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 2jwp_1_A DATA FIRST_RESID 5 DATA SEQUENCE GLADKVIWAV NAGGESHVDV HGIHYRKDPL EGRVGRASDY GMKLPILRSN DATA SEQUENCE PEDQVLYQTE RYNEDSFGYD IPIKEEGEYV LVLKFAEVYF AQSQQKVFDV DATA SEQUENCE RVNGHTVVKD LDIFDRVGHS TAHDEIIPIS IKKGKLSVQG EVSTFTGKLS DATA SEQUENCE VEFVKGYYDN PKVCALFIMK GTAD 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.986 3.960 0.043 0.000 0.244 5 G C 0.000 174.942 174.900 0.071 0.000 0.946 5 G CA 0.000 45.133 45.100 0.054 0.000 0.502 6 L N 2.142 123.419 121.223 0.090 0.000 2.217 6 L HA -0.176 4.249 4.340 0.141 0.000 0.211 6 L C -0.006 176.951 176.870 0.145 0.000 1.107 6 L CA 1.631 56.550 54.840 0.132 0.000 0.783 6 L CB 0.092 42.227 42.059 0.126 0.000 0.919 6 L HN -0.026 8.259 8.230 0.092 0.000 0.442 7 A N -2.940 119.936 122.820 0.094 0.000 2.070 7 A HA -0.214 4.254 4.320 0.069 -0.107 0.220 7 A C 0.608 178.241 177.584 0.082 0.000 1.159 7 A CA 2.199 54.279 52.037 0.073 0.000 0.656 7 A CB -0.578 18.445 19.000 0.040 0.000 0.800 7 A HN -0.411 7.763 8.150 0.084 0.026 0.453 8 D N -2.716 117.732 120.400 0.080 0.000 2.183 8 D HA -0.095 4.580 4.640 0.058 0.000 0.205 8 D C 1.280 177.631 176.300 0.086 0.000 0.962 8 D CA 1.931 55.972 54.000 0.068 0.000 0.849 8 D CB 0.644 41.475 40.800 0.051 0.000 0.978 8 D HN -0.606 7.644 8.370 0.080 0.168 0.488 9 K N -3.448 117.017 120.400 0.108 0.000 2.356 9 K HA 0.030 4.403 4.320 0.088 0.000 0.195 9 K C 0.643 177.340 176.600 0.162 0.000 1.037 9 K CA -0.804 55.550 56.287 0.111 0.000 1.014 9 K CB 0.234 32.785 32.500 0.085 0.000 0.815 9 K HN -0.644 7.678 8.250 0.119 0.000 0.507 10 V N 1.412 121.463 119.914 0.229 0.000 2.617 10 V HA -0.375 3.950 4.120 0.342 0.000 0.304 10 V C 0.090 176.326 176.094 0.237 0.000 1.040 10 V CA 1.504 63.996 62.300 0.322 0.000 1.149 10 V CB 0.349 32.427 31.823 0.425 0.000 0.914 10 V HN -0.716 7.607 8.190 0.222 0.000 0.487 11 I N 3.193 123.913 120.570 0.250 0.000 4.139 11 I HA 0.309 4.590 4.170 0.185 0.000 0.320 11 I C -1.213 175.102 176.117 0.331 0.000 1.290 11 I CA -0.039 61.396 61.300 0.226 0.000 1.253 11 I CB 1.508 39.607 38.000 0.165 0.000 1.122 11 I HN -0.333 8.034 8.210 0.262 0.000 0.421 12 W N -0.368 120.997 121.300 0.108 0.000 3.499 12 W HA 0.133 4.847 4.660 0.091 0.000 0.288 12 W C -3.464 173.154 176.519 0.165 0.000 1.258 12 W CA 1.027 58.430 57.345 0.096 0.000 1.203 12 W CB 3.125 32.606 29.460 0.036 0.000 1.325 12 W HN -0.659 7.759 8.180 0.398 0.000 0.564 13 A N 3.849 126.417 122.820 -0.419 0.000 2.555 13 A HA 0.338 4.695 4.320 -0.090 -0.091 0.297 13 A C -3.233 173.993 177.584 -0.596 0.000 1.060 13 A CA 0.016 51.883 52.037 -0.283 0.000 0.710 13 A CB 3.036 22.090 19.000 0.089 0.000 1.282 13 A HN 0.274 7.875 8.150 -0.915 0.000 0.399 14 V N 2.203 121.813 119.914 -0.506 0.000 2.655 14 V HA 0.190 4.445 4.120 0.224 0.000 0.301 14 V C -2.542 173.364 176.094 -0.313 0.000 1.082 14 V CA -0.949 61.176 62.300 -0.292 0.000 0.899 14 V CB 3.953 35.431 31.823 -0.575 0.000 1.014 14 V HN 0.681 8.525 8.190 -0.373 0.123 0.429 15 N N 6.333 124.567 118.700 -0.777 0.000 2.589 15 N HA 0.165 4.894 4.740 -0.351 -0.200 0.232 15 N C -0.025 175.073 175.510 -0.686 0.000 1.015 15 N CA -1.612 50.975 53.050 -0.773 0.000 0.931 15 N CB 0.301 38.314 38.487 -0.791 0.000 1.150 15 N HN 0.180 7.716 8.380 -1.406 0.000 0.512 16 A N 6.010 128.755 122.820 -0.126 0.000 2.473 16 A HA 0.069 4.570 4.320 0.064 -0.143 0.282 16 A C -0.663 176.893 177.584 -0.048 0.000 1.163 16 A CA 0.378 52.444 52.037 0.048 0.000 0.827 16 A CB -0.584 18.607 19.000 0.318 0.000 1.098 16 A HN 0.398 8.474 8.150 0.012 0.081 0.515 17 G N 2.832 111.574 108.800 -0.096 0.000 4.003 17 G HA2 -0.169 3.852 3.960 -0.132 0.000 0.204 17 G HA3 -0.169 3.992 3.960 -0.075 -0.246 0.204 17 G C -1.214 173.660 174.900 -0.043 0.000 1.077 17 G CA 0.598 45.643 45.100 -0.092 0.000 0.872 17 G HN -0.240 8.205 8.290 -0.063 -0.193 0.350 18 G N -0.443 108.353 108.800 -0.006 0.000 3.227 18 G HA2 0.242 4.243 3.960 0.069 0.000 0.171 18 G HA3 0.242 4.275 3.960 0.121 0.000 0.171 18 G C -2.250 172.823 174.900 0.289 0.000 1.463 18 G CA -1.541 43.631 45.100 0.120 0.000 1.016 18 G HN -0.765 7.442 8.290 -0.137 0.000 0.594 19 E N -1.074 119.347 120.200 0.368 0.000 2.343 19 E HA 0.233 4.676 4.350 0.155 0.000 0.288 19 E C -1.953 174.595 176.600 -0.086 0.000 0.907 19 E CA -0.427 56.064 56.400 0.151 0.000 0.792 19 E CB 3.109 32.845 29.700 0.061 0.000 1.275 19 E HN -0.045 8.526 8.360 0.351 0.000 0.402 20 S N 1.322 116.599 115.700 -0.706 0.000 3.552 20 S HA -0.432 3.782 4.470 -0.983 -0.334 0.351 20 S C -0.826 173.525 174.600 -0.415 0.000 0.819 20 S CA 1.001 58.812 58.200 -0.648 0.000 1.345 20 S CB -0.997 62.060 63.200 -0.238 0.000 1.425 20 S HN 0.112 7.749 8.310 -1.123 0.000 0.546 21 H N 4.451 123.250 119.070 -0.452 0.000 2.667 21 H HA 0.250 4.624 4.556 -0.303 0.000 0.353 21 H C -1.420 173.693 175.328 -0.359 0.000 1.072 21 H CA -0.807 55.089 56.048 -0.254 0.000 1.214 21 H CB 3.404 33.184 29.762 0.030 0.000 1.600 21 H HN -0.621 7.414 8.280 -0.409 0.000 0.527 22 V N 8.296 127.579 119.914 -1.052 0.000 2.364 22 V HA 0.027 4.008 4.120 -0.521 -0.174 0.272 22 V C -0.527 175.048 176.094 -0.866 0.000 1.036 22 V CA -1.269 60.582 62.300 -0.749 0.000 0.880 22 V CB -0.288 31.268 31.823 -0.444 0.000 0.991 22 V HN 0.433 8.033 8.190 -0.982 0.000 0.460 23 D N 5.546 125.660 120.400 -0.478 0.000 2.357 23 D HA -0.025 4.498 4.640 -0.196 0.000 0.242 23 D C 1.874 178.013 176.300 -0.268 0.000 1.153 23 D CA -0.583 53.248 54.000 -0.281 0.000 0.918 23 D CB 2.235 42.928 40.800 -0.178 0.000 1.181 23 D HN 0.330 8.363 8.370 -0.352 0.126 0.435 24 V N -0.225 119.510 119.914 -0.298 0.000 3.026 24 V HA -0.231 3.740 4.120 -0.248 0.000 0.265 24 V C 0.129 175.983 176.094 -0.400 0.000 1.121 24 V CA 2.314 64.405 62.300 -0.349 0.000 1.142 24 V CB -0.235 31.352 31.823 -0.394 0.000 0.730 24 V HN 0.506 8.527 8.190 -0.280 0.000 0.503 25 H N -1.441 117.569 119.070 -0.101 0.000 2.539 25 H HA 0.203 4.731 4.556 -0.047 0.000 0.269 25 H C 0.154 175.434 175.328 -0.081 0.000 0.980 25 H CA 0.066 56.070 56.048 -0.073 0.000 1.152 25 H CB -0.008 29.718 29.762 -0.060 0.000 1.407 25 H HN -0.085 8.334 8.280 -0.296 -0.316 0.564 26 G N -0.642 108.125 108.800 -0.054 0.000 2.164 26 G HA2 -0.369 3.551 3.960 -0.088 0.000 0.212 26 G HA3 -0.369 3.579 3.960 -0.019 0.000 0.212 26 G C -1.212 173.646 174.900 -0.070 0.000 1.031 26 G CA 0.089 45.154 45.100 -0.058 0.000 0.730 26 G HN 0.405 8.407 8.290 -0.124 0.213 0.501 27 I N 0.647 121.127 120.570 -0.150 0.000 2.306 27 I HA 0.152 4.250 4.170 -0.120 0.000 0.288 27 I C -1.511 174.521 176.117 -0.141 0.000 1.036 27 I CA -2.857 58.316 61.300 -0.211 0.000 1.221 27 I CB -0.859 36.790 38.000 -0.585 0.000 1.385 27 I HN -0.775 7.331 8.210 -0.173 0.000 0.472 28 H N 11.101 130.084 119.070 -0.146 0.000 2.705 28 H HA 0.191 4.839 4.556 -0.171 -0.194 0.291 28 H C -1.260 174.005 175.328 -0.105 0.000 1.085 28 H CA -2.086 53.878 56.048 -0.140 0.000 1.357 28 H CB 0.905 30.586 29.762 -0.135 0.000 1.419 28 H HN 0.632 8.951 8.280 0.065 0.000 0.462 29 Y N 8.990 129.237 120.300 -0.089 0.000 2.377 29 Y HA 0.226 4.777 4.550 -0.159 -0.097 0.330 29 Y C -1.220 174.685 175.900 0.008 0.000 1.108 29 Y CA -2.426 55.622 58.100 -0.086 0.000 1.308 29 Y CB 0.541 38.953 38.460 -0.080 0.000 1.216 29 Y HN 1.122 9.259 8.280 -0.050 0.113 0.518 30 R N 7.649 128.055 120.500 -0.157 0.000 2.413 30 R HA -0.051 4.164 4.340 -0.207 0.000 0.333 30 R C -0.391 175.691 176.300 -0.364 0.000 1.074 30 R CA -1.779 54.170 56.100 -0.253 0.000 0.982 30 R CB -1.365 28.787 30.300 -0.246 0.000 0.981 30 R HN 0.668 8.759 8.270 -0.101 0.118 0.452 31 K N 4.943 124.997 120.400 -0.577 0.000 2.272 31 K HA -0.407 3.532 4.320 -0.726 -0.054 0.259 31 K C -0.465 176.141 176.600 0.011 0.000 1.280 31 K CA 1.009 57.057 56.287 -0.397 0.000 1.275 31 K CB -0.304 32.068 32.500 -0.213 0.000 0.800 31 K HN 0.144 8.104 8.250 -0.483 0.000 0.484 32 D N 3.080 123.646 120.400 0.276 0.000 3.060 32 D HA -0.239 4.598 4.640 0.328 0.000 0.209 32 D C -1.365 175.045 176.300 0.182 0.000 1.232 32 D CA 0.890 55.040 54.000 0.250 0.000 0.841 32 D CB -0.888 40.009 40.800 0.161 0.000 0.863 32 D HN -0.295 8.433 8.370 0.597 0.000 0.389 33 P HA 0.074 4.581 4.420 0.146 0.000 0.267 33 P C -0.734 176.712 177.300 0.243 0.000 1.289 33 P CA 0.884 64.110 63.100 0.209 0.000 0.866 33 P CB 1.179 33.016 31.700 0.228 0.000 1.309 34 L N -5.879 115.495 121.223 0.251 0.000 2.717 34 L HA 0.322 4.780 4.340 0.197 0.000 0.239 34 L C -0.878 176.037 176.870 0.074 0.000 1.086 34 L CA 0.161 55.121 54.840 0.200 0.000 0.897 34 L CB 0.534 42.752 42.059 0.265 0.000 1.214 34 L HN -0.537 7.786 8.230 0.258 0.061 0.508 35 E N 0.983 121.204 120.200 0.035 0.000 1.924 35 E HA 0.028 4.342 4.350 -0.061 0.000 0.261 35 E C 0.487 177.094 176.600 0.013 0.000 1.088 35 E CA -0.854 55.527 56.400 -0.031 0.000 0.909 35 E CB -1.345 28.298 29.700 -0.095 0.000 1.112 35 E HN -0.254 8.150 8.360 0.072 0.000 0.425 36 G N 5.461 114.270 108.800 0.016 0.000 2.189 36 G HA2 -0.393 3.578 3.960 0.018 0.000 0.267 36 G HA3 -0.393 3.579 3.960 0.020 0.000 0.267 36 G C -1.094 173.832 174.900 0.042 0.000 0.975 36 G CA 0.816 45.930 45.100 0.024 0.000 0.644 36 G HN -0.075 8.220 8.290 0.009 0.000 0.537 37 R N -6.084 114.453 120.500 0.062 0.000 3.516 37 R HA -0.401 4.149 4.340 0.109 -0.144 0.271 37 R C -1.483 174.856 176.300 0.066 0.000 1.098 37 R CA 0.559 56.709 56.100 0.082 0.000 0.732 37 R CB -3.073 27.278 30.300 0.085 0.000 1.152 37 R HN 0.193 8.383 8.270 0.062 0.117 0.455 38 V N -5.472 114.479 119.914 0.062 0.000 2.604 38 V HA 0.331 4.480 4.120 0.048 0.000 0.305 38 V C -1.363 174.772 176.094 0.069 0.000 1.043 38 V CA -2.627 59.707 62.300 0.056 0.000 0.888 38 V CB 1.728 33.579 31.823 0.047 0.000 0.995 38 V HN -0.799 7.409 8.190 0.063 0.020 0.429 39 G N 2.383 111.219 108.800 0.061 0.000 2.348 39 G HA2 0.326 4.505 3.960 0.092 0.000 0.312 39 G HA3 0.326 4.320 3.960 0.056 0.000 0.312 39 G C -1.080 173.864 174.900 0.073 0.000 1.126 39 G CA -0.708 44.435 45.100 0.072 0.000 0.865 39 G HN 0.010 8.328 8.290 0.046 0.000 0.474 40 R N 3.794 124.345 120.500 0.085 0.000 2.713 40 R HA 0.154 4.687 4.340 0.080 -0.145 0.282 40 R C -1.454 174.892 176.300 0.075 0.000 1.472 40 R CA -1.414 54.741 56.100 0.093 0.000 1.060 40 R CB 2.070 32.456 30.300 0.142 0.000 1.237 40 R HN 0.318 8.991 8.270 0.082 -0.354 0.484 41 A N 6.422 129.287 122.820 0.075 0.000 2.513 41 A HA -0.084 4.500 4.320 0.065 -0.226 0.274 41 A C 0.119 177.741 177.584 0.063 0.000 1.115 41 A CA 0.619 52.696 52.037 0.068 0.000 0.792 41 A CB -0.302 18.741 19.000 0.072 0.000 1.053 41 A HN 0.754 9.372 8.150 0.074 -0.424 0.515 42 S N 5.382 121.099 115.700 0.028 0.000 2.738 42 S HA 0.190 4.718 4.470 0.096 0.000 0.227 42 S C -0.160 174.488 174.600 0.080 0.000 1.311 42 S CA -0.710 57.519 58.200 0.049 0.000 1.249 42 S CB -0.594 62.586 63.200 -0.034 0.000 1.030 42 S HN 0.246 8.548 8.310 -0.014 0.000 0.512 43 D N 2.799 123.257 120.400 0.097 0.000 2.106 43 D HA -0.351 4.334 4.640 0.076 0.000 0.194 43 D C 1.351 177.772 176.300 0.203 0.000 0.988 43 D CA 2.193 56.256 54.000 0.105 0.000 0.845 43 D CB -0.128 40.712 40.800 0.067 0.000 0.990 43 D HN -0.752 7.584 8.370 0.086 0.086 0.448 44 Y N -0.503 119.816 120.300 0.031 0.000 2.729 44 Y HA -0.433 4.139 4.550 0.037 0.000 0.483 44 Y C 0.635 176.558 175.900 0.037 0.000 1.111 44 Y CA 1.830 59.953 58.100 0.038 0.000 2.927 44 Y CB -0.931 37.559 38.460 0.050 0.000 0.984 44 Y HN 0.078 8.471 8.280 0.187 0.000 0.571 45 G N -2.503 106.351 108.800 0.090 0.000 4.126 45 G HA2 0.340 4.220 3.960 -0.133 0.000 0.282 45 G HA3 0.340 4.344 3.960 0.074 0.000 0.282 45 G C -0.661 174.251 174.900 0.019 0.000 1.221 45 G CA -0.683 44.416 45.100 -0.001 0.000 1.527 45 G HN 0.283 8.643 8.290 0.237 0.072 0.612 46 M N -0.293 119.303 119.600 -0.007 0.000 2.686 46 M HA -0.136 4.646 4.480 0.014 -0.294 0.246 46 M C 0.263 176.561 176.300 -0.004 0.000 1.096 46 M CA 1.153 56.453 55.300 -0.000 0.000 1.076 46 M CB 0.040 32.634 32.600 -0.011 0.000 1.504 46 M HN -0.756 7.454 8.290 -0.034 0.060 0.524 47 K N -3.435 116.959 120.400 -0.011 0.000 2.458 47 K HA -0.044 4.272 4.320 -0.008 0.000 0.194 47 K C -0.573 176.037 176.600 0.016 0.000 1.024 47 K CA 0.196 56.479 56.287 -0.006 0.000 1.108 47 K CB -0.435 32.051 32.500 -0.023 0.000 0.846 47 K HN -0.230 7.892 8.250 -0.022 0.115 0.518 48 L N 1.731 122.974 121.223 0.033 0.000 2.506 48 L HA 0.373 4.745 4.340 0.053 0.000 0.247 48 L C -2.254 174.651 176.870 0.059 0.000 1.141 48 L CA -2.541 52.333 54.840 0.056 0.000 0.973 48 L CB -0.379 41.730 42.059 0.083 0.000 1.319 48 L HN -0.698 7.460 8.230 0.030 0.091 0.455 49 P HA 0.002 4.502 4.420 0.034 -0.059 0.266 49 P C -0.208 177.132 177.300 0.066 0.000 1.195 49 P CA -0.347 62.779 63.100 0.043 0.000 0.768 49 P CB 0.577 32.294 31.700 0.029 0.000 0.838 50 I N 2.145 122.760 120.570 0.075 0.000 3.428 50 I HA -0.078 4.160 4.170 0.114 0.000 0.286 50 I C 1.162 177.337 176.117 0.097 0.000 1.287 50 I CA -0.019 61.344 61.300 0.105 0.000 1.396 50 I CB 0.280 38.364 38.000 0.141 0.000 1.062 50 I HN 0.330 8.760 8.210 0.060 -0.184 0.471 51 L N -0.887 120.378 121.223 0.070 0.000 3.530 51 L HA -0.523 3.842 4.340 0.041 0.000 0.357 51 L C -0.542 176.364 176.870 0.061 0.000 2.051 51 L CA 3.020 57.894 54.840 0.056 0.000 2.804 51 L CB -1.689 40.404 42.059 0.056 0.000 1.640 51 L HN -0.471 7.879 8.230 0.058 -0.085 0.757 52 R N -1.658 118.894 120.500 0.087 0.000 2.189 52 R HA -0.097 4.289 4.340 0.076 0.000 0.223 52 R C 0.405 176.767 176.300 0.103 0.000 1.092 52 R CA 1.038 57.197 56.100 0.097 0.000 0.989 52 R CB 0.262 30.634 30.300 0.120 0.000 0.876 52 R HN -0.038 8.186 8.270 0.100 0.106 0.457 53 S N -2.961 112.797 115.700 0.095 0.000 2.537 53 S HA 0.076 4.578 4.470 0.053 0.000 0.301 53 S C -1.148 173.443 174.600 -0.015 0.000 1.092 53 S CA -1.032 57.194 58.200 0.044 0.000 1.048 53 S CB 2.271 65.488 63.200 0.029 0.000 1.053 53 S HN -0.387 7.921 8.310 0.093 0.058 0.501 54 N N 5.422 124.092 118.700 -0.051 0.000 2.479 54 N HA 0.029 4.748 4.740 -0.035 0.000 0.257 54 N C -0.445 175.017 175.510 -0.080 0.000 1.232 54 N CA -0.783 52.233 53.050 -0.057 0.000 0.920 54 N CB 0.382 38.829 38.487 -0.066 0.000 1.105 54 N HN -0.130 8.377 8.380 -0.060 -0.162 0.444 55 P HA -0.359 4.028 4.420 -0.056 0.000 0.220 55 P C 0.943 178.180 177.300 -0.105 0.000 1.155 55 P CA 3.083 66.144 63.100 -0.065 0.000 0.880 55 P CB -0.029 31.643 31.700 -0.046 0.000 0.790 56 E N -4.401 115.740 120.200 -0.098 0.000 2.033 56 E HA -0.259 3.992 4.350 -0.165 0.000 0.189 56 E C 1.835 178.258 176.600 -0.294 0.000 0.979 56 E CA 2.912 59.241 56.400 -0.119 0.000 0.802 56 E CB -0.777 28.968 29.700 0.074 0.000 0.763 56 E HN 0.583 8.873 8.360 -0.074 0.025 0.449 57 D N 0.071 120.373 120.400 -0.164 0.000 2.312 57 D HA -0.246 4.293 4.640 -0.168 0.000 0.211 57 D C 1.718 177.704 176.300 -0.524 0.000 0.964 57 D CA 1.831 55.644 54.000 -0.310 0.000 0.877 57 D CB -0.555 40.028 40.800 -0.362 0.000 0.924 57 D HN -0.464 7.833 8.370 -0.121 0.000 0.515 58 Q N 1.036 120.655 119.800 -0.302 0.000 2.096 58 Q HA -0.296 3.983 4.340 -0.102 0.000 0.204 58 Q C 2.986 178.905 176.000 -0.133 0.000 0.982 58 Q CA 2.970 58.679 55.803 -0.157 0.000 0.850 58 Q CB -0.016 28.678 28.738 -0.074 0.000 0.901 58 Q HN 0.263 8.275 8.270 -0.230 0.120 0.422 59 V N 1.179 120.960 119.914 -0.223 0.000 2.324 59 V HA -0.506 3.543 4.120 -0.118 0.000 0.250 59 V C 1.578 177.545 176.094 -0.211 0.000 1.060 59 V CA 3.637 65.805 62.300 -0.220 0.000 1.042 59 V CB -0.159 31.471 31.823 -0.322 0.000 0.650 59 V HN -0.472 7.478 8.190 -0.257 0.086 0.450 60 L N -2.980 118.047 121.223 -0.327 0.000 2.456 60 L HA -0.216 4.038 4.340 -0.144 0.000 0.224 60 L C -1.069 175.902 176.870 0.167 0.000 1.148 60 L CA 1.671 56.429 54.840 -0.137 0.000 0.825 60 L CB 0.065 42.088 42.059 -0.061 0.000 0.937 60 L HN -0.604 7.232 8.230 -0.505 0.091 0.450 61 Y N -8.315 111.935 120.300 -0.084 0.000 2.557 61 Y HA 0.171 4.694 4.550 -0.045 0.000 0.247 61 Y C -0.330 175.569 175.900 -0.003 0.000 1.164 61 Y CA -2.145 55.934 58.100 -0.036 0.000 1.218 61 Y CB 0.031 38.486 38.460 -0.008 0.000 1.210 61 Y HN -0.468 7.594 8.280 0.007 0.222 0.529 62 Q N -1.672 118.201 119.800 0.122 0.000 2.527 62 Q HA 0.153 4.568 4.340 0.125 0.000 0.252 62 Q C -0.261 175.779 176.000 0.067 0.000 0.827 62 Q CA 0.115 55.975 55.803 0.094 0.000 0.979 62 Q CB 2.862 31.638 28.738 0.063 0.000 1.248 62 Q HN -0.597 7.540 8.270 0.067 0.174 0.578 63 T N 1.417 115.984 114.554 0.023 0.000 2.888 63 T HA -0.052 4.320 4.350 0.036 0.000 0.301 63 T C -0.068 174.635 174.700 0.004 0.000 1.001 63 T CA 0.783 62.889 62.100 0.011 0.000 1.147 63 T CB 0.584 69.442 68.868 -0.018 0.000 0.931 63 T HN -0.442 7.797 8.240 -0.002 0.000 0.541 64 E N 3.492 123.699 120.200 0.012 0.000 2.235 64 E HA 0.659 5.187 4.350 0.017 -0.168 0.265 64 E C -1.422 175.113 176.600 -0.108 0.000 0.940 64 E CA -2.114 54.285 56.400 -0.001 0.000 0.819 64 E CB 3.098 32.826 29.700 0.046 0.000 1.206 64 E HN -0.014 8.362 8.360 0.027 0.000 0.409 65 R N -1.059 119.346 120.500 -0.157 0.000 2.936 65 R HA 0.266 4.177 4.340 -0.715 0.000 0.218 65 R C -0.118 175.954 176.300 -0.379 0.000 1.528 65 R CA -1.532 54.283 56.100 -0.476 0.000 1.005 65 R CB 2.980 33.013 30.300 -0.445 0.000 2.099 65 R HN -0.245 7.999 8.270 -0.044 0.000 0.527 66 Y N -1.579 118.671 120.300 -0.082 0.000 2.594 66 Y HA 0.021 4.541 4.550 -0.050 0.000 0.342 66 Y C -0.498 175.346 175.900 -0.093 0.000 1.010 66 Y CA -1.069 56.976 58.100 -0.091 0.000 1.270 66 Y CB -1.204 37.184 38.460 -0.120 0.000 1.125 66 Y HN -0.088 7.747 8.280 -0.742 0.000 0.513 67 N N 3.523 122.300 118.700 0.129 0.000 2.483 67 N HA -0.073 4.988 4.740 0.534 0.000 0.264 67 N C -0.968 174.527 175.510 -0.025 0.000 1.197 67 N CA 0.802 53.951 53.050 0.165 0.000 0.927 67 N CB 0.244 38.730 38.487 -0.003 0.000 1.065 67 N HN -0.097 8.349 8.380 0.111 0.000 0.461 68 E N 2.695 122.945 120.200 0.083 0.000 3.590 68 E HA 0.043 4.238 4.350 -0.258 0.000 0.223 68 E C -2.181 174.358 176.600 -0.101 0.000 1.195 68 E CA 0.324 56.674 56.400 -0.084 0.000 1.670 68 E CB 1.916 31.607 29.700 -0.016 0.000 1.578 68 E HN 0.208 8.858 8.360 0.484 0.000 0.763 69 D N -3.120 117.297 120.400 0.028 0.000 3.057 69 D HA 0.157 4.700 4.640 -0.162 0.000 0.328 69 D C -1.925 174.240 176.300 -0.225 0.000 1.317 69 D CA -0.762 53.180 54.000 -0.097 0.000 0.973 69 D CB 2.329 43.092 40.800 -0.061 0.000 1.424 69 D HN -0.320 8.217 8.370 0.277 0.000 0.569 70 S N 0.401 115.953 115.700 -0.247 0.000 2.507 70 S HA -0.133 4.230 4.470 -0.576 -0.238 0.299 70 S C -0.122 174.266 174.600 -0.353 0.000 1.214 70 S CA 0.927 58.899 58.200 -0.381 0.000 1.137 70 S CB -0.058 63.003 63.200 -0.230 0.000 1.009 70 S HN 0.011 8.221 8.310 -0.168 0.000 0.512 71 F N 4.311 123.915 119.950 -0.576 0.000 2.532 71 F HA 0.523 4.816 4.527 -0.390 0.000 0.321 71 F C -2.128 173.134 175.800 -0.898 0.000 1.089 71 F CA -2.273 55.369 58.000 -0.596 0.000 0.926 71 F CB 2.660 41.376 39.000 -0.473 0.000 1.168 71 F HN -0.544 6.824 8.300 -1.553 0.000 0.459 72 G N -0.358 108.227 108.800 -0.358 0.000 2.642 72 G HA2 0.314 4.162 3.960 -0.455 0.000 0.293 72 G HA3 0.314 4.132 3.960 -0.182 0.033 0.293 72 G C -1.888 172.927 174.900 -0.142 0.000 1.341 72 G CA -0.862 44.051 45.100 -0.312 0.000 0.916 72 G HN -0.222 7.968 8.290 -0.167 0.000 0.474 73 Y N -2.713 117.726 120.300 0.232 0.000 2.419 73 Y HA 0.003 4.739 4.550 0.310 0.000 0.328 73 Y C -1.029 174.867 175.900 -0.007 0.000 1.162 73 Y CA -0.912 57.326 58.100 0.230 0.000 1.174 73 Y CB 2.597 41.281 38.460 0.373 0.000 1.228 73 Y HN 0.326 8.585 8.280 0.173 0.124 0.473 74 D N 2.160 122.631 120.400 0.118 0.000 2.461 74 D HA 0.234 4.914 4.640 -0.101 -0.101 0.240 74 D C -1.945 174.095 176.300 -0.432 0.000 1.094 74 D CA -1.023 52.923 54.000 -0.090 0.000 0.868 74 D CB 1.093 41.904 40.800 0.018 0.000 1.062 74 D HN 0.133 8.696 8.370 0.321 0.000 0.530 75 I N 5.335 125.533 120.570 -0.619 0.000 2.316 75 I HA 0.297 3.611 4.170 -1.427 0.000 0.286 75 I C -2.027 173.863 176.117 -0.378 0.000 1.107 75 I CA -3.900 56.864 61.300 -0.893 0.000 1.219 75 I CB 0.467 37.944 38.000 -0.873 0.000 1.455 75 I HN 0.782 8.643 8.210 -0.406 0.106 0.498 76 P HA -0.034 4.379 4.420 -0.011 0.000 0.261 76 P C -1.189 176.084 177.300 -0.045 0.000 1.203 76 P CA 0.078 63.142 63.100 -0.060 0.000 0.767 76 P CB -0.433 31.260 31.700 -0.012 0.000 0.785 77 I N 4.480 125.091 120.570 0.069 0.000 2.474 77 I HA 0.101 4.167 4.170 -0.174 0.000 0.294 77 I C -0.193 175.937 176.117 0.022 0.000 1.005 77 I CA -0.662 60.589 61.300 -0.082 0.000 1.113 77 I CB 2.304 40.064 38.000 -0.400 0.000 1.289 77 I HN -0.449 7.913 8.210 0.254 0.000 0.436 78 K N 3.461 123.838 120.400 -0.038 0.000 2.533 78 K HA 0.216 4.581 4.320 0.076 0.000 0.202 78 K C -0.573 176.022 176.600 -0.008 0.000 1.096 78 K CA -0.050 56.249 56.287 0.020 0.000 1.056 78 K CB 0.862 33.389 32.500 0.045 0.000 0.890 78 K HN 0.332 8.546 8.250 -0.060 0.000 0.552 79 E N -0.500 119.679 120.200 -0.035 0.000 2.446 79 E HA 0.234 4.582 4.350 -0.003 0.000 0.267 79 E C -1.817 174.789 176.600 0.011 0.000 0.955 79 E CA -1.512 54.898 56.400 0.017 0.000 0.842 79 E CB 3.236 32.986 29.700 0.083 0.000 1.504 79 E HN -0.419 7.887 8.360 -0.089 0.000 0.438 80 E N -1.282 118.911 120.200 -0.012 0.000 2.369 80 E HA 0.534 4.880 4.350 -0.006 0.000 0.270 80 E C -1.289 175.194 176.600 -0.195 0.000 0.909 80 E CA -1.347 55.016 56.400 -0.063 0.000 0.775 80 E CB 2.994 32.655 29.700 -0.064 0.000 1.270 80 E HN 0.228 8.575 8.360 -0.023 0.000 0.445 81 G N 0.509 109.140 108.800 -0.281 0.000 2.339 81 G HA2 -0.065 3.752 3.960 -0.238 0.000 0.275 81 G HA3 -0.065 3.611 3.960 -0.473 0.000 0.275 81 G C -2.365 172.274 174.900 -0.436 0.000 1.323 81 G CA -0.070 44.804 45.100 -0.377 0.000 0.927 81 G HN -0.205 7.970 8.290 -0.192 0.000 0.486 82 E N 2.025 121.980 120.200 -0.409 0.000 2.014 82 E HA 0.778 5.277 4.350 -0.204 -0.271 0.275 82 E C -0.656 175.743 176.600 -0.335 0.000 0.997 82 E CA -1.359 54.871 56.400 -0.283 0.000 0.804 82 E CB 0.738 30.338 29.700 -0.166 0.000 1.090 82 E HN -0.177 7.959 8.360 -0.373 0.000 0.401 83 Y N 4.757 125.008 120.300 -0.082 0.000 2.350 83 Y HA 0.133 4.766 4.550 -0.094 -0.139 0.340 83 Y C -0.375 175.463 175.900 -0.102 0.000 1.006 83 Y CA -0.534 57.511 58.100 -0.092 0.000 1.166 83 Y CB 1.327 39.734 38.460 -0.088 0.000 1.168 83 Y HN 0.470 8.717 8.280 -0.055 0.000 0.502 84 V N 4.738 124.652 119.914 0.001 0.000 2.318 84 V HA 0.099 4.323 4.120 -0.047 -0.132 0.271 84 V C -1.496 174.503 176.094 -0.158 0.000 1.030 84 V CA -0.844 61.407 62.300 -0.082 0.000 0.844 84 V CB 0.126 31.879 31.823 -0.117 0.000 1.015 84 V HN 1.060 9.246 8.190 -0.008 0.000 0.460 85 L N 10.373 131.541 121.223 -0.092 0.000 2.312 85 L HA 0.304 4.703 4.340 -0.151 -0.150 0.287 85 L C -1.904 174.897 176.870 -0.117 0.000 1.091 85 L CA -0.533 54.247 54.840 -0.099 0.000 0.846 85 L CB 0.771 42.822 42.059 -0.013 0.000 1.219 85 L HN 0.790 8.902 8.230 -0.042 0.092 0.439 86 V N 9.433 129.243 119.914 -0.173 0.000 2.293 86 V HA 0.783 5.079 4.120 -0.129 -0.254 0.275 86 V C -1.945 174.075 176.094 -0.123 0.000 1.021 86 V CA -3.247 58.977 62.300 -0.128 0.000 0.815 86 V CB 1.404 33.179 31.823 -0.080 0.000 1.025 86 V HN 0.906 8.925 8.190 -0.285 0.000 0.448 87 L N 6.840 127.910 121.223 -0.255 0.000 2.295 87 L HA 0.510 4.856 4.340 -0.283 -0.176 0.285 87 L C -1.502 174.994 176.870 -0.624 0.000 1.035 87 L CA -2.161 52.413 54.840 -0.443 0.000 0.806 87 L CB 0.852 42.529 42.059 -0.636 0.000 1.214 87 L HN -0.052 8.027 8.230 -0.251 0.000 0.426 88 K N 2.934 122.980 120.400 -0.590 0.000 2.234 88 K HA 0.529 4.736 4.320 -0.489 -0.180 0.277 88 K C -1.046 175.331 176.600 -0.372 0.000 1.038 88 K CA -1.208 54.738 56.287 -0.569 0.000 0.888 88 K CB 1.178 33.092 32.500 -0.976 0.000 1.091 88 K HN -0.330 7.517 8.250 -0.477 0.117 0.467 89 F N 6.868 126.804 119.950 -0.024 0.000 2.450 89 F HA 0.853 5.662 4.527 0.035 -0.261 0.332 89 F C -1.100 174.779 175.800 0.131 0.000 1.093 89 F CA -2.608 55.442 58.000 0.084 0.000 1.003 89 F CB 3.519 42.642 39.000 0.205 0.000 1.151 89 F HN 0.879 9.065 8.300 -0.000 0.114 0.474 90 A N 0.190 123.223 122.820 0.355 0.000 2.475 90 A HA 0.481 4.957 4.320 0.260 0.000 0.301 90 A C -2.757 174.981 177.584 0.257 0.000 1.059 90 A CA -1.346 50.848 52.037 0.262 0.000 0.710 90 A CB 3.929 23.050 19.000 0.202 0.000 1.288 90 A HN 0.045 8.424 8.150 0.383 0.000 0.408 91 E N 1.744 122.095 120.200 0.252 0.000 2.294 91 E HA 0.237 4.753 4.350 0.276 0.000 0.272 91 E C -2.320 174.450 176.600 0.285 0.000 0.896 91 E CA -0.142 56.428 56.400 0.284 0.000 0.802 91 E CB 2.852 32.751 29.700 0.332 0.000 1.267 91 E HN 0.473 8.974 8.360 0.235 0.000 0.406 92 V N 7.512 127.595 119.914 0.282 0.000 2.465 92 V HA 0.258 4.540 4.120 0.269 0.000 0.263 92 V C -2.126 174.175 176.094 0.344 0.000 0.981 92 V CA -0.413 62.051 62.300 0.273 0.000 0.838 92 V CB -0.987 30.969 31.823 0.223 0.000 1.068 92 V HN 0.558 8.913 8.190 0.276 0.000 0.458 93 Y N 5.470 125.867 120.300 0.162 0.000 3.331 93 Y HA 0.115 4.754 4.550 0.149 0.000 0.172 93 Y C -1.394 174.600 175.900 0.157 0.000 0.942 93 Y CA 0.145 58.349 58.100 0.172 0.000 1.797 93 Y CB 1.588 40.184 38.460 0.227 0.000 1.426 93 Y HN -0.395 8.069 8.280 0.307 0.000 0.316 94 F N 2.410 122.268 119.950 -0.153 0.000 2.403 94 F HA 0.248 4.516 4.527 -0.432 0.000 0.355 94 F C -1.585 173.936 175.800 -0.465 0.000 1.119 94 F CA -1.434 56.356 58.000 -0.350 0.000 1.007 94 F CB 1.485 40.336 39.000 -0.248 0.000 1.194 94 F HN -0.295 8.213 8.300 0.346 0.000 0.443 95 A N 9.342 131.566 122.820 -0.992 0.000 2.655 95 A HA -0.049 2.794 4.320 -2.462 0.000 0.297 95 A C -1.056 175.765 177.584 -1.272 0.000 1.461 95 A CA 0.515 51.629 52.037 -1.540 0.000 1.146 95 A CB -0.664 17.726 19.000 -1.018 0.000 1.108 95 A HN 0.458 8.050 8.150 -0.929 0.000 0.550 96 Q N 3.695 122.904 119.800 -0.985 0.000 2.386 96 Q HA 0.110 4.282 4.340 -0.280 0.000 0.274 96 Q C -2.249 173.742 176.000 -0.014 0.000 1.011 96 Q CA -0.814 54.793 55.803 -0.326 0.000 0.867 96 Q CB 3.671 32.352 28.738 -0.095 0.000 1.409 96 Q HN -0.359 7.263 8.270 -1.080 0.000 0.395 97 S N 2.372 118.125 115.700 0.089 0.000 2.578 97 S HA 0.192 4.732 4.470 0.117 0.000 0.301 97 S C -0.305 174.292 174.600 -0.005 0.000 1.091 97 S CA -0.538 57.721 58.200 0.099 0.000 1.032 97 S CB 1.433 64.705 63.200 0.119 0.000 1.064 97 S HN 0.168 8.504 8.310 0.043 0.000 0.508 98 Q N -0.993 118.784 119.800 -0.039 0.000 2.461 98 Q HA -0.419 3.932 4.340 -0.068 -0.052 0.273 98 Q C -1.083 174.883 176.000 -0.057 0.000 1.163 98 Q CA 1.994 57.766 55.803 -0.052 0.000 0.929 98 Q CB -2.276 26.442 28.738 -0.033 0.000 1.334 98 Q HN 0.540 9.123 8.270 -0.048 -0.342 0.499 99 Q N -2.331 117.422 119.800 -0.079 0.000 2.536 99 Q HA 0.006 4.314 4.340 -0.052 0.000 0.212 99 Q C -0.992 174.969 176.000 -0.065 0.000 0.743 99 Q CA 0.370 56.122 55.803 -0.085 0.000 0.929 99 Q CB 1.720 30.366 28.738 -0.152 0.000 1.313 99 Q HN -0.044 8.140 8.270 -0.090 0.031 0.524 100 K N 2.907 123.248 120.400 -0.098 0.000 2.121 100 K HA -0.067 4.343 4.320 0.151 0.000 0.235 100 K C -1.687 174.652 176.600 -0.435 0.000 1.200 100 K CA 0.189 56.431 56.287 -0.074 0.000 1.115 100 K CB -1.575 30.931 32.500 0.010 0.000 1.474 100 K HN 0.048 8.231 8.250 -0.112 0.000 0.295 101 V N -1.950 117.827 119.914 -0.227 0.000 2.328 101 V HA 0.253 4.137 4.120 -0.467 -0.045 0.278 101 V C -1.278 174.778 176.094 -0.062 0.000 1.021 101 V CA -2.508 59.635 62.300 -0.261 0.000 0.838 101 V CB -0.388 31.373 31.823 -0.102 0.000 0.999 101 V HN -0.314 7.819 8.190 -0.041 0.033 0.447 102 F N 7.432 127.368 119.950 -0.024 0.000 2.370 102 F HA 0.293 4.800 4.527 -0.034 0.000 0.319 102 F C 0.403 176.186 175.800 -0.029 0.000 1.129 102 F CA -2.584 55.388 58.000 -0.047 0.000 1.109 102 F CB 1.612 40.539 39.000 -0.122 0.000 1.262 102 F HN 0.744 8.610 8.300 -0.538 0.111 0.534 103 D N -0.285 120.233 120.400 0.197 0.000 2.168 103 D HA 0.340 5.160 4.640 0.115 -0.111 0.246 103 D C -0.949 175.443 176.300 0.154 0.000 1.050 103 D CA -0.134 53.941 54.000 0.126 0.000 0.857 103 D CB 2.171 43.015 40.800 0.073 0.000 1.169 103 D HN 0.018 8.500 8.370 0.187 0.000 0.453 104 V N 1.619 121.630 119.914 0.161 0.000 2.447 104 V HA 0.140 4.418 4.120 0.263 0.000 0.292 104 V C -2.089 174.119 176.094 0.190 0.000 1.021 104 V CA -1.068 61.361 62.300 0.215 0.000 0.850 104 V CB 2.005 33.981 31.823 0.256 0.000 1.005 104 V HN 0.277 8.462 8.190 0.139 0.089 0.426 105 R N 6.731 127.349 120.500 0.197 0.000 2.534 105 R HA 0.637 5.255 4.340 0.159 -0.183 0.301 105 R C -1.396 175.010 176.300 0.177 0.000 0.961 105 R CA -1.975 54.220 56.100 0.159 0.000 0.871 105 R CB 3.199 33.557 30.300 0.097 0.000 1.170 105 R HN 0.074 8.487 8.270 0.238 0.000 0.446 106 V N 4.250 124.276 119.914 0.188 0.000 2.277 106 V HA 0.061 4.280 4.120 0.166 0.000 0.269 106 V C -0.467 175.754 176.094 0.212 0.000 1.036 106 V CA -2.003 60.408 62.300 0.185 0.000 0.821 106 V CB -1.111 30.811 31.823 0.166 0.000 1.052 106 V HN 0.740 8.946 8.190 0.210 0.110 0.462 107 N N 7.526 126.300 118.700 0.124 0.000 2.727 107 N HA -0.495 4.375 4.740 0.009 -0.124 0.251 107 N C 0.320 175.775 175.510 -0.091 0.000 1.040 107 N CA 0.805 53.889 53.050 0.056 0.000 0.712 107 N CB -1.198 37.377 38.487 0.148 0.000 0.912 107 N HN 0.895 9.237 8.380 0.106 0.102 0.545 108 G N -3.682 105.075 108.800 -0.072 0.000 2.284 108 G HA2 -0.394 3.517 3.960 -0.081 0.000 0.247 108 G HA3 -0.394 3.424 3.960 -0.236 0.000 0.247 108 G C -0.518 174.303 174.900 -0.133 0.000 1.012 108 G CA 0.245 45.258 45.100 -0.145 0.000 0.618 108 G HN -0.094 8.196 8.290 0.000 0.000 0.521 109 H N 4.304 123.401 119.070 0.044 0.000 3.015 109 H HA 0.050 4.629 4.556 0.038 0.000 0.268 109 H C -0.085 175.278 175.328 0.058 0.000 1.113 109 H CA -0.459 55.618 56.048 0.047 0.000 1.479 109 H CB -0.894 28.899 29.762 0.052 0.000 1.493 109 H HN -0.510 7.552 8.280 0.020 0.229 0.486 110 T N 3.365 118.008 114.554 0.148 0.000 2.825 110 T HA -0.025 4.591 4.350 0.122 -0.193 0.270 110 T C 0.198 174.970 174.700 0.121 0.000 0.919 110 T CA 0.618 62.790 62.100 0.119 0.000 1.159 110 T CB -0.810 68.108 68.868 0.083 0.000 0.889 110 T HN 0.290 8.602 8.240 0.120 0.000 0.565 111 V N 5.186 125.178 119.914 0.130 0.000 2.426 111 V HA -0.117 4.057 4.120 0.090 0.000 0.242 111 V C 0.360 176.516 176.094 0.102 0.000 1.036 111 V CA 1.793 64.157 62.300 0.107 0.000 1.044 111 V CB 0.402 32.289 31.823 0.107 0.000 0.688 111 V HN 0.341 8.619 8.190 0.146 0.000 0.462 112 V N -0.116 119.872 119.914 0.125 0.000 2.250 112 V HA 0.154 4.333 4.120 0.098 0.000 0.268 112 V C -1.888 174.269 176.094 0.105 0.000 1.043 112 V CA -2.201 60.171 62.300 0.120 0.000 0.814 112 V CB -1.189 30.734 31.823 0.166 0.000 1.072 112 V HN -0.682 7.594 8.190 0.144 0.000 0.451 113 K N 8.725 129.172 120.400 0.078 0.000 2.319 113 K HA 0.142 4.627 4.320 0.078 -0.118 0.237 113 K C -0.683 175.941 176.600 0.040 0.000 1.113 113 K CA -0.669 55.657 56.287 0.065 0.000 1.072 113 K CB -0.706 31.828 32.500 0.057 0.000 1.734 113 K HN 0.474 8.767 8.250 0.072 0.000 0.429 114 D N -1.361 119.055 120.400 0.025 0.000 4.346 114 D HA -0.093 4.528 4.640 -0.031 0.000 0.161 114 D C -2.391 173.857 176.300 -0.086 0.000 0.462 114 D CA 0.326 54.312 54.000 -0.023 0.000 0.619 114 D CB -0.277 40.517 40.800 -0.010 0.000 1.658 114 D HN 0.657 9.053 8.370 0.044 0.000 0.088 115 L N 2.761 123.936 121.223 -0.080 0.000 2.623 115 L HA -0.062 4.225 4.340 -0.087 0.000 0.281 115 L C -1.964 174.596 176.870 -0.516 0.000 1.150 115 L CA 0.975 55.724 54.840 -0.153 0.000 0.965 115 L CB -0.464 41.590 42.059 -0.009 0.000 1.303 115 L HN -0.101 8.036 8.230 -0.001 0.093 0.467 116 D N 5.871 126.030 120.400 -0.400 0.000 2.477 116 D HA 0.315 4.663 4.640 -0.768 -0.169 0.239 116 D C 0.001 176.120 176.300 -0.301 0.000 1.102 116 D CA -1.953 51.779 54.000 -0.447 0.000 0.901 116 D CB -0.184 40.456 40.800 -0.267 0.000 1.026 116 D HN -0.252 7.967 8.370 -0.251 0.000 0.515 117 I N 2.465 122.871 120.570 -0.274 0.000 2.179 117 I HA -0.507 3.388 4.170 -0.459 0.000 0.242 117 I C 1.001 177.063 176.117 -0.090 0.000 1.088 117 I CA 3.576 64.757 61.300 -0.199 0.000 1.357 117 I CB -0.064 37.955 38.000 0.031 0.000 1.051 117 I HN -0.057 7.941 8.210 -0.354 0.000 0.409 118 F N -0.133 119.749 119.950 -0.114 0.000 2.154 118 F HA -0.523 3.967 4.527 -0.063 0.000 0.301 118 F C 0.675 176.403 175.800 -0.121 0.000 1.087 118 F CA 3.753 61.699 58.000 -0.090 0.000 1.274 118 F CB 0.096 39.056 39.000 -0.068 0.000 1.009 118 F HN 0.032 8.722 8.300 0.173 -0.286 0.485 119 D N -2.254 118.092 120.400 -0.091 0.000 2.149 119 D HA -0.296 4.208 4.640 -0.227 0.000 0.201 119 D C 0.966 177.149 176.300 -0.195 0.000 0.972 119 D CA 2.436 56.339 54.000 -0.162 0.000 0.835 119 D CB 0.170 40.925 40.800 -0.076 0.000 0.966 119 D HN -0.631 7.727 8.370 0.002 0.013 0.476 120 R N -2.296 118.085 120.500 -0.198 0.000 2.073 120 R HA -0.126 4.160 4.340 -0.089 0.000 0.229 120 R C 2.068 178.310 176.300 -0.096 0.000 1.120 120 R CA 1.474 57.479 56.100 -0.157 0.000 0.967 120 R CB 0.108 30.212 30.300 -0.327 0.000 0.862 120 R HN -0.641 7.399 8.270 -0.221 0.097 0.436 121 V N -8.606 111.230 119.914 -0.131 0.000 2.825 121 V HA 0.203 4.333 4.120 0.017 0.000 0.246 121 V C 0.710 176.716 176.094 -0.148 0.000 1.068 121 V CA 0.599 62.867 62.300 -0.054 0.000 1.088 121 V CB 0.946 32.783 31.823 0.023 0.000 0.733 121 V HN 0.073 8.149 8.190 -0.190 0.000 0.468 122 G N 0.786 109.363 108.800 -0.372 0.000 4.526 122 G HA2 -0.456 3.037 3.960 -0.942 0.000 0.217 122 G HA3 -0.456 3.275 3.960 -0.380 0.000 0.217 122 G C -0.734 173.724 174.900 -0.737 0.000 1.428 122 G CA 0.748 45.474 45.100 -0.623 0.000 0.928 122 G HN -0.063 7.874 8.290 -0.413 0.106 0.639 123 H N 1.159 120.115 119.070 -0.190 0.000 2.676 123 H HA 0.338 4.878 4.556 -0.026 0.000 0.352 123 H C -0.484 174.856 175.328 0.020 0.000 1.193 123 H CA -1.829 54.186 56.048 -0.054 0.000 1.243 123 H CB 2.712 32.461 29.762 -0.022 0.000 1.751 123 H HN -0.276 7.938 8.280 -0.031 0.047 0.567 124 S N 3.012 118.842 115.700 0.216 0.000 2.643 124 S HA -0.192 4.381 4.470 0.172 0.000 0.329 124 S C -0.189 174.496 174.600 0.140 0.000 1.193 124 S CA 1.780 60.082 58.200 0.171 0.000 1.293 124 S CB -0.863 62.437 63.200 0.167 0.000 1.205 124 S HN 0.390 8.866 8.310 0.276 0.000 0.550 125 T N 0.764 115.399 114.554 0.134 0.000 2.618 125 T HA 0.471 5.019 4.350 0.117 -0.128 0.286 125 T C -1.742 173.045 174.700 0.144 0.000 1.027 125 T CA -1.761 60.413 62.100 0.124 0.000 1.063 125 T CB 1.781 70.713 68.868 0.106 0.000 1.440 125 T HN -0.451 7.872 8.240 0.138 0.000 0.505 126 A N 0.291 123.193 122.820 0.137 0.000 2.249 126 A HA 0.141 4.547 4.320 0.144 0.000 0.314 126 A C -1.602 176.059 177.584 0.128 0.000 1.290 126 A CA -0.961 51.154 52.037 0.130 0.000 0.893 126 A CB 0.926 20.004 19.000 0.130 0.000 1.165 126 A HN 0.095 8.319 8.150 0.123 0.000 0.530 127 H N 5.493 124.596 119.070 0.055 0.000 2.473 127 H HA 0.132 4.717 4.556 0.050 0.000 0.327 127 H C -1.596 173.736 175.328 0.006 0.000 1.105 127 H CA 0.218 56.305 56.048 0.066 0.000 1.280 127 H CB 2.646 32.496 29.762 0.148 0.000 1.450 127 H HN 0.309 8.737 8.280 0.246 0.000 0.492 128 D N 5.188 125.258 120.400 -0.550 0.000 2.787 128 D HA 0.553 5.145 4.640 -0.393 -0.188 0.246 128 D C -1.067 174.961 176.300 -0.454 0.000 1.150 128 D CA -1.598 52.143 54.000 -0.432 0.000 0.864 128 D CB 2.973 43.610 40.800 -0.271 0.000 1.481 128 D HN 0.164 8.153 8.370 -0.636 0.000 0.509 129 E N 2.019 122.045 120.200 -0.290 0.000 2.114 129 E HA 0.419 4.692 4.350 -0.128 0.000 0.266 129 E C -1.125 175.409 176.600 -0.109 0.000 0.896 129 E CA -1.659 54.663 56.400 -0.130 0.000 0.750 129 E CB 1.963 31.689 29.700 0.043 0.000 1.121 129 E HN 0.081 8.253 8.360 -0.312 0.000 0.413 130 I N 4.493 125.014 120.570 -0.082 0.000 2.291 130 I HA -0.012 4.106 4.170 -0.086 0.000 0.290 130 I C -0.699 175.394 176.117 -0.040 0.000 1.050 130 I CA -0.195 61.063 61.300 -0.069 0.000 1.245 130 I CB 0.425 38.389 38.000 -0.061 0.000 1.405 130 I HN 0.457 8.622 8.210 -0.075 0.000 0.478 131 I N 7.042 127.589 120.570 -0.037 0.000 2.503 131 I HA 0.557 4.724 4.170 -0.005 0.000 0.277 131 I C -2.498 173.609 176.117 -0.016 0.000 1.078 131 I CA -4.618 56.676 61.300 -0.011 0.000 1.184 131 I CB 0.600 38.612 38.000 0.019 0.000 1.353 131 I HN 0.808 8.862 8.210 -0.056 0.123 0.490 132 P HA 0.219 4.772 4.420 -0.026 -0.148 0.276 132 P C -1.101 176.191 177.300 -0.013 0.000 1.243 132 P CA -0.596 62.489 63.100 -0.025 0.000 0.768 132 P CB -0.522 31.156 31.700 -0.037 0.000 0.856 133 I N -0.477 120.098 120.570 0.009 0.000 2.493 133 I HA 0.745 5.047 4.170 -0.010 -0.138 0.298 133 I C -1.771 174.345 176.117 -0.003 0.000 0.998 133 I CA -2.716 58.595 61.300 0.017 0.000 1.137 133 I CB 3.747 41.791 38.000 0.074 0.000 1.310 133 I HN 0.799 8.903 8.210 0.025 0.120 0.445 134 S N 4.316 120.004 115.700 -0.019 0.000 2.594 134 S HA 0.590 5.173 4.470 -0.071 -0.155 0.322 134 S C 0.024 174.611 174.600 -0.022 0.000 1.085 134 S CA -1.722 56.453 58.200 -0.041 0.000 1.116 134 S CB 1.037 64.209 63.200 -0.047 0.000 0.979 134 S HN 0.822 9.000 8.310 -0.024 0.118 0.465 135 I N 6.563 127.116 120.570 -0.029 0.000 2.353 135 I HA 0.880 5.331 4.170 0.006 -0.277 0.293 135 I C -0.393 175.700 176.117 -0.040 0.000 0.992 135 I CA -1.031 60.258 61.300 -0.018 0.000 1.268 135 I CB 1.287 39.274 38.000 -0.021 0.000 1.387 135 I HN 0.857 9.028 8.210 -0.066 0.000 0.478 136 K N 5.342 125.732 120.400 -0.017 0.000 2.553 136 K HA 0.439 4.959 4.320 -0.030 -0.218 0.250 136 K C -0.094 176.509 176.600 0.004 0.000 0.953 136 K CA -1.327 54.950 56.287 -0.017 0.000 0.800 136 K CB 3.113 35.602 32.500 -0.019 0.000 1.243 136 K HN 0.615 8.867 8.250 0.003 0.000 0.435 137 K N 3.459 123.861 120.400 0.004 0.000 3.209 137 K HA -0.431 3.898 4.320 0.016 0.000 0.289 137 K C -0.520 176.107 176.600 0.044 0.000 1.191 137 K CA 1.361 57.660 56.287 0.020 0.000 0.851 137 K CB -1.584 30.928 32.500 0.019 0.000 1.242 137 K HN 1.337 10.038 8.250 -0.008 -0.456 0.480 138 G N -7.094 101.736 108.800 0.049 0.000 2.157 138 G HA2 -0.503 3.523 3.960 0.111 0.000 0.239 138 G HA3 -0.503 3.535 3.960 0.130 0.000 0.239 138 G C -0.851 174.149 174.900 0.168 0.000 0.982 138 G CA 0.019 45.189 45.100 0.117 0.000 0.650 138 G HN 0.511 8.769 8.290 0.018 0.043 0.527 139 K N 0.578 121.043 120.400 0.109 0.000 2.221 139 K HA 0.378 4.892 4.320 0.176 -0.088 0.258 139 K C -2.314 174.351 176.600 0.109 0.000 0.944 139 K CA -1.109 55.253 56.287 0.124 0.000 0.823 139 K CB 2.223 34.770 32.500 0.079 0.000 1.113 139 K HN -0.357 7.752 8.250 0.066 0.181 0.431 140 L N 4.768 126.083 121.223 0.153 0.000 2.319 140 L HA 0.403 4.905 4.340 0.076 -0.117 0.281 140 L C -2.214 174.669 176.870 0.022 0.000 1.005 140 L CA -1.031 53.882 54.840 0.122 0.000 0.828 140 L CB 2.554 44.764 42.059 0.252 0.000 1.227 140 L HN 0.970 9.211 8.230 0.190 0.103 0.415 141 S N 8.055 123.738 115.700 -0.029 0.000 2.438 141 S HA 0.597 5.176 4.470 -0.152 -0.200 0.316 141 S C -1.094 173.435 174.600 -0.118 0.000 1.084 141 S CA -0.673 57.470 58.200 -0.095 0.000 1.107 141 S CB 1.047 64.216 63.200 -0.051 0.000 0.981 141 S HN 0.895 9.078 8.310 -0.006 0.124 0.466 142 V N 7.457 127.239 119.914 -0.220 0.000 2.294 142 V HA 0.233 4.306 4.120 -0.079 0.000 0.272 142 V C 0.288 176.323 176.094 -0.099 0.000 1.027 142 V CA -0.981 61.232 62.300 -0.145 0.000 0.823 142 V CB -1.109 30.617 31.823 -0.162 0.000 1.030 142 V HN 0.723 8.599 8.190 -0.373 0.091 0.457 143 Q N 7.111 126.878 119.800 -0.055 0.000 1.914 143 Q HA -0.363 3.962 4.340 -0.026 0.000 0.217 143 Q C -0.010 175.970 176.000 -0.034 0.000 2.819 143 Q CA 2.886 58.669 55.803 -0.033 0.000 0.438 143 Q CB -1.705 27.024 28.738 -0.015 0.000 0.787 143 Q HN 0.513 8.754 8.270 -0.048 0.000 0.466 144 G N -2.698 106.081 108.800 -0.035 0.000 3.443 144 G HA2 0.168 4.113 3.960 -0.025 0.000 0.252 144 G HA3 0.168 4.121 3.960 -0.011 0.000 0.252 144 G C -0.841 174.039 174.900 -0.033 0.000 1.015 144 G CA -0.131 44.954 45.100 -0.025 0.000 0.891 144 G HN -0.012 8.241 8.290 -0.035 0.017 0.510 145 E N 2.123 122.278 120.200 -0.076 0.000 2.081 145 E HA 0.298 4.642 4.350 -0.010 0.000 0.281 145 E C -2.267 174.221 176.600 -0.187 0.000 0.986 145 E CA -1.331 55.012 56.400 -0.094 0.000 0.796 145 E CB 0.810 30.455 29.700 -0.092 0.000 1.085 145 E HN 0.093 8.281 8.360 -0.098 0.113 0.398 146 V N 6.223 126.107 119.914 -0.050 0.000 2.378 146 V HA 0.255 4.470 4.120 -0.077 -0.142 0.288 146 V C -1.297 174.847 176.094 0.083 0.000 1.016 146 V CA -1.403 60.886 62.300 -0.019 0.000 0.840 146 V CB 2.163 33.985 31.823 -0.002 0.000 0.994 146 V HN 0.331 8.523 8.190 0.003 0.000 0.431 147 S N 8.684 124.470 115.700 0.144 0.000 2.579 147 S HA 0.424 4.971 4.470 0.130 0.000 0.272 147 S C -1.651 173.053 174.600 0.173 0.000 1.141 147 S CA -0.927 57.388 58.200 0.191 0.000 0.843 147 S CB 3.400 66.777 63.200 0.294 0.000 1.122 147 S HN 0.305 8.674 8.310 0.099 0.000 0.468 148 T N 0.075 114.704 114.554 0.124 0.000 2.940 148 T HA -0.087 4.349 4.350 0.144 0.000 0.309 148 T C -0.845 173.953 174.700 0.163 0.000 1.056 148 T CA 0.779 62.956 62.100 0.129 0.000 1.137 148 T CB 0.173 69.088 68.868 0.078 0.000 0.976 148 T HN 0.105 8.402 8.240 0.095 0.000 0.547 149 F N 7.113 127.094 119.950 0.051 0.000 2.429 149 F HA 0.058 4.619 4.527 0.056 0.000 0.348 149 F C -0.318 175.492 175.800 0.016 0.000 1.109 149 F CA 0.484 58.509 58.000 0.042 0.000 1.232 149 F CB 1.398 40.422 39.000 0.040 0.000 1.157 149 F HN 0.252 8.631 8.300 0.325 0.116 0.564 150 T N 7.739 121.729 114.554 -0.940 0.000 3.008 150 T HA 0.158 4.195 4.350 -0.521 0.000 0.328 150 T C 0.480 174.646 174.700 -0.890 0.000 1.020 150 T CA -0.725 60.951 62.100 -0.707 0.000 1.043 150 T CB 0.279 68.954 68.868 -0.321 0.000 1.010 150 T HN 0.420 8.053 8.240 -1.013 0.000 0.466 151 G N 8.494 116.806 108.800 -0.812 0.000 4.148 151 G HA2 -0.500 3.352 3.960 -0.181 0.000 0.221 151 G HA3 -0.500 3.286 3.960 -0.289 0.000 0.221 151 G C -1.585 173.140 174.900 -0.291 0.000 1.373 151 G CA 1.274 46.138 45.100 -0.394 0.000 0.940 151 G HN 0.548 8.411 8.290 -0.711 0.000 0.610 152 K N 0.271 120.436 120.400 -0.391 0.000 2.571 152 K HA 0.215 4.792 4.320 0.308 -0.072 0.289 152 K C -2.290 174.314 176.600 0.008 0.000 1.028 152 K CA -1.590 54.682 56.287 -0.025 0.000 0.895 152 K CB 3.223 35.680 32.500 -0.071 0.000 1.534 152 K HN -0.106 7.757 8.250 -0.537 0.065 0.421 153 L N 0.279 121.542 121.223 0.066 0.000 2.331 153 L HA 0.156 4.562 4.340 0.111 0.000 0.278 153 L C -1.366 175.465 176.870 -0.065 0.000 1.106 153 L CA 0.115 54.966 54.840 0.019 0.000 0.824 153 L CB 1.552 43.572 42.059 -0.065 0.000 1.142 153 L HN 0.741 8.866 8.230 0.003 0.106 0.443 154 S N 5.874 121.568 115.700 -0.010 0.000 2.667 154 S HA 0.570 5.271 4.470 -0.015 -0.240 0.304 154 S C -0.877 173.768 174.600 0.075 0.000 1.135 154 S CA -2.009 56.192 58.200 0.001 0.000 1.125 154 S CB 0.902 64.081 63.200 -0.034 0.000 0.996 154 S HN 0.126 8.532 8.310 0.028 -0.079 0.474 155 V N 7.373 127.387 119.914 0.167 0.000 2.322 155 V HA 0.476 5.117 4.120 0.233 -0.380 0.258 155 V C -0.165 176.098 176.094 0.282 0.000 1.074 155 V CA -0.788 61.690 62.300 0.296 0.000 0.909 155 V CB 0.282 32.411 31.823 0.509 0.000 1.090 155 V HN -0.225 8.070 8.190 0.176 0.000 0.486 156 E N 8.903 129.196 120.200 0.155 0.000 2.115 156 E HA 0.173 4.437 4.350 -0.143 0.000 0.282 156 E C -1.235 175.416 176.600 0.086 0.000 0.987 156 E CA -0.946 55.454 56.400 0.001 0.000 0.797 156 E CB 0.831 30.495 29.700 -0.059 0.000 1.086 156 E HN 0.010 8.452 8.360 0.136 0.000 0.397 157 F N 2.035 121.879 119.950 -0.177 0.000 2.467 157 F HA 0.675 5.294 4.527 -0.108 -0.157 0.336 157 F C -1.168 174.413 175.800 -0.365 0.000 1.123 157 F CA -2.977 54.894 58.000 -0.214 0.000 0.964 157 F CB 1.736 40.627 39.000 -0.183 0.000 1.136 157 F HN -0.023 7.822 8.300 -0.757 0.000 0.447 158 V N 3.253 123.084 119.914 -0.140 0.000 2.547 158 V HA 0.269 4.194 4.120 -0.325 0.000 0.299 158 V C -0.473 175.529 176.094 -0.154 0.000 1.040 158 V CA -2.081 60.101 62.300 -0.197 0.000 0.913 158 V CB 2.963 34.729 31.823 -0.096 0.000 0.992 158 V HN -0.160 8.031 8.190 0.002 0.000 0.449 159 K N 4.083 124.365 120.400 -0.197 0.000 2.401 159 K HA -0.250 4.122 4.320 -0.222 -0.186 0.278 159 K C -0.947 175.671 176.600 0.029 0.000 1.018 159 K CA 0.777 56.976 56.287 -0.146 0.000 0.981 159 K CB -0.395 31.986 32.500 -0.198 0.000 0.933 159 K HN 0.209 8.322 8.250 -0.227 0.000 0.477 160 G N 2.055 110.983 108.800 0.213 0.000 2.543 160 G HA2 -0.069 3.989 3.960 0.163 0.000 0.221 160 G HA3 -0.069 4.253 3.960 0.374 -0.138 0.221 160 G C -1.447 173.593 174.900 0.233 0.000 1.902 160 G CA -0.131 45.127 45.100 0.262 0.000 0.838 160 G HN 0.565 9.021 8.290 0.277 0.000 0.650 161 Y N 2.868 123.282 120.300 0.190 0.000 2.636 161 Y HA -0.002 4.592 4.550 0.073 0.000 0.341 161 Y C -0.623 175.409 175.900 0.220 0.000 1.169 161 Y CA -1.408 56.765 58.100 0.122 0.000 1.498 161 Y CB -1.355 37.126 38.460 0.036 0.000 1.362 161 Y HN -0.204 8.367 8.280 0.485 0.000 0.494 162 Y N 5.122 125.295 120.300 -0.211 0.000 2.736 162 Y HA -0.543 3.914 4.550 -0.155 0.000 0.479 162 Y C -1.652 174.239 175.900 -0.016 0.000 1.110 162 Y CA 3.393 61.402 58.100 -0.152 0.000 2.900 162 Y CB -1.060 37.273 38.460 -0.212 0.000 1.048 162 Y HN -0.113 8.118 8.280 -0.082 0.000 0.588 163 D N 0.536 121.032 120.400 0.160 0.000 2.382 163 D HA 0.054 4.560 4.640 -0.223 0.000 0.240 163 D C -0.811 175.298 176.300 -0.319 0.000 1.146 163 D CA 1.568 55.548 54.000 -0.034 0.000 0.897 163 D CB 0.831 41.764 40.800 0.221 0.000 1.197 163 D HN -0.009 8.603 8.370 0.478 0.045 0.432 164 N N -0.297 118.027 118.700 -0.628 0.000 2.879 164 N HA 0.254 4.209 4.740 -1.307 0.000 0.329 164 N C -2.511 172.074 175.510 -1.542 0.000 1.337 164 N CA -2.119 50.289 53.050 -1.070 0.000 0.844 164 N CB -0.720 37.428 38.487 -0.565 0.000 1.236 164 N HN 0.015 8.144 8.380 -0.419 0.000 0.601 165 P HA -0.144 3.820 4.420 -0.760 0.000 0.242 165 P C -1.151 176.009 177.300 -0.233 0.000 1.116 165 P CA 1.089 63.760 63.100 -0.714 0.000 0.954 165 P CB -0.545 30.688 31.700 -0.777 0.000 0.908 166 K N 3.046 123.359 120.400 -0.146 0.000 1.973 166 K HA -0.244 4.328 4.320 0.040 -0.229 0.212 166 K C -0.280 176.400 176.600 0.134 0.000 1.047 166 K CA 2.869 59.182 56.287 0.044 0.000 0.937 166 K CB 0.518 33.086 32.500 0.113 0.000 0.721 166 K HN -0.157 7.989 8.250 -0.174 0.000 0.440 167 V N -3.264 116.756 119.914 0.177 0.000 2.439 167 V HA 0.059 4.256 4.120 0.129 0.000 0.282 167 V C -1.155 175.099 176.094 0.266 0.000 1.039 167 V CA -0.052 62.356 62.300 0.179 0.000 0.913 167 V CB 1.097 33.018 31.823 0.163 0.000 0.983 167 V HN -0.349 7.959 8.190 0.196 0.000 0.460 168 C N 8.574 127.970 119.300 0.161 0.000 2.814 168 C HA 0.320 4.853 4.460 0.121 0.000 0.269 168 C C -1.279 173.674 174.990 -0.061 0.000 1.090 168 C CA -1.955 57.126 59.018 0.106 0.000 1.492 168 C CB 0.786 28.617 27.740 0.153 0.000 1.825 168 C HN 0.056 8.348 8.230 0.102 0.000 0.442 169 A N 8.649 131.370 122.820 -0.165 0.000 2.426 169 A HA 0.116 4.455 4.320 -0.138 -0.102 0.247 169 A C -0.464 177.028 177.584 -0.154 0.000 1.389 169 A CA -1.030 50.918 52.037 -0.148 0.000 1.129 169 A CB -0.909 18.024 19.000 -0.111 0.000 0.928 169 A HN 1.103 9.027 8.150 -0.206 0.103 0.557 170 L N 1.516 122.630 121.223 -0.182 0.000 2.747 170 L HA -0.206 4.054 4.340 -0.133 0.000 0.286 170 L C -1.988 174.912 176.870 0.050 0.000 1.216 170 L CA 0.832 55.601 54.840 -0.118 0.000 0.930 170 L CB -1.296 40.621 42.059 -0.238 0.000 1.216 170 L HN -0.471 7.533 8.230 -0.171 0.123 0.486 171 F N 9.217 129.132 119.950 -0.058 0.000 2.659 171 F HA 0.327 4.863 4.527 0.016 0.000 0.342 171 F C -2.918 172.934 175.800 0.087 0.000 1.168 171 F CA -2.224 55.786 58.000 0.018 0.000 1.003 171 F CB 2.429 41.440 39.000 0.018 0.000 1.267 171 F HN -0.225 8.127 8.300 0.086 0.000 0.463 172 I N 9.887 130.481 120.570 0.040 0.000 2.321 172 I HA 0.523 4.683 4.170 -0.299 -0.170 0.291 172 I C -2.620 173.354 176.117 -0.238 0.000 0.998 172 I CA -2.222 58.996 61.300 -0.138 0.000 1.227 172 I CB 2.411 40.461 38.000 0.084 0.000 1.368 172 I HN 0.398 8.836 8.210 0.380 0.000 0.466 173 M N 7.420 126.753 119.600 -0.444 0.000 2.598 173 M HA 0.543 5.037 4.480 0.023 0.000 0.317 173 M C -2.357 173.964 176.300 0.034 0.000 1.179 173 M CA -2.206 52.977 55.300 -0.196 0.000 0.936 173 M CB 3.511 35.898 32.600 -0.356 0.000 1.713 173 M HN 0.454 8.447 8.290 -0.495 0.000 0.460 174 K N 1.143 121.617 120.400 0.123 0.000 2.156 174 K HA 0.227 4.722 4.320 0.292 0.000 0.271 174 K C 0.767 177.322 176.600 -0.075 0.000 0.995 174 K CA -0.743 55.622 56.287 0.130 0.000 0.890 174 K CB 1.398 34.027 32.500 0.215 0.000 1.073 174 K HN 0.172 8.369 8.250 0.123 0.127 0.454 175 G N 4.935 113.570 108.800 -0.274 0.000 2.279 175 G HA2 -0.296 3.443 3.960 -0.369 0.000 0.223 175 G HA3 -0.296 3.566 3.960 -0.164 0.000 0.223 175 G C -1.455 173.332 174.900 -0.188 0.000 1.015 175 G CA 0.416 45.361 45.100 -0.258 0.000 0.621 175 G HN 0.515 8.452 8.290 -0.445 0.086 0.506 176 T N -3.301 111.172 114.554 -0.134 0.000 2.831 176 T HA 0.166 4.615 4.350 -0.106 -0.162 0.333 176 T C -1.675 172.981 174.700 -0.074 0.000 1.684 176 T CA -0.804 61.238 62.100 -0.096 0.000 1.049 176 T CB 2.391 71.217 68.868 -0.070 0.000 1.518 176 T HN -0.864 7.237 8.240 -0.121 0.067 0.491 177 A N 0.627 123.408 122.820 -0.064 0.000 2.072 177 A HA 0.021 4.305 4.320 -0.060 0.000 0.216 177 A C -0.449 177.112 177.584 -0.039 0.000 1.156 177 A CA 0.945 52.950 52.037 -0.053 0.000 0.701 177 A CB 0.540 19.512 19.000 -0.047 0.000 0.816 177 A HN 0.606 8.717 8.150 -0.064 0.000 0.458 178 D N 0.000 120.379 120.400 -0.036 0.000 6.856 178 D HA 0.000 4.626 4.640 -0.023 0.000 0.175 178 D CA 0.000 53.984 54.000 -0.026 0.000 0.868 178 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 178 D HN 0.000 8.304 8.370 -0.042 0.041 0.683