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 1ovz_1_A DATA FIRST_RESID 6 DATA SEQUENCE PMPFISAKSS PVIPLDGSVK IQcQAIREAY LTQLMIIKNS TYREIGRRLK DATA SEQUENCE FWNETDPEFV IDHMDANKAG RYQcQYRIGH YRFRYSDTLE LVVTGLYGKP DATA SEQUENCE FLSADRGLVL MPGENISLTc SSAHIPFDRF SLAKEGELSL PQHQSGEHPA DATA SEQUENCE NFSLGPVDLN VSGIYRcYGW YNRSPYLWSF PSNALELVVT AID 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 6 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 6 P C 0.000 177.320 177.300 0.033 0.000 1.155 6 P CA 0.000 63.123 63.100 0.038 0.000 0.800 6 P CB 0.000 31.724 31.700 0.040 0.000 0.726 7 M N 2.368 121.998 119.600 0.049 0.000 2.367 7 M HA 0.517 4.998 4.480 0.001 0.000 0.339 7 M C -2.249 174.078 176.300 0.045 0.000 1.177 7 M CA -1.730 53.596 55.300 0.043 0.000 1.068 7 M CB 1.449 34.093 32.600 0.074 0.000 1.602 7 M HN 0.254 8.544 8.290 -0.000 0.000 0.457 8 P HA -0.047 4.373 4.420 -0.000 0.000 0.264 8 P C -0.913 176.388 177.300 0.001 0.000 1.183 8 P CA -0.000 63.051 63.100 -0.082 0.000 0.763 8 P CB -0.022 31.553 31.700 -0.208 0.000 0.807 9 F N 2.636 122.628 119.950 0.072 0.000 2.444 9 F HA 0.431 4.958 4.527 0.001 0.000 0.331 9 F C 0.310 176.167 175.800 0.095 0.000 1.167 9 F CA -0.881 57.163 58.000 0.073 0.000 1.262 9 F CB 0.199 39.230 39.000 0.052 0.000 1.196 9 F HN 0.241 8.541 8.300 -0.000 0.000 0.583 10 I N 2.779 123.537 120.570 0.314 0.000 2.796 10 I HA 0.245 4.416 4.170 0.001 0.000 0.277 10 I C -0.508 175.742 176.117 0.222 0.000 1.331 10 I CA 0.024 61.440 61.300 0.193 0.000 0.983 10 I CB 0.224 38.284 38.000 0.101 0.000 1.410 10 I HN 0.797 9.007 8.210 -0.000 0.000 0.561 11 S N 3.969 119.866 115.700 0.329 0.000 2.634 11 S HA 0.796 5.266 4.470 0.001 0.000 0.261 11 S C 0.075 174.729 174.600 0.091 0.000 1.271 11 S CA -0.025 58.280 58.200 0.176 0.000 0.985 11 S CB 1.132 64.418 63.200 0.144 0.000 0.968 11 S HN 0.685 8.995 8.310 -0.000 0.000 0.568 12 A N 2.223 125.065 122.820 0.037 0.000 2.335 12 A HA 0.536 4.857 4.320 0.001 0.000 0.304 12 A C 0.646 178.226 177.584 -0.006 0.000 1.118 12 A CA -0.723 51.309 52.037 -0.007 0.000 0.757 12 A CB 0.961 19.932 19.000 -0.048 0.000 1.188 12 A HN 0.765 8.915 8.150 -0.000 0.000 0.460 13 K N 0.985 121.383 120.400 -0.004 0.000 2.025 13 K HA -0.034 4.286 4.320 0.001 0.000 0.207 13 K C 1.211 177.798 176.600 -0.022 0.000 1.049 13 K CA 1.767 58.050 56.287 -0.006 0.000 0.933 13 K CB -0.521 31.978 32.500 -0.001 0.000 0.714 13 K HN 0.815 9.065 8.250 -0.000 0.000 0.438 14 S N 0.158 115.836 115.700 -0.036 0.000 2.707 14 S HA 0.236 4.707 4.470 0.001 0.000 0.276 14 S C 0.330 174.899 174.600 -0.052 0.000 1.179 14 S CA -0.838 57.335 58.200 -0.043 0.000 0.992 14 S CB 1.570 64.738 63.200 -0.054 0.000 1.030 14 S HN 0.105 8.415 8.310 -0.000 0.000 0.554 15 S N 1.090 116.758 115.700 -0.053 0.000 2.562 15 S HA 0.254 4.725 4.470 0.001 0.000 0.281 15 S C -1.874 172.666 174.600 -0.100 0.000 1.333 15 S CA -1.329 56.835 58.200 -0.060 0.000 1.052 15 S CB 0.109 63.281 63.200 -0.046 0.000 0.884 15 S HN 0.523 8.833 8.310 -0.000 0.000 0.506 16 P HA 0.081 4.501 4.420 -0.000 0.000 0.242 16 P C -0.664 176.490 177.300 -0.243 0.000 1.197 16 P CA 0.362 63.368 63.100 -0.156 0.000 0.765 16 P CB 0.156 31.790 31.700 -0.111 0.000 0.936 17 V N 1.408 121.180 119.914 -0.236 0.000 2.304 17 V HA 0.198 4.318 4.120 0.001 0.000 0.269 17 V C 0.045 175.990 176.094 -0.248 0.000 1.036 17 V CA -0.439 61.652 62.300 -0.348 0.000 0.840 17 V CB 0.488 32.139 31.823 -0.286 0.000 1.036 17 V HN -0.139 8.051 8.190 -0.000 0.000 0.466 18 I N 7.924 128.331 120.570 -0.272 0.000 2.378 18 I HA 0.497 4.668 4.170 0.001 0.000 0.291 18 I C -2.262 173.750 176.117 -0.174 0.000 0.992 18 I CA -2.299 58.891 61.300 -0.184 0.000 1.154 18 I CB 1.679 39.582 38.000 -0.163 0.000 1.315 18 I HN 0.373 8.583 8.210 -0.000 0.000 0.448 19 P HA 0.051 4.471 4.420 -0.000 0.000 0.270 19 P C 0.887 178.123 177.300 -0.106 0.000 1.223 19 P CA -0.421 62.626 63.100 -0.088 0.000 0.785 19 P CB 0.503 32.195 31.700 -0.013 0.000 0.923 20 L N 2.017 123.158 121.223 -0.136 0.000 2.199 20 L HA -0.287 4.053 4.340 0.001 0.000 0.248 20 L C 0.994 177.828 176.870 -0.060 0.000 1.116 20 L CA 2.196 56.965 54.840 -0.119 0.000 0.843 20 L CB -1.363 40.638 42.059 -0.096 0.000 0.961 20 L HN 0.421 8.651 8.230 -0.000 0.000 0.441 21 D N -0.051 120.340 120.400 -0.014 0.000 2.434 21 D HA 0.192 4.833 4.640 0.001 0.000 0.232 21 D C 0.891 177.203 176.300 0.020 0.000 1.166 21 D CA 0.741 54.757 54.000 0.025 0.000 0.830 21 D CB -0.363 40.474 40.800 0.063 0.000 0.960 21 D HN 0.555 8.925 8.370 -0.000 0.000 0.497 22 G N 0.851 109.637 108.800 -0.023 0.000 2.479 22 G HA2 0.268 4.229 3.960 0.001 0.000 0.275 22 G HA3 0.268 4.229 3.960 0.001 0.000 0.275 22 G C 0.096 174.952 174.900 -0.073 0.000 1.421 22 G CA -0.098 44.976 45.100 -0.043 0.000 1.059 22 G HN 0.248 8.538 8.290 -0.000 0.000 0.535 23 S N -2.763 112.883 115.700 -0.090 0.000 2.533 23 S HA 0.574 5.044 4.470 0.001 0.000 0.271 23 S C -1.244 173.294 174.600 -0.103 0.000 1.143 23 S CA -0.502 57.631 58.200 -0.113 0.000 0.891 23 S CB 1.824 64.944 63.200 -0.133 0.000 1.105 23 S HN 1.429 9.739 8.310 -0.000 0.000 0.468 24 V N 1.865 121.710 119.914 -0.115 0.000 2.962 24 V HA 0.775 4.895 4.120 0.001 0.000 0.313 24 V C -1.259 174.777 176.094 -0.098 0.000 1.099 24 V CA -0.822 61.408 62.300 -0.116 0.000 0.971 24 V CB 2.030 33.756 31.823 -0.162 0.000 1.028 24 V HN 1.128 9.318 8.190 -0.000 0.000 0.430 25 K N 5.554 125.910 120.400 -0.075 0.000 2.358 25 K HA 0.615 4.935 4.320 0.001 0.000 0.260 25 K C -1.371 175.212 176.600 -0.028 0.000 0.956 25 K CA -0.576 55.688 56.287 -0.038 0.000 0.834 25 K CB 1.297 33.782 32.500 -0.024 0.000 1.102 25 K HN 0.724 8.974 8.250 -0.000 0.000 0.431 26 I N 3.012 123.585 120.570 0.005 0.000 2.562 26 I HA 0.275 4.446 4.170 0.001 0.000 0.301 26 I C -0.478 175.725 176.117 0.143 0.000 1.003 26 I CA -0.887 60.424 61.300 0.018 0.000 1.127 26 I CB 2.098 40.045 38.000 -0.089 0.000 1.304 26 I HN 0.615 8.825 8.210 -0.000 0.000 0.446 27 Q N 4.641 124.526 119.800 0.142 0.000 2.304 27 Q HA 0.472 4.813 4.340 0.001 0.000 0.270 27 Q C -1.792 174.312 176.000 0.174 0.000 1.035 27 Q CA -0.543 55.378 55.803 0.196 0.000 0.781 27 Q CB 2.138 30.991 28.738 0.191 0.000 1.261 27 Q HN 0.756 9.026 8.270 -0.000 0.000 0.444 28 c N 2.294 120.973 118.600 0.133 0.000 2.399 28 c HA 0.422 4.992 4.570 0.001 0.000 0.348 28 c C -0.159 173.766 174.090 -0.274 0.000 1.183 28 c CA -0.522 55.779 56.329 -0.046 0.000 2.023 28 c CB 1.534 44.048 42.510 0.007 0.000 2.361 28 c HN 0.921 9.151 8.230 -0.000 0.000 0.521 29 Q N 1.492 120.879 119.800 -0.687 0.000 2.304 29 Q HA 0.506 4.846 4.340 0.001 0.000 0.260 29 Q C -0.035 175.857 176.000 -0.181 0.000 0.965 29 Q CA -0.185 55.075 55.803 -0.905 0.000 0.898 29 Q CB 0.794 28.795 28.738 -1.229 0.000 1.196 29 Q HN 0.883 9.153 8.270 -0.000 0.000 0.402 30 A N 4.937 127.713 122.820 -0.073 0.000 2.498 30 A HA 0.322 4.643 4.320 0.001 0.000 0.239 30 A C -0.495 177.069 177.584 -0.033 0.000 1.068 30 A CA -0.093 51.962 52.037 0.030 0.000 0.766 30 A CB 0.249 19.266 19.000 0.028 0.000 1.003 30 A HN 0.728 8.878 8.150 -0.000 0.000 0.497 31 I N 3.144 123.708 120.570 -0.010 0.000 2.466 31 I HA 0.272 4.442 4.170 0.001 0.000 0.279 31 I C 1.716 177.793 176.117 -0.067 0.000 1.033 31 I CA -0.100 61.118 61.300 -0.137 0.000 1.123 31 I CB 0.143 37.908 38.000 -0.392 0.000 1.237 31 I HN 0.963 9.173 8.210 -0.000 0.000 0.460 32 R N 5.106 125.563 120.500 -0.072 0.000 2.198 32 R HA -0.204 4.137 4.340 0.001 0.000 0.258 32 R C 1.169 177.403 176.300 -0.111 0.000 1.173 32 R CA 2.252 58.307 56.100 -0.074 0.000 0.991 32 R CB -1.106 29.154 30.300 -0.067 0.000 0.879 32 R HN 0.683 8.953 8.270 -0.000 0.000 0.460 33 E N -0.221 119.908 120.200 -0.117 0.000 2.479 33 E HA 0.393 4.743 4.350 0.001 0.000 0.193 33 E C 0.405 176.905 176.600 -0.168 0.000 1.049 33 E CA 0.482 56.788 56.400 -0.156 0.000 0.870 33 E CB 0.557 30.194 29.700 -0.105 0.000 0.944 33 E HN 0.687 9.047 8.360 -0.000 0.000 0.492 34 A N 0.368 123.139 122.820 -0.083 0.000 2.309 34 A HA 0.266 4.586 4.320 0.001 0.000 0.290 34 A C -0.261 177.315 177.584 -0.014 0.000 1.206 34 A CA -0.408 51.648 52.037 0.032 0.000 0.850 34 A CB 0.062 19.179 19.000 0.195 0.000 1.118 34 A HN 0.189 8.339 8.150 -0.000 0.000 0.523 35 Y N 1.933 122.242 120.300 0.014 0.000 2.314 35 Y HA 0.168 4.718 4.550 0.001 0.000 0.293 35 Y C 0.609 176.520 175.900 0.019 0.000 1.129 35 Y CA 1.040 59.147 58.100 0.011 0.000 1.201 35 Y CB 0.168 38.630 38.460 0.003 0.000 0.999 35 Y HN 0.556 8.836 8.280 -0.000 0.000 0.541 36 L N -0.889 120.447 121.223 0.189 0.000 2.482 36 L HA 0.548 4.888 4.340 0.001 0.000 0.263 36 L C -1.125 175.783 176.870 0.064 0.000 0.957 36 L CA -0.410 54.497 54.840 0.111 0.000 0.836 36 L CB 2.226 44.350 42.059 0.108 0.000 1.324 36 L HN -0.235 7.995 8.230 -0.000 0.000 0.406 37 T N 4.395 118.966 114.554 0.029 0.000 2.847 37 T HA 0.649 5.000 4.350 0.001 0.000 0.291 37 T C -1.211 173.530 174.700 0.069 0.000 0.998 37 T CA -0.527 61.531 62.100 -0.069 0.000 0.967 37 T CB 1.256 70.078 68.868 -0.077 0.000 0.954 37 T HN 0.651 8.891 8.240 -0.000 0.000 0.441 38 Q N 2.140 121.896 119.800 -0.075 0.000 2.347 38 Q HA 0.673 5.013 4.340 0.001 0.000 0.271 38 Q C -1.109 174.666 176.000 -0.375 0.000 1.064 38 Q CA -1.325 54.459 55.803 -0.030 0.000 0.800 38 Q CB 2.008 30.747 28.738 0.002 0.000 1.304 38 Q HN 0.418 8.688 8.270 -0.000 0.000 0.438 39 L N 2.758 123.526 121.223 -0.757 0.000 2.455 39 L HA 0.266 4.606 4.340 0.001 0.000 0.272 39 L C -1.000 175.708 176.870 -0.270 0.000 1.174 39 L CA 0.734 55.133 54.840 -0.735 0.000 0.869 39 L CB 0.445 41.919 42.059 -0.976 0.000 1.130 39 L HN 0.715 8.945 8.230 -0.000 0.000 0.474 40 M N 6.071 125.580 119.600 -0.151 0.000 2.535 40 M HA 0.444 4.924 4.480 0.001 0.000 0.314 40 M C -0.790 175.448 176.300 -0.103 0.000 1.153 40 M CA -0.590 54.673 55.300 -0.061 0.000 0.924 40 M CB 1.916 34.523 32.600 0.011 0.000 1.710 40 M HN 0.442 8.732 8.290 -0.000 0.000 0.451 41 I N 3.217 123.644 120.570 -0.237 0.000 2.509 41 I HA 0.454 4.625 4.170 0.001 0.000 0.293 41 I C -0.983 174.914 176.117 -0.367 0.000 1.020 41 I CA -0.987 59.948 61.300 -0.609 0.000 1.088 41 I CB 1.756 39.275 38.000 -0.802 0.000 1.267 41 I HN 0.510 8.720 8.210 -0.000 0.000 0.430 42 I N 7.224 127.539 120.570 -0.424 0.000 2.428 42 I HA 0.332 4.503 4.170 0.001 0.000 0.289 42 I C 0.003 175.928 176.117 -0.321 0.000 1.019 42 I CA -0.473 60.596 61.300 -0.385 0.000 1.351 42 I CB 0.773 38.530 38.000 -0.405 0.000 1.412 42 I HN 0.320 8.530 8.210 -0.000 0.000 0.513 43 K N 3.893 124.137 120.400 -0.260 0.000 2.695 43 K HA 0.233 4.553 4.320 0.001 0.000 0.255 43 K C -0.061 176.447 176.600 -0.153 0.000 1.016 43 K CA -0.247 55.928 56.287 -0.186 0.000 0.928 43 K CB 1.212 33.619 32.500 -0.155 0.000 1.235 43 K HN 0.753 9.003 8.250 -0.000 0.000 0.467 44 N N 1.289 119.910 118.700 -0.130 0.000 2.681 44 N HA -0.218 4.523 4.740 0.001 0.000 0.259 44 N C 0.435 175.867 175.510 -0.129 0.000 1.066 44 N CA 1.814 54.802 53.050 -0.103 0.000 0.717 44 N CB -2.403 36.040 38.487 -0.073 0.000 0.885 44 N HN 1.352 9.732 8.380 -0.000 0.000 0.547 45 S N -3.199 112.396 115.700 -0.175 0.000 3.559 45 S HA 0.452 4.922 4.470 0.001 0.000 0.369 45 S C 1.263 175.727 174.600 -0.228 0.000 0.987 45 S CA 2.202 60.273 58.200 -0.215 0.000 1.187 45 S CB -1.992 61.122 63.200 -0.143 0.000 0.914 45 S HN 2.953 11.263 8.310 -0.000 0.000 0.480 46 T N 0.268 114.661 114.554 -0.269 0.000 3.172 46 T HA 0.598 4.949 4.350 0.001 0.000 0.320 46 T C -0.490 174.080 174.700 -0.216 0.000 1.085 46 T CA -0.524 61.457 62.100 -0.198 0.000 1.052 46 T CB 0.607 69.410 68.868 -0.107 0.000 1.107 46 T HN 0.504 8.744 8.240 -0.000 0.000 0.458 47 Y N 1.500 121.709 120.300 -0.152 0.000 2.359 47 Y HA 0.543 5.094 4.550 0.001 0.000 0.334 47 Y C 1.143 176.962 175.900 -0.135 0.000 1.058 47 Y CA -0.186 57.819 58.100 -0.158 0.000 1.244 47 Y CB 0.785 39.158 38.460 -0.144 0.000 1.187 47 Y HN 0.939 9.219 8.280 -0.000 0.000 0.510 48 R N 2.955 123.467 120.500 0.019 0.000 2.513 48 R HA 0.376 4.717 4.340 0.001 0.000 0.301 48 R C -0.619 175.657 176.300 -0.041 0.000 0.968 48 R CA -1.006 55.077 56.100 -0.028 0.000 0.872 48 R CB 0.500 30.763 30.300 -0.062 0.000 1.177 48 R HN 0.788 9.058 8.270 -0.000 0.000 0.444 49 E N 0.948 121.129 120.200 -0.032 0.000 2.452 49 E HA 0.340 4.690 4.350 0.001 0.000 0.261 49 E C -0.254 176.337 176.600 -0.016 0.000 0.987 49 E CA 0.661 57.044 56.400 -0.030 0.000 0.926 49 E CB 0.744 30.437 29.700 -0.012 0.000 0.934 49 E HN 0.587 8.947 8.360 -0.000 0.000 0.452 50 I N 0.722 121.290 120.570 -0.004 0.000 2.882 50 I HA 0.506 4.676 4.170 0.001 0.000 0.298 50 I C -0.378 175.776 176.117 0.063 0.000 1.462 50 I CA 0.115 61.436 61.300 0.035 0.000 1.000 50 I CB 1.642 39.670 38.000 0.047 0.000 1.340 50 I HN 0.727 8.937 8.210 -0.000 0.000 0.462 51 G N 2.821 111.669 108.800 0.081 0.000 2.698 51 G HA2 0.427 4.387 3.960 0.001 0.000 0.225 51 G HA3 0.427 4.387 3.960 0.001 0.000 0.225 51 G C -0.939 174.048 174.900 0.145 0.000 1.345 51 G CA -0.060 45.102 45.100 0.103 0.000 0.871 51 G HN 1.400 9.690 8.290 -0.000 0.000 0.540 52 R N -0.554 120.053 120.500 0.179 0.000 2.604 52 R HA 0.904 5.245 4.340 0.001 0.000 0.281 52 R C -0.028 176.310 176.300 0.063 0.000 1.020 52 R CA 0.198 56.372 56.100 0.123 0.000 0.899 52 R CB 1.494 31.820 30.300 0.044 0.000 1.205 52 R HN 1.512 9.782 8.270 -0.000 0.000 0.450 53 R N 1.468 121.927 120.500 -0.069 0.000 2.539 53 R HA 0.583 4.924 4.340 0.001 0.000 0.275 53 R C -0.356 175.789 176.300 -0.258 0.000 1.077 53 R CA -0.294 55.575 56.100 -0.385 0.000 1.097 53 R CB 0.378 30.471 30.300 -0.345 0.000 1.018 53 R HN 0.655 8.925 8.270 -0.000 0.000 0.483 54 L N 1.423 122.458 121.223 -0.314 0.000 2.347 54 L HA 0.634 4.974 4.340 0.001 0.000 0.268 54 L C 0.505 177.283 176.870 -0.153 0.000 1.019 54 L CA -1.106 53.624 54.840 -0.183 0.000 0.806 54 L CB 0.965 42.930 42.059 -0.156 0.000 1.339 54 L HN 0.612 8.842 8.230 -0.000 0.000 0.463 55 K N -0.509 119.830 120.400 -0.101 0.000 2.095 55 K HA 0.673 4.993 4.320 0.001 0.000 0.252 55 K C -0.305 176.256 176.600 -0.066 0.000 0.977 55 K CA -0.167 56.074 56.287 -0.077 0.000 0.900 55 K CB 0.383 32.850 32.500 -0.055 0.000 1.060 55 K HN 0.439 8.689 8.250 -0.000 0.000 0.449 56 F N -0.058 119.859 119.950 -0.054 0.000 2.487 56 F HA 0.498 5.026 4.527 0.001 0.000 0.364 56 F C 0.512 176.294 175.800 -0.030 0.000 1.126 56 F CA 0.261 58.236 58.000 -0.041 0.000 1.135 56 F CB -1.440 37.540 39.000 -0.035 0.000 1.127 56 F HN 1.379 9.679 8.300 -0.000 0.000 0.559 57 W N 1.606 122.890 121.300 -0.026 0.000 3.954 57 W HA 0.472 5.132 4.660 0.001 0.000 0.268 57 W C 0.051 176.561 176.519 -0.015 0.000 1.285 57 W CA -0.683 56.650 57.345 -0.019 0.000 1.240 57 W CB -0.266 29.181 29.460 -0.021 0.000 1.247 57 W HN 1.294 9.474 8.180 -0.000 0.000 0.553 58 N N -0.066 118.628 118.700 -0.010 0.000 2.857 58 N HA -0.227 4.514 4.740 0.001 0.000 0.242 58 N C -0.115 175.394 175.510 -0.001 0.000 0.983 58 N CA 2.257 55.303 53.050 -0.006 0.000 0.934 58 N CB -0.309 38.173 38.487 -0.008 0.000 1.115 58 N HN 0.839 9.219 8.380 -0.000 0.000 0.593 59 E N -2.972 117.228 120.200 0.000 0.000 2.396 59 E HA 0.321 4.671 4.350 0.001 0.000 0.280 59 E C -0.300 176.306 176.600 0.011 0.000 1.065 59 E CA -0.242 56.166 56.400 0.012 0.000 0.831 59 E CB 1.085 30.795 29.700 0.017 0.000 1.272 59 E HN -0.006 8.354 8.360 -0.000 0.000 0.443 60 T N -0.255 114.315 114.554 0.028 0.000 3.082 60 T HA 0.098 4.448 4.350 0.001 0.000 0.235 60 T C -0.484 174.234 174.700 0.029 0.000 0.991 60 T CA 0.082 62.196 62.100 0.023 0.000 1.220 60 T CB -0.081 68.806 68.868 0.032 0.000 0.909 60 T HN 0.429 8.669 8.240 -0.000 0.000 0.424 61 D N 3.317 123.758 120.400 0.068 0.000 2.586 61 D HA 0.064 4.704 4.640 0.001 0.000 0.234 61 D C -2.473 173.851 176.300 0.041 0.000 1.132 61 D CA -0.608 53.436 54.000 0.074 0.000 0.860 61 D CB 0.298 41.193 40.800 0.158 0.000 1.159 61 D HN 0.146 8.516 8.370 -0.000 0.000 0.490 62 P HA -0.044 4.376 4.420 -0.000 0.000 0.260 62 P C -0.320 176.952 177.300 -0.046 0.000 1.172 62 P CA 0.670 63.729 63.100 -0.069 0.000 0.760 62 P CB 0.537 32.229 31.700 -0.013 0.000 0.773 63 E N 2.292 122.365 120.200 -0.211 0.000 2.212 63 E HA 0.553 4.904 4.350 0.001 0.000 0.268 63 E C -0.680 175.720 176.600 -0.334 0.000 0.902 63 E CA -0.486 55.861 56.400 -0.088 0.000 0.779 63 E CB 1.118 30.790 29.700 -0.047 0.000 1.172 63 E HN 0.269 8.629 8.360 -0.000 0.000 0.409 64 F N 0.222 120.143 119.950 -0.049 0.000 2.654 64 F HA 0.602 5.129 4.527 0.001 0.000 0.334 64 F C -0.355 175.405 175.800 -0.068 0.000 1.078 64 F CA -1.028 56.938 58.000 -0.056 0.000 0.986 64 F CB 1.489 40.452 39.000 -0.061 0.000 1.362 64 F HN 0.172 8.472 8.300 -0.000 0.000 0.498 65 V N -0.108 119.890 119.914 0.140 0.000 2.817 65 V HA 0.651 4.771 4.120 0.001 0.000 0.303 65 V C -1.203 174.894 176.094 0.006 0.000 1.151 65 V CA -0.870 61.445 62.300 0.026 0.000 0.929 65 V CB 1.638 33.451 31.823 -0.016 0.000 1.030 65 V HN 0.658 8.848 8.190 -0.000 0.000 0.427 66 I N 4.399 124.939 120.570 -0.050 0.000 2.418 66 I HA 0.619 4.789 4.170 0.001 0.000 0.287 66 I C -0.749 175.309 176.117 -0.099 0.000 1.008 66 I CA -0.233 61.032 61.300 -0.058 0.000 1.104 66 I CB 1.941 39.892 38.000 -0.082 0.000 1.264 66 I HN 0.986 9.196 8.210 -0.000 0.000 0.438 67 D N 3.802 124.125 120.400 -0.129 0.000 2.592 67 D HA 0.291 4.932 4.640 0.001 0.000 0.259 67 D C 0.017 176.206 176.300 -0.184 0.000 1.144 67 D CA -0.559 53.289 54.000 -0.252 0.000 1.080 67 D CB 0.344 40.860 40.800 -0.473 0.000 1.225 67 D HN 0.484 8.854 8.370 -0.000 0.000 0.619 68 H N -0.771 118.287 119.070 -0.021 0.000 2.506 68 H HA -0.136 4.421 4.556 0.001 0.000 0.323 68 H C -0.033 175.278 175.328 -0.028 0.000 1.076 68 H CA 0.355 56.392 56.048 -0.020 0.000 1.108 68 H CB -1.529 28.226 29.762 -0.011 0.000 1.569 68 H HN 0.370 8.650 8.280 -0.000 0.000 0.399 69 M N 2.096 121.712 119.600 0.027 0.000 2.250 69 M HA 0.028 4.508 4.480 0.001 0.000 0.337 69 M C 1.065 177.357 176.300 -0.013 0.000 1.161 69 M CA 1.017 56.309 55.300 -0.014 0.000 1.088 69 M CB 0.475 33.036 32.600 -0.065 0.000 1.639 69 M HN 0.546 8.836 8.290 -0.000 0.000 0.447 70 D N 1.297 121.683 120.400 -0.022 0.000 2.677 70 D HA 0.424 5.064 4.640 0.001 0.000 0.298 70 D C 0.193 176.467 176.300 -0.044 0.000 1.250 70 D CA -0.487 53.494 54.000 -0.032 0.000 0.888 70 D CB 0.625 41.419 40.800 -0.011 0.000 1.397 70 D HN 0.405 8.775 8.370 -0.000 0.000 0.461 71 A N 0.743 123.536 122.820 -0.044 0.000 1.884 71 A HA -0.295 4.026 4.320 0.001 0.000 0.219 71 A C 1.648 179.213 177.584 -0.031 0.000 1.197 71 A CA 2.158 54.172 52.037 -0.038 0.000 0.637 71 A CB -1.097 17.892 19.000 -0.019 0.000 0.827 71 A HN 0.647 8.797 8.150 -0.000 0.000 0.450 72 N N 0.219 118.903 118.700 -0.026 0.000 2.192 72 N HA -0.167 4.574 4.740 0.001 0.000 0.188 72 N C 1.257 176.739 175.510 -0.046 0.000 1.013 72 N CA 1.646 54.675 53.050 -0.035 0.000 0.863 72 N CB -0.358 38.114 38.487 -0.025 0.000 0.990 72 N HN 0.637 9.017 8.380 -0.000 0.000 0.430 73 K N 0.290 120.679 120.400 -0.018 0.000 2.444 73 K HA 0.245 4.565 4.320 0.001 0.000 0.193 73 K C 0.393 177.024 176.600 0.052 0.000 1.024 73 K CA -0.168 56.138 56.287 0.032 0.000 1.077 73 K CB 0.508 33.044 32.500 0.061 0.000 0.833 73 K HN 0.080 8.330 8.250 -0.000 0.000 0.517 74 A N 1.294 124.094 122.820 -0.033 0.000 2.327 74 A HA 0.654 4.974 4.320 0.001 0.000 0.283 74 A C 0.570 178.034 177.584 -0.199 0.000 1.127 74 A CA 0.352 52.350 52.037 -0.063 0.000 0.810 74 A CB 0.574 19.540 19.000 -0.057 0.000 1.066 74 A HN 0.334 8.484 8.150 -0.000 0.000 0.492 75 G N 1.346 109.879 108.800 -0.446 0.000 2.302 75 G HA2 0.273 4.233 3.960 0.001 0.000 0.264 75 G HA3 0.273 4.233 3.960 0.001 0.000 0.264 75 G C -1.059 173.328 174.900 -0.855 0.000 1.335 75 G CA -0.896 43.528 45.100 -1.126 0.000 0.982 75 G HN 0.894 9.184 8.290 -0.000 0.000 0.473 76 R N -0.607 119.466 120.500 -0.712 0.000 2.410 76 R HA 0.693 5.034 4.340 0.001 0.000 0.288 76 R C -1.199 174.895 176.300 -0.343 0.000 1.051 76 R CA -0.201 55.686 56.100 -0.356 0.000 1.021 76 R CB 0.739 30.884 30.300 -0.258 0.000 1.032 76 R HN 0.469 8.739 8.270 -0.000 0.000 0.481 77 Y N 0.333 120.538 120.300 -0.159 0.000 2.499 77 Y HA 0.424 4.974 4.550 0.001 0.000 0.347 77 Y C 0.013 175.889 175.900 -0.040 0.000 0.987 77 Y CA -0.690 57.345 58.100 -0.108 0.000 1.044 77 Y CB 2.404 40.785 38.460 -0.131 0.000 1.245 77 Y HN 0.443 8.723 8.280 -0.000 0.000 0.461 78 Q N 0.585 120.469 119.800 0.140 0.000 2.511 78 Q HA 0.530 4.870 4.340 0.001 0.000 0.289 78 Q C -1.692 174.338 176.000 0.049 0.000 1.021 78 Q CA -0.862 55.032 55.803 0.152 0.000 0.785 78 Q CB 3.101 32.012 28.738 0.288 0.000 1.472 78 Q HN 0.689 8.959 8.270 -0.000 0.000 0.411 79 c N 1.443 120.049 118.600 0.009 0.000 2.329 79 c HA 0.360 4.931 4.570 0.001 0.000 0.329 79 c C -0.434 173.454 174.090 -0.338 0.000 1.275 79 c CA -0.037 56.135 56.329 -0.261 0.000 1.726 79 c CB 0.900 43.193 42.510 -0.361 0.000 2.291 79 c HN 0.710 8.940 8.230 -0.000 0.000 0.514 80 Q N 3.662 123.153 119.800 -0.514 0.000 2.340 80 Q HA 0.418 4.759 4.340 0.001 0.000 0.259 80 Q C -1.797 173.876 176.000 -0.545 0.000 0.964 80 Q CA -0.280 55.123 55.803 -0.666 0.000 0.900 80 Q CB 0.626 29.009 28.738 -0.593 0.000 1.228 80 Q HN 0.761 9.031 8.270 -0.000 0.000 0.449 81 Y N 2.643 122.745 120.300 -0.330 0.000 2.369 81 Y HA 0.318 4.868 4.550 0.001 0.000 0.337 81 Y C 0.027 175.897 175.900 -0.050 0.000 0.961 81 Y CA -0.841 57.179 58.100 -0.133 0.000 1.186 81 Y CB 0.998 39.383 38.460 -0.125 0.000 1.139 81 Y HN 0.495 8.775 8.280 -0.000 0.000 0.494 82 R N 5.353 125.946 120.500 0.154 0.000 2.248 82 R HA 0.298 4.638 4.340 0.001 0.000 0.337 82 R C 0.248 176.584 176.300 0.059 0.000 1.106 82 R CA -0.086 56.035 56.100 0.036 0.000 0.959 82 R CB -0.157 30.188 30.300 0.074 0.000 1.075 82 R HN 0.919 9.189 8.270 -0.000 0.000 0.480 83 I N 1.233 121.786 120.570 -0.029 0.000 3.864 83 I HA 0.474 4.644 4.170 0.001 0.000 0.326 83 I C 0.372 176.563 176.117 0.124 0.000 1.444 83 I CA -0.386 60.983 61.300 0.116 0.000 1.195 83 I CB 0.415 38.427 38.000 0.020 0.000 1.124 83 I HN 0.620 8.830 8.210 -0.000 0.000 0.407 84 G N 0.078 108.830 108.800 -0.079 0.000 2.340 84 G HA2 0.059 4.019 3.960 0.001 0.000 0.299 84 G HA3 0.059 4.019 3.960 0.001 0.000 0.299 84 G C -0.055 174.654 174.900 -0.318 0.000 1.291 84 G CA -0.162 44.804 45.100 -0.224 0.000 0.841 84 G HN 0.249 8.539 8.290 -0.000 0.000 0.500 85 H N -1.097 117.794 119.070 -0.298 0.000 2.293 85 H HA -0.062 4.494 4.556 0.001 0.000 0.300 85 H C 0.367 175.631 175.328 -0.107 0.000 1.082 85 H CA 1.897 57.830 56.048 -0.191 0.000 1.308 85 H CB 0.213 29.911 29.762 -0.105 0.000 1.375 85 H HN 0.263 8.543 8.280 -0.000 0.000 0.495 86 Y N -0.161 119.835 120.300 -0.506 0.000 2.629 86 Y HA 0.393 4.943 4.550 0.001 0.000 0.282 86 Y C -0.194 175.299 175.900 -0.679 0.000 0.994 86 Y CA 0.055 57.782 58.100 -0.622 0.000 1.126 86 Y CB 0.001 38.233 38.460 -0.380 0.000 1.187 86 Y HN 0.263 8.543 8.280 -0.000 0.000 0.600 87 R N 0.919 120.811 120.500 -1.012 0.000 2.513 87 R HA 0.809 5.149 4.340 0.001 0.000 0.301 87 R C -1.931 173.820 176.300 -0.915 0.000 0.968 87 R CA -0.217 55.466 56.100 -0.696 0.000 0.872 87 R CB 0.329 30.462 30.300 -0.277 0.000 1.177 87 R HN 0.223 8.493 8.270 -0.000 0.000 0.444 88 F N 0.559 120.405 119.950 -0.173 0.000 2.664 88 F HA 0.828 5.356 4.527 0.001 0.000 0.329 88 F C 0.592 176.283 175.800 -0.181 0.000 1.090 88 F CA -1.337 56.523 58.000 -0.233 0.000 0.978 88 F CB 2.333 41.079 39.000 -0.424 0.000 1.378 88 F HN 0.758 9.058 8.300 -0.000 0.000 0.495 89 R N -0.243 120.209 120.500 -0.081 0.000 2.680 89 R HA 0.698 5.038 4.340 0.001 0.000 0.269 89 R C -2.403 173.794 176.300 -0.172 0.000 1.026 89 R CA -0.999 55.090 56.100 -0.018 0.000 0.889 89 R CB 1.693 31.982 30.300 -0.018 0.000 1.241 89 R HN 0.595 8.865 8.270 -0.000 0.000 0.463 90 Y N 0.042 120.417 120.300 0.124 0.000 2.587 90 Y HA 0.491 5.042 4.550 0.001 0.000 0.337 90 Y C 0.827 176.842 175.900 0.192 0.000 1.065 90 Y CA -0.761 57.438 58.100 0.165 0.000 1.126 90 Y CB 2.118 40.603 38.460 0.042 0.000 1.279 90 Y HN 0.867 9.147 8.280 -0.000 0.000 0.489 91 S N -0.646 115.299 115.700 0.408 0.000 2.652 91 S HA 0.182 4.653 4.470 0.001 0.000 0.267 91 S C -0.075 174.640 174.600 0.191 0.000 1.201 91 S CA -0.812 57.548 58.200 0.267 0.000 0.996 91 S CB 0.775 64.115 63.200 0.232 0.000 1.054 91 S HN 0.721 9.031 8.310 -0.000 0.000 0.561 92 D N -0.137 120.349 120.400 0.143 0.000 2.380 92 D HA 0.218 4.858 4.640 0.001 0.000 0.254 92 D C -0.349 176.026 176.300 0.124 0.000 1.288 92 D CA 0.284 54.360 54.000 0.127 0.000 1.008 92 D CB 0.758 41.633 40.800 0.125 0.000 1.099 92 D HN 0.595 8.965 8.370 -0.000 0.000 0.537 93 T N 0.690 115.306 114.554 0.103 0.000 2.867 93 T HA 0.487 4.838 4.350 0.001 0.000 0.282 93 T C -0.177 174.577 174.700 0.090 0.000 1.000 93 T CA -0.512 61.642 62.100 0.091 0.000 1.042 93 T CB 1.107 70.013 68.868 0.062 0.000 0.973 93 T HN 0.271 8.511 8.240 -0.000 0.000 0.465 94 L N 2.085 123.364 121.223 0.092 0.000 2.354 94 L HA 0.662 5.003 4.340 0.001 0.000 0.269 94 L C -0.834 176.083 176.870 0.079 0.000 1.005 94 L CA -0.609 54.276 54.840 0.076 0.000 0.819 94 L CB 1.898 43.985 42.059 0.046 0.000 1.311 94 L HN 0.591 8.821 8.230 -0.000 0.000 0.423 95 E N 4.505 124.740 120.200 0.059 0.000 2.199 95 E HA 0.586 4.937 4.350 0.001 0.000 0.269 95 E C -1.492 175.106 176.600 -0.003 0.000 0.899 95 E CA -0.617 55.814 56.400 0.052 0.000 0.772 95 E CB 2.513 32.342 29.700 0.215 0.000 1.155 95 E HN 0.490 8.850 8.360 -0.000 0.000 0.408 96 L N 2.667 123.861 121.223 -0.048 0.000 2.386 96 L HA 0.570 4.911 4.340 0.001 0.000 0.271 96 L C -0.666 176.119 176.870 -0.142 0.000 0.993 96 L CA -1.225 53.536 54.840 -0.132 0.000 0.819 96 L CB 1.836 43.785 42.059 -0.184 0.000 1.294 96 L HN 0.355 8.585 8.230 -0.000 0.000 0.414 97 V N 1.072 120.777 119.914 -0.348 0.000 2.715 97 V HA 0.702 4.822 4.120 0.001 0.000 0.310 97 V C -0.427 175.327 176.094 -0.567 0.000 1.054 97 V CA -0.673 61.276 62.300 -0.585 0.000 0.928 97 V CB 2.054 33.020 31.823 -1.428 0.000 1.007 97 V HN 0.407 8.597 8.190 -0.000 0.000 0.437 98 V N 3.826 123.461 119.914 -0.464 0.000 2.483 98 V HA 0.692 4.812 4.120 0.001 0.000 0.295 98 V C 0.606 176.472 176.094 -0.379 0.000 1.035 98 V CA 0.284 62.375 62.300 -0.348 0.000 0.896 98 V CB 1.950 33.640 31.823 -0.223 0.000 0.986 98 V HN 1.245 9.435 8.190 -0.000 0.000 0.447 99 T N 0.069 114.429 114.554 -0.323 0.000 2.940 99 T HA 0.717 5.068 4.350 0.001 0.000 0.288 99 T C 0.650 175.126 174.700 -0.374 0.000 1.033 99 T CA -0.059 61.885 62.100 -0.261 0.000 1.033 99 T CB 1.698 70.472 68.868 -0.157 0.000 1.079 99 T HN 1.782 10.022 8.240 -0.000 0.000 0.496 100 G N 0.408 108.867 108.800 -0.567 0.000 2.141 100 G HA2 -0.161 3.800 3.960 0.001 0.000 0.195 100 G HA3 -0.161 3.800 3.960 0.001 0.000 0.195 100 G C 0.294 174.727 174.900 -0.778 0.000 1.012 100 G CA 0.092 44.398 45.100 -1.322 0.000 0.696 100 G HN 0.790 9.080 8.290 -0.000 0.000 0.508 101 L N -1.394 119.516 121.223 -0.521 0.000 2.664 101 L HA 0.434 4.775 4.340 0.001 0.000 0.233 101 L C 0.675 177.373 176.870 -0.288 0.000 1.113 101 L CA -0.015 54.548 54.840 -0.463 0.000 0.896 101 L CB 0.148 41.797 42.059 -0.684 0.000 1.163 101 L HN 0.363 8.593 8.230 -0.000 0.000 0.497 102 Y N -0.859 119.601 120.300 0.268 0.000 2.588 102 Y HA 0.596 5.147 4.550 0.001 0.000 0.343 102 Y C 0.783 177.012 175.900 0.547 0.000 1.065 102 Y CA -1.351 57.007 58.100 0.430 0.000 1.038 102 Y CB 1.093 39.922 38.460 0.614 0.000 1.297 102 Y HN -0.152 8.128 8.280 -0.000 0.000 0.467 103 G N 0.531 109.724 108.800 0.656 0.000 2.544 103 G HA2 0.410 4.371 3.960 0.001 0.000 0.242 103 G HA3 0.410 4.371 3.960 0.001 0.000 0.242 103 G C -0.294 174.940 174.900 0.557 0.000 1.247 103 G CA -0.335 45.079 45.100 0.523 0.000 0.840 103 G HN 0.778 9.068 8.290 -0.000 0.000 0.578 104 K N 1.772 122.423 120.400 0.418 0.000 2.355 104 K HA 0.486 4.806 4.320 0.001 0.000 0.270 104 K C -2.268 174.535 176.600 0.339 0.000 1.003 104 K CA -0.763 55.733 56.287 0.348 0.000 0.957 104 K CB -0.164 32.478 32.500 0.236 0.000 0.939 104 K HN 0.562 8.812 8.250 -0.000 0.000 0.482 105 P HA 0.550 4.970 4.420 -0.000 0.000 0.287 105 P C -1.202 176.273 177.300 0.292 0.000 1.296 105 P CA -0.706 62.609 63.100 0.358 0.000 0.811 105 P CB 0.501 32.431 31.700 0.383 0.000 1.211 106 F N 0.727 120.739 119.950 0.103 0.000 2.482 106 F HA 0.590 5.118 4.527 0.001 0.000 0.331 106 F C -1.241 174.566 175.800 0.011 0.000 1.115 106 F CA -0.997 57.030 58.000 0.045 0.000 0.955 106 F CB 0.958 39.979 39.000 0.034 0.000 1.136 106 F HN 0.026 8.326 8.300 -0.000 0.000 0.452 107 L N 5.792 126.556 121.223 -0.765 0.000 2.334 107 L HA 0.816 5.157 4.340 0.001 0.000 0.276 107 L C -0.745 175.639 176.870 -0.809 0.000 1.014 107 L CA 0.061 54.564 54.840 -0.562 0.000 0.815 107 L CB 1.609 43.462 42.059 -0.343 0.000 1.268 107 L HN 0.750 8.980 8.230 -0.000 0.000 0.428 108 S N 2.898 118.367 115.700 -0.384 0.000 2.727 108 S HA 1.014 5.484 4.470 0.001 0.000 0.278 108 S C -1.043 173.492 174.600 -0.109 0.000 1.186 108 S CA -0.297 57.770 58.200 -0.220 0.000 0.836 108 S CB 1.081 64.272 63.200 -0.014 0.000 1.186 108 S HN 1.232 9.542 8.310 -0.000 0.000 0.499 109 A N 0.353 123.140 122.820 -0.055 0.000 2.556 109 A HA 0.732 5.053 4.320 0.001 0.000 0.294 109 A C -0.933 176.640 177.584 -0.018 0.000 1.091 109 A CA -0.239 51.771 52.037 -0.046 0.000 0.704 109 A CB 1.303 20.267 19.000 -0.060 0.000 1.300 109 A HN 0.964 9.114 8.150 -0.000 0.000 0.406 110 D N 0.234 120.622 120.400 -0.020 0.000 2.491 110 D HA 0.238 4.879 4.640 0.001 0.000 0.228 110 D C 0.497 176.790 176.300 -0.011 0.000 1.183 110 D CA 0.019 54.012 54.000 -0.011 0.000 0.827 110 D CB 0.287 41.078 40.800 -0.014 0.000 0.989 110 D HN 0.458 8.828 8.370 -0.000 0.000 0.494 111 R N -1.268 119.224 120.500 -0.013 0.000 3.591 111 R HA 0.614 4.954 4.340 0.001 0.000 0.246 111 R C -0.456 175.839 176.300 -0.008 0.000 1.222 111 R CA -0.842 55.252 56.100 -0.011 0.000 0.940 111 R CB 0.771 31.061 30.300 -0.017 0.000 1.529 111 R HN 0.065 8.335 8.270 -0.000 0.000 0.441 112 G N 0.813 109.608 108.800 -0.008 0.000 2.416 112 G HA2 0.420 4.380 3.960 0.001 0.000 0.324 112 G HA3 0.420 4.380 3.960 0.001 0.000 0.324 112 G C 0.560 175.456 174.900 -0.008 0.000 1.194 112 G CA -0.537 44.561 45.100 -0.004 0.000 0.922 112 G HN 0.358 8.648 8.290 -0.000 0.000 0.467 113 L N 1.475 122.695 121.223 -0.006 0.000 2.549 113 L HA 0.004 4.345 4.340 0.001 0.000 0.230 113 L C 0.322 177.194 176.870 0.003 0.000 1.162 113 L CA 0.429 55.265 54.840 -0.006 0.000 0.834 113 L CB -0.535 41.523 42.059 -0.001 0.000 0.947 113 L HN 0.159 8.389 8.230 -0.000 0.000 0.452 114 V N 1.250 121.167 119.914 0.004 0.000 2.495 114 V HA 0.544 4.665 4.120 0.001 0.000 0.298 114 V C -0.387 175.709 176.094 0.004 0.000 1.031 114 V CA -0.709 61.596 62.300 0.007 0.000 0.871 114 V CB 1.831 33.659 31.823 0.008 0.000 0.988 114 V HN 0.097 8.287 8.190 -0.000 0.000 0.432 115 L N 2.490 123.716 121.223 0.005 0.000 2.582 115 L HA 0.691 5.032 4.340 0.001 0.000 0.257 115 L C -0.617 176.256 176.870 0.004 0.000 0.974 115 L CA -0.912 53.930 54.840 0.003 0.000 0.851 115 L CB 1.484 43.542 42.059 -0.002 0.000 1.424 115 L HN 0.327 8.557 8.230 -0.000 0.000 0.412 116 M N 1.298 120.899 119.600 0.003 0.000 2.245 116 M HA 0.348 4.829 4.480 0.001 0.000 0.330 116 M C -2.119 174.183 176.300 0.003 0.000 1.098 116 M CA -1.193 54.108 55.300 0.003 0.000 1.172 116 M CB -0.205 32.396 32.600 0.002 0.000 1.467 116 M HN 0.485 8.775 8.290 -0.000 0.000 0.454 117 P HA 0.156 4.576 4.420 -0.000 0.000 0.271 117 P C 0.788 178.089 177.300 0.003 0.000 1.233 117 P CA 0.609 63.712 63.100 0.005 0.000 0.789 117 P CB 0.427 32.130 31.700 0.005 0.000 0.951 118 G N -0.791 108.010 108.800 0.002 0.000 2.353 118 G HA2 -0.299 3.661 3.960 0.001 0.000 0.258 118 G HA3 -0.299 3.661 3.960 0.001 0.000 0.258 118 G C 0.258 175.157 174.900 -0.001 0.000 1.013 118 G CA 0.148 45.248 45.100 0.001 0.000 0.622 118 G HN 0.586 8.876 8.290 -0.000 0.000 0.535 119 E N 1.068 121.267 120.200 -0.001 0.000 2.422 119 E HA 0.258 4.609 4.350 0.001 0.000 0.260 119 E C -0.024 176.573 176.600 -0.006 0.000 1.108 119 E CA 0.015 56.413 56.400 -0.004 0.000 0.943 119 E CB 0.227 29.925 29.700 -0.004 0.000 0.961 119 E HN 0.401 8.761 8.360 -0.000 0.000 0.443 120 N N 1.518 120.213 118.700 -0.008 0.000 2.361 120 N HA 0.561 5.301 4.740 0.001 0.000 0.302 120 N C -0.684 174.817 175.510 -0.014 0.000 1.074 120 N CA -0.414 52.630 53.050 -0.009 0.000 0.850 120 N CB 1.943 40.425 38.487 -0.007 0.000 1.228 120 N HN 0.413 8.793 8.380 -0.000 0.000 0.491 121 I N -0.071 120.487 120.570 -0.019 0.000 2.842 121 I HA 0.308 4.479 4.170 0.001 0.000 0.297 121 I C -1.276 174.826 176.117 -0.026 0.000 1.380 121 I CA -0.439 60.844 61.300 -0.028 0.000 1.018 121 I CB 1.791 39.765 38.000 -0.042 0.000 1.311 121 I HN 0.612 8.822 8.210 -0.000 0.000 0.439 122 S N 6.728 122.413 115.700 -0.025 0.000 2.526 122 S HA 0.732 5.203 4.470 0.001 0.000 0.293 122 S C -1.025 173.561 174.600 -0.023 0.000 1.092 122 S CA -0.862 57.333 58.200 -0.008 0.000 0.980 122 S CB 1.939 65.134 63.200 -0.008 0.000 1.048 122 S HN 0.523 8.833 8.310 -0.000 0.000 0.483 123 L N 2.225 123.450 121.223 0.003 0.000 2.322 123 L HA 0.612 4.952 4.340 0.001 0.000 0.279 123 L C -0.174 176.717 176.870 0.036 0.000 1.036 123 L CA -0.584 54.242 54.840 -0.022 0.000 0.807 123 L CB 1.815 43.821 42.059 -0.087 0.000 1.226 123 L HN 0.751 8.981 8.230 -0.000 0.000 0.433 124 T N -0.164 114.374 114.554 -0.027 0.000 2.807 124 T HA 0.314 4.665 4.350 0.001 0.000 0.279 124 T C -0.757 173.889 174.700 -0.090 0.000 0.993 124 T CA -0.494 61.568 62.100 -0.064 0.000 0.970 124 T CB 1.621 70.450 68.868 -0.064 0.000 0.950 124 T HN 0.589 8.829 8.240 -0.000 0.000 0.441 125 c N 3.156 121.647 118.600 -0.182 0.000 2.316 125 c HA 0.808 5.379 4.570 0.001 0.000 0.324 125 c C 0.762 174.605 174.090 -0.412 0.000 1.226 125 c CA -0.184 56.005 56.329 -0.232 0.000 1.450 125 c CB -1.158 41.260 42.510 -0.153 0.000 2.123 125 c HN 1.190 9.420 8.230 -0.000 0.000 0.454 126 S N 2.604 118.257 115.700 -0.078 0.000 2.745 126 S HA 0.860 5.331 4.470 0.001 0.000 0.292 126 S C 0.094 174.827 174.600 0.222 0.000 1.127 126 S CA -0.324 57.886 58.200 0.015 0.000 1.007 126 S CB 0.912 64.161 63.200 0.083 0.000 1.165 126 S HN 1.313 9.623 8.310 -0.000 0.000 0.544 127 S N -0.506 115.323 115.700 0.215 0.000 2.828 127 S HA 0.439 4.910 4.470 0.001 0.000 0.149 127 S C -0.261 174.398 174.600 0.100 0.000 0.924 127 S CA 0.259 58.606 58.200 0.246 0.000 1.044 127 S CB -0.627 62.830 63.200 0.429 0.000 1.595 127 S HN 1.704 10.014 8.310 -0.000 0.000 0.454 128 A N 2.340 125.198 122.820 0.063 0.000 2.558 128 A HA 0.499 4.820 4.320 0.001 0.000 0.235 128 A C 1.171 178.753 177.584 -0.003 0.000 1.677 128 A CA 1.764 53.810 52.037 0.014 0.000 1.531 128 A CB -1.524 17.475 19.000 -0.002 0.000 0.841 128 A HN 1.768 9.918 8.150 -0.000 0.000 0.631 129 H N -2.162 116.895 119.070 -0.022 0.000 1.790 129 H HA 0.413 4.969 4.556 0.001 0.000 0.117 129 H C 0.830 176.091 175.328 -0.113 0.000 1.193 129 H CA 0.465 56.486 56.048 -0.046 0.000 0.590 129 H CB -0.567 29.184 29.762 -0.017 0.000 0.363 129 H HN 1.262 9.542 8.280 -0.000 0.000 0.217 130 I N 2.591 123.039 120.570 -0.203 0.000 2.308 130 I HA 0.618 4.789 4.170 0.001 0.000 0.293 130 I C -2.402 173.373 176.117 -0.570 0.000 1.078 130 I CA -1.841 59.176 61.300 -0.471 0.000 1.292 130 I CB 0.110 37.590 38.000 -0.867 0.000 1.423 130 I HN 0.377 8.587 8.210 -0.000 0.000 0.493 131 P HA 0.222 4.642 4.420 -0.000 0.000 0.235 131 P C -0.564 176.662 177.300 -0.122 0.000 1.720 131 P CA 0.028 63.013 63.100 -0.191 0.000 1.003 131 P CB -0.840 30.803 31.700 -0.095 0.000 1.968 132 F N 0.789 120.597 119.950 -0.236 0.000 2.608 132 F HA -0.066 4.461 4.527 0.001 0.000 0.380 132 F C 1.793 177.363 175.800 -0.384 0.000 1.083 132 F CA 0.194 57.795 58.000 -0.665 0.000 1.266 132 F CB 0.423 38.806 39.000 -1.028 0.000 1.076 132 F HN 0.164 8.464 8.300 -0.000 0.000 0.574 133 D N 2.405 122.775 120.400 -0.050 0.000 2.097 133 D HA -0.058 4.582 4.640 0.001 0.000 0.197 133 D C 0.855 177.009 176.300 -0.243 0.000 0.984 133 D CA 1.578 55.572 54.000 -0.010 0.000 0.826 133 D CB 0.200 41.057 40.800 0.095 0.000 0.973 133 D HN 0.522 8.892 8.370 -0.000 0.000 0.460 134 R N -1.550 118.563 120.500 -0.644 0.000 2.885 134 R HA 0.571 4.911 4.340 0.001 0.000 0.260 134 R C -1.080 174.545 176.300 -1.125 0.000 1.107 134 R CA -0.738 54.834 56.100 -0.879 0.000 0.978 134 R CB 1.428 30.834 30.300 -1.491 0.000 1.227 134 R HN -0.150 8.120 8.270 -0.000 0.000 0.473 135 F N -0.729 118.835 119.950 -0.643 0.000 2.599 135 F HA 0.496 5.023 4.527 0.001 0.000 0.311 135 F C -0.261 175.500 175.800 -0.064 0.000 1.076 135 F CA -0.624 57.192 58.000 -0.307 0.000 0.937 135 F CB 2.713 41.681 39.000 -0.054 0.000 1.282 135 F HN 0.227 8.527 8.300 -0.000 0.000 0.460 136 S N 2.109 117.903 115.700 0.157 0.000 2.521 136 S HA 0.660 5.130 4.470 0.001 0.000 0.295 136 S C -1.656 172.868 174.600 -0.126 0.000 1.098 136 S CA -0.498 57.735 58.200 0.056 0.000 0.999 136 S CB 1.772 64.816 63.200 -0.260 0.000 1.034 136 S HN 0.503 8.813 8.310 -0.000 0.000 0.483 137 L N 3.767 124.708 121.223 -0.471 0.000 2.282 137 L HA 0.883 5.224 4.340 0.001 0.000 0.288 137 L C -0.330 176.493 176.870 -0.079 0.000 1.033 137 L CA -0.154 54.339 54.840 -0.579 0.000 0.807 137 L CB 0.780 42.086 42.059 -1.255 0.000 1.209 137 L HN 0.709 8.939 8.230 -0.000 0.000 0.423 138 A N 4.671 127.523 122.820 0.054 0.000 2.374 138 A HA 0.692 5.013 4.320 0.001 0.000 0.317 138 A C -0.967 176.644 177.584 0.045 0.000 1.094 138 A CA -0.796 51.329 52.037 0.148 0.000 0.765 138 A CB 1.049 20.245 19.000 0.326 0.000 1.268 138 A HN 0.697 8.847 8.150 -0.000 0.000 0.438 139 K N 1.615 121.981 120.400 -0.056 0.000 2.389 139 K HA 0.261 4.582 4.320 0.001 0.000 0.261 139 K C 0.357 176.855 176.600 -0.170 0.000 1.014 139 K CA -0.502 55.587 56.287 -0.330 0.000 0.920 139 K CB 0.616 32.865 32.500 -0.418 0.000 1.149 139 K HN 0.672 8.922 8.250 -0.000 0.000 0.444 140 E N 2.714 122.823 120.200 -0.152 0.000 2.132 140 E HA -0.268 4.082 4.350 0.001 0.000 0.218 140 E C 1.645 178.211 176.600 -0.056 0.000 1.058 140 E CA 2.192 58.553 56.400 -0.066 0.000 0.882 140 E CB -0.519 29.143 29.700 -0.063 0.000 0.774 140 E HN 0.955 9.315 8.360 -0.000 0.000 0.467 141 G N 2.269 111.017 108.800 -0.087 0.000 2.529 141 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 141 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 141 G C 0.524 175.399 174.900 -0.042 0.000 1.177 141 G CA 0.680 45.744 45.100 -0.060 0.000 0.773 141 G HN 0.202 8.492 8.290 -0.000 0.000 0.573 142 E N 0.086 120.256 120.200 -0.049 0.000 2.892 142 E HA -0.062 4.288 4.350 0.001 0.000 0.273 142 E C 0.024 176.620 176.600 -0.008 0.000 0.921 142 E CA 0.413 56.799 56.400 -0.024 0.000 0.968 142 E CB 0.524 30.214 29.700 -0.017 0.000 0.941 142 E HN 0.242 8.602 8.360 -0.000 0.000 0.492 143 L N 3.216 124.436 121.223 -0.006 0.000 2.475 143 L HA 0.108 4.449 4.340 0.001 0.000 0.253 143 L C 0.264 177.134 176.870 0.000 0.000 1.137 143 L CA -0.056 54.780 54.840 -0.006 0.000 1.058 143 L CB -0.304 41.748 42.059 -0.011 0.000 1.382 143 L HN 0.667 8.897 8.230 -0.000 0.000 0.416 144 S N 1.273 116.978 115.700 0.008 0.000 2.764 144 S HA 0.366 4.836 4.470 0.001 0.000 0.289 144 S C -1.546 173.071 174.600 0.028 0.000 1.235 144 S CA -0.872 57.338 58.200 0.017 0.000 1.081 144 S CB 1.137 64.356 63.200 0.030 0.000 1.319 144 S HN 0.089 8.399 8.310 -0.000 0.000 0.492 145 L N 2.427 123.681 121.223 0.052 0.000 2.280 145 L HA 0.700 5.040 4.340 0.001 0.000 0.287 145 L C -2.775 174.196 176.870 0.168 0.000 1.023 145 L CA -1.837 53.054 54.840 0.084 0.000 0.819 145 L CB 0.646 42.747 42.059 0.070 0.000 1.212 145 L HN 0.497 8.727 8.230 -0.000 0.000 0.420 146 P HA 0.057 4.477 4.420 -0.000 0.000 0.258 146 P C -0.369 177.111 177.300 0.301 0.000 1.187 146 P CA 0.204 63.479 63.100 0.293 0.000 0.767 146 P CB 0.423 32.365 31.700 0.404 0.000 0.770 147 Q N 0.817 120.766 119.800 0.248 0.000 2.392 147 Q HA -0.014 4.327 4.340 0.001 0.000 0.219 147 Q C 0.275 176.454 176.000 0.298 0.000 0.895 147 Q CA 0.450 56.403 55.803 0.251 0.000 0.929 147 Q CB -0.101 28.753 28.738 0.193 0.000 1.077 147 Q HN 0.566 8.836 8.270 -0.000 0.000 0.532 148 H N 3.231 122.404 119.070 0.173 0.000 3.232 148 H HA 0.106 4.663 4.556 0.001 0.000 0.254 148 H C -0.052 175.476 175.328 0.333 0.000 1.213 148 H CA 0.275 56.446 56.048 0.206 0.000 1.503 148 H CB -0.234 29.616 29.762 0.146 0.000 1.563 148 H HN 0.097 8.377 8.280 -0.000 0.000 0.490 149 Q N 2.180 122.137 119.800 0.261 0.000 2.633 149 Q HA 0.675 5.015 4.340 0.001 0.000 0.292 149 Q C -1.178 174.806 176.000 -0.026 0.000 1.089 149 Q CA -1.307 54.656 55.803 0.267 0.000 0.811 149 Q CB 2.032 30.868 28.738 0.164 0.000 1.472 149 Q HN 0.529 8.799 8.270 -0.000 0.000 0.464 150 S N -1.813 113.743 115.700 -0.240 0.000 2.542 150 S HA 0.528 4.999 4.470 0.001 0.000 0.276 150 S C -0.158 174.263 174.600 -0.297 0.000 1.148 150 S CA -0.220 57.738 58.200 -0.405 0.000 0.886 150 S CB 1.199 63.909 63.200 -0.815 0.000 1.109 150 S HN 0.887 9.197 8.310 -0.000 0.000 0.458 151 G N 0.589 109.246 108.800 -0.239 0.000 2.887 151 G HA2 0.212 4.173 3.960 0.001 0.000 0.211 151 G HA3 0.212 4.173 3.960 0.001 0.000 0.211 151 G C 0.132 174.976 174.900 -0.093 0.000 1.152 151 G CA -0.315 44.678 45.100 -0.178 0.000 0.769 151 G HN 0.769 9.059 8.290 -0.000 0.000 0.541 152 E N 0.172 120.281 120.200 -0.153 0.000 2.558 152 E HA 0.015 4.365 4.350 0.001 0.000 0.255 152 E C 0.722 177.318 176.600 -0.008 0.000 0.968 152 E CA -0.041 56.279 56.400 -0.133 0.000 0.939 152 E CB 0.440 30.026 29.700 -0.190 0.000 0.921 152 E HN 0.503 8.863 8.360 -0.000 0.000 0.477 153 H N 3.184 122.217 119.070 -0.060 0.000 2.353 153 H HA -0.103 4.454 4.556 0.001 0.000 0.300 153 H C -0.631 174.639 175.328 -0.098 0.000 1.090 153 H CA 0.645 56.687 56.048 -0.010 0.000 1.327 153 H CB -0.474 29.288 29.762 0.000 0.000 1.383 153 H HN 0.469 8.749 8.280 -0.000 0.000 0.508 154 P HA -0.011 4.409 4.420 -0.000 0.000 0.222 154 P C -0.223 176.943 177.300 -0.223 0.000 1.147 154 P CA 1.275 64.323 63.100 -0.087 0.000 0.790 154 P CB 0.323 31.978 31.700 -0.075 0.000 0.780 155 A N 0.190 122.829 122.820 -0.301 0.000 2.026 155 A HA -0.159 4.161 4.320 0.001 0.000 0.259 155 A C 0.050 177.335 177.584 -0.497 0.000 1.374 155 A CA 0.040 51.756 52.037 -0.535 0.000 0.717 155 A CB -2.468 15.984 19.000 -0.914 0.000 1.187 155 A HN 0.337 8.487 8.150 -0.000 0.000 0.296 156 N N 1.325 119.735 118.700 -0.483 0.000 2.425 156 N HA 0.662 5.403 4.740 0.001 0.000 0.268 156 N C -1.150 174.068 175.510 -0.487 0.000 0.991 156 N CA -0.305 52.532 53.050 -0.355 0.000 0.931 156 N CB 0.461 38.823 38.487 -0.208 0.000 1.130 156 N HN 0.358 8.738 8.380 -0.000 0.000 0.493 157 F N 1.787 121.661 119.950 -0.126 0.000 2.359 157 F HA 0.285 4.812 4.527 0.001 0.000 0.369 157 F C 0.688 176.518 175.800 0.049 0.000 1.084 157 F CA -0.597 57.354 58.000 -0.082 0.000 1.096 157 F CB 1.141 40.058 39.000 -0.138 0.000 1.335 157 F HN 0.225 8.525 8.300 -0.000 0.000 0.457 158 S N 3.014 118.854 115.700 0.233 0.000 2.632 158 S HA 0.497 4.968 4.470 0.001 0.000 0.267 158 S C 0.261 174.944 174.600 0.138 0.000 1.276 158 S CA -0.420 57.860 58.200 0.134 0.000 0.998 158 S CB 1.289 64.531 63.200 0.070 0.000 0.953 158 S HN 0.511 8.821 8.310 -0.000 0.000 0.547 159 L N 1.468 122.716 121.223 0.042 0.000 3.439 159 L HA 0.338 4.679 4.340 0.001 0.000 0.313 159 L C 1.241 178.106 176.870 -0.010 0.000 1.292 159 L CA 0.064 54.900 54.840 -0.006 0.000 1.020 159 L CB -0.364 41.675 42.059 -0.033 0.000 1.424 159 L HN 0.943 9.173 8.230 -0.000 0.000 0.612 160 G N 1.296 110.096 108.800 0.001 0.000 2.551 160 G HA2 -0.301 3.660 3.960 0.001 0.000 0.383 160 G HA3 -0.301 3.660 3.960 0.001 0.000 0.383 160 G C -2.196 172.701 174.900 -0.004 0.000 1.370 160 G CA -0.438 44.661 45.100 -0.001 0.000 0.940 160 G HN 0.217 8.507 8.290 -0.000 0.000 0.524 161 P HA 0.334 4.754 4.420 -0.000 0.000 0.264 161 P C 0.426 177.726 177.300 -0.001 0.000 1.236 161 P CA 0.040 63.139 63.100 -0.002 0.000 0.811 161 P CB 0.485 32.185 31.700 -0.001 0.000 0.840 162 V N 1.852 121.766 119.914 -0.001 0.000 2.811 162 V HA 0.392 4.512 4.120 0.001 0.000 0.302 162 V C 0.168 176.267 176.094 0.008 0.000 1.063 162 V CA -0.191 62.112 62.300 0.004 0.000 1.088 162 V CB 0.852 32.677 31.823 0.004 0.000 0.982 162 V HN 0.478 8.668 8.190 -0.000 0.000 0.485 163 D N 3.153 123.562 120.400 0.014 0.000 2.547 163 D HA 0.319 4.960 4.640 0.001 0.000 0.231 163 D C 0.934 177.246 176.300 0.019 0.000 1.099 163 D CA -0.880 53.128 54.000 0.013 0.000 0.901 163 D CB 2.228 43.034 40.800 0.010 0.000 1.478 163 D HN 0.406 8.776 8.370 -0.000 0.000 0.471 164 L N 0.310 121.542 121.223 0.016 0.000 2.302 164 L HA -0.362 3.978 4.340 0.001 0.000 0.218 164 L C 2.531 179.414 176.870 0.021 0.000 1.100 164 L CA 2.254 57.104 54.840 0.017 0.000 0.774 164 L CB -1.414 40.652 42.059 0.011 0.000 0.896 164 L HN 0.714 8.944 8.230 -0.000 0.000 0.439 165 N N -0.359 118.354 118.700 0.021 0.000 2.457 165 N HA -0.000 4.740 4.740 0.001 0.000 0.180 165 N C 1.741 177.276 175.510 0.042 0.000 1.050 165 N CA 1.228 54.291 53.050 0.021 0.000 0.906 165 N CB -0.431 38.064 38.487 0.014 0.000 0.968 165 N HN 0.169 8.549 8.380 -0.000 0.000 0.445 166 V N 0.773 120.726 119.914 0.065 0.000 2.667 166 V HA -0.036 4.084 4.120 0.001 0.000 0.252 166 V C 1.186 177.391 176.094 0.185 0.000 1.065 166 V CA 0.442 62.822 62.300 0.134 0.000 1.083 166 V CB -0.708 31.174 31.823 0.098 0.000 0.692 166 V HN 0.475 8.665 8.190 -0.000 0.000 0.468 167 S N -0.045 115.717 115.700 0.103 0.000 2.558 167 S HA 0.434 4.905 4.470 0.001 0.000 0.287 167 S C 0.529 175.164 174.600 0.058 0.000 1.321 167 S CA 0.775 59.030 58.200 0.093 0.000 1.048 167 S CB 0.442 63.668 63.200 0.044 0.000 0.844 167 S HN 0.971 9.281 8.310 -0.000 0.000 0.512 168 G N 0.710 109.542 108.800 0.053 0.000 2.361 168 G HA2 0.195 4.155 3.960 0.001 0.000 0.331 168 G HA3 0.195 4.155 3.960 0.001 0.000 0.331 168 G C -1.696 173.169 174.900 -0.058 0.000 1.324 168 G CA -1.125 43.935 45.100 -0.066 0.000 0.984 168 G HN 0.566 8.856 8.290 -0.000 0.000 0.586 169 I N 0.691 121.175 120.570 -0.143 0.000 2.353 169 I HA 0.578 4.748 4.170 0.001 0.000 0.293 169 I C -0.522 175.486 176.117 -0.182 0.000 0.992 169 I CA -0.535 60.728 61.300 -0.062 0.000 1.268 169 I CB 1.123 39.099 38.000 -0.039 0.000 1.387 169 I HN 0.434 8.644 8.210 -0.000 0.000 0.478 170 Y N 5.529 125.794 120.300 -0.058 0.000 2.446 170 Y HA 0.727 5.278 4.550 0.001 0.000 0.338 170 Y C 0.219 176.046 175.900 -0.122 0.000 1.055 170 Y CA -0.829 57.221 58.100 -0.083 0.000 1.101 170 Y CB 1.488 39.887 38.460 -0.102 0.000 1.221 170 Y HN 0.338 8.618 8.280 -0.000 0.000 0.460 171 R N 1.022 121.523 120.500 0.002 0.000 2.795 171 R HA 0.640 4.980 4.340 0.001 0.000 0.275 171 R C -1.424 174.729 176.300 -0.246 0.000 0.981 171 R CA -0.724 55.286 56.100 -0.151 0.000 0.917 171 R CB 2.338 32.514 30.300 -0.206 0.000 1.202 171 R HN 0.839 9.109 8.270 -0.000 0.000 0.469 172 c N 1.987 120.393 118.600 -0.325 0.000 2.529 172 c HA 0.762 5.333 4.570 0.001 0.000 0.329 172 c C -1.070 172.804 174.090 -0.360 0.000 1.194 172 c CA -0.505 55.669 56.329 -0.258 0.000 1.779 172 c CB 0.572 43.020 42.510 -0.104 0.000 2.322 172 c HN 0.763 8.993 8.230 -0.000 0.000 0.500 173 Y N 2.594 122.861 120.300 -0.054 0.000 2.536 173 Y HA 0.516 5.067 4.550 0.001 0.000 0.347 173 Y C 1.168 176.806 175.900 -0.437 0.000 1.000 173 Y CA 0.253 58.265 58.100 -0.148 0.000 1.051 173 Y CB 1.912 40.276 38.460 -0.160 0.000 1.259 173 Y HN 0.912 9.192 8.280 -0.000 0.000 0.468 174 G N 0.458 109.008 108.800 -0.417 0.000 2.950 174 G HA2 -0.202 3.758 3.960 0.001 0.000 0.190 174 G HA3 -0.202 3.758 3.960 0.001 0.000 0.190 174 G C -0.553 173.629 174.900 -1.195 0.000 1.458 174 G CA 0.773 44.934 45.100 -1.565 0.000 0.800 174 G HN 0.894 9.184 8.290 -0.000 0.000 0.685 175 W N -1.976 118.906 121.300 -0.696 0.000 3.079 175 W HA -0.077 4.584 4.660 0.001 0.000 0.462 175 W C -1.485 174.794 176.519 -0.400 0.000 1.848 175 W CA -1.024 56.032 57.345 -0.481 0.000 0.459 175 W CB -1.081 27.928 29.460 -0.752 0.000 2.859 175 W HN 0.465 8.645 8.180 -0.000 0.000 0.417 176 Y N 5.454 126.180 120.300 0.710 0.000 2.425 176 Y HA 0.253 4.804 4.550 0.001 0.000 0.344 176 Y C 1.210 177.452 175.900 0.570 0.000 0.969 176 Y CA -1.093 57.283 58.100 0.460 0.000 1.052 176 Y CB 1.486 40.070 38.460 0.206 0.000 1.215 176 Y HN 0.331 8.611 8.280 -0.000 0.000 0.451 177 N N 1.777 120.858 118.700 0.635 0.000 2.104 177 N HA -0.240 4.501 4.740 0.001 0.000 0.190 177 N C 2.208 177.903 175.510 0.307 0.000 1.024 177 N CA 1.579 54.925 53.050 0.493 0.000 0.853 177 N CB -0.016 38.630 38.487 0.266 0.000 1.008 177 N HN 0.873 9.253 8.380 -0.000 0.000 0.424 178 R N 0.958 121.599 120.500 0.235 0.000 2.080 178 R HA 0.034 4.374 4.340 0.001 0.000 0.236 178 R C 1.421 177.820 176.300 0.166 0.000 1.137 178 R CA 1.661 57.847 56.100 0.144 0.000 0.943 178 R CB -1.044 29.295 30.300 0.065 0.000 0.846 178 R HN 0.161 8.431 8.270 -0.000 0.000 0.431 179 S N 0.473 116.315 115.700 0.236 0.000 2.328 179 S HA 0.348 4.819 4.470 0.001 0.000 0.204 179 S C -2.182 172.520 174.600 0.170 0.000 1.475 179 S CA -1.071 57.260 58.200 0.218 0.000 1.148 179 S CB 1.844 65.205 63.200 0.268 0.000 1.077 179 S HN 0.297 8.607 8.310 -0.000 0.000 0.479 180 P HA -0.116 4.304 4.420 -0.000 0.000 0.216 180 P C 0.460 177.325 177.300 -0.726 0.000 1.153 180 P CA 1.253 63.979 63.100 -0.623 0.000 0.858 180 P CB -0.011 31.300 31.700 -0.648 0.000 0.789 181 Y N -1.583 118.607 120.300 -0.183 0.000 2.471 181 Y HA 0.158 4.708 4.550 0.001 0.000 0.286 181 Y C 0.859 176.578 175.900 -0.302 0.000 1.188 181 Y CA -0.060 57.880 58.100 -0.266 0.000 1.286 181 Y CB -0.471 37.860 38.460 -0.214 0.000 1.072 181 Y HN -0.124 8.156 8.280 -0.000 0.000 0.517 182 L N 0.701 121.929 121.223 0.008 0.000 2.294 182 L HA 0.298 4.638 4.340 0.001 0.000 0.283 182 L C -0.960 176.082 176.870 0.288 0.000 1.015 182 L CA -0.602 54.245 54.840 0.013 0.000 0.831 182 L CB 0.654 42.744 42.059 0.052 0.000 1.217 182 L HN 0.118 8.348 8.230 -0.000 0.000 0.420 183 W N 1.127 122.293 121.300 -0.223 0.000 2.671 183 W HA 0.528 5.188 4.660 0.001 0.000 0.360 183 W C 0.725 177.161 176.519 -0.138 0.000 1.128 183 W CA -1.275 55.998 57.345 -0.120 0.000 1.184 183 W CB 1.242 30.549 29.460 -0.255 0.000 1.415 183 W HN 0.479 8.659 8.180 -0.000 0.000 0.604 184 S N 0.129 116.039 115.700 0.350 0.000 2.640 184 S HA 0.516 4.986 4.470 0.001 0.000 0.262 184 S C -0.219 174.572 174.600 0.319 0.000 1.232 184 S CA -0.430 57.972 58.200 0.336 0.000 0.988 184 S CB 0.235 63.657 63.200 0.370 0.000 1.034 184 S HN 0.145 8.455 8.310 -0.000 0.000 0.569 185 F N 1.717 121.841 119.950 0.289 0.000 2.450 185 F HA 0.383 4.911 4.527 0.001 0.000 0.339 185 F C -1.844 174.096 175.800 0.232 0.000 1.146 185 F CA -1.638 56.516 58.000 0.256 0.000 1.267 185 F CB -0.125 38.982 39.000 0.178 0.000 1.178 185 F HN 0.362 8.662 8.300 -0.000 0.000 0.585 186 P HA 0.029 4.449 4.420 -0.000 0.000 0.269 186 P C -0.600 176.679 177.300 -0.036 0.000 1.217 186 P CA -0.202 62.811 63.100 -0.146 0.000 0.783 186 P CB 0.521 32.180 31.700 -0.068 0.000 0.898 187 S N 1.461 117.062 115.700 -0.165 0.000 2.632 187 S HA 0.204 4.675 4.470 0.001 0.000 0.267 187 S C 0.317 174.891 174.600 -0.044 0.000 1.193 187 S CA -0.708 57.470 58.200 -0.037 0.000 1.003 187 S CB -0.162 62.995 63.200 -0.073 0.000 1.073 187 S HN 0.557 8.867 8.310 -0.000 0.000 0.553 188 N N 0.847 119.528 118.700 -0.031 0.000 2.453 188 N HA 0.288 5.028 4.740 0.001 0.000 0.253 188 N C -0.116 175.338 175.510 -0.093 0.000 1.252 188 N CA -0.157 52.876 53.050 -0.030 0.000 0.917 188 N CB 0.370 38.854 38.487 -0.005 0.000 1.117 188 N HN 0.867 9.247 8.380 -0.000 0.000 0.442 189 A N 1.260 124.050 122.820 -0.051 0.000 2.351 189 A HA 0.505 4.825 4.320 0.001 0.000 0.257 189 A C -0.218 177.335 177.584 -0.052 0.000 1.087 189 A CA -0.679 51.330 52.037 -0.046 0.000 0.798 189 A CB 0.203 19.194 19.000 -0.015 0.000 1.033 189 A HN 0.767 8.917 8.150 -0.000 0.000 0.488 190 L N 1.046 122.258 121.223 -0.018 0.000 2.446 190 L HA 0.415 4.756 4.340 0.001 0.000 0.268 190 L C -0.344 176.570 176.870 0.074 0.000 0.975 190 L CA -0.240 54.590 54.840 -0.016 0.000 0.848 190 L CB 1.418 43.425 42.059 -0.086 0.000 1.225 190 L HN 0.924 9.154 8.230 -0.000 0.000 0.410 191 E N 4.771 125.003 120.200 0.055 0.000 2.249 191 E HA 0.565 4.916 4.350 0.001 0.000 0.280 191 E C -1.512 175.136 176.600 0.079 0.000 1.016 191 E CA -0.467 55.984 56.400 0.084 0.000 0.830 191 E CB 1.155 30.881 29.700 0.044 0.000 1.081 191 E HN 0.566 8.926 8.360 -0.000 0.000 0.395 192 L N 4.093 125.391 121.223 0.126 0.000 2.370 192 L HA 0.618 4.958 4.340 0.001 0.000 0.266 192 L C -1.132 175.788 176.870 0.083 0.000 1.002 192 L CA -1.185 53.708 54.840 0.089 0.000 0.818 192 L CB 2.182 44.296 42.059 0.092 0.000 1.325 192 L HN 0.388 8.618 8.230 -0.000 0.000 0.418 193 V N 3.634 123.578 119.914 0.049 0.000 2.532 193 V HA 0.471 4.591 4.120 0.001 0.000 0.294 193 V C -0.926 175.184 176.094 0.028 0.000 1.036 193 V CA -0.350 61.973 62.300 0.039 0.000 0.876 193 V CB 2.081 33.920 31.823 0.027 0.000 1.012 193 V HN 0.421 8.611 8.190 -0.000 0.000 0.432 194 V N 6.220 126.151 119.914 0.030 0.000 2.432 194 V HA 0.777 4.898 4.120 0.001 0.000 0.275 194 V C 0.431 176.535 176.094 0.016 0.000 1.043 194 V CA 0.333 62.646 62.300 0.021 0.000 0.925 194 V CB 1.433 33.270 31.823 0.023 0.000 0.985 194 V HN 1.087 9.277 8.190 -0.000 0.000 0.466 195 T N 1.190 115.751 114.554 0.011 0.000 3.105 195 T HA 0.620 4.970 4.350 0.001 0.000 0.321 195 T C 0.301 175.005 174.700 0.007 0.000 1.135 195 T CA 0.036 62.141 62.100 0.009 0.000 1.053 195 T CB 1.898 70.771 68.868 0.008 0.000 1.133 195 T HN 0.715 8.955 8.240 -0.000 0.000 0.463 196 A N 2.995 125.818 122.820 0.006 0.000 2.169 196 A HA 0.416 4.737 4.320 0.001 0.000 0.212 196 A C 0.906 178.492 177.584 0.004 0.000 1.153 196 A CA 0.035 52.075 52.037 0.004 0.000 0.756 196 A CB -0.512 18.491 19.000 0.004 0.000 0.813 196 A HN 0.870 9.020 8.150 -0.000 0.000 0.471 197 I N 0.964 121.536 120.570 0.004 0.000 2.416 197 I HA 0.501 4.672 4.170 0.001 0.000 0.288 197 I C 0.444 176.563 176.117 0.004 0.000 1.051 197 I CA 0.574 61.876 61.300 0.004 0.000 1.375 197 I CB 0.776 38.779 38.000 0.004 0.000 1.407 197 I HN 0.425 8.635 8.210 -0.000 0.000 0.516 198 D N 0.000 120.402 120.400 0.003 0.000 6.856 198 D HA 0.000 4.640 4.640 0.001 0.000 0.175 198 D CA 0.000 54.002 54.000 0.003 0.000 0.868 198 D CB 0.000 40.802 40.800 0.003 0.000 0.688 198 D HN 0.000 8.370 8.370 -0.000 0.000 0.683