T CB -0.849 68.039 68.868 0.034 0.000 1.134 66 T HN 0.099 8.449 8.240 0.035 -0.089 0.573 67 D N -0.214 120.206 120.400 0.033 0.000 2.714 67 D HA 0.152 4.666 4.640 0.024 0.141 0.278 67 D C 0.190 176.506 176.300 0.026 0.000 1.102 67 D CA -1.707 52.309 54.000 0.026 0.000 1.108 67 D CB 1.805 42.619 40.800 0.024 0.000 1.444 67 D HN -0.744 7.977 8.370 0.038 -0.328 0.568 68 G N -2.419 106.394 108.800 0.020 0.000 3.392 68 G HA2 -0.021 3.948 3.960 0.016 0.000 0.247 68 G HA3 -0.021 3.946 3.960 0.012 0.000 0.247 68 G C -0.663 174.246 174.900 0.016 0.000 1.161 68 G CA 0.020 45.129 45.100 0.016 0.000 1.739 68 G HN 0.097 8.398 8.290 0.018 0.000 0.619 69 S N 0.323 116.037 115.700 0.024 0.000 2.722 69 S HA 0.086 4.569 4.470 0.022 0.000 0.292 69 S C -0.524 174.094 174.600 0.030 0.000 1.135 69 S CA 0.058 58.275 58.200 0.028 0.000 1.003 69 S CB 2.674 65.896 63.200 0.037 0.000 1.067 69 S HN -0.264 8.067 8.310 0.030 -0.003 0.546 70 G N -0.771 108.051 108.800 0.037 0.000 2.522 70 G HA2 0.379 4.422 3.960 0.007 0.000 0.304 70 G HA3 0.379 4.496 3.960 0.040 -0.132 0.304 70 G C -1.468 173.496 174.900 0.106 0.000 1.210 70 G CA -0.862 44.265 45.100 0.045 0.000 0.960 70 G HN -0.146 8.235 8.290 0.037 -0.069 0.497 71 T N 3.846 118.506 114.554 0.176 0.000 2.749 71 T HA 0.126 4.585 4.350 0.182 0.000 0.287 71 T C -0.766 174.061 174.700 0.211 0.000 0.970 71 T CA 0.582 62.818 62.100 0.227 0.000 0.980 71 T CB 1.384 70.457 68.868 0.342 0.000 0.924 71 T HN 0.160 8.513 8.240 0.187 0.000 0.456 72 A N 8.284 131.205 122.820 0.168 0.000 2.388 72 A HA 0.738 5.337 4.320 0.143 -0.192 0.257 72 A C -1.509 176.185 177.584 0.183 0.000 1.095 72 A CA -0.986 51.139 52.037 0.147 0.000 0.791 72 A CB 1.204 20.265 19.000 0.101 0.000 1.029 72 A HN 0.712 8.951 8.150 0.147 0.000 0.489 73 L N -4.436 116.896 121.223 0.182 0.000 2.892 73 L HA 1.013 5.594 4.340 0.208 -0.116 0.269 73 L C -1.749 175.231 176.870 0.184 0.000 1.058 73 L CA -1.364 53.608 54.840 0.219 0.000 0.923 73 L CB 3.695 45.921 42.059 0.277 0.000 1.518 73 L HN 0.466 8.791 8.230 0.158 0.000 0.402 74 G N -3.770 105.160 108.800 0.216 0.000 2.632 74 G HA2 0.749 4.852 3.960 -0.025 0.000 0.292 74 G HA3 0.749 4.703 3.960 0.045 0.033 0.292 74 G C -3.433 171.617 174.900 0.251 0.000 1.465 74 G CA 0.738 45.904 45.100 0.110 0.000 0.824 74 G HN -0.043 8.403 8.290 0.260 0.000 0.509 75 W N -3.634 117.688 121.300 0.035 0.000 3.066 75 W HA 0.724 5.483 4.660 -0.019 -0.110 0.330 75 W C -3.034 173.522 176.519 0.061 0.000 1.253 75 W CA -1.727 55.607 57.345 -0.019 0.000 1.187 75 W CB 2.112 31.468 29.460 -0.173 0.000 1.434 75 W HN 0.336 8.340 8.180 -0.294 0.000 0.572 76 T N 1.168 115.838 114.554 0.193 0.000 2.893 76 T HA 0.870 5.435 4.350 0.034 -0.195 0.291 76 T C -1.498 173.232 174.700 0.051 0.000 1.028 76 T CA -0.452 61.691 62.100 0.071 0.000 0.995 76 T CB 3.071 71.937 68.868 -0.004 0.000 1.051 76 T HN 0.486 8.869 8.240 0.237 0.000 0.470 77 V N 4.282 124.126 119.914 -0.116 0.000 2.623 77 V HA 0.377 4.502 4.120 -0.249 -0.154 0.304 77 V C -2.306 173.385 176.094 -0.671 0.000 1.054 77 V CA -1.280 60.777 62.300 -0.406 0.000 0.882 77 V CB 3.845 35.228 31.823 -0.732 0.000 1.002 77 V HN 0.661 8.762 8.190 -0.149 0.000 0.424 78 A N 5.337 127.877 122.820 -0.466 0.000 2.274 78 A HA 0.529 4.749 4.320 -0.350 -0.109 0.309 78 A C -0.018 177.340 177.584 -0.376 0.000 1.226 78 A CA -1.683 50.154 52.037 -0.334 0.000 0.853 78 A CB 1.526 20.452 19.000 -0.124 0.000 1.146 78 A HN 0.673 8.643 8.150 -0.300 0.000 0.518 79 W N 5.300 126.539 121.300 -0.101 0.000 1.564 79 W HA -0.095 4.214 4.660 -0.585 0.000 0.448 79 W C -1.458 175.120 176.519 0.098 0.000 0.601 79 W CA -1.273 55.943 57.345 -0.214 0.000 2.326 79 W CB -0.793 28.503 29.460 -0.274 0.000 1.355 79 W HN 0.672 8.778 8.180 -0.123 0.000 0.382 80 K N 1.012 121.658 120.400 0.410 0.000 2.482 80 K HA 0.750 5.487 4.320 0.333 -0.217 0.251 80 K C -1.749 175.038 176.600 0.312 0.000 0.936 80 K CA -1.161 55.318 56.287 0.319 0.000 0.791 80 K CB 3.066 35.630 32.500 0.107 0.000 1.213 80 K HN -0.244 8.127 8.250 0.349 0.089 0.428 81 N N 5.190 124.010 118.700 0.200 0.000 3.522 81 N HA 0.239 4.997 4.740 0.030 0.000 0.328 81 N C -1.043 174.490 175.510 0.038 0.000 1.623 81 N CA -0.791 52.279 53.050 0.033 0.000 0.812 81 N CB 0.753 39.106 38.487 -0.223 0.000 2.008 81 N HN 0.858 9.376 8.380 0.230 0.000 0.601 82 N N -1.233 117.473 118.700 0.010 0.000 2.370 82 N HA 0.147 4.798 4.740 -0.148 0.000 0.198 82 N C -0.726 174.472 175.510 -0.520 0.000 1.156 82 N CA 1.272 54.191 53.050 -0.219 0.000 0.839 82 N CB -0.427 37.863 38.487 -0.328 0.000 0.989 82 N HN 0.098 8.523 8.380 0.075 0.000 0.468 83 Y N -2.070 118.229 120.300 -0.002 0.000 2.494 83 Y HA 0.128 4.692 4.550 0.024 0.000 0.271 83 Y C -0.975 174.965 175.900 0.068 0.000 1.113 83 Y CA 0.694 58.808 58.100 0.024 0.000 1.240 83 Y CB 2.317 40.785 38.460 0.013 0.000 1.268 83 Y HN -0.223 8.428 8.280 0.213 -0.243 0.510 84 R N -0.866 119.788 120.500 0.256 0.000 2.707 84 R HA 0.240 4.698 4.340 0.197 0.000 0.272 84 R C -2.763 173.686 176.300 0.248 0.000 1.011 84 R CA -0.706 55.546 56.100 0.253 0.000 0.893 84 R CB 3.921 34.416 30.300 0.324 0.000 1.233 84 R HN -0.059 8.662 8.270 0.249 -0.301 0.464 85 N N 3.363 122.184 118.700 0.201 0.000 2.640 85 N HA 0.317 5.259 4.740 0.121 -0.129 0.262 85 N C -0.833 174.800 175.510 0.206 0.000 1.174 85 N CA -0.086 53.030 53.050 0.111 0.000 0.791 85 N CB 0.943 39.424 38.487 -0.010 0.000 1.279 85 N HN 0.458 8.959 8.380 0.202 0.000 0.535 86 A N 3.629 126.582 122.820 0.221 0.000 2.238 86 A HA 0.032 4.507 4.320 0.259 0.000 0.208 86 A C 0.086 177.857 177.584 0.312 0.000 1.177 86 A CA 0.163 52.347 52.037 0.245 0.000 0.804 86 A CB 0.063 19.131 19.000 0.114 0.000 0.823 86 A HN 0.762 9.052 8.150 0.233 0.000 0.482 87 H N -1.923 117.203 119.070 0.094 0.000 2.692 87 H HA -0.401 4.195 4.556 0.068 0.000 0.316 87 H C -1.962 173.406 175.328 0.067 0.000 1.176 87 H CA 1.189 57.277 56.048 0.066 0.000 1.142 87 H CB -3.156 26.628 29.762 0.037 0.000 1.475 87 H HN -0.381 8.009 8.280 -0.073 -0.154 0.423 88 S N -5.670 110.135 115.700 0.176 0.000 2.615 88 S HA 0.790 5.428 4.470 0.118 -0.097 0.269 88 S C -2.587 172.152 174.600 0.231 0.000 1.161 88 S CA -0.992 57.319 58.200 0.185 0.000 0.817 88 S CB 4.144 67.442 63.200 0.163 0.000 1.131 88 S HN -0.410 8.003 8.310 0.172 0.000 0.467 89 A N -1.481 121.433 122.820 0.157 0.000 2.520 89 A HA 0.791 5.110 4.320 -0.228 -0.135 0.298 89 A C -2.379 175.191 177.584 -0.024 0.000 1.051 89 A CA -0.320 51.698 52.037 -0.032 0.000 0.690 89 A CB 3.949 22.898 19.000 -0.085 0.000 1.281 89 A HN 0.721 8.944 8.150 0.121 0.000 0.402 90 T N 3.913 118.362 114.554 -0.175 0.000 2.863 90 T HA 1.058 5.492 4.350 -0.231 -0.223 0.285 90 T C -0.731 173.718 174.700 -0.418 0.000 1.009 90 T CA -1.189 60.715 62.100 -0.327 0.000 0.989 90 T CB 2.642 71.183 68.868 -0.546 0.000 1.004 90 T HN 0.761 8.763 8.240 -0.395 0.000 0.455 91 T N 1.933 116.239 114.554 -0.414 0.000 2.841 91 T HA 0.813 5.261 4.350 -0.169 -0.200 0.283 91 T C -1.370 173.105 174.700 -0.374 0.000 1.000 91 T CA -1.985 59.953 62.100 -0.271 0.000 0.977 91 T CB 2.596 71.374 68.868 -0.150 0.000 0.979 91 T HN 0.395 8.410 8.240 -0.375 0.000 0.446 92 W N 4.820 125.758 121.300 -0.604 0.000 2.587 92 W HA 0.485 5.138 4.660 -0.257 -0.147 0.324 92 W C -1.287 174.900 176.519 -0.553 0.000 1.040 92 W CA -1.366 55.586 57.345 -0.655 0.000 1.222 92 W CB 3.491 32.112 29.460 -1.398 0.000 1.381 92 W HN 0.904 8.912 8.180 -0.286 0.000 0.483 93 S N 1.979 117.628 115.700 -0.086 0.000 2.532 93 S HA 0.737 5.312 4.470 -0.048 -0.134 0.299 93 S C -0.989 173.632 174.600 0.035 0.000 1.105 93 S CA -1.592 56.586 58.200 -0.037 0.000 1.018 93 S CB 1.613 64.798 63.200 -0.026 0.000 1.021 93 S HN 0.626 8.924 8.310 -0.020 0.000 0.483 94 G N 4.149 112.992 108.800 0.073 0.000 2.450 94 G HA2 0.550 4.568 3.960 0.097 0.000 0.273 94 G HA3 0.550 4.799 3.960 0.158 -0.194 0.273 94 G C -3.488 171.496 174.900 0.139 0.000 1.221 94 G CA 0.849 46.020 45.100 0.119 0.000 0.900 94 G HN 0.491 8.826 8.290 0.075 0.000 0.483 95 Q N -3.314 116.579 119.800 0.156 0.000 2.416 95 Q HA 0.919 5.557 4.340 0.186 -0.186 0.281 95 Q C -2.501 173.607 176.000 0.181 0.000 1.067 95 Q CA -2.123 53.777 55.803 0.162 0.000 0.809 95 Q CB 4.512 33.319 28.738 0.115 0.000 1.418 95 Q HN 0.063 8.429 8.270 0.161 0.000 0.411 96 Y N 2.879 123.218 120.300 0.065 0.000 2.323 96 Y HA 0.723 5.458 4.550 0.003 -0.182 0.331 96 Y C -2.270 173.674 175.900 0.073 0.000 1.092 96 Y CA -1.772 56.347 58.100 0.033 0.000 1.150 96 Y CB 2.422 40.882 38.460 -0.001 0.000 1.200 96 Y HN 0.679 9.023 8.280 0.289 0.109 0.472 97 V N 7.669 127.201 119.914 -0.636 0.000 2.483 97 V HA 0.303 4.165 4.120 -0.429 0.000 0.297 97 V C -0.954 174.680 176.094 -0.767 0.000 1.027 97 V CA -1.340 60.655 62.300 -0.508 0.000 0.855 97 V CB 3.616 35.336 31.823 -0.171 0.000 0.995 97 V HN 0.653 8.562 8.190 -0.469 0.000 0.424 98 G N 3.915 112.310 108.800 -0.676 0.000 2.543 98 G HA2 0.485 4.323 3.960 -0.204 0.000 0.267 98 G HA3 0.485 4.392 3.960 -0.089 0.000 0.267 98 G C -0.835 174.029 174.900 -0.060 0.000 1.406 98 G CA -1.504 43.430 45.100 -0.276 0.000 1.048 98 G HN 0.178 8.166 8.290 -0.503 0.000 0.548 99 G N -2.177 106.640 108.800 0.028 0.000 2.409 99 G HA2 -0.253 3.724 3.960 0.029 0.000 0.421 99 G HA3 -0.253 3.713 3.960 0.009 0.000 0.421 99 G C 0.367 175.289 174.900 0.036 0.000 1.259 99 G CA -0.677 44.438 45.100 0.025 0.000 1.011 99 G HN -0.128 8.209 8.290 0.078 0.000 0.497 100 A N 1.658 124.494 122.820 0.026 0.000 1.873 100 A HA -0.205 4.126 4.320 0.018 0.000 0.218 100 A C 0.433 178.035 177.584 0.031 0.000 1.193 100 A CA 2.215 54.266 52.037 0.023 0.000 0.629 100 A CB -0.038 18.973 19.000 0.018 0.000 0.826 100 A HN 0.329 8.492 8.150 0.021 0.000 0.447 101 E N -1.182 119.042 120.200 0.039 0.000 2.751 101 E HA 0.183 4.571 4.350 0.063 0.000 0.219 101 E C -1.866 174.786 176.600 0.086 0.000 1.060 101 E CA -2.514 53.922 56.400 0.061 0.000 0.893 101 E CB -0.663 29.069 29.700 0.054 0.000 1.300 101 E HN 0.037 8.417 8.360 0.032 0.000 0.433 102 A N 3.559 126.451 122.820 0.120 0.000 2.371 102 A HA 0.337 4.820 4.320 0.061 -0.126 0.257 102 A C -0.808 176.984 177.584 0.346 0.000 1.089 102 A CA -0.188 51.958 52.037 0.182 0.000 0.794 102 A CB 1.232 20.400 19.000 0.281 0.000 1.029 102 A HN 0.289 8.501 8.150 0.103 0.000 0.488 103 R N -3.121 117.563 120.500 0.307 0.000 2.716 103 R HA 0.828 5.691 4.340 0.645 -0.136 0.271 103 R C -2.314 174.092 176.300 0.177 0.000 1.028 103 R CA -1.336 54.982 56.100 0.364 0.000 0.883 103 R CB 3.346 33.798 30.300 0.254 0.000 1.250 103 R HN 0.607 8.942 8.270 0.110 0.000 0.465 104 I N -0.131 120.541 120.570 0.170 0.000 2.439 104 I HA 0.609 5.079 4.170 0.144 -0.213 0.285 104 I C -1.785 174.532 176.117 0.332 0.000 1.021 104 I CA -1.298 60.096 61.300 0.157 0.000 1.091 104 I CB 2.616 40.595 38.000 -0.035 0.000 1.242 104 I HN 0.398 8.786 8.210 0.296 0.000 0.439 105 N N 8.779 127.632 118.700 0.255 0.000 2.419 105 N HA 0.494 5.399 4.740 0.275 0.000 0.277 105 N C -0.968 174.702 175.510 0.267 0.000 1.006 105 N CA 0.071 53.267 53.050 0.243 0.000 0.923 105 N CB 2.333 40.909 38.487 0.149 0.000 1.140 105 N HN 0.413 8.911 8.380 0.197 0.000 0.488 106 T N -0.129 114.623 114.554 0.331 0.000 2.865 106 T HA 0.708 5.326 4.350 0.216 -0.139 0.294 106 T C -1.185 173.675 174.700 0.266 0.000 1.119 106 T CA -2.362 59.927 62.100 0.316 0.000 1.007 106 T CB 3.579 72.743 68.868 0.493 0.000 1.225 106 T HN 0.665 9.119 8.240 0.356 0.000 0.515 107 Q N 0.005 119.901 119.800 0.160 0.000 2.372 107 Q HA 0.707 5.164 4.340 -0.055 -0.150 0.273 107 Q C -1.769 174.213 176.000 -0.030 0.000 1.078 107 Q CA -0.808 54.990 55.803 -0.008 0.000 0.806 107 Q CB 4.934 33.644 28.738 -0.046 0.000 1.332 107 Q HN 0.103 8.457 8.270 0.140 0.000 0.435 108 W N -1.126 120.069 121.300 -0.175 0.000 2.962 108 W HA 0.973 5.529 4.660 -0.429 -0.153 0.341 108 W C -2.896 173.428 176.519 -0.326 0.000 1.155 108 W CA -2.986 54.106 57.345 -0.422 0.000 1.165 108 W CB 3.441 32.366 29.460 -0.892 0.000 1.435 108 W HN 1.073 8.712 8.180 -0.720 0.110 0.546 109 L N 0.003 121.244 121.223 0.031 0.000 2.376 109 L HA 0.711 5.245 4.340 0.008 -0.189 0.275 109 L C -1.738 175.167 176.870 0.058 0.000 0.987 109 L CA -1.203 53.650 54.840 0.022 0.000 0.828 109 L CB 2.489 44.513 42.059 -0.058 0.000 1.249 109 L HN 0.464 8.638 8.230 -0.093 0.000 0.409 110 L N 6.225 127.541 121.223 0.155 0.000 2.294 110 L HA 0.647 5.137 4.340 -0.019 -0.162 0.283 110 L C -1.731 175.156 176.870 0.029 0.000 1.015 110 L CA -1.523 53.348 54.840 0.052 0.000 0.831 110 L CB 2.669 44.752 42.059 0.040 0.000 1.217 110 L HN 0.970 9.224 8.230 0.220 0.108 0.420 111 T N 9.672 124.232 114.554 0.010 0.000 2.824 111 T HA 0.646 5.190 4.350 -0.012 -0.201 0.280 111 T C -0.703 174.006 174.700 0.016 0.000 0.995 111 T CA -0.642 61.458 62.100 -0.000 0.000 1.009 111 T CB 1.869 70.732 68.868 -0.009 0.000 0.955 111 T HN 0.858 9.102 8.240 0.007 0.000 0.452 112 S N 5.445 121.144 115.700 -0.001 0.000 2.593 112 S HA 0.454 5.084 4.470 0.048 -0.131 0.297 112 S C -0.263 174.345 174.600 0.012 0.000 1.112 112 S CA -0.666 57.542 58.200 0.014 0.000 1.043 112 S CB 2.703 65.892 63.200 -0.017 0.000 1.054 112 S HN 0.321 8.617 8.310 -0.023 0.000 0.516 113 G N 1.331 110.157 108.800 0.042 0.000 2.380 113 G HA2 0.009 3.983 3.960 0.023 0.000 0.262 113 G HA3 0.009 4.008 3.960 0.064 0.000 0.262 113 G C -1.235 173.670 174.900 0.008 0.000 1.243 113 G CA 0.412 45.533 45.100 0.036 0.000 0.865 113 G HN 0.162 8.498 8.290 0.077 0.000 0.513 114 T N 1.043 115.594 114.554 -0.006 0.000 2.831 114 T HA 0.240 4.572 4.350 -0.029 0.000 0.287 114 T C -0.666 174.030 174.700 -0.008 0.000 1.070 114 T CA -1.710 60.376 62.100 -0.023 0.000 1.010 114 T CB 2.490 71.325 68.868 -0.054 0.000 1.264 114 T HN -0.181 8.058 8.240 -0.001 0.000 0.532 115 T N -2.891 111.658 114.554 -0.008 0.000 2.849 115 T HA 0.168 4.523 4.350 0.009 0.000 0.284 115 T C 1.155 175.865 174.700 0.018 0.000 1.004 115 T CA -1.093 61.011 62.100 0.007 0.000 1.021 115 T CB 1.126 69.999 68.868 0.008 0.000 1.013 115 T HN -0.107 8.122 8.240 -0.019 0.000 0.527 116 E N 0.986 121.203 120.200 0.028 0.000 2.160 116 E HA -0.420 3.954 4.350 0.041 0.000 0.195 116 E C 2.323 178.967 176.600 0.073 0.000 0.991 116 E CA 3.039 59.465 56.400 0.043 0.000 0.810 116 E CB -0.550 29.173 29.700 0.038 0.000 0.742 116 E HN 0.471 8.845 8.360 0.024 0.000 0.466 117 A N -0.861 122.003 122.820 0.073 0.000 1.969 117 A HA -0.140 4.259 4.320 0.131 0.000 0.218 117 A C 0.361 178.052 177.584 0.179 0.000 1.169 117 A CA 2.384 54.492 52.037 0.119 0.000 0.635 117 A CB -0.580 18.474 19.000 0.090 0.000 0.810 117 A HN 0.155 8.305 8.150 0.052 0.030 0.445 118 N N -3.668 115.076 118.700 0.072 0.000 2.214 118 N HA 0.136 4.853 4.740 -0.037 0.000 0.214 118 N C 0.481 175.902 175.510 -0.148 0.000 1.132 118 N CA -0.285 52.734 53.050 -0.052 0.000 0.856 118 N CB 0.545 38.972 38.487 -0.100 0.000 1.020 118 N HN -0.539 7.742 8.380 0.040 0.123 0.509 119 A N 1.101 123.918 122.820 -0.004 0.000 2.019 119 A HA -0.109 4.181 4.320 -0.049 0.000 0.219 119 A C 1.728 179.308 177.584 -0.007 0.000 1.164 119 A CA 2.875 54.907 52.037 -0.008 0.000 0.644 119 A CB -0.399 18.630 19.000 0.048 0.000 0.805 119 A HN -0.584 7.421 8.150 0.070 0.187 0.449 120 W N -5.165 116.132 121.300 -0.005 0.000 2.421 120 W HA -0.213 4.442 4.660 -0.008 0.000 0.270 120 W C -0.341 176.173 176.519 -0.008 0.000 1.233 120 W CA 0.633 57.973 57.345 -0.007 0.000 1.226 120 W CB -0.887 28.568 29.460 -0.008 0.000 1.121 120 W HN -0.098 8.227 8.180 0.281 0.023 0.579 121 K N -1.576 118.324 120.400 -0.834 0.000 2.832 121 K HA 0.394 4.381 4.320 -0.555 0.000 0.211 121 K C -0.220 176.135 176.600 -0.409 0.000 1.112 121 K CA -0.554 55.244 56.287 -0.814 0.000 1.108 121 K CB -0.534 31.114 32.500 -1.421 0.000 0.899 121 K HN -0.761 6.778 8.250 -0.946 0.144 0.464 122 S N -0.218 115.336 115.700 -0.244 0.000 2.501 122 S HA -0.005 4.370 4.470 -0.158 0.000 0.220 122 S C -0.818 173.728 174.600 -0.091 0.000 0.997 122 S CA 1.330 59.444 58.200 -0.144 0.000 0.919 122 S CB 0.902 64.049 63.200 -0.089 0.000 0.778 122 S HN -0.338 7.782 8.310 -0.198 0.070 0.523 123 T N 4.798 119.303 114.554 -0.081 0.000 2.792 123 T HA 0.599 5.157 4.350 -0.028 -0.225 0.280 123 T C -0.451 174.223 174.700 -0.042 0.000 0.990 123 T CA 0.325 62.398 62.100 -0.045 0.000 0.960 123 T CB 1.980 70.828 68.868 -0.034 0.000 0.939 123 T HN -0.728 7.454 8.240 -0.098 0.000 0.439 124 L N 4.965 126.188 121.223 -0.001 0.000 2.334 124 L HA 0.471 4.785 4.340 -0.044 0.000 0.275 124 L C -1.366 175.468 176.870 -0.060 0.000 1.036 124 L CA -0.852 53.992 54.840 0.007 0.000 0.807 124 L CB 2.627 44.764 42.059 0.129 0.000 1.231 124 L HN 0.779 9.027 8.230 0.029 0.000 0.438 125 V N 1.160 120.913 119.914 -0.268 0.000 2.823 125 V HA 1.039 5.015 4.120 -0.593 -0.212 0.312 125 V C -1.422 174.065 176.094 -1.012 0.000 1.072 125 V CA -2.844 59.123 62.300 -0.555 0.000 0.937 125 V CB 3.296 34.933 31.823 -0.310 0.000 1.013 125 V HN 0.018 8.078 8.190 -0.217 0.000 0.430 126 G N 4.783 112.546 108.800 -1.728 0.000 2.619 126 G HA2 0.259 3.722 3.960 -0.829 0.000 0.305 126 G HA3 0.259 3.006 3.960 -2.022 0.000 0.305 126 G C -3.331 170.781 174.900 -1.313 0.000 1.330 126 G CA 0.268 44.394 45.100 -1.623 0.000 0.789 126 G HN 0.096 7.360 8.290 -1.709 0.000 0.487 127 H N -4.290 114.442 119.070 -0.565 0.000 2.930 127 H HA 0.377 4.912 4.556 -0.155 -0.072 0.371 127 H C -1.943 173.536 175.328 0.252 0.000 1.169 127 H CA -1.610 54.361 56.048 -0.129 0.000 1.157 127 H CB 3.467 33.176 29.762 -0.088 0.000 1.789 127 H HN 0.052 7.759 8.280 -0.955 0.000 0.547 128 D N 0.263 120.937 120.400 0.457 0.000 2.756 128 D HA 0.275 5.172 4.640 0.203 -0.136 0.226 128 D C -1.276 175.128 176.300 0.172 0.000 1.186 128 D CA -0.108 54.066 54.000 0.290 0.000 0.845 128 D CB 4.827 45.776 40.800 0.248 0.000 1.610 128 D HN 0.105 8.661 8.370 0.491 0.109 0.465 129 T N 4.344 118.896 114.554 -0.002 0.000 2.812 129 T HA 0.645 5.312 4.350 0.239 -0.174 0.282 129 T C -1.106 173.572 174.700 -0.037 0.000 0.990 129 T CA -0.158 61.999 62.100 0.096 0.000 0.960 129 T CB 1.800 70.752 68.868 0.141 0.000 0.948 129 T HN 0.527 9.066 8.240 -0.054 -0.331 0.438 130 F N 6.814 126.951 119.950 0.311 0.000 2.480 130 F HA 0.866 5.847 4.527 0.379 -0.226 0.329 130 F C -0.172 175.911 175.800 0.472 0.000 1.091 130 F CA -1.587 56.638 58.000 0.375 0.000 0.972 130 F CB 3.372 42.583 39.000 0.351 0.000 1.150 130 F HN 0.952 9.572 8.300 0.533 0.000 0.467 131 T N -2.829 112.145 114.554 0.701 0.000 2.887 131 T HA 0.615 5.373 4.350 0.679 0.000 0.292 131 T C 0.428 175.371 174.700 0.405 0.000 1.087 131 T CA -2.227 60.209 62.100 0.560 0.000 1.009 131 T CB 3.348 72.402 68.868 0.310 0.000 1.203 131 T HN 0.782 9.406 8.240 0.640 0.000 0.518 132 K N 0.679 121.105 120.400 0.042 0.000 2.400 132 K HA 0.116 4.297 4.320 -0.497 -0.158 0.194 132 K C -0.391 176.240 176.600 0.051 0.000 1.033 132 K CA 1.977 58.114 56.287 -0.250 0.000 1.021 132 K CB 0.502 32.737 32.500 -0.442 0.000 0.808 132 K HN 0.529 8.833 8.250 0.090 0.000 0.505 133 V N -0.757 119.213 119.914 0.094 0.000 2.732 133 V HA 0.181 4.260 4.120 -0.068 0.000 0.310 133 V C -1.800 174.272 176.094 -0.037 0.000 1.053 133 V CA -1.792 60.503 62.300 -0.008 0.000 0.957 133 V CB 3.224 35.040 31.823 -0.011 0.000 1.018 133 V HN -0.810 7.387 8.190 0.120 0.064 0.452 134 K N 1.808 122.013 120.400 -0.325 0.000 2.307 134 K HA 0.469 4.733 4.320 -0.094 0.000 0.263 134 K C -2.219 174.286 176.600 -0.158 0.000 0.973 134 K CA -3.255 52.821 56.287 -0.353 0.000 0.846 134 K CB 0.457 32.415 32.500 -0.903 0.000 1.100 134 K HN -0.065 7.968 8.250 -0.361 0.000 0.438 135 P HA 0.000 4.572 4.420 0.109 -0.086 0.216 135 P CA 0.000 63.130 63.100 0.051 0.000 0.800 135 P CB 0.000 31.738 31.700 0.062 0.000 0.726