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 2k6w_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSFTEGWVRF SPGPNAAAYL TLENPGDLPL RLVGARTPVA ERVELHETFM DATA SEQUENCE REVEGKKVMG MRPVPFLEVP PKGRVELKPG GYHFMLLGLK RPLKAGEEVE DATA SEQUENCE LDLLFAGGKV LKVVLPVEAR 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.868 3.960 -0.153 0.000 0.244 1 G C 0.000 174.483 174.900 -0.694 0.000 0.946 1 G CA 0.000 44.927 45.100 -0.289 0.000 0.502 2 S N 0.352 115.050 115.700 -1.669 0.000 3.344 2 S HA -0.307 2.880 4.470 -2.138 0.000 0.857 2 S C -0.582 173.719 174.600 -0.498 0.000 1.135 2 S CA 0.491 57.889 58.200 -1.337 0.000 1.051 2 S CB 0.300 63.183 63.200 -0.529 0.000 0.755 2 S HN -0.174 6.658 8.310 -2.464 0.000 0.268 3 F N -0.987 118.987 119.950 0.040 0.000 2.572 3 F HA -0.321 4.237 4.527 0.052 0.000 0.282 3 F C -1.745 174.089 175.800 0.056 0.000 1.047 3 F CA 0.596 58.624 58.000 0.047 0.000 1.022 3 F CB -1.726 37.298 39.000 0.041 0.000 1.226 3 F HN 0.283 8.685 8.300 0.170 0.000 0.827 4 T N 1.070 115.686 114.554 0.103 0.000 2.809 4 T HA 0.259 4.677 4.350 0.113 0.000 0.284 4 T C -1.128 173.655 174.700 0.139 0.000 0.992 4 T CA -0.563 61.594 62.100 0.095 0.000 0.957 4 T CB 1.505 70.397 68.868 0.039 0.000 0.942 4 T HN -0.091 8.217 8.240 0.112 0.000 0.439 5 E N 3.492 123.795 120.200 0.171 0.000 2.359 5 E HA 0.278 4.731 4.350 0.173 0.000 0.223 5 E C -2.097 174.644 176.600 0.235 0.000 0.877 5 E CA -1.223 55.293 56.400 0.193 0.000 0.887 5 E CB 2.925 32.745 29.700 0.200 0.000 1.890 5 E HN 0.063 8.530 8.360 0.177 0.000 0.419 6 G N -2.020 106.946 108.800 0.277 0.000 2.606 6 G HA2 0.428 4.692 3.960 0.507 0.000 0.300 6 G HA3 0.428 4.725 3.960 0.246 -0.189 0.300 6 G C -2.718 172.474 174.900 0.486 0.000 1.360 6 G CA -0.004 45.317 45.100 0.369 0.000 0.783 6 G HN 0.110 8.549 8.290 0.249 0.000 0.484 7 W N -3.944 117.485 121.300 0.215 0.000 2.819 7 W HA 0.678 5.622 4.660 0.150 -0.194 0.337 7 W C -1.566 175.089 176.519 0.226 0.000 1.077 7 W CA -2.867 54.601 57.345 0.204 0.000 1.226 7 W CB 2.351 31.927 29.460 0.193 0.000 1.419 7 W HN -0.502 7.844 8.180 0.278 0.000 0.502 8 V N 3.404 123.454 119.914 0.227 0.000 2.583 8 V HA -0.021 4.152 4.120 -0.071 -0.095 0.287 8 V C -0.774 175.458 176.094 0.231 0.000 1.051 8 V CA 0.157 62.511 62.300 0.090 0.000 1.010 8 V CB 0.973 32.830 31.823 0.057 0.000 0.988 8 V HN 0.850 9.211 8.190 0.284 0.000 0.478 9 R N 6.333 126.921 120.500 0.147 0.000 2.248 9 R HA 0.178 5.036 4.340 0.600 -0.158 0.328 9 R C 0.203 176.644 176.300 0.235 0.000 1.067 9 R CA -1.270 55.021 56.100 0.318 0.000 0.924 9 R CB 1.012 31.459 30.300 0.245 0.000 1.013 9 R HN 0.458 8.597 8.270 -0.035 0.110 0.454 10 F N 10.419 130.482 119.950 0.188 0.000 2.612 10 F HA -0.257 4.388 4.527 0.090 -0.064 0.389 10 F C -1.055 174.800 175.800 0.092 0.000 1.055 10 F CA 1.825 59.894 58.000 0.115 0.000 1.232 10 F CB 0.279 39.339 39.000 0.100 0.000 1.044 10 F HN 0.284 8.803 8.300 0.538 0.103 0.560 11 S N 7.027 122.208 115.700 -0.865 0.000 2.467 11 S HA 0.136 4.069 4.470 -0.894 0.000 0.320 11 S C -2.531 171.792 174.600 -0.462 0.000 0.940 11 S CA -0.229 57.564 58.200 -0.678 0.000 0.896 11 S CB 1.743 64.780 63.200 -0.271 0.000 1.172 11 S HN -0.078 7.761 8.310 -0.615 0.102 0.450 12 P HA 0.166 4.489 4.420 -0.161 0.000 0.226 12 P C -1.061 176.159 177.300 -0.134 0.000 1.758 12 P CA -0.616 62.362 63.100 -0.204 0.000 0.896 12 P CB -1.312 30.304 31.700 -0.141 0.000 1.784 13 G N 1.452 110.173 108.800 -0.132 0.000 2.642 13 G HA2 0.342 4.261 3.960 -0.068 0.000 0.291 13 G HA3 0.342 4.252 3.960 -0.084 0.000 0.291 13 G C -1.309 173.555 174.900 -0.060 0.000 1.345 13 G CA -1.968 43.081 45.100 -0.084 0.000 1.043 13 G HN -0.677 7.436 8.290 -0.158 0.082 0.528 14 P HA 0.015 4.416 4.420 -0.031 0.000 0.229 14 P C -1.689 175.590 177.300 -0.036 0.000 1.160 14 P CA 0.816 63.896 63.100 -0.033 0.000 0.777 14 P CB 0.564 32.251 31.700 -0.021 0.000 0.814 15 N N -4.183 114.491 118.700 -0.043 0.000 2.825 15 N HA 0.497 5.331 4.740 -0.048 -0.123 0.253 15 N C -2.188 173.286 175.510 -0.060 0.000 1.426 15 N CA -1.495 51.527 53.050 -0.046 0.000 0.851 15 N CB 2.651 41.119 38.487 -0.033 0.000 1.470 15 N HN -0.635 7.675 8.380 -0.047 0.042 0.517 16 A N -3.251 119.532 122.820 -0.063 0.000 3.201 16 A HA 0.445 4.731 4.320 -0.057 0.000 0.303 16 A C -2.878 174.651 177.584 -0.092 0.000 1.173 16 A CA -0.591 51.405 52.037 -0.068 0.000 0.621 16 A CB 2.089 21.047 19.000 -0.071 0.000 1.468 16 A HN 0.562 8.675 8.150 -0.062 0.000 0.632 17 A N -3.046 119.690 122.820 -0.140 0.000 2.593 17 A HA 1.015 5.384 4.320 -0.197 -0.167 0.290 17 A C -2.454 174.894 177.584 -0.392 0.000 1.126 17 A CA -1.318 50.542 52.037 -0.295 0.000 0.695 17 A CB 3.807 22.520 19.000 -0.478 0.000 1.290 17 A HN 0.238 8.324 8.150 -0.107 0.000 0.414 18 A N -1.200 121.336 122.820 -0.475 0.000 2.374 18 A HA 0.748 4.916 4.320 -0.464 -0.127 0.305 18 A C -2.411 174.809 177.584 -0.608 0.000 1.053 18 A CA -1.204 50.578 52.037 -0.425 0.000 0.726 18 A CB 2.999 21.947 19.000 -0.086 0.000 1.229 18 A HN 0.340 8.259 8.150 -0.385 0.000 0.431 19 Y N 0.739 120.856 120.300 -0.306 0.000 2.485 19 Y HA 0.556 5.045 4.550 -0.239 -0.083 0.345 19 Y C -0.644 175.135 175.900 -0.200 0.000 0.998 19 Y CA -1.498 56.352 58.100 -0.416 0.000 1.059 19 Y CB 3.333 41.102 38.460 -1.151 0.000 1.234 19 Y HN 0.500 8.487 8.280 -0.489 0.000 0.461 20 L N -5.895 115.380 121.223 0.086 0.000 2.724 20 L HA 0.585 5.169 4.340 0.167 -0.143 0.258 20 L C -1.661 175.292 176.870 0.140 0.000 0.967 20 L CA -0.519 54.404 54.840 0.138 0.000 0.891 20 L CB 3.538 45.690 42.059 0.156 0.000 1.456 20 L HN 0.137 8.420 8.230 0.088 0.000 0.416 21 T N 3.260 117.905 114.554 0.151 0.000 2.919 21 T HA 0.067 4.490 4.350 0.122 0.000 0.302 21 T C -1.143 173.635 174.700 0.130 0.000 1.031 21 T CA 1.989 64.167 62.100 0.131 0.000 1.127 21 T CB 0.539 69.481 68.868 0.123 0.000 0.952 21 T HN 0.148 8.356 8.240 0.169 0.134 0.540 22 L N 4.385 125.680 121.223 0.120 0.000 2.464 22 L HA 0.450 4.873 4.340 0.139 0.000 0.266 22 L C -3.082 173.849 176.870 0.102 0.000 0.965 22 L CA -1.051 53.870 54.840 0.135 0.000 0.833 22 L CB 3.197 45.364 42.059 0.180 0.000 1.296 22 L HN 0.714 9.008 8.230 0.106 0.000 0.405 23 E N 2.153 122.402 120.200 0.082 0.000 2.331 23 E HA 0.324 4.802 4.350 0.045 -0.100 0.275 23 E C -2.261 174.348 176.600 0.016 0.000 0.895 23 E CA -2.203 54.224 56.400 0.045 0.000 0.753 23 E CB 3.696 33.415 29.700 0.033 0.000 1.216 23 E HN -0.187 8.227 8.360 0.090 0.000 0.434 24 N N 2.761 121.457 118.700 -0.007 0.000 2.457 24 N HA 0.365 5.059 4.740 -0.077 0.000 0.250 24 N C -1.183 174.303 175.510 -0.040 0.000 0.982 24 N CA -3.676 49.346 53.050 -0.046 0.000 0.941 24 N CB 0.621 39.077 38.487 -0.052 0.000 1.120 24 N HN 0.433 8.814 8.380 0.003 0.000 0.505 25 P HA 0.061 4.466 4.420 -0.025 0.000 0.240 25 P C 0.076 177.351 177.300 -0.041 0.000 1.190 25 P CA 0.050 63.129 63.100 -0.035 0.000 0.781 25 P CB 0.599 32.281 31.700 -0.029 0.000 0.931 26 G N 0.350 109.115 108.800 -0.057 0.000 2.599 26 G HA2 -0.061 3.870 3.960 -0.048 0.000 0.264 26 G HA3 -0.061 3.856 3.960 -0.072 0.000 0.264 26 G C -1.568 173.306 174.900 -0.044 0.000 1.200 26 G CA -0.794 44.272 45.100 -0.056 0.000 0.896 26 G HN -0.355 8.137 8.290 -0.074 -0.246 0.536 27 D N -2.003 118.374 120.400 -0.039 0.000 2.349 27 D HA -0.002 4.622 4.640 -0.026 0.000 0.214 27 D C -0.745 175.536 176.300 -0.031 0.000 1.063 27 D CA 1.384 55.366 54.000 -0.030 0.000 0.847 27 D CB 0.183 40.968 40.800 -0.025 0.000 0.933 27 D HN 0.245 8.592 8.370 -0.040 0.000 0.513 28 L N -5.413 115.786 121.223 -0.040 0.000 2.319 28 L HA 0.589 4.909 4.340 -0.033 0.000 0.267 28 L C -2.576 174.264 176.870 -0.050 0.000 1.011 28 L CA -3.697 51.119 54.840 -0.041 0.000 0.818 28 L CB 1.277 43.311 42.059 -0.041 0.000 1.316 28 L HN -0.967 7.173 8.230 -0.048 0.061 0.432 29 P HA 0.110 4.558 4.420 -0.038 -0.051 0.276 29 P C -1.344 175.922 177.300 -0.056 0.000 1.244 29 P CA -0.720 62.355 63.100 -0.041 0.000 0.801 29 P CB 1.180 32.862 31.700 -0.029 0.000 1.006 30 L N -0.826 120.370 121.223 -0.044 0.000 2.344 30 L HA 0.350 4.654 4.340 -0.060 0.000 0.272 30 L C -0.762 176.154 176.870 0.077 0.000 1.035 30 L CA -1.078 53.752 54.840 -0.018 0.000 0.807 30 L CB 2.301 44.320 42.059 -0.067 0.000 1.237 30 L HN 0.638 8.855 8.230 -0.023 0.000 0.442 31 R N 1.841 122.442 120.500 0.169 0.000 2.507 31 R HA 0.229 4.734 4.340 0.077 -0.119 0.298 31 R C -2.063 174.358 176.300 0.202 0.000 1.087 31 R CA -0.987 55.167 56.100 0.090 0.000 0.917 31 R CB 2.264 32.468 30.300 -0.160 0.000 1.173 31 R HN 0.320 8.757 8.270 0.277 0.000 0.472 32 L N 8.199 129.505 121.223 0.138 0.000 2.295 32 L HA 0.459 4.635 4.340 -0.541 -0.160 0.288 32 L C -1.125 175.727 176.870 -0.030 0.000 1.079 32 L CA -0.667 54.089 54.840 -0.140 0.000 0.830 32 L CB 0.956 42.948 42.059 -0.111 0.000 1.200 32 L HN 0.759 8.960 8.230 0.142 0.114 0.438 33 V N 0.667 120.546 119.914 -0.059 0.000 3.590 33 V HA 0.560 4.776 4.120 0.160 0.000 0.265 33 V C -0.201 175.928 176.094 0.058 0.000 1.239 33 V CA -0.967 61.366 62.300 0.055 0.000 1.117 33 V CB 0.927 32.773 31.823 0.040 0.000 0.818 33 V HN 0.706 8.675 8.190 -0.190 0.106 0.451 34 G N -2.238 106.579 108.800 0.027 0.000 2.341 34 G HA2 0.039 4.197 3.960 0.330 0.000 0.299 34 G HA3 0.039 4.021 3.960 0.035 0.000 0.299 34 G C -3.371 171.517 174.900 -0.020 0.000 1.274 34 G CA 0.344 45.514 45.100 0.116 0.000 0.853 34 G HN -0.818 7.419 8.290 -0.088 0.000 0.493 35 A N -2.420 120.203 122.820 -0.329 0.000 2.529 35 A HA 0.858 5.137 4.320 -0.354 -0.171 0.296 35 A C -2.519 174.801 177.584 -0.440 0.000 1.205 35 A CA -0.766 50.930 52.037 -0.569 0.000 0.671 35 A CB 3.615 21.936 19.000 -1.131 0.000 1.301 35 A HN 0.063 8.062 8.150 -0.251 0.000 0.450 36 R N -1.726 118.562 120.500 -0.354 0.000 2.561 36 R HA 0.225 4.434 4.340 -0.218 0.000 0.266 36 R C -2.345 173.845 176.300 -0.183 0.000 1.091 36 R CA -0.441 55.526 56.100 -0.222 0.000 0.927 36 R CB 3.271 33.484 30.300 -0.145 0.000 1.240 36 R HN -0.010 7.973 8.270 -0.336 0.086 0.449 37 T N 4.958 119.425 114.554 -0.145 0.000 2.864 37 T HA 0.716 5.138 4.350 -0.097 -0.130 0.299 37 T C -0.981 173.675 174.700 -0.074 0.000 1.166 37 T CA -3.567 58.468 62.100 -0.109 0.000 1.007 37 T CB 2.198 70.992 68.868 -0.125 0.000 1.219 37 T HN 0.520 8.678 8.240 -0.137 0.000 0.506 38 P HA 0.091 4.488 4.420 -0.037 0.000 0.222 38 P C 0.187 177.465 177.300 -0.037 0.000 1.153 38 P CA 1.545 64.623 63.100 -0.038 0.000 0.798 38 P CB 0.342 32.027 31.700 -0.025 0.000 0.796 39 V N -6.137 113.753 119.914 -0.040 0.000 3.573 39 V HA 0.043 4.148 4.120 -0.025 0.000 0.270 39 V C -1.170 174.899 176.094 -0.042 0.000 1.221 39 V CA -0.012 62.268 62.300 -0.034 0.000 1.163 39 V CB 0.090 31.898 31.823 -0.025 0.000 0.847 39 V HN -0.630 7.533 8.190 -0.045 0.000 0.468 40 A N -3.115 119.673 122.820 -0.053 0.000 2.610 40 A HA 0.329 4.792 4.320 -0.045 -0.171 0.291 40 A C -1.865 175.686 177.584 -0.054 0.000 1.086 40 A CA -0.788 51.216 52.037 -0.055 0.000 0.677 40 A CB 2.627 21.587 19.000 -0.067 0.000 1.278 40 A HN -1.036 7.005 8.150 -0.057 0.076 0.414 41 E N 0.397 120.570 120.200 -0.045 0.000 2.068 41 E HA 0.022 4.348 4.350 -0.040 0.000 0.201 41 E C 0.733 177.309 176.600 -0.040 0.000 0.947 41 E CA 0.316 56.693 56.400 -0.039 0.000 0.909 41 E CB 1.634 31.317 29.700 -0.028 0.000 1.015 41 E HN 0.090 8.425 8.360 -0.042 0.000 0.484 42 R N 1.945 122.426 120.500 -0.031 0.000 2.272 42 R HA 0.058 4.384 4.340 -0.023 0.000 0.334 42 R C -0.971 175.309 176.300 -0.033 0.000 1.117 42 R CA -0.317 55.769 56.100 -0.024 0.000 0.966 42 R CB -0.152 30.144 30.300 -0.007 0.000 1.049 42 R HN -0.243 8.010 8.270 -0.028 0.000 0.477 43 V N 7.188 127.074 119.914 -0.047 0.000 2.583 43 V HA 0.462 4.759 4.120 -0.056 -0.211 0.287 43 V C -0.749 175.352 176.094 0.012 0.000 1.051 43 V CA -0.897 61.371 62.300 -0.053 0.000 1.010 43 V CB 1.110 32.849 31.823 -0.139 0.000 0.988 43 V HN -0.224 7.935 8.190 -0.052 0.000 0.478 44 E N 7.097 127.333 120.200 0.061 0.000 2.290 44 E HA 0.299 4.728 4.350 0.132 0.000 0.274 44 E C -2.046 174.666 176.600 0.187 0.000 0.889 44 E CA -1.901 54.575 56.400 0.126 0.000 0.760 44 E CB 3.936 33.722 29.700 0.144 0.000 1.206 44 E HN 0.269 8.650 8.360 0.035 0.000 0.419 45 L N 5.774 127.123 121.223 0.209 0.000 2.313 45 L HA 0.305 4.686 4.340 -0.213 -0.169 0.282 45 L C -1.465 175.441 176.870 0.059 0.000 1.092 45 L CA -0.278 54.554 54.840 -0.012 0.000 0.831 45 L CB 1.005 43.013 42.059 -0.085 0.000 1.159 45 L HN 0.669 9.018 8.230 0.199 0.000 0.442 46 H N 5.721 124.577 119.070 -0.357 0.000 2.573 46 H HA 0.651 5.248 4.556 -0.173 -0.145 0.351 46 H C -0.354 174.839 175.328 -0.224 0.000 1.163 46 H CA -1.916 53.929 56.048 -0.339 0.000 1.205 46 H CB 3.432 32.865 29.762 -0.548 0.000 1.605 46 H HN 1.135 9.091 8.280 -0.363 0.106 0.525 47 E N 0.313 120.539 120.200 0.043 0.000 2.312 47 E HA 0.360 4.804 4.350 -0.054 -0.126 0.259 47 E C -0.414 176.218 176.600 0.054 0.000 1.122 47 E CA -1.037 55.381 56.400 0.029 0.000 0.922 47 E CB 1.411 31.162 29.700 0.087 0.000 1.109 47 E HN 0.883 9.138 8.360 0.000 0.105 0.442 48 T N 1.014 115.540 114.554 -0.047 0.000 3.071 48 T HA 0.834 5.350 4.350 -0.043 -0.192 0.311 48 T C -1.811 172.855 174.700 -0.058 0.000 1.042 48 T CA 0.058 62.141 62.100 -0.028 0.000 1.028 48 T CB 2.384 71.261 68.868 0.015 0.000 1.068 48 T HN 0.292 8.270 8.240 -0.321 0.068 0.451 49 F N 2.145 122.043 119.950 -0.088 0.000 2.643 49 F HA 0.653 5.112 4.527 -0.114 0.000 0.314 49 F C -2.696 173.074 175.800 -0.050 0.000 1.096 49 F CA -2.178 55.770 58.000 -0.086 0.000 0.953 49 F CB 3.356 42.310 39.000 -0.077 0.000 1.345 49 F HN 0.754 8.644 8.300 -0.683 0.000 0.468 50 M N -1.005 118.746 119.600 0.253 0.000 2.364 50 M HA 0.808 5.575 4.480 0.181 -0.178 0.334 50 M C -0.913 175.562 176.300 0.290 0.000 1.107 50 M CA -0.573 54.860 55.300 0.220 0.000 0.988 50 M CB 2.995 35.647 32.600 0.086 0.000 1.673 50 M HN 0.066 8.501 8.290 0.242 0.000 0.441 51 R N 0.491 121.156 120.500 0.275 0.000 2.739 51 R HA 0.382 4.766 4.340 0.073 0.000 0.271 51 R C -1.755 174.603 176.300 0.096 0.000 1.010 51 R CA -1.215 54.965 56.100 0.134 0.000 0.897 51 R CB 4.722 35.056 30.300 0.056 0.000 1.236 51 R HN 0.810 9.243 8.270 0.271 0.000 0.466 52 E N 1.366 121.594 120.200 0.047 0.000 2.283 52 E HA 0.592 5.154 4.350 0.041 -0.188 0.271 52 E C -0.302 176.315 176.600 0.029 0.000 1.031 52 E CA -0.055 56.366 56.400 0.035 0.000 0.868 52 E CB 0.992 30.704 29.700 0.020 0.000 1.094 52 E HN 0.224 8.600 8.360 0.027 0.000 0.401 53 V N 3.425 123.355 119.914 0.027 0.000 5.243 53 V HA 0.093 4.224 4.120 0.017 0.000 0.129 53 V C 0.893 176.995 176.094 0.014 0.000 0.924 53 V CA 0.429 62.742 62.300 0.022 0.000 1.377 53 V CB 1.313 33.155 31.823 0.032 0.000 2.235 53 V HN 0.793 8.999 8.190 0.027 0.000 0.454 54 E N 2.640 122.849 120.200 0.014 0.000 2.705 54 E HA -0.161 4.194 4.350 0.008 0.000 0.272 54 E C 0.269 176.874 176.600 0.009 0.000 1.528 54 E CA -0.209 56.197 56.400 0.010 0.000 1.750 54 E CB -1.516 28.190 29.700 0.010 0.000 1.439 54 E HN 0.311 8.682 8.360 0.017 0.000 0.449 55 G N -1.063 107.742 108.800 0.009 0.000 2.228 55 G HA2 -0.431 3.533 3.960 0.007 0.000 0.270 55 G HA3 -0.431 3.533 3.960 0.007 0.000 0.270 55 G C -1.142 173.764 174.900 0.010 0.000 0.976 55 G CA 0.826 45.931 45.100 0.008 0.000 0.636 55 G HN -0.127 8.080 8.290 0.009 0.088 0.542 56 K N 0.218 120.626 120.400 0.013 0.000 2.156 56 K HA 0.170 4.498 4.320 0.012 0.000 0.254 56 K C -0.881 175.731 176.600 0.021 0.000 0.950 56 K CA -1.444 54.852 56.287 0.014 0.000 0.849 56 K CB 1.583 34.091 32.500 0.012 0.000 1.100 56 K HN -0.298 7.922 8.250 0.013 0.038 0.434 57 K N 2.457 122.870 120.400 0.021 0.000 2.298 57 K HA 0.118 4.756 4.320 0.039 -0.295 0.280 57 K C -0.334 176.284 176.600 0.030 0.000 1.032 57 K CA 0.588 56.892 56.287 0.029 0.000 0.958 57 K CB 0.476 32.990 32.500 0.023 0.000 0.978 57 K HN 0.213 8.472 8.250 0.016 0.000 0.472 58 V N 4.105 124.049 119.914 0.049 0.000 3.007 58 V HA 0.385 4.513 4.120 0.013 0.000 0.311 58 V C -1.874 174.240 176.094 0.033 0.000 1.120 58 V CA -1.584 60.740 62.300 0.040 0.000 0.980 58 V CB 4.179 36.039 31.823 0.061 0.000 1.033 58 V HN 0.825 8.952 8.190 0.073 0.107 0.429 59 M N 2.758 122.317 119.600 -0.069 0.000 2.530 59 M HA 0.882 5.362 4.480 -0.288 -0.173 0.307 59 M C -0.889 175.149 176.300 -0.437 0.000 1.161 59 M CA -0.929 54.222 55.300 -0.248 0.000 0.903 59 M CB 3.785 36.277 32.600 -0.180 0.000 1.711 59 M HN 0.160 8.412 8.290 -0.063 0.000 0.451 60 G N 0.204 108.400 108.800 -1.006 0.000 2.554 60 G HA2 0.372 4.074 3.960 -0.430 0.000 0.306 60 G HA3 0.372 3.922 3.960 -0.683 0.000 0.306 60 G C -3.578 170.703 174.900 -1.031 0.000 1.320 60 G CA 0.304 44.884 45.100 -0.867 0.000 0.800 60 G HN -0.046 7.358 8.290 -1.476 0.000 0.481 61 M N -1.944 117.469 119.600 -0.311 0.000 2.761 61 M HA 0.891 5.566 4.480 0.059 -0.160 0.305 61 M C -0.671 175.746 176.300 0.194 0.000 1.235 61 M CA -1.627 53.706 55.300 0.055 0.000 0.850 61 M CB 4.600 37.343 32.600 0.239 0.000 1.744 61 M HN 0.029 8.225 8.290 -0.157 0.000 0.480 62 R N -1.649 118.865 120.500 0.022 0.000 2.979 62 R HA 0.409 4.588 4.340 -0.269 0.000 0.245 62 R C -2.891 173.060 176.300 -0.582 0.000 1.104 62 R CA -1.843 54.126 56.100 -0.219 0.000 1.056 62 R CB 3.347 33.657 30.300 0.016 0.000 1.265 62 R HN 0.162 8.457 8.270 0.042 0.000 0.470 63 P HA 0.238 4.651 4.420 -0.290 -0.167 0.271 63 P C -0.855 176.333 177.300 -0.186 0.000 1.216 63 P CA -0.379 62.459 63.100 -0.438 0.000 0.776 63 P CB 0.451 32.018 31.700 -0.222 0.000 0.881 64 V N -0.411 119.442 119.914 -0.101 0.000 3.046 64 V HA 0.551 4.580 4.120 -0.153 0.000 0.316 64 V C -1.076 174.953 176.094 -0.108 0.000 1.104 64 V CA -4.512 57.711 62.300 -0.129 0.000 1.006 64 V CB 1.989 33.727 31.823 -0.140 0.000 1.058 64 V HN 0.264 8.430 8.190 -0.040 0.000 0.440 65 P HA 0.076 4.509 4.420 0.022 0.000 0.225 65 P C -1.738 175.623 177.300 0.102 0.000 1.156 65 P CA 1.006 64.077 63.100 -0.049 0.000 0.787 65 P CB 0.432 32.104 31.700 -0.048 0.000 0.802 66 F N -8.793 111.137 119.950 -0.032 0.000 2.878 66 F HA 0.359 4.962 4.527 -0.051 -0.106 0.322 66 F C -2.671 173.068 175.800 -0.102 0.000 1.154 66 F CA -1.515 56.453 58.000 -0.053 0.000 0.896 66 F CB 1.031 40.010 39.000 -0.035 0.000 1.313 66 F HN -0.806 7.231 8.300 -0.382 0.034 0.451 67 L N -0.736 120.584 121.223 0.162 0.000 2.271 67 L HA 0.616 4.921 4.340 -0.059 0.000 0.265 67 L C -1.566 175.417 176.870 0.189 0.000 1.013 67 L CA -1.156 53.701 54.840 0.029 0.000 0.820 67 L CB 4.485 46.425 42.059 -0.197 0.000 1.352 67 L HN 0.717 8.963 8.230 0.214 0.112 0.443 68 E N -1.258 118.993 120.200 0.085 0.000 2.437 68 E HA 0.214 4.701 4.350 0.107 -0.073 0.280 68 E C -1.990 174.637 176.600 0.044 0.000 1.044 68 E CA -1.204 55.247 56.400 0.085 0.000 0.826 68 E CB 3.579 33.326 29.700 0.079 0.000 1.358 68 E HN 0.011 8.354 8.360 -0.029 0.000 0.459 69 V N -2.940 117.002 119.914 0.046 0.000 2.777 69 V HA 0.498 4.633 4.120 0.024 0.000 0.306 69 V C -2.565 173.536 176.094 0.012 0.000 1.112 69 V CA -3.383 58.936 62.300 0.031 0.000 0.917 69 V CB 3.827 35.678 31.823 0.048 0.000 1.018 69 V HN 0.696 8.815 8.190 0.048 0.100 0.426 70 P HA 0.282 4.698 4.420 -0.006 0.000 0.274 70 P C -2.163 175.130 177.300 -0.011 0.000 1.256 70 P CA -1.735 61.363 63.100 -0.003 0.000 0.795 70 P CB -0.626 31.075 31.700 0.002 0.000 1.038 71 P HA -0.257 4.191 4.420 -0.034 -0.048 0.268 71 P C -0.685 176.605 177.300 -0.017 0.000 1.204 71 P CA 0.873 63.959 63.100 -0.024 0.000 0.768 71 P CB -0.066 31.619 31.700 -0.025 0.000 0.842 72 K N -5.403 114.986 120.400 -0.019 0.000 3.529 72 K HA -0.374 4.038 4.320 -0.016 -0.102 0.313 72 K C -0.151 176.446 176.600 -0.006 0.000 1.316 72 K CA 1.240 57.519 56.287 -0.013 0.000 0.988 72 K CB -2.738 29.755 32.500 -0.011 0.000 1.252 72 K HN 0.113 8.347 8.250 -0.027 0.000 0.438 73 G N -0.350 108.448 108.800 -0.003 0.000 2.525 73 G HA2 0.037 4.002 3.960 0.007 0.000 0.287 73 G HA3 0.037 4.002 3.960 0.008 0.000 0.287 73 G C -2.373 172.535 174.900 0.014 0.000 1.350 73 G CA -1.319 43.785 45.100 0.007 0.000 1.039 73 G HN -0.548 7.629 8.290 -0.007 0.109 0.513 74 R N -0.784 119.731 120.500 0.024 0.000 2.643 74 R HA 0.702 5.225 4.340 0.043 -0.157 0.269 74 R C -1.631 174.695 176.300 0.043 0.000 1.037 74 R CA -0.896 55.227 56.100 0.037 0.000 0.894 74 R CB 3.586 33.907 30.300 0.035 0.000 1.238 74 R HN -0.042 8.241 8.270 0.023 0.000 0.459 75 V N -0.101 119.845 119.914 0.053 0.000 2.841 75 V HA 0.529 4.687 4.120 0.063 0.000 0.310 75 V C -2.025 174.118 176.094 0.083 0.000 1.090 75 V CA -2.549 59.784 62.300 0.055 0.000 0.930 75 V CB 3.460 35.285 31.823 0.004 0.000 1.014 75 V HN 1.047 9.275 8.190 0.064 0.000 0.425 76 E N 4.027 124.294 120.200 0.112 0.000 2.133 76 E HA 0.307 4.855 4.350 0.118 -0.127 0.274 76 E C 0.222 176.923 176.600 0.169 0.000 0.930 76 E CA -1.553 54.924 56.400 0.129 0.000 0.770 76 E CB 0.858 30.635 29.700 0.128 0.000 1.104 76 E HN 0.262 8.697 8.360 0.124 0.000 0.403 77 L N 7.396 128.701 121.223 0.137 0.000 2.436 77 L HA -0.062 4.479 4.340 0.233 -0.061 0.244 77 L C -0.858 176.109 176.870 0.160 0.000 1.396 77 L CA -0.047 54.880 54.840 0.144 0.000 1.217 77 L CB -2.314 39.750 42.059 0.008 0.000 1.420 77 L HN 0.865 9.162 8.230 0.111 0.000 0.434 78 K N 0.872 121.362 120.400 0.150 0.000 2.185 78 K HA 0.296 4.628 4.320 0.020 0.000 0.271 78 K C -1.092 175.534 176.600 0.043 0.000 1.013 78 K CA -1.819 54.512 56.287 0.074 0.000 0.943 78 K CB -0.553 31.998 32.500 0.086 0.000 0.998 78 K HN -0.115 8.193 8.250 0.188 0.055 0.468 79 P HA -0.164 4.256 4.420 0.000 0.000 0.216 79 P C 0.825 178.095 177.300 -0.049 0.000 1.153 79 P CA 1.947 64.951 63.100 -0.159 0.000 0.858 79 P CB -0.021 31.453 31.700 -0.377 0.000 0.789 80 G N -2.017 106.754 108.800 -0.050 0.000 3.541 80 G HA2 -0.066 3.852 3.960 -0.070 0.000 0.253 80 G HA3 -0.066 3.866 3.960 -0.048 0.000 0.253 80 G C -1.286 173.567 174.900 -0.078 0.000 1.017 80 G CA -0.483 44.584 45.100 -0.056 0.000 1.832 80 G HN 0.150 8.413 8.290 -0.045 0.000 0.649 81 G N 0.639 109.361 108.800 -0.130 0.000 4.302 81 G HA2 0.083 3.845 3.960 -0.463 0.000 0.137 81 G HA3 0.083 3.918 3.960 -0.209 0.000 0.137 81 G C -2.547 171.861 174.900 -0.820 0.000 1.147 81 G CA 0.765 45.633 45.100 -0.387 0.000 1.041 81 G HN -0.533 7.652 8.290 -0.055 0.072 0.344 82 Y N -0.636 119.728 120.300 0.107 0.000 2.558 82 Y HA 0.817 5.550 4.550 -0.009 -0.188 0.333 82 Y C -1.675 174.257 175.900 0.054 0.000 1.125 82 Y CA -0.931 57.181 58.100 0.021 0.000 1.039 82 Y CB 4.349 42.770 38.460 -0.065 0.000 1.331 82 Y HN -0.014 8.304 8.280 0.064 0.000 0.456 83 H N -4.899 114.132 119.070 -0.065 0.000 2.917 83 H HA 0.354 4.718 4.556 -0.320 0.000 0.299 83 H C -2.796 172.240 175.328 -0.486 0.000 1.418 83 H CA -1.099 54.793 56.048 -0.261 0.000 1.138 83 H CB 2.517 32.203 29.762 -0.126 0.000 1.830 83 H HN 0.908 9.035 8.280 -0.256 0.000 0.514 84 F N -1.781 118.081 119.950 -0.146 0.000 2.420 84 F HA 0.653 5.230 4.527 -0.246 -0.197 0.342 84 F C -0.032 175.648 175.800 -0.201 0.000 1.113 84 F CA -1.651 56.221 58.000 -0.215 0.000 1.059 84 F CB 1.771 40.658 39.000 -0.187 0.000 1.128 84 F HN 0.195 8.421 8.300 -0.122 0.000 0.475 85 M N 2.142 121.644 119.600 -0.164 0.000 2.211 85 M HA 0.179 4.715 4.480 -0.111 -0.123 0.356 85 M C -1.284 174.960 176.300 -0.092 0.000 1.216 85 M CA -0.992 54.194 55.300 -0.190 0.000 1.134 85 M CB 0.581 32.911 32.600 -0.449 0.000 1.564 85 M HN 0.847 8.987 8.290 -0.250 0.000 0.463 86 L N 3.924 125.097 121.223 -0.083 0.000 2.337 86 L HA 0.342 4.638 4.340 -0.074 0.000 0.269 86 L C -1.579 175.255 176.870 -0.060 0.000 1.018 86 L CA -0.856 53.939 54.840 -0.075 0.000 0.876 86 L CB -0.372 41.636 42.059 -0.085 0.000 1.236 86 L HN 0.530 8.616 8.230 -0.088 0.091 0.436 87 L N 1.361 122.556 121.223 -0.048 0.000 2.322 87 L HA 0.315 4.635 4.340 -0.034 0.000 0.279 87 L C 0.646 177.497 176.870 -0.032 0.000 1.036 87 L CA -1.495 53.325 54.840 -0.033 0.000 0.807 87 L CB 1.180 43.229 42.059 -0.018 0.000 1.226 87 L HN 0.652 8.750 8.230 -0.047 0.103 0.433 88 G N 1.241 110.025 108.800 -0.028 0.000 2.587 88 G HA2 -0.404 3.542 3.960 -0.023 0.000 0.274 88 G HA3 -0.404 3.542 3.960 -0.023 0.000 0.274 88 G C -0.919 173.962 174.900 -0.031 0.000 1.046 88 G CA -0.132 44.952 45.100 -0.026 0.000 1.308 88 G HN 0.236 8.510 8.290 -0.027 0.000 0.529 89 L N 0.806 122.009 121.223 -0.034 0.000 2.361 89 L HA -0.163 4.284 4.340 -0.040 -0.132 0.278 89 L C 0.703 177.555 176.870 -0.029 0.000 1.113 89 L CA -0.365 54.453 54.840 -0.037 0.000 0.849 89 L CB -0.043 41.989 42.059 -0.044 0.000 1.155 89 L HN -0.405 7.805 8.230 -0.034 0.000 0.452 90 K N 3.324 123.707 120.400 -0.028 0.000 2.459 90 K HA -0.106 4.203 4.320 -0.019 0.000 0.193 90 K C -0.221 176.369 176.600 -0.016 0.000 1.030 90 K CA 0.514 56.788 56.287 -0.021 0.000 1.026 90 K CB 0.334 32.821 32.500 -0.022 0.000 0.809 90 K HN 0.358 8.463 8.250 -0.032 0.127 0.504 91 R N -2.884 117.606 120.500 -0.017 0.000 2.680 91 R HA 0.341 4.675 4.340 -0.010 0.000 0.269 91 R C -3.060 173.227 176.300 -0.020 0.000 1.026 91 R CA -3.050 53.043 56.100 -0.012 0.000 0.889 91 R CB 0.105 30.404 30.300 -0.001 0.000 1.241 91 R HN -0.843 7.365 8.270 -0.023 0.049 0.463 92 P HA -0.074 4.305 4.420 -0.069 0.000 0.267 92 P C -1.479 175.804 177.300 -0.028 0.000 1.205 92 P CA -0.662 62.410 63.100 -0.045 0.000 0.765 92 P CB 0.736 32.410 31.700 -0.042 0.000 0.828 93 L N 3.749 124.938 121.223 -0.058 0.000 2.369 93 L HA 0.018 4.382 4.340 0.040 0.000 0.279 93 L C -0.301 176.632 176.870 0.106 0.000 1.108 93 L CA -0.993 53.852 54.840 0.010 0.000 0.852 93 L CB -0.644 41.417 42.059 0.004 0.000 1.169 93 L HN -0.064 8.099 8.230 -0.111 0.000 0.452 94 K N 5.811 126.326 120.400 0.192 0.000 2.265 94 K HA 0.141 4.775 4.320 0.524 0.000 0.267 94 K C -1.871 174.888 176.600 0.264 0.000 0.994 94 K CA -1.791 54.676 56.287 0.300 0.000 0.860 94 K CB 2.205 34.807 32.500 0.169 0.000 1.099 94 K HN 0.161 8.488 8.250 0.129 0.000 0.448 95 A N 4.089 127.074 122.820 0.275 0.000 2.546 95 A HA -0.278 4.193 4.320 0.168 -0.050 0.243 95 A C 0.551 178.171 177.584 0.061 0.000 1.063 95 A CA 1.080 53.185 52.037 0.114 0.000 0.757 95 A CB -0.249 18.712 19.000 -0.065 0.000 0.991 95 A HN 0.364 8.733 8.150 0.365 0.000 0.503 96 G N 3.365 112.203 108.800 0.063 0.000 2.182 96 G HA2 -0.497 3.489 3.960 0.043 0.000 0.248 96 G HA3 -0.497 3.479 3.960 0.027 0.000 0.248 96 G C -0.697 174.237 174.900 0.057 0.000 1.042 96 G CA -0.132 44.996 45.100 0.046 0.000 0.775 96 G HN 0.593 8.932 8.290 0.083 0.000 0.501 97 E N -0.797 119.449 120.200 0.077 0.000 2.254 97 E HA 0.268 4.650 4.350 0.053 0.000 0.258 97 E C -1.048 175.593 176.600 0.068 0.000 1.033 97 E CA -2.011 54.429 56.400 0.067 0.000 0.893 97 E CB 2.363 32.106 29.700 0.071 0.000 1.204 97 E HN -0.455 7.964 8.360 0.097 0.000 0.425 98 E N -1.038 119.195 120.200 0.056 0.000 2.244 98 E HA 0.472 4.991 4.350 0.071 -0.127 0.266 98 E C -0.764 175.864 176.600 0.046 0.000 0.914 98 E CA -1.263 55.170 56.400 0.056 0.000 0.794 98 E CB 2.684 32.411 29.700 0.045 0.000 1.210 98 E HN 0.221 8.610 8.360 0.047 0.000 0.414 99 V N 2.470 122.411 119.914 0.045 0.000 2.531 99 V HA 0.282 4.412 4.120 0.016 0.000 0.301 99 V C -1.239 174.864 176.094 0.015 0.000 1.034 99 V CA -1.786 60.528 62.300 0.023 0.000 0.865 99 V CB 3.318 35.151 31.823 0.018 0.000 0.995 99 V HN 0.958 9.077 8.190 0.057 0.106 0.424 100 E N 7.031 127.233 120.200 0.002 0.000 2.354 100 E HA 0.213 4.718 4.350 0.006 -0.151 0.269 100 E C -1.354 175.226 176.600 -0.032 0.000 1.036 100 E CA 0.487 56.883 56.400 -0.006 0.000 0.876 100 E CB 1.220 30.916 29.700 -0.006 0.000 1.009 100 E HN 0.455 8.815 8.360 0.000 0.000 0.416 101 L N 3.740 124.941 121.223 -0.037 0.000 2.596 101 L HA 0.487 4.963 4.340 -0.113 -0.204 0.265 101 L C -2.342 174.486 176.870 -0.069 0.000 0.962 101 L CA -0.867 53.923 54.840 -0.083 0.000 0.891 101 L CB 4.302 46.302 42.059 -0.098 0.000 1.248 101 L HN 0.810 9.032 8.230 -0.014 0.000 0.410 102 D N 6.426 126.771 120.400 -0.093 0.000 2.435 102 D HA 0.189 4.818 4.640 -0.018 0.000 0.230 102 D C -0.386 175.844 176.300 -0.116 0.000 1.215 102 D CA 0.473 54.433 54.000 -0.067 0.000 0.947 102 D CB -0.039 40.724 40.800 -0.062 0.000 1.048 102 D HN 0.647 8.843 8.370 -0.118 0.103 0.512 103 L N 3.545 124.724 121.223 -0.073 0.000 2.418 103 L HA -0.117 4.072 4.340 -0.252 0.000 0.274 103 L C -0.647 176.063 176.870 -0.268 0.000 1.135 103 L CA 0.185 54.921 54.840 -0.173 0.000 0.870 103 L CB -0.458 41.581 42.059 -0.033 0.000 1.154 103 L HN 0.039 8.273 8.230 0.006 0.000 0.462 104 L N 2.614 123.609 121.223 -0.380 0.000 2.275 104 L HA 0.251 4.538 4.340 -0.089 0.000 0.288 104 L C -0.814 175.794 176.870 -0.437 0.000 1.046 104 L CA -0.532 54.155 54.840 -0.255 0.000 0.805 104 L CB 0.603 42.580 42.059 -0.136 0.000 1.193 104 L HN 0.558 8.460 8.230 -0.352 0.116 0.426 105 F N 2.009 121.967 119.950 0.014 0.000 2.540 105 F HA 0.702 5.428 4.527 0.006 -0.196 0.317 105 F C -0.653 175.134 175.800 -0.021 0.000 1.104 105 F CA -2.146 55.854 58.000 -0.000 0.000 0.913 105 F CB 4.368 43.367 39.000 -0.003 0.000 1.170 105 F HN 0.717 9.116 8.300 0.165 0.000 0.450 106 A N 3.732 126.635 122.820 0.139 0.000 2.567 106 A HA -0.213 4.114 4.320 0.011 0.000 0.240 106 A C 0.021 177.622 177.584 0.028 0.000 1.053 106 A CA 1.596 53.650 52.037 0.028 0.000 0.755 106 A CB -0.693 18.271 19.000 -0.060 0.000 0.978 106 A HN 0.652 8.898 8.150 0.159 0.000 0.507 107 G N 2.085 110.892 108.800 0.013 0.000 2.498 107 G HA2 -0.271 3.692 3.960 0.005 0.000 0.245 107 G HA3 -0.271 3.694 3.960 0.008 0.000 0.245 107 G C 0.248 175.165 174.900 0.028 0.000 1.204 107 G CA -0.041 45.067 45.100 0.013 0.000 0.933 107 G HN 0.025 8.320 8.290 0.008 0.000 0.574 108 G N 2.352 111.167 108.800 0.025 0.000 3.943 108 G HA2 0.097 4.074 3.960 0.030 0.000 0.275 108 G HA3 0.097 4.068 3.960 0.019 0.000 0.275 108 G C -0.976 173.950 174.900 0.043 0.000 1.234 108 G CA -0.314 44.803 45.100 0.029 0.000 1.522 108 G HN 0.242 8.541 8.290 0.016 0.000 0.636 109 K N 1.922 122.370 120.400 0.080 0.000 2.316 109 K HA 0.474 4.838 4.320 0.073 0.000 0.251 109 K C -1.949 174.762 176.600 0.184 0.000 0.934 109 K CA -1.037 55.320 56.287 0.116 0.000 0.802 109 K CB 3.388 35.962 32.500 0.123 0.000 1.171 109 K HN -0.575 7.681 8.250 0.097 0.053 0.426 110 V N 1.990 122.004 119.914 0.167 0.000 2.851 110 V HA 0.766 5.243 4.120 0.280 -0.190 0.307 110 V C -1.762 174.439 176.094 0.178 0.000 1.129 110 V CA -2.217 60.194 62.300 0.185 0.000 0.932 110 V CB 2.451 34.321 31.823 0.077 0.000 1.024 110 V HN 0.231 8.490 8.190 0.114 0.000 0.426 111 L N 7.680 129.048 121.223 0.241 0.000 2.372 111 L HA 0.401 4.806 4.340 0.108 0.000 0.273 111 L C -1.546 175.402 176.870 0.131 0.000 0.989 111 L CA -0.979 53.967 54.840 0.177 0.000 0.841 111 L CB 2.135 44.322 42.059 0.214 0.000 1.225 111 L HN 0.599 9.009 8.230 0.301 0.000 0.414 112 K N 6.192 126.636 120.400 0.074 0.000 2.312 112 K HA 0.077 4.607 4.320 0.033 -0.191 0.287 112 K C -0.357 176.274 176.600 0.053 0.000 1.062 112 K CA 0.102 56.416 56.287 0.045 0.000 0.934 112 K CB 0.446 32.961 32.500 0.025 0.000 1.027 112 K HN 0.332 8.620 8.250 0.063 0.000 0.478 113 V N 4.021 123.965 119.914 0.051 0.000 2.994 113 V HA 0.496 4.653 4.120 0.061 0.000 0.318 113 V C -2.256 173.864 176.094 0.044 0.000 1.085 113 V CA -2.065 60.271 62.300 0.059 0.000 0.998 113 V CB 2.896 34.769 31.823 0.084 0.000 1.063 113 V HN 0.783 8.887 8.190 0.036 0.107 0.447 114 V N 0.664 120.610 119.914 0.054 0.000 2.630 114 V HA 0.727 5.058 4.120 0.040 -0.188 0.305 114 V C -1.041 175.097 176.094 0.073 0.000 1.046 114 V CA -1.729 60.602 62.300 0.052 0.000 0.934 114 V CB 2.270 34.122 31.823 0.048 0.000 1.003 114 V HN -0.124 8.105 8.190 0.064 0.000 0.451 115 L N 6.584 127.853 121.223 0.077 0.000 2.409 115 L HA 0.573 4.987 4.340 0.123 0.000 0.262 115 L C -2.761 174.177 176.870 0.114 0.000 0.992 115 L CA -3.171 51.735 54.840 0.110 0.000 0.817 115 L CB 2.972 45.104 42.059 0.121 0.000 1.350 115 L HN 0.562 8.829 8.230 0.061 0.000 0.411 116 P HA 0.123 4.734 4.420 0.106 -0.127 0.272 116 P C -0.876 176.535 177.300 0.185 0.000 1.223 116 P CA -0.735 62.448 63.100 0.138 0.000 0.784 116 P CB 0.458 32.236 31.700 0.129 0.000 0.923 117 V N 0.545 120.560 119.914 0.167 0.000 2.546 117 V HA 0.410 4.881 4.120 0.257 -0.196 0.284 117 V C -0.320 175.911 176.094 0.228 0.000 1.050 117 V CA -0.121 62.307 62.300 0.214 0.000 0.981 117 V CB 0.449 32.376 31.823 0.174 0.000 0.990 117 V HN 0.657 8.816 8.190 0.129 0.108 0.474 118 E N 6.731 127.122 120.200 0.319 0.000 2.412 118 E HA 0.256 4.667 4.350 0.100 0.000 0.279 118 E C -2.153 174.601 176.600 0.257 0.000 0.984 118 E CA -1.514 55.004 56.400 0.196 0.000 0.788 118 E CB 5.188 34.935 29.700 0.078 0.000 1.277 118 E HN 0.721 9.345 8.360 0.441 0.000 0.455 119 A N 2.877 125.730 122.820 0.056 0.000 3.095 119 A HA 0.222 4.764 4.320 0.371 0.000 0.301 119 A C -1.134 176.464 177.584 0.023 0.000 1.432 119 A CA -0.660 51.430 52.037 0.088 0.000 1.140 119 A CB -1.002 17.859 19.000 -0.233 0.000 1.174 119 A HN 0.588 8.695 8.150 -0.073 0.000 0.546 120 R N 0.000 120.571 120.500 0.118 0.000 2.786 120 R HA 0.000 4.356 4.340 0.027 0.000 0.208 120 R CA 0.000 56.146 56.100 0.077 0.000 0.921 120 R CB 0.000 30.080 30.300 -0.366 0.000 0.687 120 R HN 0.000 8.472 8.270 0.337 0.000 0.535