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 3df2_1_G DATA FIRST_RESID 1 DATA SEQUENCE SRVAKAPVVV PAGVDVKING QVITIKGKNG ELTRTLNDAV EVKHADNTLT DATA SEQUENCE FGPRDGYADG WAQAGTARAL LNSMVIGVTE GFTKKLQLVG VGYRAAVKGN DATA SEQUENCE VINLSLGFSH PVDHQLPAGI TAECPTQTEI VLKGADKQVI GQVAADLRAY DATA SEQUENCE RRPEPYKGKG VRYADEVVRT KEAKKK 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 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1 S C 0.000 174.597 174.600 -0.005 0.000 1.055 1 S CA 0.000 58.123 58.200 -0.128 0.000 1.107 1 S CB 0.000 62.892 63.200 -0.513 0.000 0.593 2 R N -0.701 119.782 120.500 -0.028 0.000 3.176 2 R HA -0.297 4.043 4.340 -0.000 0.000 0.242 2 R C 1.593 177.931 176.300 0.062 0.000 0.813 2 R CA 2.817 58.925 56.100 0.013 0.000 1.271 2 R CB -2.314 27.971 30.300 -0.026 0.000 0.686 2 R HN 1.202 9.472 8.270 -0.000 0.000 0.571 3 V N -1.673 118.264 119.914 0.038 0.000 3.241 3 V HA 0.075 4.195 4.120 -0.000 0.000 0.269 3 V C 1.950 178.073 176.094 0.047 0.000 1.151 3 V CA 2.095 64.412 62.300 0.028 0.000 1.158 3 V CB -0.495 31.325 31.823 -0.004 0.000 0.764 3 V HN 0.597 8.787 8.190 -0.000 0.000 0.508 4 A N 1.886 124.784 122.820 0.129 0.000 1.929 4 A HA -0.037 4.282 4.320 -0.000 0.000 0.216 4 A C 1.969 179.676 177.584 0.205 0.000 1.176 4 A CA 1.413 53.566 52.037 0.193 0.000 0.628 4 A CB -0.297 18.966 19.000 0.438 0.000 0.816 4 A HN 0.674 8.824 8.150 -0.000 0.000 0.444 5 K N 0.382 120.922 120.400 0.233 0.000 2.684 5 K HA 0.528 4.847 4.320 -0.000 0.000 0.215 5 K C 0.342 177.021 176.600 0.131 0.000 1.073 5 K CA 0.386 56.786 56.287 0.187 0.000 1.197 5 K CB -0.768 31.863 32.500 0.219 0.000 0.955 5 K HN 0.256 8.506 8.250 -0.000 0.000 0.473 6 A N 2.405 125.291 122.820 0.110 0.000 2.409 6 A HA 0.251 4.571 4.320 -0.000 0.000 0.246 6 A C -1.246 176.393 177.584 0.091 0.000 1.099 6 A CA -0.849 51.233 52.037 0.076 0.000 0.789 6 A CB -0.062 18.960 19.000 0.036 0.000 1.053 6 A HN 0.101 8.251 8.150 -0.000 0.000 0.503 7 P HA -0.039 4.381 4.420 -0.000 0.000 0.215 7 P C 1.002 178.353 177.300 0.086 0.000 1.153 7 P CA 2.038 65.177 63.100 0.065 0.000 0.853 7 P CB -0.034 31.693 31.700 0.045 0.000 0.788 8 V N -4.941 115.032 119.914 0.099 0.000 0.542 8 V HA -0.321 3.799 4.120 -0.000 0.000 0.092 8 V C 0.761 176.907 176.094 0.086 0.000 2.107 8 V CA 1.239 63.623 62.300 0.140 0.000 3.514 8 V CB -2.260 29.687 31.823 0.207 0.000 0.805 8 V HN -0.007 8.183 8.190 -0.000 0.000 0.840 9 V N -1.559 118.393 119.914 0.063 0.000 3.648 9 V HA -0.130 3.990 4.120 -0.000 0.000 0.521 9 V C -0.310 175.808 176.094 0.040 0.000 0.682 9 V CA 0.828 63.154 62.300 0.044 0.000 2.077 9 V CB -0.506 31.337 31.823 0.033 0.000 2.491 9 V HN 1.409 9.599 8.190 -0.000 0.000 0.514 10 V N 5.672 125.609 119.914 0.037 0.000 2.658 10 V HA 0.305 4.425 4.120 -0.000 0.000 0.259 10 V C -1.662 174.452 176.094 0.034 0.000 0.933 10 V CA -0.720 61.604 62.300 0.040 0.000 0.871 10 V CB 1.406 33.268 31.823 0.065 0.000 1.062 10 V HN 0.937 9.127 8.190 -0.000 0.000 0.479 11 P HA 0.225 4.645 4.420 -0.000 0.000 0.286 11 P C -0.199 177.109 177.300 0.014 0.000 1.278 11 P CA -0.028 63.080 63.100 0.013 0.000 0.785 11 P CB 0.547 32.249 31.700 0.003 0.000 1.269 12 A N -0.628 122.196 122.820 0.007 0.000 2.290 12 A HA 0.548 4.868 4.320 -0.000 0.000 0.310 12 A C 0.978 178.564 177.584 0.003 0.000 1.202 12 A CA 0.273 52.314 52.037 0.006 0.000 0.837 12 A CB -0.415 18.587 19.000 0.002 0.000 1.139 12 A HN 0.787 8.937 8.150 -0.000 0.000 0.509 13 G N 0.827 109.631 108.800 0.006 0.000 2.194 13 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.236 13 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.236 13 G C 0.385 175.289 174.900 0.007 0.000 0.987 13 G CA 0.246 45.348 45.100 0.004 0.000 0.635 13 G HN 2.172 10.462 8.290 -0.000 0.000 0.520 14 V N -0.419 119.502 119.914 0.012 0.000 2.432 14 V HA 0.639 4.759 4.120 -0.000 0.000 0.271 14 V C 1.332 177.442 176.094 0.026 0.000 1.046 14 V CA 0.376 62.686 62.300 0.017 0.000 0.945 14 V CB 1.417 33.252 31.823 0.019 0.000 0.992 14 V HN 0.232 8.422 8.190 -0.000 0.000 0.471 15 D N 4.478 124.892 120.400 0.024 0.000 2.205 15 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 15 D C 0.685 177.012 176.300 0.045 0.000 1.002 15 D CA 2.505 56.522 54.000 0.029 0.000 0.848 15 D CB -0.092 40.723 40.800 0.024 0.000 0.975 15 D HN 1.063 9.433 8.370 -0.000 0.000 0.449 16 V N -0.316 119.623 119.914 0.042 0.000 5.534 16 V HA -0.247 3.873 4.120 -0.000 0.000 0.325 16 V C 0.093 176.228 176.094 0.069 0.000 0.622 16 V CA 0.910 63.241 62.300 0.052 0.000 1.198 16 V CB -1.765 30.124 31.823 0.111 0.000 1.407 16 V HN 0.490 8.680 8.190 -0.000 0.000 0.477 17 K N 2.410 122.831 120.400 0.035 0.000 2.118 17 K HA 0.885 5.205 4.320 -0.000 0.000 0.254 17 K C -0.694 175.916 176.600 0.016 0.000 0.961 17 K CA -1.008 55.299 56.287 0.033 0.000 0.876 17 K CB 1.960 34.474 32.500 0.023 0.000 1.077 17 K HN 0.496 8.746 8.250 -0.000 0.000 0.440 18 I N 2.305 122.888 120.570 0.022 0.000 2.680 18 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 18 I C -2.115 174.004 176.117 0.004 0.000 1.244 18 I CA -0.274 61.028 61.300 0.003 0.000 1.042 18 I CB 2.045 40.051 38.000 0.010 0.000 1.277 18 I HN 0.728 8.938 8.210 -0.000 0.000 0.423 19 N N 5.742 124.439 118.700 -0.005 0.000 2.752 19 N HA 0.607 5.347 4.740 -0.000 0.000 0.260 19 N C 0.434 175.939 175.510 -0.009 0.000 1.562 19 N CA 0.196 53.244 53.050 -0.003 0.000 0.788 19 N CB 1.515 40.003 38.487 0.001 0.000 1.192 19 N HN 1.019 9.399 8.380 -0.000 0.000 0.503 20 G N 0.778 109.569 108.800 -0.015 0.000 5.229 20 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.250 20 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.250 20 G C 0.647 175.528 174.900 -0.032 0.000 1.380 20 G CA 0.304 45.391 45.100 -0.020 0.000 0.933 20 G HN 0.412 8.702 8.290 -0.000 0.000 0.731 21 Q N -0.052 119.734 119.800 -0.024 0.000 2.113 21 Q HA 0.411 4.751 4.340 -0.000 0.000 0.225 21 Q C 0.291 176.282 176.000 -0.014 0.000 0.786 21 Q CA 0.457 56.243 55.803 -0.028 0.000 0.989 21 Q CB 1.869 30.593 28.738 -0.024 0.000 1.174 21 Q HN 0.552 8.822 8.270 -0.000 0.000 0.470 22 V N 1.471 121.379 119.914 -0.009 0.000 2.532 22 V HA 0.547 4.667 4.120 -0.000 0.000 0.295 22 V C -0.097 175.996 176.094 -0.002 0.000 1.041 22 V CA -0.576 61.724 62.300 0.000 0.000 0.926 22 V CB 1.620 33.445 31.823 0.004 0.000 0.992 22 V HN 0.004 8.194 8.190 -0.000 0.000 0.457 23 I N 2.379 122.955 120.570 0.009 0.000 2.656 23 I HA 0.618 4.788 4.170 -0.000 0.000 0.292 23 I C -0.263 175.866 176.117 0.019 0.000 1.144 23 I CA -0.031 61.274 61.300 0.009 0.000 1.038 23 I CB 2.697 40.705 38.000 0.013 0.000 1.244 23 I HN 0.700 8.910 8.210 -0.000 0.000 0.420 24 T N 5.129 119.693 114.554 0.018 0.000 2.886 24 T HA 0.808 5.158 4.350 -0.000 0.000 0.292 24 T C -0.699 174.016 174.700 0.025 0.000 1.012 24 T CA -0.393 61.720 62.100 0.022 0.000 0.982 24 T CB 1.631 70.511 68.868 0.019 0.000 1.018 24 T HN 0.176 8.416 8.240 -0.000 0.000 0.451 25 I N 2.356 122.943 120.570 0.029 0.000 2.468 25 I HA 0.499 4.669 4.170 -0.000 0.000 0.285 25 I C -0.112 176.020 176.117 0.026 0.000 1.039 25 I CA -0.542 60.775 61.300 0.029 0.000 1.074 25 I CB 1.849 39.870 38.000 0.035 0.000 1.228 25 I HN 0.458 8.668 8.210 -0.000 0.000 0.436 26 K N 3.961 124.373 120.400 0.021 0.000 2.306 26 K HA 0.952 5.272 4.320 -0.000 0.000 0.236 26 K C -0.268 176.338 176.600 0.011 0.000 1.013 26 K CA -0.521 55.775 56.287 0.016 0.000 0.857 26 K CB 2.448 34.956 32.500 0.014 0.000 1.214 26 K HN 0.796 9.046 8.250 -0.000 0.000 0.449 27 G N 1.043 109.847 108.800 0.006 0.000 2.367 27 G HA2 0.031 3.991 3.960 -0.000 0.000 0.272 27 G HA3 0.031 3.991 3.960 -0.000 0.000 0.272 27 G C -1.686 173.210 174.900 -0.006 0.000 1.271 27 G CA -0.755 44.345 45.100 -0.001 0.000 0.893 27 G HN 0.670 8.960 8.290 -0.000 0.000 0.485 28 K N 0.194 120.586 120.400 -0.013 0.000 2.295 28 K HA 0.439 4.759 4.320 -0.000 0.000 0.270 28 K C 0.844 177.430 176.600 -0.024 0.000 1.011 28 K CA 0.784 57.060 56.287 -0.018 0.000 0.953 28 K CB 1.310 33.796 32.500 -0.023 0.000 0.956 28 K HN 1.000 9.250 8.250 -0.000 0.000 0.477 29 N N 0.561 119.250 118.700 -0.019 0.000 3.078 29 N HA -0.226 4.514 4.740 -0.000 0.000 0.221 29 N C -0.100 175.407 175.510 -0.006 0.000 0.163 29 N CA 2.233 55.271 53.050 -0.019 0.000 3.866 29 N CB -1.545 36.916 38.487 -0.043 0.000 1.005 29 N HN 0.906 9.286 8.380 -0.000 0.000 0.246 30 G N 0.055 108.850 108.800 -0.008 0.000 2.322 30 G HA2 0.533 4.493 3.960 -0.000 0.000 0.309 30 G HA3 0.533 4.493 3.960 -0.000 0.000 0.309 30 G C -1.207 173.701 174.900 0.013 0.000 1.121 30 G CA -0.124 44.984 45.100 0.014 0.000 0.886 30 G HN 0.336 8.626 8.290 -0.000 0.000 0.447 31 E N 1.784 121.995 120.200 0.019 0.000 2.141 31 E HA 0.516 4.866 4.350 -0.000 0.000 0.259 31 E C 0.142 176.754 176.600 0.020 0.000 0.883 31 E CA -0.420 55.989 56.400 0.016 0.000 0.744 31 E CB 1.290 30.997 29.700 0.012 0.000 1.150 31 E HN 0.551 8.911 8.360 -0.000 0.000 0.420 32 L N 1.624 122.860 121.223 0.021 0.000 0.609 32 L HA -0.205 4.135 4.340 -0.000 0.000 0.356 32 L C -0.461 176.426 176.870 0.029 0.000 1.005 32 L CA 0.673 55.527 54.840 0.023 0.000 1.222 32 L CB -0.681 41.389 42.059 0.019 0.000 0.046 32 L HN 0.738 8.968 8.230 -0.000 0.000 0.101 33 T N 0.472 115.044 114.554 0.030 0.000 2.933 33 T HA 0.815 5.165 4.350 -0.000 0.000 0.305 33 T C -0.877 173.841 174.700 0.029 0.000 1.092 33 T CA -1.346 60.774 62.100 0.034 0.000 1.008 33 T CB 2.507 71.403 68.868 0.045 0.000 1.102 33 T HN 0.487 8.727 8.240 -0.000 0.000 0.469 34 R N 1.683 122.199 120.500 0.026 0.000 2.338 34 R HA 0.833 5.173 4.340 -0.000 0.000 0.317 34 R C -0.736 175.578 176.300 0.023 0.000 0.968 34 R CA -0.781 55.333 56.100 0.023 0.000 0.849 34 R CB 1.118 31.429 30.300 0.018 0.000 1.128 34 R HN 0.876 9.146 8.270 -0.000 0.000 0.448 35 T N 3.295 117.864 114.554 0.025 0.000 3.097 35 T HA 0.404 4.754 4.350 -0.000 0.000 0.332 35 T C -0.992 173.724 174.700 0.027 0.000 1.269 35 T CA -0.694 61.422 62.100 0.027 0.000 1.076 35 T CB 1.546 70.437 68.868 0.038 0.000 1.209 35 T HN 0.080 8.320 8.240 -0.000 0.000 0.474 36 L N 3.135 124.372 121.223 0.023 0.000 2.342 36 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 36 L C 0.197 177.079 176.870 0.021 0.000 1.008 36 L CA -0.744 54.108 54.840 0.019 0.000 0.818 36 L CB 1.759 43.828 42.059 0.016 0.000 1.296 36 L HN 0.597 8.827 8.230 -0.000 0.000 0.427 37 N N 0.606 119.314 118.700 0.013 0.000 3.040 37 N HA 0.580 5.320 4.740 -0.000 0.000 0.339 37 N C 0.107 175.608 175.510 -0.015 0.000 1.387 37 N CA -0.333 52.720 53.050 0.005 0.000 0.745 37 N CB 1.201 39.691 38.487 0.005 0.000 1.237 37 N HN 0.680 9.060 8.380 -0.000 0.000 0.565 38 D N -2.568 117.796 120.400 -0.061 0.000 2.090 38 D HA 0.038 4.678 4.640 -0.000 0.000 0.132 38 D C 0.024 176.121 176.300 -0.338 0.000 1.489 38 D CA -0.019 53.928 54.000 -0.089 0.000 1.067 38 D CB -0.333 40.471 40.800 0.007 0.000 2.840 38 D HN 0.363 8.733 8.370 -0.000 0.000 0.222 39 A N 1.045 123.645 122.820 -0.367 0.000 2.460 39 A HA 0.525 4.845 4.320 -0.000 0.000 0.258 39 A C 0.250 177.624 177.584 -0.349 0.000 1.300 39 A CA -0.104 51.531 52.037 -0.671 0.000 0.913 39 A CB 0.146 18.937 19.000 -0.349 0.000 1.031 39 A HN 0.132 8.282 8.150 -0.000 0.000 0.512 40 V N 1.008 120.794 119.914 -0.213 0.000 2.304 40 V HA 0.168 4.288 4.120 -0.000 0.000 0.269 40 V C 0.600 176.616 176.094 -0.130 0.000 1.036 40 V CA -0.284 61.958 62.300 -0.097 0.000 0.840 40 V CB 0.640 32.488 31.823 0.042 0.000 1.036 40 V HN 0.613 8.803 8.190 -0.000 0.000 0.466 41 E N 3.331 123.433 120.200 -0.164 0.000 2.528 41 E HA 0.074 4.424 4.350 -0.000 0.000 0.237 41 E C 0.477 176.973 176.600 -0.173 0.000 1.408 41 E CA -0.284 56.018 56.400 -0.164 0.000 1.571 41 E CB 0.471 30.072 29.700 -0.165 0.000 1.395 41 E HN 0.655 9.015 8.360 -0.000 0.000 0.438 42 V N 1.658 121.450 119.914 -0.203 0.000 2.726 42 V HA -0.136 3.984 4.120 -0.000 0.000 0.304 42 V C -0.097 175.805 176.094 -0.320 0.000 1.115 42 V CA 0.850 62.912 62.300 -0.396 0.000 1.264 42 V CB 0.451 31.977 31.823 -0.497 0.000 0.867 42 V HN 0.273 8.463 8.190 -0.000 0.000 0.498 43 K N 4.602 124.793 120.400 -0.349 0.000 2.331 43 K HA 0.444 4.764 4.320 -0.000 0.000 0.238 43 K C 0.054 176.534 176.600 -0.199 0.000 1.058 43 K CA -0.804 55.362 56.287 -0.201 0.000 0.871 43 K CB 1.585 34.007 32.500 -0.130 0.000 1.292 43 K HN 0.859 9.109 8.250 -0.000 0.000 0.470 44 H N -0.583 118.403 119.070 -0.139 0.000 2.027 44 H HA 0.212 4.768 4.556 -0.000 0.000 0.209 44 H C 0.895 176.179 175.328 -0.074 0.000 0.903 44 H CA 1.615 57.598 56.048 -0.109 0.000 1.078 44 H CB 0.745 30.455 29.762 -0.088 0.000 1.248 44 H HN 0.724 9.004 8.280 -0.000 0.000 0.432 45 A N 0.848 123.730 122.820 0.104 0.000 4.453 45 A HA -0.357 3.963 4.320 -0.000 0.000 0.327 45 A C 1.350 178.939 177.584 0.008 0.000 1.888 45 A CA 2.672 54.727 52.037 0.031 0.000 0.787 45 A CB -2.152 16.862 19.000 0.024 0.000 1.389 45 A HN 0.622 8.772 8.150 -0.000 0.000 0.476 46 D N 0.326 120.752 120.400 0.042 0.000 2.562 46 D HA 0.290 4.930 4.640 -0.000 0.000 0.271 46 D C 1.096 177.419 176.300 0.038 0.000 1.198 46 D CA 0.894 54.903 54.000 0.016 0.000 1.071 46 D CB -1.000 39.814 40.800 0.024 0.000 1.011 46 D HN 0.762 9.132 8.370 -0.000 0.000 0.327 47 N N -0.938 117.807 118.700 0.075 0.000 2.428 47 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 47 N C 0.455 176.091 175.510 0.210 0.000 1.028 47 N CA 0.847 53.969 53.050 0.120 0.000 0.877 47 N CB -0.777 37.746 38.487 0.060 0.000 1.064 47 N HN 0.465 8.845 8.380 -0.000 0.000 0.434 48 T N -0.619 114.005 114.554 0.116 0.000 2.926 48 T HA 0.254 4.604 4.350 -0.000 0.000 0.307 48 T C 0.222 174.920 174.700 -0.004 0.000 1.059 48 T CA -0.855 61.280 62.100 0.058 0.000 1.122 48 T CB 0.824 69.720 68.868 0.045 0.000 0.972 48 T HN 0.171 8.411 8.240 -0.000 0.000 0.545 49 L N 1.903 123.046 121.223 -0.133 0.000 2.479 49 L HA 0.632 4.972 4.340 -0.000 0.000 0.249 49 L C 0.428 177.160 176.870 -0.230 0.000 1.178 49 L CA 0.259 54.896 54.840 -0.339 0.000 0.811 49 L CB 1.276 43.089 42.059 -0.412 0.000 1.187 49 L HN 1.026 9.256 8.230 -0.000 0.000 0.480 50 T N 0.877 115.170 114.554 -0.435 0.000 2.900 50 T HA 0.584 4.934 4.350 -0.000 0.000 0.303 50 T C -1.475 172.852 174.700 -0.620 0.000 1.142 50 T CA -0.134 61.789 62.100 -0.295 0.000 1.007 50 T CB 1.011 69.785 68.868 -0.156 0.000 1.156 50 T HN 0.215 8.455 8.240 -0.000 0.000 0.490 51 F N 0.789 120.696 119.950 -0.071 0.000 2.562 51 F HA 0.686 5.213 4.527 -0.000 0.000 0.319 51 F C 0.589 176.306 175.800 -0.138 0.000 1.154 51 F CA -0.563 57.383 58.000 -0.090 0.000 0.931 51 F CB 2.312 41.278 39.000 -0.057 0.000 1.198 51 F HN 0.797 9.097 8.300 -0.000 0.000 0.444 52 G N 2.361 111.120 108.800 -0.069 0.000 2.642 52 G HA2 0.679 4.639 3.960 -0.000 0.000 0.293 52 G HA3 0.679 4.639 3.960 -0.000 0.000 0.293 52 G C -3.363 171.349 174.900 -0.314 0.000 1.341 52 G CA -2.213 42.739 45.100 -0.248 0.000 0.916 52 G HN 0.172 8.462 8.290 -0.000 0.000 0.474 53 P HA 0.153 4.573 4.420 -0.000 0.000 0.266 53 P C -0.136 177.002 177.300 -0.271 0.000 1.215 53 P CA -0.343 62.488 63.100 -0.448 0.000 0.763 53 P CB 0.472 31.704 31.700 -0.779 0.000 0.806 54 R N 4.190 124.545 120.500 -0.242 0.000 2.449 54 R HA 0.069 4.409 4.340 -0.000 0.000 0.296 54 R C -0.131 176.164 176.300 -0.010 0.000 1.047 54 R CA 0.116 56.076 56.100 -0.233 0.000 1.018 54 R CB -0.181 29.765 30.300 -0.589 0.000 0.962 54 R HN 0.494 8.764 8.270 -0.000 0.000 0.428 55 D N 2.083 122.508 120.400 0.041 0.000 2.525 55 D HA 0.055 4.695 4.640 -0.000 0.000 0.235 55 D C 1.003 177.459 176.300 0.261 0.000 1.137 55 D CA 1.131 55.197 54.000 0.110 0.000 0.868 55 D CB 0.437 41.272 40.800 0.058 0.000 1.180 55 D HN 0.727 9.097 8.370 -0.000 0.000 0.465 56 G N 1.441 110.342 108.800 0.168 0.000 2.147 56 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 56 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 56 G C -0.562 174.317 174.900 -0.035 0.000 1.005 56 G CA -0.075 45.065 45.100 0.066 0.000 0.713 56 G HN 0.457 8.747 8.290 -0.000 0.000 0.515 57 Y N -0.763 119.543 120.300 0.010 0.000 2.326 57 Y HA 0.631 5.181 4.550 -0.000 0.000 0.329 57 Y C 1.204 177.127 175.900 0.039 0.000 0.973 57 Y CA -0.211 57.901 58.100 0.019 0.000 1.162 57 Y CB 1.485 39.952 38.460 0.012 0.000 1.147 57 Y HN 0.188 8.468 8.280 -0.000 0.000 0.456 58 A N 2.033 124.926 122.820 0.122 0.000 1.858 58 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 58 A C 1.805 179.475 177.584 0.142 0.000 1.190 58 A CA 1.916 54.018 52.037 0.109 0.000 0.617 58 A CB -0.432 18.603 19.000 0.058 0.000 0.827 58 A HN 0.831 8.981 8.150 -0.000 0.000 0.443 59 D N 0.267 120.754 120.400 0.145 0.000 2.358 59 D HA 0.100 4.740 4.640 -0.000 0.000 0.241 59 D C 0.987 177.387 176.300 0.167 0.000 1.094 59 D CA 0.676 54.759 54.000 0.139 0.000 0.907 59 D CB -0.798 40.073 40.800 0.119 0.000 0.893 59 D HN 0.324 8.694 8.370 -0.000 0.000 0.528 60 G N -0.540 108.381 108.800 0.201 0.000 2.443 60 G HA2 0.077 4.037 3.960 -0.000 0.000 0.286 60 G HA3 0.077 4.037 3.960 -0.000 0.000 0.286 60 G C 0.274 175.321 174.900 0.244 0.000 1.393 60 G CA 0.239 45.437 45.100 0.163 0.000 1.080 60 G HN 0.382 8.672 8.290 -0.000 0.000 0.566 61 W N -2.047 119.272 121.300 0.032 0.000 1.916 61 W HA -0.381 4.279 4.660 -0.000 0.000 0.301 61 W C 2.662 179.190 176.519 0.015 0.000 1.861 61 W CA 2.975 60.334 57.345 0.025 0.000 2.149 61 W CB -1.413 28.063 29.460 0.026 0.000 0.943 61 W HN 0.752 8.932 8.180 -0.000 0.000 0.450 62 A N -1.241 121.799 122.820 0.366 0.000 1.917 62 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 62 A C 1.532 179.191 177.584 0.125 0.000 1.182 62 A CA 2.667 54.818 52.037 0.189 0.000 0.633 62 A CB -1.022 18.046 19.000 0.114 0.000 0.819 62 A HN 0.582 8.732 8.150 -0.000 0.000 0.448 63 Q N -0.594 119.274 119.800 0.114 0.000 2.234 63 Q HA -0.043 4.297 4.340 -0.000 0.000 0.206 63 Q C 1.923 177.949 176.000 0.043 0.000 0.980 63 Q CA 1.822 57.664 55.803 0.065 0.000 0.869 63 Q CB -0.482 28.293 28.738 0.062 0.000 0.912 63 Q HN 0.642 8.912 8.270 -0.000 0.000 0.436 64 A N -1.266 121.591 122.820 0.061 0.000 1.984 64 A HA 0.206 4.526 4.320 -0.000 0.000 0.214 64 A C 2.152 179.758 177.584 0.037 0.000 1.173 64 A CA 0.890 52.959 52.037 0.054 0.000 0.673 64 A CB -0.758 18.252 19.000 0.017 0.000 0.830 64 A HN 0.467 8.617 8.150 -0.000 0.000 0.453 65 G N -0.786 108.062 108.800 0.080 0.000 2.421 65 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 65 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 65 G C 1.693 176.553 174.900 -0.068 0.000 1.171 65 G CA 1.813 46.935 45.100 0.037 0.000 0.775 65 G HN 0.456 8.746 8.290 -0.000 0.000 0.543 66 T N 0.958 115.491 114.554 -0.036 0.000 2.759 66 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 66 T C 2.593 177.223 174.700 -0.117 0.000 1.042 66 T CA 2.209 64.273 62.100 -0.060 0.000 1.140 66 T CB -0.423 68.431 68.868 -0.023 0.000 0.864 66 T HN 0.320 8.560 8.240 -0.000 0.000 0.455 67 A N 1.664 124.406 122.820 -0.129 0.000 1.968 67 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 67 A C 2.419 179.678 177.584 -0.541 0.000 1.169 67 A CA 1.160 53.095 52.037 -0.170 0.000 0.638 67 A CB -0.620 18.376 19.000 -0.008 0.000 0.812 67 A HN 0.365 8.515 8.150 -0.000 0.000 0.446 68 R N 0.277 120.287 120.500 -0.817 0.000 2.103 68 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 68 R C 2.333 178.201 176.300 -0.720 0.000 1.132 68 R CA 2.107 57.369 56.100 -1.398 0.000 0.925 68 R CB -1.144 28.750 30.300 -0.678 0.000 0.842 68 R HN 0.441 8.711 8.270 -0.000 0.000 0.430 69 A N 1.560 124.166 122.820 -0.356 0.000 1.933 69 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 69 A C 2.287 179.786 177.584 -0.141 0.000 1.175 69 A CA 1.024 52.950 52.037 -0.184 0.000 0.628 69 A CB -0.617 18.317 19.000 -0.110 0.000 0.814 69 A HN 0.340 8.490 8.150 -0.000 0.000 0.444 70 L N -0.290 120.839 121.223 -0.156 0.000 2.013 70 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 70 L C 2.343 179.184 176.870 -0.048 0.000 1.073 70 L CA 1.886 56.674 54.840 -0.086 0.000 0.753 70 L CB -0.872 41.142 42.059 -0.075 0.000 0.890 70 L HN 0.297 8.527 8.230 -0.000 0.000 0.432 71 L N -0.092 121.087 121.223 -0.073 0.000 2.093 71 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 71 L C 2.402 179.298 176.870 0.043 0.000 1.085 71 L CA 1.564 56.429 54.840 0.042 0.000 0.755 71 L CB -1.633 40.559 42.059 0.223 0.000 0.904 71 L HN 0.469 8.699 8.230 -0.000 0.000 0.435 72 N N 0.232 118.926 118.700 -0.009 0.000 2.205 72 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 72 N C 1.700 177.253 175.510 0.072 0.000 1.015 72 N CA 1.533 54.597 53.050 0.023 0.000 0.862 72 N CB 0.217 38.697 38.487 -0.012 0.000 0.986 72 N HN 0.225 8.605 8.380 -0.000 0.000 0.429 73 S N 0.615 116.362 115.700 0.078 0.000 2.400 73 S HA -0.134 4.336 4.470 -0.000 0.000 0.232 73 S C 1.992 176.744 174.600 0.253 0.000 1.025 73 S CA 1.417 59.720 58.200 0.172 0.000 0.993 73 S CB -0.154 63.079 63.200 0.055 0.000 0.808 73 S HN 0.406 8.716 8.310 -0.000 0.000 0.478 74 M N 0.616 120.301 119.600 0.141 0.000 2.287 74 M HA 0.035 4.515 4.480 -0.000 0.000 0.266 74 M C 2.078 178.430 176.300 0.087 0.000 1.079 74 M CA 0.703 56.079 55.300 0.128 0.000 1.146 74 M CB -0.591 32.059 32.600 0.082 0.000 1.374 74 M HN 0.068 8.358 8.290 -0.000 0.000 0.435 75 V N 0.863 120.815 119.914 0.063 0.000 2.392 75 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 75 V C 2.331 178.410 176.094 -0.025 0.000 1.059 75 V CA 1.355 63.670 62.300 0.025 0.000 1.051 75 V CB -0.869 30.972 31.823 0.030 0.000 0.658 75 V HN 0.397 8.587 8.190 -0.000 0.000 0.455 76 I N 1.160 121.703 120.570 -0.045 0.000 2.233 76 I HA -0.055 4.115 4.170 -0.000 0.000 0.243 76 I C 2.739 178.618 176.117 -0.397 0.000 1.093 76 I CA 1.852 63.013 61.300 -0.232 0.000 1.380 76 I CB -2.109 35.708 38.000 -0.305 0.000 1.067 76 I HN 0.362 8.572 8.210 -0.000 0.000 0.413 77 G N 1.757 110.390 108.800 -0.279 0.000 2.440 77 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 77 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 77 G C 1.384 176.234 174.900 -0.084 0.000 1.154 77 G CA 1.151 46.161 45.100 -0.150 0.000 0.767 77 G HN 0.403 8.693 8.290 -0.000 0.000 0.552 78 V N -1.085 118.804 119.914 -0.041 0.000 3.413 78 V HA 0.430 4.550 4.120 -0.000 0.000 0.344 78 V C 0.792 176.855 176.094 -0.052 0.000 1.225 78 V CA 0.924 63.208 62.300 -0.026 0.000 1.324 78 V CB -0.959 30.864 31.823 0.000 0.000 1.161 78 V HN 0.207 8.397 8.190 -0.000 0.000 0.432 79 T N -0.922 113.573 114.554 -0.098 0.000 3.368 79 T HA 0.184 4.534 4.350 -0.000 0.000 0.118 79 T C 0.787 175.415 174.700 -0.119 0.000 0.788 79 T CA 0.001 62.044 62.100 -0.096 0.000 0.733 79 T CB 0.223 69.031 68.868 -0.100 0.000 1.236 79 T HN 0.316 8.556 8.240 -0.000 0.000 0.259 80 E N 1.744 121.841 120.200 -0.171 0.000 2.476 80 E HA 0.358 4.708 4.350 -0.000 0.000 0.191 80 E C 1.250 177.721 176.600 -0.215 0.000 1.064 80 E CA 0.647 56.948 56.400 -0.166 0.000 0.866 80 E CB -0.140 29.464 29.700 -0.160 0.000 0.952 80 E HN 0.739 9.099 8.360 -0.000 0.000 0.492 81 G N 1.187 109.824 108.800 -0.272 0.000 2.547 81 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.271 81 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.271 81 G C -0.312 174.283 174.900 -0.508 0.000 1.209 81 G CA 0.031 44.981 45.100 -0.249 0.000 0.959 81 G HN 0.217 8.507 8.290 -0.000 0.000 0.563 82 F N 0.029 119.969 119.950 -0.018 0.000 2.645 82 F HA 0.619 5.146 4.527 -0.000 0.000 0.310 82 F C 1.170 176.955 175.800 -0.025 0.000 1.102 82 F CA 0.163 58.149 58.000 -0.023 0.000 0.952 82 F CB 1.574 40.558 39.000 -0.026 0.000 1.326 82 F HN 0.974 9.274 8.300 -0.000 0.000 0.456 83 T N -0.897 113.795 114.554 0.229 0.000 3.092 83 T HA 0.424 4.774 4.350 -0.000 0.000 0.374 83 T C 0.331 175.070 174.700 0.064 0.000 1.190 83 T CA 0.709 62.869 62.100 0.100 0.000 1.021 83 T CB 0.813 69.720 68.868 0.065 0.000 1.556 83 T HN 0.800 9.040 8.240 -0.000 0.000 0.540 84 K N -1.471 118.942 120.400 0.023 0.000 3.080 84 K HA -0.000 4.320 4.320 -0.000 0.000 0.258 84 K C -0.848 175.761 176.600 0.014 0.000 2.628 84 K CA 0.036 56.328 56.287 0.009 0.000 1.553 84 K CB -0.869 31.647 32.500 0.026 0.000 2.878 84 K HN 0.818 9.068 8.250 -0.000 0.000 0.454 85 K N 3.272 123.690 120.400 0.031 0.000 5.307 85 K HA -0.191 4.129 4.320 -0.000 0.000 0.461 85 K C -0.873 175.787 176.600 0.100 0.000 1.070 85 K CA 0.894 57.211 56.287 0.049 0.000 1.173 85 K CB -1.526 30.994 32.500 0.035 0.000 1.918 85 K HN 0.485 8.735 8.250 -0.000 0.000 0.321 86 L N 3.192 124.474 121.223 0.097 0.000 2.518 86 L HA 0.170 4.510 4.340 -0.000 0.000 0.262 86 L C 0.055 176.969 176.870 0.073 0.000 0.982 86 L CA -0.520 54.395 54.840 0.125 0.000 0.873 86 L CB 1.498 43.636 42.059 0.132 0.000 1.198 86 L HN 0.762 8.992 8.230 -0.000 0.000 0.427 87 Q N 3.670 123.510 119.800 0.067 0.000 2.235 87 Q HA 0.747 5.087 4.340 -0.000 0.000 0.256 87 Q C -1.169 174.856 176.000 0.042 0.000 0.951 87 Q CA -1.022 54.809 55.803 0.046 0.000 0.890 87 Q CB 2.579 31.340 28.738 0.037 0.000 1.279 87 Q HN 0.462 8.732 8.270 -0.000 0.000 0.444 88 L N -0.252 120.998 121.223 0.045 0.000 2.365 88 L HA 0.702 5.042 4.340 -0.000 0.000 0.273 88 L C -0.420 176.464 176.870 0.023 0.000 1.000 88 L CA -0.830 54.051 54.840 0.068 0.000 0.819 88 L CB 1.365 43.502 42.059 0.129 0.000 1.284 88 L HN 0.560 8.790 8.230 -0.000 0.000 0.418 89 V N 1.163 121.060 119.914 -0.028 0.000 5.806 89 V HA 0.855 4.975 4.120 -0.000 0.000 0.274 89 V C 1.129 176.928 176.094 -0.490 0.000 1.486 89 V CA 0.066 62.272 62.300 -0.157 0.000 0.635 89 V CB -0.294 31.455 31.823 -0.123 0.000 1.369 89 V HN 1.382 9.572 8.190 -0.000 0.000 0.377 90 G N -0.731 107.673 108.800 -0.660 0.000 2.870 90 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.685 90 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.685 90 G C 0.033 174.380 174.900 -0.922 0.000 1.556 90 G CA 0.056 44.362 45.100 -1.324 0.000 1.042 90 G HN 1.501 9.791 8.290 -0.000 0.000 0.592 91 V N 0.908 120.526 119.914 -0.493 0.000 2.233 91 V HA 0.457 4.576 4.120 -0.000 0.000 0.174 91 V C 2.457 178.589 176.094 0.064 0.000 0.888 91 V CA 1.665 63.891 62.300 -0.123 0.000 1.161 91 V CB -1.161 30.661 31.823 -0.002 0.000 0.717 91 V HN 2.405 10.595 8.190 -0.000 0.000 0.460 92 G N -0.787 108.136 108.800 0.206 0.000 2.764 92 G HA2 0.174 4.134 3.960 -0.000 0.000 0.278 92 G HA3 0.174 4.134 3.960 -0.000 0.000 0.278 92 G C 0.060 175.211 174.900 0.418 0.000 0.686 92 G CA 0.229 45.472 45.100 0.239 0.000 2.105 92 G HN 0.716 9.006 8.290 -0.000 0.000 0.562 93 Y N 1.027 121.344 120.300 0.028 0.000 2.837 93 Y HA 0.221 4.771 4.550 -0.000 0.000 0.212 93 Y C 1.514 177.425 175.900 0.018 0.000 0.997 93 Y CA -0.275 57.844 58.100 0.031 0.000 1.530 93 Y CB 0.170 38.649 38.460 0.032 0.000 1.272 93 Y HN 0.547 8.827 8.280 -0.000 0.000 0.480 94 R N 0.844 121.473 120.500 0.215 0.000 3.433 94 R HA -0.178 4.162 4.340 -0.000 0.000 0.630 94 R C -0.965 175.375 176.300 0.066 0.000 0.241 94 R CA 0.320 56.483 56.100 0.105 0.000 1.937 94 R CB -1.591 28.753 30.300 0.073 0.000 0.874 94 R HN 0.418 8.688 8.270 -0.000 0.000 0.620 95 A N -0.000 122.841 122.820 0.036 0.000 3.184 95 A HA 0.951 5.271 4.320 -0.000 0.000 0.206 95 A C 0.464 178.051 177.584 0.005 0.000 1.262 95 A CA 0.157 52.200 52.037 0.010 0.000 0.891 95 A CB 0.894 19.895 19.000 0.002 0.000 1.526 95 A HN 1.706 9.856 8.150 -0.000 0.000 0.508 96 A N -3.149 119.668 122.820 -0.006 0.000 1.766 96 A HA 0.526 4.846 4.320 -0.000 0.000 0.172 96 A C -0.044 177.534 177.584 -0.010 0.000 1.489 96 A CA 0.874 52.908 52.037 -0.005 0.000 1.662 96 A CB -0.508 18.489 19.000 -0.005 0.000 1.591 96 A HN 2.045 10.195 8.150 -0.000 0.000 0.804 97 V N 1.029 120.931 119.914 -0.019 0.000 3.411 97 V HA -0.119 4.001 4.120 -0.000 0.000 0.484 97 V C -0.777 175.307 176.094 -0.017 0.000 0.682 97 V CA 1.434 63.720 62.300 -0.024 0.000 2.023 97 V CB -1.449 30.361 31.823 -0.022 0.000 2.468 97 V HN 0.697 8.887 8.190 -0.000 0.000 0.502 98 K N 3.700 124.089 120.400 -0.019 0.000 2.827 98 K HA 0.570 4.890 4.320 -0.000 0.000 0.186 98 K C 0.927 177.519 176.600 -0.014 0.000 1.093 98 K CA -0.009 56.270 56.287 -0.013 0.000 0.993 98 K CB 1.374 33.869 32.500 -0.008 0.000 1.199 98 K HN 1.439 9.689 8.250 -0.000 0.000 0.598 99 G N 2.576 111.367 108.800 -0.015 0.000 3.757 99 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.215 99 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.215 99 G C 0.356 175.242 174.900 -0.023 0.000 1.411 99 G CA 0.554 45.645 45.100 -0.016 0.000 0.896 99 G HN 0.623 8.913 8.290 -0.000 0.000 0.581 100 N N -1.015 117.667 118.700 -0.031 0.000 2.066 100 N HA 0.169 4.909 4.740 -0.000 0.000 0.223 100 N C -0.069 175.403 175.510 -0.063 0.000 1.403 100 N CA 0.981 54.003 53.050 -0.047 0.000 0.766 100 N CB -0.274 38.190 38.487 -0.039 0.000 1.207 100 N HN 1.536 9.916 8.380 -0.000 0.000 0.545 101 V N -0.241 119.644 119.914 -0.047 0.000 2.276 101 V HA 0.558 4.678 4.120 -0.000 0.000 0.268 101 V C 0.454 176.522 176.094 -0.042 0.000 1.032 101 V CA -0.894 61.381 62.300 -0.042 0.000 0.810 101 V CB 0.373 32.188 31.823 -0.012 0.000 1.060 101 V HN 0.077 8.267 8.190 -0.000 0.000 0.446 102 I N 3.648 124.175 120.570 -0.071 0.000 2.886 102 I HA -0.026 4.144 4.170 -0.000 0.000 0.293 102 I C 1.151 177.240 176.117 -0.047 0.000 1.157 102 I CA 0.694 61.955 61.300 -0.066 0.000 1.472 102 I CB -0.465 37.475 38.000 -0.100 0.000 1.492 102 I HN 0.774 8.984 8.210 -0.000 0.000 0.652 103 N N 7.752 126.434 118.700 -0.030 0.000 2.406 103 N HA 0.164 4.904 4.740 -0.000 0.000 0.269 103 N C -0.738 174.751 175.510 -0.034 0.000 1.210 103 N CA -0.325 52.712 53.050 -0.022 0.000 0.966 103 N CB 0.470 38.952 38.487 -0.009 0.000 1.293 103 N HN 0.515 8.895 8.380 -0.000 0.000 0.491 104 L N 2.194 123.382 121.223 -0.058 0.000 2.309 104 L HA 0.326 4.666 4.340 -0.000 0.000 0.282 104 L C -0.125 176.697 176.870 -0.081 0.000 1.036 104 L CA -0.521 54.275 54.840 -0.073 0.000 0.806 104 L CB 1.824 43.808 42.059 -0.124 0.000 1.220 104 L HN 0.389 8.619 8.230 -0.000 0.000 0.429 105 S N 4.782 120.443 115.700 -0.064 0.000 2.746 105 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 105 S C -0.885 173.657 174.600 -0.097 0.000 1.172 105 S CA -0.553 57.606 58.200 -0.068 0.000 1.116 105 S CB 0.692 63.881 63.200 -0.019 0.000 1.057 105 S HN 0.445 8.755 8.310 -0.000 0.000 0.483 106 L N -0.008 121.104 121.223 -0.184 0.000 2.464 106 L HA 0.917 5.257 4.340 -0.000 0.000 0.266 106 L C 0.835 177.539 176.870 -0.277 0.000 0.965 106 L CA -0.942 53.608 54.840 -0.483 0.000 0.833 106 L CB 0.962 42.412 42.059 -1.015 0.000 1.296 106 L HN 0.653 8.883 8.230 -0.000 0.000 0.405 107 G N 1.910 110.547 108.800 -0.271 0.000 5.001 107 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.306 107 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.306 107 G C 0.206 175.068 174.900 -0.064 0.000 1.491 107 G CA 0.934 45.960 45.100 -0.124 0.000 1.324 107 G HN 0.616 8.906 8.290 -0.000 0.000 0.829 108 F N 2.573 122.421 119.950 -0.170 0.000 2.613 108 F HA 0.237 4.764 4.527 -0.000 0.000 0.373 108 F C 1.937 177.683 175.800 -0.090 0.000 1.085 108 F CA 0.768 58.673 58.000 -0.158 0.000 1.309 108 F CB 0.305 39.093 39.000 -0.353 0.000 0.986 108 F HN 0.465 8.765 8.300 -0.000 0.000 0.592 109 S N 3.262 119.118 115.700 0.259 0.000 3.120 109 S HA 0.130 4.600 4.470 -0.000 0.000 0.259 109 S C -0.353 174.515 174.600 0.446 0.000 1.191 109 S CA 0.181 58.550 58.200 0.282 0.000 1.257 109 S CB -1.416 61.912 63.200 0.213 0.000 0.964 109 S HN 0.849 9.159 8.310 -0.000 0.000 0.473 110 H N -3.818 115.308 119.070 0.093 0.000 2.915 110 H HA 0.327 4.883 4.556 -0.000 0.000 0.263 110 H C -3.658 171.695 175.328 0.040 0.000 1.373 110 H CA -1.464 54.618 56.048 0.057 0.000 1.354 110 H CB -0.589 29.202 29.762 0.048 0.000 1.866 110 H HN 0.075 8.355 8.280 -0.000 0.000 0.479 111 P HA 0.168 4.588 4.420 -0.000 0.000 0.286 111 P C 0.514 177.753 177.300 -0.101 0.000 1.278 111 P CA -0.056 63.021 63.100 -0.037 0.000 0.785 111 P CB 0.775 32.487 31.700 0.020 0.000 1.269 112 V N -2.736 117.142 119.914 -0.061 0.000 3.889 112 V HA 0.115 4.235 4.120 -0.000 0.000 0.184 112 V C -0.646 175.460 176.094 0.021 0.000 1.311 112 V CA 0.291 62.567 62.300 -0.041 0.000 1.277 112 V CB -0.621 31.170 31.823 -0.054 0.000 1.364 112 V HN 0.523 8.713 8.190 -0.000 0.000 0.567 113 D N 1.532 121.939 120.400 0.011 0.000 3.026 113 D HA -0.183 4.457 4.640 -0.000 0.000 0.248 113 D C -0.101 176.251 176.300 0.087 0.000 1.100 113 D CA 0.706 54.725 54.000 0.031 0.000 0.855 113 D CB -1.027 39.792 40.800 0.032 0.000 1.011 113 D HN 0.793 9.163 8.370 -0.000 0.000 0.423 114 H N 1.585 120.616 119.070 -0.064 0.000 2.668 114 H HA 0.171 4.727 4.556 -0.000 0.000 0.303 114 H C 0.666 175.968 175.328 -0.043 0.000 1.074 114 H CA -0.683 55.334 56.048 -0.052 0.000 1.406 114 H CB 0.845 30.506 29.762 -0.168 0.000 1.442 114 H HN 0.118 8.398 8.280 -0.000 0.000 0.482 115 Q N 5.133 124.982 119.800 0.083 0.000 2.267 115 Q HA 0.149 4.488 4.340 -0.000 0.000 0.255 115 Q C -1.033 174.836 176.000 -0.218 0.000 0.923 115 Q CA -0.861 54.904 55.803 -0.064 0.000 0.925 115 Q CB 1.636 30.384 28.738 0.017 0.000 1.195 115 Q HN 0.441 8.711 8.270 -0.000 0.000 0.417 116 L N 5.040 126.131 121.223 -0.220 0.000 2.417 116 L HA 0.272 4.612 4.340 -0.000 0.000 0.268 116 L C -1.368 175.449 176.870 -0.088 0.000 1.158 116 L CA -1.291 53.427 54.840 -0.204 0.000 0.819 116 L CB -0.317 41.650 42.059 -0.155 0.000 1.112 116 L HN 0.552 8.782 8.230 -0.000 0.000 0.458 117 P HA -0.089 4.331 4.420 -0.000 0.000 0.207 117 P C 0.093 177.385 177.300 -0.013 0.000 0.993 117 P CA 1.699 64.790 63.100 -0.015 0.000 0.885 117 P CB 0.330 32.029 31.700 -0.003 0.000 0.600 118 A N -2.246 120.569 122.820 -0.008 0.000 1.742 118 A HA 0.447 4.767 4.320 -0.000 0.000 0.167 118 A C 1.585 179.169 177.584 -0.000 0.000 1.913 118 A CA 0.499 52.534 52.037 -0.003 0.000 1.331 118 A CB -0.886 18.116 19.000 0.004 0.000 0.968 118 A HN 0.254 8.404 8.150 -0.000 0.000 0.739 119 G N 0.807 109.611 108.800 0.008 0.000 3.263 119 G HA2 0.426 4.386 3.960 -0.000 0.000 0.246 119 G HA3 0.426 4.386 3.960 -0.000 0.000 0.246 119 G C -0.151 174.761 174.900 0.019 0.000 0.982 119 G CA 0.600 45.710 45.100 0.017 0.000 1.897 119 G HN 0.657 8.947 8.290 -0.000 0.000 0.624 120 I N -0.182 120.391 120.570 0.006 0.000 2.741 120 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 120 I C -1.613 174.495 176.117 -0.016 0.000 1.482 120 I CA -0.202 61.099 61.300 0.002 0.000 1.050 120 I CB 1.868 39.864 38.000 -0.007 0.000 1.388 120 I HN -0.003 8.207 8.210 -0.000 0.000 0.428 121 T N 6.084 120.631 114.554 -0.012 0.000 2.956 121 T HA 0.828 5.178 4.350 -0.000 0.000 0.312 121 T C -0.651 174.038 174.700 -0.020 0.000 1.151 121 T CA -0.404 61.682 62.100 -0.023 0.000 1.024 121 T CB 1.868 70.727 68.868 -0.015 0.000 1.140 121 T HN 0.829 9.069 8.240 -0.000 0.000 0.473 122 A N 1.831 124.632 122.820 -0.031 0.000 2.384 122 A HA 0.921 5.241 4.320 -0.000 0.000 0.312 122 A C -0.782 176.790 177.584 -0.020 0.000 1.113 122 A CA -0.631 51.392 52.037 -0.024 0.000 0.779 122 A CB 1.589 20.569 19.000 -0.034 0.000 1.307 122 A HN 0.662 8.812 8.150 -0.000 0.000 0.436 123 E N -0.208 119.985 120.200 -0.012 0.000 2.317 123 E HA 0.386 4.736 4.350 -0.000 0.000 0.270 123 E C -1.725 174.872 176.600 -0.005 0.000 0.885 123 E CA -0.445 55.950 56.400 -0.009 0.000 0.760 123 E CB 2.059 31.756 29.700 -0.004 0.000 1.227 123 E HN 0.693 9.053 8.360 -0.000 0.000 0.434 124 C N 6.474 125.771 119.300 -0.004 0.000 2.184 124 C HA 0.465 4.925 4.460 -0.000 0.000 0.328 124 C C -1.608 173.384 174.990 0.004 0.000 1.081 124 C CA -1.995 57.023 59.018 0.001 0.000 1.533 124 C CB -0.706 27.034 27.740 -0.001 0.000 1.905 124 C HN 0.583 8.813 8.230 -0.000 0.000 0.439 125 P HA -0.011 4.409 4.420 -0.000 0.000 0.198 125 P C 0.471 177.776 177.300 0.008 0.000 1.043 125 P CA 1.308 64.412 63.100 0.007 0.000 0.892 125 P CB -0.048 31.657 31.700 0.008 0.000 0.701 126 T N 0.167 114.727 114.554 0.010 0.000 2.899 126 T HA 0.014 4.364 4.350 -0.000 0.000 0.295 126 T C 1.143 175.851 174.700 0.014 0.000 1.033 126 T CA -0.228 61.879 62.100 0.011 0.000 1.084 126 T CB 0.522 69.396 68.868 0.011 0.000 0.979 126 T HN 0.164 8.404 8.240 -0.000 0.000 0.532 127 Q N 1.219 121.029 119.800 0.015 0.000 2.268 127 Q HA -0.194 4.146 4.340 -0.000 0.000 0.213 127 Q C 1.035 177.051 176.000 0.027 0.000 0.995 127 Q CA 1.762 57.577 55.803 0.020 0.000 0.901 127 Q CB -0.174 28.578 28.738 0.022 0.000 0.921 127 Q HN 0.829 9.099 8.270 -0.000 0.000 0.421 128 T N -1.590 112.980 114.554 0.027 0.000 3.278 128 T HA 0.433 4.783 4.350 -0.000 0.000 0.246 128 T C -0.709 174.008 174.700 0.028 0.000 1.281 128 T CA -0.583 61.538 62.100 0.034 0.000 1.281 128 T CB 0.413 69.299 68.868 0.030 0.000 1.064 128 T HN 0.084 8.324 8.240 -0.000 0.000 0.628 129 E N 1.157 121.372 120.200 0.024 0.000 2.343 129 E HA 0.569 4.919 4.350 -0.000 0.000 0.278 129 E C -1.297 175.313 176.600 0.017 0.000 0.910 129 E CA -0.835 55.578 56.400 0.021 0.000 0.757 129 E CB 2.689 32.399 29.700 0.017 0.000 1.218 129 E HN 0.415 8.775 8.360 -0.000 0.000 0.435 130 I N 1.925 122.507 120.570 0.020 0.000 2.571 130 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 130 I C -1.009 175.120 176.117 0.021 0.000 1.115 130 I CA -1.076 60.231 61.300 0.013 0.000 1.045 130 I CB 2.160 40.163 38.000 0.005 0.000 1.238 130 I HN 0.248 8.458 8.210 -0.000 0.000 0.424 131 V N 5.182 125.104 119.914 0.012 0.000 2.532 131 V HA 0.567 4.687 4.120 -0.000 0.000 0.294 131 V C -0.665 175.434 176.094 0.009 0.000 1.036 131 V CA -0.766 61.545 62.300 0.017 0.000 0.876 131 V CB 1.389 33.222 31.823 0.017 0.000 1.012 131 V HN 0.599 8.789 8.190 -0.000 0.000 0.432 132 L N 1.492 122.722 121.223 0.012 0.000 2.262 132 L HA 0.716 5.056 4.340 -0.000 0.000 0.288 132 L C -0.009 176.874 176.870 0.023 0.000 1.035 132 L CA -0.638 54.205 54.840 0.005 0.000 0.820 132 L CB 0.874 42.929 42.059 -0.007 0.000 1.204 132 L HN 0.525 8.755 8.230 -0.000 0.000 0.424 133 K N 3.396 123.810 120.400 0.023 0.000 2.276 133 K HA 0.657 4.977 4.320 -0.000 0.000 0.285 133 K C 0.284 176.917 176.600 0.056 0.000 1.062 133 K CA -0.227 56.085 56.287 0.042 0.000 0.918 133 K CB 1.626 34.141 32.500 0.024 0.000 1.055 133 K HN 0.899 9.149 8.250 -0.000 0.000 0.477 134 G N 0.410 109.276 108.800 0.110 0.000 3.140 134 G HA2 0.577 4.537 3.960 -0.000 0.000 0.271 134 G HA3 0.577 4.537 3.960 -0.000 0.000 0.271 134 G C -0.659 174.378 174.900 0.230 0.000 1.370 134 G CA -0.701 44.477 45.100 0.130 0.000 1.014 134 G HN 0.512 8.802 8.290 -0.000 0.000 0.541 135 A N -0.857 122.108 122.820 0.241 0.000 2.603 135 A HA 0.573 4.893 4.320 -0.000 0.000 0.277 135 A C -0.165 177.673 177.584 0.425 0.000 1.158 135 A CA 0.331 52.549 52.037 0.301 0.000 0.962 135 A CB 0.279 19.354 19.000 0.126 0.000 1.189 135 A HN 0.502 8.652 8.150 -0.000 0.000 0.552 136 D N -0.841 119.725 120.400 0.277 0.000 2.764 136 D HA 0.249 4.889 4.640 -0.000 0.000 0.227 136 D C 0.559 176.607 176.300 -0.420 0.000 1.347 136 D CA -0.406 53.577 54.000 -0.028 0.000 0.953 136 D CB 1.240 42.040 40.800 0.000 0.000 1.476 136 D HN -0.041 8.329 8.370 -0.000 0.000 0.585 137 K N 1.815 121.647 120.400 -0.946 0.000 2.063 137 K HA -0.200 4.119 4.320 -0.000 0.000 0.208 137 K C 1.653 178.031 176.600 -0.371 0.000 1.048 137 K CA 1.221 57.003 56.287 -0.842 0.000 0.928 137 K CB 0.185 32.196 32.500 -0.815 0.000 0.713 137 K HN 0.484 8.734 8.250 -0.000 0.000 0.442 138 Q N 0.675 120.325 119.800 -0.251 0.000 1.985 138 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 138 Q C 2.040 177.981 176.000 -0.098 0.000 0.996 138 Q CA 2.235 57.958 55.803 -0.135 0.000 0.851 138 Q CB -0.473 28.213 28.738 -0.088 0.000 0.921 138 Q HN 0.187 8.457 8.270 -0.000 0.000 0.418 139 V N 1.790 121.654 119.914 -0.082 0.000 2.215 139 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 139 V C 2.593 178.663 176.094 -0.040 0.000 1.054 139 V CA 2.543 64.817 62.300 -0.043 0.000 1.012 139 V CB -1.182 30.624 31.823 -0.028 0.000 0.639 139 V HN 0.597 8.787 8.190 -0.000 0.000 0.448 140 I N 0.679 121.209 120.570 -0.067 0.000 2.113 140 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 140 I C 2.480 178.573 176.117 -0.041 0.000 1.064 140 I CA 2.381 63.651 61.300 -0.050 0.000 1.320 140 I CB -1.784 36.173 38.000 -0.072 0.000 1.028 140 I HN 0.239 8.449 8.210 -0.000 0.000 0.406 141 G N -0.514 108.229 108.800 -0.096 0.000 2.517 141 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.222 141 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.222 141 G C 1.584 176.498 174.900 0.022 0.000 1.109 141 G CA 1.454 46.509 45.100 -0.076 0.000 0.746 141 G HN 0.557 8.847 8.290 -0.000 0.000 0.576 142 Q N 0.235 120.048 119.800 0.021 0.000 2.042 142 Q HA 0.003 4.343 4.340 -0.000 0.000 0.194 142 Q C 2.803 178.864 176.000 0.101 0.000 0.978 142 Q CA 1.958 57.796 55.803 0.058 0.000 0.828 142 Q CB -0.719 28.040 28.738 0.036 0.000 0.901 142 Q HN 0.433 8.703 8.270 -0.000 0.000 0.461 143 V N -0.284 119.685 119.914 0.091 0.000 2.453 143 V HA -0.203 3.917 4.120 -0.000 0.000 0.252 143 V C 2.085 178.270 176.094 0.151 0.000 1.068 143 V CA 2.199 64.581 62.300 0.137 0.000 1.070 143 V CB -1.710 30.144 31.823 0.052 0.000 0.664 143 V HN 0.391 8.581 8.190 -0.000 0.000 0.461 144 A N 0.538 123.437 122.820 0.131 0.000 1.897 144 A HA 0.243 4.563 4.320 -0.000 0.000 0.215 144 A C 2.522 180.263 177.584 0.262 0.000 1.181 144 A CA 1.973 54.126 52.037 0.194 0.000 0.620 144 A CB -1.009 18.116 19.000 0.209 0.000 0.821 144 A HN 0.954 9.104 8.150 -0.000 0.000 0.443 145 A N 0.399 123.381 122.820 0.270 0.000 1.883 145 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 145 A C 1.815 179.472 177.584 0.121 0.000 1.186 145 A CA 1.815 53.980 52.037 0.213 0.000 0.624 145 A CB -0.715 18.401 19.000 0.193 0.000 0.822 145 A HN 0.554 8.704 8.150 -0.000 0.000 0.444 146 D N 0.009 120.503 120.400 0.156 0.000 2.108 146 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 146 D C 2.009 178.470 176.300 0.268 0.000 0.995 146 D CA 1.704 55.828 54.000 0.208 0.000 0.834 146 D CB -0.472 40.458 40.800 0.215 0.000 0.967 146 D HN 0.409 8.779 8.370 -0.000 0.000 0.446 147 L N 0.690 121.965 121.223 0.086 0.000 2.030 147 L HA -0.288 4.052 4.340 -0.000 0.000 0.222 147 L C 2.608 179.450 176.870 -0.046 0.000 1.082 147 L CA 2.042 56.784 54.840 -0.164 0.000 0.785 147 L CB -0.452 41.568 42.059 -0.064 0.000 0.895 147 L HN 0.105 8.335 8.230 -0.000 0.000 0.439 148 R N 0.170 120.663 120.500 -0.011 0.000 2.148 148 R HA 0.028 4.368 4.340 -0.000 0.000 0.223 148 R C 1.968 178.272 176.300 0.006 0.000 1.088 148 R CA 1.148 57.208 56.100 -0.067 0.000 0.985 148 R CB -1.060 29.051 30.300 -0.315 0.000 0.880 148 R HN 0.222 8.492 8.270 -0.000 0.000 0.451 149 A N 0.220 123.086 122.820 0.076 0.000 2.121 149 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 149 A C 1.015 178.669 177.584 0.116 0.000 1.154 149 A CA 0.559 52.639 52.037 0.072 0.000 0.679 149 A CB -0.720 18.314 19.000 0.057 0.000 0.795 149 A HN 0.388 8.538 8.150 -0.000 0.000 0.458 150 Y N -1.280 118.984 120.300 -0.060 0.000 2.716 150 Y HA 0.007 4.557 4.550 -0.000 0.000 0.302 150 Y C 2.260 178.178 175.900 0.030 0.000 1.160 150 Y CA 1.356 59.409 58.100 -0.078 0.000 1.362 150 Y CB -0.099 38.268 38.460 -0.155 0.000 0.988 150 Y HN 0.350 8.630 8.280 -0.000 0.000 0.546 151 R N -1.588 119.019 120.500 0.179 0.000 3.643 151 R HA 0.189 4.529 4.340 -0.000 0.000 0.069 151 R C -0.520 175.841 176.300 0.101 0.000 0.766 151 R CA 0.229 56.433 56.100 0.174 0.000 2.179 151 R CB 0.288 30.714 30.300 0.209 0.000 1.514 151 R HN 0.002 8.272 8.270 -0.000 0.000 0.455 152 R N -0.052 120.484 120.500 0.061 0.000 1.052 152 R HA -0.111 4.229 4.340 -0.000 0.000 0.427 152 R C -2.757 173.555 176.300 0.019 0.000 1.365 152 R CA 0.609 56.713 56.100 0.006 0.000 1.346 152 R CB -0.750 29.546 30.300 -0.006 0.000 3.713 152 R HN 0.163 8.433 8.270 -0.000 0.000 0.503 153 P HA 0.009 4.429 4.420 -0.000 0.000 0.270 153 P C -1.028 176.266 177.300 -0.011 0.000 1.221 153 P CA 0.189 63.285 63.100 -0.006 0.000 0.788 153 P CB 0.434 32.119 31.700 -0.024 0.000 0.904 154 E N 2.050 122.242 120.200 -0.013 0.000 2.218 154 E HA 0.242 4.592 4.350 -0.000 0.000 0.263 154 E C -2.256 174.285 176.600 -0.098 0.000 0.879 154 E CA -2.428 53.950 56.400 -0.036 0.000 0.762 154 E CB 1.290 31.013 29.700 0.039 0.000 1.166 154 E HN 0.187 8.547 8.360 -0.000 0.000 0.415 155 P HA -0.007 4.412 4.420 -0.000 0.000 0.274 155 P C -0.653 176.411 177.300 -0.394 0.000 1.370 155 P CA 0.937 63.839 63.100 -0.330 0.000 0.760 155 P CB -0.362 31.078 31.700 -0.432 0.000 1.308 156 Y N -2.889 117.411 120.300 -0.001 0.000 2.540 156 Y HA 0.275 4.825 4.550 -0.000 0.000 0.257 156 Y C 1.790 177.686 175.900 -0.006 0.000 1.090 156 Y CA -0.274 57.824 58.100 -0.003 0.000 1.242 156 Y CB 0.793 39.252 38.460 -0.003 0.000 1.325 156 Y HN -0.215 8.065 8.280 -0.000 0.000 0.544 157 K N -1.269 119.200 120.400 0.114 0.000 3.130 157 K HA 0.337 4.657 4.320 -0.000 0.000 0.201 157 K C 0.894 177.506 176.600 0.020 0.000 1.981 157 K CA 1.116 57.438 56.287 0.058 0.000 1.473 157 K CB 0.639 33.170 32.500 0.051 0.000 2.283 157 K HN 0.024 8.274 8.250 -0.000 0.000 0.609 158 G N 1.383 110.191 108.800 0.014 0.000 2.229 158 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.189 158 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.189 158 G C -0.614 174.284 174.900 -0.004 0.000 1.000 158 G CA 0.105 45.204 45.100 -0.003 0.000 0.663 158 G HN 0.121 8.411 8.290 -0.000 0.000 0.493 159 K N 0.565 120.960 120.400 -0.007 0.000 2.457 159 K HA 0.389 4.709 4.320 -0.000 0.000 0.269 159 K C 1.027 177.669 176.600 0.071 0.000 0.969 159 K CA 0.901 57.168 56.287 -0.033 0.000 0.921 159 K CB 0.069 32.550 32.500 -0.031 0.000 0.940 159 K HN 1.712 9.962 8.250 -0.000 0.000 0.517 160 G N -0.941 107.963 108.800 0.173 0.000 2.663 160 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 160 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 160 G C -0.748 174.254 174.900 0.171 0.000 1.288 160 G CA -0.763 44.521 45.100 0.307 0.000 0.836 160 G HN 0.413 8.703 8.290 -0.000 0.000 0.584 161 V N 2.462 122.465 119.914 0.148 0.000 2.508 161 V HA 0.642 4.762 4.120 -0.000 0.000 0.281 161 V C 0.802 176.881 176.094 -0.026 0.000 1.041 161 V CA 0.641 62.977 62.300 0.061 0.000 1.016 161 V CB 0.923 32.768 31.823 0.036 0.000 0.984 161 V HN 1.176 9.366 8.190 -0.000 0.000 0.478 162 R N 4.111 124.585 120.500 -0.045 0.000 2.707 162 R HA 0.335 4.675 4.340 -0.000 0.000 0.272 162 R C -1.575 174.700 176.300 -0.043 0.000 1.011 162 R CA -0.885 55.145 56.100 -0.117 0.000 0.893 162 R CB 0.815 31.084 30.300 -0.051 0.000 1.233 162 R HN 0.406 8.676 8.270 -0.000 0.000 0.464 163 Y N 1.460 121.773 120.300 0.023 0.000 2.712 163 Y HA 0.056 4.606 4.550 -0.000 0.000 0.333 163 Y C 1.924 177.833 175.900 0.014 0.000 1.225 163 Y CA 1.007 59.117 58.100 0.016 0.000 1.499 163 Y CB 0.241 38.708 38.460 0.013 0.000 1.288 163 Y HN 0.857 9.137 8.280 -0.000 0.000 0.575 164 A N 1.955 124.886 122.820 0.186 0.000 1.997 164 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 164 A C 0.862 178.496 177.584 0.083 0.000 1.172 164 A CA 2.076 54.172 52.037 0.100 0.000 0.645 164 A CB -0.444 18.599 19.000 0.072 0.000 0.813 164 A HN 0.717 8.867 8.150 -0.000 0.000 0.454 165 D N -0.596 119.863 120.400 0.099 0.000 2.434 165 D HA 0.341 4.981 4.640 -0.000 0.000 0.275 165 D C 0.021 176.376 176.300 0.092 0.000 1.172 165 D CA -0.399 53.643 54.000 0.069 0.000 0.916 165 D CB 0.413 41.236 40.800 0.038 0.000 1.041 165 D HN 0.455 8.825 8.370 -0.000 0.000 0.501 166 E N 1.283 121.536 120.200 0.087 0.000 2.476 166 E HA 0.328 4.678 4.350 -0.000 0.000 0.246 166 E C 0.368 176.997 176.600 0.048 0.000 0.872 166 E CA -0.572 55.880 56.400 0.086 0.000 0.867 166 E CB 0.201 29.956 29.700 0.092 0.000 1.533 166 E HN 0.034 8.394 8.360 -0.000 0.000 0.399 167 V N -1.810 118.126 119.914 0.037 0.000 2.543 167 V HA 0.249 4.369 4.120 -0.000 0.000 0.232 167 V C 0.917 177.017 176.094 0.010 0.000 1.087 167 V CA 0.422 62.734 62.300 0.020 0.000 1.113 167 V CB -0.994 30.838 31.823 0.015 0.000 0.779 167 V HN 0.493 8.683 8.190 -0.000 0.000 0.495 168 V N 1.629 121.544 119.914 0.001 0.000 4.438 168 V HA -0.221 3.899 4.120 -0.000 0.000 0.425 168 V C 1.404 177.492 176.094 -0.010 0.000 0.682 168 V CA 1.272 63.567 62.300 -0.009 0.000 1.725 168 V CB -1.667 30.153 31.823 -0.004 0.000 2.088 168 V HN 0.721 8.911 8.190 -0.000 0.000 0.484 169 R N 1.985 122.473 120.500 -0.019 0.000 2.087 169 R HA 0.223 4.563 4.340 -0.000 0.000 0.216 169 R C 1.039 177.328 176.300 -0.018 0.000 1.114 169 R CA 0.986 57.077 56.100 -0.016 0.000 1.002 169 R CB 0.228 30.517 30.300 -0.019 0.000 0.903 169 R HN 1.309 9.579 8.270 -0.000 0.000 0.445 170 T N 0.035 114.566 114.554 -0.039 0.000 0.541 170 T HA -0.149 4.201 4.350 -0.000 0.000 0.774 170 T C -0.736 173.956 174.700 -0.014 0.000 0.992 170 T CA 0.203 62.278 62.100 -0.042 0.000 4.077 170 T CB -0.138 68.729 68.868 -0.002 0.000 2.303 170 T HN 0.057 8.297 8.240 -0.000 0.000 0.398 171 K N 2.026 122.427 120.400 0.002 0.000 2.378 171 K HA 0.610 4.930 4.320 -0.000 0.000 0.244 171 K C 0.246 176.946 176.600 0.167 0.000 1.039 171 K CA -0.826 55.498 56.287 0.063 0.000 0.863 171 K CB 1.260 33.785 32.500 0.042 0.000 1.326 171 K HN 1.007 9.257 8.250 -0.000 0.000 0.460 172 E N 0.014 120.293 120.200 0.131 0.000 2.277 172 E HA 0.560 4.910 4.350 -0.000 0.000 0.274 172 E C -0.581 176.092 176.600 0.121 0.000 1.022 172 E CA -1.015 55.452 56.400 0.111 0.000 0.853 172 E CB 1.139 30.873 29.700 0.056 0.000 1.086 172 E HN 0.508 8.868 8.360 -0.000 0.000 0.397 173 A N 3.177 126.016 122.820 0.031 0.000 2.488 173 A HA 0.041 4.361 4.320 -0.000 0.000 0.249 173 A C 0.334 177.904 177.584 -0.023 0.000 1.083 173 A CA -0.330 51.666 52.037 -0.069 0.000 0.768 173 A CB 0.190 19.077 19.000 -0.187 0.000 1.017 173 A HN 0.697 8.847 8.150 -0.000 0.000 0.496 174 K N 2.625 123.020 120.400 -0.009 0.000 2.430 174 K HA 0.002 4.322 4.320 -0.000 0.000 0.280 174 K C -0.461 176.129 176.600 -0.017 0.000 1.063 174 K CA 0.310 56.598 56.287 0.001 0.000 1.071 174 K CB 0.246 32.752 32.500 0.010 0.000 0.899 174 K HN 0.477 8.727 8.250 -0.000 0.000 0.473 175 K N 4.117 124.511 120.400 -0.010 0.000 2.138 175 K HA 0.308 4.628 4.320 -0.000 0.000 0.263 175 K C -0.427 176.167 176.600 -0.010 0.000 0.965 175 K CA -0.464 55.815 56.287 -0.014 0.000 0.868 175 K CB 1.688 34.181 32.500 -0.012 0.000 1.083 175 K HN 0.581 8.831 8.250 -0.000 0.000 0.443 176 K N 0.000 120.393 120.400 -0.012 0.000 2.780 176 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 176 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 176 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 176 K HN 0.000 8.250 8.250 -0.000 0.000 0.543