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 2jqy_1_A DATA FIRST_RESID 1 DATA SEQUENCE EERNDWHFNI GAMYEIENVE GYGEDMDGLA EPSVYFNAAN GPWRIALAYY DATA SEQUENCE QEGPVDYSAG KRGTWFDRPE LEVHYQFLEN DDFSFGLTGG FRNYGYHYVD DATA SEQUENCE EPGKDTANMQ RWKIAPDWDV KLTDDLRFNG WLSMYKFAND LNTTGYADTR DATA SEQUENCE VETETGLQYT FNETVALRVN YYLERGFNMD DSRNNGEFST QEIRAYLPLT DATA SEQUENCE LGNHSVTPYT RIGLDRWSNW DWQDDIEREG HDFNRVGLFY GYDFQNGLSV DATA SEQUENCE SLEYAFEWQD HDEGDSDKFH YAGVGVNYSF 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 1 E HA 0.000 4.390 4.350 0.067 0.000 0.291 1 E C 0.000 176.629 176.600 0.048 0.000 1.382 1 E CA 0.000 56.429 56.400 0.049 0.000 0.976 1 E CB 0.000 29.715 29.700 0.026 0.000 0.812 2 E N -0.913 119.298 120.200 0.019 0.000 2.761 2 E HA 0.201 4.555 4.350 0.006 0.000 0.266 2 E C -1.121 175.468 176.600 -0.017 0.000 1.097 2 E CA 0.260 56.657 56.400 -0.005 0.000 0.773 2 E CB 0.448 30.130 29.700 -0.030 0.000 1.453 2 E HN 0.132 8.501 8.360 0.015 0.000 0.388 3 R N 0.385 120.876 120.500 -0.014 0.000 4.109 3 R HA 0.077 4.390 4.340 -0.045 0.000 0.101 3 R C -1.683 174.595 176.300 -0.036 0.000 0.690 3 R CA 0.568 56.653 56.100 -0.026 0.000 1.473 3 R CB 1.661 31.959 30.300 -0.004 0.000 1.608 3 R HN 0.295 8.567 8.270 0.003 0.000 0.431 4 N N -1.501 117.202 118.700 0.005 0.000 2.605 4 N HA 0.132 4.849 4.740 -0.039 0.000 0.265 4 N C -1.079 174.504 175.510 0.122 0.000 1.625 4 N CA 0.293 53.363 53.050 0.033 0.000 0.862 4 N CB -0.441 38.080 38.487 0.056 0.000 1.415 4 N HN -0.387 8.009 8.380 0.027 0.000 0.513 5 D N 0.678 121.151 120.400 0.121 0.000 2.454 5 D HA -0.011 4.740 4.640 0.184 0.000 0.219 5 D C -0.350 176.124 176.300 0.291 0.000 1.081 5 D CA 0.532 54.639 54.000 0.179 0.000 0.867 5 D CB 0.700 41.579 40.800 0.132 0.000 1.054 5 D HN 0.010 8.418 8.370 0.063 0.000 0.500 6 W N -1.199 120.109 121.300 0.014 0.000 3.079 6 W HA -0.394 4.463 4.660 -0.050 -0.227 0.455 6 W C -1.741 174.739 176.519 -0.066 0.000 1.856 6 W CA 0.733 58.050 57.345 -0.048 0.000 0.459 6 W CB -1.703 27.707 29.460 -0.084 0.000 2.859 6 W HN -0.274 7.956 8.180 0.084 0.000 0.417 7 H N 4.258 123.365 119.070 0.061 0.000 2.551 7 H HA 0.123 4.777 4.556 0.164 0.000 0.321 7 H C -1.643 173.699 175.328 0.024 0.000 1.028 7 H CA -0.450 55.639 56.048 0.068 0.000 1.215 7 H CB 1.715 31.475 29.762 -0.003 0.000 1.414 7 H HN -0.161 8.240 8.280 0.077 -0.075 0.480 8 F N 5.425 125.499 119.950 0.207 0.000 2.420 8 F HA 0.189 4.792 4.527 0.126 0.000 0.352 8 F C -0.902 174.949 175.800 0.084 0.000 1.108 8 F CA 0.376 58.460 58.000 0.140 0.000 1.162 8 F CB 1.053 40.150 39.000 0.161 0.000 1.118 8 F HN -0.180 8.324 8.300 0.340 0.000 0.510 9 N N 3.920 122.672 118.700 0.087 0.000 2.260 9 N HA 0.743 5.763 4.740 0.168 -0.179 0.293 9 N C -2.042 173.411 175.510 -0.095 0.000 1.058 9 N CA -0.241 52.853 53.050 0.074 0.000 0.824 9 N CB 4.265 42.833 38.487 0.135 0.000 1.551 9 N HN -0.138 8.174 8.380 -0.113 0.000 0.475 10 I N 3.971 124.608 120.570 0.112 0.000 2.685 10 I HA 0.547 5.037 4.170 0.139 -0.237 0.289 10 I C -2.961 173.274 176.117 0.196 0.000 1.292 10 I CA -1.538 59.831 61.300 0.116 0.000 1.050 10 I CB 4.285 42.292 38.000 0.012 0.000 1.301 10 I HN 0.767 9.099 8.210 0.203 0.000 0.425 11 G N 5.588 114.537 108.800 0.248 0.000 2.569 11 G HA2 0.834 4.931 3.960 0.094 0.000 0.300 11 G HA3 0.834 4.830 3.960 0.059 -0.001 0.300 11 G C -3.286 171.690 174.900 0.127 0.000 1.269 11 G CA -1.585 43.594 45.100 0.133 0.000 0.959 11 G HN -0.185 8.221 8.290 0.383 0.114 0.478 12 A N -0.545 122.314 122.820 0.067 0.000 2.456 12 A HA 0.888 5.470 4.320 0.030 -0.245 0.288 12 A C -1.822 175.774 177.584 0.019 0.000 1.042 12 A CA -0.701 51.356 52.037 0.035 0.000 0.738 12 A CB 3.073 22.090 19.000 0.029 0.000 1.266 12 A HN 0.220 8.400 8.150 0.050 0.000 0.407 13 M N 3.529 123.115 119.600 -0.024 0.000 2.528 13 M HA 0.619 5.257 4.480 0.035 -0.137 0.318 13 M C -1.299 174.970 176.300 -0.052 0.000 1.195 13 M CA -0.869 54.423 55.300 -0.013 0.000 1.000 13 M CB 3.939 36.523 32.600 -0.026 0.000 1.615 13 M HN 0.110 8.368 8.290 -0.053 0.000 0.469 14 Y N -1.015 119.247 120.300 -0.064 0.000 2.442 14 Y HA 0.193 4.689 4.550 -0.089 0.000 0.330 14 Y C -2.689 173.146 175.900 -0.107 0.000 1.100 14 Y CA -0.372 57.680 58.100 -0.081 0.000 1.034 14 Y CB 4.482 42.903 38.460 -0.065 0.000 1.285 14 Y HN 0.729 9.065 8.280 0.094 0.000 0.440 15 E N 4.500 124.820 120.200 0.200 0.000 2.155 15 E HA 0.331 4.645 4.350 -0.060 0.000 0.264 15 E C -1.348 175.279 176.600 0.044 0.000 0.886 15 E CA -0.624 55.771 56.400 -0.008 0.000 0.752 15 E CB 1.303 30.868 29.700 -0.224 0.000 1.133 15 E HN 0.355 8.887 8.360 0.288 0.000 0.414 16 I N 3.247 123.796 120.570 -0.036 0.000 2.894 16 I HA 0.224 4.407 4.170 0.023 0.000 0.302 16 I C -1.011 175.071 176.117 -0.059 0.000 1.188 16 I CA -1.275 60.004 61.300 -0.036 0.000 1.014 16 I CB 3.485 41.423 38.000 -0.104 0.000 1.242 16 I HN 0.164 8.320 8.210 -0.091 0.000 0.430 17 E N 2.894 123.108 120.200 0.024 0.000 2.803 17 E HA 0.202 4.625 4.350 0.122 0.000 0.250 17 E C -0.991 175.681 176.600 0.120 0.000 1.102 17 E CA -1.084 55.384 56.400 0.114 0.000 1.017 17 E CB 1.492 31.277 29.700 0.141 0.000 1.346 17 E HN -0.214 8.170 8.360 0.039 0.000 0.532 18 N N 0.494 119.300 118.700 0.177 0.000 2.327 18 N HA -0.019 4.774 4.740 0.087 0.000 0.231 18 N C -1.293 174.240 175.510 0.038 0.000 1.130 18 N CA -0.129 52.981 53.050 0.100 0.000 0.845 18 N CB -0.161 38.375 38.487 0.082 0.000 1.073 18 N HN 0.227 8.741 8.380 0.224 0.000 0.496 19 V N -5.054 114.879 119.914 0.032 0.000 4.448 19 V HA -0.445 3.684 4.120 0.016 0.000 0.248 19 V C -1.414 174.681 176.094 0.003 0.000 0.492 19 V CA 0.622 62.928 62.300 0.011 0.000 0.835 19 V CB -2.232 29.588 31.823 -0.005 0.000 0.834 19 V HN -0.188 7.929 8.190 0.047 0.100 1.243 20 E N -2.846 117.358 120.200 0.006 0.000 8.052 20 E HA -0.366 3.977 4.350 -0.012 0.000 0.466 20 E C 0.060 176.664 176.600 0.007 0.000 0.765 20 E CA 0.408 56.807 56.400 -0.001 0.000 1.332 20 E CB 0.600 30.302 29.700 0.003 0.000 0.986 20 E HN -0.831 7.512 8.360 0.017 0.028 0.275 21 G N 3.282 112.096 108.800 0.023 0.000 2.433 21 G HA2 -0.247 3.735 3.960 0.035 0.000 0.216 21 G HA3 -0.247 3.758 3.960 0.074 0.000 0.216 21 G C -0.216 174.765 174.900 0.135 0.000 1.186 21 G CA 1.240 46.379 45.100 0.065 0.000 0.779 21 G HN 0.448 8.744 8.290 0.010 0.000 0.543 22 Y N 1.344 121.627 120.300 -0.028 0.000 2.376 22 Y HA 0.039 4.578 4.550 -0.018 0.000 0.326 22 Y C -0.549 175.341 175.900 -0.017 0.000 0.970 22 Y CA -0.169 57.918 58.100 -0.021 0.000 1.248 22 Y CB 0.087 38.534 38.460 -0.021 0.000 1.117 22 Y HN -0.461 7.927 8.280 0.180 0.000 0.476 23 G N 4.541 113.302 108.800 -0.066 0.000 2.459 23 G HA2 -0.201 3.724 3.960 -0.057 0.000 0.685 23 G HA3 -0.201 3.770 3.960 0.019 0.000 0.685 23 G C -2.930 171.950 174.900 -0.034 0.000 1.303 23 G CA -0.601 44.480 45.100 -0.032 0.000 0.907 23 G HN 0.066 8.239 8.290 -0.196 0.000 0.632 24 E N -0.648 119.537 120.200 -0.025 0.000 2.738 24 E HA 0.090 4.435 4.350 -0.009 0.000 0.347 24 E C -1.436 175.162 176.600 -0.003 0.000 1.077 24 E CA -0.223 56.167 56.400 -0.017 0.000 0.755 24 E CB 0.942 30.624 29.700 -0.030 0.000 1.576 24 E HN -0.152 8.195 8.360 -0.021 0.000 0.379 25 D N 2.497 122.902 120.400 0.009 0.000 2.623 25 D HA 0.080 4.727 4.640 0.012 0.000 0.252 25 D C -1.100 175.216 176.300 0.028 0.000 1.294 25 D CA 0.304 54.314 54.000 0.016 0.000 0.824 25 D CB 0.371 41.182 40.800 0.019 0.000 1.070 25 D HN 0.255 8.631 8.370 0.011 0.000 0.487 26 M N 0.373 119.991 119.600 0.029 0.000 2.149 26 M HA 0.121 4.631 4.480 0.050 0.000 0.273 26 M C -1.048 175.276 176.300 0.040 0.000 0.972 26 M CA -0.008 55.318 55.300 0.045 0.000 0.984 26 M CB 1.665 34.300 32.600 0.059 0.000 1.699 26 M HN -0.559 7.677 8.290 0.021 0.066 0.462 27 D N 4.485 124.910 120.400 0.042 0.000 2.584 27 D HA 0.039 4.694 4.640 0.026 0.000 0.254 27 D C 0.973 177.302 176.300 0.049 0.000 1.085 27 D CA 0.393 54.414 54.000 0.036 0.000 0.971 27 D CB 0.865 41.683 40.800 0.030 0.000 1.103 27 D HN 0.200 8.598 8.370 0.046 0.000 0.453 28 G N 0.469 109.305 108.800 0.060 0.000 2.349 28 G HA2 0.075 4.079 3.960 0.073 0.000 0.281 28 G HA3 0.075 4.079 3.960 0.073 0.000 0.281 28 G C -1.454 173.501 174.900 0.092 0.000 1.182 28 G CA 0.071 45.215 45.100 0.074 0.000 0.899 28 G HN -0.175 8.149 8.290 0.058 0.000 0.455 29 L N 3.706 124.991 121.223 0.103 0.000 2.513 29 L HA 0.172 4.584 4.340 0.121 0.000 0.261 29 L C -1.460 175.481 176.870 0.117 0.000 0.945 29 L CA -0.441 54.472 54.840 0.123 0.000 0.848 29 L CB 2.493 44.642 42.059 0.149 0.000 1.334 29 L HN -0.050 8.242 8.230 0.104 0.000 0.407 30 A N 1.420 124.292 122.820 0.086 0.000 3.277 30 A HA -0.294 4.154 4.320 0.001 -0.127 0.654 30 A C -1.676 175.906 177.584 -0.004 0.000 0.495 30 A CA 0.791 52.849 52.037 0.035 0.000 0.233 30 A CB 0.254 19.283 19.000 0.048 0.000 3.774 30 A HN 0.310 8.511 8.150 0.085 0.000 0.535 31 E N 1.279 121.418 120.200 -0.102 0.000 2.317 31 E HA 0.414 4.644 4.350 -0.199 0.000 0.270 31 E C -2.073 174.309 176.600 -0.363 0.000 0.885 31 E CA -2.963 53.312 56.400 -0.209 0.000 0.760 31 E CB 2.134 31.727 29.700 -0.179 0.000 1.227 31 E HN -0.075 8.343 8.360 -0.110 -0.124 0.434 32 P HA 0.161 4.367 4.420 -0.660 -0.182 0.275 32 P C -1.086 175.996 177.300 -0.365 0.000 1.228 32 P CA -0.631 62.094 63.100 -0.625 0.000 0.786 32 P CB 0.760 31.988 31.700 -0.787 0.000 0.927 33 S N 2.283 117.821 115.700 -0.270 0.000 2.422 33 S HA 0.262 4.601 4.470 -0.219 0.000 0.308 33 S C -0.235 174.338 174.600 -0.046 0.000 1.097 33 S CA -0.421 57.670 58.200 -0.182 0.000 1.099 33 S CB 1.437 64.525 63.200 -0.186 0.000 0.976 33 S HN -0.261 7.895 8.310 -0.258 0.000 0.471 34 V N 5.525 125.451 119.914 0.020 0.000 2.785 34 V HA 0.242 4.535 4.120 0.096 -0.115 0.300 34 V C -0.492 175.756 176.094 0.256 0.000 1.062 34 V CA -0.063 62.310 62.300 0.121 0.000 1.029 34 V CB 0.906 32.802 31.823 0.121 0.000 1.024 34 V HN -0.225 7.968 8.190 0.006 0.000 0.477 35 Y N 5.432 125.818 120.300 0.143 0.000 2.513 35 Y HA 0.221 4.885 4.550 0.189 0.000 0.340 35 Y C -2.741 173.306 175.900 0.246 0.000 1.055 35 Y CA -0.443 57.761 58.100 0.173 0.000 1.020 35 Y CB 4.090 42.621 38.460 0.118 0.000 1.301 35 Y HN -0.221 8.239 8.280 0.300 0.000 0.453 36 F N 5.964 125.687 119.950 -0.378 0.000 2.608 36 F HA 0.775 5.592 4.527 0.102 -0.229 0.309 36 F C -2.519 173.117 175.800 -0.272 0.000 1.103 36 F CA -0.785 57.138 58.000 -0.129 0.000 0.954 36 F CB 4.390 43.377 39.000 -0.021 0.000 1.267 36 F HN 0.310 8.184 8.300 -0.712 0.000 0.444 37 N N 2.706 121.394 118.700 -0.019 0.000 2.610 37 N HA 0.802 5.773 4.740 0.065 -0.192 0.264 37 N C -2.475 173.088 175.510 0.089 0.000 1.348 37 N CA -1.114 51.969 53.050 0.055 0.000 0.819 37 N CB 4.990 43.520 38.487 0.072 0.000 1.521 37 N HN 0.258 8.374 8.380 -0.441 0.000 0.497 38 A N -0.744 122.100 122.820 0.039 0.000 2.509 38 A HA 0.619 5.207 4.320 -0.010 -0.274 0.282 38 A C -2.736 174.756 177.584 -0.153 0.000 1.054 38 A CA -0.474 51.559 52.037 -0.007 0.000 0.820 38 A CB 2.843 21.913 19.000 0.116 0.000 1.333 38 A HN 0.373 8.513 8.150 -0.016 0.000 0.409 39 A N 3.596 126.319 122.820 -0.162 0.000 2.269 39 A HA 0.157 4.331 4.320 -0.245 0.000 0.302 39 A C -2.154 175.216 177.584 -0.356 0.000 1.266 39 A CA -0.827 51.080 52.037 -0.216 0.000 0.894 39 A CB 1.163 20.085 19.000 -0.129 0.000 1.147 39 A HN -0.028 8.148 8.150 -0.057 -0.061 0.537 40 N N 5.178 123.646 118.700 -0.387 0.000 2.716 40 N HA 0.186 4.608 4.740 -0.529 0.000 0.253 40 N C -0.032 175.325 175.510 -0.256 0.000 1.170 40 N CA -1.131 51.624 53.050 -0.490 0.000 0.807 40 N CB 1.067 39.091 38.487 -0.771 0.000 1.183 40 N HN -0.320 7.887 8.380 -0.288 0.000 0.524 41 G N 6.503 115.190 108.800 -0.190 0.000 2.591 41 G HA2 -0.364 3.531 3.960 -0.108 0.000 0.298 41 G HA3 -0.364 3.512 3.960 -0.140 0.000 0.298 41 G C -1.984 172.835 174.900 -0.136 0.000 1.195 41 G CA 0.697 45.714 45.100 -0.138 0.000 0.989 41 G HN 0.164 8.345 8.290 -0.182 0.000 0.551 42 P HA 0.150 4.457 4.420 -0.188 0.000 0.253 42 P C -1.921 175.282 177.300 -0.162 0.000 1.459 42 P CA -0.095 62.844 63.100 -0.268 0.000 0.908 42 P CB -0.047 31.346 31.700 -0.512 0.000 1.470 43 W N -0.254 120.857 121.300 -0.314 0.000 2.802 43 W HA 0.492 5.305 4.660 -0.145 -0.240 0.331 43 W C -2.679 173.750 176.519 -0.149 0.000 1.021 43 W CA -1.529 55.695 57.345 -0.203 0.000 1.259 43 W CB 3.528 32.872 29.460 -0.193 0.000 1.323 43 W HN -0.517 7.541 8.180 -0.026 0.107 0.432 44 R N 7.798 128.061 120.500 -0.395 0.000 2.239 44 R HA 0.651 5.026 4.340 -0.298 -0.214 0.332 44 R C -0.815 175.266 176.300 -0.366 0.000 0.988 44 R CA -1.257 54.627 56.100 -0.361 0.000 0.859 44 R CB 1.981 31.982 30.300 -0.498 0.000 1.148 44 R HN -0.184 7.896 8.270 -0.435 -0.072 0.482 45 I N 5.273 125.681 120.570 -0.270 0.000 2.396 45 I HA 0.194 4.338 4.170 -0.256 -0.127 0.289 45 I C -1.594 174.498 176.117 -0.041 0.000 1.056 45 I CA 0.222 61.427 61.300 -0.159 0.000 1.365 45 I CB 0.436 38.421 38.000 -0.024 0.000 1.407 45 I HN 0.601 8.680 8.210 -0.218 0.000 0.509 46 A N 8.088 130.884 122.820 -0.039 0.000 2.335 46 A HA 0.676 5.146 4.320 -0.036 -0.172 0.304 46 A C -2.282 175.258 177.584 -0.073 0.000 1.118 46 A CA -1.819 50.188 52.037 -0.050 0.000 0.757 46 A CB 2.728 21.722 19.000 -0.011 0.000 1.188 46 A HN 0.955 9.064 8.150 -0.069 0.000 0.460 47 L N 3.897 125.078 121.223 -0.070 0.000 2.372 47 L HA 0.559 5.030 4.340 -0.071 -0.174 0.273 47 L C -1.394 175.434 176.870 -0.071 0.000 0.989 47 L CA -0.714 54.086 54.840 -0.066 0.000 0.841 47 L CB 3.114 45.132 42.059 -0.068 0.000 1.225 47 L HN 0.154 8.259 8.230 -0.014 0.117 0.414 48 A N 4.595 127.380 122.820 -0.058 0.000 2.355 48 A HA 0.310 4.736 4.320 0.068 -0.065 0.324 48 A C -2.664 174.975 177.584 0.092 0.000 1.117 48 A CA -1.667 50.396 52.037 0.043 0.000 0.785 48 A CB 3.455 22.526 19.000 0.118 0.000 1.254 48 A HN -0.013 8.104 8.150 -0.056 0.000 0.453 49 Y N 2.760 123.085 120.300 0.042 0.000 2.353 49 Y HA 0.143 4.693 4.550 0.001 0.000 0.340 49 Y C -2.474 173.430 175.900 0.006 0.000 0.972 49 Y CA -0.729 57.374 58.100 0.005 0.000 1.157 49 Y CB 1.776 40.212 38.460 -0.040 0.000 1.157 49 Y HN -0.060 8.258 8.280 0.260 0.117 0.495 50 Y N 8.120 128.494 120.300 0.123 0.000 2.331 50 Y HA 0.233 4.836 4.550 0.089 0.000 0.338 50 Y C -2.245 173.706 175.900 0.086 0.000 0.976 50 Y CA -0.658 57.479 58.100 0.062 0.000 1.137 50 Y CB 2.114 40.523 38.460 -0.085 0.000 1.172 50 Y HN -0.313 8.024 8.280 0.095 0.000 0.478 51 Q N 4.664 124.492 119.800 0.048 0.000 2.280 51 Q HA 0.199 4.591 4.340 0.087 0.000 0.259 51 Q C -2.409 173.560 176.000 -0.052 0.000 0.964 51 Q CA -0.581 55.239 55.803 0.028 0.000 0.844 51 Q CB 3.977 32.702 28.738 -0.022 0.000 1.334 51 Q HN 0.246 8.397 8.270 -0.198 0.000 0.423 52 E N 4.761 124.976 120.200 0.025 0.000 2.314 52 E HA 0.151 4.481 4.350 -0.032 0.000 0.272 52 E C -1.616 175.024 176.600 0.067 0.000 0.884 52 E CA -0.716 55.699 56.400 0.025 0.000 0.753 52 E CB 3.319 33.068 29.700 0.082 0.000 1.213 52 E HN 0.380 9.130 8.360 0.076 -0.344 0.432 53 G N 3.833 112.679 108.800 0.076 0.000 2.243 53 G HA2 -0.104 3.939 3.960 0.139 0.000 0.231 53 G HA3 -0.104 4.065 3.960 0.349 0.000 0.231 53 G C -2.115 172.925 174.900 0.234 0.000 2.559 53 G CA -0.443 44.776 45.100 0.198 0.000 1.110 53 G HN 0.039 8.349 8.290 0.033 0.000 0.618 54 P HA -0.031 4.463 4.420 0.122 0.000 0.205 54 P C -0.224 177.179 177.300 0.173 0.000 1.203 54 P CA 1.768 64.948 63.100 0.135 0.000 0.926 54 P CB 0.822 32.581 31.700 0.098 0.000 0.767 55 V N -9.967 110.013 119.914 0.110 0.000 3.293 55 V HA 0.228 4.379 4.120 0.052 0.000 0.381 55 V C -1.794 174.317 176.094 0.028 0.000 1.465 55 V CA -1.635 60.705 62.300 0.067 0.000 1.331 55 V CB -0.672 31.200 31.823 0.080 0.000 1.160 55 V HN -0.425 7.822 8.190 0.094 0.000 0.565 56 D N 0.916 121.319 120.400 0.004 0.000 2.358 56 D HA 0.087 4.763 4.640 0.059 0.000 0.244 56 D C -1.359 174.910 176.300 -0.053 0.000 1.163 56 D CA 0.482 54.485 54.000 0.005 0.000 0.945 56 D CB 0.780 41.573 40.800 -0.012 0.000 1.152 56 D HN -0.404 7.978 8.370 0.020 0.000 0.451 57 Y N -0.206 120.048 120.300 -0.076 0.000 2.358 57 Y HA 0.193 4.658 4.550 -0.142 0.000 0.324 57 Y C -0.744 175.114 175.900 -0.069 0.000 1.123 57 Y CA -0.397 57.641 58.100 -0.102 0.000 1.067 57 Y CB 1.951 40.347 38.460 -0.106 0.000 1.230 57 Y HN 0.234 8.582 8.280 0.112 0.000 0.429 58 S N 7.093 122.922 115.700 0.215 0.000 3.142 58 S HA 0.228 4.757 4.470 0.097 0.000 0.223 58 S C -0.160 174.519 174.600 0.133 0.000 0.939 58 S CA -0.231 58.036 58.200 0.113 0.000 0.826 58 S CB 0.805 64.011 63.200 0.011 0.000 0.823 58 S HN 0.301 8.686 8.310 0.124 0.000 0.612 59 A N 2.515 125.402 122.820 0.112 0.000 1.616 59 A HA -0.238 4.134 4.320 0.087 0.000 0.208 59 A C -0.397 177.215 177.584 0.046 0.000 1.293 59 A CA 0.843 52.946 52.037 0.109 0.000 0.657 59 A CB -0.908 18.207 19.000 0.193 0.000 1.154 59 A HN 0.223 8.397 8.150 0.040 0.000 0.202 60 G N 2.495 111.298 108.800 0.005 0.000 4.241 60 G HA2 -0.210 3.765 3.960 0.024 0.000 0.193 60 G HA3 -0.210 3.762 3.960 0.019 0.000 0.193 60 G C 0.408 175.297 174.900 -0.019 0.000 1.789 60 G CA -0.164 44.940 45.100 0.007 0.000 1.025 60 G HN 0.226 8.499 8.290 -0.027 0.000 0.346 61 K N 0.456 120.838 120.400 -0.031 0.000 1.991 61 K HA -0.031 4.306 4.320 0.029 0.000 0.208 61 K C 0.314 176.843 176.600 -0.118 0.000 1.038 61 K CA 1.130 57.402 56.287 -0.024 0.000 0.943 61 K CB 0.228 32.722 32.500 -0.010 0.000 0.736 61 K HN -0.043 8.192 8.250 -0.024 0.000 0.440 62 R N -4.430 115.971 120.500 -0.165 0.000 2.810 62 R HA 0.206 4.301 4.340 -0.409 0.000 0.266 62 R C -2.083 174.006 176.300 -0.352 0.000 1.061 62 R CA -0.986 54.960 56.100 -0.257 0.000 0.943 62 R CB 2.477 32.703 30.300 -0.123 0.000 1.237 62 R HN -0.566 7.629 8.270 -0.124 0.000 0.459 63 G N -1.560 106.916 108.800 -0.540 0.000 2.701 63 G HA2 0.354 3.944 3.960 -0.617 0.000 0.300 63 G HA3 0.354 3.063 3.960 -2.085 0.000 0.300 63 G C -1.656 172.893 174.900 -0.584 0.000 1.410 63 G CA 0.186 44.714 45.100 -0.953 0.000 1.014 63 G HN 0.240 8.290 8.290 -0.399 0.000 0.509 64 T N -0.936 113.458 114.554 -0.267 0.000 3.686 64 T HA 0.189 4.614 4.350 0.125 0.000 0.248 64 T C -1.664 173.146 174.700 0.184 0.000 1.090 64 T CA -0.774 61.351 62.100 0.042 0.000 1.659 64 T CB 0.054 68.973 68.868 0.086 0.000 0.780 64 T HN 0.057 8.139 8.240 -0.264 0.000 0.632 65 W N 2.213 123.525 121.300 0.021 0.000 2.871 65 W HA 0.237 4.901 4.660 0.006 0.000 0.267 65 W C -0.672 175.937 176.519 0.151 0.000 1.180 65 W CA 0.695 58.069 57.345 0.049 0.000 1.463 65 W CB 0.768 30.226 29.460 -0.004 0.000 0.966 65 W HN -0.236 8.133 8.180 0.315 0.000 0.605 66 F N -0.291 119.736 119.950 0.129 0.000 2.037 66 F HA -0.269 4.149 4.527 -0.182 0.000 0.291 66 F C -0.357 175.436 175.800 -0.013 0.000 1.137 66 F CA 1.997 59.998 58.000 0.001 0.000 1.178 66 F CB 0.642 39.725 39.000 0.140 0.000 0.995 66 F HN -0.714 7.922 8.300 0.560 0.000 0.472 67 D N -5.250 115.329 120.400 0.300 0.000 5.377 67 D HA -0.350 4.406 4.640 0.192 0.000 0.315 67 D C -1.254 175.060 176.300 0.024 0.000 2.498 67 D CA 1.894 55.981 54.000 0.146 0.000 1.245 67 D CB 0.339 41.193 40.800 0.091 0.000 1.150 67 D HN -0.235 8.431 8.370 0.493 0.000 1.307 68 R N -3.869 116.582 120.500 -0.082 0.000 2.829 68 R HA 0.283 4.443 4.340 -0.300 0.000 0.284 68 R C -2.926 173.161 176.300 -0.355 0.000 1.006 68 R CA -1.472 54.493 56.100 -0.225 0.000 0.844 68 R CB 2.621 32.858 30.300 -0.105 0.000 1.309 68 R HN -0.197 8.021 8.270 -0.085 0.000 0.494 69 P HA 0.323 4.656 4.420 -0.417 -0.163 0.289 69 P C -1.531 175.622 177.300 -0.244 0.000 1.299 69 P CA -0.619 62.187 63.100 -0.490 0.000 0.766 69 P CB 1.152 32.476 31.700 -0.627 0.000 1.226 70 E N -3.960 116.150 120.200 -0.149 0.000 2.433 70 E HA 0.474 4.764 4.350 -0.100 0.000 0.273 70 E C -1.006 175.559 176.600 -0.059 0.000 0.950 70 E CA -0.864 55.483 56.400 -0.089 0.000 0.796 70 E CB 4.884 34.551 29.700 -0.055 0.000 1.330 70 E HN 0.506 8.689 8.360 -0.132 0.097 0.455 71 L N -0.781 120.431 121.223 -0.018 0.000 2.370 71 L HA 0.741 5.211 4.340 -0.029 -0.147 0.266 71 L C -1.068 175.804 176.870 0.003 0.000 1.002 71 L CA -0.547 54.292 54.840 -0.003 0.000 0.818 71 L CB 4.482 46.555 42.059 0.023 0.000 1.325 71 L HN 0.589 8.823 8.230 0.006 0.000 0.418 72 E N 0.855 121.039 120.200 -0.027 0.000 2.343 72 E HA 0.443 4.861 4.350 -0.085 -0.119 0.278 72 E C -2.137 174.376 176.600 -0.145 0.000 0.910 72 E CA -0.531 55.827 56.400 -0.070 0.000 0.757 72 E CB 4.569 34.258 29.700 -0.018 0.000 1.218 72 E HN 0.362 8.702 8.360 -0.033 0.000 0.435 73 V N -2.336 117.407 119.914 -0.285 0.000 2.808 73 V HA 0.971 5.041 4.120 -0.569 -0.291 0.308 73 V C -1.812 173.969 176.094 -0.522 0.000 1.099 73 V CA -2.605 59.335 62.300 -0.600 0.000 0.920 73 V CB 3.299 34.509 31.823 -1.021 0.000 1.014 73 V HN 0.636 8.558 8.190 -0.274 0.103 0.425 74 H N 4.654 123.400 119.070 -0.540 0.000 2.469 74 H HA 0.419 5.070 4.556 -0.063 -0.132 0.342 74 H C -1.723 173.605 175.328 -0.000 0.000 1.115 74 H CA -1.972 53.973 56.048 -0.172 0.000 1.204 74 H CB 3.391 33.100 29.762 -0.088 0.000 1.492 74 H HN -0.152 8.008 8.280 -0.327 -0.076 0.499 75 Y N 2.754 123.167 120.300 0.188 0.000 2.373 75 Y HA 0.398 5.395 4.550 0.295 -0.270 0.327 75 Y C -1.875 174.133 175.900 0.180 0.000 1.036 75 Y CA -1.340 56.915 58.100 0.258 0.000 1.265 75 Y CB 2.168 40.839 38.460 0.351 0.000 1.108 75 Y HN 0.418 8.780 8.280 0.318 0.109 0.471 76 Q N 6.900 126.867 119.800 0.279 0.000 2.360 76 Q HA 0.078 4.727 4.340 0.319 -0.117 0.254 76 Q C -1.095 175.093 176.000 0.313 0.000 0.975 76 Q CA -0.561 55.404 55.803 0.270 0.000 0.912 76 Q CB 0.478 29.297 28.738 0.134 0.000 1.212 76 Q HN 0.067 8.382 8.270 0.074 0.000 0.452 77 F N 5.901 126.052 119.950 0.336 0.000 2.075 77 F HA -0.240 4.486 4.527 0.332 0.000 0.297 77 F C 0.079 175.961 175.800 0.137 0.000 1.113 77 F CA 3.356 61.508 58.000 0.254 0.000 1.218 77 F CB 0.930 40.030 39.000 0.167 0.000 0.984 77 F HN -0.069 8.613 8.300 0.637 0.000 0.472 78 L N -3.863 117.562 121.223 0.337 0.000 2.370 78 L HA 0.200 4.640 4.340 0.166 0.000 0.266 78 L C -2.054 174.891 176.870 0.124 0.000 1.002 78 L CA -1.014 53.938 54.840 0.187 0.000 0.818 78 L CB 3.670 45.811 42.059 0.137 0.000 1.325 78 L HN -0.874 7.584 8.230 0.381 0.000 0.418 79 E N 2.674 122.925 120.200 0.085 0.000 2.256 79 E HA 0.269 4.653 4.350 0.057 0.000 0.243 79 E C -1.700 174.929 176.600 0.048 0.000 0.925 79 E CA -1.209 55.225 56.400 0.057 0.000 0.748 79 E CB 0.474 30.198 29.700 0.039 0.000 1.206 79 E HN 0.298 8.707 8.360 0.082 0.000 0.428 80 N N 5.894 124.623 118.700 0.048 0.000 2.369 80 N HA 0.146 4.903 4.740 0.028 0.000 0.287 80 N C -0.612 174.914 175.510 0.026 0.000 1.067 80 N CA 0.200 53.273 53.050 0.039 0.000 0.888 80 N CB 2.808 41.329 38.487 0.057 0.000 1.616 80 N HN -0.463 7.947 8.380 0.051 0.000 0.482 81 D N 1.436 121.839 120.400 0.006 0.000 2.263 81 D HA -0.303 4.348 4.640 0.018 0.000 0.208 81 D C 0.382 176.653 176.300 -0.049 0.000 0.971 81 D CA 2.890 56.888 54.000 -0.003 0.000 0.867 81 D CB 0.649 41.444 40.800 -0.008 0.000 0.929 81 D HN 0.270 8.643 8.370 0.004 0.000 0.492 82 D N -2.127 118.208 120.400 -0.108 0.000 2.137 82 D HA -0.194 4.238 4.640 -0.347 0.000 0.202 82 D C -0.508 175.475 176.300 -0.529 0.000 0.970 82 D CA 2.397 56.198 54.000 -0.332 0.000 0.837 82 D CB 0.496 41.111 40.800 -0.308 0.000 0.981 82 D HN 0.219 8.511 8.370 -0.062 0.041 0.475 83 F N -2.460 117.524 119.950 0.057 0.000 3.167 83 F HA 0.123 4.802 4.527 0.117 -0.082 0.389 83 F C -1.369 174.372 175.800 -0.098 0.000 1.233 83 F CA -1.905 56.116 58.000 0.034 0.000 1.238 83 F CB 1.205 40.247 39.000 0.070 0.000 1.971 83 F HN -0.708 7.620 8.300 0.046 0.000 0.651 84 S N 2.434 118.167 115.700 0.054 0.000 2.465 84 S HA 0.167 4.754 4.470 0.019 -0.106 0.279 84 S C -1.342 173.099 174.600 -0.265 0.000 1.201 84 S CA -0.767 57.413 58.200 -0.033 0.000 1.053 84 S CB 0.975 64.186 63.200 0.019 0.000 0.953 84 S HN 0.581 8.855 8.310 0.117 0.106 0.488 85 F N 9.486 129.226 119.950 -0.351 0.000 2.388 85 F HA 0.247 4.237 4.527 -0.894 0.000 0.358 85 F C -1.755 173.985 175.800 -0.100 0.000 1.122 85 F CA -0.852 56.872 58.000 -0.460 0.000 1.056 85 F CB 3.056 41.828 39.000 -0.380 0.000 1.155 85 F HN -0.328 8.008 8.300 0.060 0.000 0.461 86 G N 4.991 113.627 108.800 -0.273 0.000 2.630 86 G HA2 0.518 4.696 3.960 0.183 0.000 0.296 86 G HA3 0.518 4.517 3.960 0.064 0.000 0.296 86 G C -3.133 171.753 174.900 -0.023 0.000 1.285 86 G CA -1.881 43.228 45.100 0.016 0.000 0.958 86 G HN 0.609 8.439 8.290 -0.627 0.084 0.479 87 L N -0.176 121.117 121.223 0.117 0.000 2.676 87 L HA 0.241 4.689 4.340 -0.050 -0.138 0.262 87 L C -2.060 174.830 176.870 0.033 0.000 0.965 87 L CA 0.427 55.300 54.840 0.055 0.000 0.920 87 L CB 3.390 45.531 42.059 0.137 0.000 1.260 87 L HN -0.382 7.966 8.230 0.198 0.000 0.422 88 T N 7.753 122.231 114.554 -0.128 0.000 2.801 88 T HA 0.552 4.908 4.350 -0.286 -0.178 0.306 88 T C -0.366 174.153 174.700 -0.302 0.000 1.020 88 T CA -1.204 60.713 62.100 -0.304 0.000 0.948 88 T CB 0.545 69.134 68.868 -0.466 0.000 0.962 88 T HN -0.187 7.941 8.240 -0.187 0.000 0.465 89 G N 6.724 115.404 108.800 -0.200 0.000 2.335 89 G HA2 0.504 4.581 3.960 -0.178 0.000 0.314 89 G HA3 0.504 4.453 3.960 -0.017 0.000 0.314 89 G C -2.307 172.516 174.900 -0.128 0.000 1.129 89 G CA -1.315 43.708 45.100 -0.128 0.000 0.912 89 G HN 0.542 8.734 8.290 -0.163 0.000 0.443 90 G N 2.803 111.502 108.800 -0.168 0.000 2.481 90 G HA2 0.804 4.803 3.960 -0.053 0.000 0.315 90 G HA3 0.804 4.676 3.960 -0.147 0.000 0.315 90 G C -3.063 171.734 174.900 -0.171 0.000 1.231 90 G CA -1.722 43.303 45.100 -0.125 0.000 0.968 90 G HN 0.505 8.540 8.290 -0.223 0.122 0.482 91 F N 0.647 120.514 119.950 -0.138 0.000 2.467 91 F HA 0.640 5.151 4.527 -0.300 -0.164 0.336 91 F C -1.282 174.402 175.800 -0.193 0.000 1.123 91 F CA -1.302 56.568 58.000 -0.217 0.000 0.964 91 F CB 4.161 43.033 39.000 -0.213 0.000 1.136 91 F HN 0.687 8.922 8.300 0.100 0.124 0.447 92 R N 3.850 124.347 120.500 -0.005 0.000 2.393 92 R HA 0.301 4.602 4.340 -0.065 0.000 0.310 92 R C -1.988 174.310 176.300 -0.003 0.000 0.968 92 R CA -1.009 55.074 56.100 -0.030 0.000 0.867 92 R CB 2.300 32.595 30.300 -0.007 0.000 1.124 92 R HN 0.416 8.606 8.270 -0.133 0.000 0.450 93 N N 1.903 120.547 118.700 -0.094 0.000 2.399 93 N HA 0.699 5.719 4.740 0.009 -0.274 0.284 93 N C -1.284 174.146 175.510 -0.134 0.000 1.025 93 N CA -0.983 52.029 53.050 -0.064 0.000 0.885 93 N CB 2.939 41.379 38.487 -0.079 0.000 1.339 93 N HN 0.136 8.408 8.380 -0.180 0.000 0.487 94 Y N 2.675 122.984 120.300 0.014 0.000 2.393 94 Y HA 0.163 4.771 4.550 0.096 0.000 0.341 94 Y C -0.596 175.385 175.900 0.134 0.000 0.988 94 Y CA -0.504 57.640 58.100 0.074 0.000 1.078 94 Y CB 3.968 42.462 38.460 0.057 0.000 1.203 94 Y HN -0.384 8.006 8.280 0.183 0.000 0.453 95 G N 1.478 110.518 108.800 0.400 0.000 2.477 95 G HA2 0.033 4.291 3.960 0.177 0.000 0.304 95 G HA3 0.033 4.344 3.960 0.586 0.000 0.304 95 G C -1.265 173.888 174.900 0.422 0.000 1.175 95 G CA -1.191 44.129 45.100 0.366 0.000 0.907 95 G HN -0.008 8.526 8.290 0.408 0.000 0.509 96 Y N 0.712 121.060 120.300 0.080 0.000 2.750 96 Y HA -0.750 3.853 4.550 0.043 -0.027 0.477 96 Y C 0.258 176.290 175.900 0.220 0.000 1.138 96 Y CA 3.790 61.962 58.100 0.120 0.000 2.829 96 Y CB -1.209 37.356 38.460 0.175 0.000 1.073 96 Y HN -0.205 8.119 8.280 -0.017 -0.054 0.590 97 H N -1.897 117.461 119.070 0.481 0.000 4.702 97 H HA -0.540 4.182 4.556 0.277 0.000 0.069 97 H C -1.951 173.654 175.328 0.460 0.000 0.593 97 H CA 2.213 58.475 56.048 0.357 0.000 1.050 97 H CB -0.099 29.817 29.762 0.257 0.000 0.788 97 H HN 0.056 8.667 8.280 0.620 0.042 0.820 98 Y N -2.929 117.483 120.300 0.187 0.000 2.337 98 Y HA -0.030 4.703 4.550 0.305 0.000 0.318 98 Y C -2.158 173.728 175.900 -0.024 0.000 1.258 98 Y CA -0.403 57.741 58.100 0.073 0.000 1.132 98 Y CB 2.395 40.749 38.460 -0.177 0.000 1.307 98 Y HN -0.143 8.302 8.280 0.350 0.045 0.428 99 V N 6.955 126.971 119.914 0.171 0.000 2.655 99 V HA -0.089 3.981 4.120 -0.084 0.000 0.300 99 V C -0.470 175.726 176.094 0.171 0.000 1.044 99 V CA 1.420 63.749 62.300 0.048 0.000 1.095 99 V CB 0.049 31.858 31.823 -0.023 0.000 0.952 99 V HN 0.346 8.589 8.190 0.088 0.000 0.485 100 D N 3.112 123.547 120.400 0.059 0.000 1.412 100 D HA -0.078 4.591 4.640 0.048 0.000 0.786 100 D C -0.671 175.634 176.300 0.008 0.000 0.571 100 D CA 0.584 54.607 54.000 0.038 0.000 1.290 100 D CB 0.798 41.606 40.800 0.014 0.000 1.180 100 D HN 0.418 8.793 8.370 0.009 0.000 0.439 101 E N 1.672 121.871 120.200 -0.001 0.000 2.070 101 E HA 0.339 4.686 4.350 -0.006 0.000 0.282 101 E C -1.380 175.211 176.600 -0.016 0.000 1.104 101 E CA -1.915 54.480 56.400 -0.009 0.000 0.876 101 E CB 0.436 30.130 29.700 -0.009 0.000 1.055 101 E HN 0.088 8.448 8.360 -0.000 0.000 0.401 102 P HA -0.061 4.352 4.420 -0.012 0.000 0.235 102 P C -1.210 176.083 177.300 -0.012 0.000 1.720 102 P CA 0.023 63.117 63.100 -0.010 0.000 1.003 102 P CB -1.239 30.459 31.700 -0.004 0.000 1.968 103 G N 0.842 109.630 108.800 -0.020 0.000 2.647 103 G HA2 0.044 3.996 3.960 -0.013 0.000 0.212 103 G HA3 0.044 3.993 3.960 -0.017 0.000 0.212 103 G C -0.905 173.978 174.900 -0.030 0.000 1.540 103 G CA 0.711 45.799 45.100 -0.019 0.000 0.608 103 G HN 0.384 8.595 8.290 -0.028 0.063 1.094 104 K N 1.539 121.911 120.400 -0.047 0.000 2.324 104 K HA 0.393 4.679 4.320 -0.057 0.000 0.253 104 K C -1.063 175.474 176.600 -0.106 0.000 0.932 104 K CA -0.908 55.337 56.287 -0.071 0.000 0.799 104 K CB 2.104 34.553 32.500 -0.084 0.000 1.154 104 K HN -0.607 7.615 8.250 -0.047 0.000 0.425 105 D N 2.827 123.160 120.400 -0.111 0.000 2.097 105 D HA -0.191 4.368 4.640 -0.135 0.000 0.195 105 D C -0.016 176.115 176.300 -0.281 0.000 0.989 105 D CA 1.847 55.760 54.000 -0.144 0.000 0.827 105 D CB 0.603 41.370 40.800 -0.056 0.000 0.966 105 D HN 0.339 8.658 8.370 -0.084 0.000 0.456 106 T N -3.298 111.076 114.554 -0.299 0.000 2.888 106 T HA 0.168 4.269 4.350 -0.415 0.000 0.284 106 T C -2.040 172.490 174.700 -0.283 0.000 1.017 106 T CA -1.263 60.613 62.100 -0.374 0.000 1.022 106 T CB 1.958 70.462 68.868 -0.607 0.000 1.013 106 T HN -0.517 7.560 8.240 -0.271 0.000 0.465 107 A N 1.151 123.887 122.820 -0.140 0.000 2.356 107 A HA 0.224 4.495 4.320 -0.081 0.000 0.323 107 A C -1.938 175.653 177.584 0.011 0.000 1.119 107 A CA -1.590 50.426 52.037 -0.036 0.000 0.790 107 A CB 2.493 21.539 19.000 0.076 0.000 1.273 107 A HN 0.125 8.182 8.150 -0.076 0.047 0.452 108 N N 0.796 119.498 118.700 0.003 0.000 2.408 108 N HA 0.547 5.563 4.740 0.052 -0.245 0.280 108 N C -1.156 174.358 175.510 0.006 0.000 1.002 108 N CA -0.788 52.272 53.050 0.016 0.000 0.907 108 N CB 2.237 40.717 38.487 -0.012 0.000 1.161 108 N HN 0.232 8.608 8.380 -0.007 0.000 0.488 109 M N 3.692 123.291 119.600 -0.003 0.000 2.300 109 M HA 0.448 5.096 4.480 -0.075 -0.213 0.348 109 M C -1.749 174.545 176.300 -0.009 0.000 1.151 109 M CA -1.742 53.517 55.300 -0.069 0.000 1.046 109 M CB 3.627 36.076 32.600 -0.250 0.000 1.647 109 M HN 0.151 8.476 8.290 0.058 0.000 0.451 110 Q N 2.591 122.376 119.800 -0.025 0.000 2.293 110 Q HA 0.726 5.209 4.340 -0.017 -0.154 0.261 110 Q C -1.019 174.885 176.000 -0.159 0.000 0.960 110 Q CA -1.644 54.118 55.803 -0.068 0.000 0.882 110 Q CB 2.270 30.947 28.738 -0.102 0.000 1.275 110 Q HN 0.834 9.094 8.270 -0.016 0.000 0.445 111 R N 0.690 121.023 120.500 -0.278 0.000 2.533 111 R HA 0.725 5.164 4.340 -0.258 -0.254 0.288 111 R C -1.113 174.830 176.300 -0.595 0.000 1.039 111 R CA -1.281 54.617 56.100 -0.336 0.000 0.909 111 R CB 3.759 33.941 30.300 -0.197 0.000 1.195 111 R HN -0.070 8.076 8.270 -0.207 0.000 0.438 112 W N 3.060 124.076 121.300 -0.473 0.000 2.381 112 W HA 0.413 4.677 4.660 -0.883 -0.134 0.329 112 W C -0.723 175.461 176.519 -0.558 0.000 1.157 112 W CA -0.774 56.198 57.345 -0.622 0.000 1.240 112 W CB 2.709 31.865 29.460 -0.506 0.000 1.199 112 W HN 0.380 8.536 8.180 -0.041 0.000 0.579 113 K N 2.506 122.705 120.400 -0.334 0.000 2.690 113 K HA 0.780 4.950 4.320 -0.685 -0.262 0.243 113 K C -1.505 174.854 176.600 -0.402 0.000 0.982 113 K CA -0.957 55.017 56.287 -0.522 0.000 0.955 113 K CB 2.638 34.784 32.500 -0.590 0.000 1.185 113 K HN 0.103 8.190 8.250 -0.272 0.000 0.467 114 I N 5.642 125.980 120.570 -0.387 0.000 2.493 114 I HA 0.628 4.854 4.170 -0.319 -0.246 0.298 114 I C -1.783 174.054 176.117 -0.467 0.000 0.998 114 I CA -1.979 59.116 61.300 -0.342 0.000 1.137 114 I CB 3.590 41.452 38.000 -0.229 0.000 1.310 114 I HN -0.147 7.825 8.210 -0.397 0.000 0.445 115 A N 3.735 126.229 122.820 -0.544 0.000 2.745 115 A HA 0.755 4.911 4.320 -0.710 -0.261 0.301 115 A C -2.869 174.409 177.584 -0.511 0.000 1.188 115 A CA -3.154 48.382 52.037 -0.836 0.000 0.746 115 A CB 1.177 19.046 19.000 -1.885 0.000 1.207 115 A HN -0.037 7.855 8.150 -0.429 0.000 0.432 116 P HA -0.143 4.381 4.420 -0.190 -0.217 0.257 116 P C -1.424 175.913 177.300 0.061 0.000 1.359 116 P CA -0.470 62.557 63.100 -0.121 0.000 1.239 116 P CB -0.850 30.835 31.700 -0.026 0.000 1.549 117 D N 2.799 123.255 120.400 0.093 0.000 2.359 117 D HA -0.217 4.808 4.640 0.642 0.000 0.273 117 D C -1.159 175.199 176.300 0.096 0.000 1.362 117 D CA 1.415 55.598 54.000 0.305 0.000 1.010 117 D CB 0.444 41.426 40.800 0.304 0.000 1.090 117 D HN -0.155 8.134 8.370 0.017 0.091 0.521 118 W N 6.482 127.843 121.300 0.100 0.000 2.376 118 W HA 0.352 5.291 4.660 0.056 -0.246 0.312 118 W C -1.450 175.168 176.519 0.166 0.000 1.060 118 W CA -1.092 56.308 57.345 0.092 0.000 1.221 118 W CB 2.198 31.707 29.460 0.082 0.000 1.281 118 W HN 0.373 8.853 8.180 0.500 0.000 0.456 119 D N 4.419 125.005 120.400 0.309 0.000 2.629 119 D HA 0.632 5.634 4.640 0.310 -0.176 0.250 119 D C -1.890 174.575 176.300 0.276 0.000 1.126 119 D CA -0.493 53.666 54.000 0.266 0.000 0.852 119 D CB 3.979 44.860 40.800 0.135 0.000 1.335 119 D HN 0.234 8.695 8.370 0.151 0.000 0.518 120 V N 3.431 123.514 119.914 0.281 0.000 2.711 120 V HA 0.692 5.125 4.120 0.027 -0.297 0.304 120 V C -2.586 173.564 176.094 0.093 0.000 1.097 120 V CA -2.170 60.211 62.300 0.135 0.000 0.906 120 V CB 4.264 36.180 31.823 0.155 0.000 1.015 120 V HN 0.407 8.802 8.190 0.341 0.000 0.427 121 K N 7.767 128.161 120.400 -0.010 0.000 2.143 121 K HA 0.193 4.555 4.320 0.071 0.000 0.272 121 K C -0.367 176.213 176.600 -0.034 0.000 1.001 121 K CA -0.329 55.962 56.287 0.008 0.000 0.915 121 K CB 1.209 33.703 32.500 -0.011 0.000 1.047 121 K HN 0.444 8.558 8.250 -0.079 0.088 0.458 122 L N 4.130 125.355 121.223 0.004 0.000 2.577 122 L HA 0.277 4.583 4.340 -0.056 0.000 0.225 122 L C 0.573 177.431 176.870 -0.020 0.000 1.053 122 L CA 0.531 55.358 54.840 -0.022 0.000 0.866 122 L CB 1.046 43.105 42.059 -0.000 0.000 1.132 122 L HN 0.443 8.699 8.230 0.043 0.000 0.486 123 T N -4.261 110.291 114.554 -0.004 0.000 2.754 123 T HA 0.170 4.511 4.350 -0.014 0.000 0.296 123 T C -1.334 173.368 174.700 0.003 0.000 1.205 123 T CA -1.377 60.719 62.100 -0.007 0.000 1.009 123 T CB 2.168 71.029 68.868 -0.011 0.000 1.368 123 T HN -0.632 7.616 8.240 0.013 0.000 0.509 124 D N 0.020 120.422 120.400 0.003 0.000 3.085 124 D HA 0.086 4.732 4.640 0.009 0.000 0.243 124 D C -1.108 175.203 176.300 0.019 0.000 1.232 124 D CA 1.032 55.038 54.000 0.009 0.000 0.913 124 D CB -1.199 39.605 40.800 0.006 0.000 1.108 124 D HN 0.304 8.674 8.370 -0.001 0.000 0.468 125 D N -3.081 117.336 120.400 0.028 0.000 1.412 125 D HA 0.033 4.699 4.640 0.043 0.000 0.786 125 D C -1.741 174.605 176.300 0.078 0.000 0.571 125 D CA 1.349 55.376 54.000 0.044 0.000 1.290 125 D CB 2.123 42.944 40.800 0.034 0.000 1.180 125 D HN -0.314 7.988 8.370 0.028 0.085 0.439 126 L N 0.117 121.382 121.223 0.070 0.000 2.325 126 L HA 0.192 4.651 4.340 0.197 0.000 0.279 126 L C -1.070 175.862 176.870 0.104 0.000 1.054 126 L CA -0.080 54.825 54.840 0.108 0.000 0.804 126 L CB 1.386 43.458 42.059 0.022 0.000 1.200 126 L HN -0.656 7.598 8.230 0.040 0.000 0.436 127 R N -0.535 120.044 120.500 0.132 0.000 2.670 127 R HA 0.291 4.708 4.340 0.127 0.000 0.289 127 R C -2.154 174.241 176.300 0.159 0.000 0.965 127 R CA -0.988 55.188 56.100 0.126 0.000 0.899 127 R CB 4.012 34.361 30.300 0.083 0.000 1.173 127 R HN -0.104 8.267 8.270 0.167 0.000 0.456 128 F N 2.768 122.751 119.950 0.055 0.000 2.482 128 F HA 0.529 5.206 4.527 0.070 -0.108 0.331 128 F C -1.795 174.060 175.800 0.093 0.000 1.115 128 F CA -1.180 56.862 58.000 0.070 0.000 0.955 128 F CB 3.807 42.846 39.000 0.066 0.000 1.136 128 F HN -0.121 8.346 8.300 0.278 0.000 0.452 129 N N 4.640 123.342 118.700 0.003 0.000 2.312 129 N HA 0.916 5.977 4.740 0.250 -0.171 0.296 129 N C -0.757 174.847 175.510 0.156 0.000 1.193 129 N CA -1.528 51.592 53.050 0.118 0.000 0.773 129 N CB 4.781 43.258 38.487 -0.017 0.000 1.435 129 N HN 0.681 8.784 8.380 -0.462 0.000 0.484 130 G N -0.791 108.172 108.800 0.273 0.000 2.618 130 G HA2 0.233 4.538 3.960 0.189 0.000 0.280 130 G HA3 0.233 4.387 3.960 0.323 0.000 0.280 130 G C -3.006 172.125 174.900 0.385 0.000 1.458 130 G CA 0.307 45.579 45.100 0.287 0.000 1.224 130 G HN 0.165 8.632 8.290 0.296 0.000 0.576 131 W N 5.953 127.260 121.300 0.012 0.000 2.475 131 W HA 0.496 5.166 4.660 0.017 0.000 0.320 131 W C -2.385 174.097 176.519 -0.062 0.000 1.022 131 W CA -1.647 55.689 57.345 -0.014 0.000 1.240 131 W CB 2.774 32.219 29.460 -0.025 0.000 1.328 131 W HN 1.002 9.234 8.180 0.268 0.108 0.439 132 L N 6.954 128.127 121.223 -0.083 0.000 2.272 132 L HA 0.374 4.865 4.340 -0.089 -0.205 0.284 132 L C -0.505 176.226 176.870 -0.232 0.000 1.045 132 L CA -0.834 53.928 54.840 -0.130 0.000 0.842 132 L CB 1.094 43.091 42.059 -0.103 0.000 1.224 132 L HN 0.512 8.654 8.230 -0.146 0.000 0.430 133 S N 6.770 122.374 115.700 -0.158 0.000 2.430 133 S HA 0.169 4.550 4.470 -0.328 -0.108 0.282 133 S C -1.073 173.489 174.600 -0.064 0.000 1.186 133 S CA 0.403 58.522 58.200 -0.135 0.000 1.060 133 S CB 0.219 63.486 63.200 0.113 0.000 0.966 133 S HN 0.943 9.229 8.310 -0.108 -0.040 0.501 134 M N 8.240 127.714 119.600 -0.210 0.000 2.125 134 M HA 0.387 5.080 4.480 -0.005 -0.216 0.321 134 M C -1.403 174.750 176.300 -0.244 0.000 0.983 134 M CA -0.967 54.252 55.300 -0.136 0.000 0.934 134 M CB 2.726 35.233 32.600 -0.156 0.000 1.542 134 M HN -0.006 8.072 8.290 -0.353 0.000 0.424 135 Y N 3.355 123.603 120.300 -0.088 0.000 2.352 135 Y HA 0.654 5.329 4.550 -0.188 -0.237 0.339 135 Y C -0.851 174.964 175.900 -0.142 0.000 0.992 135 Y CA -1.532 56.465 58.100 -0.172 0.000 1.100 135 Y CB 2.863 41.178 38.460 -0.242 0.000 1.192 135 Y HN -0.069 8.338 8.280 0.212 0.000 0.458 136 K N 3.362 123.747 120.400 -0.026 0.000 2.604 136 K HA 0.518 4.948 4.320 0.183 0.000 0.247 136 K C -1.174 175.494 176.600 0.112 0.000 0.956 136 K CA -1.341 55.019 56.287 0.121 0.000 0.896 136 K CB 2.696 35.319 32.500 0.206 0.000 1.131 136 K HN -0.175 8.023 8.250 -0.087 0.000 0.440 137 F N 4.553 124.629 119.950 0.209 0.000 2.471 137 F HA 0.038 4.641 4.527 0.127 0.000 0.353 137 F C -0.011 175.896 175.800 0.178 0.000 1.113 137 F CA 0.662 58.760 58.000 0.162 0.000 1.262 137 F CB 0.622 39.711 39.000 0.149 0.000 1.146 137 F HN 0.482 9.098 8.300 0.526 0.000 0.578 138 A N 3.343 126.329 122.820 0.275 0.000 2.517 138 A HA 0.231 4.705 4.320 0.255 0.000 0.297 138 A C -3.091 174.570 177.584 0.128 0.000 1.050 138 A CA -0.175 51.994 52.037 0.220 0.000 0.694 138 A CB 3.088 22.237 19.000 0.248 0.000 1.277 138 A HN 0.870 9.149 8.150 0.215 0.000 0.400 139 N N 0.196 118.972 118.700 0.128 0.000 3.316 139 N HA 0.252 5.028 4.740 0.060 0.000 0.300 139 N C -1.438 174.123 175.510 0.085 0.000 1.567 139 N CA -0.742 52.363 53.050 0.091 0.000 0.821 139 N CB 2.742 41.298 38.487 0.116 0.000 1.748 139 N HN -0.049 8.421 8.380 0.150 0.000 0.603 140 D N -0.447 119.995 120.400 0.070 0.000 2.460 140 D HA 0.325 4.999 4.640 0.058 0.000 0.229 140 D C -0.331 175.999 176.300 0.050 0.000 1.170 140 D CA 1.122 55.155 54.000 0.055 0.000 0.827 140 D CB 0.295 41.118 40.800 0.038 0.000 0.973 140 D HN 0.243 8.657 8.370 0.074 0.000 0.496 141 L N -2.608 118.650 121.223 0.058 0.000 1.268 141 L HA -0.051 4.309 4.340 0.033 0.000 0.077 141 L C -1.283 175.609 176.870 0.037 0.000 1.481 141 L CA 0.872 55.736 54.840 0.039 0.000 1.138 141 L CB 0.858 42.933 42.059 0.027 0.000 2.323 141 L HN -0.586 7.587 8.230 0.073 0.101 0.449 142 N N -1.487 117.241 118.700 0.047 0.000 2.482 142 N HA -0.182 4.582 4.740 0.041 0.000 0.288 142 N C -0.314 175.176 175.510 -0.032 0.000 1.319 142 N CA 0.520 53.587 53.050 0.027 0.000 0.671 142 N CB 0.221 38.742 38.487 0.056 0.000 0.911 142 N HN -0.017 8.404 8.380 0.068 0.000 0.531 143 T N 1.326 115.830 114.554 -0.084 0.000 2.652 143 T HA -0.270 4.031 4.350 -0.081 0.000 0.267 143 T C 0.530 175.151 174.700 -0.133 0.000 1.039 143 T CA 2.499 64.529 62.100 -0.117 0.000 1.153 143 T CB 0.225 68.988 68.868 -0.175 0.000 0.863 143 T HN 0.171 8.358 8.240 -0.088 0.000 0.428 144 T N -2.844 111.589 114.554 -0.201 0.000 3.028 144 T HA 0.014 4.288 4.350 -0.127 0.000 0.250 144 T C 0.776 175.379 174.700 -0.163 0.000 0.979 144 T CA 0.396 62.379 62.100 -0.196 0.000 1.004 144 T CB 1.312 70.007 68.868 -0.287 0.000 1.120 144 T HN -0.793 7.293 8.240 -0.258 0.000 0.482 145 G N 1.255 109.929 108.800 -0.210 0.000 2.225 145 G HA2 -0.359 3.734 3.960 -0.056 0.000 0.254 145 G HA3 -0.359 3.584 3.960 -0.029 0.000 0.254 145 G C -0.558 174.282 174.900 -0.100 0.000 0.988 145 G CA 0.030 45.068 45.100 -0.102 0.000 0.625 145 G HN -0.197 7.916 8.290 -0.295 0.000 0.527 146 Y N -0.187 120.036 120.300 -0.129 0.000 2.730 146 Y HA -0.624 3.857 4.550 -0.115 0.000 0.479 146 Y C -0.038 175.784 175.900 -0.132 0.000 1.088 146 Y CA 2.235 60.238 58.100 -0.162 0.000 2.941 146 Y CB -1.541 36.755 38.460 -0.274 0.000 1.051 146 Y HN -0.612 7.391 8.280 -0.303 0.096 0.592 147 A N -1.295 121.526 122.820 0.003 0.000 2.352 147 A HA 0.069 4.434 4.320 0.075 0.000 0.299 147 A C -2.100 175.549 177.584 0.109 0.000 1.160 147 A CA -1.007 51.058 52.037 0.046 0.000 0.933 147 A CB 2.039 21.072 19.000 0.054 0.000 1.387 147 A HN -0.208 7.833 8.150 -0.141 0.024 0.487 148 D N -2.262 118.243 120.400 0.175 0.000 3.137 148 D HA 0.270 5.014 4.640 0.174 0.000 0.236 148 D C -0.200 176.234 176.300 0.223 0.000 1.557 148 D CA 1.171 55.284 54.000 0.187 0.000 1.305 148 D CB 2.623 43.523 40.800 0.167 0.000 1.065 148 D HN 0.197 8.679 8.370 0.186 0.000 0.290 149 T N 2.309 116.983 114.554 0.200 0.000 2.840 149 T HA 0.303 4.755 4.350 0.170 0.000 0.287 149 T C -1.352 173.451 174.700 0.171 0.000 0.991 149 T CA -0.197 61.994 62.100 0.152 0.000 0.964 149 T CB 1.492 70.383 68.868 0.038 0.000 0.954 149 T HN -0.369 7.999 8.240 0.213 0.000 0.438 150 R N 7.649 128.265 120.500 0.194 0.000 2.312 150 R HA 0.300 4.760 4.340 0.201 0.000 0.311 150 R C -2.297 174.084 176.300 0.135 0.000 1.004 150 R CA -0.781 55.441 56.100 0.202 0.000 0.902 150 R CB 1.958 32.425 30.300 0.279 0.000 1.073 150 R HN 0.052 8.442 8.270 0.200 0.000 0.457 151 V N 5.808 125.793 119.914 0.119 0.000 2.567 151 V HA 0.407 4.685 4.120 0.044 -0.131 0.298 151 V C -2.650 173.496 176.094 0.087 0.000 1.047 151 V CA -0.615 61.724 62.300 0.064 0.000 0.880 151 V CB 3.453 35.279 31.823 0.004 0.000 1.009 151 V HN 0.680 8.957 8.190 0.144 0.000 0.429 152 E N 8.918 129.162 120.200 0.073 0.000 2.218 152 E HA 0.652 5.263 4.350 0.085 -0.210 0.263 152 E C -1.859 174.699 176.600 -0.070 0.000 0.879 152 E CA -1.541 54.894 56.400 0.059 0.000 0.762 152 E CB 4.012 33.825 29.700 0.188 0.000 1.166 152 E HN 0.570 8.858 8.360 0.053 0.104 0.415 153 T N 5.118 119.626 114.554 -0.077 0.000 2.837 153 T HA 0.247 4.549 4.350 -0.080 0.000 0.285 153 T C -1.116 173.479 174.700 -0.175 0.000 0.984 153 T CA -1.111 60.935 62.100 -0.090 0.000 1.049 153 T CB 1.120 69.969 68.868 -0.032 0.000 0.947 153 T HN -0.017 8.210 8.240 -0.021 0.000 0.472 154 E N 8.536 128.661 120.200 -0.125 0.000 2.244 154 E HA 0.578 5.095 4.350 -0.161 -0.263 0.260 154 E C -1.203 175.397 176.600 0.001 0.000 0.884 154 E CA -1.110 55.212 56.400 -0.130 0.000 0.777 154 E CB 3.606 33.191 29.700 -0.191 0.000 1.197 154 E HN 0.065 8.400 8.360 -0.042 0.000 0.416 155 T N 8.048 122.609 114.554 0.011 0.000 2.853 155 T HA 0.457 4.948 4.350 -0.059 -0.176 0.317 155 T C -0.224 174.388 174.700 -0.146 0.000 1.059 155 T CA -0.504 61.557 62.100 -0.066 0.000 0.954 155 T CB 0.383 69.228 68.868 -0.039 0.000 0.994 155 T HN -0.157 8.114 8.240 0.052 0.000 0.479 156 G N 5.295 113.976 108.800 -0.198 0.000 2.348 156 G HA2 0.446 4.544 3.960 -0.107 0.000 0.312 156 G HA3 0.446 4.327 3.960 -0.132 0.000 0.312 156 G C -3.220 171.519 174.900 -0.268 0.000 1.126 156 G CA -1.101 43.895 45.100 -0.173 0.000 0.865 156 G HN 0.211 8.304 8.290 -0.167 0.097 0.474 157 L N 3.243 124.381 121.223 -0.143 0.000 2.404 157 L HA 0.675 5.151 4.340 -0.127 -0.212 0.272 157 L C -1.981 174.965 176.870 0.127 0.000 0.980 157 L CA -0.559 54.248 54.840 -0.056 0.000 0.836 157 L CB 3.848 45.879 42.059 -0.047 0.000 1.238 157 L HN -0.304 7.886 8.230 -0.066 0.000 0.408 158 Q N 7.650 127.516 119.800 0.111 0.000 2.368 158 Q HA 0.593 5.158 4.340 -0.035 -0.247 0.263 158 Q C -1.552 174.534 176.000 0.143 0.000 1.009 158 Q CA -2.045 53.792 55.803 0.057 0.000 0.818 158 Q CB 2.495 31.231 28.738 -0.003 0.000 1.239 158 Q HN -0.017 8.297 8.270 0.073 0.000 0.464 159 Y N 2.963 123.249 120.300 -0.024 0.000 2.373 159 Y HA 0.856 5.593 4.550 -0.023 -0.201 0.336 159 Y C -1.350 174.532 175.900 -0.031 0.000 0.979 159 Y CA -3.468 54.612 58.100 -0.033 0.000 1.080 159 Y CB 2.197 40.624 38.460 -0.055 0.000 1.190 159 Y HN -0.049 7.938 8.280 -0.488 0.000 0.446 160 T N 3.968 118.537 114.554 0.025 0.000 2.837 160 T HA 0.372 4.849 4.350 -0.029 -0.145 0.285 160 T C 1.170 175.919 174.700 0.080 0.000 0.984 160 T CA -2.809 59.302 62.100 0.019 0.000 1.049 160 T CB 1.461 70.345 68.868 0.027 0.000 0.947 160 T HN -0.253 8.029 8.240 0.069 0.000 0.472 161 F N 9.238 129.199 119.950 0.017 0.000 2.063 161 F HA -0.344 4.228 4.527 0.074 0.000 0.298 161 F C 0.546 176.366 175.800 0.033 0.000 1.109 161 F CA 3.471 61.495 58.000 0.040 0.000 1.212 161 F CB 0.524 39.536 39.000 0.019 0.000 0.973 161 F HN -0.007 8.453 8.300 0.267 0.000 0.480 162 N N -3.533 115.304 118.700 0.229 0.000 2.620 162 N HA -0.051 4.757 4.740 0.114 0.000 0.277 162 N C -1.237 174.320 175.510 0.077 0.000 1.726 162 N CA -0.244 52.886 53.050 0.133 0.000 0.840 162 N CB 0.027 38.589 38.487 0.125 0.000 1.379 162 N HN -0.538 7.975 8.380 0.223 0.000 0.506 163 E N -0.025 120.213 120.200 0.063 0.000 2.689 163 E HA -0.406 3.960 4.350 0.027 0.000 0.165 163 E C -1.900 174.712 176.600 0.021 0.000 1.609 163 E CA 1.176 57.596 56.400 0.033 0.000 0.674 163 E CB -0.911 28.803 29.700 0.024 0.000 1.103 163 E HN 0.156 8.559 8.360 0.072 0.000 0.373 164 T N -0.694 113.870 114.554 0.017 0.000 3.669 164 T HA -0.002 4.337 4.350 -0.018 0.000 0.170 164 T C -1.366 173.327 174.700 -0.012 0.000 0.559 164 T CA 1.343 63.442 62.100 -0.002 0.000 0.900 164 T CB 1.030 69.900 68.868 0.005 0.000 0.716 164 T HN 0.334 8.588 8.240 0.022 0.000 0.283 165 V N 1.691 121.609 119.914 0.007 0.000 2.333 165 V HA 0.368 4.468 4.120 -0.034 0.000 0.274 165 V C -1.622 174.459 176.094 -0.020 0.000 1.028 165 V CA -2.309 59.985 62.300 -0.010 0.000 0.851 165 V CB -0.052 31.769 31.823 -0.004 0.000 1.000 165 V HN -0.284 7.928 8.190 0.035 0.000 0.456 166 A N 7.068 129.843 122.820 -0.074 0.000 2.337 166 A HA 0.602 4.936 4.320 -0.198 -0.132 0.329 166 A C -1.585 175.852 177.584 -0.244 0.000 1.146 166 A CA -2.081 49.858 52.037 -0.164 0.000 0.800 166 A CB 2.757 21.689 19.000 -0.114 0.000 1.220 166 A HN 0.002 8.113 8.150 -0.066 0.000 0.472 167 L N 2.385 123.306 121.223 -0.502 0.000 2.276 167 L HA 0.170 4.447 4.340 -0.248 -0.086 0.286 167 L C -0.440 176.216 176.870 -0.356 0.000 1.061 167 L CA -0.336 54.237 54.840 -0.445 0.000 0.807 167 L CB 1.042 42.781 42.059 -0.533 0.000 1.177 167 L HN 0.003 7.759 8.230 -0.790 0.000 0.429 168 R N 4.440 124.873 120.500 -0.112 0.000 2.346 168 R HA 0.568 5.139 4.340 -0.029 -0.249 0.311 168 R C -1.462 174.845 176.300 0.012 0.000 0.983 168 R CA -1.210 54.879 56.100 -0.019 0.000 0.880 168 R CB 2.424 32.749 30.300 0.042 0.000 1.100 168 R HN 0.449 8.538 8.270 -0.066 0.141 0.453 169 V N 1.611 121.545 119.914 0.034 0.000 2.398 169 V HA 0.626 4.917 4.120 -0.003 -0.173 0.282 169 V C -1.772 174.338 176.094 0.028 0.000 1.014 169 V CA -2.374 59.951 62.300 0.042 0.000 0.838 169 V CB 0.636 32.538 31.823 0.132 0.000 1.018 169 V HN -0.117 8.096 8.190 0.040 0.000 0.432 170 N N 7.405 126.097 118.700 -0.014 0.000 2.419 170 N HA 0.293 5.193 4.740 0.022 -0.147 0.277 170 N C -2.187 173.339 175.510 0.027 0.000 1.006 170 N CA -1.473 51.586 53.050 0.016 0.000 0.923 170 N CB 3.363 41.859 38.487 0.016 0.000 1.140 170 N HN -0.076 8.272 8.380 -0.053 0.000 0.488 171 Y N 4.350 124.657 120.300 0.012 0.000 2.369 171 Y HA 0.094 4.694 4.550 0.083 0.000 0.337 171 Y C -0.775 175.161 175.900 0.061 0.000 0.961 171 Y CA -0.356 57.774 58.100 0.050 0.000 1.186 171 Y CB 1.243 39.717 38.460 0.023 0.000 1.139 171 Y HN -0.288 8.108 8.280 0.193 0.000 0.494 172 Y N 5.451 125.815 120.300 0.106 0.000 2.304 172 Y HA 0.294 5.077 4.550 0.125 -0.158 0.328 172 Y C -1.000 174.982 175.900 0.137 0.000 1.123 172 Y CA 0.160 58.327 58.100 0.112 0.000 1.218 172 Y CB 2.363 40.865 38.460 0.069 0.000 1.207 172 Y HN 0.871 9.291 8.280 0.233 0.000 0.495 173 L N 5.362 126.716 121.223 0.217 0.000 2.529 173 L HA 0.337 4.926 4.340 0.215 -0.120 0.258 173 L C -2.365 174.614 176.870 0.183 0.000 1.032 173 L CA -0.431 54.523 54.840 0.189 0.000 0.899 173 L CB 2.431 44.564 42.059 0.123 0.000 1.174 173 L HN 0.156 8.423 8.230 0.062 0.000 0.458 174 E N 3.398 123.730 120.200 0.221 0.000 2.191 174 E HA 0.603 5.066 4.350 0.188 0.000 0.278 174 E C -1.901 174.794 176.600 0.159 0.000 0.972 174 E CA -2.059 54.460 56.400 0.197 0.000 0.804 174 E CB 3.059 32.886 29.700 0.212 0.000 1.110 174 E HN 0.447 8.946 8.360 0.231 0.000 0.394 175 R N 4.120 124.714 120.500 0.157 0.000 2.604 175 R HA 0.413 4.837 4.340 0.140 0.000 0.281 175 R C -0.705 175.706 176.300 0.185 0.000 1.020 175 R CA -0.890 55.304 56.100 0.157 0.000 0.899 175 R CB 3.672 34.067 30.300 0.159 0.000 1.205 175 R HN -0.284 8.082 8.270 0.161 0.000 0.450 176 G N 3.889 112.780 108.800 0.151 0.000 2.503 176 G HA2 0.026 4.090 3.960 0.172 0.000 0.257 176 G HA3 0.026 4.047 3.960 0.101 0.000 0.257 176 G C -1.758 173.253 174.900 0.185 0.000 1.214 176 G CA 0.000 45.190 45.100 0.150 0.000 0.839 176 G HN 0.291 8.655 8.290 0.123 0.000 0.559 177 F N 0.909 120.895 119.950 0.060 0.000 2.665 177 F HA 0.058 4.608 4.527 0.040 0.000 0.308 177 F C -1.821 174.010 175.800 0.052 0.000 1.112 177 F CA 0.183 58.212 58.000 0.050 0.000 0.972 177 F CB 3.815 42.844 39.000 0.047 0.000 1.295 177 F HN -0.361 8.085 8.300 0.244 0.000 0.440 178 N N 3.031 121.868 118.700 0.229 0.000 2.416 178 N HA 0.441 5.303 4.740 0.203 0.000 0.276 178 N C -1.500 174.134 175.510 0.206 0.000 1.261 178 N CA -0.307 52.852 53.050 0.181 0.000 0.790 178 N CB 2.474 41.001 38.487 0.066 0.000 1.554 178 N HN 0.247 8.628 8.380 0.002 0.000 0.481 179 M N 1.930 121.620 119.600 0.149 0.000 2.723 179 M HA -0.002 4.574 4.480 0.160 0.000 0.270 179 M C -1.527 174.818 176.300 0.074 0.000 1.282 179 M CA -0.095 55.279 55.300 0.123 0.000 0.995 179 M CB -0.088 32.570 32.600 0.098 0.000 1.430 179 M HN 0.105 8.685 8.290 0.126 -0.214 0.477 180 D N 0.086 120.520 120.400 0.055 0.000 2.349 180 D HA -0.096 4.561 4.640 0.028 0.000 0.239 180 D C -0.255 176.060 176.300 0.026 0.000 1.315 180 D CA 0.326 54.343 54.000 0.029 0.000 0.937 180 D CB 0.962 41.768 40.800 0.010 0.000 1.133 180 D HN -0.726 7.580 8.370 0.058 0.099 0.489 181 D N -0.906 119.503 120.400 0.015 0.000 2.214 181 D HA -0.004 4.647 4.640 0.019 0.000 0.217 181 D C -0.168 176.136 176.300 0.007 0.000 0.973 181 D CA 1.877 55.885 54.000 0.013 0.000 0.880 181 D CB 0.532 41.338 40.800 0.009 0.000 1.031 181 D HN 0.096 8.473 8.370 0.011 0.000 0.468 182 S N -3.212 112.488 115.700 -0.000 0.000 2.779 182 S HA 0.156 4.620 4.470 -0.010 0.000 0.235 182 S C -1.706 172.887 174.600 -0.012 0.000 0.764 182 S CA 0.557 58.753 58.200 -0.007 0.000 1.050 182 S CB 1.583 64.781 63.200 -0.004 0.000 1.485 182 S HN 0.013 8.323 8.310 -0.000 0.000 0.485 183 R N 0.349 120.840 120.500 -0.015 0.000 2.513 183 R HA 0.291 4.622 4.340 -0.016 0.000 0.283 183 R C -1.222 175.061 176.300 -0.028 0.000 1.535 183 R CA -0.075 56.015 56.100 -0.016 0.000 1.315 183 R CB 0.017 30.312 30.300 -0.008 0.000 1.163 183 R HN -0.303 7.959 8.270 -0.013 0.000 0.573 184 N N 1.368 120.044 118.700 -0.040 0.000 2.407 184 N HA -0.064 4.637 4.740 -0.066 0.000 0.182 184 N C 0.384 175.871 175.510 -0.038 0.000 1.079 184 N CA 0.381 53.394 53.050 -0.062 0.000 0.882 184 N CB 1.341 39.766 38.487 -0.103 0.000 1.106 184 N HN 0.408 8.767 8.380 -0.036 0.000 0.461 185 N N -1.852 116.834 118.700 -0.023 0.000 3.540 185 N HA -0.313 4.426 4.740 -0.002 0.000 0.224 185 N C -0.216 175.294 175.510 0.001 0.000 0.162 185 N CA 1.515 54.562 53.050 -0.005 0.000 3.550 185 N CB -0.380 38.110 38.487 0.006 0.000 1.144 185 N HN 0.255 8.620 8.380 -0.024 0.000 0.272 186 G N 0.198 109.001 108.800 0.006 0.000 3.265 186 G HA2 -0.111 3.834 3.960 -0.025 0.000 0.236 186 G HA3 -0.111 3.877 3.960 0.047 0.000 0.236 186 G C -1.596 173.348 174.900 0.072 0.000 3.888 186 G CA -0.216 44.896 45.100 0.020 0.000 0.423 186 G HN -0.072 8.175 8.290 0.002 0.044 0.303 187 E N 1.033 121.243 120.200 0.018 0.000 2.416 187 E HA 0.166 4.591 4.350 0.125 0.000 0.254 187 E C -0.819 175.847 176.600 0.111 0.000 1.241 187 E CA 0.239 56.681 56.400 0.070 0.000 0.969 187 E CB 0.903 30.600 29.700 -0.006 0.000 0.999 187 E HN 0.023 8.358 8.360 -0.042 0.000 0.481 188 F N -0.931 119.018 119.950 -0.002 0.000 2.588 188 F HA 0.191 4.723 4.527 0.010 0.000 0.314 188 F C -1.380 174.437 175.800 0.028 0.000 1.069 188 F CA -0.984 57.023 58.000 0.012 0.000 0.931 188 F CB 2.356 41.363 39.000 0.013 0.000 1.260 188 F HN -0.248 8.192 8.300 0.234 0.000 0.465 189 S N 2.795 118.586 115.700 0.153 0.000 2.429 189 S HA 0.310 4.860 4.470 0.133 0.000 0.302 189 S C -0.359 174.353 174.600 0.187 0.000 1.115 189 S CA -0.817 57.465 58.200 0.136 0.000 1.095 189 S CB 1.218 64.457 63.200 0.065 0.000 0.987 189 S HN 0.071 8.403 8.310 0.038 0.000 0.474 190 T N 7.243 121.894 114.554 0.163 0.000 2.767 190 T HA 0.251 4.691 4.350 0.149 0.000 0.284 190 T C -1.577 173.211 174.700 0.148 0.000 0.973 190 T CA -0.134 62.052 62.100 0.144 0.000 0.996 190 T CB 0.957 69.892 68.868 0.111 0.000 0.927 190 T HN 0.291 8.622 8.240 0.152 0.000 0.456 191 Q N 5.283 125.167 119.800 0.141 0.000 2.341 191 Q HA 0.487 5.091 4.340 0.200 -0.145 0.268 191 Q C -1.058 175.016 176.000 0.124 0.000 1.013 191 Q CA -1.871 54.032 55.803 0.166 0.000 0.798 191 Q CB 1.687 30.537 28.738 0.186 0.000 1.253 191 Q HN 0.368 8.714 8.270 0.126 0.000 0.457 192 E N 4.161 124.441 120.200 0.134 0.000 2.179 192 E HA 0.321 4.682 4.350 0.018 0.000 0.275 192 E C -1.500 175.092 176.600 -0.014 0.000 0.945 192 E CA -1.436 54.993 56.400 0.050 0.000 0.792 192 E CB 2.516 32.216 29.700 0.001 0.000 1.125 192 E HN -0.088 8.402 8.360 0.217 0.000 0.397 193 I N 1.902 122.400 120.570 -0.121 0.000 2.566 193 I HA 0.132 3.985 4.170 -0.528 0.000 0.303 193 I C 0.066 176.075 176.117 -0.180 0.000 0.983 193 I CA -0.374 60.743 61.300 -0.304 0.000 1.235 193 I CB 1.646 39.446 38.000 -0.334 0.000 1.386 193 I HN 0.333 8.496 8.210 -0.078 0.000 0.494 194 R N 1.663 122.023 120.500 -0.233 0.000 2.512 194 R HA 0.330 4.531 4.340 -0.232 0.000 0.291 194 R C -2.162 173.996 176.300 -0.237 0.000 1.097 194 R CA -0.865 55.113 56.100 -0.203 0.000 0.940 194 R CB 3.246 33.498 30.300 -0.080 0.000 1.198 194 R HN -0.084 7.975 8.270 -0.351 0.000 0.429 195 A N 5.586 128.215 122.820 -0.318 0.000 2.330 195 A HA 0.712 5.067 4.320 -0.116 -0.105 0.327 195 A C -2.422 175.073 177.584 -0.148 0.000 1.155 195 A CA -1.631 50.288 52.037 -0.196 0.000 0.803 195 A CB 3.506 22.413 19.000 -0.156 0.000 1.208 195 A HN 0.830 8.704 8.150 -0.460 0.000 0.477 196 Y N 1.195 121.353 120.300 -0.237 0.000 2.705 196 Y HA 0.536 5.105 4.550 -0.201 -0.140 0.332 196 Y C -1.525 174.292 175.900 -0.137 0.000 1.221 196 Y CA -0.559 57.426 58.100 -0.191 0.000 1.059 196 Y CB 5.514 43.873 38.460 -0.167 0.000 1.298 196 Y HN 0.756 9.035 8.280 -0.001 0.000 0.459 197 L N -5.202 115.864 121.223 -0.262 0.000 2.691 197 L HA 0.538 4.980 4.340 -0.123 -0.175 0.239 197 L C -2.482 174.269 176.870 -0.198 0.000 1.062 197 L CA -1.063 53.665 54.840 -0.188 0.000 1.002 197 L CB 0.967 42.920 42.059 -0.177 0.000 1.232 197 L HN 0.179 7.987 8.230 -0.703 0.000 0.542 198 P HA 0.097 4.484 4.420 -0.054 0.000 0.269 198 P C -1.429 175.839 177.300 -0.053 0.000 1.252 198 P CA -0.146 62.936 63.100 -0.031 0.000 0.780 198 P CB 0.309 32.051 31.700 0.070 0.000 0.829 199 L N 5.135 126.322 121.223 -0.060 0.000 2.322 199 L HA 0.406 4.713 4.340 -0.054 0.000 0.269 199 L C -0.521 176.321 176.870 -0.046 0.000 1.012 199 L CA -0.684 54.124 54.840 -0.054 0.000 0.815 199 L CB 2.707 44.734 42.059 -0.054 0.000 1.295 199 L HN 0.202 8.393 8.230 -0.066 0.000 0.438 200 T N 0.854 115.377 114.554 -0.051 0.000 2.896 200 T HA 0.755 5.229 4.350 -0.040 -0.147 0.297 200 T C -0.954 173.728 174.700 -0.030 0.000 1.108 200 T CA -0.742 61.326 62.100 -0.054 0.000 1.004 200 T CB 3.070 71.874 68.868 -0.108 0.000 1.159 200 T HN 0.015 8.226 8.240 -0.049 0.000 0.499 201 L N 1.824 123.044 121.223 -0.005 0.000 2.529 201 L HA 0.312 4.649 4.340 -0.004 0.000 0.258 201 L C 0.132 177.016 176.870 0.023 0.000 1.032 201 L CA -0.409 54.439 54.840 0.014 0.000 0.899 201 L CB 0.322 42.403 42.059 0.035 0.000 1.174 201 L HN 0.923 9.046 8.230 0.003 0.109 0.458 202 G N 4.910 113.704 108.800 -0.009 0.000 4.862 202 G HA2 -0.554 3.392 3.960 -0.023 0.000 0.344 202 G HA3 -0.554 3.403 3.960 -0.004 0.000 0.344 202 G C 0.232 175.105 174.900 -0.044 0.000 1.365 202 G CA 1.940 47.029 45.100 -0.018 0.000 1.066 202 G HN 0.198 8.476 8.290 -0.019 0.000 0.808 203 N N 5.102 123.760 118.700 -0.070 0.000 2.433 203 N HA 0.185 4.869 4.740 -0.094 0.000 0.270 203 N C -2.378 172.950 175.510 -0.303 0.000 1.354 203 N CA -0.475 52.484 53.050 -0.151 0.000 0.889 203 N CB 1.742 40.127 38.487 -0.169 0.000 1.285 203 N HN -0.069 8.270 8.380 -0.040 0.017 0.503 204 H N -1.741 117.298 119.070 -0.051 0.000 2.865 204 H HA 0.347 4.813 4.556 -0.150 0.000 0.362 204 H C -1.917 173.346 175.328 -0.110 0.000 1.114 204 H CA -0.509 55.470 56.048 -0.115 0.000 1.208 204 H CB 4.050 33.733 29.762 -0.132 0.000 1.727 204 H HN -0.537 7.575 8.280 -0.002 0.167 0.534 205 S N 3.201 118.918 115.700 0.029 0.000 2.482 205 S HA 0.622 5.217 4.470 -0.004 -0.128 0.303 205 S C -2.325 172.301 174.600 0.043 0.000 1.091 205 S CA -0.385 57.831 58.200 0.026 0.000 1.057 205 S CB 2.177 65.430 63.200 0.088 0.000 1.031 205 S HN 0.827 9.128 8.310 -0.014 0.000 0.485 206 V N 6.171 126.107 119.914 0.037 0.000 2.559 206 V HA 0.584 4.884 4.120 0.056 -0.147 0.289 206 V C -2.393 173.685 176.094 -0.028 0.000 1.036 206 V CA -1.746 60.571 62.300 0.029 0.000 0.887 206 V CB 3.543 35.388 31.823 0.037 0.000 1.022 206 V HN 1.032 9.126 8.190 0.013 0.104 0.442 207 T N 7.302 121.849 114.554 -0.012 0.000 2.912 207 T HA 0.686 4.883 4.350 -0.255 0.000 0.326 207 T C -1.874 172.632 174.700 -0.323 0.000 1.080 207 T CA -3.491 58.508 62.100 -0.168 0.000 1.000 207 T CB 1.431 70.337 68.868 0.063 0.000 1.008 207 T HN 0.843 9.121 8.240 0.065 0.000 0.473 208 P HA 0.266 4.769 4.420 -0.110 -0.149 0.278 208 P C -2.140 174.915 177.300 -0.408 0.000 1.266 208 P CA -1.103 61.827 63.100 -0.282 0.000 0.807 208 P CB 1.545 33.135 31.700 -0.183 0.000 1.094 209 Y N -0.554 119.683 120.300 -0.105 0.000 2.409 209 Y HA 0.402 5.088 4.550 0.227 0.000 0.343 209 Y C -1.279 174.662 175.900 0.068 0.000 0.973 209 Y CA -1.772 56.396 58.100 0.114 0.000 1.064 209 Y CB 4.089 42.691 38.460 0.237 0.000 1.207 209 Y HN 0.647 8.899 8.280 0.160 0.124 0.452 210 T N 3.194 117.589 114.554 -0.265 0.000 2.883 210 T HA 0.461 4.862 4.350 0.085 0.000 0.301 210 T C -1.228 173.347 174.700 -0.209 0.000 1.158 210 T CA -0.881 61.157 62.100 -0.103 0.000 1.007 210 T CB 2.973 71.789 68.868 -0.086 0.000 1.186 210 T HN 0.615 8.429 8.240 -0.708 0.000 0.499 211 R N 0.161 120.641 120.500 -0.034 0.000 3.892 211 R HA 0.135 4.414 4.340 -0.102 0.000 0.051 211 R C -1.367 174.927 176.300 -0.011 0.000 0.775 211 R CA 0.666 56.748 56.100 -0.030 0.000 2.306 211 R CB 1.561 31.912 30.300 0.083 0.000 1.401 211 R HN 0.418 8.698 8.270 0.017 0.000 0.457 212 I N -3.246 117.339 120.570 0.025 0.000 3.264 212 I HA 0.356 4.516 4.170 -0.017 0.000 0.315 212 I C -1.384 174.738 176.117 0.008 0.000 1.154 212 I CA -1.298 60.004 61.300 0.003 0.000 0.962 212 I CB 2.358 40.358 38.000 0.000 0.000 1.265 212 I HN -0.590 7.659 8.210 0.066 0.000 0.463 213 G N -0.321 108.471 108.800 -0.014 0.000 4.062 213 G HA2 -0.001 3.949 3.960 -0.017 0.000 0.171 213 G HA3 -0.001 3.956 3.960 -0.004 0.000 0.171 213 G C -0.467 174.410 174.900 -0.039 0.000 0.858 213 G CA 0.355 45.445 45.100 -0.017 0.000 0.924 213 G HN 0.169 8.442 8.290 -0.028 0.000 0.359 214 L N 0.252 121.447 121.223 -0.047 0.000 2.251 214 L HA 0.352 4.652 4.340 -0.067 0.000 0.244 214 L C -2.148 174.674 176.870 -0.081 0.000 1.095 214 L CA -0.668 54.135 54.840 -0.062 0.000 0.910 214 L CB 2.381 44.407 42.059 -0.055 0.000 1.516 214 L HN -0.651 7.553 8.230 -0.044 0.000 0.429 215 D N -0.388 119.955 120.400 -0.095 0.000 2.804 215 D HA 0.208 4.758 4.640 -0.150 0.000 0.209 215 D C -1.544 174.671 176.300 -0.141 0.000 1.314 215 D CA -0.385 53.535 54.000 -0.133 0.000 0.894 215 D CB 1.256 41.976 40.800 -0.133 0.000 1.615 215 D HN -0.101 8.218 8.370 -0.085 0.000 0.571 216 R N 1.853 122.240 120.500 -0.189 0.000 2.870 216 R HA 0.430 4.725 4.340 -0.075 0.000 0.262 216 R C -0.764 175.387 176.300 -0.249 0.000 1.112 216 R CA -0.595 55.420 56.100 -0.142 0.000 0.976 216 R CB 1.478 31.727 30.300 -0.086 0.000 1.261 216 R HN 0.377 8.516 8.270 -0.217 0.000 0.453 217 W N 0.017 121.273 121.300 -0.074 0.000 3.434 217 W HA 0.259 4.893 4.660 -0.044 0.000 0.238 217 W C 0.112 176.581 176.519 -0.084 0.000 0.910 217 W CA 0.343 57.651 57.345 -0.062 0.000 2.222 217 W CB 0.575 30.003 29.460 -0.054 0.000 1.131 217 W HN 0.032 8.315 8.180 0.172 0.000 0.636 218 S N 0.523 116.306 115.700 0.138 0.000 2.438 218 S HA 0.126 4.594 4.470 -0.003 0.000 0.316 218 S C -1.517 172.941 174.600 -0.235 0.000 1.084 218 S CA -0.101 58.074 58.200 -0.042 0.000 1.107 218 S CB -0.058 63.099 63.200 -0.072 0.000 0.981 218 S HN -0.239 8.174 8.310 0.172 0.000 0.466 219 N N 4.264 122.792 118.700 -0.286 0.000 2.710 219 N HA 0.216 4.493 4.740 -0.771 0.000 0.257 219 N C -2.125 173.217 175.510 -0.279 0.000 1.140 219 N CA 0.428 53.208 53.050 -0.451 0.000 0.953 219 N CB 2.014 40.321 38.487 -0.300 0.000 1.664 219 N HN -0.065 8.220 8.380 -0.158 0.000 0.497 220 W N -0.179 121.024 121.300 -0.161 0.000 2.962 220 W HA 0.546 5.140 4.660 -0.109 0.000 0.341 220 W C -1.226 175.108 176.519 -0.308 0.000 1.155 220 W CA -0.968 56.282 57.345 -0.158 0.000 1.165 220 W CB 0.113 29.527 29.460 -0.075 0.000 1.435 220 W HN 0.310 7.919 8.180 -0.953 0.000 0.546 221 D N -1.090 119.373 120.400 0.106 0.000 2.358 221 D HA 0.103 4.639 4.640 -0.174 0.000 0.244 221 D C -1.476 174.858 176.300 0.058 0.000 1.163 221 D CA -0.071 53.918 54.000 -0.018 0.000 0.945 221 D CB 0.669 41.499 40.800 0.050 0.000 1.152 221 D HN 0.034 8.500 8.370 0.159 0.000 0.451 222 W N -1.699 119.691 121.300 0.149 0.000 2.655 222 W HA 0.266 4.985 4.660 0.098 0.000 0.358 222 W C -0.320 176.239 176.519 0.066 0.000 1.100 222 W CA -0.931 56.479 57.345 0.107 0.000 1.195 222 W CB 1.099 30.625 29.460 0.110 0.000 1.403 222 W HN 0.063 8.349 8.180 0.177 0.000 0.589 223 Q N 0.132 120.110 119.800 0.296 0.000 2.606 223 Q HA 0.026 4.460 4.340 0.157 0.000 0.215 223 Q C 0.274 176.343 176.000 0.115 0.000 0.908 223 Q CA 1.121 57.020 55.803 0.160 0.000 0.908 223 Q CB 0.765 29.563 28.738 0.101 0.000 1.120 223 Q HN -0.054 8.401 8.270 0.309 0.000 0.628 224 D N -1.560 118.880 120.400 0.067 0.000 2.194 224 D HA -0.036 4.619 4.640 0.025 0.000 0.204 224 D C -0.388 175.914 176.300 0.004 0.000 0.964 224 D CA 1.004 55.013 54.000 0.014 0.000 0.846 224 D CB 0.385 41.165 40.800 -0.033 0.000 0.962 224 D HN -0.163 8.244 8.370 0.061 0.000 0.490 225 D N -0.986 119.413 120.400 -0.001 0.000 2.177 225 D HA 0.080 4.699 4.640 -0.034 0.000 0.247 225 D C -0.796 175.626 176.300 0.202 0.000 1.063 225 D CA -0.194 53.800 54.000 -0.009 0.000 0.867 225 D CB 1.352 41.946 40.800 -0.343 0.000 1.168 225 D HN -0.321 8.058 8.370 0.016 0.000 0.445 226 I N -3.540 117.128 120.570 0.164 0.000 2.608 226 I HA 0.358 4.675 4.170 0.245 0.000 0.295 226 I C -0.370 175.860 176.117 0.190 0.000 1.049 226 I CA -0.652 60.762 61.300 0.190 0.000 1.063 226 I CB 2.561 40.631 38.000 0.117 0.000 1.248 226 I HN 0.021 8.288 8.210 0.095 0.000 0.424 227 E N 4.111 124.429 120.200 0.198 0.000 2.405 227 E HA 0.071 4.525 4.350 0.172 0.000 0.214 227 E C -0.880 175.786 176.600 0.111 0.000 1.101 227 E CA -1.069 55.431 56.400 0.166 0.000 1.254 227 E CB 0.109 29.909 29.700 0.166 0.000 1.240 227 E HN 0.310 8.787 8.360 0.195 0.000 0.439 228 R N -0.094 120.462 120.500 0.094 0.000 2.239 228 R HA 0.150 4.530 4.340 0.066 0.000 0.332 228 R C -0.584 175.753 176.300 0.061 0.000 0.988 228 R CA 0.107 56.248 56.100 0.069 0.000 0.859 228 R CB 0.242 30.576 30.300 0.056 0.000 1.148 228 R HN -0.034 8.203 8.270 0.100 0.093 0.482 229 E N 4.196 124.435 120.200 0.064 0.000 2.926 229 E HA 0.045 4.425 4.350 0.050 0.000 0.232 229 E C 0.092 176.730 176.600 0.064 0.000 1.095 229 E CA 0.167 56.606 56.400 0.064 0.000 1.755 229 E CB 0.558 30.305 29.700 0.078 0.000 2.411 229 E HN 0.613 9.014 8.360 0.068 0.000 1.046 230 G N 1.356 110.200 108.800 0.074 0.000 2.245 230 G HA2 -0.259 3.711 3.960 0.017 0.000 0.116 230 G HA3 -0.259 3.715 3.960 0.024 0.000 0.116 230 G C -1.118 173.804 174.900 0.037 0.000 1.054 230 G CA -0.181 44.942 45.100 0.039 0.000 0.728 230 G HN 0.087 8.430 8.290 0.089 0.000 0.483 231 H N -0.831 118.241 119.070 0.004 0.000 2.750 231 H HA 0.160 4.703 4.556 -0.022 0.000 0.239 231 H C -1.498 173.847 175.328 0.028 0.000 1.210 231 H CA -0.788 55.264 56.048 0.007 0.000 0.936 231 H CB 0.601 30.380 29.762 0.029 0.000 2.074 231 H HN -0.037 8.335 8.280 0.153 0.000 0.622 232 D N -0.283 120.167 120.400 0.083 0.000 2.185 232 D HA 0.103 4.851 4.640 0.179 0.000 0.247 232 D C -0.739 175.581 176.300 0.034 0.000 1.027 232 D CA -0.731 53.331 54.000 0.103 0.000 0.861 232 D CB 1.766 42.617 40.800 0.084 0.000 1.202 232 D HN -0.399 7.989 8.370 0.030 0.000 0.453 233 F N 1.523 121.469 119.950 -0.007 0.000 2.434 233 F HA -0.045 4.462 4.527 -0.033 0.000 0.358 233 F C -1.181 174.583 175.800 -0.060 0.000 1.136 233 F CA 0.305 58.278 58.000 -0.044 0.000 1.157 233 F CB 0.319 39.271 39.000 -0.080 0.000 1.167 233 F HN 0.134 8.626 8.300 0.320 0.000 0.539 234 N N 2.066 120.781 118.700 0.025 0.000 2.961 234 N HA 0.188 4.952 4.740 0.040 0.000 0.245 234 N C -0.510 175.037 175.510 0.061 0.000 1.404 234 N CA -0.131 52.943 53.050 0.039 0.000 0.880 234 N CB 1.703 40.212 38.487 0.037 0.000 1.461 234 N HN -0.332 7.993 8.380 -0.093 0.000 0.510 235 R N 1.399 121.965 120.500 0.109 0.000 2.038 235 R HA 0.219 4.693 4.340 0.225 0.000 0.214 235 R C 0.728 177.131 176.300 0.172 0.000 1.249 235 R CA 0.066 56.280 56.100 0.190 0.000 1.025 235 R CB 0.785 31.229 30.300 0.241 0.000 0.911 235 R HN 0.353 8.677 8.270 0.089 0.000 0.456 236 V N -1.311 118.700 119.914 0.162 0.000 3.683 236 V HA -0.315 4.087 4.120 0.177 -0.176 0.493 236 V C 0.200 176.410 176.094 0.193 0.000 0.682 236 V CA -0.055 62.340 62.300 0.158 0.000 2.008 236 V CB -1.356 30.522 31.823 0.093 0.000 2.427 236 V HN 0.033 8.318 8.190 0.158 0.000 0.505 237 G N 3.677 112.630 108.800 0.254 0.000 2.484 237 G HA2 0.066 4.161 3.960 0.224 0.000 0.235 237 G HA3 0.066 4.189 3.960 0.271 0.000 0.235 237 G C -1.619 173.392 174.900 0.185 0.000 1.282 237 G CA -0.070 45.176 45.100 0.242 0.000 0.857 237 G HN -0.150 8.271 8.290 0.335 0.070 0.571 238 L N 4.082 125.405 121.223 0.167 0.000 2.316 238 L HA 0.366 4.651 4.340 -0.092 0.000 0.280 238 L C -1.843 175.009 176.870 -0.030 0.000 1.006 238 L CA -0.506 54.313 54.840 -0.035 0.000 0.836 238 L CB 1.742 43.733 42.059 -0.112 0.000 1.221 238 L HN -0.237 8.129 8.230 0.228 0.000 0.418 239 F N 5.142 124.936 119.950 -0.261 0.000 2.382 239 F HA 0.676 5.424 4.527 -0.048 -0.250 0.361 239 F C -1.373 174.319 175.800 -0.180 0.000 1.109 239 F CA -2.541 55.390 58.000 -0.115 0.000 1.031 239 F CB 2.600 41.663 39.000 0.104 0.000 1.234 239 F HN -0.187 8.103 8.300 -0.015 0.000 0.445 240 Y N 5.558 125.813 120.300 -0.075 0.000 2.320 240 Y HA 0.293 4.914 4.550 -0.059 -0.106 0.324 240 Y C -0.145 175.706 175.900 -0.083 0.000 1.190 240 Y CA -1.365 56.691 58.100 -0.073 0.000 1.215 240 Y CB 1.744 40.193 38.460 -0.018 0.000 1.221 240 Y HN -0.039 8.084 8.280 -0.262 0.000 0.486 241 G N 0.450 109.303 108.800 0.087 0.000 2.730 241 G HA2 0.502 4.775 3.960 0.165 0.000 0.291 241 G HA3 0.502 4.598 3.960 0.227 0.000 0.291 241 G C -2.829 172.097 174.900 0.044 0.000 1.456 241 G CA -0.544 44.638 45.100 0.137 0.000 0.996 241 G HN 0.840 9.066 8.290 0.034 0.084 0.528 242 Y N 5.545 125.951 120.300 0.178 0.000 2.519 242 Y HA 0.213 4.873 4.550 0.183 0.000 0.324 242 Y C 0.107 176.080 175.900 0.122 0.000 1.214 242 Y CA 0.049 58.238 58.100 0.149 0.000 1.260 242 Y CB 3.104 41.626 38.460 0.103 0.000 1.311 242 Y HN 0.819 9.207 8.280 0.368 0.112 0.505 243 D N 1.073 121.625 120.400 0.253 0.000 4.555 243 D HA -0.455 4.260 4.640 0.126 0.000 0.183 243 D C -0.196 176.241 176.300 0.228 0.000 0.666 243 D CA 2.313 56.417 54.000 0.174 0.000 1.462 243 D CB -0.427 40.459 40.800 0.145 0.000 0.915 243 D HN 0.550 9.074 8.370 0.257 0.000 0.477 244 F N -0.097 119.885 119.950 0.054 0.000 3.105 244 F HA -0.394 4.146 4.527 0.022 0.000 0.280 244 F C -0.920 174.887 175.800 0.011 0.000 0.894 244 F CA 1.643 59.657 58.000 0.024 0.000 0.992 244 F CB -0.735 38.273 39.000 0.012 0.000 1.047 244 F HN -0.256 8.126 8.300 0.136 0.000 0.607 245 Q N -2.263 117.673 119.800 0.228 0.000 2.452 245 Q HA 0.093 4.547 4.340 0.189 0.000 0.190 245 Q C 0.724 176.839 176.000 0.191 0.000 0.710 245 Q CA 0.507 56.419 55.803 0.182 0.000 0.917 245 Q CB 1.355 30.166 28.738 0.123 0.000 1.282 245 Q HN 0.460 9.292 8.270 0.180 -0.454 0.447 246 N N -1.144 117.646 118.700 0.151 0.000 2.348 246 N HA -0.244 4.572 4.740 0.126 0.000 0.185 246 N C 0.675 176.294 175.510 0.182 0.000 1.019 246 N CA 2.024 55.159 53.050 0.142 0.000 0.880 246 N CB 0.624 39.177 38.487 0.111 0.000 0.965 246 N HN -0.260 8.324 8.380 0.132 -0.125 0.437 247 G N -4.183 104.720 108.800 0.171 0.000 2.480 247 G HA2 -0.214 3.822 3.960 0.127 0.000 0.193 247 G HA3 -0.214 3.769 3.960 0.039 0.000 0.193 247 G C -2.796 172.002 174.900 -0.171 0.000 1.004 247 G CA -0.330 44.782 45.100 0.020 0.000 0.696 247 G HN -0.459 8.016 8.290 0.144 -0.099 0.478 248 L N -4.538 116.801 121.223 0.193 0.000 2.296 248 L HA 0.409 4.942 4.340 0.322 0.000 0.286 248 L C -1.690 175.205 176.870 0.042 0.000 1.023 248 L CA -1.279 53.708 54.840 0.244 0.000 0.812 248 L CB 1.252 43.483 42.059 0.286 0.000 1.223 248 L HN -0.819 7.471 8.230 0.200 0.060 0.421 249 S N 2.858 118.520 115.700 -0.063 0.000 2.438 249 S HA 0.247 4.620 4.470 -0.161 0.000 0.293 249 S C -0.119 174.461 174.600 -0.035 0.000 1.141 249 S CA -1.000 57.095 58.200 -0.175 0.000 1.080 249 S CB 0.847 63.768 63.200 -0.464 0.000 0.978 249 S HN -0.657 7.586 8.310 -0.031 0.049 0.479 250 V N 9.807 129.749 119.914 0.048 0.000 2.347 250 V HA 0.116 4.266 4.120 0.050 0.000 0.280 250 V C -1.410 174.749 176.094 0.108 0.000 1.021 250 V CA -0.499 61.855 62.300 0.089 0.000 0.847 250 V CB 0.887 32.789 31.823 0.130 0.000 0.990 250 V HN 0.330 8.570 8.190 0.083 0.000 0.444 251 S N 7.866 123.577 115.700 0.019 0.000 2.593 251 S HA 1.082 5.732 4.470 -0.080 -0.228 0.297 251 S C -1.432 173.060 174.600 -0.180 0.000 1.112 251 S CA -0.987 57.138 58.200 -0.125 0.000 1.043 251 S CB 2.709 65.794 63.200 -0.192 0.000 1.054 251 S HN 0.975 9.186 8.310 0.009 0.104 0.516 252 L N 1.694 122.717 121.223 -0.334 0.000 2.401 252 L HA 0.583 4.984 4.340 -0.082 -0.110 0.266 252 L C -2.256 174.438 176.870 -0.293 0.000 0.991 252 L CA -0.936 53.823 54.840 -0.136 0.000 0.818 252 L CB 4.920 47.107 42.059 0.212 0.000 1.321 252 L HN 0.497 8.412 8.230 -0.525 0.000 0.413 253 E N 3.488 123.672 120.200 -0.027 0.000 2.176 253 E HA 0.462 5.057 4.350 0.197 -0.126 0.267 253 E C -1.733 175.021 176.600 0.256 0.000 0.893 253 E CA -1.839 54.648 56.400 0.146 0.000 0.761 253 E CB 3.262 33.090 29.700 0.212 0.000 1.133 253 E HN 0.272 8.647 8.360 0.025 0.000 0.409 254 Y N 7.152 127.524 120.300 0.121 0.000 2.477 254 Y HA 0.230 4.849 4.550 0.115 0.000 0.347 254 Y C -2.460 173.530 175.900 0.151 0.000 0.981 254 Y CA -0.642 57.536 58.100 0.130 0.000 1.033 254 Y CB 4.384 42.942 38.460 0.164 0.000 1.245 254 Y HN -0.011 8.467 8.280 0.330 0.000 0.455 255 A N 4.845 127.646 122.820 -0.031 0.000 2.521 255 A HA 0.186 4.657 4.320 0.252 0.000 0.298 255 A C -2.292 175.291 177.584 -0.003 0.000 1.044 255 A CA 0.027 52.126 52.037 0.104 0.000 0.911 255 A CB 1.161 20.237 19.000 0.128 0.000 1.376 255 A HN 0.001 7.901 8.150 -0.416 0.000 0.392 256 F N 1.439 121.390 119.950 0.001 0.000 2.380 256 F HA -0.101 4.319 4.527 -0.178 0.000 0.295 256 F C 0.691 176.418 175.800 -0.122 0.000 1.292 256 F CA 0.066 58.003 58.000 -0.105 0.000 1.248 256 F CB 1.007 39.942 39.000 -0.107 0.000 1.338 256 F HN 0.016 8.625 8.300 0.515 0.000 0.524 257 E N 0.190 120.360 120.200 -0.050 0.000 2.156 257 E HA 0.073 4.413 4.350 -0.016 0.000 0.279 257 E C -1.524 174.921 176.600 -0.258 0.000 0.965 257 E CA 0.337 56.661 56.400 -0.127 0.000 0.789 257 E CB 0.412 29.999 29.700 -0.188 0.000 1.098 257 E HN 0.140 8.484 8.360 -0.027 0.000 0.397 258 W N 1.849 123.198 121.300 0.081 0.000 3.213 258 W HA 0.085 4.789 4.660 0.073 0.000 0.318 258 W C -1.072 175.481 176.519 0.055 0.000 1.248 258 W CA -0.756 56.634 57.345 0.075 0.000 1.187 258 W CB 1.866 31.381 29.460 0.092 0.000 1.403 258 W HN 0.052 8.351 8.180 0.198 0.000 0.556 259 Q N 0.417 120.504 119.800 0.478 0.000 3.217 259 Q HA -0.292 4.175 4.340 0.212 0.000 0.025 259 Q C -1.996 174.114 176.000 0.183 0.000 1.708 259 Q CA 0.631 56.581 55.803 0.246 0.000 0.234 259 Q CB -0.138 28.703 28.738 0.173 0.000 0.989 259 Q HN 0.099 8.804 8.270 0.726 0.000 0.321 260 D N -2.788 117.697 120.400 0.142 0.000 2.694 260 D HA 0.176 5.041 4.640 0.126 -0.150 0.260 260 D C -1.419 174.966 176.300 0.142 0.000 1.250 260 D CA 0.069 54.144 54.000 0.124 0.000 0.763 260 D CB 1.509 42.364 40.800 0.091 0.000 1.311 260 D HN -0.090 8.359 8.370 0.132 0.000 0.420 261 H N -0.211 118.881 119.070 0.035 0.000 2.276 261 H HA 0.217 4.788 4.556 0.026 0.000 0.199 261 H C -1.012 174.330 175.328 0.023 0.000 0.867 261 H CA 0.418 56.483 56.048 0.027 0.000 0.948 261 H CB 2.087 31.863 29.762 0.024 0.000 1.251 261 H HN 0.100 8.484 8.280 0.172 0.000 0.388 262 D N 1.434 121.933 120.400 0.165 0.000 2.283 262 D HA 0.113 4.812 4.640 0.099 0.000 0.248 262 D C -0.438 175.887 176.300 0.043 0.000 1.072 262 D CA 0.166 54.226 54.000 0.101 0.000 0.929 262 D CB 1.356 42.219 40.800 0.106 0.000 1.182 262 D HN -0.193 8.290 8.370 0.188 0.000 0.433 263 E N 0.771 120.985 120.200 0.024 0.000 2.349 263 E HA 0.030 4.383 4.350 0.006 0.000 0.201 263 E C -0.141 176.465 176.600 0.011 0.000 1.087 263 E CA 0.053 56.459 56.400 0.009 0.000 1.128 263 E CB -0.386 29.312 29.700 -0.002 0.000 1.188 263 E HN 0.239 8.616 8.360 0.029 0.000 0.445 264 G N 0.461 109.272 108.800 0.019 0.000 3.953 264 G HA2 -0.146 3.815 3.960 0.002 0.000 0.175 264 G HA3 -0.146 3.823 3.960 0.015 0.000 0.175 264 G C 0.135 175.047 174.900 0.020 0.000 0.875 264 G CA 0.632 45.739 45.100 0.013 0.000 0.908 264 G HN -0.249 7.960 8.290 0.029 0.098 0.367 265 D N 0.247 120.672 120.400 0.041 0.000 2.312 265 D HA -0.032 4.646 4.640 0.063 0.000 0.211 265 D C -0.547 175.788 176.300 0.057 0.000 0.964 265 D CA 0.805 54.842 54.000 0.061 0.000 0.877 265 D CB 0.165 41.013 40.800 0.079 0.000 0.924 265 D HN 0.100 8.497 8.370 0.046 0.000 0.515 266 S N -4.331 111.393 115.700 0.039 0.000 3.465 266 S HA -0.282 4.202 4.470 0.024 0.000 0.849 266 S C -0.941 173.695 174.600 0.060 0.000 1.200 266 S CA 1.330 59.547 58.200 0.028 0.000 0.947 266 S CB 0.488 63.673 63.200 -0.025 0.000 0.609 266 S HN -0.451 7.828 8.310 0.037 0.054 0.300 267 D N 3.158 123.592 120.400 0.057 0.000 2.120 267 D HA -0.147 4.536 4.640 0.073 0.000 0.202 267 D C 0.450 176.782 176.300 0.055 0.000 0.972 267 D CA 1.876 55.914 54.000 0.064 0.000 0.837 267 D CB 0.679 41.520 40.800 0.070 0.000 0.989 267 D HN 0.161 8.685 8.370 0.044 -0.127 0.469 268 K N -2.328 118.093 120.400 0.034 0.000 2.258 268 K HA 0.194 4.528 4.320 0.023 0.000 0.236 268 K C -0.348 176.289 176.600 0.061 0.000 1.008 268 K CA -1.020 55.275 56.287 0.013 0.000 0.869 268 K CB 1.843 34.309 32.500 -0.057 0.000 1.171 268 K HN -0.517 7.747 8.250 0.023 0.000 0.447 269 F N -0.461 119.426 119.950 -0.106 0.000 2.602 269 F HA 0.023 4.577 4.527 0.045 0.000 0.284 269 F C -0.228 175.632 175.800 0.100 0.000 1.111 269 F CA 1.086 59.102 58.000 0.027 0.000 1.405 269 F CB 0.866 39.940 39.000 0.122 0.000 1.121 269 F HN 0.010 8.314 8.300 0.005 0.000 0.603 270 H N -3.521 115.687 119.070 0.230 0.000 2.865 270 H HA 0.142 4.800 4.556 0.170 0.000 0.372 270 H C -1.640 173.775 175.328 0.145 0.000 1.173 270 H CA -1.337 54.804 56.048 0.154 0.000 1.147 270 H CB 1.228 31.050 29.762 0.099 0.000 1.805 270 H HN -0.413 7.610 8.280 -0.428 0.000 0.553 271 Y N -0.283 120.062 120.300 0.075 0.000 2.736 271 Y HA 0.176 4.696 4.550 -0.049 0.000 0.272 271 Y C -1.514 174.379 175.900 -0.011 0.000 1.118 271 Y CA -1.029 57.050 58.100 -0.036 0.000 1.248 271 Y CB 0.731 39.100 38.460 -0.151 0.000 1.437 271 Y HN 0.119 8.409 8.280 0.017 0.000 0.481 272 A N 0.573 122.821 122.820 -0.953 0.000 2.279 272 A HA 0.204 4.507 4.320 -0.288 -0.156 0.303 272 A C -1.016 176.428 177.584 -0.233 0.000 1.108 272 A CA -0.776 50.918 52.037 -0.571 0.000 0.830 272 A CB 1.893 20.424 19.000 -0.781 0.000 1.106 272 A HN -0.350 6.659 8.150 -1.902 0.000 0.493 273 G N -1.406 107.349 108.800 -0.076 0.000 2.753 273 G HA2 0.606 4.536 3.960 -0.050 0.000 0.295 273 G HA3 0.606 4.596 3.960 0.050 0.000 0.295 273 G C -2.656 172.244 174.900 0.002 0.000 1.437 273 G CA 0.182 45.275 45.100 -0.012 0.000 1.094 273 G HN -0.377 7.891 8.290 -0.036 0.000 0.540 274 V N 3.311 123.230 119.914 0.008 0.000 2.409 274 V HA 0.406 4.519 4.120 -0.011 0.000 0.291 274 V C -1.737 174.383 176.094 0.044 0.000 1.020 274 V CA -1.917 60.391 62.300 0.013 0.000 0.848 274 V CB 1.782 33.608 31.823 0.006 0.000 0.990 274 V HN 0.195 8.393 8.190 0.014 0.000 0.430 275 G N 4.803 113.617 108.800 0.023 0.000 2.667 275 G HA2 0.785 4.977 3.960 0.052 0.000 0.298 275 G HA3 0.785 4.781 3.960 0.059 0.000 0.298 275 G C -3.139 171.778 174.900 0.027 0.000 1.377 275 G CA -0.760 44.364 45.100 0.041 0.000 0.964 275 G HN -0.143 8.137 8.290 -0.016 0.000 0.493 276 V N -3.521 116.411 119.914 0.031 0.000 3.001 276 V HA 1.100 5.366 4.120 0.012 -0.139 0.314 276 V C -1.831 174.268 176.094 0.008 0.000 1.099 276 V CA -3.454 58.859 62.300 0.022 0.000 0.989 276 V CB 3.659 35.507 31.823 0.040 0.000 1.040 276 V HN 0.426 8.529 8.190 0.037 0.108 0.434 277 N N 1.207 119.896 118.700 -0.018 0.000 2.621 277 N HA 0.306 5.182 4.740 0.009 -0.131 0.271 277 N C -1.944 173.555 175.510 -0.019 0.000 1.181 277 N CA 0.499 53.527 53.050 -0.038 0.000 0.805 277 N CB 2.354 40.765 38.487 -0.128 0.000 1.351 277 N HN 0.657 8.877 8.380 -0.032 0.140 0.539 278 Y N 8.585 128.859 120.300 -0.045 0.000 2.365 278 Y HA 0.242 4.931 4.550 -0.033 -0.159 0.340 278 Y C -2.060 173.857 175.900 0.028 0.000 1.016 278 Y CA -0.822 57.270 58.100 -0.013 0.000 1.196 278 Y CB 1.565 40.030 38.460 0.008 0.000 1.167 278 Y HN 0.892 9.300 8.280 0.213 0.000 0.509 279 S N 7.573 123.052 115.700 -0.367 0.000 2.547 279 S HA 1.047 5.760 4.470 0.019 -0.231 0.281 279 S C -1.794 172.686 174.600 -0.199 0.000 1.118 279 S CA -1.688 56.416 58.200 -0.159 0.000 0.947 279 S CB 2.741 65.917 63.200 -0.040 0.000 1.053 279 S HN 0.124 8.151 8.310 -0.473 0.000 0.482 280 F N 0.000 119.869 119.950 -0.135 0.000 2.286 280 F HA 0.000 4.472 4.527 -0.091 0.000 0.279 280 F CA 0.000 57.912 58.000 -0.146 0.000 1.383 280 F CB 0.000 38.851 39.000 -0.248 0.000 1.145 280 F HN 0.000 8.418 8.300 0.197 0.000 0.574