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 3cjr_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKKVVAVVKL QLPAGKATPA PPVGPALGQH GANIMEFVAA FNAATANMGD DATA SEQUENCE AIVPVEITIY ADRSFTFVTK TPPASYLIRX XXXXXXXXXX XXXXXXXXIT DATA SEQUENCE WEQVLEIAKQ KMPDLNTTDL EAAARMIAGS ARSMGVE 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 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.277 176.300 -0.038 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.042 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.004 0.000 1.302 2 K N 1.574 121.949 120.400 -0.041 0.000 5.379 2 K HA -0.096 4.226 4.320 0.003 0.000 0.486 2 K C -0.672 175.985 176.600 0.094 0.000 1.185 2 K CA 0.465 56.718 56.287 -0.057 0.000 1.355 2 K CB -0.216 32.106 32.500 -0.298 0.000 1.722 2 K HN 0.746 8.996 8.250 -0.000 0.000 0.399 3 K N 2.089 122.562 120.400 0.122 0.000 2.368 3 K HA 0.192 4.514 4.320 0.003 0.000 0.282 3 K C 0.038 176.766 176.600 0.214 0.000 1.035 3 K CA -0.436 55.933 56.287 0.137 0.000 0.973 3 K CB 0.806 33.356 32.500 0.084 0.000 0.957 3 K HN 0.164 8.414 8.250 -0.000 0.000 0.474 4 V N 5.908 125.914 119.914 0.153 0.000 2.488 4 V HA 0.008 4.130 4.120 0.003 0.000 0.277 4 V C 1.123 177.202 176.094 -0.026 0.000 1.046 4 V CA -0.225 62.089 62.300 0.023 0.000 0.986 4 V CB 1.130 32.932 31.823 -0.035 0.000 0.989 4 V HN 0.797 8.987 8.190 -0.000 0.000 0.475 5 V N 1.549 121.412 119.914 -0.084 0.000 3.621 5 V HA 0.772 4.894 4.120 0.003 0.000 0.263 5 V C 0.555 176.536 176.094 -0.188 0.000 1.272 5 V CA 0.657 62.913 62.300 -0.072 0.000 1.080 5 V CB 0.105 31.931 31.823 0.004 0.000 0.816 5 V HN 0.970 9.160 8.190 -0.000 0.000 0.451 6 A N -0.463 122.169 122.820 -0.314 0.000 2.594 6 A HA 0.735 5.057 4.320 0.003 0.000 0.296 6 A C -1.402 175.996 177.584 -0.310 0.000 1.061 6 A CA 0.056 51.850 52.037 -0.404 0.000 0.689 6 A CB 2.085 20.517 19.000 -0.946 0.000 1.280 6 A HN 1.029 9.179 8.150 -0.000 0.000 0.406 7 V N 3.006 122.790 119.914 -0.217 0.000 2.325 7 V HA 0.570 4.692 4.120 0.003 0.000 0.280 7 V C -1.070 174.940 176.094 -0.139 0.000 1.016 7 V CA -0.356 61.847 62.300 -0.161 0.000 0.818 7 V CB 1.061 32.823 31.823 -0.102 0.000 1.019 7 V HN 0.856 9.046 8.190 -0.000 0.000 0.434 8 V N 7.596 127.412 119.914 -0.163 0.000 2.406 8 V HA 0.441 4.563 4.120 0.003 0.000 0.272 8 V C 0.309 176.331 176.094 -0.120 0.000 1.043 8 V CA -0.552 61.657 62.300 -0.152 0.000 0.915 8 V CB 1.375 33.070 31.823 -0.214 0.000 0.988 8 V HN 0.787 8.977 8.190 -0.000 0.000 0.466 9 K N 6.132 126.479 120.400 -0.087 0.000 2.263 9 K HA 0.678 5.000 4.320 0.003 0.000 0.272 9 K C -0.999 175.556 176.600 -0.075 0.000 1.033 9 K CA -0.306 55.945 56.287 -0.060 0.000 0.884 9 K CB 1.285 33.764 32.500 -0.034 0.000 1.107 9 K HN 0.519 8.769 8.250 -0.000 0.000 0.460 10 L N 1.900 123.074 121.223 -0.081 0.000 2.301 10 L HA 0.452 4.794 4.340 0.003 0.000 0.264 10 L C -0.453 176.383 176.870 -0.058 0.000 1.016 10 L CA -1.069 53.712 54.840 -0.098 0.000 0.821 10 L CB 2.147 44.102 42.059 -0.174 0.000 1.346 10 L HN 0.449 8.679 8.230 -0.000 0.000 0.429 11 Q N 2.260 122.023 119.800 -0.061 0.000 2.303 11 Q HA 0.636 4.977 4.340 0.003 0.000 0.267 11 Q C -1.597 174.373 176.000 -0.049 0.000 1.011 11 Q CA -0.352 55.432 55.803 -0.031 0.000 0.740 11 Q CB 2.709 31.437 28.738 -0.017 0.000 1.250 11 Q HN 0.424 8.694 8.270 -0.000 0.000 0.458 12 L N 3.347 124.550 121.223 -0.032 0.000 2.341 12 L HA 0.648 4.990 4.340 0.003 0.000 0.267 12 L C -2.299 174.626 176.870 0.091 0.000 1.009 12 L CA -2.450 52.366 54.840 -0.039 0.000 0.819 12 L CB 2.095 43.984 42.059 -0.284 0.000 1.323 12 L HN 0.376 8.606 8.230 -0.000 0.000 0.425 13 P HA 0.073 4.493 4.420 -0.000 0.000 0.271 13 P C -0.727 176.668 177.300 0.159 0.000 1.216 13 P CA -0.310 62.835 63.100 0.074 0.000 0.776 13 P CB 0.920 32.646 31.700 0.044 0.000 0.881 14 A N 3.018 125.880 122.820 0.069 0.000 2.522 14 A HA 0.409 4.731 4.320 0.003 0.000 0.256 14 A C 1.552 179.134 177.584 -0.004 0.000 1.086 14 A CA 0.620 52.656 52.037 -0.000 0.000 0.763 14 A CB -1.484 17.480 19.000 -0.060 0.000 1.024 14 A HN 0.879 9.029 8.150 -0.000 0.000 0.502 15 G N 2.123 110.894 108.800 -0.048 0.000 2.166 15 G HA2 -0.268 3.694 3.960 0.003 0.000 0.260 15 G HA3 -0.268 3.694 3.960 0.003 0.000 0.260 15 G C 0.447 175.367 174.900 0.033 0.000 0.986 15 G CA 0.920 46.000 45.100 -0.033 0.000 0.683 15 G HN 0.824 9.114 8.290 -0.000 0.000 0.527 16 K N -0.311 120.142 120.400 0.088 0.000 2.706 16 K HA 0.542 4.864 4.320 0.003 0.000 0.203 16 K C 0.834 177.475 176.600 0.067 0.000 1.102 16 K CA 0.209 56.534 56.287 0.063 0.000 1.058 16 K CB 1.078 33.604 32.500 0.043 0.000 0.779 16 K HN 0.526 8.776 8.250 -0.000 0.000 0.483 17 A N 1.409 124.293 122.820 0.106 0.000 2.407 17 A HA 0.396 4.718 4.320 0.003 0.000 0.248 17 A C 0.458 178.042 177.584 0.001 0.000 1.082 17 A CA 0.197 52.245 52.037 0.019 0.000 0.785 17 A CB 0.209 19.166 19.000 -0.072 0.000 1.020 17 A HN 0.258 8.408 8.150 -0.000 0.000 0.489 18 T N -0.738 113.807 114.554 -0.016 0.000 2.901 18 T HA 0.660 5.012 4.350 0.003 0.000 0.293 18 T C -2.386 172.310 174.700 -0.007 0.000 1.084 18 T CA -1.365 60.731 62.100 -0.007 0.000 1.008 18 T CB 1.706 70.571 68.868 -0.005 0.000 1.170 18 T HN 0.355 8.595 8.240 -0.000 0.000 0.509 19 P HA 0.120 4.540 4.420 -0.000 0.000 0.234 19 P C 0.586 177.875 177.300 -0.019 0.000 1.167 19 P CA 0.243 63.341 63.100 -0.004 0.000 0.763 19 P CB -0.457 31.244 31.700 0.003 0.000 0.835 20 A N 1.322 124.130 122.820 -0.020 0.000 2.366 20 A HA 0.382 4.704 4.320 0.003 0.000 0.249 20 A C -2.153 175.407 177.584 -0.039 0.000 1.084 20 A CA -1.314 50.708 52.037 -0.026 0.000 0.794 20 A CB -1.125 17.863 19.000 -0.020 0.000 1.034 20 A HN 0.030 8.180 8.150 -0.000 0.000 0.491 21 P HA 0.019 4.439 4.420 -0.000 0.000 0.264 21 P C -1.662 175.604 177.300 -0.057 0.000 1.179 21 P CA -0.413 62.655 63.100 -0.052 0.000 0.763 21 P CB 0.103 31.777 31.700 -0.043 0.000 0.806 22 P HA -0.021 4.399 4.420 -0.000 0.000 0.235 22 P C 1.164 178.393 177.300 -0.117 0.000 1.177 22 P CA 0.550 63.596 63.100 -0.089 0.000 0.785 22 P CB 0.092 31.734 31.700 -0.096 0.000 0.885 23 V N 1.176 121.016 119.914 -0.124 0.000 2.282 23 V HA -0.222 3.900 4.120 0.003 0.000 0.249 23 V C 2.778 178.789 176.094 -0.140 0.000 1.057 23 V CA 2.444 64.650 62.300 -0.157 0.000 1.032 23 V CB -1.812 29.965 31.823 -0.077 0.000 0.645 23 V HN 0.196 8.386 8.190 -0.000 0.000 0.447 24 G N 1.267 110.014 108.800 -0.088 0.000 2.679 24 G HA2 -0.248 3.713 3.960 0.003 0.000 0.217 24 G HA3 -0.248 3.713 3.960 0.003 0.000 0.217 24 G C 0.118 174.969 174.900 -0.081 0.000 1.267 24 G CA 1.448 46.505 45.100 -0.071 0.000 0.799 24 G HN 0.572 8.862 8.290 -0.000 0.000 0.606 25 P HA -0.015 4.405 4.420 -0.000 0.000 0.217 25 P C 2.033 179.281 177.300 -0.087 0.000 1.150 25 P CA 2.009 65.063 63.100 -0.077 0.000 0.832 25 P CB -0.225 31.435 31.700 -0.067 0.000 0.787 26 A N -0.479 122.277 122.820 -0.106 0.000 1.902 26 A HA -0.135 4.186 4.320 0.003 0.000 0.217 26 A C 2.163 179.688 177.584 -0.100 0.000 1.181 26 A CA 1.622 53.593 52.037 -0.111 0.000 0.623 26 A CB -1.368 17.532 19.000 -0.167 0.000 0.818 26 A HN 0.133 8.283 8.150 -0.000 0.000 0.443 27 L N -1.176 119.947 121.223 -0.167 0.000 2.357 27 L HA 0.200 4.542 4.340 0.003 0.000 0.211 27 L C 2.635 179.461 176.870 -0.073 0.000 1.075 27 L CA 1.273 56.011 54.840 -0.171 0.000 0.830 27 L CB -0.758 41.095 42.059 -0.343 0.000 0.996 27 L HN 0.354 8.584 8.230 -0.000 0.000 0.467 28 G N -0.201 108.551 108.800 -0.080 0.000 2.432 28 G HA2 -0.298 3.664 3.960 0.003 0.000 0.219 28 G HA3 -0.298 3.664 3.960 0.003 0.000 0.219 28 G C 1.405 176.263 174.900 -0.070 0.000 1.135 28 G CA 0.855 45.919 45.100 -0.059 0.000 0.767 28 G HN 0.588 8.878 8.290 -0.000 0.000 0.550 29 Q N -0.772 118.960 119.800 -0.114 0.000 2.291 29 Q HA -0.036 4.306 4.340 0.003 0.000 0.205 29 Q C 1.491 177.285 176.000 -0.344 0.000 0.970 29 Q CA 1.474 57.142 55.803 -0.226 0.000 0.876 29 Q CB -0.329 28.235 28.738 -0.290 0.000 0.935 29 Q HN 0.606 8.876 8.270 -0.000 0.000 0.455 30 H N -0.720 118.317 119.070 -0.055 0.000 2.594 30 H HA 0.342 4.900 4.556 0.003 0.000 0.279 30 H C 0.716 176.035 175.328 -0.016 0.000 1.042 30 H CA 0.217 56.242 56.048 -0.038 0.000 1.177 30 H CB 1.252 30.981 29.762 -0.055 0.000 1.524 30 H HN 0.469 8.749 8.280 -0.000 0.000 0.537 31 G N 0.628 109.459 108.800 0.052 0.000 2.153 31 G HA2 -0.292 3.670 3.960 0.003 0.000 0.252 31 G HA3 -0.292 3.670 3.960 0.003 0.000 0.252 31 G C 0.485 175.429 174.900 0.072 0.000 0.994 31 G CA 0.176 45.305 45.100 0.048 0.000 0.698 31 G HN 0.670 8.960 8.290 -0.000 0.000 0.521 32 A N -0.283 122.575 122.820 0.064 0.000 2.386 32 A HA 0.565 4.887 4.320 0.003 0.000 0.248 32 A C 0.737 178.359 177.584 0.062 0.000 1.082 32 A CA 0.042 52.127 52.037 0.081 0.000 0.789 32 A CB 0.324 19.306 19.000 -0.030 0.000 1.025 32 A HN 0.513 8.663 8.150 -0.000 0.000 0.490 33 N N 1.755 120.559 118.700 0.173 0.000 2.400 33 N HA 0.072 4.814 4.740 0.003 0.000 0.267 33 N C 0.945 176.519 175.510 0.107 0.000 1.208 33 N CA 0.087 53.240 53.050 0.172 0.000 0.951 33 N CB 0.054 38.702 38.487 0.269 0.000 1.227 33 N HN 0.583 8.963 8.380 -0.000 0.000 0.488 34 I N 2.773 123.367 120.570 0.039 0.000 2.179 34 I HA -0.289 3.883 4.170 0.003 0.000 0.242 34 I C 2.125 178.295 176.117 0.088 0.000 1.088 34 I CA 0.943 62.253 61.300 0.017 0.000 1.357 34 I CB -0.060 37.937 38.000 -0.005 0.000 1.051 34 I HN 0.498 8.708 8.210 -0.000 0.000 0.409 35 M N -0.034 119.619 119.600 0.088 0.000 2.159 35 M HA -0.207 4.275 4.480 0.003 0.000 0.263 35 M C 2.216 178.595 176.300 0.131 0.000 1.063 35 M CA 1.555 56.908 55.300 0.089 0.000 1.110 35 M CB -1.270 31.372 32.600 0.071 0.000 1.374 35 M HN 0.319 8.609 8.290 -0.000 0.000 0.411 36 E N -0.140 120.183 120.200 0.205 0.000 2.077 36 E HA -0.221 4.131 4.350 0.003 0.000 0.193 36 E C 1.975 178.824 176.600 0.416 0.000 0.989 36 E CA 1.125 57.711 56.400 0.309 0.000 0.800 36 E CB -0.147 29.801 29.700 0.413 0.000 0.746 36 E HN 0.368 8.728 8.360 -0.000 0.000 0.452 37 F N 0.854 120.931 119.950 0.211 0.000 2.102 37 F HA -0.185 4.343 4.527 0.003 0.000 0.298 37 F C 2.022 177.823 175.800 0.002 0.000 1.105 37 F CA 1.239 59.249 58.000 0.016 0.000 1.239 37 F CB -0.490 38.174 39.000 -0.560 0.000 0.991 37 F HN -0.129 8.171 8.300 -0.000 0.000 0.474 38 V N 0.926 120.776 119.914 -0.107 0.000 2.252 38 V HA -0.373 3.749 4.120 0.003 0.000 0.249 38 V C 2.803 178.830 176.094 -0.112 0.000 1.056 38 V CA 2.108 64.312 62.300 -0.159 0.000 1.022 38 V CB -1.686 30.132 31.823 -0.008 0.000 0.641 38 V HN 0.526 8.716 8.190 -0.000 0.000 0.445 39 A N -0.317 122.494 122.820 -0.014 0.000 1.877 39 A HA -0.114 4.208 4.320 0.003 0.000 0.216 39 A C 2.397 179.996 177.584 0.025 0.000 1.186 39 A CA 2.249 54.297 52.037 0.020 0.000 0.620 39 A CB -0.806 18.228 19.000 0.057 0.000 0.822 39 A HN 0.597 8.747 8.150 -0.000 0.000 0.443 40 A N -1.384 121.478 122.820 0.071 0.000 1.898 40 A HA 0.029 4.350 4.320 0.003 0.000 0.216 40 A C 2.061 179.744 177.584 0.165 0.000 1.181 40 A CA 1.477 53.626 52.037 0.187 0.000 0.620 40 A CB -0.703 18.558 19.000 0.435 0.000 0.819 40 A HN 0.665 8.815 8.150 -0.000 0.000 0.442 41 F N 1.566 121.287 119.950 -0.382 0.000 2.102 41 F HA -0.214 4.315 4.527 0.003 0.000 0.298 41 F C 2.002 177.675 175.800 -0.211 0.000 1.105 41 F CA 2.095 59.773 58.000 -0.536 0.000 1.239 41 F CB -0.236 38.021 39.000 -1.239 0.000 0.991 41 F HN 0.199 8.499 8.300 -0.000 0.000 0.474 42 N N 0.766 119.401 118.700 -0.109 0.000 2.166 42 N HA -0.151 4.590 4.740 0.003 0.000 0.186 42 N C 1.951 177.381 175.510 -0.133 0.000 1.019 42 N CA 1.503 54.488 53.050 -0.108 0.000 0.856 42 N CB -0.816 37.664 38.487 -0.011 0.000 0.993 42 N HN 0.448 8.828 8.380 -0.000 0.000 0.426 43 A N 0.593 123.367 122.820 -0.078 0.000 1.929 43 A HA 0.151 4.473 4.320 0.003 0.000 0.216 43 A C 2.265 179.805 177.584 -0.074 0.000 1.176 43 A CA 1.582 53.588 52.037 -0.052 0.000 0.628 43 A CB -0.638 18.357 19.000 -0.008 0.000 0.816 43 A HN 0.291 8.441 8.150 -0.000 0.000 0.444 44 A N -0.440 122.330 122.820 -0.082 0.000 2.015 44 A HA 0.015 4.337 4.320 0.003 0.000 0.219 44 A C 2.041 179.524 177.584 -0.170 0.000 1.163 44 A CA 2.050 54.041 52.037 -0.076 0.000 0.646 44 A CB -0.752 18.280 19.000 0.054 0.000 0.806 44 A HN 0.785 8.935 8.150 -0.000 0.000 0.448 45 T N -4.534 109.830 114.554 -0.316 0.000 3.129 45 T HA 0.574 4.926 4.350 0.003 0.000 0.267 45 T C 1.376 175.956 174.700 -0.200 0.000 1.018 45 T CA 0.703 62.605 62.100 -0.330 0.000 0.903 45 T CB 0.388 68.867 68.868 -0.648 0.000 1.067 45 T HN 0.375 8.615 8.240 -0.000 0.000 0.549 46 A N 2.626 125.361 122.820 -0.143 0.000 1.902 46 A HA -0.071 4.250 4.320 0.003 0.000 0.217 46 A C 2.245 179.797 177.584 -0.055 0.000 1.181 46 A CA 1.641 53.626 52.037 -0.086 0.000 0.623 46 A CB -0.880 18.083 19.000 -0.062 0.000 0.818 46 A HN 0.519 8.669 8.150 -0.000 0.000 0.443 47 N N -0.877 117.794 118.700 -0.048 0.000 2.494 47 N HA 0.060 4.802 4.740 0.003 0.000 0.182 47 N C 1.472 176.972 175.510 -0.017 0.000 1.076 47 N CA 0.677 53.712 53.050 -0.026 0.000 0.908 47 N CB -0.347 38.128 38.487 -0.021 0.000 0.967 47 N HN 0.515 8.895 8.380 -0.000 0.000 0.449 48 M N -1.072 118.509 119.600 -0.031 0.000 2.557 48 M HA 0.123 4.604 4.480 0.003 0.000 0.259 48 M C 1.420 177.724 176.300 0.005 0.000 1.086 48 M CA 0.645 55.935 55.300 -0.015 0.000 1.096 48 M CB -0.217 32.358 32.600 -0.042 0.000 1.424 48 M HN 0.211 8.501 8.290 -0.000 0.000 0.488 49 G N 1.190 109.989 108.800 -0.000 0.000 2.559 49 G HA2 -0.294 3.668 3.960 0.003 0.000 0.282 49 G HA3 -0.294 3.668 3.960 0.003 0.000 0.282 49 G C 0.204 175.117 174.900 0.022 0.000 1.177 49 G CA 0.374 45.485 45.100 0.018 0.000 0.960 49 G HN 0.410 8.700 8.290 -0.000 0.000 0.540 50 D N 2.280 122.711 120.400 0.051 0.000 2.369 50 D HA 0.513 5.155 4.640 0.003 0.000 0.211 50 D C 1.346 177.655 176.300 0.015 0.000 1.077 50 D CA 0.823 54.857 54.000 0.057 0.000 0.842 50 D CB 0.143 41.001 40.800 0.097 0.000 0.947 50 D HN 0.841 9.211 8.370 -0.000 0.000 0.509 51 A N 1.131 123.927 122.820 -0.041 0.000 2.511 51 A HA 0.132 4.454 4.320 0.003 0.000 0.242 51 A C 0.409 177.766 177.584 -0.377 0.000 1.069 51 A CA -0.092 51.741 52.037 -0.340 0.000 0.763 51 A CB 0.173 19.067 19.000 -0.177 0.000 1.001 51 A HN 0.032 8.182 8.150 -0.000 0.000 0.498 52 I N 3.313 123.487 120.570 -0.661 0.000 2.452 52 I HA 0.123 4.295 4.170 0.003 0.000 0.287 52 I C -0.008 175.999 176.117 -0.182 0.000 1.079 52 I CA 0.165 61.275 61.300 -0.315 0.000 1.387 52 I CB 0.455 38.289 38.000 -0.278 0.000 1.404 52 I HN 0.253 8.463 8.210 -0.000 0.000 0.522 53 V N 9.647 129.554 119.914 -0.011 0.000 2.328 53 V HA 0.300 4.422 4.120 0.003 0.000 0.278 53 V C -2.210 173.965 176.094 0.135 0.000 1.021 53 V CA -1.736 60.618 62.300 0.090 0.000 0.838 53 V CB 1.506 33.447 31.823 0.197 0.000 0.999 53 V HN 0.579 8.769 8.190 -0.000 0.000 0.447 54 P HA 0.308 4.728 4.420 -0.000 0.000 0.276 54 P C -0.803 176.590 177.300 0.154 0.000 1.230 54 P CA -0.019 63.133 63.100 0.086 0.000 0.776 54 P CB 1.447 33.181 31.700 0.056 0.000 0.888 55 V N 3.040 123.037 119.914 0.138 0.000 2.709 55 V HA 0.355 4.477 4.120 0.003 0.000 0.308 55 V C -1.003 175.163 176.094 0.121 0.000 1.062 55 V CA -0.688 61.740 62.300 0.214 0.000 0.901 55 V CB 2.044 34.056 31.823 0.315 0.000 1.003 55 V HN 0.408 8.598 8.190 -0.000 0.000 0.425 56 E N 5.833 126.135 120.200 0.170 0.000 2.114 56 E HA 0.453 4.805 4.350 0.003 0.000 0.266 56 E C -1.334 175.351 176.600 0.141 0.000 0.896 56 E CA -0.524 55.934 56.400 0.097 0.000 0.750 56 E CB 1.891 31.640 29.700 0.081 0.000 1.121 56 E HN 0.565 8.925 8.360 -0.000 0.000 0.413 57 I N 2.489 123.066 120.570 0.012 0.000 2.312 57 I HA 0.120 4.292 4.170 0.003 0.000 0.290 57 I C 0.228 176.303 176.117 -0.070 0.000 1.008 57 I CA -0.148 61.152 61.300 0.001 0.000 1.226 57 I CB 1.476 39.288 38.000 -0.313 0.000 1.371 57 I HN 0.231 8.441 8.210 -0.000 0.000 0.468 58 T N 7.438 121.976 114.554 -0.027 0.000 2.728 58 T HA 0.573 4.924 4.350 0.003 0.000 0.296 58 T C 0.129 174.585 174.700 -0.407 0.000 0.940 58 T CA -0.174 61.782 62.100 -0.239 0.000 1.013 58 T CB 0.136 68.858 68.868 -0.243 0.000 0.912 58 T HN 0.252 8.492 8.240 -0.000 0.000 0.484 59 I N 3.734 124.040 120.570 -0.439 0.000 2.377 59 I HA 0.428 4.599 4.170 0.003 0.000 0.293 59 I C -0.552 175.311 176.117 -0.424 0.000 0.987 59 I CA -0.956 60.145 61.300 -0.332 0.000 1.185 59 I CB 1.023 38.883 38.000 -0.233 0.000 1.341 59 I HN 0.555 8.765 8.210 -0.000 0.000 0.455 60 Y N 2.941 123.270 120.300 0.049 0.000 2.519 60 Y HA 0.489 5.041 4.550 0.003 0.000 0.324 60 Y C 1.267 177.191 175.900 0.039 0.000 1.214 60 Y CA -0.747 57.373 58.100 0.033 0.000 1.260 60 Y CB 1.055 39.536 38.460 0.035 0.000 1.311 60 Y HN 0.587 8.867 8.280 -0.000 0.000 0.505 61 A N 0.168 123.113 122.820 0.208 0.000 2.015 61 A HA -0.162 4.160 4.320 0.003 0.000 0.219 61 A C 1.410 179.062 177.584 0.114 0.000 1.163 61 A CA 1.744 53.857 52.037 0.127 0.000 0.646 61 A CB -0.798 18.260 19.000 0.097 0.000 0.806 61 A HN 0.823 8.973 8.150 -0.000 0.000 0.448 62 D N -1.892 118.585 120.400 0.128 0.000 2.328 62 D HA 0.025 4.667 4.640 0.003 0.000 0.226 62 D C 0.838 177.209 176.300 0.119 0.000 1.066 62 D CA 0.140 54.198 54.000 0.097 0.000 0.861 62 D CB -0.377 40.460 40.800 0.062 0.000 0.912 62 D HN 0.480 8.850 8.370 -0.000 0.000 0.521 63 R N -1.072 119.520 120.500 0.154 0.000 3.785 63 R HA -0.170 4.172 4.340 0.003 0.000 0.476 63 R C 0.437 176.880 176.300 0.238 0.000 0.905 63 R CA 1.038 57.239 56.100 0.168 0.000 1.412 63 R CB -2.443 27.935 30.300 0.129 0.000 2.077 63 R HN 0.446 8.716 8.270 -0.000 0.000 0.504 64 S N 0.609 116.459 115.700 0.250 0.000 2.608 64 S HA 0.561 5.032 4.470 0.003 0.000 0.261 64 S C 0.095 174.983 174.600 0.480 0.000 1.314 64 S CA -0.187 58.178 58.200 0.276 0.000 0.992 64 S CB 0.804 64.078 63.200 0.123 0.000 0.935 64 S HN 0.380 8.690 8.310 -0.000 0.000 0.564 65 F N -1.889 118.248 119.950 0.311 0.000 2.662 65 F HA 0.818 5.347 4.527 0.003 0.000 0.312 65 F C -0.631 175.389 175.800 0.366 0.000 1.113 65 F CA -0.676 57.499 58.000 0.291 0.000 0.951 65 F CB 1.338 40.429 39.000 0.153 0.000 1.344 65 F HN 0.850 9.149 8.300 -0.000 0.000 0.462 66 T N -0.170 114.676 114.554 0.487 0.000 2.901 66 T HA 0.854 5.206 4.350 0.003 0.000 0.293 66 T C -1.213 173.797 174.700 0.517 0.000 1.084 66 T CA -0.741 61.569 62.100 0.349 0.000 1.008 66 T CB 2.197 71.209 68.868 0.240 0.000 1.170 66 T HN 1.234 9.474 8.240 -0.000 0.000 0.509 67 F N -0.917 119.228 119.950 0.326 0.000 2.626 67 F HA 0.847 5.375 4.527 0.003 0.000 0.311 67 F C -1.963 173.966 175.800 0.215 0.000 1.088 67 F CA -1.468 56.710 58.000 0.297 0.000 0.949 67 F CB 1.322 40.604 39.000 0.469 0.000 1.322 67 F HN 0.494 8.794 8.300 -0.000 0.000 0.461 68 V N 1.647 121.780 119.914 0.365 0.000 2.531 68 V HA 0.568 4.690 4.120 0.003 0.000 0.301 68 V C -0.161 176.126 176.094 0.322 0.000 1.034 68 V CA -0.434 62.000 62.300 0.224 0.000 0.865 68 V CB 1.756 33.655 31.823 0.126 0.000 0.995 68 V HN 1.085 9.275 8.190 -0.000 0.000 0.424 69 T N 2.251 116.979 114.554 0.290 0.000 2.918 69 T HA 0.625 4.976 4.350 0.003 0.000 0.283 69 T C -0.235 174.553 174.700 0.147 0.000 1.001 69 T CA -0.800 61.455 62.100 0.260 0.000 1.041 69 T CB 1.833 70.830 68.868 0.216 0.000 1.028 69 T HN 0.425 8.665 8.240 -0.000 0.000 0.511 70 K N 0.595 121.069 120.400 0.124 0.000 2.393 70 K HA 0.401 4.723 4.320 0.003 0.000 0.241 70 K C 2.027 178.662 176.600 0.058 0.000 1.055 70 K CA -0.381 55.955 56.287 0.082 0.000 0.951 70 K CB 0.469 33.014 32.500 0.075 0.000 1.285 70 K HN 0.872 9.122 8.250 -0.000 0.000 0.500 71 T N -1.362 113.222 114.554 0.050 0.000 2.746 71 T HA -0.038 4.314 4.350 0.003 0.000 0.267 71 T C -1.125 173.604 174.700 0.049 0.000 1.039 71 T CA 0.806 62.934 62.100 0.046 0.000 1.142 71 T CB -0.923 67.972 68.868 0.045 0.000 0.866 71 T HN 0.368 8.608 8.240 -0.000 0.000 0.444 72 P HA 0.470 4.890 4.420 -0.000 0.000 0.340 72 P C -2.788 174.549 177.300 0.061 0.000 1.327 72 P CA -1.393 61.730 63.100 0.039 0.000 0.823 72 P CB -0.400 31.293 31.700 -0.011 0.000 1.953 73 P HA 0.120 4.540 4.420 -0.000 0.000 0.274 73 P C 0.213 177.576 177.300 0.105 0.000 1.231 73 P CA 0.035 63.179 63.100 0.074 0.000 0.790 73 P CB 0.581 32.321 31.700 0.067 0.000 0.951 74 A N 2.826 125.686 122.820 0.067 0.000 1.933 74 A HA -0.164 4.158 4.320 0.003 0.000 0.218 74 A C 2.228 179.838 177.584 0.044 0.000 1.175 74 A CA 2.181 54.246 52.037 0.046 0.000 0.628 74 A CB -1.740 17.270 19.000 0.016 0.000 0.814 74 A HN 0.664 8.814 8.150 -0.000 0.000 0.444 75 S N -1.668 114.065 115.700 0.054 0.000 2.419 75 S HA -0.240 4.232 4.470 0.003 0.000 0.235 75 S C 1.843 176.489 174.600 0.076 0.000 1.019 75 S CA 1.494 59.721 58.200 0.045 0.000 0.982 75 S CB -0.708 62.520 63.200 0.047 0.000 0.789 75 S HN 0.672 8.982 8.310 -0.000 0.000 0.490 76 Y N 1.902 122.202 120.300 -0.001 0.000 2.269 76 Y HA 0.301 4.854 4.550 0.004 0.000 0.294 76 Y C 1.864 177.767 175.900 0.005 0.000 1.120 76 Y CA 0.833 58.938 58.100 0.007 0.000 1.159 76 Y CB -0.218 38.253 38.460 0.018 0.000 1.024 76 Y HN 0.190 8.470 8.280 -0.000 0.000 0.532 77 L N -0.251 121.004 121.223 0.053 0.000 2.376 77 L HA -0.114 4.228 4.340 0.003 0.000 0.219 77 L C 1.936 178.743 176.870 -0.106 0.000 1.133 77 L CA 0.679 55.505 54.840 -0.023 0.000 0.816 77 L CB -0.294 41.801 42.059 0.061 0.000 0.933 77 L HN 0.295 8.525 8.230 -0.000 0.000 0.449 78 I N -1.183 119.318 120.570 -0.116 0.000 2.333 78 I HA -0.102 4.070 4.170 0.003 0.000 0.246 78 I C 1.678 177.683 176.117 -0.186 0.000 1.106 78 I CA 0.595 61.795 61.300 -0.167 0.000 1.411 78 I CB -0.019 37.904 38.000 -0.127 0.000 1.082 78 I HN 0.143 8.353 8.210 -0.000 0.000 0.420 100 T N 2.932 117.441 114.554 -0.075 0.000 2.747 100 T HA 0.408 4.760 4.350 0.003 0.000 0.301 100 T C -0.043 174.631 174.700 -0.043 0.000 0.952 100 T CA -0.120 61.864 62.100 -0.193 0.000 0.983 100 T CB 0.061 68.847 68.868 -0.137 0.000 0.930 100 T HN 0.690 8.930 8.240 -0.000 0.000 0.494 101 W N 1.980 123.276 121.300 -0.007 0.000 2.283 101 W HA 0.561 5.221 4.660 0.000 0.000 0.604 101 W C 0.361 176.878 176.519 -0.004 0.000 1.554 101 W CA -0.970 56.372 57.345 -0.006 0.000 1.522 101 W CB 0.083 29.539 29.460 -0.007 0.000 3.073 101 W HN 0.128 8.308 8.180 -0.000 0.000 0.751 102 E N 1.326 121.805 120.200 0.464 0.000 2.773 102 E HA -0.050 4.302 4.350 0.003 0.000 0.302 102 E C 1.163 177.936 176.600 0.289 0.000 1.574 102 E CA 0.223 56.789 56.400 0.276 0.000 1.775 102 E CB -0.343 29.484 29.700 0.211 0.000 1.413 102 E HN 0.571 8.931 8.360 -0.000 0.000 0.471 103 Q N -0.397 119.419 119.800 0.025 0.000 2.049 103 Q HA -0.070 4.272 4.340 0.003 0.000 0.198 103 Q C 1.499 177.494 176.000 -0.008 0.000 0.971 103 Q CA 1.168 56.908 55.803 -0.105 0.000 0.833 103 Q CB 0.205 28.666 28.738 -0.461 0.000 0.896 103 Q HN 0.182 8.452 8.270 -0.000 0.000 0.434 104 V N 0.867 120.766 119.914 -0.025 0.000 3.563 104 V HA 0.014 4.136 4.120 0.003 0.000 0.299 104 V C 1.447 177.552 176.094 0.018 0.000 1.290 104 V CA 0.469 62.764 62.300 -0.010 0.000 1.201 104 V CB -0.596 31.211 31.823 -0.027 0.000 1.045 104 V HN 0.288 8.478 8.190 -0.000 0.000 0.425 105 L N -0.295 120.953 121.223 0.042 0.000 2.418 105 L HA 0.144 4.485 4.340 0.003 0.000 0.218 105 L C 2.344 179.240 176.870 0.043 0.000 1.125 105 L CA 1.020 55.887 54.840 0.045 0.000 0.835 105 L CB 0.102 42.197 42.059 0.059 0.000 0.953 105 L HN 0.360 8.590 8.230 -0.000 0.000 0.454 106 E N -0.541 119.688 120.200 0.049 0.000 2.505 106 E HA 0.098 4.450 4.350 0.003 0.000 0.212 106 E C 2.054 178.678 176.600 0.040 0.000 0.825 106 E CA 0.090 56.518 56.400 0.046 0.000 1.333 106 E CB 0.731 30.466 29.700 0.059 0.000 1.319 106 E HN 0.358 8.718 8.360 -0.000 0.000 0.658 107 I N 1.293 121.884 120.570 0.034 0.000 2.315 107 I HA -0.173 3.999 4.170 0.003 0.000 0.248 107 I C 2.444 178.572 176.117 0.018 0.000 1.117 107 I CA 1.135 62.450 61.300 0.024 0.000 1.404 107 I CB -0.161 37.841 38.000 0.003 0.000 1.071 107 I HN 0.016 8.226 8.210 -0.000 0.000 0.419 108 A N 0.716 123.544 122.820 0.014 0.000 1.972 108 A HA -0.186 4.136 4.320 0.003 0.000 0.219 108 A C 2.223 179.816 177.584 0.016 0.000 1.169 108 A CA 1.439 53.483 52.037 0.012 0.000 0.635 108 A CB -0.328 18.677 19.000 0.009 0.000 0.810 108 A HN 0.345 8.495 8.150 -0.000 0.000 0.446 109 K N -0.781 119.631 120.400 0.021 0.000 2.365 109 K HA 0.015 4.337 4.320 0.003 0.000 0.197 109 K C 1.975 178.589 176.600 0.024 0.000 1.042 109 K CA 0.739 57.039 56.287 0.021 0.000 0.987 109 K CB 0.017 32.531 32.500 0.023 0.000 0.779 109 K HN 0.567 8.817 8.250 -0.000 0.000 0.484 110 Q N 0.427 120.244 119.800 0.028 0.000 2.212 110 Q HA 0.019 4.361 4.340 0.003 0.000 0.199 110 Q C 1.179 177.198 176.000 0.031 0.000 0.950 110 Q CA 0.738 56.561 55.803 0.033 0.000 0.863 110 Q CB 0.402 29.165 28.738 0.041 0.000 0.944 110 Q HN 0.035 8.305 8.270 -0.000 0.000 0.465 111 K N 0.197 120.612 120.400 0.026 0.000 2.476 111 K HA 0.132 4.454 4.320 0.003 0.000 0.196 111 K C 1.463 178.075 176.600 0.020 0.000 1.025 111 K CA 0.116 56.417 56.287 0.023 0.000 1.138 111 K CB 0.231 32.742 32.500 0.019 0.000 0.860 111 K HN 0.321 8.571 8.250 -0.000 0.000 0.515 112 M N 1.083 120.695 119.600 0.020 0.000 2.067 112 M HA -0.100 4.382 4.480 0.003 0.000 0.260 112 M C -0.852 175.459 176.300 0.019 0.000 1.069 112 M CA 1.692 57.002 55.300 0.017 0.000 1.117 112 M CB -1.293 31.316 32.600 0.016 0.000 1.334 112 M HN -0.129 8.161 8.290 -0.000 0.000 0.407 113 P HA 0.124 4.544 4.420 -0.000 0.000 0.236 113 P C -0.292 177.024 177.300 0.027 0.000 1.749 113 P CA 0.686 63.800 63.100 0.023 0.000 0.994 113 P CB 0.012 31.727 31.700 0.024 0.000 1.599 114 D N -1.156 119.259 120.400 0.025 0.000 2.135 114 D HA 0.113 4.755 4.640 0.003 0.000 0.318 114 D C 0.350 176.662 176.300 0.021 0.000 1.109 114 D CA 0.177 54.193 54.000 0.026 0.000 0.952 114 D CB 0.496 41.314 40.800 0.029 0.000 1.816 114 D HN 0.083 8.453 8.370 -0.000 0.000 0.528 115 L N 1.947 123.181 121.223 0.018 0.000 2.395 115 L HA 0.262 4.604 4.340 0.003 0.000 0.269 115 L C 1.296 178.173 176.870 0.012 0.000 1.133 115 L CA -0.054 54.794 54.840 0.014 0.000 0.812 115 L CB 0.897 42.963 42.059 0.011 0.000 1.125 115 L HN -0.063 8.167 8.230 -0.000 0.000 0.452 116 N N -0.339 118.367 118.700 0.010 0.000 2.446 116 N HA -0.087 4.655 4.740 0.003 0.000 0.179 116 N C 0.569 176.084 175.510 0.008 0.000 1.054 116 N CA 0.029 53.085 53.050 0.009 0.000 0.905 116 N CB 0.385 38.877 38.487 0.008 0.000 0.973 116 N HN 0.641 9.021 8.380 -0.000 0.000 0.448 117 T N 0.107 114.665 114.554 0.008 0.000 2.867 117 T HA -0.028 4.323 4.350 0.003 0.000 0.297 117 T C 0.571 175.275 174.700 0.007 0.000 0.989 117 T CA -0.105 61.999 62.100 0.007 0.000 1.159 117 T CB 0.396 69.267 68.868 0.006 0.000 0.928 117 T HN 0.244 8.484 8.240 -0.000 0.000 0.538 118 T N 2.296 116.854 114.554 0.007 0.000 3.843 118 T HA 0.353 4.705 4.350 0.003 0.000 0.227 118 T C -0.335 174.369 174.700 0.006 0.000 1.043 118 T CA -0.821 61.283 62.100 0.007 0.000 1.012 118 T CB -0.477 68.395 68.868 0.006 0.000 1.279 118 T HN 0.622 8.862 8.240 -0.000 0.000 0.730 119 D N 0.173 120.578 120.400 0.007 0.000 2.947 119 D HA 0.293 4.935 4.640 0.003 0.000 0.224 119 D C 0.537 176.841 176.300 0.008 0.000 1.230 119 D CA -0.808 53.196 54.000 0.007 0.000 0.871 119 D CB 1.856 42.659 40.800 0.006 0.000 1.671 119 D HN 0.129 8.499 8.370 -0.000 0.000 0.507 120 L N 2.513 123.740 121.223 0.008 0.000 2.217 120 L HA 0.142 4.484 4.340 0.003 0.000 0.211 120 L C 1.566 178.441 176.870 0.009 0.000 1.107 120 L CA 1.345 56.191 54.840 0.009 0.000 0.783 120 L CB 0.142 42.206 42.059 0.009 0.000 0.919 120 L HN 0.566 8.796 8.230 -0.000 0.000 0.442 121 E N -0.384 119.820 120.200 0.008 0.000 2.162 121 E HA 0.110 4.462 4.350 0.003 0.000 0.193 121 E C 0.987 177.591 176.600 0.006 0.000 0.953 121 E CA 0.421 56.825 56.400 0.008 0.000 0.849 121 E CB 0.180 29.884 29.700 0.007 0.000 0.810 121 E HN 0.419 8.779 8.360 -0.000 0.000 0.470 122 A N 0.461 123.284 122.820 0.006 0.000 2.981 122 A HA 0.432 4.754 4.320 0.003 0.000 0.280 122 A C 0.430 178.016 177.584 0.004 0.000 1.743 122 A CA 0.769 52.808 52.037 0.004 0.000 1.430 122 A CB -0.373 18.629 19.000 0.004 0.000 1.085 122 A HN 0.335 8.485 8.150 -0.000 0.000 0.597 123 A N 0.861 123.683 122.820 0.003 0.000 1.827 123 A HA 0.518 4.840 4.320 0.003 0.000 0.196 123 A C 1.843 179.427 177.584 -0.001 0.000 1.833 123 A CA 0.973 53.011 52.037 0.003 0.000 1.363 123 A CB -0.788 18.215 19.000 0.006 0.000 1.439 123 A HN 1.368 9.518 8.150 -0.000 0.000 0.391 124 A N 0.889 123.709 122.820 -0.001 0.000 2.070 124 A HA -0.076 4.245 4.320 0.003 0.000 0.220 124 A C 1.813 179.392 177.584 -0.009 0.000 1.159 124 A CA 1.399 53.433 52.037 -0.005 0.000 0.656 124 A CB -0.519 18.480 19.000 -0.002 0.000 0.800 124 A HN 0.512 8.662 8.150 -0.000 0.000 0.453 125 R N -1.568 118.929 120.500 -0.005 0.000 2.323 125 R HA 0.287 4.629 4.340 0.003 0.000 0.198 125 R C 1.468 177.763 176.300 -0.008 0.000 0.988 125 R CA 0.937 57.033 56.100 -0.006 0.000 1.041 125 R CB -0.142 30.156 30.300 -0.003 0.000 0.926 125 R HN 0.617 8.887 8.270 -0.000 0.000 0.476 126 M N -0.925 118.670 119.600 -0.009 0.000 2.180 126 M HA 0.210 4.691 4.480 0.003 0.000 0.266 126 M C 1.176 177.467 176.300 -0.014 0.000 1.200 126 M CA 0.416 55.710 55.300 -0.010 0.000 1.101 126 M CB 0.698 33.295 32.600 -0.005 0.000 1.769 126 M HN 0.010 8.300 8.290 -0.000 0.000 0.609 127 I N 0.478 121.038 120.570 -0.017 0.000 2.286 127 I HA -0.113 4.059 4.170 0.003 0.000 0.245 127 I C 2.503 178.596 176.117 -0.040 0.000 1.104 127 I CA 1.331 62.616 61.300 -0.025 0.000 1.397 127 I CB -0.454 37.532 38.000 -0.024 0.000 1.072 127 I HN 0.318 8.528 8.210 -0.000 0.000 0.417 128 A N 0.928 123.723 122.820 -0.042 0.000 1.972 128 A HA -0.092 4.230 4.320 0.003 0.000 0.219 128 A C 2.411 179.968 177.584 -0.046 0.000 1.169 128 A CA 1.825 53.829 52.037 -0.054 0.000 0.635 128 A CB -1.345 17.628 19.000 -0.045 0.000 0.810 128 A HN 0.464 8.614 8.150 -0.000 0.000 0.446 129 G N -1.231 107.550 108.800 -0.032 0.000 2.403 129 G HA2 -0.124 3.838 3.960 0.003 0.000 0.216 129 G HA3 -0.124 3.838 3.960 0.003 0.000 0.216 129 G C 1.855 176.739 174.900 -0.027 0.000 1.154 129 G CA 1.278 46.363 45.100 -0.026 0.000 0.784 129 G HN 0.537 8.828 8.290 -0.000 0.000 0.538 130 S N 0.443 116.127 115.700 -0.027 0.000 2.453 130 S HA 0.177 4.649 4.470 0.003 0.000 0.231 130 S C 2.584 177.164 174.600 -0.034 0.000 1.005 130 S CA 1.310 59.495 58.200 -0.025 0.000 0.949 130 S CB -0.274 62.915 63.200 -0.019 0.000 0.774 130 S HN 0.488 8.798 8.310 -0.000 0.000 0.510 131 A N 1.495 124.285 122.820 -0.049 0.000 1.968 131 A HA 0.049 4.371 4.320 0.003 0.000 0.217 131 A C 2.140 179.686 177.584 -0.063 0.000 1.169 131 A CA 0.897 52.893 52.037 -0.069 0.000 0.638 131 A CB -0.429 18.509 19.000 -0.104 0.000 0.812 131 A HN 0.569 8.719 8.150 -0.000 0.000 0.446 132 R N 0.964 121.434 120.500 -0.050 0.000 2.091 132 R HA -0.080 4.262 4.340 0.003 0.000 0.238 132 R C 0.794 177.075 176.300 -0.032 0.000 1.136 132 R CA 1.310 57.386 56.100 -0.041 0.000 0.959 132 R CB -0.378 29.904 30.300 -0.031 0.000 0.856 132 R HN 0.572 8.842 8.270 -0.000 0.000 0.437 133 S N -0.456 115.227 115.700 -0.027 0.000 2.642 133 S HA 0.346 4.818 4.470 0.003 0.000 0.309 133 S C 0.386 174.973 174.600 -0.021 0.000 1.125 133 S CA -0.473 57.714 58.200 -0.020 0.000 1.055 133 S CB 1.233 64.424 63.200 -0.015 0.000 1.157 133 S HN 0.241 8.551 8.310 -0.000 0.000 0.513 134 M N 2.340 121.926 119.600 -0.022 0.000 1.681 134 M HA 0.297 4.779 4.480 0.003 0.000 0.257 134 M C 0.446 176.735 176.300 -0.017 0.000 0.989 134 M CA 0.321 55.609 55.300 -0.021 0.000 0.992 134 M CB 0.656 33.236 32.600 -0.032 0.000 1.904 134 M HN 0.719 9.009 8.290 -0.000 0.000 0.692 135 G N 1.046 109.835 108.800 -0.017 0.000 2.416 135 G HA2 0.592 4.554 3.960 0.003 0.000 0.324 135 G HA3 0.592 4.554 3.960 0.003 0.000 0.324 135 G C -1.461 173.422 174.900 -0.028 0.000 1.194 135 G CA -0.339 44.748 45.100 -0.022 0.000 0.922 135 G HN 0.020 8.310 8.290 -0.000 0.000 0.467 136 V N 2.801 122.691 119.914 -0.041 0.000 2.409 136 V HA 0.380 4.502 4.120 0.003 0.000 0.291 136 V C 0.034 176.099 176.094 -0.048 0.000 1.020 136 V CA -0.646 61.621 62.300 -0.054 0.000 0.848 136 V CB 1.258 33.026 31.823 -0.091 0.000 0.990 136 V HN 0.836 9.026 8.190 -0.000 0.000 0.430 137 E N 0.000 120.181 120.200 -0.032 0.000 2.725 137 E HA 0.000 4.352 4.350 0.003 0.000 0.291 137 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 137 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 137 E HN 0.000 8.360 8.360 -0.000 0.000 0.440