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 2kc3_1_A DATA FIRST_RESID 1 DATA SEQUENCE KVEQAVETEP EPELRQQTEW QSGQRWELAL GRFWDYLRWV QTLSEQVQEE DATA SEQUENCE LLSSQVTQEL RALMDETMKE LKAYKSELEE QLTPVAEETR ARLSKELQAA DATA SEQUENCE QARLGADMED VCGRLVQYRG EVQAMLGQST EELRVRLASH LRKLRKRLLR DATA SEQUENCE DADDLQKRLA VYQAGAREGA ERGLSAIRER LGP 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 K HA 0.000 4.325 4.320 0.008 0.000 0.191 1 K C 0.000 176.605 176.600 0.008 0.000 0.988 1 K CA 0.000 56.292 56.287 0.008 0.000 0.838 1 K CB 0.000 32.505 32.500 0.008 0.000 1.064 2 V N 0.013 119.932 119.914 0.008 0.000 2.735 2 V HA 0.241 4.367 4.120 0.009 0.000 0.310 2 V C -0.684 175.415 176.094 0.009 0.000 1.061 2 V CA -0.900 61.405 62.300 0.008 0.000 0.913 2 V CB 3.139 34.965 31.823 0.005 0.000 1.005 2 V HN -0.275 7.919 8.190 0.007 0.000 0.428 3 E N 5.833 126.040 120.200 0.011 0.000 2.346 3 E HA 0.026 4.383 4.350 0.012 0.000 0.317 3 E C -1.037 175.568 176.600 0.009 0.000 1.404 3 E CA 0.202 56.609 56.400 0.012 0.000 1.534 3 E CB -2.091 27.619 29.700 0.016 0.000 1.309 3 E HN 0.581 8.948 8.360 0.011 0.000 0.499 4 Q N 1.706 121.510 119.800 0.007 0.000 1.990 4 Q HA -0.181 4.162 4.340 0.005 0.000 0.195 4 Q C 0.391 176.395 176.000 0.006 0.000 0.977 4 Q CA 2.168 57.974 55.803 0.006 0.000 0.828 4 Q CB 0.480 29.220 28.738 0.004 0.000 0.896 4 Q HN -0.050 8.157 8.270 0.007 0.067 0.447 5 A N -5.590 117.234 122.820 0.006 0.000 2.551 5 A HA 0.191 4.516 4.320 0.007 0.000 0.252 5 A C -0.162 177.426 177.584 0.007 0.000 1.199 5 A CA 0.085 52.126 52.037 0.007 0.000 0.972 5 A CB 0.618 19.621 19.000 0.005 0.000 1.153 5 A HN 0.121 8.275 8.150 0.006 0.000 0.559 6 V N -1.538 118.381 119.914 0.008 0.000 2.951 6 V HA -0.099 4.026 4.120 0.007 0.000 0.255 6 V C 1.035 177.135 176.094 0.010 0.000 1.088 6 V CA 1.778 64.083 62.300 0.008 0.000 1.109 6 V CB 0.348 32.176 31.823 0.008 0.000 0.724 6 V HN 0.159 8.353 8.190 0.008 0.000 0.471 7 E N -2.340 117.867 120.200 0.011 0.000 2.230 7 E HA -0.165 4.194 4.350 0.014 0.000 0.192 7 E C 0.861 177.469 176.600 0.013 0.000 0.987 7 E CA 2.175 58.583 56.400 0.014 0.000 0.841 7 E CB -0.988 28.721 29.700 0.016 0.000 0.783 7 E HN -0.016 8.321 8.360 0.011 0.030 0.481 8 T N -2.266 112.295 114.554 0.012 0.000 3.051 8 T HA -0.215 4.143 4.350 0.013 0.000 0.269 8 T C 0.932 175.639 174.700 0.011 0.000 1.127 8 T CA 1.801 63.908 62.100 0.012 0.000 1.107 8 T CB -0.461 68.413 68.868 0.010 0.000 0.898 8 T HN -0.170 8.050 8.240 0.011 0.027 0.517 9 E N 0.609 120.815 120.200 0.010 0.000 2.014 9 E HA -0.037 4.318 4.350 0.008 0.000 0.190 9 E C -0.921 175.685 176.600 0.010 0.000 0.980 9 E CA 2.141 58.547 56.400 0.009 0.000 0.807 9 E CB -0.961 28.743 29.700 0.008 0.000 0.770 9 E HN -0.772 7.417 8.360 0.010 0.177 0.451 10 P HA -0.001 4.424 4.420 0.009 0.000 0.269 10 P C -1.212 176.096 177.300 0.013 0.000 1.376 10 P CA -0.290 62.816 63.100 0.011 0.000 0.775 10 P CB -0.550 31.156 31.700 0.011 0.000 1.345 11 E N -3.465 116.743 120.200 0.014 0.000 6.890 11 E HA -0.273 4.087 4.350 0.016 0.000 0.195 11 E C -1.518 175.095 176.600 0.020 0.000 1.108 11 E CA -0.274 56.136 56.400 0.017 0.000 1.547 11 E CB 0.247 29.957 29.700 0.017 0.000 0.935 11 E HN -0.385 7.822 8.360 0.012 0.161 0.290 12 P HA -0.090 4.344 4.420 0.023 0.000 0.234 12 P C 0.696 178.013 177.300 0.030 0.000 1.167 12 P CA 1.358 64.472 63.100 0.023 0.000 0.763 12 P CB 0.152 31.863 31.700 0.020 0.000 0.835 13 E N -0.505 119.714 120.200 0.032 0.000 2.219 13 E HA -0.324 4.054 4.350 0.046 0.000 0.198 13 E C 1.487 178.116 176.600 0.050 0.000 0.998 13 E CA 2.411 58.836 56.400 0.042 0.000 0.818 13 E CB -1.568 28.155 29.700 0.039 0.000 0.741 13 E HN 0.207 8.503 8.360 0.028 0.080 0.477 14 L N -2.612 118.636 121.223 0.043 0.000 2.187 14 L HA -0.318 4.053 4.340 0.052 0.000 0.213 14 L C 1.972 178.875 176.870 0.054 0.000 1.100 14 L CA 2.930 57.799 54.840 0.047 0.000 0.765 14 L CB -0.633 41.449 42.059 0.039 0.000 0.904 14 L HN -0.775 7.438 8.230 0.035 0.038 0.437 15 R N -0.730 119.798 120.500 0.046 0.000 2.093 15 R HA -0.158 4.209 4.340 0.044 0.000 0.224 15 R C 2.000 178.324 176.300 0.040 0.000 1.101 15 R CA 2.050 58.174 56.100 0.040 0.000 0.979 15 R CB -0.764 29.552 30.300 0.027 0.000 0.877 15 R HN 0.385 8.521 8.270 0.041 0.159 0.441 16 Q N -0.194 119.640 119.800 0.056 0.000 2.083 16 Q HA -0.276 4.085 4.340 0.034 0.000 0.198 16 Q C 2.191 178.284 176.000 0.155 0.000 0.969 16 Q CA 3.220 59.073 55.803 0.083 0.000 0.838 16 Q CB -0.301 28.502 28.738 0.108 0.000 0.900 16 Q HN -0.489 7.722 8.270 0.055 0.092 0.436 17 Q N -1.985 117.902 119.800 0.145 0.000 2.119 17 Q HA -0.289 4.199 4.340 0.247 0.000 0.201 17 Q C 2.220 178.317 176.000 0.162 0.000 0.972 17 Q CA 3.090 58.997 55.803 0.173 0.000 0.847 17 Q CB -0.234 28.570 28.738 0.110 0.000 0.903 17 Q HN 0.260 8.594 8.270 0.107 0.000 0.433 18 T N -1.366 113.254 114.554 0.110 0.000 2.746 18 T HA -0.399 4.020 4.350 0.115 0.000 0.267 18 T C 2.052 176.797 174.700 0.075 0.000 1.039 18 T CA 3.996 66.156 62.100 0.101 0.000 1.142 18 T CB -0.496 68.427 68.868 0.091 0.000 0.866 18 T HN -0.462 7.834 8.240 0.093 0.000 0.444 19 E N 1.992 122.199 120.200 0.011 0.000 2.118 19 E HA -0.304 3.987 4.350 -0.099 0.000 0.195 19 E C 1.666 178.164 176.600 -0.170 0.000 0.992 19 E CA 2.725 59.051 56.400 -0.123 0.000 0.804 19 E CB -0.155 29.403 29.700 -0.236 0.000 0.741 19 E HN -0.703 7.670 8.360 0.022 0.000 0.458 20 W N -3.040 118.248 121.300 -0.019 0.000 2.481 20 W HA -0.174 4.459 4.660 -0.046 0.000 0.293 20 W C 2.553 179.057 176.519 -0.025 0.000 1.201 20 W CA 1.290 58.618 57.345 -0.029 0.000 1.328 20 W CB 0.797 30.246 29.460 -0.018 0.000 1.112 20 W HN -0.791 7.382 8.180 0.167 0.107 0.546 21 Q N -0.714 119.230 119.800 0.240 0.000 2.364 21 Q HA -0.325 4.105 4.340 0.151 0.000 0.207 21 Q C 2.052 178.120 176.000 0.112 0.000 0.970 21 Q CA 2.165 58.062 55.803 0.156 0.000 0.888 21 Q CB -0.981 27.837 28.738 0.134 0.000 0.951 21 Q HN 0.260 8.563 8.270 0.239 0.110 0.469 22 S N -0.509 115.234 115.700 0.072 0.000 2.372 22 S HA -0.399 4.136 4.470 0.107 0.000 0.227 22 S C 1.232 175.787 174.600 -0.075 0.000 1.044 22 S CA 3.147 61.351 58.200 0.007 0.000 1.050 22 S CB -0.208 62.925 63.200 -0.111 0.000 0.901 22 S HN -0.188 8.012 8.310 0.072 0.152 0.447 23 G N -0.647 108.108 108.800 -0.076 0.000 2.241 23 G HA2 -0.342 3.610 3.960 -0.012 0.000 0.244 23 G HA3 -0.342 3.582 3.960 -0.060 0.000 0.244 23 G C -1.419 173.356 174.900 -0.208 0.000 0.998 23 G CA 0.494 45.543 45.100 -0.084 0.000 0.621 23 G HN -0.484 7.785 8.290 -0.030 0.003 0.519 24 Q N -2.505 117.046 119.800 -0.414 0.000 2.452 24 Q HA -0.472 3.392 4.340 -0.793 0.000 0.248 24 Q C 0.131 175.824 176.000 -0.511 0.000 0.874 24 Q CA 1.222 56.699 55.803 -0.543 0.000 1.208 24 Q CB -0.701 27.836 28.738 -0.334 0.000 1.569 24 Q HN 0.135 8.024 8.270 -0.463 0.102 0.579 25 R N -2.349 117.871 120.500 -0.467 0.000 2.082 25 R HA -0.300 3.940 4.340 -0.167 0.000 0.228 25 R C 1.581 177.739 176.300 -0.237 0.000 1.140 25 R CA 3.074 59.024 56.100 -0.249 0.000 0.920 25 R CB -0.714 29.544 30.300 -0.071 0.000 0.828 25 R HN -0.267 7.668 8.270 -0.472 0.052 0.430 26 W N -2.477 118.747 121.300 -0.126 0.000 2.402 26 W HA -0.229 4.399 4.660 -0.055 0.000 0.286 26 W C 0.807 177.240 176.519 -0.144 0.000 1.221 26 W CA 1.407 58.683 57.345 -0.115 0.000 1.257 26 W CB -1.403 27.965 29.460 -0.153 0.000 1.120 26 W HN 0.037 7.937 8.180 -0.466 0.000 0.551 27 E N 0.893 120.617 120.200 -0.795 0.000 2.268 27 E HA -0.354 3.864 4.350 -0.220 0.000 0.195 27 E C 2.108 178.486 176.600 -0.370 0.000 0.995 27 E CA 2.245 58.261 56.400 -0.641 0.000 0.836 27 E CB -0.214 28.831 29.700 -1.091 0.000 0.763 27 E HN -0.170 7.190 8.360 -1.632 0.020 0.491 28 L N -0.180 120.831 121.223 -0.353 0.000 2.023 28 L HA -0.237 3.948 4.340 -0.259 0.000 0.205 28 L C 1.063 177.719 176.870 -0.356 0.000 1.073 28 L CA 3.160 57.832 54.840 -0.280 0.000 0.745 28 L CB -0.614 41.315 42.059 -0.217 0.000 0.900 28 L HN -0.529 7.306 8.230 -0.400 0.155 0.435 29 A N -0.559 122.058 122.820 -0.340 0.000 1.859 29 A HA -0.390 3.555 4.320 -0.625 0.000 0.218 29 A C 2.075 178.742 177.584 -1.530 0.000 1.209 29 A CA 3.117 54.773 52.037 -0.634 0.000 0.639 29 A CB -0.662 18.300 19.000 -0.065 0.000 0.835 29 A HN -0.638 7.479 8.150 -0.204 -0.089 0.450 30 L N -4.929 115.925 121.223 -0.615 0.000 2.042 30 L HA -0.326 3.952 4.340 -0.104 0.000 0.210 30 L C 2.380 179.091 176.870 -0.265 0.000 1.076 30 L CA 2.952 57.614 54.840 -0.297 0.000 0.749 30 L CB -1.319 40.782 42.059 0.071 0.000 0.893 30 L HN -0.731 7.361 8.230 -0.230 0.000 0.432 31 G N -0.899 107.759 108.800 -0.236 0.000 2.469 31 G HA2 -0.392 3.609 3.960 0.068 0.000 0.219 31 G HA3 -0.392 3.583 3.960 -0.106 -0.079 0.219 31 G C 1.329 176.243 174.900 0.024 0.000 1.150 31 G CA 2.078 47.146 45.100 -0.054 0.000 0.763 31 G HN -0.183 7.841 8.290 -0.270 0.104 0.561 32 R N 0.289 120.628 120.500 -0.269 0.000 2.148 32 R HA -0.230 4.108 4.340 -0.003 0.000 0.223 32 R C 2.617 178.946 176.300 0.048 0.000 1.088 32 R CA 2.763 58.770 56.100 -0.156 0.000 0.985 32 R CB -0.119 30.020 30.300 -0.270 0.000 0.880 32 R HN 0.006 7.963 8.270 -0.513 0.005 0.451 33 F N -1.819 118.178 119.950 0.078 0.000 2.416 33 F HA -0.017 4.538 4.527 0.046 0.000 0.296 33 F C 1.594 177.528 175.800 0.225 0.000 1.099 33 F CA -0.511 57.553 58.000 0.107 0.000 1.427 33 F CB -1.506 37.545 39.000 0.085 0.000 1.079 33 F HN -0.935 6.831 8.300 -0.665 0.134 0.536 34 W N 1.377 122.793 121.300 0.192 0.000 2.342 34 W HA -0.449 4.309 4.660 0.164 0.000 0.297 34 W C 1.186 177.810 176.519 0.175 0.000 1.213 34 W CA 4.086 61.520 57.345 0.150 0.000 1.251 34 W CB -0.240 29.262 29.460 0.070 0.000 1.136 34 W HN 0.594 8.819 8.180 0.398 0.194 0.526 35 D N -2.170 118.132 120.400 -0.163 0.000 2.249 35 D HA -0.174 3.983 4.640 -0.804 0.000 0.205 35 D C 2.200 178.514 176.300 0.023 0.000 0.962 35 D CA 2.841 56.627 54.000 -0.356 0.000 0.860 35 D CB -0.174 40.495 40.800 -0.218 0.000 0.955 35 D HN -0.588 7.860 8.370 0.146 0.010 0.505 36 Y N 0.013 120.319 120.300 0.010 0.000 2.153 36 Y HA -0.330 4.227 4.550 0.011 0.000 0.289 36 Y C 1.967 177.937 175.900 0.118 0.000 1.127 36 Y CA 3.518 61.652 58.100 0.058 0.000 1.131 36 Y CB 0.224 38.733 38.460 0.082 0.000 0.995 36 Y HN -0.867 7.513 8.280 0.386 0.131 0.505 37 L N -4.162 117.219 121.223 0.265 0.000 2.083 37 L HA -0.249 4.200 4.340 0.183 0.000 0.209 37 L C 1.963 178.903 176.870 0.116 0.000 1.083 37 L CA 3.387 58.337 54.840 0.184 0.000 0.752 37 L CB -0.663 41.508 42.059 0.187 0.000 0.899 37 L HN 0.476 8.785 8.230 0.312 0.108 0.433 38 R N -1.345 119.181 120.500 0.043 0.000 2.189 38 R HA -0.281 4.055 4.340 -0.007 0.000 0.218 38 R C 1.996 178.283 176.300 -0.021 0.000 1.074 38 R CA 2.233 58.310 56.100 -0.037 0.000 0.991 38 R CB -0.863 29.314 30.300 -0.204 0.000 0.883 38 R HN -0.606 7.672 8.270 0.015 0.000 0.457 39 W N 1.253 122.458 121.300 -0.158 0.000 2.374 39 W HA -0.270 4.289 4.660 -0.169 0.000 0.288 39 W C 1.022 177.464 176.519 -0.128 0.000 1.218 39 W CA 3.981 61.226 57.345 -0.168 0.000 1.245 39 W CB 0.068 29.388 29.460 -0.233 0.000 1.126 39 W HN -0.447 7.686 8.180 0.179 0.154 0.545 40 V N -1.254 118.739 119.914 0.132 0.000 3.026 40 V HA -0.640 3.462 4.120 -0.030 0.000 0.265 40 V C 1.194 177.181 176.094 -0.179 0.000 1.121 40 V CA 2.553 64.852 62.300 -0.002 0.000 1.142 40 V CB -0.558 31.322 31.823 0.096 0.000 0.730 40 V HN -0.740 7.569 8.190 0.228 0.018 0.503 41 Q N -0.791 118.902 119.800 -0.179 0.000 2.308 41 Q HA -0.320 3.944 4.340 -0.126 0.000 0.209 41 Q C 1.254 177.113 176.000 -0.236 0.000 0.985 41 Q CA 2.448 58.148 55.803 -0.172 0.000 0.881 41 Q CB -1.124 27.530 28.738 -0.140 0.000 0.917 41 Q HN -0.222 7.769 8.270 -0.138 0.196 0.443 42 T N -0.759 113.564 114.554 -0.385 0.000 2.653 42 T HA -0.316 3.836 4.350 -0.329 0.000 0.268 42 T C 0.788 175.335 174.700 -0.255 0.000 1.035 42 T CA 2.525 64.390 62.100 -0.393 0.000 1.154 42 T CB 0.200 68.685 68.868 -0.639 0.000 0.862 42 T HN -0.634 7.251 8.240 -0.512 0.047 0.441 43 L N -4.239 116.847 121.223 -0.229 0.000 4.367 43 L HA -0.473 3.789 4.340 -0.130 0.000 0.424 43 L C -1.284 175.518 176.870 -0.113 0.000 1.152 43 L CA 0.455 55.208 54.840 -0.146 0.000 0.974 43 L CB -1.745 40.240 42.059 -0.123 0.000 2.012 43 L HN -0.482 7.584 8.230 -0.268 0.003 0.922 44 S N -2.473 113.141 115.700 -0.144 0.000 2.671 44 S HA -0.053 4.372 4.470 -0.075 0.000 0.272 44 S C 1.187 175.757 174.600 -0.050 0.000 1.174 44 S CA -0.288 57.853 58.200 -0.098 0.000 1.004 44 S CB 1.410 64.535 63.200 -0.125 0.000 1.077 44 S HN -0.696 7.430 8.310 -0.216 0.054 0.553 45 E N 1.090 121.275 120.200 -0.026 0.000 2.233 45 E HA -0.351 4.005 4.350 0.011 0.000 0.199 45 E C 1.669 178.282 176.600 0.022 0.000 1.004 45 E CA 3.558 59.960 56.400 0.003 0.000 0.819 45 E CB -0.289 29.415 29.700 0.006 0.000 0.738 45 E HN 0.594 8.935 8.360 -0.033 0.000 0.478 46 Q N -3.502 116.309 119.800 0.019 0.000 2.084 46 Q HA -0.254 4.143 4.340 0.096 0.000 0.202 46 Q C 2.459 178.518 176.000 0.099 0.000 0.978 46 Q CA 2.754 58.607 55.803 0.083 0.000 0.844 46 Q CB -0.683 28.137 28.738 0.136 0.000 0.898 46 Q HN 0.309 8.527 8.270 -0.017 0.042 0.426 47 V N -2.531 117.408 119.914 0.042 0.000 2.626 47 V HA -0.291 3.894 4.120 0.108 0.000 0.252 47 V C 1.705 177.851 176.094 0.086 0.000 1.067 47 V CA 3.255 65.592 62.300 0.061 0.000 1.081 47 V CB -1.250 30.568 31.823 -0.007 0.000 0.686 47 V HN -0.084 7.993 8.190 -0.018 0.103 0.468 48 Q N 0.600 120.443 119.800 0.072 0.000 2.119 48 Q HA -0.324 4.083 4.340 0.113 0.000 0.201 48 Q C 2.560 178.601 176.000 0.070 0.000 0.972 48 Q CA 3.808 59.659 55.803 0.080 0.000 0.847 48 Q CB -0.056 28.715 28.738 0.055 0.000 0.903 48 Q HN -0.537 7.617 8.270 0.050 0.145 0.433 49 E N -1.877 118.361 120.200 0.064 0.000 2.250 49 E HA -0.163 4.214 4.350 0.044 0.000 0.192 49 E C 2.044 178.681 176.600 0.062 0.000 0.986 49 E CA 2.470 58.902 56.400 0.055 0.000 0.849 49 E CB -0.179 29.550 29.700 0.049 0.000 0.797 49 E HN -0.616 7.771 8.360 0.067 0.013 0.482 50 E N -1.575 118.675 120.200 0.084 0.000 2.170 50 E HA -0.065 4.324 4.350 0.066 0.000 0.191 50 E C 2.402 179.056 176.600 0.088 0.000 0.981 50 E CA 2.277 58.729 56.400 0.087 0.000 0.830 50 E CB 0.684 30.457 29.700 0.123 0.000 0.775 50 E HN -0.438 7.883 8.360 0.095 0.097 0.470 51 L N -1.975 119.314 121.223 0.109 0.000 2.127 51 L HA 0.040 4.458 4.340 0.130 0.000 0.203 51 L C 1.135 178.065 176.870 0.100 0.000 1.080 51 L CA 2.743 57.668 54.840 0.142 0.000 0.768 51 L CB -0.431 41.782 42.059 0.257 0.000 0.924 51 L HN 0.218 8.406 8.230 0.111 0.109 0.444 52 L N -3.672 117.594 121.223 0.071 0.000 2.197 52 L HA -0.355 3.989 4.340 0.007 0.000 0.215 52 L C 0.606 177.489 176.870 0.023 0.000 1.095 52 L CA 1.940 56.798 54.840 0.029 0.000 0.764 52 L CB 0.016 42.088 42.059 0.022 0.000 0.897 52 L HN -0.622 7.657 8.230 0.081 0.000 0.436 53 S N -4.429 111.291 115.700 0.034 0.000 2.795 53 S HA 0.174 4.654 4.470 0.017 0.000 0.308 53 S C -0.397 174.222 174.600 0.031 0.000 1.098 53 S CA -0.927 57.288 58.200 0.025 0.000 0.934 53 S CB 2.318 65.531 63.200 0.022 0.000 1.300 53 S HN -0.721 7.583 8.310 0.046 0.033 0.566 54 S N 1.690 117.404 115.700 0.023 0.000 2.677 54 S HA 0.174 4.662 4.470 0.029 0.000 0.246 54 S C 0.449 175.063 174.600 0.024 0.000 1.005 54 S CA 0.462 58.676 58.200 0.023 0.000 1.062 54 S CB -0.781 62.427 63.200 0.014 0.000 0.778 54 S HN 0.289 8.609 8.310 0.018 0.000 0.461 55 Q N 3.847 123.665 119.800 0.031 0.000 1.916 55 Q HA -0.266 4.086 4.340 0.021 0.000 0.203 55 Q C 1.624 177.646 176.000 0.037 0.000 0.983 55 Q CA 3.855 59.676 55.803 0.030 0.000 0.846 55 Q CB -0.172 28.587 28.738 0.035 0.000 0.909 55 Q HN -0.547 7.630 8.270 0.036 0.114 0.427 56 V N -5.052 114.895 119.914 0.055 0.000 2.324 56 V HA -0.413 3.748 4.120 0.069 0.000 0.250 56 V C 1.644 177.769 176.094 0.051 0.000 1.060 56 V CA 3.711 66.051 62.300 0.066 0.000 1.042 56 V CB -0.417 31.457 31.823 0.084 0.000 0.650 56 V HN -0.686 7.542 8.190 0.063 0.000 0.450 57 T N -2.972 111.607 114.554 0.042 0.000 2.788 57 T HA -0.496 3.872 4.350 0.030 0.000 0.268 57 T C 1.791 176.498 174.700 0.012 0.000 1.044 57 T CA 3.501 65.618 62.100 0.029 0.000 1.139 57 T CB -0.373 68.511 68.868 0.028 0.000 0.867 57 T HN 0.003 8.264 8.240 0.047 0.008 0.454 58 Q N 2.050 121.856 119.800 0.011 0.000 2.084 58 Q HA -0.338 3.996 4.340 -0.009 0.000 0.202 58 Q C 2.347 178.336 176.000 -0.018 0.000 0.978 58 Q CA 3.223 59.024 55.803 -0.004 0.000 0.844 58 Q CB -0.195 28.543 28.738 0.000 0.000 0.898 58 Q HN -0.424 7.655 8.270 0.019 0.202 0.426 59 E N -0.209 119.992 120.200 0.001 0.000 2.015 59 E HA -0.335 3.994 4.350 -0.033 0.000 0.191 59 E C 2.626 179.190 176.600 -0.060 0.000 0.991 59 E CA 2.925 59.322 56.400 -0.004 0.000 0.802 59 E CB -0.051 29.704 29.700 0.092 0.000 0.759 59 E HN -0.484 7.888 8.360 0.020 0.000 0.447 60 L N -1.673 119.541 121.223 -0.014 0.000 2.081 60 L HA -0.432 3.888 4.340 -0.034 0.000 0.212 60 L C 1.965 178.788 176.870 -0.078 0.000 1.080 60 L CA 3.342 58.165 54.840 -0.029 0.000 0.754 60 L CB -0.676 41.394 42.059 0.019 0.000 0.893 60 L HN 0.042 8.285 8.230 0.022 0.000 0.433 61 R N -1.296 119.167 120.500 -0.062 0.000 2.091 61 R HA -0.436 3.877 4.340 -0.045 0.000 0.238 61 R C 1.658 177.888 176.300 -0.116 0.000 1.136 61 R CA 3.231 59.293 56.100 -0.064 0.000 0.959 61 R CB -0.356 29.920 30.300 -0.041 0.000 0.856 61 R HN -0.295 7.936 8.270 -0.040 0.015 0.437 62 A N -1.154 121.563 122.820 -0.172 0.000 1.898 62 A HA -0.187 4.202 4.320 -0.164 -0.167 0.216 62 A C 2.020 179.326 177.584 -0.464 0.000 1.181 62 A CA 2.615 54.502 52.037 -0.249 0.000 0.620 62 A CB -0.571 18.280 19.000 -0.248 0.000 0.819 62 A HN -0.485 7.484 8.150 -0.150 0.091 0.442 63 L N -1.834 118.971 121.223 -0.697 0.000 2.013 63 L HA -0.495 2.036 4.340 -3.016 0.000 0.212 63 L C 2.170 178.834 176.870 -0.343 0.000 1.073 63 L CA 3.119 57.252 54.840 -1.177 0.000 0.753 63 L CB -0.588 41.111 42.059 -0.599 0.000 0.890 63 L HN -0.328 7.598 8.230 -0.507 0.000 0.432 64 M N -2.910 116.608 119.600 -0.137 0.000 2.374 64 M HA -0.245 4.277 4.480 0.071 0.000 0.264 64 M C 1.425 177.732 176.300 0.012 0.000 1.067 64 M CA 2.639 57.938 55.300 -0.000 0.000 1.103 64 M CB -0.792 31.809 32.600 0.002 0.000 1.402 64 M HN -0.368 7.824 8.290 -0.163 0.000 0.444 65 D N 0.422 120.797 120.400 -0.042 0.000 2.103 65 D HA -0.183 4.464 4.640 0.012 0.000 0.199 65 D C 2.380 178.712 176.300 0.053 0.000 0.978 65 D CA 3.143 57.139 54.000 -0.006 0.000 0.829 65 D CB -0.556 40.222 40.800 -0.038 0.000 0.981 65 D HN -0.600 7.531 8.370 -0.119 0.168 0.464 66 E N 0.350 120.598 120.200 0.080 0.000 2.006 66 E HA -0.365 4.084 4.350 0.166 0.000 0.192 66 E C 1.863 178.631 176.600 0.280 0.000 0.993 66 E CA 3.684 60.222 56.400 0.231 0.000 0.808 66 E CB 0.182 30.168 29.700 0.476 0.000 0.764 66 E HN 0.232 8.569 8.360 -0.038 0.000 0.449 67 T N 0.575 115.368 114.554 0.398 0.000 2.760 67 T HA -0.358 4.166 4.350 0.291 0.000 0.269 67 T C 1.713 176.531 174.700 0.197 0.000 1.047 67 T CA 4.123 66.406 62.100 0.304 0.000 1.139 67 T CB -0.069 68.991 68.868 0.320 0.000 0.855 67 T HN -0.400 8.181 8.240 0.568 0.000 0.471 68 M N -0.505 119.186 119.600 0.151 0.000 2.334 68 M HA -0.106 4.428 4.480 0.091 0.000 0.266 68 M C 1.015 177.376 176.300 0.102 0.000 1.082 68 M CA 3.043 58.403 55.300 0.101 0.000 1.141 68 M CB -0.275 32.366 32.600 0.068 0.000 1.380 68 M HN -0.585 7.766 8.290 0.153 0.031 0.440 69 K N 0.222 120.690 120.400 0.113 0.000 2.116 69 K HA -0.238 4.132 4.320 0.083 0.000 0.203 69 K C 2.401 179.083 176.600 0.137 0.000 1.052 69 K CA 3.043 59.393 56.287 0.105 0.000 0.952 69 K CB -0.360 32.196 32.500 0.093 0.000 0.729 69 K HN -0.272 7.943 8.250 0.124 0.109 0.446 70 E N -0.623 119.684 120.200 0.178 0.000 2.112 70 E HA -0.216 4.257 4.350 0.205 0.000 0.190 70 E C 2.169 178.953 176.600 0.307 0.000 0.979 70 E CA 2.791 59.330 56.400 0.232 0.000 0.814 70 E CB 0.073 29.920 29.700 0.244 0.000 0.762 70 E HN 0.303 8.666 8.360 0.183 0.107 0.460 71 L N -0.484 120.892 121.223 0.255 0.000 2.056 71 L HA -0.264 4.283 4.340 0.345 0.000 0.207 71 L C 1.297 178.281 176.870 0.190 0.000 1.078 71 L CA 3.272 58.257 54.840 0.242 0.000 0.749 71 L CB 0.111 42.228 42.059 0.096 0.000 0.901 71 L HN -0.352 8.005 8.230 0.211 0.000 0.433 72 K N -1.396 119.069 120.400 0.108 0.000 2.097 72 K HA -0.276 4.041 4.320 -0.005 0.000 0.205 72 K C 2.046 178.673 176.600 0.045 0.000 1.050 72 K CA 3.057 59.370 56.287 0.042 0.000 0.938 72 K CB -0.598 31.925 32.500 0.038 0.000 0.718 72 K HN -0.310 8.009 8.250 0.115 0.000 0.442 73 A N -0.451 122.434 122.820 0.109 0.000 1.898 73 A HA -0.223 4.140 4.320 0.071 0.000 0.216 73 A C 1.994 179.659 177.584 0.135 0.000 1.181 73 A CA 2.724 54.829 52.037 0.113 0.000 0.620 73 A CB -0.787 18.296 19.000 0.138 0.000 0.819 73 A HN -0.383 7.837 8.150 0.141 0.014 0.442 74 Y N -1.374 118.979 120.300 0.089 0.000 2.337 74 Y HA -0.226 4.390 4.550 0.110 0.000 0.293 74 Y C 1.273 177.206 175.900 0.054 0.000 1.123 74 Y CA 1.540 59.704 58.100 0.107 0.000 1.201 74 Y CB 0.258 38.847 38.460 0.215 0.000 1.011 74 Y HN -0.396 8.112 8.280 0.379 0.000 0.545 75 K N 0.428 120.411 120.400 -0.696 0.000 2.032 75 K HA -0.472 3.129 4.320 -1.198 0.000 0.209 75 K C 2.240 178.639 176.600 -0.336 0.000 1.048 75 K CA 3.213 59.069 56.287 -0.718 0.000 0.927 75 K CB -0.674 31.611 32.500 -0.358 0.000 0.712 75 K HN 0.179 8.177 8.250 -0.244 0.106 0.441 76 S N -0.527 115.069 115.700 -0.174 0.000 2.365 76 S HA -0.347 4.213 4.470 -0.084 -0.141 0.225 76 S C 2.045 176.595 174.600 -0.084 0.000 1.039 76 S CA 3.314 61.459 58.200 -0.092 0.000 1.033 76 S CB -0.171 63.005 63.200 -0.039 0.000 0.887 76 S HN -0.416 7.812 8.310 -0.137 0.000 0.447 77 E N 0.169 120.326 120.200 -0.071 0.000 2.077 77 E HA -0.278 4.062 4.350 -0.017 0.000 0.193 77 E C 2.651 179.217 176.600 -0.057 0.000 0.989 77 E CA 2.752 59.133 56.400 -0.031 0.000 0.800 77 E CB 0.193 29.910 29.700 0.029 0.000 0.746 77 E HN -0.756 7.564 8.360 -0.067 0.000 0.452 78 L N -1.876 119.269 121.223 -0.129 0.000 2.362 78 L HA -0.027 4.450 4.340 -0.055 -0.171 0.219 78 L C 1.899 178.694 176.870 -0.126 0.000 1.134 78 L CA 2.500 57.266 54.840 -0.124 0.000 0.807 78 L CB -0.210 41.723 42.059 -0.209 0.000 0.927 78 L HN -0.263 7.761 8.230 -0.221 0.074 0.447 79 E N -0.333 119.797 120.200 -0.116 0.000 2.160 79 E HA -0.386 3.911 4.350 -0.089 0.000 0.195 79 E C 0.868 177.422 176.600 -0.077 0.000 0.991 79 E CA 2.811 59.159 56.400 -0.087 0.000 0.810 79 E CB -0.804 28.857 29.700 -0.066 0.000 0.742 79 E HN -0.148 7.957 8.360 -0.127 0.179 0.466 80 E N -2.951 117.211 120.200 -0.064 0.000 2.265 80 E HA -0.233 4.091 4.350 -0.043 0.000 0.196 80 E C -0.126 176.437 176.600 -0.061 0.000 0.996 80 E CA 1.248 57.618 56.400 -0.049 0.000 0.832 80 E CB 0.251 29.932 29.700 -0.032 0.000 0.756 80 E HN -0.615 7.683 8.360 -0.061 0.025 0.491 81 Q N -5.607 114.141 119.800 -0.087 0.000 2.873 81 Q HA 0.193 4.480 4.340 -0.089 0.000 0.297 81 Q C -1.961 173.922 176.000 -0.195 0.000 1.064 81 Q CA -1.641 54.097 55.803 -0.107 0.000 0.816 81 Q CB 2.776 31.468 28.738 -0.078 0.000 1.481 81 Q HN -0.097 7.935 8.270 -0.096 0.181 0.488 82 L N -0.429 120.660 121.223 -0.223 0.000 2.367 82 L HA 0.260 4.215 4.340 -0.642 0.000 0.263 82 L C -1.547 175.152 176.870 -0.285 0.000 1.533 82 L CA -0.255 54.355 54.840 -0.383 0.000 0.761 82 L CB 1.046 42.924 42.059 -0.302 0.000 0.943 82 L HN 0.125 8.337 8.230 -0.156 -0.076 0.526 83 T N 3.591 118.010 114.554 -0.226 0.000 0.542 83 T HA -0.232 4.180 4.350 -0.046 -0.089 0.774 83 T C -1.840 172.824 174.700 -0.059 0.000 0.992 83 T CA 1.864 63.908 62.100 -0.094 0.000 4.077 83 T CB 0.611 69.450 68.868 -0.049 0.000 2.303 83 T HN -0.287 7.849 8.240 -0.239 -0.039 0.398 84 P HA 0.044 4.452 4.420 -0.021 0.000 0.237 84 P C -1.775 175.521 177.300 -0.007 0.000 1.701 84 P CA 0.429 63.521 63.100 -0.013 0.000 0.955 84 P CB -0.887 30.814 31.700 0.002 0.000 1.937 85 V N 0.841 120.746 119.914 -0.015 0.000 5.044 85 V HA 0.070 4.189 4.120 -0.001 0.000 0.132 85 V C -0.728 175.360 176.094 -0.010 0.000 1.180 85 V CA -0.784 61.513 62.300 -0.005 0.000 1.156 85 V CB 1.458 33.286 31.823 0.008 0.000 1.523 85 V HN 0.067 8.157 8.190 -0.031 0.082 0.618 86 A N 0.823 123.634 122.820 -0.015 0.000 2.091 86 A HA -0.196 4.117 4.320 -0.010 0.000 0.270 86 A C -1.071 176.510 177.584 -0.004 0.000 1.368 86 A CA 1.350 53.378 52.037 -0.015 0.000 0.745 86 A CB -1.523 17.459 19.000 -0.031 0.000 1.173 86 A HN 0.047 8.187 8.150 -0.016 0.000 0.322 87 E N -1.097 119.105 120.200 0.004 0.000 2.876 87 E HA 0.024 4.376 4.350 0.003 0.000 0.286 87 E C -1.175 175.431 176.600 0.010 0.000 1.128 87 E CA -0.010 56.394 56.400 0.005 0.000 2.071 87 E CB 0.181 29.884 29.700 0.004 0.000 2.256 87 E HN -0.091 8.275 8.360 0.010 0.000 1.056 88 E N -2.355 117.852 120.200 0.012 0.000 2.467 88 E HA 0.262 4.620 4.350 0.014 0.000 0.213 88 E C 0.908 177.520 176.600 0.019 0.000 0.823 88 E CA 0.462 56.870 56.400 0.014 0.000 1.233 88 E CB 1.260 30.966 29.700 0.011 0.000 1.233 88 E HN 0.192 8.560 8.360 0.012 0.000 0.585 89 T N 2.234 116.802 114.554 0.022 0.000 2.901 89 T HA -0.106 4.260 4.350 0.027 0.000 0.252 89 T C 1.317 176.045 174.700 0.047 0.000 1.035 89 T CA 3.211 65.329 62.100 0.030 0.000 1.142 89 T CB -0.243 68.642 68.868 0.029 0.000 0.869 89 T HN -0.064 8.187 8.240 0.019 0.000 0.442 90 R N 1.555 122.084 120.500 0.049 0.000 2.092 90 R HA -0.133 4.279 4.340 0.121 0.000 0.231 90 R C 1.913 178.268 176.300 0.091 0.000 1.119 90 R CA 2.754 58.903 56.100 0.081 0.000 0.970 90 R CB -0.228 30.097 30.300 0.040 0.000 0.864 90 R HN 0.196 8.486 8.270 0.033 0.000 0.440 91 A N -1.615 121.237 122.820 0.054 0.000 1.883 91 A HA -0.254 4.097 4.320 0.052 0.000 0.217 91 A C 2.034 179.643 177.584 0.040 0.000 1.186 91 A CA 3.204 55.268 52.037 0.045 0.000 0.624 91 A CB -0.788 18.228 19.000 0.027 0.000 0.822 91 A HN 0.337 8.497 8.150 0.040 0.014 0.444 92 R N -1.930 118.590 120.500 0.033 0.000 2.066 92 R HA -0.181 4.167 4.340 0.014 0.000 0.232 92 R C 2.443 178.754 176.300 0.019 0.000 1.131 92 R CA 2.216 58.329 56.100 0.021 0.000 0.955 92 R CB -0.043 30.267 30.300 0.017 0.000 0.851 92 R HN -0.655 7.636 8.270 0.034 0.000 0.432 93 L N -1.591 119.655 121.223 0.038 0.000 2.275 93 L HA -0.133 4.205 4.340 -0.005 0.000 0.215 93 L C 1.523 178.388 176.870 -0.009 0.000 1.119 93 L CA 3.127 57.981 54.840 0.025 0.000 0.790 93 L CB -0.721 41.384 42.059 0.077 0.000 0.919 93 L HN -0.333 7.929 8.230 0.053 0.000 0.443 94 S N 0.575 116.308 115.700 0.055 0.000 2.359 94 S HA -0.391 4.094 4.470 0.025 0.000 0.224 94 S C 1.975 176.549 174.600 -0.042 0.000 1.035 94 S CA 3.780 62.005 58.200 0.042 0.000 1.018 94 S CB -0.505 62.760 63.200 0.107 0.000 0.876 94 S HN 0.230 8.450 8.310 0.083 0.139 0.448 95 K N -0.435 119.952 120.400 -0.021 0.000 2.155 95 K HA -0.094 4.317 4.320 -0.034 -0.111 0.203 95 K C 2.313 178.882 176.600 -0.051 0.000 1.052 95 K CA 2.529 58.797 56.287 -0.032 0.000 0.948 95 K CB -0.318 32.174 32.500 -0.014 0.000 0.728 95 K HN -0.837 7.413 8.250 -0.000 0.000 0.448 96 E N 0.402 120.569 120.200 -0.054 0.000 2.072 96 E HA -0.289 4.033 4.350 -0.047 0.000 0.191 96 E C 2.283 178.825 176.600 -0.098 0.000 0.985 96 E CA 2.873 59.236 56.400 -0.060 0.000 0.801 96 E CB -0.210 29.462 29.700 -0.046 0.000 0.750 96 E HN -0.576 7.684 8.360 -0.041 0.076 0.452 97 L N 0.444 121.573 121.223 -0.157 0.000 2.046 97 L HA -0.405 3.818 4.340 -0.195 0.000 0.208 97 L C 1.785 178.542 176.870 -0.189 0.000 1.077 97 L CA 3.236 57.937 54.840 -0.231 0.000 0.747 97 L CB -0.037 41.748 42.059 -0.457 0.000 0.896 97 L HN 0.559 8.581 8.230 -0.159 0.112 0.432 98 Q N -1.958 117.747 119.800 -0.158 0.000 2.170 98 Q HA -0.367 3.901 4.340 -0.120 0.000 0.203 98 Q C 2.447 178.401 176.000 -0.076 0.000 0.976 98 Q CA 3.181 58.919 55.803 -0.109 0.000 0.858 98 Q CB -0.292 28.399 28.738 -0.078 0.000 0.907 98 Q HN -0.558 7.617 8.270 -0.158 0.000 0.433 99 A N -1.582 121.197 122.820 -0.068 0.000 1.970 99 A HA -0.106 4.191 4.320 -0.038 0.000 0.216 99 A C 1.720 179.276 177.584 -0.047 0.000 1.170 99 A CA 2.339 54.348 52.037 -0.047 0.000 0.645 99 A CB -0.693 18.285 19.000 -0.037 0.000 0.816 99 A HN -0.453 7.529 8.150 -0.076 0.122 0.447 100 A N -1.303 121.478 122.820 -0.064 0.000 1.897 100 A HA -0.254 4.041 4.320 -0.042 0.000 0.215 100 A C 1.819 179.369 177.584 -0.058 0.000 1.181 100 A CA 2.828 54.829 52.037 -0.060 0.000 0.620 100 A CB -0.610 18.343 19.000 -0.078 0.000 0.821 100 A HN -0.012 7.994 8.150 -0.082 0.095 0.443 101 Q N 0.181 119.934 119.800 -0.079 0.000 2.050 101 Q HA -0.364 3.936 4.340 -0.067 0.000 0.202 101 Q C 1.827 177.805 176.000 -0.036 0.000 0.980 101 Q CA 2.685 58.447 55.803 -0.069 0.000 0.840 101 Q CB -0.653 28.030 28.738 -0.092 0.000 0.898 101 Q HN 0.252 8.463 8.270 -0.099 0.000 0.424 102 A N -1.418 121.381 122.820 -0.035 0.000 2.015 102 A HA -0.196 4.116 4.320 -0.014 0.000 0.219 102 A C 2.418 179.999 177.584 -0.006 0.000 1.163 102 A CA 2.483 54.509 52.037 -0.018 0.000 0.646 102 A CB -0.759 18.229 19.000 -0.020 0.000 0.806 102 A HN -0.501 7.621 8.150 -0.047 0.000 0.448 103 R N -1.431 119.064 120.500 -0.008 0.000 2.051 103 R HA -0.254 4.090 4.340 0.008 0.000 0.225 103 R C 1.886 178.197 176.300 0.018 0.000 1.155 103 R CA 2.845 58.947 56.100 0.004 0.000 0.945 103 R CB -0.128 30.171 30.300 -0.001 0.000 0.840 103 R HN -0.674 7.443 8.270 -0.020 0.142 0.432 104 L N -0.609 120.624 121.223 0.017 0.000 2.051 104 L HA -0.327 4.044 4.340 0.051 0.000 0.214 104 L C 1.670 178.569 176.870 0.049 0.000 1.076 104 L CA 3.725 58.588 54.840 0.039 0.000 0.758 104 L CB -0.365 41.716 42.059 0.036 0.000 0.890 104 L HN -0.039 8.193 8.230 0.002 0.000 0.433 105 G N -3.953 104.868 108.800 0.034 0.000 2.421 105 G HA2 -0.321 3.669 3.960 0.050 0.000 0.217 105 G HA3 -0.321 3.655 3.960 0.026 0.000 0.217 105 G C 0.446 175.366 174.900 0.033 0.000 1.143 105 G CA 1.869 46.991 45.100 0.036 0.000 0.784 105 G HN -0.251 8.046 8.290 0.019 0.004 0.541 106 A N 1.568 124.404 122.820 0.027 0.000 1.872 106 A HA -0.259 4.074 4.320 0.023 0.000 0.214 106 A C 1.506 179.110 177.584 0.035 0.000 1.187 106 A CA 2.490 54.543 52.037 0.026 0.000 0.614 106 A CB -0.184 18.827 19.000 0.020 0.000 0.826 106 A HN -0.745 7.289 8.150 0.023 0.130 0.442 107 D N -1.015 119.410 120.400 0.042 0.000 2.097 107 D HA -0.278 4.392 4.640 0.050 0.000 0.197 107 D C 2.218 178.554 176.300 0.060 0.000 0.984 107 D CA 4.025 58.056 54.000 0.053 0.000 0.826 107 D CB 0.091 40.926 40.800 0.059 0.000 0.973 107 D HN 0.256 8.542 8.370 0.040 0.108 0.460 108 M N -1.569 118.071 119.600 0.068 0.000 2.117 108 M HA -0.357 4.175 4.480 0.087 0.000 0.262 108 M C 1.661 177.993 176.300 0.052 0.000 1.065 108 M CA 4.161 59.506 55.300 0.075 0.000 1.114 108 M CB 0.004 32.658 32.600 0.090 0.000 1.361 108 M HN -0.308 8.022 8.290 0.067 0.000 0.408 109 E N -0.256 119.968 120.200 0.041 0.000 2.204 109 E HA -0.285 4.080 4.350 0.025 0.000 0.194 109 E C 2.286 178.902 176.600 0.026 0.000 0.989 109 E CA 2.708 59.125 56.400 0.029 0.000 0.824 109 E CB -0.110 29.604 29.700 0.024 0.000 0.756 109 E HN -0.494 7.892 8.360 0.043 0.000 0.477 110 D N -0.295 120.124 120.400 0.031 0.000 2.234 110 D HA -0.110 4.541 4.640 0.019 0.000 0.205 110 D C 2.263 178.579 176.300 0.026 0.000 0.962 110 D CA 2.709 56.725 54.000 0.027 0.000 0.855 110 D CB -0.149 40.672 40.800 0.035 0.000 0.951 110 D HN -0.524 7.732 8.370 0.037 0.136 0.500 111 V N 0.717 120.653 119.914 0.037 0.000 2.237 111 V HA -0.520 3.620 4.120 0.033 0.000 0.245 111 V C 1.598 177.710 176.094 0.029 0.000 1.046 111 V CA 4.493 66.815 62.300 0.037 0.000 1.007 111 V CB -0.118 31.738 31.823 0.055 0.000 0.638 111 V HN -0.155 7.934 8.190 0.044 0.127 0.445 112 C N -2.922 116.396 119.300 0.031 0.000 2.425 112 C HA -0.347 4.133 4.460 0.033 0.000 0.277 112 C C 2.343 177.347 174.990 0.024 0.000 1.280 112 C CA 3.503 62.537 59.018 0.028 0.000 1.744 112 C CB -0.650 27.101 27.740 0.020 0.000 1.989 112 C HN -0.596 7.653 8.230 0.033 0.000 0.491 113 G N 0.462 109.272 108.800 0.018 0.000 2.408 113 G HA2 -0.353 3.615 3.960 0.014 0.000 0.217 113 G HA3 -0.353 3.611 3.960 0.007 0.000 0.217 113 G C 0.618 175.523 174.900 0.008 0.000 1.150 113 G CA 1.511 46.618 45.100 0.012 0.000 0.776 113 G HN -0.394 7.892 8.290 0.018 0.014 0.542 114 R N 2.558 123.057 120.500 -0.002 0.000 2.075 114 R HA -0.185 4.127 4.340 -0.047 0.000 0.232 114 R C 2.121 178.439 176.300 0.031 0.000 1.126 114 R CA 2.519 58.605 56.100 -0.024 0.000 0.963 114 R CB -0.127 30.139 30.300 -0.056 0.000 0.858 114 R HN -0.099 7.986 8.270 0.003 0.186 0.435 115 L N -0.907 120.340 121.223 0.039 0.000 1.989 115 L HA -0.388 3.997 4.340 0.075 0.000 0.211 115 L C 2.130 179.102 176.870 0.169 0.000 1.071 115 L CA 3.359 58.255 54.840 0.093 0.000 0.749 115 L CB -0.112 41.985 42.059 0.062 0.000 0.890 115 L HN -0.126 8.117 8.230 0.023 0.000 0.431 116 V N -2.171 117.798 119.914 0.093 0.000 2.490 116 V HA -0.531 3.633 4.120 0.075 0.000 0.250 116 V C 1.498 177.627 176.094 0.058 0.000 1.061 116 V CA 3.262 65.603 62.300 0.069 0.000 1.064 116 V CB -0.039 31.806 31.823 0.037 0.000 0.670 116 V HN -0.557 7.671 8.190 0.064 0.000 0.461 117 Q N 0.733 120.570 119.800 0.061 0.000 1.990 117 Q HA -0.344 4.004 4.340 0.013 0.000 0.200 117 Q C 2.010 178.043 176.000 0.056 0.000 0.980 117 Q CA 3.425 59.250 55.803 0.036 0.000 0.832 117 Q CB -0.108 28.636 28.738 0.011 0.000 0.897 117 Q HN -0.498 7.692 8.270 0.061 0.117 0.427 118 Y N -0.227 120.047 120.300 -0.043 0.000 2.384 118 Y HA -0.381 4.148 4.550 -0.034 0.000 0.289 118 Y C 1.570 177.460 175.900 -0.016 0.000 1.152 118 Y CA 2.530 60.611 58.100 -0.032 0.000 1.258 118 Y CB -0.169 38.273 38.460 -0.030 0.000 0.979 118 Y HN 0.304 8.720 8.280 0.228 0.000 0.549 119 R N -0.292 120.115 120.500 -0.155 0.000 2.062 119 R HA -0.322 3.652 4.340 -0.611 0.000 0.229 119 R C 1.968 178.140 176.300 -0.213 0.000 1.128 119 R CA 3.213 59.148 56.100 -0.274 0.000 0.960 119 R CB -0.337 29.961 30.300 -0.003 0.000 0.855 119 R HN -0.299 7.927 8.270 0.145 0.131 0.432 120 G N -1.627 107.108 108.800 -0.108 0.000 2.469 120 G HA2 -0.376 3.543 3.960 -0.068 0.000 0.220 120 G HA3 -0.376 3.552 3.960 -0.053 0.000 0.220 120 G C 1.187 176.025 174.900 -0.103 0.000 1.136 120 G CA 2.104 47.155 45.100 -0.081 0.000 0.759 120 G HN -0.158 8.095 8.290 -0.061 0.000 0.562 121 E N 0.258 120.380 120.200 -0.130 0.000 2.152 121 E HA -0.228 4.074 4.350 -0.080 0.000 0.192 121 E C 2.284 178.789 176.600 -0.159 0.000 0.983 121 E CA 2.278 58.607 56.400 -0.118 0.000 0.818 121 E CB -0.423 29.222 29.700 -0.092 0.000 0.758 121 E HN -0.697 7.569 8.360 -0.139 0.011 0.467 122 V N 0.868 120.615 119.914 -0.278 0.000 2.323 122 V HA -0.467 3.526 4.120 -0.211 0.000 0.244 122 V C 1.623 177.617 176.094 -0.165 0.000 1.041 122 V CA 3.809 65.942 62.300 -0.278 0.000 1.025 122 V CB -0.103 31.417 31.823 -0.505 0.000 0.656 122 V HN -0.612 7.260 8.190 -0.371 0.096 0.451 123 Q N -1.636 118.073 119.800 -0.151 0.000 2.291 123 Q HA -0.252 4.041 4.340 -0.078 0.000 0.205 123 Q C 1.212 177.173 176.000 -0.066 0.000 0.970 123 Q CA 2.579 58.329 55.803 -0.089 0.000 0.876 123 Q CB -0.632 28.063 28.738 -0.072 0.000 0.935 123 Q HN 0.397 8.448 8.270 -0.187 0.108 0.455 124 A N -1.404 121.373 122.820 -0.071 0.000 2.067 124 A HA -0.144 4.151 4.320 -0.041 0.000 0.219 124 A C 0.497 178.055 177.584 -0.043 0.000 1.158 124 A CA 2.196 54.203 52.037 -0.051 0.000 0.661 124 A CB 0.168 19.138 19.000 -0.049 0.000 0.801 124 A HN -0.149 7.803 8.150 -0.092 0.143 0.452 125 M N -4.903 114.666 119.600 -0.051 0.000 3.135 125 M HA 0.071 4.533 4.480 -0.030 0.000 0.218 125 M C 1.339 177.618 176.300 -0.035 0.000 1.569 125 M CA 0.997 56.273 55.300 -0.039 0.000 1.390 125 M CB 1.003 33.580 32.600 -0.038 0.000 1.050 125 M HN -0.617 7.478 8.290 -0.068 0.154 0.580 126 L N -3.001 118.196 121.223 -0.043 0.000 3.519 126 L HA -0.548 3.768 4.340 -0.039 0.000 0.056 126 L C 1.957 178.815 176.870 -0.021 0.000 4.396 126 L CA 1.715 56.535 54.840 -0.034 0.000 0.548 126 L CB -1.973 40.069 42.059 -0.029 0.000 3.530 126 L HN 0.049 8.246 8.230 -0.056 0.000 0.816 127 G N -1.816 106.974 108.800 -0.017 0.000 2.485 127 G HA2 -0.380 3.574 3.960 -0.010 0.000 0.221 127 G HA3 -0.380 3.573 3.960 -0.011 0.000 0.221 127 G C 0.098 174.992 174.900 -0.010 0.000 1.115 127 G CA 0.822 45.915 45.100 -0.012 0.000 0.751 127 G HN 0.126 8.363 8.290 -0.019 0.041 0.567 128 Q N -1.054 118.738 119.800 -0.013 0.000 2.492 128 Q HA 0.021 4.357 4.340 -0.007 0.000 0.184 128 Q C -0.040 175.956 176.000 -0.006 0.000 1.126 128 Q CA -0.427 55.371 55.803 -0.010 0.000 1.196 128 Q CB 0.297 29.027 28.738 -0.012 0.000 1.240 128 Q HN -0.296 7.923 8.270 -0.017 0.040 0.651 129 S N -0.658 115.041 115.700 -0.002 0.000 2.560 129 S HA -0.138 4.334 4.470 0.004 0.000 0.276 129 S C -0.072 174.532 174.600 0.006 0.000 1.350 129 S CA 1.270 59.472 58.200 0.004 0.000 1.024 129 S CB 0.628 63.833 63.200 0.008 0.000 0.864 129 S HN 0.131 8.439 8.310 -0.002 0.000 0.536 130 T N -0.973 113.589 114.554 0.013 0.000 3.004 130 T HA 0.179 4.542 4.350 0.022 0.000 0.266 130 T C 0.286 175.008 174.700 0.037 0.000 0.986 130 T CA 1.248 63.362 62.100 0.023 0.000 0.902 130 T CB 0.802 69.681 68.868 0.018 0.000 1.118 130 T HN 0.082 8.329 8.240 0.012 0.000 0.522 131 E N 2.476 122.693 120.200 0.029 0.000 2.075 131 E HA -0.039 4.330 4.350 0.031 0.000 0.190 131 E C 1.157 177.783 176.600 0.043 0.000 0.969 131 E CA 2.588 59.006 56.400 0.031 0.000 0.815 131 E CB -0.299 29.412 29.700 0.018 0.000 0.776 131 E HN 0.127 8.500 8.360 0.022 0.000 0.457 132 E N -0.617 119.607 120.200 0.041 0.000 2.114 132 E HA -0.297 4.078 4.350 0.042 0.000 0.199 132 E C 2.148 178.799 176.600 0.085 0.000 1.008 132 E CA 2.849 59.278 56.400 0.049 0.000 0.810 132 E CB -1.210 28.512 29.700 0.038 0.000 0.739 132 E HN 0.480 8.858 8.360 0.031 0.000 0.456 133 L N -7.098 114.192 121.223 0.111 0.000 2.240 133 L HA -0.029 4.460 4.340 0.248 0.000 0.211 133 L C 1.570 178.601 176.870 0.269 0.000 1.106 133 L CA 2.589 57.567 54.840 0.231 0.000 0.793 133 L CB -0.490 41.683 42.059 0.189 0.000 0.927 133 L HN -0.340 7.933 8.230 0.081 0.006 0.446 134 R N -0.741 119.846 120.500 0.145 0.000 2.090 134 R HA -0.247 4.135 4.340 0.071 0.000 0.228 134 R C 2.465 178.780 176.300 0.023 0.000 1.110 134 R CA 3.225 59.368 56.100 0.072 0.000 0.973 134 R CB -0.108 30.219 30.300 0.045 0.000 0.869 134 R HN -0.838 7.356 8.270 0.112 0.143 0.440 135 V N -0.832 119.103 119.914 0.035 0.000 2.488 135 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 135 V C 1.669 177.776 176.094 0.022 0.000 1.046 135 V CA 3.867 66.177 62.300 0.017 0.000 1.053 135 V CB -0.298 31.536 31.823 0.019 0.000 0.679 135 V HN 0.576 8.695 8.190 0.052 0.103 0.458 136 R N -0.512 120.022 120.500 0.057 0.000 2.056 136 R HA -0.265 4.119 4.340 0.073 0.000 0.227 136 R C 2.142 178.477 176.300 0.058 0.000 1.149 136 R CA 3.531 59.684 56.100 0.087 0.000 0.937 136 R CB -0.236 30.153 30.300 0.149 0.000 0.835 136 R HN -0.589 7.728 8.270 0.079 0.000 0.430 137 L N -1.036 120.168 121.223 -0.032 0.000 2.043 137 L HA -0.368 3.848 4.340 -0.207 0.000 0.212 137 L C 1.691 178.470 176.870 -0.151 0.000 1.075 137 L CA 3.173 57.858 54.840 -0.259 0.000 0.752 137 L CB -0.244 41.307 42.059 -0.846 0.000 0.891 137 L HN -0.290 7.958 8.230 0.030 0.000 0.432 138 A N -3.382 119.374 122.820 -0.108 0.000 1.933 138 A HA -0.343 3.917 4.320 -0.100 0.000 0.218 138 A C 2.155 179.713 177.584 -0.044 0.000 1.175 138 A CA 2.875 54.865 52.037 -0.079 0.000 0.628 138 A CB -0.952 18.010 19.000 -0.063 0.000 0.814 138 A HN -0.326 7.762 8.150 -0.092 0.006 0.444 139 S N -1.337 114.349 115.700 -0.024 0.000 2.325 139 S HA -0.234 4.214 4.470 -0.037 0.000 0.214 139 S C 2.035 176.623 174.600 -0.020 0.000 1.031 139 S CA 3.426 61.608 58.200 -0.031 0.000 0.972 139 S CB -0.065 63.109 63.200 -0.043 0.000 0.908 139 S HN -0.688 7.499 8.310 -0.016 0.114 0.453 140 H N 2.358 121.407 119.070 -0.035 0.000 2.289 140 H HA -0.269 4.279 4.556 -0.013 0.000 0.296 140 H C 2.714 178.022 175.328 -0.033 0.000 1.091 140 H CA 3.983 60.015 56.048 -0.026 0.000 1.274 140 H CB 0.264 30.013 29.762 -0.021 0.000 1.364 140 H HN 0.201 8.543 8.280 0.103 0.000 0.490 141 L N -2.091 119.184 121.223 0.087 0.000 2.079 141 L HA -0.279 4.085 4.340 0.041 0.000 0.210 141 L C 1.872 178.753 176.870 0.018 0.000 1.081 141 L CA 2.504 57.357 54.840 0.022 0.000 0.752 141 L CB -0.346 41.683 42.059 -0.050 0.000 0.896 141 L HN 0.108 8.273 8.230 0.062 0.103 0.433 142 R N -1.419 119.082 120.500 0.002 0.000 2.103 142 R HA -0.455 3.881 4.340 -0.006 0.000 0.242 142 R C 2.362 178.670 176.300 0.012 0.000 1.142 142 R CA 3.726 59.824 56.100 -0.003 0.000 0.960 142 R CB -0.456 29.833 30.300 -0.019 0.000 0.858 142 R HN -0.542 7.617 8.270 -0.004 0.109 0.439 143 K N -0.971 119.437 120.400 0.012 0.000 2.148 143 K HA -0.237 4.089 4.320 0.011 0.000 0.204 143 K C 2.590 179.215 176.600 0.042 0.000 1.050 143 K CA 3.172 59.469 56.287 0.017 0.000 0.942 143 K CB -0.427 32.072 32.500 -0.002 0.000 0.724 143 K HN -0.509 7.745 8.250 0.007 0.000 0.446 144 L N -1.592 119.666 121.223 0.057 0.000 2.093 144 L HA -0.217 4.272 4.340 0.066 -0.110 0.208 144 L C 2.574 179.486 176.870 0.069 0.000 1.085 144 L CA 2.654 57.533 54.840 0.065 0.000 0.755 144 L CB -0.510 41.589 42.059 0.067 0.000 0.904 144 L HN -0.605 7.542 8.230 0.060 0.119 0.435 145 R N -2.338 118.201 120.500 0.064 0.000 2.119 145 R HA -0.173 4.230 4.340 0.106 0.000 0.222 145 R C 2.291 178.647 176.300 0.094 0.000 1.088 145 R CA 1.888 58.038 56.100 0.083 0.000 0.984 145 R CB -0.671 29.664 30.300 0.058 0.000 0.884 145 R HN 0.147 8.358 8.270 0.049 0.088 0.447 146 K N 0.468 120.908 120.400 0.066 0.000 1.984 146 K HA -0.270 4.095 4.320 0.075 0.000 0.209 146 K C 1.892 178.529 176.600 0.061 0.000 1.046 146 K CA 3.270 59.593 56.287 0.061 0.000 0.934 146 K CB 0.040 32.562 32.500 0.037 0.000 0.717 146 K HN -0.009 8.272 8.250 0.051 0.000 0.438 147 R N -0.422 120.108 120.500 0.050 0.000 2.083 147 R HA -0.298 4.063 4.340 0.034 0.000 0.237 147 R C 2.247 178.579 176.300 0.054 0.000 1.137 147 R CA 3.339 59.465 56.100 0.043 0.000 0.951 147 R CB -0.465 29.857 30.300 0.037 0.000 0.851 147 R HN -0.300 7.997 8.270 0.046 0.000 0.434 148 L N -0.654 120.612 121.223 0.073 0.000 2.081 148 L HA -0.285 4.099 4.340 0.072 0.000 0.212 148 L C 1.814 178.744 176.870 0.099 0.000 1.080 148 L CA 2.951 57.845 54.840 0.090 0.000 0.754 148 L CB -0.368 41.761 42.059 0.116 0.000 0.893 148 L HN -0.254 8.104 8.230 0.074 -0.084 0.433 149 L N -2.194 119.100 121.223 0.119 0.000 2.056 149 L HA -0.337 4.083 4.340 0.133 0.000 0.207 149 L C 1.162 178.052 176.870 0.032 0.000 1.078 149 L CA 3.230 58.139 54.840 0.115 0.000 0.749 149 L CB -0.153 42.011 42.059 0.174 0.000 0.901 149 L HN -0.586 7.611 8.230 0.119 0.105 0.433 150 R N -1.756 118.764 120.500 0.033 0.000 2.090 150 R HA -0.325 4.012 4.340 -0.005 0.000 0.228 150 R C 2.005 178.304 176.300 -0.003 0.000 1.110 150 R CA 3.351 59.456 56.100 0.007 0.000 0.973 150 R CB -0.583 29.724 30.300 0.012 0.000 0.869 150 R HN -0.345 7.866 8.270 0.048 0.088 0.440 151 D N 0.453 120.858 120.400 0.009 0.000 2.149 151 D HA -0.134 4.502 4.640 -0.008 0.000 0.201 151 D C 2.051 178.348 176.300 -0.005 0.000 0.972 151 D CA 2.908 56.909 54.000 0.002 0.000 0.835 151 D CB -0.515 40.293 40.800 0.014 0.000 0.966 151 D HN 0.181 8.486 8.370 0.025 0.080 0.476 152 A N 0.419 123.240 122.820 0.003 0.000 1.877 152 A HA -0.354 3.975 4.320 0.014 0.000 0.216 152 A C 1.734 179.292 177.584 -0.043 0.000 1.186 152 A CA 3.187 55.220 52.037 -0.007 0.000 0.620 152 A CB -0.471 18.526 19.000 -0.004 0.000 0.822 152 A HN 0.226 8.284 8.150 0.017 0.102 0.443 153 D N -2.517 117.837 120.400 -0.076 0.000 2.117 153 D HA -0.251 4.321 4.640 -0.112 0.000 0.198 153 D C 2.001 178.271 176.300 -0.050 0.000 0.982 153 D CA 3.370 57.316 54.000 -0.090 0.000 0.828 153 D CB -0.289 40.447 40.800 -0.108 0.000 0.967 153 D HN -0.557 7.770 8.370 -0.070 0.000 0.464 154 D N -0.630 119.745 120.400 -0.040 0.000 2.178 154 D HA -0.208 4.412 4.640 -0.033 0.000 0.202 154 D C 2.129 178.404 176.300 -0.043 0.000 0.974 154 D CA 2.704 56.683 54.000 -0.036 0.000 0.841 154 D CB 0.519 41.301 40.800 -0.031 0.000 0.953 154 D HN -0.598 7.749 8.370 -0.038 0.000 0.478 155 L N -1.077 120.118 121.223 -0.046 0.000 2.201 155 L HA -0.203 4.078 4.340 -0.098 0.000 0.212 155 L C 1.160 177.976 176.870 -0.088 0.000 1.105 155 L CA 2.543 57.336 54.840 -0.079 0.000 0.775 155 L CB -0.159 41.856 42.059 -0.073 0.000 0.913 155 L HN -0.199 7.905 8.230 -0.037 0.104 0.440 156 Q N -3.031 116.768 119.800 -0.002 0.000 2.230 156 Q HA -0.347 4.105 4.340 0.187 0.000 0.202 156 Q C 1.849 177.900 176.000 0.085 0.000 0.963 156 Q CA 3.426 59.304 55.803 0.125 0.000 0.866 156 Q CB -0.360 28.467 28.738 0.148 0.000 0.931 156 Q HN -0.472 7.651 8.270 -0.004 0.145 0.452 157 K N -1.215 119.195 120.400 0.016 0.000 2.062 157 K HA -0.198 4.140 4.320 0.029 0.000 0.205 157 K C 2.284 178.889 176.600 0.008 0.000 1.051 157 K CA 2.422 58.717 56.287 0.012 0.000 0.941 157 K CB -0.736 31.760 32.500 -0.007 0.000 0.719 157 K HN -0.783 7.334 8.250 -0.007 0.129 0.440 158 R N -1.066 119.412 120.500 -0.037 0.000 2.066 158 R HA -0.186 4.137 4.340 -0.030 0.000 0.232 158 R C 2.419 178.679 176.300 -0.066 0.000 1.131 158 R CA 2.035 58.093 56.100 -0.070 0.000 0.955 158 R CB -0.459 29.755 30.300 -0.143 0.000 0.851 158 R HN -0.696 7.543 8.270 -0.052 0.000 0.432 159 L N -1.805 119.343 121.223 -0.126 0.000 2.191 159 L HA -0.139 4.173 4.340 -0.047 0.000 0.212 159 L C 2.632 179.548 176.870 0.077 0.000 1.103 159 L CA 2.443 57.206 54.840 -0.129 0.000 0.769 159 L CB -0.898 40.804 42.059 -0.595 0.000 0.908 159 L HN -0.095 8.038 8.230 -0.161 0.000 0.438 160 A N -0.930 121.961 122.820 0.118 0.000 1.929 160 A HA -0.235 4.358 4.320 0.276 -0.107 0.216 160 A C 1.651 179.340 177.584 0.176 0.000 1.176 160 A CA 2.879 55.033 52.037 0.194 0.000 0.628 160 A CB -0.655 18.434 19.000 0.148 0.000 0.816 160 A HN -0.504 7.555 8.150 0.065 0.130 0.444 161 V N -2.107 117.903 119.914 0.159 0.000 2.719 161 V HA -0.389 3.808 4.120 0.128 0.000 0.252 161 V C 1.546 177.782 176.094 0.236 0.000 1.065 161 V CA 3.663 66.063 62.300 0.166 0.000 1.086 161 V CB -0.394 31.516 31.823 0.145 0.000 0.700 161 V HN -0.746 7.429 8.190 0.128 0.091 0.467 162 Y N -1.833 118.508 120.300 0.068 0.000 2.373 162 Y HA -0.356 4.214 4.550 0.033 0.000 0.293 162 Y C 1.266 177.231 175.900 0.110 0.000 1.129 162 Y CA 2.573 60.709 58.100 0.061 0.000 1.226 162 Y CB 0.232 38.712 38.460 0.033 0.000 1.000 162 Y HN -0.638 7.746 8.280 0.360 0.113 0.549 163 Q N -2.677 117.324 119.800 0.335 0.000 2.291 163 Q HA -0.328 4.236 4.340 0.374 0.000 0.205 163 Q C 1.145 177.255 176.000 0.183 0.000 0.970 163 Q CA 2.008 58.012 55.803 0.334 0.000 0.876 163 Q CB -0.021 28.957 28.738 0.401 0.000 0.935 163 Q HN -0.579 7.782 8.270 0.350 0.119 0.455 164 A N 0.809 123.710 122.820 0.134 0.000 1.851 164 A HA -0.201 4.175 4.320 0.093 0.000 0.216 164 A C 0.173 177.783 177.584 0.043 0.000 1.195 164 A CA 1.543 53.630 52.037 0.083 0.000 0.622 164 A CB -0.131 18.909 19.000 0.066 0.000 0.831 164 A HN -0.850 7.241 8.150 0.153 0.151 0.444 165 G N -3.300 105.498 108.800 -0.004 0.000 2.977 165 G HA2 -0.373 3.678 3.960 -0.095 0.000 0.686 165 G HA3 -0.373 3.575 3.960 -0.021 0.000 0.686 165 G C -1.088 173.795 174.900 -0.030 0.000 1.088 165 G CA -0.232 44.844 45.100 -0.040 0.000 0.845 165 G HN -0.765 7.557 8.290 -0.018 -0.042 0.565 166 A N 2.949 125.739 122.820 -0.050 0.000 2.260 166 A HA -0.257 4.085 4.320 -0.021 -0.035 0.208 166 A C -0.323 177.248 177.584 -0.022 0.000 1.588 166 A CA 1.965 53.983 52.037 -0.033 0.000 0.600 166 A CB 0.674 19.649 19.000 -0.042 0.000 1.142 166 A HN 0.314 8.500 8.150 -0.078 -0.082 0.494 167 R N -3.149 117.335 120.500 -0.026 0.000 5.383 167 R HA -0.068 4.263 4.340 -0.016 0.000 0.041 167 R C 0.478 176.766 176.300 -0.020 0.000 0.786 167 R CA 0.256 56.346 56.100 -0.018 0.000 1.796 167 R CB -0.620 29.674 30.300 -0.010 0.000 1.039 167 R HN -0.014 8.236 8.270 -0.034 0.000 0.437 168 E N -0.144 120.046 120.200 -0.017 0.000 2.075 168 E HA 0.005 4.527 4.350 -0.016 -0.181 0.190 168 E C 1.567 178.155 176.600 -0.020 0.000 0.969 168 E CA 1.512 57.902 56.400 -0.016 0.000 0.815 168 E CB -0.329 29.364 29.700 -0.012 0.000 0.776 168 E HN 0.364 8.715 8.360 -0.015 0.000 0.457 169 G N -0.803 107.984 108.800 -0.021 0.000 2.462 169 G HA2 -0.214 3.734 3.960 -0.020 0.000 0.220 169 G HA3 -0.214 3.732 3.960 -0.023 0.000 0.220 169 G C 0.627 175.507 174.900 -0.034 0.000 1.121 169 G CA 1.323 46.409 45.100 -0.024 0.000 0.758 169 G HN 0.130 8.408 8.290 -0.019 0.000 0.559 170 A N 0.544 123.338 122.820 -0.043 0.000 2.030 170 A HA -0.081 4.200 4.320 -0.065 0.000 0.215 170 A C 1.910 179.464 177.584 -0.050 0.000 1.164 170 A CA 1.509 53.510 52.037 -0.060 0.000 0.697 170 A CB -0.289 18.662 19.000 -0.081 0.000 0.827 170 A HN -0.135 7.963 8.150 -0.039 0.028 0.457 171 E N -0.238 119.940 120.200 -0.037 0.000 2.273 171 E HA -0.298 4.033 4.350 -0.032 0.000 0.198 171 E C 0.767 177.351 176.600 -0.027 0.000 1.002 171 E CA 2.210 58.593 56.400 -0.029 0.000 0.828 171 E CB -0.534 29.154 29.700 -0.021 0.000 0.747 171 E HN -0.341 7.887 8.360 -0.033 0.112 0.491 172 R N -1.209 119.275 120.500 -0.026 0.000 2.577 172 R HA 0.177 4.505 4.340 -0.020 0.000 0.344 172 R C -0.338 175.947 176.300 -0.024 0.000 1.037 172 R CA -0.880 55.207 56.100 -0.022 0.000 1.102 172 R CB 0.880 31.170 30.300 -0.017 0.000 1.313 172 R HN -0.710 7.501 8.270 -0.028 0.042 0.561 173 G N 0.303 109.083 108.800 -0.033 0.000 3.205 173 G HA2 0.320 4.264 3.960 -0.026 0.000 0.343 173 G HA3 0.320 4.253 3.960 -0.044 0.000 0.343 173 G C -0.670 174.207 174.900 -0.039 0.000 1.305 173 G CA -0.411 44.667 45.100 -0.036 0.000 1.120 173 G HN 0.120 8.183 8.290 -0.039 0.203 0.472 174 L N 0.398 121.606 121.223 -0.026 0.000 2.610 174 L HA 0.085 4.407 4.340 -0.030 0.000 0.232 174 L C 0.430 177.294 176.870 -0.010 0.000 1.149 174 L CA 1.055 55.882 54.840 -0.021 0.000 0.872 174 L CB -0.360 41.690 42.059 -0.015 0.000 0.992 174 L HN -0.307 7.910 8.230 -0.020 0.000 0.447 175 S N 1.671 117.367 115.700 -0.007 0.000 2.374 175 S HA -0.491 3.987 4.470 0.013 0.000 0.227 175 S C 1.269 175.893 174.600 0.040 0.000 1.037 175 S CA 4.236 62.444 58.200 0.012 0.000 1.024 175 S CB -0.571 62.636 63.200 0.012 0.000 0.861 175 S HN -0.203 8.017 8.310 -0.014 0.082 0.456 176 A N 1.357 124.195 122.820 0.031 0.000 1.852 176 A HA -0.331 4.155 4.320 0.277 0.000 0.217 176 A C 1.915 179.584 177.584 0.143 0.000 1.215 176 A CA 2.862 54.968 52.037 0.116 0.000 0.641 176 A CB -0.641 18.290 19.000 -0.116 0.000 0.838 176 A HN -0.595 7.540 8.150 -0.018 0.004 0.450 177 I N -1.576 119.026 120.570 0.053 0.000 2.286 177 I HA -0.440 3.754 4.170 0.040 0.000 0.248 177 I C 1.255 177.384 176.117 0.020 0.000 1.115 177 I CA 2.184 63.501 61.300 0.028 0.000 1.392 177 I CB -0.050 37.946 38.000 -0.007 0.000 1.065 177 I HN -0.355 7.861 8.210 0.010 0.000 0.418 178 R N -1.031 119.480 120.500 0.018 0.000 2.170 178 R HA -0.430 3.912 4.340 0.004 0.000 0.242 178 R C 1.889 178.196 176.300 0.012 0.000 1.145 178 R CA 3.203 59.309 56.100 0.011 0.000 0.984 178 R CB -0.254 30.052 30.300 0.009 0.000 0.869 178 R HN 0.133 8.337 8.270 0.017 0.077 0.455 179 E N -4.780 115.434 120.200 0.025 0.000 2.250 179 E HA -0.098 4.254 4.350 0.003 0.000 0.192 179 E C 0.653 177.247 176.600 -0.010 0.000 0.986 179 E CA 1.299 57.706 56.400 0.011 0.000 0.849 179 E CB 0.361 30.075 29.700 0.023 0.000 0.797 179 E HN -0.548 7.694 8.360 0.046 0.146 0.482 180 R N -2.258 118.240 120.500 -0.004 0.000 2.189 180 R HA -0.123 4.185 4.340 -0.053 0.000 0.218 180 R C 1.141 177.426 176.300 -0.025 0.000 1.074 180 R CA -0.269 55.813 56.100 -0.029 0.000 0.991 180 R CB 0.203 30.488 30.300 -0.025 0.000 0.883 180 R HN -0.605 7.551 8.270 0.021 0.127 0.457 181 L N -2.345 118.869 121.223 -0.014 0.000 3.597 181 L HA -0.295 4.040 4.340 -0.009 0.000 0.440 181 L C -1.351 175.511 176.870 -0.014 0.000 1.277 181 L CA 0.779 55.612 54.840 -0.012 0.000 0.852 181 L CB -0.899 41.153 42.059 -0.012 0.000 1.708 181 L HN -0.200 7.995 8.230 -0.007 0.030 0.885 182 G N -1.095 107.695 108.800 -0.016 0.000 2.733 182 G HA2 0.422 4.374 3.960 -0.013 0.000 0.288 182 G HA3 0.422 4.368 3.960 -0.023 0.000 0.288 182 G C -2.771 172.119 174.900 -0.017 0.000 1.373 182 G CA -1.150 43.940 45.100 -0.017 0.000 0.895 182 G HN -0.510 7.770 8.290 -0.016 0.000 0.479 183 P HA 0.000 4.414 4.420 -0.010 0.000 0.216 183 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 183 P CB 0.000 31.696 31.700 -0.006 0.000 0.726