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 3cuq_1_C DATA FIRST_RESID 4 DATA SEQUENCE SFEWPWQYRF PPFFTLQPNV DTRQKQLAAW CSLVLSFCRL HKQSSMTVME DATA SEQUENCE AQESPLFNNV KLQRKLPVES IQIVLEELRK KGNLEWLDKS KSSFLIMWRR DATA SEQUENCE PEEWGKLIYQ WVSRSGQNNS VFTLYELTNG EDTEDEEFHG LDEATLLRAL DATA SEQUENCE QALQQEHKAE IITVSDGRGV KFF 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 4 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 4 S C 0.000 174.584 174.600 -0.026 0.000 1.055 4 S CA 0.000 58.164 58.200 -0.060 0.000 1.107 4 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 5 F N 3.171 122.974 119.950 -0.244 0.000 2.578 5 F HA 0.452 4.982 4.527 0.006 0.000 0.376 5 F C 0.452 176.079 175.800 -0.288 0.000 1.085 5 F CA 0.305 58.142 58.000 -0.272 0.000 1.260 5 F CB 0.416 39.207 39.000 -0.348 0.000 1.095 5 F HN 0.738 9.038 8.300 -0.000 0.000 0.573 6 E N 5.747 125.547 120.200 -0.667 0.000 2.214 6 E HA 0.161 4.516 4.350 0.007 0.000 0.274 6 E C -1.229 174.740 176.600 -1.051 0.000 0.977 6 E CA -0.914 55.120 56.400 -0.611 0.000 0.827 6 E CB 0.887 30.418 29.700 -0.282 0.000 1.130 6 E HN 0.739 9.099 8.360 -0.000 0.000 0.394 7 W N 3.850 124.810 121.300 -0.567 0.000 2.170 7 W HA 0.171 4.834 4.660 0.006 0.000 0.336 7 W C -1.641 174.679 176.519 -0.332 0.000 1.283 7 W CA -1.256 55.805 57.345 -0.475 0.000 1.224 7 W CB 0.258 29.569 29.460 -0.248 0.000 1.132 7 W HN 0.360 8.540 8.180 -0.000 0.000 0.571 8 P HA -0.059 4.361 4.420 -0.000 0.000 0.282 8 P C 0.906 178.113 177.300 -0.156 0.000 1.249 8 P CA -0.415 62.590 63.100 -0.158 0.000 0.806 8 P CB 0.572 32.075 31.700 -0.329 0.000 0.984 9 W N 3.274 124.502 121.300 -0.120 0.000 2.290 9 W HA -0.298 4.366 4.660 0.006 0.000 0.311 9 W C 0.827 177.232 176.519 -0.190 0.000 1.238 9 W CA 1.380 58.648 57.345 -0.128 0.000 1.255 9 W CB -1.743 27.621 29.460 -0.160 0.000 1.145 9 W HN 0.315 8.495 8.180 -0.000 0.000 0.506 10 Q N 0.320 119.218 119.800 -1.503 0.000 2.061 10 Q HA -0.259 4.085 4.340 0.007 0.000 0.204 10 Q C 2.151 177.593 176.000 -0.930 0.000 0.984 10 Q CA 2.539 57.344 55.803 -1.662 0.000 0.846 10 Q CB -1.360 25.839 28.738 -2.565 0.000 0.902 10 Q HN 0.455 8.725 8.270 -0.000 0.000 0.421 11 Y N 1.793 121.572 120.300 -0.868 0.000 2.228 11 Y HA -0.290 4.264 4.550 0.006 0.000 0.285 11 Y C 1.544 177.449 175.900 0.007 0.000 1.178 11 Y CA 1.865 59.742 58.100 -0.372 0.000 1.202 11 Y CB 0.070 38.364 38.460 -0.278 0.000 0.974 11 Y HN 0.096 8.376 8.280 -0.000 0.000 0.527 12 R N -1.507 119.033 120.500 0.067 0.000 2.334 12 R HA 0.081 4.426 4.340 0.007 0.000 0.220 12 R C -0.493 175.953 176.300 0.243 0.000 0.917 12 R CA -0.109 56.065 56.100 0.123 0.000 1.073 12 R CB -0.429 29.960 30.300 0.149 0.000 1.056 12 R HN 0.225 8.495 8.270 -0.000 0.000 0.506 13 F N 2.961 122.957 119.950 0.077 0.000 2.361 13 F HA 0.404 4.935 4.527 0.007 0.000 0.364 13 F C -1.819 174.115 175.800 0.224 0.000 1.117 13 F CA -3.829 54.256 58.000 0.141 0.000 1.071 13 F CB 1.775 40.858 39.000 0.138 0.000 1.188 13 F HN -0.203 8.097 8.300 -0.000 0.000 0.464 14 P HA -0.218 4.202 4.420 -0.000 0.000 0.219 14 P C -1.411 175.900 177.300 0.019 0.000 1.161 14 P CA 2.253 65.338 63.100 -0.024 0.000 0.909 14 P CB -0.738 30.870 31.700 -0.153 0.000 0.793 15 P HA -0.179 4.241 4.420 -0.000 0.000 0.218 15 P C 1.362 178.730 177.300 0.113 0.000 1.146 15 P CA 0.927 63.947 63.100 -0.133 0.000 0.813 15 P CB -0.628 30.881 31.700 -0.318 0.000 0.778 16 F N -0.572 119.375 119.950 -0.005 0.000 2.236 16 F HA -0.150 4.382 4.527 0.007 0.000 0.302 16 F C 1.425 177.195 175.800 -0.049 0.000 1.073 16 F CA 1.231 59.161 58.000 -0.117 0.000 1.336 16 F CB -0.858 37.868 39.000 -0.457 0.000 1.040 16 F HN -0.148 8.152 8.300 -0.000 0.000 0.507 17 F N -0.390 119.643 119.950 0.139 0.000 2.804 17 F HA 0.134 4.666 4.527 0.008 0.000 0.303 17 F C 0.749 176.546 175.800 -0.005 0.000 1.154 17 F CA 0.362 58.417 58.000 0.092 0.000 1.401 17 F CB -0.503 38.541 39.000 0.073 0.000 1.106 17 F HN -0.327 7.973 8.300 -0.000 0.000 0.568 18 T N 1.210 115.823 114.554 0.098 0.000 2.824 18 T HA 0.333 4.687 4.350 0.007 0.000 0.282 18 T C -0.727 173.974 174.700 0.002 0.000 0.993 18 T CA -0.609 61.511 62.100 0.034 0.000 0.967 18 T CB 1.723 70.611 68.868 0.034 0.000 0.960 18 T HN -0.204 8.036 8.240 -0.000 0.000 0.441 19 L N 4.732 125.936 121.223 -0.032 0.000 2.654 19 L HA 0.120 4.465 4.340 0.007 0.000 0.271 19 L C 0.358 177.231 176.870 0.005 0.000 1.169 19 L CA 0.483 55.304 54.840 -0.032 0.000 0.947 19 L CB 0.069 42.095 42.059 -0.054 0.000 1.232 19 L HN 0.506 8.736 8.230 -0.000 0.000 0.486 20 Q N 7.654 127.472 119.800 0.031 0.000 2.304 20 Q HA 0.203 4.548 4.340 0.007 0.000 0.260 20 Q C -1.518 174.505 176.000 0.038 0.000 0.965 20 Q CA -1.548 54.285 55.803 0.051 0.000 0.898 20 Q CB 0.929 29.719 28.738 0.087 0.000 1.196 20 Q HN 0.495 8.765 8.270 -0.000 0.000 0.402 21 P HA -0.122 4.298 4.420 -0.000 0.000 0.220 21 P C 0.244 177.563 177.300 0.032 0.000 1.152 21 P CA 0.639 63.755 63.100 0.026 0.000 0.812 21 P CB 0.314 32.026 31.700 0.021 0.000 0.792 22 N N 0.269 118.995 118.700 0.043 0.000 2.483 22 N HA -0.005 4.740 4.740 0.007 0.000 0.264 22 N C 1.032 176.570 175.510 0.047 0.000 1.197 22 N CA 0.034 53.111 53.050 0.045 0.000 0.927 22 N CB 0.825 39.344 38.487 0.054 0.000 1.065 22 N HN -0.296 8.084 8.380 -0.000 0.000 0.461 23 V N 2.842 122.779 119.914 0.039 0.000 2.667 23 V HA -0.097 4.027 4.120 0.007 0.000 0.252 23 V C 0.905 177.027 176.094 0.046 0.000 1.065 23 V CA 1.754 64.076 62.300 0.038 0.000 1.083 23 V CB -0.446 31.395 31.823 0.029 0.000 0.692 23 V HN 0.730 8.920 8.190 -0.000 0.000 0.468 24 D N -0.460 119.970 120.400 0.049 0.000 2.194 24 D HA -0.075 4.569 4.640 0.007 0.000 0.204 24 D C 2.176 178.520 176.300 0.072 0.000 0.964 24 D CA 1.666 55.698 54.000 0.054 0.000 0.846 24 D CB -0.205 40.624 40.800 0.048 0.000 0.962 24 D HN 0.448 8.818 8.370 -0.000 0.000 0.490 25 T N 0.895 115.498 114.554 0.081 0.000 2.821 25 T HA -0.126 4.229 4.350 0.007 0.000 0.267 25 T C 1.966 176.734 174.700 0.113 0.000 1.046 25 T CA 0.844 63.009 62.100 0.109 0.000 1.139 25 T CB 0.170 69.109 68.868 0.118 0.000 0.871 25 T HN 0.091 8.331 8.240 -0.000 0.000 0.454 26 R N 1.064 121.617 120.500 0.089 0.000 2.066 26 R HA -0.054 4.290 4.340 0.007 0.000 0.232 26 R C 2.517 178.871 176.300 0.090 0.000 1.131 26 R CA 1.295 57.445 56.100 0.084 0.000 0.955 26 R CB -0.192 30.140 30.300 0.055 0.000 0.851 26 R HN 0.431 8.701 8.270 -0.000 0.000 0.432 27 Q N -0.123 119.724 119.800 0.077 0.000 2.217 27 Q HA -0.250 4.094 4.340 0.007 0.000 0.209 27 Q C 1.878 177.937 176.000 0.097 0.000 0.988 27 Q CA 1.803 57.652 55.803 0.076 0.000 0.878 27 Q CB -0.039 28.736 28.738 0.062 0.000 0.909 27 Q HN 0.162 8.432 8.270 -0.000 0.000 0.424 28 K N 0.569 121.036 120.400 0.112 0.000 2.128 28 K HA -0.088 4.236 4.320 0.007 0.000 0.202 28 K C 1.990 178.685 176.600 0.159 0.000 1.050 28 K CA 0.709 57.071 56.287 0.125 0.000 0.966 28 K CB 0.085 32.665 32.500 0.133 0.000 0.759 28 K HN 0.091 8.341 8.250 -0.000 0.000 0.454 29 Q N 0.306 120.219 119.800 0.189 0.000 2.077 29 Q HA -0.183 4.162 4.340 0.007 0.000 0.206 29 Q C 1.765 177.946 176.000 0.303 0.000 0.989 29 Q CA 1.779 57.743 55.803 0.269 0.000 0.853 29 Q CB -0.043 28.822 28.738 0.212 0.000 0.907 29 Q HN 0.313 8.583 8.270 -0.000 0.000 0.418 30 L N -0.376 120.982 121.223 0.226 0.000 2.179 30 L HA -0.023 4.321 4.340 0.007 0.000 0.208 30 L C 2.520 179.518 176.870 0.212 0.000 1.096 30 L CA 0.605 55.582 54.840 0.228 0.000 0.779 30 L CB -0.520 41.614 42.059 0.124 0.000 0.922 30 L HN 0.252 8.482 8.230 -0.000 0.000 0.443 31 A N 0.410 123.325 122.820 0.159 0.000 1.972 31 A HA -0.138 4.186 4.320 0.007 0.000 0.219 31 A C 2.501 180.174 177.584 0.148 0.000 1.169 31 A CA 1.695 53.812 52.037 0.133 0.000 0.635 31 A CB -0.506 18.553 19.000 0.098 0.000 0.810 31 A HN 0.385 8.535 8.150 -0.000 0.000 0.446 32 A N -1.936 120.977 122.820 0.154 0.000 1.968 32 A HA -0.056 4.269 4.320 0.007 0.000 0.217 32 A C 1.946 179.636 177.584 0.176 0.000 1.169 32 A CA 1.002 53.081 52.037 0.070 0.000 0.638 32 A CB -0.694 18.234 19.000 -0.121 0.000 0.812 32 A HN 0.746 8.896 8.150 -0.000 0.000 0.446 33 W N -0.756 120.723 121.300 0.297 0.000 2.407 33 W HA -0.151 4.513 4.660 0.007 0.000 0.305 33 W C 2.587 179.232 176.519 0.211 0.000 1.196 33 W CA 1.030 58.538 57.345 0.272 0.000 1.311 33 W CB -0.402 29.101 29.460 0.073 0.000 1.135 33 W HN 0.330 8.510 8.180 -0.000 0.000 0.514 34 C N -1.199 118.338 119.300 0.395 0.000 2.413 34 C HA -0.192 4.272 4.460 0.007 0.000 0.276 34 C C 2.889 178.023 174.990 0.240 0.000 1.248 34 C CA 1.596 60.775 59.018 0.269 0.000 1.742 34 C CB -1.380 26.469 27.740 0.181 0.000 2.017 34 C HN 0.295 8.525 8.230 -0.000 0.000 0.481 35 S N -0.055 115.767 115.700 0.202 0.000 2.402 35 S HA -0.088 4.387 4.470 0.007 0.000 0.229 35 S C 1.655 176.369 174.600 0.191 0.000 1.021 35 S CA 0.930 59.224 58.200 0.157 0.000 0.974 35 S CB -0.248 63.008 63.200 0.093 0.000 0.800 35 S HN 0.525 8.835 8.310 -0.000 0.000 0.484 36 L N 1.073 122.433 121.223 0.229 0.000 2.095 36 L HA 0.129 4.473 4.340 0.007 0.000 0.204 36 L C 2.283 179.375 176.870 0.371 0.000 1.080 36 L CA 1.404 56.413 54.840 0.281 0.000 0.759 36 L CB -0.841 41.365 42.059 0.246 0.000 0.914 36 L HN 0.213 8.443 8.230 -0.000 0.000 0.439 37 V N -0.051 120.091 119.914 0.380 0.000 2.220 37 V HA -0.301 3.823 4.120 0.007 0.000 0.246 37 V C 2.468 178.764 176.094 0.335 0.000 1.049 37 V CA 2.331 64.834 62.300 0.339 0.000 1.003 37 V CB -0.421 31.607 31.823 0.342 0.000 0.634 37 V HN 0.484 8.674 8.190 -0.000 0.000 0.444 38 L N 1.216 122.618 121.223 0.298 0.000 2.064 38 L HA -0.220 4.124 4.340 0.007 0.000 0.216 38 L C 2.740 179.775 176.870 0.275 0.000 1.077 38 L CA 2.516 57.537 54.840 0.303 0.000 0.766 38 L CB -1.109 41.118 42.059 0.280 0.000 0.890 38 L HN 0.696 8.926 8.230 -0.000 0.000 0.435 39 S N -1.303 114.553 115.700 0.259 0.000 2.528 39 S HA -0.092 4.382 4.470 0.007 0.000 0.219 39 S C 1.722 176.423 174.600 0.169 0.000 0.985 39 S CA -0.039 58.282 58.200 0.201 0.000 0.914 39 S CB -0.322 63.017 63.200 0.231 0.000 0.776 39 S HN 0.428 8.738 8.310 -0.000 0.000 0.526 40 F N 1.394 121.366 119.950 0.037 0.000 2.270 40 F HA 0.134 4.665 4.527 0.006 0.000 0.295 40 F C 2.210 177.948 175.800 -0.103 0.000 1.087 40 F CA 0.616 58.487 58.000 -0.215 0.000 1.365 40 F CB -0.509 38.460 39.000 -0.052 0.000 1.056 40 F HN 0.284 8.584 8.300 -0.000 0.000 0.506 41 C N 1.156 120.553 119.300 0.162 0.000 2.496 41 C HA -0.116 4.348 4.460 0.007 0.000 0.281 41 C C 2.773 177.737 174.990 -0.043 0.000 1.250 41 C CA 0.914 59.993 59.018 0.102 0.000 1.717 41 C CB -1.180 26.709 27.740 0.248 0.000 2.082 41 C HN 0.446 8.676 8.230 -0.000 0.000 0.472 42 R N 0.783 121.233 120.500 -0.083 0.000 2.178 42 R HA -0.198 4.146 4.340 0.007 0.000 0.257 42 R C 1.987 178.036 176.300 -0.418 0.000 1.163 42 R CA 1.628 57.451 56.100 -0.462 0.000 0.981 42 R CB -0.777 29.033 30.300 -0.816 0.000 0.878 42 R HN 0.529 8.799 8.270 -0.000 0.000 0.454 43 L N -0.112 120.850 121.223 -0.433 0.000 2.162 43 L HA -0.065 4.279 4.340 0.007 0.000 0.205 43 L C 1.281 177.784 176.870 -0.613 0.000 1.086 43 L CA 1.789 56.287 54.840 -0.569 0.000 0.778 43 L CB -0.777 40.773 42.059 -0.848 0.000 0.928 43 L HN 0.265 8.495 8.230 -0.000 0.000 0.446 44 H N 1.305 120.062 119.070 -0.523 0.000 2.526 44 H HA 0.107 4.667 4.556 0.007 0.000 0.274 44 H C 0.266 175.450 175.328 -0.239 0.000 0.999 44 H CA 0.001 55.790 56.048 -0.431 0.000 1.157 44 H CB 0.475 29.893 29.762 -0.574 0.000 1.407 44 H HN 0.298 8.578 8.280 -0.000 0.000 0.568 45 K N 0.718 121.054 120.400 -0.107 0.000 3.130 45 K HA -0.227 4.098 4.320 0.007 0.000 0.282 45 K C -0.183 176.429 176.600 0.021 0.000 1.145 45 K CA 0.575 56.843 56.287 -0.033 0.000 0.831 45 K CB -1.395 31.076 32.500 -0.048 0.000 1.226 45 K HN 0.544 8.794 8.250 -0.000 0.000 0.478 46 Q N 0.269 120.089 119.800 0.034 0.000 2.293 46 Q HA 0.221 4.566 4.340 0.007 0.000 0.251 46 Q C 1.149 177.206 176.000 0.096 0.000 0.930 46 Q CA 0.284 56.115 55.803 0.048 0.000 0.893 46 Q CB 1.257 30.018 28.738 0.039 0.000 1.215 46 Q HN 0.331 8.601 8.270 -0.000 0.000 0.425 47 S N -0.403 115.339 115.700 0.070 0.000 2.604 47 S HA 0.215 4.689 4.470 0.007 0.000 0.235 47 S C 0.172 174.799 174.600 0.044 0.000 1.043 47 S CA -0.387 57.866 58.200 0.088 0.000 0.997 47 S CB 0.743 63.985 63.200 0.069 0.000 0.956 47 S HN 0.293 8.603 8.310 -0.000 0.000 0.535 48 S N 2.047 117.739 115.700 -0.014 0.000 2.647 48 S HA 0.789 5.263 4.470 0.007 0.000 0.300 48 S C -0.599 173.883 174.600 -0.196 0.000 1.129 48 S CA -0.816 57.322 58.200 -0.103 0.000 1.029 48 S CB 1.437 64.596 63.200 -0.069 0.000 1.007 48 S HN 0.605 8.915 8.310 -0.000 0.000 0.484 49 M N 0.681 119.995 119.600 -0.477 0.000 2.716 49 M HA 0.715 5.199 4.480 0.007 0.000 0.278 49 M C -0.426 175.390 176.300 -0.806 0.000 1.281 49 M CA -0.964 54.021 55.300 -0.525 0.000 0.814 49 M CB 1.746 34.161 32.600 -0.309 0.000 1.719 49 M HN 0.457 8.747 8.290 -0.000 0.000 0.457 50 T N -1.413 112.917 114.554 -0.372 0.000 2.940 50 T HA 0.544 4.899 4.350 0.007 0.000 0.288 50 T C 0.759 175.518 174.700 0.098 0.000 1.033 50 T CA -0.809 61.206 62.100 -0.141 0.000 1.033 50 T CB 1.540 70.403 68.868 -0.010 0.000 1.079 50 T HN 0.473 8.713 8.240 -0.000 0.000 0.496 51 V N 1.958 122.063 119.914 0.318 0.000 2.287 51 V HA -0.139 3.985 4.120 0.007 0.000 0.248 51 V C 2.680 178.902 176.094 0.213 0.000 1.053 51 V CA 2.314 64.834 62.300 0.367 0.000 1.027 51 V CB -0.999 31.028 31.823 0.341 0.000 0.646 51 V HN 0.911 9.101 8.190 -0.000 0.000 0.447 52 M N 0.232 119.918 119.600 0.144 0.000 2.086 52 M HA -0.165 4.320 4.480 0.007 0.000 0.261 52 M C 2.099 178.458 176.300 0.098 0.000 1.067 52 M CA 1.962 57.322 55.300 0.099 0.000 1.116 52 M CB -0.759 31.882 32.600 0.068 0.000 1.348 52 M HN 0.423 8.713 8.290 -0.000 0.000 0.407 53 E N -0.828 119.421 120.200 0.082 0.000 2.058 53 E HA -0.212 4.142 4.350 0.007 0.000 0.194 53 E C 1.802 178.464 176.600 0.102 0.000 0.997 53 E CA 1.490 57.928 56.400 0.062 0.000 0.801 53 E CB -0.160 29.545 29.700 0.008 0.000 0.746 53 E HN 0.588 8.948 8.360 -0.000 0.000 0.450 54 A N 0.759 123.680 122.820 0.169 0.000 1.855 54 A HA -0.239 4.086 4.320 0.007 0.000 0.215 54 A C 2.111 179.876 177.584 0.302 0.000 1.191 54 A CA 1.577 53.773 52.037 0.265 0.000 0.613 54 A CB -0.771 18.510 19.000 0.469 0.000 0.829 54 A HN 0.397 8.547 8.150 -0.000 0.000 0.442 55 Q N -1.015 118.948 119.800 0.271 0.000 2.315 55 Q HA -0.256 4.089 4.340 0.007 0.000 0.213 55 Q C 1.083 177.193 176.000 0.185 0.000 0.994 55 Q CA 1.890 57.822 55.803 0.216 0.000 0.906 55 Q CB -0.012 28.795 28.738 0.115 0.000 0.918 55 Q HN 0.579 8.849 8.270 -0.000 0.000 0.427 56 E N -0.168 120.119 120.200 0.145 0.000 2.476 56 E HA 0.081 4.436 4.350 0.007 0.000 0.199 56 E C 0.049 176.709 176.600 0.099 0.000 1.021 56 E CA 0.167 56.631 56.400 0.108 0.000 0.907 56 E CB 0.557 30.304 29.700 0.077 0.000 0.974 56 E HN 0.234 8.594 8.360 -0.000 0.000 0.489 57 S N 2.585 118.339 115.700 0.090 0.000 2.569 57 S HA 0.035 4.509 4.470 0.007 0.000 0.274 57 S C -1.666 172.971 174.600 0.061 0.000 1.353 57 S CA -0.744 57.486 58.200 0.049 0.000 1.023 57 S CB 0.274 63.436 63.200 -0.063 0.000 0.876 57 S HN 0.049 8.359 8.310 -0.000 0.000 0.540 58 P HA 0.031 4.451 4.420 -0.000 0.000 0.244 58 P C 0.973 178.374 177.300 0.167 0.000 1.211 58 P CA 0.266 63.490 63.100 0.206 0.000 0.760 58 P CB 0.060 31.969 31.700 0.348 0.000 0.961 59 L N -1.337 119.763 121.223 -0.205 0.000 2.068 59 L HA 0.041 4.385 4.340 0.007 0.000 0.204 59 L C 1.417 178.244 176.870 -0.072 0.000 1.076 59 L CA 1.560 56.095 54.840 -0.508 0.000 0.753 59 L CB -0.240 41.043 42.059 -1.293 0.000 0.910 59 L HN -0.095 8.135 8.230 -0.000 0.000 0.439 60 F N -0.844 119.260 119.950 0.256 0.000 2.647 60 F HA 0.229 4.760 4.527 0.008 0.000 0.300 60 F C 0.453 176.428 175.800 0.292 0.000 1.106 60 F CA -0.439 57.728 58.000 0.279 0.000 1.313 60 F CB 0.377 39.377 39.000 0.000 0.000 1.007 60 F HN 0.094 8.394 8.300 -0.000 0.000 0.536 61 N N 1.500 120.421 118.700 0.368 0.000 2.621 61 N HA -0.003 4.741 4.740 0.007 0.000 0.271 61 N C -1.762 173.758 175.510 0.017 0.000 1.181 61 N CA -0.104 53.021 53.050 0.126 0.000 0.805 61 N CB 0.634 39.180 38.487 0.098 0.000 1.351 61 N HN -0.062 8.318 8.380 -0.000 0.000 0.539 62 N N 3.763 122.290 118.700 -0.288 0.000 2.415 62 N HA 0.081 4.826 4.740 0.007 0.000 0.250 62 N C 1.184 176.530 175.510 -0.274 0.000 1.127 62 N CA -0.060 52.763 53.050 -0.378 0.000 0.945 62 N CB 0.939 38.951 38.487 -0.792 0.000 1.196 62 N HN 0.275 8.655 8.380 -0.000 0.000 0.499 63 V N 4.091 123.938 119.914 -0.111 0.000 2.427 63 V HA -0.144 3.980 4.120 0.007 0.000 0.248 63 V C 2.352 178.395 176.094 -0.085 0.000 1.051 63 V CA 1.230 63.485 62.300 -0.076 0.000 1.048 63 V CB -0.227 31.591 31.823 -0.007 0.000 0.666 63 V HN 0.568 8.758 8.190 -0.000 0.000 0.456 64 K N -0.145 120.210 120.400 -0.074 0.000 2.062 64 K HA -0.014 4.311 4.320 0.007 0.000 0.205 64 K C 2.023 178.568 176.600 -0.092 0.000 1.051 64 K CA 0.981 57.234 56.287 -0.056 0.000 0.941 64 K CB -0.432 32.057 32.500 -0.018 0.000 0.719 64 K HN 0.328 8.578 8.250 -0.000 0.000 0.440 65 L N 1.709 122.836 121.223 -0.159 0.000 2.465 65 L HA -0.055 4.290 4.340 0.007 0.000 0.224 65 L C 0.001 176.744 176.870 -0.212 0.000 1.145 65 L CA 1.221 55.949 54.840 -0.187 0.000 0.834 65 L CB -0.392 41.505 42.059 -0.271 0.000 0.944 65 L HN 0.253 8.483 8.230 -0.000 0.000 0.451 66 Q N 0.218 119.887 119.800 -0.219 0.000 2.463 66 Q HA -0.205 4.140 4.340 0.007 0.000 0.299 66 Q C -0.781 175.068 176.000 -0.251 0.000 1.353 66 Q CA 0.440 56.129 55.803 -0.189 0.000 0.828 66 Q CB -0.911 27.756 28.738 -0.118 0.000 1.157 66 Q HN 0.305 8.575 8.270 -0.000 0.000 0.436 67 R N 1.014 121.255 120.500 -0.432 0.000 2.673 67 R HA 0.557 4.901 4.340 0.007 0.000 0.281 67 R C -0.435 175.490 176.300 -0.625 0.000 0.991 67 R CA -0.626 55.152 56.100 -0.537 0.000 0.896 67 R CB 1.603 31.432 30.300 -0.785 0.000 1.201 67 R HN 0.268 8.538 8.270 -0.000 0.000 0.457 68 K N 1.389 121.631 120.400 -0.263 0.000 2.469 68 K HA 0.424 4.749 4.320 0.007 0.000 0.254 68 K C -0.636 176.053 176.600 0.147 0.000 0.939 68 K CA -0.863 55.405 56.287 -0.032 0.000 0.812 68 K CB 2.244 34.738 32.500 -0.009 0.000 1.301 68 K HN 0.370 8.620 8.250 -0.000 0.000 0.433 69 L N 3.607 124.992 121.223 0.270 0.000 2.369 69 L HA 0.210 4.555 4.340 0.007 0.000 0.279 69 L C -2.104 174.693 176.870 -0.123 0.000 1.108 69 L CA -1.670 53.182 54.840 0.021 0.000 0.852 69 L CB 0.663 42.525 42.059 -0.328 0.000 1.169 69 L HN 0.511 8.741 8.230 -0.000 0.000 0.452 70 P HA -0.104 4.316 4.420 -0.000 0.000 0.270 70 P C 0.743 177.931 177.300 -0.187 0.000 1.221 70 P CA -0.118 62.910 63.100 -0.120 0.000 0.788 70 P CB 0.791 32.433 31.700 -0.096 0.000 0.904 71 V N 1.577 121.411 119.914 -0.133 0.000 2.343 71 V HA -0.234 3.890 4.120 0.007 0.000 0.247 71 V C 2.171 178.173 176.094 -0.154 0.000 1.051 71 V CA 2.333 64.552 62.300 -0.135 0.000 1.036 71 V CB -1.069 30.712 31.823 -0.070 0.000 0.654 71 V HN 0.711 8.901 8.190 -0.000 0.000 0.451 72 E N -0.254 119.869 120.200 -0.129 0.000 2.051 72 E HA -0.206 4.148 4.350 0.007 0.000 0.192 72 E C 2.177 178.677 176.600 -0.166 0.000 0.991 72 E CA 2.031 58.359 56.400 -0.120 0.000 0.799 72 E CB -0.886 28.759 29.700 -0.091 0.000 0.748 72 E HN 0.587 8.947 8.360 -0.000 0.000 0.449 73 S N 2.200 117.773 115.700 -0.211 0.000 2.368 73 S HA -0.109 4.365 4.470 0.007 0.000 0.225 73 S C 2.276 176.627 174.600 -0.415 0.000 1.030 73 S CA 1.521 59.550 58.200 -0.285 0.000 0.999 73 S CB -0.573 62.443 63.200 -0.306 0.000 0.844 73 S HN 0.524 8.834 8.310 -0.000 0.000 0.459 74 I N 0.176 120.437 120.570 -0.514 0.000 2.286 74 I HA -0.159 4.016 4.170 0.007 0.000 0.248 74 I C 2.034 177.931 176.117 -0.367 0.000 1.115 74 I CA 1.471 62.379 61.300 -0.653 0.000 1.392 74 I CB -0.916 36.527 38.000 -0.928 0.000 1.065 74 I HN 0.175 8.385 8.210 -0.000 0.000 0.418 75 Q N 1.299 120.969 119.800 -0.216 0.000 2.234 75 Q HA -0.090 4.254 4.340 0.007 0.000 0.206 75 Q C 2.307 178.253 176.000 -0.089 0.000 0.980 75 Q CA 1.526 57.277 55.803 -0.087 0.000 0.869 75 Q CB -0.265 28.439 28.738 -0.056 0.000 0.912 75 Q HN 0.698 8.968 8.270 -0.000 0.000 0.436 76 I N -0.592 119.887 120.570 -0.152 0.000 2.277 76 I HA -0.187 3.988 4.170 0.007 0.000 0.243 76 I C 2.332 178.376 176.117 -0.121 0.000 1.094 76 I CA 0.674 61.902 61.300 -0.120 0.000 1.393 76 I CB -0.227 37.695 38.000 -0.131 0.000 1.078 76 I HN 0.042 8.252 8.210 -0.000 0.000 0.417 77 V N 0.793 120.587 119.914 -0.199 0.000 2.427 77 V HA -0.212 3.912 4.120 0.007 0.000 0.248 77 V C 2.310 178.332 176.094 -0.121 0.000 1.051 77 V CA 1.558 63.768 62.300 -0.151 0.000 1.048 77 V CB -0.181 31.507 31.823 -0.226 0.000 0.666 77 V HN 0.237 8.427 8.190 -0.000 0.000 0.456 78 L N 0.855 121.970 121.223 -0.180 0.000 2.046 78 L HA -0.085 4.260 4.340 0.007 0.000 0.208 78 L C 2.614 179.398 176.870 -0.143 0.000 1.077 78 L CA 2.452 57.145 54.840 -0.244 0.000 0.747 78 L CB -1.501 40.362 42.059 -0.326 0.000 0.896 78 L HN 0.614 8.844 8.230 -0.000 0.000 0.432 79 E N -0.567 119.617 120.200 -0.027 0.000 2.204 79 E HA -0.190 4.164 4.350 0.007 0.000 0.194 79 E C 1.984 178.585 176.600 0.002 0.000 0.989 79 E CA 0.954 57.377 56.400 0.037 0.000 0.824 79 E CB 0.022 29.757 29.700 0.058 0.000 0.756 79 E HN 0.315 8.675 8.360 -0.000 0.000 0.477 80 E N 0.272 120.461 120.200 -0.019 0.000 2.028 80 E HA -0.114 4.240 4.350 0.007 0.000 0.191 80 E C 2.210 178.808 176.600 -0.004 0.000 0.988 80 E CA 0.920 57.319 56.400 -0.001 0.000 0.799 80 E CB -0.333 29.374 29.700 0.011 0.000 0.755 80 E HN 0.368 8.728 8.360 -0.000 0.000 0.447 81 L N 0.593 121.802 121.223 -0.024 0.000 2.013 81 L HA -0.216 4.129 4.340 0.007 0.000 0.212 81 L C 2.880 179.720 176.870 -0.051 0.000 1.073 81 L CA 1.486 56.308 54.840 -0.030 0.000 0.753 81 L CB -0.505 41.521 42.059 -0.055 0.000 0.890 81 L HN 0.115 8.345 8.230 -0.000 0.000 0.432 82 R N 1.260 121.706 120.500 -0.089 0.000 2.113 82 R HA -0.252 4.092 4.340 0.007 0.000 0.244 82 R C 2.259 178.555 176.300 -0.007 0.000 1.142 82 R CA 2.431 58.492 56.100 -0.066 0.000 0.953 82 R CB -0.148 30.135 30.300 -0.027 0.000 0.860 82 R HN 0.493 8.763 8.270 -0.000 0.000 0.438 83 K N -0.286 120.118 120.400 0.008 0.000 2.305 83 K HA -0.039 4.285 4.320 0.007 0.000 0.199 83 K C 1.879 178.485 176.600 0.010 0.000 1.047 83 K CA 0.833 57.130 56.287 0.016 0.000 0.976 83 K CB -0.047 32.466 32.500 0.022 0.000 0.765 83 K HN 0.029 8.279 8.250 -0.000 0.000 0.474 84 K N 0.587 120.991 120.400 0.007 0.000 2.439 84 K HA -0.065 4.259 4.320 0.007 0.000 0.197 84 K C 0.632 177.232 176.600 0.000 0.000 1.041 84 K CA 0.943 57.235 56.287 0.008 0.000 0.970 84 K CB -0.043 32.467 32.500 0.017 0.000 0.773 84 K HN 0.529 8.779 8.250 -0.000 0.000 0.479 85 G N 0.312 109.110 108.800 -0.003 0.000 2.179 85 G HA2 -0.208 3.756 3.960 0.007 0.000 0.220 85 G HA3 -0.208 3.756 3.960 0.007 0.000 0.220 85 G C 0.503 175.398 174.900 -0.008 0.000 0.990 85 G CA 0.164 45.261 45.100 -0.006 0.000 0.646 85 G HN 0.354 8.644 8.290 -0.000 0.000 0.517 86 N N -0.361 118.335 118.700 -0.007 0.000 2.424 86 N HA 0.153 4.897 4.740 0.007 0.000 0.178 86 N C 0.676 176.185 175.510 -0.002 0.000 1.060 86 N CA 0.710 53.764 53.050 0.008 0.000 0.901 86 N CB 0.854 39.363 38.487 0.036 0.000 0.979 86 N HN 0.560 8.940 8.380 -0.000 0.000 0.451 87 L N 0.772 121.961 121.223 -0.056 0.000 2.386 87 L HA 0.378 4.723 4.340 0.007 0.000 0.271 87 L C -1.021 175.763 176.870 -0.143 0.000 0.993 87 L CA -0.550 54.210 54.840 -0.134 0.000 0.819 87 L CB 2.481 44.349 42.059 -0.318 0.000 1.294 87 L HN -0.125 8.105 8.230 -0.000 0.000 0.414 88 E N 3.701 123.833 120.200 -0.114 0.000 2.234 88 E HA 0.283 4.638 4.350 0.007 0.000 0.266 88 E C -1.889 174.685 176.600 -0.043 0.000 0.877 88 E CA -0.740 55.636 56.400 -0.039 0.000 0.758 88 E CB 1.104 30.826 29.700 0.037 0.000 1.170 88 E HN 0.597 8.957 8.360 -0.000 0.000 0.415 89 W N 4.680 126.043 121.300 0.105 0.000 2.287 89 W HA 0.223 4.888 4.660 0.007 0.000 0.313 89 W C 0.334 176.912 176.519 0.097 0.000 1.267 89 W CA -0.670 56.753 57.345 0.129 0.000 1.201 89 W CB 0.823 30.334 29.460 0.086 0.000 1.196 89 W HN 0.518 8.698 8.180 -0.000 0.000 0.536 90 L N 0.700 122.127 121.223 0.340 0.000 3.168 90 L HA 0.393 4.738 4.340 0.007 0.000 0.277 90 L C -0.776 176.195 176.870 0.169 0.000 1.245 90 L CA -0.261 54.698 54.840 0.199 0.000 1.035 90 L CB -0.185 41.952 42.059 0.129 0.000 1.399 90 L HN 0.246 8.476 8.230 -0.000 0.000 0.580 91 D N -0.462 120.063 120.400 0.209 0.000 2.686 91 D HA 0.288 4.933 4.640 0.007 0.000 0.249 91 D C 0.838 177.187 176.300 0.081 0.000 1.260 91 D CA -0.498 53.580 54.000 0.130 0.000 0.910 91 D CB 1.429 42.309 40.800 0.133 0.000 1.323 91 D HN -0.036 8.334 8.370 -0.000 0.000 0.561 92 K N 1.532 121.959 120.400 0.045 0.000 2.159 92 K HA -0.186 4.138 4.320 0.007 0.000 0.217 92 K C 0.187 176.765 176.600 -0.036 0.000 1.048 92 K CA 1.217 57.510 56.287 0.010 0.000 0.941 92 K CB -0.516 31.987 32.500 0.005 0.000 0.738 92 K HN 0.307 8.557 8.250 -0.000 0.000 0.469 93 S N 1.194 116.865 115.700 -0.050 0.000 2.457 93 S HA 0.147 4.621 4.470 0.007 0.000 0.216 93 S C -0.710 173.780 174.600 -0.183 0.000 1.392 93 S CA -0.406 57.726 58.200 -0.113 0.000 1.102 93 S CB 0.679 63.829 63.200 -0.082 0.000 1.114 93 S HN 0.115 8.425 8.310 -0.000 0.000 0.484 94 K N 1.383 121.562 120.400 -0.368 0.000 4.526 94 K HA -0.193 4.131 4.320 0.007 0.000 0.273 94 K C 0.578 176.871 176.600 -0.512 0.000 0.738 94 K CA 0.507 56.271 56.287 -0.872 0.000 0.703 94 K CB -0.929 30.983 32.500 -0.979 0.000 1.970 94 K HN 0.506 8.756 8.250 -0.000 0.000 0.403 95 S N -0.812 114.883 115.700 -0.007 0.000 2.658 95 S HA 0.036 4.511 4.470 0.007 0.000 0.277 95 S C -0.285 174.574 174.600 0.432 0.000 1.078 95 S CA 0.378 58.709 58.200 0.217 0.000 1.124 95 S CB 0.691 63.943 63.200 0.087 0.000 1.016 95 S HN 0.539 8.849 8.310 -0.000 0.000 0.543 96 S N 1.108 117.098 115.700 0.484 0.000 2.541 96 S HA 0.801 5.275 4.470 0.007 0.000 0.280 96 S C -1.113 173.689 174.600 0.337 0.000 1.112 96 S CA -0.691 57.664 58.200 0.258 0.000 0.925 96 S CB 1.376 64.627 63.200 0.086 0.000 1.067 96 S HN 0.541 8.851 8.310 -0.000 0.000 0.479 97 F N 1.476 121.469 119.950 0.073 0.000 2.613 97 F HA 0.803 5.335 4.527 0.007 0.000 0.310 97 F C -1.467 174.285 175.800 -0.081 0.000 1.085 97 F CA -1.484 56.452 58.000 -0.106 0.000 0.945 97 F CB 0.868 39.508 39.000 -0.599 0.000 1.298 97 F HN 0.584 8.884 8.300 -0.000 0.000 0.455 98 L N 3.850 125.164 121.223 0.152 0.000 2.305 98 L HA 0.634 4.979 4.340 0.007 0.000 0.281 98 L C -1.204 175.786 176.870 0.201 0.000 1.085 98 L CA -0.450 54.459 54.840 0.116 0.000 0.813 98 L CB 0.943 43.045 42.059 0.072 0.000 1.157 98 L HN 0.713 8.943 8.230 -0.000 0.000 0.436 99 I N 6.803 127.497 120.570 0.206 0.000 2.411 99 I HA 0.389 4.563 4.170 0.007 0.000 0.284 99 I C -1.059 175.173 176.117 0.192 0.000 1.012 99 I CA -0.781 60.657 61.300 0.231 0.000 1.119 99 I CB 1.271 39.482 38.000 0.352 0.000 1.261 99 I HN 0.733 8.943 8.210 -0.000 0.000 0.448 100 M N 7.997 127.690 119.600 0.155 0.000 2.027 100 M HA 0.220 4.704 4.480 0.007 0.000 0.329 100 M C 0.755 177.128 176.300 0.122 0.000 0.971 100 M CA -0.663 54.717 55.300 0.133 0.000 0.933 100 M CB 0.866 33.518 32.600 0.087 0.000 1.392 100 M HN 0.619 8.909 8.290 -0.000 0.000 0.394 101 W N 2.046 123.456 121.300 0.183 0.000 2.424 101 W HA -0.044 4.621 4.660 0.009 0.000 0.264 101 W C -0.091 176.481 176.519 0.087 0.000 1.229 101 W CA 0.544 57.973 57.345 0.141 0.000 1.208 101 W CB -0.271 29.275 29.460 0.142 0.000 1.127 101 W HN 0.573 8.753 8.180 -0.000 0.000 0.588 102 R N 1.027 121.154 120.500 -0.621 0.000 2.795 102 R HA 0.435 4.780 4.340 0.007 0.000 0.275 102 R C -0.439 175.534 176.300 -0.545 0.000 0.981 102 R CA -0.885 54.737 56.100 -0.797 0.000 0.917 102 R CB 1.818 31.055 30.300 -1.772 0.000 1.202 102 R HN -0.179 8.091 8.270 -0.000 0.000 0.469 103 R N 2.794 123.022 120.500 -0.453 0.000 2.441 103 R HA 0.178 4.522 4.340 0.007 0.000 0.284 103 R C -1.753 174.421 176.300 -0.209 0.000 1.070 103 R CA -1.782 54.182 56.100 -0.227 0.000 1.047 103 R CB 1.070 31.280 30.300 -0.150 0.000 1.016 103 R HN 0.468 8.738 8.270 -0.000 0.000 0.477 104 P HA -0.188 4.232 4.420 -0.000 0.000 0.221 104 P C 0.658 178.013 177.300 0.091 0.000 1.145 104 P CA 1.050 64.255 63.100 0.175 0.000 0.795 104 P CB 0.318 32.081 31.700 0.105 0.000 0.775 105 E N 0.049 120.244 120.200 -0.008 0.000 2.014 105 E HA -0.138 4.216 4.350 0.007 0.000 0.190 105 E C 1.930 178.513 176.600 -0.028 0.000 0.980 105 E CA 1.002 57.392 56.400 -0.017 0.000 0.807 105 E CB -0.478 29.201 29.700 -0.036 0.000 0.770 105 E HN 0.206 8.566 8.360 -0.000 0.000 0.451 106 E N -0.021 120.116 120.200 -0.105 0.000 2.169 106 E HA -0.234 4.120 4.350 0.007 0.000 0.202 106 E C 2.141 178.678 176.600 -0.105 0.000 1.016 106 E CA 1.003 57.310 56.400 -0.154 0.000 0.817 106 E CB -0.656 28.864 29.700 -0.300 0.000 0.736 106 E HN 0.424 8.784 8.360 -0.000 0.000 0.462 107 W N 0.905 122.166 121.300 -0.064 0.000 2.322 107 W HA -0.133 4.532 4.660 0.007 0.000 0.326 107 W C 2.768 179.252 176.519 -0.058 0.000 1.224 107 W CA 1.081 58.385 57.345 -0.067 0.000 1.257 107 W CB -0.909 28.486 29.460 -0.109 0.000 1.174 107 W HN 0.194 8.374 8.180 -0.000 0.000 0.460 108 G N -0.008 108.917 108.800 0.208 0.000 2.485 108 G HA2 -0.338 3.626 3.960 0.007 0.000 0.221 108 G HA3 -0.338 3.626 3.960 0.007 0.000 0.221 108 G C 1.340 176.330 174.900 0.149 0.000 1.115 108 G CA 1.543 46.716 45.100 0.123 0.000 0.751 108 G HN 0.048 8.338 8.290 -0.000 0.000 0.567 109 K N 0.394 120.870 120.400 0.128 0.000 2.062 109 K HA 0.158 4.482 4.320 0.007 0.000 0.205 109 K C 2.443 179.168 176.600 0.208 0.000 1.051 109 K CA 0.763 57.138 56.287 0.147 0.000 0.941 109 K CB -0.636 31.912 32.500 0.081 0.000 0.719 109 K HN 0.343 8.593 8.250 -0.000 0.000 0.440 110 L N 0.348 121.695 121.223 0.207 0.000 2.046 110 L HA -0.121 4.223 4.340 0.007 0.000 0.208 110 L C 2.267 179.317 176.870 0.300 0.000 1.077 110 L CA 1.121 56.138 54.840 0.295 0.000 0.747 110 L CB -0.335 41.969 42.059 0.409 0.000 0.896 110 L HN 0.174 8.404 8.230 -0.000 0.000 0.432 111 I N -1.551 119.039 120.570 0.033 0.000 2.286 111 I HA -0.343 3.832 4.170 0.007 0.000 0.248 111 I C 2.517 178.667 176.117 0.054 0.000 1.115 111 I CA 1.510 62.606 61.300 -0.340 0.000 1.392 111 I CB -0.484 37.197 38.000 -0.531 0.000 1.065 111 I HN 0.248 8.457 8.210 -0.000 0.000 0.418 112 Y N 1.899 122.254 120.300 0.092 0.000 2.163 112 Y HA -0.287 4.267 4.550 0.007 0.000 0.288 112 Y C 2.874 178.832 175.900 0.096 0.000 1.136 112 Y CA 1.891 60.072 58.100 0.134 0.000 1.147 112 Y CB -0.389 38.166 38.460 0.159 0.000 0.987 112 Y HN 0.160 8.440 8.280 -0.000 0.000 0.509 113 Q N -0.564 119.356 119.800 0.200 0.000 2.061 113 Q HA -0.309 4.035 4.340 0.007 0.000 0.204 113 Q C 2.259 178.295 176.000 0.059 0.000 0.984 113 Q CA 2.338 58.213 55.803 0.120 0.000 0.846 113 Q CB -1.077 27.775 28.738 0.190 0.000 0.902 113 Q HN 0.708 8.978 8.270 -0.000 0.000 0.421 114 W N 1.004 122.319 121.300 0.025 0.000 2.358 114 W HA -0.187 4.478 4.660 0.008 0.000 0.303 114 W C 2.021 178.470 176.519 -0.118 0.000 1.208 114 W CA 1.959 59.325 57.345 0.036 0.000 1.274 114 W CB -0.333 29.293 29.460 0.276 0.000 1.138 114 W HN -0.000 8.180 8.180 -0.000 0.000 0.515 115 V N 0.252 119.992 119.914 -0.290 0.000 2.295 115 V HA -0.331 3.794 4.120 0.007 0.000 0.246 115 V C 2.358 178.103 176.094 -0.582 0.000 1.049 115 V CA 2.298 64.220 62.300 -0.631 0.000 1.024 115 V CB -1.345 30.021 31.823 -0.762 0.000 0.648 115 V HN 0.163 8.353 8.190 -0.000 0.000 0.447 116 S N 0.383 115.764 115.700 -0.531 0.000 2.355 116 S HA -0.132 4.342 4.470 0.007 0.000 0.222 116 S C 1.423 175.853 174.600 -0.283 0.000 1.031 116 S CA 1.190 59.148 58.200 -0.404 0.000 0.993 116 S CB -0.295 62.666 63.200 -0.397 0.000 0.859 116 S HN 0.779 9.089 8.310 -0.000 0.000 0.453 117 R N 0.829 121.165 120.500 -0.273 0.000 4.680 117 R HA 0.464 4.808 4.340 0.007 0.000 0.222 117 R C 0.459 176.549 176.300 -0.350 0.000 1.803 117 R CA 0.100 56.064 56.100 -0.225 0.000 1.560 117 R CB 0.046 30.270 30.300 -0.127 0.000 1.412 117 R HN 0.057 8.327 8.270 -0.000 0.000 0.815 118 S N -0.183 115.276 115.700 -0.403 0.000 2.648 118 S HA 0.229 4.703 4.470 0.007 0.000 0.270 118 S C 1.093 175.529 174.600 -0.272 0.000 1.082 118 S CA 0.290 58.209 58.200 -0.468 0.000 1.116 118 S CB 0.576 63.258 63.200 -0.863 0.000 1.040 118 S HN 0.816 9.126 8.310 -0.000 0.000 0.572 119 G N 1.814 110.485 108.800 -0.214 0.000 2.147 119 G HA2 -0.222 3.743 3.960 0.007 0.000 0.244 119 G HA3 -0.222 3.743 3.960 0.007 0.000 0.244 119 G C -0.087 174.738 174.900 -0.124 0.000 1.005 119 G CA 0.437 45.455 45.100 -0.136 0.000 0.713 119 G HN 0.559 8.849 8.290 -0.000 0.000 0.515 120 Q N -0.499 119.206 119.800 -0.159 0.000 2.318 120 Q HA 0.306 4.651 4.340 0.007 0.000 0.371 120 Q C 1.271 177.236 176.000 -0.058 0.000 0.896 120 Q CA -0.572 55.176 55.803 -0.091 0.000 1.134 120 Q CB 0.344 29.060 28.738 -0.037 0.000 1.329 120 Q HN 0.215 8.485 8.270 -0.000 0.000 0.413 121 N N 0.692 119.353 118.700 -0.065 0.000 2.376 121 N HA -0.015 4.730 4.740 0.007 0.000 0.177 121 N C -0.281 175.267 175.510 0.063 0.000 1.024 121 N CA 0.683 53.713 53.050 -0.034 0.000 0.893 121 N CB 0.513 38.973 38.487 -0.045 0.000 0.980 121 N HN 0.184 8.564 8.380 -0.000 0.000 0.439 122 N N 0.427 119.146 118.700 0.032 0.000 2.904 122 N HA 0.203 4.947 4.740 0.007 0.000 0.257 122 N C -1.274 174.240 175.510 0.007 0.000 1.363 122 N CA -0.088 52.976 53.050 0.023 0.000 0.856 122 N CB 0.895 39.369 38.487 -0.022 0.000 1.166 122 N HN 0.120 8.500 8.380 -0.000 0.000 0.499 123 S N -1.610 114.132 115.700 0.071 0.000 2.683 123 S HA 0.530 5.004 4.470 0.007 0.000 0.269 123 S C -1.075 173.560 174.600 0.057 0.000 1.165 123 S CA -0.799 57.395 58.200 -0.009 0.000 0.840 123 S CB 1.178 64.295 63.200 -0.138 0.000 1.169 123 S HN -0.117 8.193 8.310 -0.000 0.000 0.490 124 V N 0.942 120.764 119.914 -0.152 0.000 2.581 124 V HA 0.777 4.901 4.120 0.007 0.000 0.303 124 V C -1.309 174.618 176.094 -0.279 0.000 1.041 124 V CA -0.444 61.836 62.300 -0.034 0.000 0.907 124 V CB 0.737 32.548 31.823 -0.018 0.000 0.994 124 V HN 0.773 8.963 8.190 -0.000 0.000 0.442 125 F N 0.879 120.961 119.950 0.221 0.000 2.578 125 F HA 0.582 5.114 4.527 0.007 0.000 0.311 125 F C 0.550 176.453 175.800 0.171 0.000 1.094 125 F CA -0.651 57.475 58.000 0.209 0.000 0.923 125 F CB 2.280 41.453 39.000 0.289 0.000 1.230 125 F HN 0.611 8.911 8.300 -0.000 0.000 0.450 126 T N 0.411 115.160 114.554 0.324 0.000 2.882 126 T HA 0.318 4.672 4.350 0.007 0.000 0.287 126 T C 1.179 176.026 174.700 0.244 0.000 1.014 126 T CA -0.752 61.487 62.100 0.232 0.000 1.049 126 T CB 0.785 69.776 68.868 0.204 0.000 1.001 126 T HN 0.583 8.823 8.240 -0.000 0.000 0.525 127 L N 0.566 121.897 121.223 0.180 0.000 2.083 127 L HA -0.049 4.295 4.340 0.007 0.000 0.209 127 L C 2.345 179.285 176.870 0.117 0.000 1.083 127 L CA 1.714 56.630 54.840 0.127 0.000 0.752 127 L CB -0.930 41.179 42.059 0.083 0.000 0.899 127 L HN 0.803 9.033 8.230 -0.000 0.000 0.433 128 Y N 1.280 121.610 120.300 0.051 0.000 2.114 128 Y HA -0.301 4.253 4.550 0.007 0.000 0.284 128 Y C 2.726 178.650 175.900 0.041 0.000 1.143 128 Y CA 2.042 60.159 58.100 0.028 0.000 1.135 128 Y CB -0.185 38.291 38.460 0.027 0.000 0.980 128 Y HN 0.182 8.462 8.280 -0.000 0.000 0.499 129 E N 0.012 120.331 120.200 0.199 0.000 2.136 129 E HA -0.295 4.059 4.350 0.007 0.000 0.202 129 E C 2.113 178.742 176.600 0.047 0.000 1.019 129 E CA 2.048 58.546 56.400 0.164 0.000 0.819 129 E CB -0.429 29.453 29.700 0.304 0.000 0.739 129 E HN 0.581 8.941 8.360 -0.000 0.000 0.458 130 L N -0.321 120.917 121.223 0.024 0.000 2.056 130 L HA -0.155 4.189 4.340 0.007 0.000 0.207 130 L C 2.599 179.419 176.870 -0.084 0.000 1.078 130 L CA 1.567 56.359 54.840 -0.081 0.000 0.749 130 L CB -0.221 41.773 42.059 -0.109 0.000 0.901 130 L HN 0.157 8.387 8.230 -0.000 0.000 0.433 131 T N -1.070 113.384 114.554 -0.166 0.000 3.014 131 T HA 0.029 4.383 4.350 0.007 0.000 0.263 131 T C 1.268 175.715 174.700 -0.422 0.000 1.078 131 T CA 0.855 62.801 62.100 -0.256 0.000 1.135 131 T CB 0.060 68.752 68.868 -0.293 0.000 0.895 131 T HN 0.289 8.529 8.240 -0.000 0.000 0.480 132 N N 0.006 118.435 118.700 -0.452 0.000 2.118 132 N HA 0.168 4.912 4.740 0.007 0.000 0.226 132 N C 0.941 176.342 175.510 -0.181 0.000 1.305 132 N CA -0.081 52.682 53.050 -0.478 0.000 0.890 132 N CB 0.698 38.631 38.487 -0.923 0.000 1.118 132 N HN 0.297 8.677 8.380 -0.000 0.000 0.511 133 G N 1.018 109.751 108.800 -0.110 0.000 2.744 133 G HA2 -0.025 3.940 3.960 0.007 0.000 0.257 133 G HA3 -0.025 3.940 3.960 0.007 0.000 0.257 133 G C 0.759 175.684 174.900 0.042 0.000 1.244 133 G CA -0.042 45.071 45.100 0.021 0.000 0.916 133 G HN 0.080 8.370 8.290 -0.000 0.000 0.564 134 E N -0.858 119.381 120.200 0.065 0.000 2.060 134 E HA -0.049 4.306 4.350 0.007 0.000 0.189 134 E C 2.002 178.628 176.600 0.042 0.000 0.974 134 E CA 0.746 57.174 56.400 0.046 0.000 0.808 134 E CB 0.087 29.824 29.700 0.061 0.000 0.768 134 E HN 0.471 8.831 8.360 -0.000 0.000 0.453 135 D N -0.177 120.283 120.400 0.100 0.000 2.172 135 D HA -0.162 4.482 4.640 0.007 0.000 0.196 135 D C 1.710 178.047 176.300 0.060 0.000 0.999 135 D CA 1.421 55.531 54.000 0.183 0.000 0.856 135 D CB -0.221 40.801 40.800 0.370 0.000 0.934 135 D HN 0.108 8.478 8.370 -0.000 0.000 0.453 136 T N -0.622 113.837 114.554 -0.159 0.000 2.815 136 T HA -0.039 4.315 4.350 0.007 0.000 0.244 136 T C 1.334 175.836 174.700 -0.330 0.000 1.040 136 T CA 0.681 62.522 62.100 -0.431 0.000 1.176 136 T CB -0.002 68.582 68.868 -0.473 0.000 0.880 136 T HN 0.157 8.397 8.240 -0.000 0.000 0.414 137 E N 0.314 120.353 120.200 -0.269 0.000 3.669 137 E HA -0.320 4.035 4.350 0.007 0.000 0.207 137 E C 0.846 177.169 176.600 -0.462 0.000 1.116 137 E CA 2.139 58.238 56.400 -0.501 0.000 1.909 137 E CB -0.585 28.918 29.700 -0.327 0.000 1.785 137 E HN 0.388 8.748 8.360 -0.000 0.000 0.315 138 D N 0.351 120.574 120.400 -0.294 0.000 2.328 138 D HA 0.063 4.708 4.640 0.007 0.000 0.226 138 D C 0.175 176.334 176.300 -0.234 0.000 1.066 138 D CA 0.393 54.264 54.000 -0.215 0.000 0.861 138 D CB 0.114 40.846 40.800 -0.114 0.000 0.912 138 D HN 0.139 8.509 8.370 -0.000 0.000 0.521 139 E N 0.136 120.089 120.200 -0.413 0.000 2.280 139 E HA 0.174 4.529 4.350 0.007 0.000 0.261 139 E C 1.295 177.628 176.600 -0.445 0.000 1.088 139 E CA -0.282 55.775 56.400 -0.573 0.000 0.915 139 E CB 0.832 29.761 29.700 -1.285 0.000 1.141 139 E HN -0.048 8.312 8.360 -0.000 0.000 0.433 140 E N 0.472 120.495 120.200 -0.295 0.000 2.216 140 E HA -0.090 4.264 4.350 0.007 0.000 0.192 140 E C 1.285 177.973 176.600 0.147 0.000 0.988 140 E CA 0.650 57.115 56.400 0.108 0.000 0.834 140 E CB -0.162 29.773 29.700 0.391 0.000 0.772 140 E HN 0.498 8.858 8.360 -0.000 0.000 0.479 141 F N -0.150 119.834 119.950 0.057 0.000 2.797 141 F HA 0.174 4.705 4.527 0.008 0.000 0.302 141 F C 1.116 176.771 175.800 -0.241 0.000 1.130 141 F CA -0.260 57.586 58.000 -0.257 0.000 1.387 141 F CB -0.684 38.137 39.000 -0.298 0.000 1.107 141 F HN -0.100 8.200 8.300 -0.000 0.000 0.577 142 H N 1.752 120.624 119.070 -0.330 0.000 2.929 142 H HA 0.318 4.878 4.556 0.007 0.000 0.317 142 H C 1.275 176.504 175.328 -0.165 0.000 1.031 142 H CA 0.835 56.729 56.048 -0.257 0.000 1.466 142 H CB 0.901 30.495 29.762 -0.280 0.000 1.482 142 H HN 0.559 8.839 8.280 -0.000 0.000 0.561 143 G N 4.748 113.191 108.800 -0.594 0.000 2.157 143 G HA2 -0.237 3.727 3.960 0.007 0.000 0.248 143 G HA3 -0.237 3.727 3.960 0.007 0.000 0.248 143 G C 0.309 175.081 174.900 -0.213 0.000 0.979 143 G CA 0.107 44.981 45.100 -0.377 0.000 0.650 143 G HN 0.616 8.906 8.290 -0.000 0.000 0.529 144 L N 2.302 123.371 121.223 -0.256 0.000 2.418 144 L HA 0.359 4.703 4.340 0.007 0.000 0.274 144 L C 0.785 177.519 176.870 -0.227 0.000 1.135 144 L CA 0.494 55.157 54.840 -0.296 0.000 0.870 144 L CB -0.012 41.731 42.059 -0.526 0.000 1.154 144 L HN 0.521 8.751 8.230 -0.000 0.000 0.462 145 D N 2.912 123.222 120.400 -0.150 0.000 2.419 145 D HA -0.076 4.568 4.640 0.007 0.000 0.236 145 D C 0.903 177.137 176.300 -0.110 0.000 1.165 145 D CA -0.075 53.864 54.000 -0.100 0.000 0.882 145 D CB 0.670 41.444 40.800 -0.043 0.000 1.201 145 D HN 0.563 8.933 8.370 -0.000 0.000 0.443 146 E N 1.113 121.269 120.200 -0.073 0.000 2.130 146 E HA -0.282 4.073 4.350 0.007 0.000 0.196 146 E C 1.958 178.523 176.600 -0.058 0.000 0.998 146 E CA 1.440 57.804 56.400 -0.060 0.000 0.806 146 E CB -0.212 29.474 29.700 -0.024 0.000 0.738 146 E HN 0.671 9.031 8.360 -0.000 0.000 0.459 147 A N 0.989 123.783 122.820 -0.044 0.000 1.872 147 A HA -0.134 4.190 4.320 0.007 0.000 0.214 147 A C 2.418 179.976 177.584 -0.043 0.000 1.187 147 A CA 1.725 53.745 52.037 -0.028 0.000 0.614 147 A CB -0.836 18.160 19.000 -0.007 0.000 0.826 147 A HN 0.158 8.308 8.150 -0.000 0.000 0.442 148 T N 0.302 114.816 114.554 -0.068 0.000 2.759 148 T HA -0.161 4.194 4.350 0.007 0.000 0.269 148 T C 1.800 176.411 174.700 -0.149 0.000 1.042 148 T CA 1.574 63.618 62.100 -0.093 0.000 1.140 148 T CB -0.368 68.416 68.868 -0.140 0.000 0.864 148 T HN 0.305 8.545 8.240 -0.000 0.000 0.455 149 L N 0.744 121.857 121.223 -0.184 0.000 2.046 149 L HA 0.004 4.348 4.340 0.007 0.000 0.208 149 L C 2.118 178.929 176.870 -0.097 0.000 1.077 149 L CA 1.431 56.163 54.840 -0.180 0.000 0.747 149 L CB -0.709 41.250 42.059 -0.165 0.000 0.896 149 L HN 0.158 8.388 8.230 -0.000 0.000 0.432 150 L N -0.398 120.787 121.223 -0.064 0.000 1.955 150 L HA -0.216 4.128 4.340 0.007 0.000 0.213 150 L C 2.866 179.719 176.870 -0.029 0.000 1.072 150 L CA 1.711 56.529 54.840 -0.037 0.000 0.755 150 L CB -1.272 40.775 42.059 -0.021 0.000 0.888 150 L HN 0.354 8.584 8.230 -0.000 0.000 0.432 151 R N -0.098 120.393 120.500 -0.015 0.000 2.134 151 R HA -0.234 4.110 4.340 0.007 0.000 0.248 151 R C 2.101 178.404 176.300 0.005 0.000 1.143 151 R CA 1.639 57.741 56.100 0.003 0.000 0.957 151 R CB -1.380 28.934 30.300 0.023 0.000 0.867 151 R HN 0.464 8.734 8.270 -0.000 0.000 0.441 152 A N 1.355 124.179 122.820 0.007 0.000 1.859 152 A HA -0.188 4.136 4.320 0.007 0.000 0.218 152 A C 2.191 179.769 177.584 -0.010 0.000 1.209 152 A CA 1.706 53.759 52.037 0.027 0.000 0.639 152 A CB -0.628 18.374 19.000 0.004 0.000 0.835 152 A HN 0.164 8.314 8.150 -0.000 0.000 0.450 153 L N -0.319 120.877 121.223 -0.044 0.000 2.275 153 L HA -0.098 4.247 4.340 0.007 0.000 0.215 153 L C 2.502 179.326 176.870 -0.077 0.000 1.119 153 L CA 1.582 56.373 54.840 -0.082 0.000 0.790 153 L CB -0.990 41.009 42.059 -0.099 0.000 0.919 153 L HN 0.496 8.726 8.230 -0.000 0.000 0.443 154 Q N -1.530 118.241 119.800 -0.048 0.000 2.331 154 Q HA 0.028 4.373 4.340 0.007 0.000 0.203 154 Q C 2.214 178.191 176.000 -0.038 0.000 0.944 154 Q CA 0.959 56.737 55.803 -0.041 0.000 0.892 154 Q CB 0.086 28.811 28.738 -0.022 0.000 0.983 154 Q HN 0.535 8.805 8.270 -0.000 0.000 0.482 155 A N 0.274 123.076 122.820 -0.030 0.000 1.903 155 A HA -0.082 4.242 4.320 0.007 0.000 0.213 155 A C 1.849 179.405 177.584 -0.048 0.000 1.185 155 A CA 0.570 52.590 52.037 -0.028 0.000 0.628 155 A CB -0.275 18.719 19.000 -0.010 0.000 0.830 155 A HN 0.246 8.396 8.150 -0.000 0.000 0.446 156 L N -0.040 121.149 121.223 -0.058 0.000 2.131 156 L HA -0.161 4.184 4.340 0.007 0.000 0.210 156 L C 2.518 179.310 176.870 -0.130 0.000 1.092 156 L CA 2.134 56.920 54.840 -0.089 0.000 0.759 156 L CB -0.781 41.229 42.059 -0.081 0.000 0.903 156 L HN 0.602 8.832 8.230 -0.000 0.000 0.435 157 Q N -1.394 118.331 119.800 -0.125 0.000 2.016 157 Q HA -0.267 4.077 4.340 0.007 0.000 0.200 157 Q C 2.203 178.141 176.000 -0.102 0.000 0.978 157 Q CA 1.522 57.239 55.803 -0.143 0.000 0.833 157 Q CB -0.049 28.622 28.738 -0.112 0.000 0.895 157 Q HN 0.357 8.627 8.270 -0.000 0.000 0.427 158 Q N 0.584 120.347 119.800 -0.062 0.000 2.234 158 Q HA -0.177 4.167 4.340 0.007 0.000 0.206 158 Q C 0.935 176.926 176.000 -0.014 0.000 0.980 158 Q CA 1.638 57.423 55.803 -0.031 0.000 0.869 158 Q CB 0.146 28.867 28.738 -0.028 0.000 0.912 158 Q HN 0.458 8.728 8.270 -0.000 0.000 0.436 159 E N -1.380 118.799 120.200 -0.035 0.000 2.044 159 E HA -0.058 4.296 4.350 0.007 0.000 0.209 159 E C 0.451 177.098 176.600 0.078 0.000 0.917 159 E CA 0.880 57.259 56.400 -0.035 0.000 0.963 159 E CB 0.039 29.692 29.700 -0.079 0.000 0.919 159 E HN 0.285 8.645 8.360 -0.000 0.000 0.528 160 H N -1.669 117.272 119.070 -0.214 0.000 3.606 160 H HA 0.228 4.789 4.556 0.007 0.000 0.271 160 H C -0.306 174.779 175.328 -0.404 0.000 1.145 160 H CA -0.145 55.729 56.048 -0.291 0.000 1.059 160 H CB 0.370 30.012 29.762 -0.200 0.000 2.988 160 H HN 0.021 8.301 8.280 -0.000 0.000 0.767 161 K N -0.318 119.919 120.400 -0.272 0.000 2.355 161 K HA 0.663 4.988 4.320 0.007 0.000 0.198 161 K C -0.000 176.539 176.600 -0.102 0.000 1.039 161 K CA 0.484 56.659 56.287 -0.186 0.000 1.075 161 K CB 1.655 33.979 32.500 -0.292 0.000 0.870 161 K HN 0.128 8.378 8.250 -0.000 0.000 0.540 162 A N 1.455 124.096 122.820 -0.299 0.000 2.566 162 A HA 0.405 4.729 4.320 0.007 0.000 0.297 162 A C -1.779 175.672 177.584 -0.222 0.000 1.059 162 A CA -0.628 51.262 52.037 -0.245 0.000 0.691 162 A CB 1.587 20.333 19.000 -0.422 0.000 1.282 162 A HN 0.080 8.230 8.150 -0.000 0.000 0.401 163 E N 1.707 121.887 120.200 -0.033 0.000 2.210 163 E HA 0.570 4.925 4.350 0.007 0.000 0.266 163 E C -0.746 175.847 176.600 -0.012 0.000 0.883 163 E CA -0.699 55.699 56.400 -0.004 0.000 0.761 163 E CB 1.282 31.061 29.700 0.132 0.000 1.156 163 E HN 0.758 9.118 8.360 -0.000 0.000 0.412 164 I N 3.939 124.493 120.570 -0.027 0.000 2.325 164 I HA 0.271 4.445 4.170 0.007 0.000 0.291 164 I C -0.453 175.673 176.117 0.015 0.000 1.019 164 I CA -0.633 60.660 61.300 -0.012 0.000 1.302 164 I CB 0.442 38.428 38.000 -0.024 0.000 1.401 164 I HN 0.493 8.703 8.210 -0.000 0.000 0.485 165 I N 5.137 125.727 120.570 0.033 0.000 5.919 165 I HA 0.381 4.555 4.170 0.007 0.000 0.200 165 I C 1.141 177.279 176.117 0.034 0.000 0.707 165 I CA -0.218 61.105 61.300 0.038 0.000 2.435 165 I CB 0.163 38.193 38.000 0.051 0.000 1.363 165 I HN 0.778 8.988 8.210 -0.000 0.000 0.496 166 T N -1.066 113.511 114.554 0.038 0.000 3.415 166 T HA 0.111 4.465 4.350 0.007 0.000 0.275 166 T C 0.226 174.946 174.700 0.033 0.000 0.864 166 T CA 0.388 62.507 62.100 0.032 0.000 0.796 166 T CB 0.124 69.005 68.868 0.023 0.000 1.240 166 T HN 0.248 8.488 8.240 -0.000 0.000 0.789 167 V N 1.869 121.806 119.914 0.037 0.000 2.305 167 V HA -0.365 3.760 4.120 0.007 0.000 0.142 167 V C 1.712 177.821 176.094 0.026 0.000 2.750 167 V CA 2.060 64.383 62.300 0.037 0.000 2.087 167 V CB -1.012 30.845 31.823 0.058 0.000 1.213 167 V HN 0.890 9.080 8.190 -0.000 0.000 0.465 168 S N 0.638 116.352 115.700 0.024 0.000 2.489 168 S HA -0.251 4.224 4.470 0.007 0.000 0.261 168 S C 0.577 175.182 174.600 0.009 0.000 1.059 168 S CA 2.313 60.521 58.200 0.013 0.000 1.372 168 S CB -0.537 62.670 63.200 0.012 0.000 1.253 168 S HN 1.005 9.315 8.310 -0.000 0.000 0.432 169 D N 1.324 121.728 120.400 0.006 0.000 2.963 169 D HA 0.668 5.312 4.640 0.007 0.000 0.361 169 D C 0.267 176.571 176.300 0.006 0.000 1.317 169 D CA 0.369 54.371 54.000 0.003 0.000 0.832 169 D CB 0.737 41.534 40.800 -0.005 0.000 1.135 169 D HN 0.607 8.977 8.370 -0.000 0.000 0.476 170 G N -0.368 108.442 108.800 0.017 0.000 2.588 170 G HA2 0.384 4.349 3.960 0.007 0.000 0.281 170 G HA3 0.384 4.349 3.960 0.007 0.000 0.281 170 G C -1.219 173.702 174.900 0.035 0.000 1.223 170 G CA -0.975 44.139 45.100 0.024 0.000 0.871 170 G HN 0.030 8.320 8.290 -0.000 0.000 0.492 171 R N -0.101 120.427 120.500 0.046 0.000 2.255 171 R HA 0.594 4.938 4.340 0.007 0.000 0.326 171 R C 0.131 176.475 176.300 0.074 0.000 0.986 171 R CA -0.079 56.052 56.100 0.051 0.000 0.847 171 R CB 1.582 31.909 30.300 0.046 0.000 1.111 171 R HN 0.689 8.959 8.270 -0.000 0.000 0.452 172 G N 0.741 109.584 108.800 0.072 0.000 2.788 172 G HA2 0.682 4.646 3.960 0.007 0.000 0.293 172 G HA3 0.682 4.646 3.960 0.007 0.000 0.293 172 G C -1.296 173.665 174.900 0.103 0.000 1.305 172 G CA -0.551 44.611 45.100 0.103 0.000 1.005 172 G HN 0.338 8.628 8.290 -0.000 0.000 0.496 173 V N -0.027 119.981 119.914 0.156 0.000 2.823 173 V HA 0.340 4.465 4.120 0.007 0.000 0.296 173 V C -0.620 175.608 176.094 0.223 0.000 1.250 173 V CA -0.961 61.408 62.300 0.114 0.000 0.939 173 V CB 1.946 33.781 31.823 0.019 0.000 1.062 173 V HN 0.798 8.988 8.190 -0.000 0.000 0.433 174 K N 3.243 123.732 120.400 0.147 0.000 2.156 174 K HA 0.698 5.022 4.320 0.007 0.000 0.271 174 K C -1.445 175.298 176.600 0.239 0.000 0.995 174 K CA -0.416 56.012 56.287 0.234 0.000 0.890 174 K CB 0.972 33.556 32.500 0.140 0.000 1.073 174 K HN 0.453 8.703 8.250 -0.000 0.000 0.454 175 F N 3.183 123.329 119.950 0.326 0.000 2.450 175 F HA 0.404 4.935 4.527 0.007 0.000 0.332 175 F C 0.075 176.099 175.800 0.374 0.000 1.093 175 F CA -0.514 57.726 58.000 0.400 0.000 1.003 175 F CB 0.765 39.969 39.000 0.339 0.000 1.151 175 F HN 0.390 8.690 8.300 -0.000 0.000 0.474 176 F N 0.000 120.153 119.950 0.338 0.000 2.286 176 F HA 0.000 4.531 4.527 0.007 0.000 0.279 176 F CA 0.000 58.146 58.000 0.243 0.000 1.383 176 F CB 0.000 39.086 39.000 0.143 0.000 1.145 176 F HN 0.000 8.300 8.300 -0.000 0.000 0.574