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 1enx_1_A DATA FIRST_RESID 2 DATA SEQUENCE TIQPGTGYNN GYFYSYWNDG HGGVTYTNGP GGQFSVNWSN SGNFVGGKGW DATA SEQUENCE QPGTKNKVIN FSGSYNPNGN SYLSVYGWSR NPLIEYYIVE NFGTYNPSTG DATA SEQUENCE ATKLGEVTSD GSVYDIYRTQ RVNQPSIIGT ATFYQYWSVR RNHRSSGSVN DATA SEQUENCE TANHFNAWAQ QGLTLGTMDY QIVAVEGYFS SGSASITVS 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 2 T HA 0.000 4.350 4.350 0.000 0.000 0.228 2 T C 0.000 174.688 174.700 -0.019 0.000 1.109 2 T CA 0.000 62.056 62.100 -0.073 0.000 1.349 2 T CB 0.000 68.831 68.868 -0.061 0.000 0.612 3 I N -0.363 120.224 120.570 0.029 0.000 3.042 3 I HA 0.711 4.881 4.170 0.001 0.000 0.310 3 I C -0.395 175.832 176.117 0.183 0.000 1.117 3 I CA -1.318 60.032 61.300 0.084 0.000 1.003 3 I CB 1.912 39.958 38.000 0.077 0.000 1.228 3 I HN 0.434 8.644 8.210 0.000 0.000 0.443 4 Q N 1.532 121.427 119.800 0.159 0.000 2.249 4 Q HA 0.432 4.772 4.340 0.001 0.000 0.226 4 Q C -2.372 173.728 176.000 0.166 0.000 0.983 4 Q CA -1.586 54.313 55.803 0.160 0.000 0.930 4 Q CB 0.368 29.137 28.738 0.052 0.000 1.193 4 Q HN 0.434 8.704 8.270 0.000 0.000 0.508 5 P HA 0.015 4.435 4.420 0.000 0.000 0.263 5 P C -0.599 176.658 177.300 -0.072 0.000 1.175 5 P CA 0.617 63.537 63.100 -0.300 0.000 0.761 5 P CB 0.383 31.801 31.700 -0.470 0.000 0.794 6 G N 0.768 109.549 108.800 -0.033 0.000 2.315 6 G HA2 0.533 4.493 3.960 0.001 0.000 0.294 6 G HA3 0.533 4.493 3.960 0.001 0.000 0.294 6 G C -1.352 173.496 174.900 -0.086 0.000 1.300 6 G CA -0.241 44.854 45.100 -0.009 0.000 0.843 6 G HN 0.622 8.912 8.290 0.000 0.000 0.527 7 T N -2.979 111.423 114.554 -0.254 0.000 2.883 7 T HA 1.015 5.366 4.350 0.001 0.000 0.296 7 T C 0.279 174.419 174.700 -0.933 0.000 1.117 7 T CA 0.338 61.990 62.100 -0.747 0.000 1.006 7 T CB 1.923 70.489 68.868 -0.505 0.000 1.191 7 T HN 2.599 10.839 8.240 0.000 0.000 0.508 8 G N -0.172 107.675 108.800 -1.589 0.000 2.333 8 G HA2 0.429 4.389 3.960 0.001 0.000 0.288 8 G HA3 0.429 4.389 3.960 0.001 0.000 0.288 8 G C -2.449 171.802 174.900 -1.082 0.000 1.286 8 G CA -0.968 43.535 45.100 -0.994 0.000 0.865 8 G HN 0.765 9.055 8.290 0.000 0.000 0.506 9 Y N 0.806 121.064 120.300 -0.071 0.000 2.393 9 Y HA 0.710 5.260 4.550 0.000 0.000 0.341 9 Y C 0.362 176.425 175.900 0.271 0.000 0.988 9 Y CA -0.867 57.303 58.100 0.116 0.000 1.078 9 Y CB 2.365 40.889 38.460 0.106 0.000 1.203 9 Y HN 0.550 8.830 8.280 0.000 0.000 0.453 10 N N 2.866 121.832 118.700 0.442 0.000 2.500 10 N HA 0.142 4.882 4.740 0.001 0.000 0.291 10 N C -1.062 174.605 175.510 0.261 0.000 1.092 10 N CA -0.245 52.988 53.050 0.304 0.000 0.890 10 N CB 0.777 39.384 38.487 0.200 0.000 1.466 10 N HN 0.830 9.210 8.380 0.000 0.000 0.507 11 N N 2.532 121.347 118.700 0.191 0.000 2.693 11 N HA -0.206 4.534 4.740 0.001 0.000 0.249 11 N C 0.817 176.447 175.510 0.201 0.000 1.119 11 N CA 1.769 54.926 53.050 0.179 0.000 0.717 11 N CB -1.327 37.263 38.487 0.172 0.000 1.071 11 N HN 1.026 9.406 8.380 0.000 0.000 0.555 12 G N -2.683 106.186 108.800 0.116 0.000 2.211 12 G HA2 -0.268 3.693 3.960 0.001 0.000 0.201 12 G HA3 -0.268 3.693 3.960 0.001 0.000 0.201 12 G C -0.382 174.283 174.900 -0.390 0.000 0.997 12 G CA 0.111 45.132 45.100 -0.132 0.000 0.652 12 G HN 0.371 8.661 8.290 0.000 0.000 0.500 13 Y N -0.418 119.957 120.300 0.125 0.000 2.485 13 Y HA 0.685 5.235 4.550 0.000 0.000 0.345 13 Y C 0.164 176.195 175.900 0.219 0.000 0.998 13 Y CA -1.509 56.630 58.100 0.064 0.000 1.059 13 Y CB 1.303 39.709 38.460 -0.091 0.000 1.234 13 Y HN 0.156 8.436 8.280 0.000 0.000 0.461 14 F N 4.308 124.345 119.950 0.144 0.000 2.459 14 F HA 0.383 4.910 4.527 0.000 0.000 0.346 14 F C -0.731 175.020 175.800 -0.082 0.000 1.128 14 F CA -0.696 57.198 58.000 -0.176 0.000 1.268 14 F CB 0.219 39.095 39.000 -0.206 0.000 1.161 14 F HN 0.406 8.706 8.300 0.000 0.000 0.583 15 Y N 1.684 121.328 120.300 -1.092 0.000 2.553 15 Y HA 0.658 5.209 4.550 0.000 0.000 0.347 15 Y C -1.295 173.907 175.900 -1.164 0.000 1.019 15 Y CA -1.503 56.125 58.100 -0.786 0.000 1.032 15 Y CB 1.304 39.560 38.460 -0.340 0.000 1.284 15 Y HN 0.584 8.864 8.280 0.000 0.000 0.466 16 S N 2.552 117.901 115.700 -0.586 0.000 2.575 16 S HA 0.575 5.045 4.470 0.001 0.000 0.278 16 S C -2.514 171.937 174.600 -0.249 0.000 1.139 16 S CA -0.444 57.451 58.200 -0.507 0.000 0.954 16 S CB 0.889 63.764 63.200 -0.542 0.000 1.054 16 S HN 0.824 9.134 8.310 0.000 0.000 0.483 17 Y N 4.722 124.815 120.300 -0.345 0.000 2.346 17 Y HA 0.697 5.248 4.550 0.001 0.000 0.332 17 Y C -1.667 174.179 175.900 -0.089 0.000 0.985 17 Y CA -1.428 56.423 58.100 -0.415 0.000 1.112 17 Y CB 1.071 39.014 38.460 -0.861 0.000 1.170 17 Y HN 0.848 9.128 8.280 0.000 0.000 0.447 18 W N 8.680 129.687 121.300 -0.490 0.000 3.022 18 W HA 0.608 5.269 4.660 0.000 0.000 0.335 18 W C -1.856 174.435 176.519 -0.380 0.000 1.133 18 W CA -0.559 56.516 57.345 -0.450 0.000 1.219 18 W CB 1.425 30.784 29.460 -0.169 0.000 1.409 18 W HN 0.710 8.890 8.180 0.000 0.000 0.507 19 N N 1.545 119.366 118.700 -1.466 0.000 2.610 19 N HA 0.277 5.018 4.740 0.001 0.000 0.264 19 N C -0.385 174.117 175.510 -1.679 0.000 1.348 19 N CA -0.546 51.716 53.050 -1.313 0.000 0.819 19 N CB 1.406 39.544 38.487 -0.582 0.000 1.521 19 N HN 0.362 8.742 8.380 0.000 0.000 0.497 20 D N -1.462 118.303 120.400 -1.058 0.000 2.336 20 D HA 0.179 4.819 4.640 0.001 0.000 0.229 20 D C 1.142 177.288 176.300 -0.258 0.000 1.061 20 D CA 0.520 54.197 54.000 -0.539 0.000 0.875 20 D CB -0.672 40.028 40.800 -0.166 0.000 0.904 20 D HN 1.059 9.429 8.370 0.000 0.000 0.525 21 G N 0.298 108.924 108.800 -0.290 0.000 2.176 21 G HA2 -0.409 3.552 3.960 0.001 0.000 0.253 21 G HA3 -0.409 3.552 3.960 0.001 0.000 0.253 21 G C 0.997 175.851 174.900 -0.077 0.000 0.979 21 G CA 0.450 45.455 45.100 -0.159 0.000 0.641 21 G HN 0.538 8.828 8.290 0.000 0.000 0.530 22 H N 1.447 120.426 119.070 -0.151 0.000 2.319 22 H HA 0.192 4.748 4.556 0.001 0.000 0.299 22 H C 1.612 176.892 175.328 -0.081 0.000 1.092 22 H CA 3.298 59.285 56.048 -0.101 0.000 1.302 22 H CB -0.144 29.523 29.762 -0.160 0.000 1.373 22 H HN 1.810 10.090 8.280 0.000 0.000 0.497 23 G N -2.529 106.305 108.800 0.057 0.000 2.619 23 G HA2 0.195 4.156 3.960 0.001 0.000 0.686 23 G HA3 0.195 4.156 3.960 0.001 0.000 0.686 23 G C 0.560 175.543 174.900 0.138 0.000 1.256 23 G CA 0.227 45.343 45.100 0.027 0.000 0.826 23 G HN 1.061 9.351 8.290 0.000 0.000 0.619 24 G N -2.267 106.571 108.800 0.063 0.000 2.144 24 G HA2 0.205 4.166 3.960 0.001 0.000 0.218 24 G HA3 0.205 4.166 3.960 0.001 0.000 0.218 24 G C 0.188 175.114 174.900 0.044 0.000 0.988 24 G CA 0.758 45.905 45.100 0.078 0.000 0.659 24 G HN 2.004 10.294 8.290 0.000 0.000 0.522 25 V N 0.269 120.161 119.914 -0.035 0.000 2.709 25 V HA 0.804 4.925 4.120 0.001 0.000 0.308 25 V C -0.056 175.984 176.094 -0.090 0.000 1.062 25 V CA -0.431 61.775 62.300 -0.156 0.000 0.901 25 V CB 2.137 33.691 31.823 -0.447 0.000 1.003 25 V HN 0.273 8.463 8.190 0.000 0.000 0.425 26 T N 4.081 118.574 114.554 -0.102 0.000 2.840 26 T HA 0.498 4.849 4.350 0.001 0.000 0.287 26 T C -1.352 173.249 174.700 -0.165 0.000 0.991 26 T CA -0.303 61.742 62.100 -0.092 0.000 0.964 26 T CB 0.869 69.703 68.868 -0.056 0.000 0.954 26 T HN 0.592 8.832 8.240 0.000 0.000 0.438 27 Y N 2.611 122.654 120.300 -0.429 0.000 2.335 27 Y HA 0.590 5.141 4.550 0.000 0.000 0.338 27 Y C -0.451 175.241 175.900 -0.347 0.000 0.977 27 Y CA -0.431 57.334 58.100 -0.558 0.000 1.114 27 Y CB 1.378 38.991 38.460 -1.412 0.000 1.182 27 Y HN 0.546 8.826 8.280 0.000 0.000 0.463 28 T N 6.030 120.093 114.554 -0.818 0.000 2.879 28 T HA 0.270 4.620 4.350 0.001 0.000 0.290 28 T C -0.997 173.332 174.700 -0.620 0.000 0.993 28 T CA -0.974 60.809 62.100 -0.528 0.000 0.975 28 T CB 0.617 69.309 68.868 -0.292 0.000 0.981 28 T HN 0.516 8.756 8.240 0.000 0.000 0.439 29 N N 1.816 120.273 118.700 -0.406 0.000 2.488 29 N HA 0.496 5.236 4.740 0.001 0.000 0.274 29 N C 0.376 175.787 175.510 -0.164 0.000 1.111 29 N CA 0.115 53.002 53.050 -0.273 0.000 0.974 29 N CB 1.599 39.928 38.487 -0.263 0.000 1.089 29 N HN 0.844 9.224 8.380 0.000 0.000 0.465 30 G N 1.541 110.278 108.800 -0.105 0.000 2.820 30 G HA2 0.509 4.470 3.960 0.001 0.000 0.291 30 G HA3 0.509 4.470 3.960 0.001 0.000 0.291 30 G C -2.695 172.190 174.900 -0.024 0.000 1.323 30 G CA -1.131 43.927 45.100 -0.071 0.000 1.055 30 G HN 0.310 8.600 8.290 0.000 0.000 0.520 31 P HA 0.207 4.627 4.420 0.000 0.000 0.269 31 P C 1.059 178.379 177.300 0.033 0.000 1.209 31 P CA 1.280 64.391 63.100 0.017 0.000 0.776 31 P CB 0.771 32.477 31.700 0.010 0.000 0.876 32 G N 2.988 111.841 108.800 0.088 0.000 2.611 32 G HA2 -0.270 3.691 3.960 0.001 0.000 0.301 32 G HA3 -0.270 3.691 3.960 0.001 0.000 0.301 32 G C 0.820 175.749 174.900 0.047 0.000 1.233 32 G CA 0.264 45.447 45.100 0.140 0.000 0.993 32 G HN 0.782 9.072 8.290 0.000 0.000 0.553 33 G N 0.284 108.918 108.800 -0.275 0.000 3.518 33 G HA2 0.449 4.409 3.960 0.001 0.000 0.273 33 G HA3 0.449 4.409 3.960 0.001 0.000 0.273 33 G C 0.507 175.278 174.900 -0.216 0.000 1.199 33 G CA 1.043 45.727 45.100 -0.693 0.000 0.899 33 G HN 0.740 9.030 8.290 0.000 0.000 0.533 34 Q N 0.458 120.209 119.800 -0.082 0.000 2.235 34 Q HA 0.587 4.928 4.340 0.001 0.000 0.250 34 Q C -1.062 174.957 176.000 0.031 0.000 0.909 34 Q CA -0.842 54.929 55.803 -0.052 0.000 0.910 34 Q CB 1.040 29.730 28.738 -0.079 0.000 1.223 34 Q HN 0.256 8.526 8.270 0.000 0.000 0.432 35 F N -0.527 119.349 119.950 -0.125 0.000 2.613 35 F HA 0.736 5.263 4.527 0.001 0.000 0.310 35 F C -1.344 174.333 175.800 -0.205 0.000 1.085 35 F CA -0.871 56.987 58.000 -0.237 0.000 0.945 35 F CB 1.729 40.611 39.000 -0.197 0.000 1.298 35 F HN 0.265 8.565 8.300 0.000 0.000 0.455 36 S N 1.357 116.911 115.700 -0.243 0.000 2.536 36 S HA 0.837 5.307 4.470 0.001 0.000 0.287 36 S C -1.364 173.159 174.600 -0.128 0.000 1.101 36 S CA -0.735 57.347 58.200 -0.195 0.000 0.950 36 S CB 2.083 65.183 63.200 -0.166 0.000 1.056 36 S HN 0.634 8.944 8.310 0.000 0.000 0.481 37 V N 3.000 122.957 119.914 0.072 0.000 2.623 37 V HA 0.588 4.709 4.120 0.001 0.000 0.304 37 V C -0.780 175.514 176.094 0.333 0.000 1.054 37 V CA -0.822 61.581 62.300 0.171 0.000 0.882 37 V CB 1.833 33.851 31.823 0.325 0.000 1.002 37 V HN 0.858 9.048 8.190 0.000 0.000 0.424 38 N N 3.884 122.722 118.700 0.230 0.000 2.346 38 N HA 0.698 5.439 4.740 0.001 0.000 0.289 38 N C -1.225 174.446 175.510 0.269 0.000 1.027 38 N CA -0.617 52.559 53.050 0.210 0.000 0.864 38 N CB 1.839 40.346 38.487 0.033 0.000 1.370 38 N HN 0.777 9.157 8.380 0.000 0.000 0.481 39 W N 1.926 123.176 121.300 -0.082 0.000 3.033 39 W HA 0.740 5.400 4.660 0.000 0.000 0.336 39 W C -1.373 175.128 176.519 -0.030 0.000 1.173 39 W CA -1.117 56.164 57.345 -0.106 0.000 1.185 39 W CB 1.283 30.632 29.460 -0.185 0.000 1.425 39 W HN 0.441 8.621 8.180 0.000 0.000 0.536 40 S N 2.974 118.747 115.700 0.122 0.000 2.706 40 S HA 0.259 4.729 4.470 0.001 0.000 0.270 40 S C -0.518 174.144 174.600 0.103 0.000 1.163 40 S CA -0.612 57.605 58.200 0.028 0.000 1.042 40 S CB -0.061 63.134 63.200 -0.008 0.000 1.079 40 S HN 0.747 9.057 8.310 0.000 0.000 0.474 41 N N 2.107 120.876 118.700 0.114 0.000 2.705 41 N HA -0.149 4.591 4.740 0.001 0.000 0.255 41 N C 0.200 175.791 175.510 0.135 0.000 1.008 41 N CA 1.361 54.491 53.050 0.134 0.000 0.742 41 N CB -1.667 36.896 38.487 0.128 0.000 0.906 41 N HN 0.913 9.293 8.380 0.000 0.000 0.541 42 S N -1.610 114.151 115.700 0.102 0.000 2.640 42 S HA 0.709 5.180 4.470 0.001 0.000 0.262 42 S C 1.191 175.327 174.600 -0.773 0.000 1.232 42 S CA 0.074 58.234 58.200 -0.067 0.000 0.988 42 S CB 1.721 65.004 63.200 0.139 0.000 1.034 42 S HN 0.374 8.684 8.310 0.000 0.000 0.569 43 G N -0.072 108.184 108.800 -0.906 0.000 3.227 43 G HA2 0.302 4.263 3.960 0.001 0.000 0.171 43 G HA3 0.302 4.263 3.960 0.001 0.000 0.171 43 G C -0.635 173.581 174.900 -1.141 0.000 1.463 43 G CA -0.804 43.293 45.100 -1.672 0.000 1.016 43 G HN 0.863 9.153 8.290 0.000 0.000 0.594 44 N N -0.440 117.858 118.700 -0.671 0.000 2.408 44 N HA 0.540 5.280 4.740 0.001 0.000 0.280 44 N C -1.391 174.115 175.510 -0.007 0.000 1.002 44 N CA -0.540 52.413 53.050 -0.162 0.000 0.907 44 N CB 1.173 39.796 38.487 0.227 0.000 1.161 44 N HN 0.351 8.731 8.380 0.000 0.000 0.488 45 F N 0.942 120.855 119.950 -0.060 0.000 2.686 45 F HA 0.722 5.249 4.527 0.000 0.000 0.311 45 F C -1.917 173.929 175.800 0.077 0.000 1.128 45 F CA -0.844 57.141 58.000 -0.026 0.000 0.946 45 F CB 1.026 39.949 39.000 -0.127 0.000 1.336 45 F HN 0.006 8.306 8.300 0.000 0.000 0.457 46 V N 1.148 121.235 119.914 0.289 0.000 2.711 46 V HA 0.871 4.992 4.120 0.001 0.000 0.304 46 V C -0.370 175.870 176.094 0.244 0.000 1.097 46 V CA -0.288 62.065 62.300 0.088 0.000 0.906 46 V CB 1.414 33.238 31.823 0.001 0.000 1.015 46 V HN 1.349 9.539 8.190 0.000 0.000 0.427 47 G N 1.548 110.453 108.800 0.175 0.000 2.706 47 G HA2 0.898 4.858 3.960 0.001 0.000 0.297 47 G HA3 0.898 4.858 3.960 0.001 0.000 0.297 47 G C -0.538 174.232 174.900 -0.217 0.000 1.403 47 G CA -0.028 45.090 45.100 0.030 0.000 0.954 47 G HN 1.323 9.613 8.290 0.000 0.000 0.500 48 G N -0.299 108.199 108.800 -0.502 0.000 2.322 48 G HA2 0.564 4.524 3.960 0.001 0.000 0.295 48 G HA3 0.564 4.524 3.960 0.001 0.000 0.295 48 G C -1.735 172.825 174.900 -0.567 0.000 1.369 48 G CA -0.824 43.617 45.100 -1.099 0.000 0.821 48 G HN 0.618 8.908 8.290 0.000 0.000 0.536 49 K N -0.957 119.210 120.400 -0.389 0.000 2.340 49 K HA 0.814 5.135 4.320 0.001 0.000 0.244 49 K C 0.238 176.854 176.600 0.026 0.000 0.973 49 K CA -0.043 56.209 56.287 -0.059 0.000 0.828 49 K CB 2.359 34.881 32.500 0.037 0.000 1.226 49 K HN 1.215 9.465 8.250 0.000 0.000 0.437 50 G N 0.562 109.375 108.800 0.021 0.000 2.609 50 G HA2 0.177 4.137 3.960 0.001 0.000 0.082 50 G HA3 0.177 4.137 3.960 0.001 0.000 0.082 50 G C -1.764 173.007 174.900 -0.217 0.000 1.075 50 G CA -0.659 44.364 45.100 -0.127 0.000 1.172 50 G HN 0.472 8.762 8.290 0.000 0.000 0.532 51 W N 0.014 121.556 121.300 0.404 0.000 2.950 51 W HA 0.718 5.378 4.660 0.001 0.000 0.340 51 W C -0.854 175.719 176.519 0.091 0.000 1.139 51 W CA -0.434 57.089 57.345 0.297 0.000 1.188 51 W CB 2.212 31.801 29.460 0.216 0.000 1.426 51 W HN 0.561 8.741 8.180 0.000 0.000 0.531 52 Q N 3.003 122.925 119.800 0.204 0.000 2.374 52 Q HA 0.319 4.660 4.340 0.001 0.000 0.250 52 Q C -2.584 173.456 176.000 0.067 0.000 0.918 52 Q CA -1.185 54.519 55.803 -0.165 0.000 0.778 52 Q CB 1.827 29.927 28.738 -1.063 0.000 1.328 52 Q HN 0.095 8.365 8.270 0.000 0.000 0.445 53 P HA 0.525 4.945 4.420 0.000 0.000 0.278 53 P C -0.096 177.273 177.300 0.116 0.000 1.258 53 P CA -0.324 62.794 63.100 0.032 0.000 0.811 53 P CB 1.295 32.996 31.700 0.002 0.000 1.063 54 G N -0.204 108.660 108.800 0.107 0.000 2.532 54 G HA2 0.618 4.578 3.960 0.001 0.000 0.291 54 G HA3 0.618 4.578 3.960 0.001 0.000 0.291 54 G C -0.450 174.472 174.900 0.036 0.000 1.349 54 G CA -0.296 44.881 45.100 0.128 0.000 1.038 54 G HN 0.786 9.076 8.290 0.000 0.000 0.518 55 T N -3.493 111.072 114.554 0.018 0.000 2.838 55 T HA 0.472 4.823 4.350 0.001 0.000 0.292 55 T C 0.366 175.107 174.700 0.067 0.000 1.113 55 T CA -0.829 61.269 62.100 -0.004 0.000 1.008 55 T CB 2.132 70.970 68.868 -0.049 0.000 1.259 55 T HN 0.322 8.562 8.240 0.000 0.000 0.520 56 K N 0.606 121.036 120.400 0.049 0.000 2.404 56 K HA 0.165 4.486 4.320 0.001 0.000 0.194 56 K C 0.581 177.304 176.600 0.204 0.000 1.023 56 K CA 0.181 56.577 56.287 0.182 0.000 1.094 56 K CB 0.017 32.533 32.500 0.027 0.000 0.841 56 K HN 0.642 8.892 8.250 0.000 0.000 0.523 57 N N 0.365 119.096 118.700 0.053 0.000 2.307 57 N HA 0.002 4.742 4.740 0.001 0.000 0.248 57 N C -0.729 174.737 175.510 -0.073 0.000 1.322 57 N CA -0.386 52.646 53.050 -0.030 0.000 0.861 57 N CB 0.174 38.638 38.487 -0.038 0.000 1.303 57 N HN -0.113 8.267 8.380 0.000 0.000 0.498 58 K N 0.730 121.082 120.400 -0.079 0.000 2.350 58 K HA 0.280 4.600 4.320 0.001 0.000 0.279 58 K C -0.825 175.702 176.600 -0.122 0.000 1.027 58 K CA -0.297 55.899 56.287 -0.152 0.000 0.969 58 K CB 0.884 33.235 32.500 -0.249 0.000 0.954 58 K HN -0.094 8.156 8.250 0.000 0.000 0.474 59 V N 6.787 126.640 119.914 -0.102 0.000 2.328 59 V HA 0.285 4.405 4.120 0.001 0.000 0.278 59 V C -0.032 176.074 176.094 0.021 0.000 1.021 59 V CA -0.641 61.640 62.300 -0.032 0.000 0.838 59 V CB 0.864 32.680 31.823 -0.013 0.000 0.999 59 V HN 0.651 8.841 8.190 0.000 0.000 0.447 60 I N 5.567 126.198 120.570 0.102 0.000 2.353 60 I HA 0.406 4.577 4.170 0.001 0.000 0.293 60 I C 0.100 176.420 176.117 0.339 0.000 0.992 60 I CA -0.258 61.197 61.300 0.259 0.000 1.268 60 I CB 1.029 39.227 38.000 0.331 0.000 1.387 60 I HN 0.552 8.762 8.210 0.000 0.000 0.478 61 N N 7.125 126.042 118.700 0.361 0.000 2.405 61 N HA 0.612 5.353 4.740 0.001 0.000 0.299 61 N C -1.125 174.607 175.510 0.370 0.000 1.075 61 N CA -0.356 52.858 53.050 0.273 0.000 0.884 61 N CB 2.486 41.074 38.487 0.169 0.000 1.194 61 N HN 0.422 8.802 8.380 0.000 0.000 0.491 62 F N -1.080 118.951 119.950 0.136 0.000 2.619 62 F HA 0.708 5.236 4.527 0.002 0.000 0.308 62 F C -0.663 175.183 175.800 0.077 0.000 1.097 62 F CA -0.988 57.079 58.000 0.112 0.000 0.953 62 F CB 1.227 40.310 39.000 0.138 0.000 1.287 62 F HN 0.406 8.706 8.300 0.000 0.000 0.446 63 S N 0.927 116.671 115.700 0.074 0.000 2.596 63 S HA 1.030 5.500 4.470 0.001 0.000 0.270 63 S C -0.548 174.088 174.600 0.060 0.000 1.155 63 S CA -0.348 57.846 58.200 -0.010 0.000 0.827 63 S CB 1.348 64.518 63.200 -0.051 0.000 1.130 63 S HN 2.545 10.854 8.310 0.000 0.000 0.467 64 G N 0.581 109.411 108.800 0.049 0.000 2.320 64 G HA2 0.413 4.373 3.960 0.001 0.000 0.274 64 G HA3 0.413 4.373 3.960 0.001 0.000 0.274 64 G C -0.925 174.022 174.900 0.078 0.000 1.324 64 G CA -0.195 44.928 45.100 0.038 0.000 0.957 64 G HN 1.998 10.288 8.290 0.000 0.000 0.481 65 S N -1.131 114.615 115.700 0.076 0.000 2.482 65 S HA 0.716 5.186 4.470 0.001 0.000 0.303 65 S C -1.202 173.523 174.600 0.209 0.000 1.091 65 S CA -0.626 57.642 58.200 0.112 0.000 1.057 65 S CB 2.141 65.372 63.200 0.052 0.000 1.031 65 S HN 1.781 10.091 8.310 0.000 0.000 0.485 66 Y N 2.288 122.642 120.300 0.089 0.000 2.349 66 Y HA 0.501 5.051 4.550 0.000 0.000 0.324 66 Y C -1.461 174.508 175.900 0.115 0.000 1.005 66 Y CA -1.324 56.858 58.100 0.137 0.000 1.240 66 Y CB 1.078 39.644 38.460 0.177 0.000 1.117 66 Y HN 0.863 9.143 8.280 0.000 0.000 0.463 67 N N 8.054 126.605 118.700 -0.249 0.000 2.844 67 N HA 0.290 5.030 4.740 0.001 0.000 0.268 67 N C -3.046 172.227 175.510 -0.395 0.000 1.574 67 N CA -1.392 51.481 53.050 -0.295 0.000 0.838 67 N CB 1.085 39.473 38.487 -0.165 0.000 1.177 67 N HN 0.340 8.720 8.380 0.000 0.000 0.495 68 P HA 0.106 4.526 4.420 0.000 0.000 0.275 68 P C -0.740 176.465 177.300 -0.159 0.000 1.228 68 P CA -0.216 62.737 63.100 -0.245 0.000 0.786 68 P CB 1.027 32.654 31.700 -0.122 0.000 0.927 69 N N 1.217 119.835 118.700 -0.137 0.000 2.918 69 N HA 0.438 5.178 4.740 0.001 0.000 0.270 69 N C 0.101 175.630 175.510 0.031 0.000 1.536 69 N CA 0.071 53.069 53.050 -0.087 0.000 0.877 69 N CB -0.109 38.274 38.487 -0.174 0.000 1.190 69 N HN 0.794 9.174 8.380 0.000 0.000 0.492 70 G N 1.455 110.320 108.800 0.108 0.000 2.297 70 G HA2 -0.176 3.784 3.960 0.001 0.000 0.209 70 G HA3 -0.176 3.784 3.960 0.001 0.000 0.209 70 G C -1.013 174.051 174.900 0.273 0.000 1.267 70 G CA -0.998 44.209 45.100 0.178 0.000 1.127 70 G HN 0.557 8.847 8.290 0.000 0.000 0.498 71 N N 0.601 119.488 118.700 0.311 0.000 2.427 71 N HA 0.454 5.195 4.740 0.001 0.000 0.269 71 N C -0.194 175.550 175.510 0.391 0.000 1.235 71 N CA 0.973 54.246 53.050 0.371 0.000 0.934 71 N CB 0.304 39.015 38.487 0.373 0.000 1.121 71 N HN 0.914 9.294 8.380 0.000 0.000 0.480 72 S N 2.906 118.849 115.700 0.406 0.000 2.597 72 S HA 0.438 4.908 4.470 0.001 0.000 0.274 72 S C -2.028 172.858 174.600 0.477 0.000 1.132 72 S CA -0.752 57.646 58.200 0.329 0.000 0.835 72 S CB 0.511 64.036 63.200 0.542 0.000 1.092 72 S HN 0.553 8.863 8.310 0.000 0.000 0.457 73 Y N 0.778 121.281 120.300 0.338 0.000 2.571 73 Y HA 0.848 5.399 4.550 0.000 0.000 0.341 73 Y C -1.635 174.318 175.900 0.088 0.000 1.076 73 Y CA -1.388 56.889 58.100 0.295 0.000 1.029 73 Y CB 0.887 39.484 38.460 0.227 0.000 1.308 73 Y HN 0.627 8.907 8.280 0.000 0.000 0.461 74 L N 3.528 124.816 121.223 0.109 0.000 2.325 74 L HA 0.896 5.236 4.340 0.001 0.000 0.281 74 L C -0.741 176.165 176.870 0.060 0.000 1.004 74 L CA -0.146 54.597 54.840 -0.162 0.000 0.823 74 L CB 1.343 42.969 42.059 -0.721 0.000 1.236 74 L HN 1.033 9.263 8.230 0.000 0.000 0.415 75 S N 2.996 118.774 115.700 0.131 0.000 2.615 75 S HA 0.678 5.149 4.470 0.001 0.000 0.269 75 S C -1.100 173.585 174.600 0.142 0.000 1.161 75 S CA -0.915 57.385 58.200 0.167 0.000 0.817 75 S CB 1.116 64.547 63.200 0.386 0.000 1.131 75 S HN 0.387 8.697 8.310 0.000 0.000 0.467 76 V N 2.533 122.532 119.914 0.141 0.000 2.530 76 V HA 0.505 4.625 4.120 0.001 0.000 0.282 76 V C -0.834 175.391 176.094 0.219 0.000 1.048 76 V CA -0.094 62.316 62.300 0.183 0.000 0.997 76 V CB 0.373 32.302 31.823 0.177 0.000 0.987 76 V HN 0.831 9.021 8.190 0.000 0.000 0.477 77 Y N 3.694 123.973 120.300 -0.036 0.000 2.492 77 Y HA 0.820 5.371 4.550 0.000 0.000 0.346 77 Y C 0.052 175.655 175.900 -0.494 0.000 0.997 77 Y CA -0.160 57.707 58.100 -0.389 0.000 1.025 77 Y CB 2.130 40.404 38.460 -0.311 0.000 1.263 77 Y HN 0.784 9.064 8.280 0.000 0.000 0.454 78 G N 2.349 110.030 108.800 -1.866 0.000 2.488 78 G HA2 0.438 4.398 3.960 0.001 0.000 0.301 78 G HA3 0.438 4.398 3.960 0.001 0.000 0.301 78 G C -2.494 171.317 174.900 -1.815 0.000 1.339 78 G CA -0.898 43.222 45.100 -1.633 0.000 0.803 78 G HN 0.597 8.887 8.290 0.000 0.000 0.482 79 W N -0.696 119.953 121.300 -1.085 0.000 2.975 79 W HA 0.764 5.425 4.660 0.001 0.000 0.342 79 W C 0.164 176.493 176.519 -0.316 0.000 1.168 79 W CA -0.606 56.327 57.345 -0.687 0.000 1.141 79 W CB 2.539 31.536 29.460 -0.773 0.000 1.445 79 W HN 0.711 8.891 8.180 0.000 0.000 0.560 80 S N 0.920 116.667 115.700 0.079 0.000 2.569 80 S HA 0.787 5.257 4.470 0.001 0.000 0.280 80 S C -1.119 173.481 174.600 0.000 0.000 1.111 80 S CA -0.830 57.372 58.200 0.003 0.000 0.887 80 S CB 1.124 64.305 63.200 -0.032 0.000 1.095 80 S HN 0.495 8.805 8.310 0.000 0.000 0.476 81 R N 2.015 122.490 120.500 -0.043 0.000 2.740 81 R HA 0.514 4.855 4.340 0.001 0.000 0.282 81 R C -0.732 175.546 176.300 -0.037 0.000 0.969 81 R CA -0.916 55.155 56.100 -0.049 0.000 0.918 81 R CB 0.886 31.139 30.300 -0.079 0.000 1.175 81 R HN 0.810 9.080 8.270 0.000 0.000 0.464 82 N N 1.349 120.036 118.700 -0.021 0.000 2.642 82 N HA -0.112 4.628 4.740 0.001 0.000 0.269 82 N C -2.485 173.016 175.510 -0.015 0.000 1.073 82 N CA 0.567 53.608 53.050 -0.014 0.000 0.748 82 N CB -1.043 37.429 38.487 -0.024 0.000 0.894 82 N HN 0.502 8.882 8.380 0.000 0.000 0.548 83 P HA 0.184 4.604 4.420 0.000 0.000 0.279 83 P C 0.102 177.429 177.300 0.045 0.000 1.252 83 P CA -0.799 62.324 63.100 0.038 0.000 0.811 83 P CB 0.972 32.716 31.700 0.072 0.000 1.035 84 L N 3.247 124.515 121.223 0.074 0.000 2.385 84 L HA 0.286 4.627 4.340 0.001 0.000 0.281 84 L C -0.564 176.405 176.870 0.165 0.000 1.106 84 L CA 0.368 55.256 54.840 0.080 0.000 0.856 84 L CB -0.834 41.257 42.059 0.053 0.000 1.186 84 L HN 0.178 8.408 8.230 0.000 0.000 0.453 85 I N 4.699 125.348 120.570 0.132 0.000 2.619 85 I HA 0.352 4.522 4.170 0.001 0.000 0.292 85 I C -0.451 175.564 176.117 -0.170 0.000 1.100 85 I CA -0.495 60.873 61.300 0.114 0.000 1.043 85 I CB 2.030 40.086 38.000 0.093 0.000 1.239 85 I HN 0.596 8.806 8.210 0.000 0.000 0.420 86 E N 6.229 126.174 120.200 -0.425 0.000 2.151 86 E HA 0.506 4.856 4.350 0.001 0.000 0.275 86 E C -1.798 174.412 176.600 -0.650 0.000 0.936 86 E CA -0.435 55.231 56.400 -1.222 0.000 0.777 86 E CB 1.531 30.399 29.700 -1.388 0.000 1.108 86 E HN 0.471 8.831 8.360 0.000 0.000 0.401 87 Y N 2.119 121.943 120.300 -0.794 0.000 2.570 87 Y HA 0.649 5.200 4.550 0.001 0.000 0.345 87 Y C -1.852 173.735 175.900 -0.523 0.000 1.014 87 Y CA -1.216 56.595 58.100 -0.481 0.000 1.063 87 Y CB 1.066 39.444 38.460 -0.136 0.000 1.272 87 Y HN 0.329 8.609 8.280 0.000 0.000 0.477 88 Y N 2.150 122.423 120.300 -0.045 0.000 2.433 88 Y HA 0.594 5.145 4.550 0.000 0.000 0.337 88 Y C -0.935 175.140 175.900 0.291 0.000 1.026 88 Y CA -1.201 56.904 58.100 0.009 0.000 1.037 88 Y CB 2.268 40.442 38.460 -0.476 0.000 1.245 88 Y HN 0.608 8.888 8.280 0.000 0.000 0.443 89 I N 4.481 125.300 120.570 0.414 0.000 2.460 89 I HA 0.282 4.452 4.170 0.001 0.000 0.277 89 I C -0.907 175.387 176.117 0.296 0.000 1.057 89 I CA -0.751 60.698 61.300 0.249 0.000 1.179 89 I CB 0.836 38.773 38.000 -0.104 0.000 1.329 89 I HN 0.280 8.490 8.210 0.000 0.000 0.478 90 V N 6.361 126.508 119.914 0.389 0.000 2.427 90 V HA 0.116 4.237 4.120 0.001 0.000 0.268 90 V C 1.124 177.394 176.094 0.292 0.000 1.046 90 V CA -0.093 62.397 62.300 0.316 0.000 0.970 90 V CB 0.859 32.840 31.823 0.263 0.000 1.001 90 V HN 0.643 8.833 8.190 0.000 0.000 0.476 91 E N 3.440 123.752 120.200 0.187 0.000 2.276 91 E HA 0.141 4.492 4.350 0.001 0.000 0.193 91 E C 0.492 177.131 176.600 0.064 0.000 0.983 91 E CA 0.368 56.867 56.400 0.165 0.000 0.861 91 E CB 0.519 30.297 29.700 0.130 0.000 0.817 91 E HN 0.808 9.168 8.360 0.000 0.000 0.485 92 N N -0.922 117.777 118.700 -0.002 0.000 2.745 92 N HA 0.316 5.057 4.740 0.001 0.000 0.256 92 N C -1.764 173.801 175.510 0.092 0.000 1.268 92 N CA -0.549 52.421 53.050 -0.133 0.000 0.887 92 N CB 1.431 39.970 38.487 0.087 0.000 1.575 92 N HN -0.111 8.269 8.380 0.000 0.000 0.496 93 F N -0.668 119.297 119.950 0.026 0.000 2.686 93 F HA 0.760 5.288 4.527 0.001 0.000 0.311 93 F C 0.514 176.481 175.800 0.278 0.000 1.128 93 F CA -0.609 57.530 58.000 0.232 0.000 0.946 93 F CB 0.523 39.584 39.000 0.102 0.000 1.336 93 F HN 0.430 8.730 8.300 0.000 0.000 0.457 94 G N 0.262 109.414 108.800 0.587 0.000 3.056 94 G HA2 0.265 4.225 3.960 0.001 0.000 0.175 94 G HA3 0.265 4.225 3.960 0.001 0.000 0.175 94 G C 0.843 175.995 174.900 0.419 0.000 1.894 94 G CA 0.568 45.903 45.100 0.391 0.000 0.910 94 G HN 1.029 9.319 8.290 0.000 0.000 0.462 95 T N -3.448 111.328 114.554 0.370 0.000 3.067 95 T HA 0.169 4.519 4.350 0.001 0.000 0.257 95 T C 0.226 175.153 174.700 0.379 0.000 1.105 95 T CA 0.434 62.729 62.100 0.325 0.000 1.104 95 T CB -0.085 68.928 68.868 0.241 0.000 0.925 95 T HN 0.225 8.465 8.240 0.000 0.000 0.498 96 Y N 2.129 122.561 120.300 0.221 0.000 2.376 96 Y HA 0.558 5.108 4.550 0.001 0.000 0.340 96 Y C -0.781 174.954 175.900 -0.275 0.000 0.965 96 Y CA -2.423 55.694 58.100 0.028 0.000 1.078 96 Y CB 1.305 39.775 38.460 0.016 0.000 1.193 96 Y HN -0.064 8.216 8.280 0.000 0.000 0.452 97 N N 8.043 126.120 118.700 -1.038 0.000 2.411 97 N HA 0.165 4.905 4.740 0.001 0.000 0.259 97 N C -1.934 172.591 175.510 -1.643 0.000 1.103 97 N CA -1.941 50.177 53.050 -1.554 0.000 0.954 97 N CB 1.498 39.404 38.487 -0.967 0.000 1.085 97 N HN 0.494 8.874 8.380 0.000 0.000 0.485 98 P HA -0.108 4.312 4.420 0.000 0.000 0.225 98 P C 0.756 177.094 177.300 -1.604 0.000 1.148 98 P CA 0.893 63.227 63.100 -1.277 0.000 0.779 98 P CB 0.221 31.179 31.700 -1.235 0.000 0.780 99 S N -2.174 112.599 115.700 -1.546 0.000 2.593 99 S HA 0.031 4.502 4.470 0.001 0.000 0.217 99 S C 0.820 174.720 174.600 -1.167 0.000 0.966 99 S CA -0.183 57.042 58.200 -1.625 0.000 0.914 99 S CB -1.435 60.686 63.200 -1.798 0.000 0.776 99 S HN 0.000 8.310 8.310 0.000 0.000 0.523 100 T N 2.650 116.637 114.554 -0.946 0.000 2.831 100 T HA 0.438 4.788 4.350 0.001 0.000 0.291 100 T C 1.402 175.863 174.700 -0.398 0.000 0.981 100 T CA 0.956 62.707 62.100 -0.582 0.000 1.174 100 T CB 0.182 68.755 68.868 -0.491 0.000 0.929 100 T HN 0.916 9.156 8.240 0.000 0.000 0.532 101 G N 2.141 110.767 108.800 -0.290 0.000 2.234 101 G HA2 -0.083 3.877 3.960 0.001 0.000 0.235 101 G HA3 -0.083 3.877 3.960 0.001 0.000 0.235 101 G C 0.304 175.093 174.900 -0.185 0.000 0.997 101 G CA -0.071 44.916 45.100 -0.188 0.000 0.623 101 G HN 1.135 9.425 8.290 0.000 0.000 0.514 102 A N 0.156 122.798 122.820 -0.297 0.000 2.304 102 A HA 0.728 5.049 4.320 0.001 0.000 0.271 102 A C 0.556 178.131 177.584 -0.014 0.000 1.091 102 A CA 0.915 52.838 52.037 -0.191 0.000 0.812 102 A CB 0.494 19.288 19.000 -0.343 0.000 1.056 102 A HN 0.729 8.879 8.150 0.000 0.000 0.489 103 T N 1.890 116.474 114.554 0.049 0.000 2.743 103 T HA 0.283 4.633 4.350 0.001 0.000 0.293 103 T C 0.179 174.947 174.700 0.113 0.000 0.945 103 T CA -0.223 61.918 62.100 0.068 0.000 1.030 103 T CB 0.408 69.274 68.868 -0.004 0.000 0.912 103 T HN 0.594 8.834 8.240 0.000 0.000 0.483 104 K N 3.231 123.681 120.400 0.084 0.000 2.379 104 K HA 0.158 4.478 4.320 0.001 0.000 0.284 104 K C 0.160 176.667 176.600 -0.154 0.000 1.044 104 K CA -0.511 55.651 56.287 -0.207 0.000 0.974 104 K CB 0.332 32.684 32.500 -0.247 0.000 0.962 104 K HN 0.284 8.534 8.250 0.000 0.000 0.474 105 L N 3.037 124.152 121.223 -0.181 0.000 2.388 105 L HA 0.364 4.704 4.340 0.001 0.000 0.209 105 L C 1.070 177.907 176.870 -0.055 0.000 1.061 105 L CA 1.124 55.915 54.840 -0.082 0.000 0.834 105 L CB -0.042 41.994 42.059 -0.037 0.000 1.029 105 L HN 0.985 9.215 8.230 0.000 0.000 0.473 106 G N -1.507 107.247 108.800 -0.077 0.000 2.393 106 G HA2 0.399 4.360 3.960 0.001 0.000 0.264 106 G HA3 0.399 4.360 3.960 0.001 0.000 0.264 106 G C -1.516 173.371 174.900 -0.020 0.000 1.221 106 G CA -0.549 44.532 45.100 -0.030 0.000 0.912 106 G HN -0.021 8.269 8.290 0.000 0.000 0.483 107 E N -1.732 118.486 120.200 0.030 0.000 2.408 107 E HA 0.629 4.980 4.350 0.001 0.000 0.275 107 E C -1.687 174.958 176.600 0.074 0.000 0.935 107 E CA -0.914 55.525 56.400 0.065 0.000 0.775 107 E CB 3.321 33.050 29.700 0.048 0.000 1.277 107 E HN 0.716 9.076 8.360 0.000 0.000 0.455 108 V N 0.786 120.763 119.914 0.105 0.000 2.932 108 V HA 0.476 4.596 4.120 0.001 0.000 0.307 108 V C -1.479 174.663 176.094 0.079 0.000 1.147 108 V CA -0.235 62.083 62.300 0.030 0.000 0.951 108 V CB 2.440 34.211 31.823 -0.088 0.000 1.031 108 V HN 0.749 8.939 8.190 0.000 0.000 0.426 109 T N 4.510 119.076 114.554 0.020 0.000 2.767 109 T HA 0.693 5.043 4.350 0.001 0.000 0.284 109 T C -0.616 174.081 174.700 -0.004 0.000 0.973 109 T CA -0.170 61.971 62.100 0.069 0.000 0.996 109 T CB 1.186 70.079 68.868 0.040 0.000 0.927 109 T HN 0.874 9.114 8.240 0.000 0.000 0.456 110 S N 2.465 118.224 115.700 0.098 0.000 2.543 110 S HA 0.344 4.814 4.470 0.001 0.000 0.273 110 S C -1.237 173.478 174.600 0.190 0.000 1.152 110 S CA -0.714 57.489 58.200 0.005 0.000 0.910 110 S CB 0.781 63.783 63.200 -0.329 0.000 1.105 110 S HN 0.824 9.134 8.310 0.000 0.000 0.465 111 D N 2.884 123.350 120.400 0.109 0.000 2.686 111 D HA -0.178 4.463 4.640 0.001 0.000 0.235 111 D C 0.911 177.306 176.300 0.157 0.000 1.160 111 D CA 1.702 55.787 54.000 0.141 0.000 0.645 111 D CB -1.478 39.434 40.800 0.187 0.000 1.039 111 D HN 1.546 9.916 8.370 0.000 0.000 0.423 112 G N -1.029 107.840 108.800 0.115 0.000 2.159 112 G HA2 -0.239 3.722 3.960 0.001 0.000 0.256 112 G HA3 -0.239 3.722 3.960 0.001 0.000 0.256 112 G C 0.172 175.128 174.900 0.093 0.000 0.977 112 G CA 0.794 45.948 45.100 0.090 0.000 0.652 112 G HN 1.040 9.330 8.290 0.000 0.000 0.531 113 S N -1.852 113.931 115.700 0.138 0.000 2.547 113 S HA 0.647 5.117 4.470 0.001 0.000 0.270 113 S C -0.264 174.423 174.600 0.145 0.000 1.150 113 S CA 0.075 58.322 58.200 0.079 0.000 0.850 113 S CB 1.958 65.137 63.200 -0.035 0.000 1.118 113 S HN 1.007 9.317 8.310 0.000 0.000 0.461 114 V N 3.674 123.637 119.914 0.082 0.000 2.607 114 V HA 0.464 4.585 4.120 0.001 0.000 0.289 114 V C -1.091 175.084 176.094 0.135 0.000 1.053 114 V CA -0.032 62.355 62.300 0.146 0.000 0.996 114 V CB 0.663 32.538 31.823 0.087 0.000 0.995 114 V HN 0.816 9.006 8.190 0.000 0.000 0.476 115 Y N 1.279 121.664 120.300 0.142 0.000 2.446 115 Y HA 0.449 4.999 4.550 -0.000 0.000 0.345 115 Y C 0.173 176.174 175.900 0.168 0.000 0.984 115 Y CA -1.122 57.105 58.100 0.213 0.000 1.058 115 Y CB 1.538 40.188 38.460 0.318 0.000 1.220 115 Y HN 0.562 8.842 8.280 0.000 0.000 0.455 116 D N 3.462 124.054 120.400 0.320 0.000 2.198 116 D HA 0.401 5.042 4.640 0.001 0.000 0.245 116 D C -0.507 175.839 176.300 0.077 0.000 1.079 116 D CA -0.071 53.991 54.000 0.103 0.000 0.854 116 D CB 1.916 42.753 40.800 0.062 0.000 1.148 116 D HN 0.397 8.767 8.370 0.000 0.000 0.456 117 I N 2.507 123.005 120.570 -0.119 0.000 2.359 117 I HA 0.286 4.456 4.170 0.001 0.000 0.294 117 I C -0.632 175.275 176.117 -0.351 0.000 0.987 117 I CA -0.558 60.756 61.300 0.022 0.000 1.225 117 I CB 0.665 38.793 38.000 0.215 0.000 1.366 117 I HN 0.237 8.447 8.210 0.000 0.000 0.466 118 Y N 4.345 124.694 120.300 0.081 0.000 2.638 118 Y HA 0.724 5.275 4.550 0.001 0.000 0.339 118 Y C -0.262 175.541 175.900 -0.162 0.000 1.084 118 Y CA -1.058 57.016 58.100 -0.044 0.000 1.068 118 Y CB 1.843 40.244 38.460 -0.098 0.000 1.294 118 Y HN 0.412 8.692 8.280 0.000 0.000 0.480 119 R N 0.217 120.679 120.500 -0.063 0.000 2.643 119 R HA 0.695 5.035 4.340 0.001 0.000 0.269 119 R C -1.884 174.357 176.300 -0.097 0.000 1.037 119 R CA -0.445 55.450 56.100 -0.342 0.000 0.894 119 R CB 2.388 32.206 30.300 -0.802 0.000 1.238 119 R HN 0.814 9.084 8.270 0.000 0.000 0.459 120 T N 1.196 115.751 114.554 0.002 0.000 2.932 120 T HA 0.215 4.565 4.350 0.001 0.000 0.318 120 T C -1.676 173.109 174.700 0.142 0.000 1.265 120 T CA -0.503 61.644 62.100 0.077 0.000 1.036 120 T CB 1.845 70.754 68.868 0.069 0.000 1.209 120 T HN 0.609 8.849 8.240 0.000 0.000 0.484 121 Q N 2.571 122.417 119.800 0.076 0.000 2.230 121 Q HA 0.537 4.878 4.340 0.001 0.000 0.253 121 Q C -0.740 175.122 176.000 -0.230 0.000 0.919 121 Q CA -0.867 54.861 55.803 -0.126 0.000 0.908 121 Q CB 0.672 29.293 28.738 -0.195 0.000 1.245 121 Q HN 0.437 8.707 8.270 0.000 0.000 0.437 122 R N 2.782 123.005 120.500 -0.463 0.000 2.360 122 R HA 0.390 4.730 4.340 0.001 0.000 0.318 122 R C -1.261 174.740 176.300 -0.499 0.000 0.950 122 R CA -0.594 55.187 56.100 -0.530 0.000 0.837 122 R CB 1.419 31.154 30.300 -0.941 0.000 1.165 122 R HN 0.399 8.669 8.270 0.000 0.000 0.458 123 V N 4.084 123.842 119.914 -0.261 0.000 2.394 123 V HA 0.131 4.251 4.120 0.001 0.000 0.282 123 V C 0.353 176.393 176.094 -0.089 0.000 1.031 123 V CA -0.861 61.339 62.300 -0.166 0.000 0.881 123 V CB 1.057 32.814 31.823 -0.110 0.000 0.982 123 V HN 0.757 8.947 8.190 0.000 0.000 0.451 124 N N 3.525 122.201 118.700 -0.041 0.000 2.705 124 N HA -0.160 4.580 4.740 0.001 0.000 0.255 124 N C -0.105 175.433 175.510 0.047 0.000 1.008 124 N CA 0.796 53.857 53.050 0.019 0.000 0.742 124 N CB -0.538 37.955 38.487 0.010 0.000 0.906 124 N HN 0.700 9.080 8.380 0.000 0.000 0.541 125 Q N -0.711 119.145 119.800 0.094 0.000 2.297 125 Q HA 0.577 4.917 4.340 0.001 0.000 0.269 125 Q C -2.220 173.942 176.000 0.270 0.000 1.051 125 Q CA -1.726 54.173 55.803 0.160 0.000 0.869 125 Q CB 0.971 29.785 28.738 0.126 0.000 1.346 125 Q HN 0.054 8.324 8.270 0.000 0.000 0.457 126 P HA 0.099 4.519 4.420 0.000 0.000 0.271 126 P C -0.718 176.661 177.300 0.131 0.000 1.218 126 P CA 0.240 63.411 63.100 0.117 0.000 0.780 126 P CB 0.805 32.538 31.700 0.054 0.000 0.901 127 S N 1.145 116.774 115.700 -0.118 0.000 2.643 127 S HA 0.334 4.804 4.470 0.001 0.000 0.270 127 S C 0.960 175.147 174.600 -0.690 0.000 1.166 127 S CA -0.787 57.089 58.200 -0.541 0.000 0.815 127 S CB 0.208 63.033 63.200 -0.625 0.000 1.139 127 S HN 0.388 8.698 8.310 0.000 0.000 0.472 128 I N -0.432 119.418 120.570 -1.201 0.000 2.850 128 I HA 0.101 4.271 4.170 0.001 0.000 0.266 128 I C 1.470 177.298 176.117 -0.480 0.000 1.257 128 I CA 1.331 62.129 61.300 -0.837 0.000 1.465 128 I CB -0.708 36.658 38.000 -1.055 0.000 1.091 128 I HN 0.686 8.896 8.210 0.000 0.000 0.467 129 I N -1.480 118.839 120.570 -0.418 0.000 4.081 129 I HA 0.723 4.893 4.170 0.001 0.000 0.333 129 I C 0.736 176.754 176.117 -0.165 0.000 1.413 129 I CA -0.030 61.124 61.300 -0.242 0.000 1.110 129 I CB 0.134 38.018 38.000 -0.195 0.000 1.082 129 I HN 0.275 8.485 8.210 0.000 0.000 0.402 130 G N 1.173 109.868 108.800 -0.174 0.000 2.466 130 G HA2 -0.148 3.812 3.960 0.001 0.000 0.316 130 G HA3 -0.148 3.812 3.960 0.001 0.000 0.316 130 G C -0.406 174.470 174.900 -0.040 0.000 1.270 130 G CA -0.431 44.614 45.100 -0.091 0.000 0.982 130 G HN 0.161 8.451 8.290 0.000 0.000 0.506 131 T N 1.276 115.832 114.554 0.003 0.000 2.829 131 T HA 0.584 4.934 4.350 0.001 0.000 0.293 131 T C 0.692 175.434 174.700 0.070 0.000 0.970 131 T CA 1.568 63.698 62.100 0.050 0.000 1.168 131 T CB 0.420 69.311 68.868 0.039 0.000 0.911 131 T HN 1.997 10.237 8.240 0.000 0.000 0.535 132 A N 3.295 126.207 122.820 0.153 0.000 2.581 132 A HA 0.777 5.097 4.320 0.001 0.000 0.290 132 A C -0.448 177.293 177.584 0.262 0.000 1.119 132 A CA -0.950 51.199 52.037 0.186 0.000 0.670 132 A CB 1.430 20.533 19.000 0.172 0.000 1.280 132 A HN 0.562 8.712 8.150 0.000 0.000 0.425 133 T N 1.401 116.068 114.554 0.189 0.000 2.792 133 T HA 0.724 5.075 4.350 0.001 0.000 0.280 133 T C -0.992 173.771 174.700 0.105 0.000 0.990 133 T CA 0.056 62.164 62.100 0.013 0.000 0.960 133 T CB 0.140 68.966 68.868 -0.070 0.000 0.939 133 T HN 1.098 9.338 8.240 0.000 0.000 0.439 134 F N 0.291 120.181 119.950 -0.101 0.000 2.741 134 F HA 0.721 5.249 4.527 0.000 0.000 0.313 134 F C -1.911 173.791 175.800 -0.163 0.000 1.153 134 F CA -1.823 56.114 58.000 -0.105 0.000 0.931 134 F CB 0.741 39.781 39.000 0.066 0.000 1.335 134 F HN 0.310 8.610 8.300 0.000 0.000 0.460 135 Y N 0.981 121.421 120.300 0.234 0.000 2.335 135 Y HA 0.532 5.083 4.550 0.001 0.000 0.323 135 Y C -0.039 175.969 175.900 0.180 0.000 1.224 135 Y CA -0.571 57.591 58.100 0.103 0.000 1.241 135 Y CB 1.337 39.881 38.460 0.141 0.000 1.235 135 Y HN 0.596 8.876 8.280 0.000 0.000 0.492 136 Q N 1.608 121.536 119.800 0.212 0.000 2.331 136 Q HA 0.355 4.696 4.340 0.001 0.000 0.267 136 Q C -1.856 174.073 176.000 -0.119 0.000 1.006 136 Q CA -0.727 55.108 55.803 0.053 0.000 0.818 136 Q CB 1.222 30.005 28.738 0.074 0.000 1.276 136 Q HN 0.668 8.938 8.270 0.000 0.000 0.450 137 Y N 1.582 121.688 120.300 -0.324 0.000 2.360 137 Y HA 0.428 4.978 4.550 0.001 0.000 0.337 137 Y C -1.001 174.608 175.900 -0.485 0.000 1.039 137 Y CA -0.214 57.580 58.100 -0.509 0.000 1.109 137 Y CB 1.209 39.041 38.460 -1.046 0.000 1.201 137 Y HN 0.550 8.830 8.280 0.000 0.000 0.458 138 W N 1.080 122.314 121.300 -0.110 0.000 2.883 138 W HA 0.635 5.295 4.660 0.000 0.000 0.335 138 W C -0.823 175.915 176.519 0.365 0.000 1.083 138 W CA -0.643 56.793 57.345 0.153 0.000 1.233 138 W CB 2.103 31.613 29.460 0.082 0.000 1.412 138 W HN 0.198 8.378 8.180 0.000 0.000 0.490 139 S N 1.923 118.087 115.700 0.774 0.000 2.596 139 S HA 0.589 5.059 4.470 0.001 0.000 0.318 139 S C -1.015 174.018 174.600 0.722 0.000 1.097 139 S CA -0.619 58.040 58.200 0.766 0.000 1.080 139 S CB 0.969 64.559 63.200 0.650 0.000 0.991 139 S HN 0.203 8.513 8.310 0.000 0.000 0.471 140 V N 4.797 125.111 119.914 0.668 0.000 2.357 140 V HA 0.420 4.541 4.120 0.001 0.000 0.284 140 V C 0.506 176.804 176.094 0.341 0.000 1.018 140 V CA -0.837 61.753 62.300 0.482 0.000 0.841 140 V CB 1.151 33.165 31.823 0.318 0.000 0.991 140 V HN 0.738 8.928 8.190 0.000 0.000 0.437 141 R N 3.705 124.266 120.500 0.102 0.000 2.489 141 R HA 0.184 4.525 4.340 0.001 0.000 0.287 141 R C 1.274 177.556 176.300 -0.030 0.000 1.053 141 R CA -0.035 55.777 56.100 -0.481 0.000 1.036 141 R CB 0.479 30.502 30.300 -0.461 0.000 0.966 141 R HN 0.644 8.914 8.270 0.000 0.000 0.432 142 R N 2.013 122.457 120.500 -0.094 0.000 2.073 142 R HA -0.028 4.312 4.340 0.001 0.000 0.229 142 R C 0.027 176.324 176.300 -0.005 0.000 1.120 142 R CA 0.950 57.069 56.100 0.031 0.000 0.967 142 R CB 0.013 30.314 30.300 0.003 0.000 0.862 142 R HN 0.551 8.822 8.270 0.000 0.000 0.436 143 N N 1.779 120.466 118.700 -0.022 0.000 2.558 143 N HA 0.067 4.808 4.740 0.001 0.000 0.233 143 N C -0.962 174.609 175.510 0.101 0.000 1.038 143 N CA -0.051 52.985 53.050 -0.024 0.000 0.934 143 N CB 0.642 39.120 38.487 -0.014 0.000 1.175 143 N HN 0.109 8.489 8.380 0.000 0.000 0.512 144 H N 1.669 120.705 119.070 -0.058 0.000 2.972 144 H HA 0.172 4.728 4.556 0.000 0.000 0.343 144 H C 1.024 176.377 175.328 0.042 0.000 1.054 144 H CA 0.329 56.358 56.048 -0.031 0.000 1.412 144 H CB 0.666 30.362 29.762 -0.111 0.000 1.385 144 H HN 0.521 8.801 8.280 0.000 0.000 0.600 145 R N -0.367 120.276 120.500 0.238 0.000 2.716 145 R HA 0.542 4.882 4.340 0.001 0.000 0.271 145 R C -0.715 175.765 176.300 0.301 0.000 1.028 145 R CA -0.841 55.392 56.100 0.221 0.000 0.883 145 R CB 0.721 31.132 30.300 0.184 0.000 1.250 145 R HN 0.342 8.612 8.270 0.000 0.000 0.465 146 S N -0.151 115.716 115.700 0.279 0.000 2.603 146 S HA 0.174 4.645 4.470 0.001 0.000 0.232 146 S C -0.367 174.419 174.600 0.310 0.000 1.016 146 S CA 0.178 58.595 58.200 0.361 0.000 0.976 146 S CB 0.486 63.867 63.200 0.301 0.000 0.921 146 S HN 0.683 8.993 8.310 0.000 0.000 0.516 147 S N -0.116 115.576 115.700 -0.013 0.000 2.537 147 S HA 0.901 5.372 4.470 0.001 0.000 0.270 147 S C -0.316 173.874 174.600 -0.683 0.000 1.142 147 S CA -0.236 57.654 58.200 -0.515 0.000 0.870 147 S CB 1.805 64.880 63.200 -0.208 0.000 1.112 147 S HN 0.564 8.874 8.310 0.000 0.000 0.466 148 G N 0.551 108.763 108.800 -0.979 0.000 2.350 148 G HA2 0.440 4.401 3.960 0.001 0.000 0.276 148 G HA3 0.440 4.401 3.960 0.001 0.000 0.276 148 G C -1.235 173.441 174.900 -0.374 0.000 1.313 148 G CA -0.048 44.761 45.100 -0.485 0.000 0.903 148 G HN 1.584 9.874 8.290 0.000 0.000 0.490 149 S N -1.400 114.280 115.700 -0.033 0.000 2.538 149 S HA 0.705 5.175 4.470 0.001 0.000 0.288 149 S C -0.968 173.764 174.600 0.221 0.000 1.108 149 S CA -0.461 57.808 58.200 0.115 0.000 0.971 149 S CB 1.725 64.963 63.200 0.063 0.000 1.041 149 S HN 1.277 9.587 8.310 0.000 0.000 0.483 150 V N 5.172 125.243 119.914 0.261 0.000 2.409 150 V HA 0.452 4.572 4.120 0.001 0.000 0.291 150 V C -0.176 175.960 176.094 0.071 0.000 1.020 150 V CA -0.988 61.432 62.300 0.200 0.000 0.848 150 V CB 1.529 33.479 31.823 0.212 0.000 0.990 150 V HN 0.874 9.064 8.190 0.000 0.000 0.430 151 N N 3.405 122.111 118.700 0.011 0.000 2.521 151 N HA 0.066 4.806 4.740 0.001 0.000 0.236 151 N C 1.449 176.842 175.510 -0.196 0.000 1.067 151 N CA 0.400 53.399 53.050 -0.086 0.000 0.939 151 N CB 1.483 39.912 38.487 -0.098 0.000 1.201 151 N HN 0.822 9.202 8.380 0.000 0.000 0.511 152 T N 0.633 115.014 114.554 -0.288 0.000 2.803 152 T HA -0.180 4.171 4.350 0.001 0.000 0.269 152 T C 1.777 175.869 174.700 -1.014 0.000 1.052 152 T CA 1.224 62.904 62.100 -0.701 0.000 1.136 152 T CB -0.259 68.184 68.868 -0.708 0.000 0.864 152 T HN 0.347 8.587 8.240 0.000 0.000 0.467 153 A N 2.732 125.232 122.820 -0.533 0.000 1.940 153 A HA -0.178 4.143 4.320 0.001 0.000 0.219 153 A C 2.400 179.731 177.584 -0.422 0.000 1.176 153 A CA 1.800 53.614 52.037 -0.370 0.000 0.631 153 A CB -0.848 18.039 19.000 -0.188 0.000 0.814 153 A HN 0.552 8.702 8.150 0.000 0.000 0.446 154 N N -0.510 117.917 118.700 -0.454 0.000 2.166 154 N HA -0.146 4.595 4.740 0.001 0.000 0.186 154 N C 1.487 176.574 175.510 -0.704 0.000 1.019 154 N CA 1.827 54.576 53.050 -0.502 0.000 0.856 154 N CB -0.600 37.584 38.487 -0.506 0.000 0.993 154 N HN 0.774 9.154 8.380 0.000 0.000 0.426 155 H N -0.581 118.013 119.070 -0.792 0.000 2.333 155 H HA 0.064 4.620 4.556 0.001 0.000 0.302 155 H C 1.487 176.018 175.328 -1.328 0.000 1.075 155 H CA 1.106 56.468 56.048 -1.143 0.000 1.348 155 H CB -0.178 28.777 29.762 -1.344 0.000 1.393 155 H HN 0.121 8.401 8.280 0.000 0.000 0.509 156 F N 0.782 120.213 119.950 -0.865 0.000 2.171 156 F HA -0.118 4.409 4.527 0.001 0.000 0.300 156 F C 1.917 177.504 175.800 -0.355 0.000 1.090 156 F CA 0.984 58.613 58.000 -0.619 0.000 1.293 156 F CB -1.057 37.692 39.000 -0.418 0.000 1.013 156 F HN 0.227 8.527 8.300 0.000 0.000 0.486 157 N N 0.025 118.620 118.700 -0.175 0.000 2.142 157 N HA -0.102 4.639 4.740 0.001 0.000 0.186 157 N C 2.046 177.498 175.510 -0.096 0.000 1.023 157 N CA 0.949 53.928 53.050 -0.117 0.000 0.852 157 N CB -0.269 38.136 38.487 -0.138 0.000 0.998 157 N HN 0.219 8.599 8.380 0.000 0.000 0.424 158 A N 0.801 123.518 122.820 -0.172 0.000 1.898 158 A HA -0.128 4.192 4.320 0.001 0.000 0.216 158 A C 1.461 179.123 177.584 0.130 0.000 1.181 158 A CA 0.967 52.967 52.037 -0.061 0.000 0.620 158 A CB -0.711 18.219 19.000 -0.116 0.000 0.819 158 A HN 0.399 8.549 8.150 0.000 0.000 0.442 159 W N -0.291 121.010 121.300 0.003 0.000 2.402 159 W HA 0.044 4.705 4.660 0.002 0.000 0.286 159 W C 2.697 179.174 176.519 -0.070 0.000 1.221 159 W CA 0.461 57.796 57.345 -0.016 0.000 1.257 159 W CB -1.202 28.188 29.460 -0.117 0.000 1.120 159 W HN 0.439 8.619 8.180 0.000 0.000 0.551 160 A N 0.236 123.135 122.820 0.132 0.000 1.969 160 A HA -0.211 4.110 4.320 0.001 0.000 0.218 160 A C 1.929 179.539 177.584 0.043 0.000 1.169 160 A CA 1.515 53.580 52.037 0.046 0.000 0.635 160 A CB -0.732 18.274 19.000 0.009 0.000 0.810 160 A HN 0.398 8.548 8.150 0.000 0.000 0.445 161 Q N -0.813 119.017 119.800 0.050 0.000 2.297 161 Q HA -0.078 4.262 4.340 0.001 0.000 0.204 161 Q C 1.218 177.251 176.000 0.055 0.000 0.962 161 Q CA 0.898 56.724 55.803 0.038 0.000 0.879 161 Q CB 0.046 28.799 28.738 0.025 0.000 0.947 161 Q HN 0.552 8.822 8.270 0.000 0.000 0.462 162 Q N -1.126 118.731 119.800 0.094 0.000 2.280 162 Q HA 0.152 4.492 4.340 0.001 0.000 0.201 162 Q C 0.888 176.938 176.000 0.083 0.000 0.890 162 Q CA 0.718 56.580 55.803 0.099 0.000 0.947 162 Q CB 1.407 30.240 28.738 0.159 0.000 1.081 162 Q HN 0.499 8.769 8.270 0.000 0.000 0.502 163 G N 0.836 109.673 108.800 0.060 0.000 2.179 163 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 163 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 163 G C -0.260 174.652 174.900 0.019 0.000 0.990 163 G CA 0.024 45.147 45.100 0.038 0.000 0.646 163 G HN 0.299 8.589 8.290 0.000 0.000 0.517 164 L N 2.115 123.329 121.223 -0.016 0.000 2.290 164 L HA 0.779 5.119 4.340 0.001 0.000 0.284 164 L C 0.355 177.163 176.870 -0.103 0.000 1.078 164 L CA 0.402 55.148 54.840 -0.158 0.000 0.815 164 L CB 1.683 43.375 42.059 -0.612 0.000 1.162 164 L HN 0.127 8.357 8.230 0.000 0.000 0.435 165 T N 6.559 121.063 114.554 -0.083 0.000 3.053 165 T HA 0.418 4.768 4.350 0.001 0.000 0.363 165 T C 0.043 174.687 174.700 -0.094 0.000 1.239 165 T CA -0.545 61.513 62.100 -0.069 0.000 1.071 165 T CB -0.536 68.310 68.868 -0.036 0.000 1.089 165 T HN 0.528 8.768 8.240 0.000 0.000 0.527 166 L N 3.426 124.561 121.223 -0.147 0.000 2.499 166 L HA 0.355 4.695 4.340 0.001 0.000 0.281 166 L C 1.527 178.316 176.870 -0.136 0.000 1.234 166 L CA 0.204 54.934 54.840 -0.183 0.000 0.839 166 L CB 0.334 42.189 42.059 -0.340 0.000 1.104 166 L HN 0.720 8.950 8.230 0.000 0.000 0.500 167 G N 0.766 109.498 108.800 -0.114 0.000 2.930 167 G HA2 0.156 4.116 3.960 0.001 0.000 0.209 167 G HA3 0.156 4.116 3.960 0.001 0.000 0.209 167 G C -0.324 174.521 174.900 -0.093 0.000 2.018 167 G CA -0.104 44.945 45.100 -0.085 0.000 0.751 167 G HN 0.480 8.770 8.290 0.000 0.000 0.770 168 T N 3.275 117.783 114.554 -0.077 0.000 2.743 168 T HA 0.443 4.793 4.350 0.001 0.000 0.293 168 T C 0.143 174.793 174.700 -0.083 0.000 0.945 168 T CA -0.243 61.812 62.100 -0.075 0.000 1.030 168 T CB 0.925 69.755 68.868 -0.063 0.000 0.912 168 T HN 0.038 8.278 8.240 0.000 0.000 0.483 169 M N 3.530 123.078 119.600 -0.086 0.000 2.188 169 M HA 0.274 4.754 4.480 0.001 0.000 0.354 169 M C 0.508 176.770 176.300 -0.064 0.000 1.342 169 M CA -0.331 54.925 55.300 -0.074 0.000 1.117 169 M CB 0.338 32.897 32.600 -0.069 0.000 1.670 169 M HN 0.646 8.936 8.290 0.000 0.000 0.466 170 D N 1.893 122.241 120.400 -0.086 0.000 2.350 170 D HA 0.274 4.914 4.640 0.001 0.000 0.272 170 D C -0.568 175.670 176.300 -0.104 0.000 1.204 170 D CA -0.014 53.908 54.000 -0.130 0.000 1.124 170 D CB 0.412 41.081 40.800 -0.218 0.000 1.189 170 D HN 0.476 8.846 8.370 0.000 0.000 0.556 171 Y N -0.046 120.165 120.300 -0.149 0.000 2.385 171 Y HA 0.354 4.905 4.550 0.000 0.000 0.346 171 Y C -0.389 175.513 175.900 0.002 0.000 1.270 171 Y CA -0.634 57.369 58.100 -0.162 0.000 1.472 171 Y CB 0.214 38.493 38.460 -0.303 0.000 1.354 171 Y HN 0.193 8.473 8.280 0.000 0.000 0.611 172 Q N 4.001 124.043 119.800 0.403 0.000 2.374 172 Q HA 0.552 4.892 4.340 0.001 0.000 0.250 172 Q C -1.705 174.613 176.000 0.531 0.000 0.918 172 Q CA -0.543 55.487 55.803 0.379 0.000 0.778 172 Q CB 1.248 30.217 28.738 0.385 0.000 1.328 172 Q HN 0.900 9.170 8.270 0.000 0.000 0.445 173 I N -0.638 120.198 120.570 0.445 0.000 3.145 173 I HA 0.724 4.894 4.170 0.001 0.000 0.313 173 I C -1.029 175.278 176.117 0.316 0.000 1.122 173 I CA -1.317 60.218 61.300 0.391 0.000 0.987 173 I CB 2.166 40.350 38.000 0.307 0.000 1.236 173 I HN 0.186 8.396 8.210 0.000 0.000 0.453 174 V N 2.789 122.863 119.914 0.266 0.000 2.383 174 V HA 0.764 4.885 4.120 0.001 0.000 0.275 174 V C 0.388 176.608 176.094 0.209 0.000 1.036 174 V CA -0.110 62.322 62.300 0.219 0.000 0.889 174 V CB 0.829 32.792 31.823 0.234 0.000 0.985 174 V HN 0.909 9.099 8.190 0.000 0.000 0.459 175 A N 4.827 127.758 122.820 0.186 0.000 2.401 175 A HA 0.885 5.206 4.320 0.001 0.000 0.310 175 A C -1.011 176.669 177.584 0.160 0.000 1.075 175 A CA -0.593 51.525 52.037 0.135 0.000 0.746 175 A CB 2.009 21.053 19.000 0.073 0.000 1.277 175 A HN 0.564 8.714 8.150 0.000 0.000 0.425 176 V N 1.661 121.692 119.914 0.196 0.000 2.398 176 V HA 0.455 4.575 4.120 0.001 0.000 0.286 176 V C 0.040 176.024 176.094 -0.183 0.000 1.026 176 V CA -0.300 62.075 62.300 0.124 0.000 0.868 176 V CB 1.266 33.313 31.823 0.373 0.000 0.982 176 V HN 0.984 9.174 8.190 0.000 0.000 0.443 177 E N 2.755 122.651 120.200 -0.507 0.000 2.227 177 E HA 0.749 5.099 4.350 0.001 0.000 0.268 177 E C -0.277 175.669 176.600 -1.090 0.000 0.907 177 E CA -0.544 55.297 56.400 -0.932 0.000 0.786 177 E CB 2.151 31.197 29.700 -1.090 0.000 1.191 177 E HN 0.809 9.169 8.360 0.000 0.000 0.411 178 G N 1.854 109.669 108.800 -1.642 0.000 2.571 178 G HA2 0.430 4.390 3.960 0.001 0.000 0.304 178 G HA3 0.430 4.390 3.960 0.001 0.000 0.304 178 G C -2.107 172.539 174.900 -0.424 0.000 1.314 178 G CA -0.439 44.046 45.100 -1.025 0.000 0.975 178 G HN 0.433 8.723 8.290 0.000 0.000 0.485 179 Y N 1.743 121.963 120.300 -0.133 0.000 2.535 179 Y HA 0.421 4.972 4.550 0.001 0.000 0.341 179 Y C -0.157 175.871 175.900 0.215 0.000 1.041 179 Y CA -1.884 56.231 58.100 0.025 0.000 1.307 179 Y CB 0.197 38.728 38.460 0.119 0.000 1.095 179 Y HN 0.622 8.902 8.280 0.000 0.000 0.534 180 F N 2.197 121.990 119.950 -0.262 0.000 2.866 180 F HA -0.292 4.236 4.527 0.001 0.000 0.254 180 F C 0.511 176.315 175.800 0.007 0.000 1.009 180 F CA 1.296 59.155 58.000 -0.235 0.000 0.907 180 F CB -1.570 37.178 39.000 -0.421 0.000 0.859 180 F HN 0.428 8.728 8.300 0.000 0.000 0.842 181 S N -2.644 113.215 115.700 0.266 0.000 3.144 181 S HA 0.930 5.400 4.470 0.001 0.000 0.325 181 S C -0.217 174.607 174.600 0.373 0.000 1.161 181 S CA -0.304 58.095 58.200 0.331 0.000 0.920 181 S CB 2.585 66.033 63.200 0.413 0.000 1.340 181 S HN 0.135 8.445 8.310 0.000 0.000 0.681 182 S N -1.444 114.314 115.700 0.097 0.000 2.661 182 S HA 1.010 5.481 4.470 0.001 0.000 0.285 182 S C -0.148 173.760 174.600 -1.154 0.000 1.138 182 S CA -0.183 57.739 58.200 -0.463 0.000 0.855 182 S CB 1.400 64.453 63.200 -0.244 0.000 1.136 182 S HN 1.760 10.069 8.310 0.000 0.000 0.484 183 G N 0.631 108.427 108.800 -1.675 0.000 2.341 183 G HA2 0.476 4.436 3.960 0.001 0.000 0.293 183 G HA3 0.476 4.436 3.960 0.001 0.000 0.293 183 G C -1.469 172.581 174.900 -1.417 0.000 1.298 183 G CA -0.027 44.097 45.100 -1.627 0.000 0.868 183 G HN 1.453 9.743 8.290 0.000 0.000 0.540 184 S N -1.473 113.765 115.700 -0.770 0.000 2.550 184 S HA 1.019 5.489 4.470 0.001 0.000 0.270 184 S C -0.539 174.140 174.600 0.133 0.000 1.145 184 S CA 0.305 58.409 58.200 -0.160 0.000 0.852 184 S CB 1.711 64.831 63.200 -0.134 0.000 1.119 184 S HN 2.625 10.935 8.310 0.000 0.000 0.465 185 A N 0.689 123.675 122.820 0.278 0.000 2.589 185 A HA 0.868 5.189 4.320 0.001 0.000 0.296 185 A C -0.796 176.822 177.584 0.056 0.000 1.062 185 A CA -0.533 51.661 52.037 0.262 0.000 0.686 185 A CB 1.619 20.923 19.000 0.507 0.000 1.282 185 A HN 1.481 9.631 8.150 0.000 0.000 0.404 186 S N 1.971 117.649 115.700 -0.037 0.000 2.775 186 S HA 0.621 5.092 4.470 0.001 0.000 0.277 186 S C -1.136 173.330 174.600 -0.224 0.000 1.156 186 S CA -0.477 57.619 58.200 -0.173 0.000 1.081 186 S CB -0.050 63.091 63.200 -0.098 0.000 1.054 186 S HN 0.555 8.865 8.310 0.000 0.000 0.482 187 I N 3.675 123.936 120.570 -0.515 0.000 2.509 187 I HA 0.451 4.621 4.170 0.001 0.000 0.293 187 I C 0.014 175.938 176.117 -0.321 0.000 1.020 187 I CA -0.505 60.554 61.300 -0.402 0.000 1.088 187 I CB 1.917 39.605 38.000 -0.520 0.000 1.267 187 I HN 0.447 8.657 8.210 0.000 0.000 0.430 188 T N 5.077 119.583 114.554 -0.081 0.000 2.786 188 T HA 0.548 4.899 4.350 0.001 0.000 0.283 188 T C -0.066 174.664 174.700 0.051 0.000 0.992 188 T CA -0.409 61.667 62.100 -0.039 0.000 0.954 188 T CB 1.858 70.704 68.868 -0.038 0.000 0.934 188 T HN 0.225 8.465 8.240 0.000 0.000 0.440 189 V N 3.544 123.454 119.914 -0.006 0.000 2.612 189 V HA 0.862 4.982 4.120 0.001 0.000 0.301 189 V C 0.281 176.341 176.094 -0.056 0.000 1.046 189 V CA -0.518 61.810 62.300 0.048 0.000 0.946 189 V CB 1.601 33.415 31.823 -0.015 0.000 1.003 189 V HN 1.115 9.305 8.190 0.000 0.000 0.459 190 S N 0.000 115.843 115.700 0.238 0.000 2.498 190 S HA 0.000 4.470 4.470 0.001 0.000 0.327 190 S CA 0.000 58.425 58.200 0.376 0.000 1.107 190 S CB 0.000 63.346 63.200 0.243 0.000 0.593 190 S HN 0.000 8.310 8.310 0.000 0.000 0.517