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 3p2a_1_D DATA FIRST_RESID 0 DATA SEQUENCE AXNTVCTACX ATNRLPEERI DDGAKCGRCG HSLFDGEVIN ATAETLDKLL DATA SEQUENCE QDDLPXVIDF WAPWCGPCRS FAPIFAETAA ERAGKVRFVK VNTEAEPALS DATA SEQUENCE TRFRIRSIPT IXLYRNGKXI DXLNGAVPKA PFDNWLDEQL SR 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 0 A HA 0.000 4.320 4.320 0.000 0.000 0.244 0 A C 0.000 177.600 177.584 0.026 0.000 1.274 0 A CA 0.000 52.050 52.037 0.022 0.000 0.836 0 A CB 0.000 19.012 19.000 0.020 0.000 0.831 3 T N -0.108 114.471 114.554 0.042 0.000 2.900 3 T HA 0.655 5.006 4.350 0.001 0.000 0.303 3 T C -1.388 173.315 174.700 0.005 0.000 1.142 3 T CA -0.372 61.752 62.100 0.040 0.000 1.007 3 T CB 1.288 70.196 68.868 0.067 0.000 1.156 3 T HN 0.089 8.329 8.240 0.000 0.000 0.490 4 V N 2.820 122.736 119.914 0.004 0.000 2.427 4 V HA 0.381 4.502 4.120 0.001 0.000 0.286 4 V C 0.796 176.876 176.094 -0.023 0.000 1.034 4 V CA -0.999 61.298 62.300 -0.005 0.000 0.893 4 V CB 1.113 32.942 31.823 0.010 0.000 0.982 4 V HN 1.097 9.287 8.190 0.000 0.000 0.452 5 C N 4.255 123.541 119.300 -0.024 0.000 2.627 5 C HA 0.164 4.625 4.460 0.001 0.000 0.404 5 C C 2.000 176.980 174.990 -0.016 0.000 1.340 5 C CA 0.311 59.321 59.018 -0.013 0.000 1.758 5 C CB -0.148 27.588 27.740 -0.006 0.000 2.501 5 C HN 1.030 9.260 8.230 0.000 0.000 0.588 6 T N 3.873 118.431 114.554 0.006 0.000 3.113 6 T HA 0.060 4.410 4.350 0.001 0.000 0.263 6 T C 1.499 176.119 174.700 -0.134 0.000 1.143 6 T CA 1.533 63.620 62.100 -0.021 0.000 1.090 6 T CB 0.029 68.930 68.868 0.055 0.000 0.922 6 T HN 0.929 9.169 8.240 0.000 0.000 0.521 7 A N -0.206 122.464 122.820 -0.250 0.000 1.984 7 A HA 0.311 4.632 4.320 0.001 0.000 0.203 7 A C 1.442 178.925 177.584 -0.168 0.000 1.292 7 A CA 0.412 52.244 52.037 -0.343 0.000 0.782 7 A CB -0.268 18.300 19.000 -0.720 0.000 0.924 7 A HN 0.670 8.820 8.150 0.000 0.000 0.475 11 T N 2.969 117.522 114.554 -0.002 0.000 2.884 11 T HA 0.401 4.752 4.350 0.001 0.000 0.298 11 T C -0.022 174.677 174.700 -0.002 0.000 0.998 11 T CA -0.113 61.987 62.100 0.001 0.000 1.124 11 T CB 0.157 69.030 68.868 0.008 0.000 0.931 11 T HN 0.517 8.757 8.240 0.000 0.000 0.531 12 N N 2.515 121.212 118.700 -0.004 0.000 2.448 12 N HA 0.227 4.968 4.740 0.001 0.000 0.279 12 N C -0.709 174.807 175.510 0.010 0.000 1.025 12 N CA -0.585 52.462 53.050 -0.006 0.000 0.898 12 N CB 2.363 40.832 38.487 -0.030 0.000 1.303 12 N HN 0.454 8.834 8.380 0.000 0.000 0.495 13 R N 3.357 123.866 120.500 0.015 0.000 2.265 13 R HA 0.492 4.833 4.340 0.001 0.000 0.314 13 R C -0.819 175.500 176.300 0.032 0.000 1.053 13 R CA -0.114 56.002 56.100 0.025 0.000 0.931 13 R CB 0.605 30.918 30.300 0.021 0.000 1.024 13 R HN 0.488 8.758 8.270 0.000 0.000 0.457 14 L N 5.298 126.549 121.223 0.047 0.000 2.350 14 L HA 0.580 4.921 4.340 0.001 0.000 0.260 14 L C -2.016 174.885 176.870 0.052 0.000 1.015 14 L CA -2.465 52.411 54.840 0.060 0.000 0.821 14 L CB 2.283 44.404 42.059 0.104 0.000 1.370 14 L HN 0.610 8.840 8.230 0.000 0.000 0.416 15 P HA 0.030 4.450 4.420 0.000 0.000 0.269 15 P C 0.013 177.333 177.300 0.033 0.000 1.209 15 P CA -0.081 63.038 63.100 0.032 0.000 0.776 15 P CB 1.148 32.863 31.700 0.025 0.000 0.876 16 E N 0.813 121.026 120.200 0.023 0.000 2.150 16 E HA -0.123 4.227 4.350 0.001 0.000 0.193 16 E C -0.109 176.494 176.600 0.005 0.000 0.985 16 E CA 0.823 57.234 56.400 0.018 0.000 0.814 16 E CB 0.292 30.000 29.700 0.013 0.000 0.752 16 E HN 0.560 8.920 8.360 0.000 0.000 0.466 17 E N 0.926 121.126 120.200 0.000 0.000 2.133 17 E HA 0.226 4.577 4.350 0.001 0.000 0.274 17 E C -0.606 175.990 176.600 -0.006 0.000 0.930 17 E CA -0.547 55.846 56.400 -0.011 0.000 0.770 17 E CB 1.572 31.264 29.700 -0.013 0.000 1.104 17 E HN 0.132 8.492 8.360 0.000 0.000 0.403 18 R N 3.073 123.564 120.500 -0.015 0.000 2.787 18 R HA 0.470 4.811 4.340 0.001 0.000 0.271 18 R C 0.459 176.750 176.300 -0.014 0.000 0.993 18 R CA -0.746 55.352 56.100 -0.003 0.000 0.993 18 R CB 0.871 31.177 30.300 0.011 0.000 1.155 18 R HN 0.464 8.734 8.270 0.000 0.000 0.486 19 I N 0.220 120.789 120.570 -0.002 0.000 2.163 19 I HA -0.184 3.987 4.170 0.001 0.000 0.240 19 I C 0.205 176.313 176.117 -0.015 0.000 1.081 19 I CA 1.454 62.749 61.300 -0.007 0.000 1.353 19 I CB -0.609 37.391 38.000 0.001 0.000 1.054 19 I HN 0.752 8.962 8.210 0.000 0.000 0.407 20 D N -1.350 119.046 120.400 -0.007 0.000 2.714 20 D HA 0.227 4.868 4.640 0.001 0.000 0.278 20 D C -0.658 175.633 176.300 -0.015 0.000 1.102 20 D CA -0.610 53.382 54.000 -0.013 0.000 1.108 20 D CB 0.544 41.347 40.800 0.006 0.000 1.444 20 D HN -0.186 8.184 8.370 0.000 0.000 0.568 21 D N -1.335 119.057 120.400 -0.013 0.000 2.491 21 D HA 0.244 4.885 4.640 0.001 0.000 0.228 21 D C 1.121 177.568 176.300 0.245 0.000 1.183 21 D CA -0.028 53.986 54.000 0.024 0.000 0.827 21 D CB 0.418 41.144 40.800 -0.124 0.000 0.989 21 D HN 0.555 8.925 8.370 0.000 0.000 0.494 22 G N -0.004 108.886 108.800 0.149 0.000 3.042 22 G HA2 0.251 4.212 3.960 0.001 0.000 0.212 22 G HA3 0.251 4.212 3.960 0.001 0.000 0.212 22 G C 0.812 175.757 174.900 0.076 0.000 1.166 22 G CA -0.017 45.142 45.100 0.099 0.000 0.767 22 G HN 0.314 8.604 8.290 0.000 0.000 0.546 23 A N 1.166 124.061 122.820 0.125 0.000 2.565 23 A HA 0.428 4.749 4.320 0.001 0.000 0.237 23 A C 0.317 177.866 177.584 -0.058 0.000 1.053 23 A CA 0.356 52.417 52.037 0.040 0.000 0.755 23 A CB 0.334 19.378 19.000 0.074 0.000 0.980 23 A HN 0.197 8.347 8.150 0.000 0.000 0.506 24 K N 1.998 122.368 120.400 -0.051 0.000 2.221 24 K HA 0.320 4.641 4.320 0.001 0.000 0.258 24 K C -0.089 176.480 176.600 -0.053 0.000 0.944 24 K CA -0.587 55.659 56.287 -0.069 0.000 0.823 24 K CB 1.261 33.736 32.500 -0.042 0.000 1.113 24 K HN 0.734 8.984 8.250 0.000 0.000 0.431 25 C N 2.371 121.643 119.300 -0.047 0.000 2.431 25 C HA -0.001 4.460 4.460 0.001 0.000 0.397 25 C C 2.043 177.027 174.990 -0.010 0.000 1.436 25 C CA 0.841 59.846 59.018 -0.021 0.000 1.596 25 C CB -1.021 26.729 27.740 0.017 0.000 2.550 25 C HN 0.971 9.201 8.230 0.000 0.000 0.596 26 G N 4.050 112.844 108.800 -0.011 0.000 2.572 26 G HA2 -0.098 3.863 3.960 0.001 0.000 0.216 26 G HA3 -0.098 3.863 3.960 0.001 0.000 0.216 26 G C 1.690 176.590 174.900 -0.001 0.000 1.133 26 G CA 0.614 45.712 45.100 -0.004 0.000 0.791 26 G HN 0.887 9.177 8.290 0.000 0.000 0.538 27 R N -0.370 120.130 120.500 -0.000 0.000 2.128 27 R HA 0.051 4.392 4.340 0.001 0.000 0.211 27 R C 2.041 178.343 176.300 0.004 0.000 1.067 27 R CA 1.491 57.592 56.100 0.001 0.000 1.010 27 R CB -0.156 30.142 30.300 -0.002 0.000 0.922 27 R HN 0.401 8.671 8.270 0.000 0.000 0.457 28 C N -2.383 116.923 119.300 0.011 0.000 3.642 28 C HA 0.568 5.029 4.460 0.001 0.000 0.305 28 C C 1.265 176.276 174.990 0.035 0.000 1.492 28 C CA 0.008 59.037 59.018 0.018 0.000 1.809 28 C CB 0.263 28.009 27.740 0.011 0.000 2.639 28 C HN 0.627 8.857 8.230 0.000 0.000 0.672 29 G N 1.050 109.868 108.800 0.031 0.000 2.162 29 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 29 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 29 G C 0.014 174.939 174.900 0.041 0.000 0.976 29 G CA 0.645 45.760 45.100 0.024 0.000 0.655 29 G HN 1.018 9.308 8.290 0.000 0.000 0.533 30 H N 1.213 120.258 119.070 -0.042 0.000 2.683 30 H HA 0.446 5.002 4.556 0.001 0.000 0.339 30 H C 0.386 175.673 175.328 -0.069 0.000 1.081 30 H CA 0.359 56.378 56.048 -0.048 0.000 1.432 30 H CB 0.607 30.339 29.762 -0.049 0.000 1.462 30 H HN 0.156 8.436 8.280 0.000 0.000 0.557 31 S N 6.074 121.407 115.700 -0.611 0.000 2.555 31 S HA -0.033 4.438 4.470 0.001 0.000 0.293 31 S C 1.842 176.160 174.600 -0.471 0.000 1.248 31 S CA -0.373 57.563 58.200 -0.440 0.000 1.096 31 S CB 0.136 63.123 63.200 -0.354 0.000 0.881 31 S HN 0.576 8.886 8.310 0.000 0.000 0.498 32 L N 2.139 123.124 121.223 -0.396 0.000 2.362 32 L HA 0.038 4.379 4.340 0.001 0.000 0.219 32 L C -0.023 176.353 176.870 -0.822 0.000 1.134 32 L CA 0.955 55.437 54.840 -0.597 0.000 0.807 32 L CB -0.207 41.376 42.059 -0.792 0.000 0.927 32 L HN 0.573 8.803 8.230 0.000 0.000 0.447 33 F N -0.528 119.390 119.950 -0.054 0.000 2.542 33 F HA 0.147 4.674 4.527 0.001 0.000 0.323 33 F C 0.836 176.601 175.800 -0.058 0.000 1.411 33 F CA -1.457 56.522 58.000 -0.035 0.000 1.124 33 F CB -0.118 38.864 39.000 -0.029 0.000 1.331 33 F HN -0.019 8.281 8.300 0.000 0.000 0.560 34 D N -0.830 119.588 120.400 0.030 0.000 2.355 34 D HA 0.092 4.733 4.640 0.001 0.000 0.218 34 D C 1.919 178.228 176.300 0.015 0.000 1.004 34 D CA 0.871 54.866 54.000 -0.008 0.000 0.880 34 D CB 0.008 40.770 40.800 -0.063 0.000 0.911 34 D HN 0.478 8.848 8.370 0.000 0.000 0.528 35 G N -0.154 108.669 108.800 0.039 0.000 2.155 35 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 35 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 35 G C -0.072 174.791 174.900 -0.061 0.000 0.983 35 G CA 0.214 45.302 45.100 -0.021 0.000 0.676 35 G HN 0.392 8.682 8.290 0.000 0.000 0.528 36 E N 0.077 120.272 120.200 -0.008 0.000 2.313 36 E HA 0.459 4.810 4.350 0.001 0.000 0.272 36 E C 1.100 177.706 176.600 0.011 0.000 1.038 36 E CA -0.115 56.280 56.400 -0.008 0.000 0.863 36 E CB 1.929 31.648 29.700 0.032 0.000 1.060 36 E HN 0.827 9.187 8.360 0.000 0.000 0.402 37 V N -0.032 119.886 119.914 0.007 0.000 2.715 37 V HA 0.310 4.431 4.120 0.001 0.000 0.299 37 V C 0.246 176.397 176.094 0.096 0.000 1.054 37 V CA -0.407 61.940 62.300 0.079 0.000 1.077 37 V CB 0.136 32.031 31.823 0.120 0.000 0.972 37 V HN 0.449 8.639 8.190 0.000 0.000 0.484 38 I N 3.921 124.569 120.570 0.130 0.000 2.362 38 I HA 0.397 4.568 4.170 0.001 0.000 0.289 38 I C -0.045 176.128 176.117 0.093 0.000 0.994 38 I CA -0.184 61.170 61.300 0.091 0.000 1.158 38 I CB 1.135 39.182 38.000 0.079 0.000 1.315 38 I HN 0.686 8.896 8.210 0.000 0.000 0.451 39 N N 5.309 124.054 118.700 0.074 0.000 2.406 39 N HA 0.513 5.253 4.740 0.001 0.000 0.251 39 N C -0.377 175.158 175.510 0.043 0.000 1.069 39 N CA -0.245 52.855 53.050 0.084 0.000 0.947 39 N CB 1.090 39.637 38.487 0.100 0.000 1.111 39 N HN 0.710 9.090 8.380 0.000 0.000 0.497 40 A N 1.852 124.682 122.820 0.017 0.000 2.293 40 A HA 0.683 5.004 4.320 0.001 0.000 0.302 40 A C 0.520 178.096 177.584 -0.013 0.000 1.119 40 A CA -0.473 51.556 52.037 -0.013 0.000 0.823 40 A CB 0.518 19.484 19.000 -0.057 0.000 1.097 40 A HN 0.594 8.744 8.150 0.000 0.000 0.491 41 T N -2.449 112.101 114.554 -0.006 0.000 2.858 41 T HA 0.620 4.971 4.350 0.001 0.000 0.285 41 T C 1.124 175.830 174.700 0.011 0.000 1.052 41 T CA 0.046 62.146 62.100 0.000 0.000 1.009 41 T CB 1.185 70.056 68.868 0.004 0.000 1.241 41 T HN 1.360 9.600 8.240 0.000 0.000 0.542 42 A N 0.199 123.032 122.820 0.021 0.000 1.978 42 A HA -0.056 4.265 4.320 0.001 0.000 0.220 42 A C 1.967 179.570 177.584 0.030 0.000 1.170 42 A CA 1.868 53.927 52.037 0.036 0.000 0.636 42 A CB -1.108 17.913 19.000 0.035 0.000 0.810 42 A HN 0.866 9.016 8.150 0.000 0.000 0.448 43 E N -0.781 119.431 120.200 0.018 0.000 2.216 43 E HA -0.053 4.298 4.350 0.001 0.000 0.192 43 E C 2.059 178.667 176.600 0.013 0.000 0.988 43 E CA 1.582 57.991 56.400 0.015 0.000 0.834 43 E CB -0.232 29.473 29.700 0.008 0.000 0.772 43 E HN 0.833 9.193 8.360 0.000 0.000 0.479 44 T N -2.279 112.281 114.554 0.010 0.000 2.978 44 T HA 0.105 4.456 4.350 0.001 0.000 0.248 44 T C 1.675 176.380 174.700 0.008 0.000 1.018 44 T CA -0.181 61.922 62.100 0.006 0.000 1.026 44 T CB -0.231 68.636 68.868 -0.002 0.000 1.032 44 T HN 0.038 8.278 8.240 0.000 0.000 0.485 45 L N 2.444 123.674 121.223 0.011 0.000 2.043 45 L HA -0.072 4.269 4.340 0.001 0.000 0.212 45 L C 1.930 178.813 176.870 0.021 0.000 1.075 45 L CA 1.971 56.813 54.840 0.003 0.000 0.752 45 L CB -0.837 41.228 42.059 0.009 0.000 0.891 45 L HN 0.212 8.442 8.230 0.000 0.000 0.432 46 D N -0.622 119.804 120.400 0.043 0.000 2.117 46 D HA -0.192 4.449 4.640 0.001 0.000 0.198 46 D C 2.067 178.386 176.300 0.031 0.000 0.982 46 D CA 1.391 55.419 54.000 0.047 0.000 0.828 46 D CB 0.090 40.920 40.800 0.050 0.000 0.967 46 D HN 0.404 8.774 8.370 0.000 0.000 0.464 47 K N 0.631 121.044 120.400 0.023 0.000 2.044 47 K HA -0.128 4.193 4.320 0.001 0.000 0.210 47 K C 2.342 178.952 176.600 0.016 0.000 1.049 47 K CA 0.801 57.099 56.287 0.018 0.000 0.927 47 K CB -0.263 32.243 32.500 0.011 0.000 0.713 47 K HN 0.098 8.348 8.250 0.000 0.000 0.443 48 L N 0.713 121.943 121.223 0.011 0.000 2.127 48 L HA -0.177 4.164 4.340 0.001 0.000 0.211 48 L C 2.077 178.956 176.870 0.015 0.000 1.089 48 L CA 0.980 55.826 54.840 0.010 0.000 0.757 48 L CB -0.303 41.757 42.059 0.000 0.000 0.899 48 L HN 0.186 8.416 8.230 0.000 0.000 0.434 49 L N -0.752 120.477 121.223 0.011 0.000 2.554 49 L HA -0.078 4.263 4.340 0.001 0.000 0.226 49 L C 2.326 179.226 176.870 0.050 0.000 1.137 49 L CA 0.065 54.914 54.840 0.015 0.000 0.863 49 L CB -0.263 41.786 42.059 -0.017 0.000 0.985 49 L HN 0.316 8.546 8.230 0.000 0.000 0.451 50 Q N -0.453 119.373 119.800 0.044 0.000 2.297 50 Q HA -0.060 4.281 4.340 0.001 0.000 0.204 50 Q C 0.603 176.633 176.000 0.051 0.000 0.962 50 Q CA 0.454 56.286 55.803 0.048 0.000 0.879 50 Q CB -0.379 28.381 28.738 0.037 0.000 0.947 50 Q HN 0.409 8.679 8.270 0.000 0.000 0.462 51 D N 1.261 121.691 120.400 0.050 0.000 2.515 51 D HA -0.123 4.518 4.640 0.001 0.000 0.230 51 D C 0.177 176.516 176.300 0.065 0.000 1.181 51 D CA 0.445 54.478 54.000 0.055 0.000 0.875 51 D CB 0.749 41.585 40.800 0.059 0.000 1.213 51 D HN -0.053 8.317 8.370 0.000 0.000 0.478 52 D N 1.241 121.681 120.400 0.067 0.000 2.333 52 D HA 0.089 4.730 4.640 0.001 0.000 0.208 52 D C 0.293 176.634 176.300 0.069 0.000 0.984 52 D CA 0.137 54.176 54.000 0.065 0.000 0.873 52 D CB 0.142 40.977 40.800 0.058 0.000 0.935 52 D HN 0.336 8.706 8.370 0.000 0.000 0.521 53 L N 1.582 122.856 121.223 0.085 0.000 2.452 53 L HA 0.216 4.557 4.340 0.001 0.000 0.267 53 L C -1.729 175.182 176.870 0.068 0.000 1.188 53 L CA -1.646 53.244 54.840 0.082 0.000 0.821 53 L CB -0.042 42.088 42.059 0.119 0.000 1.102 53 L HN -0.185 8.045 8.230 0.000 0.000 0.470 57 I N 3.082 123.809 120.570 0.261 0.000 2.389 57 I HA 0.487 4.658 4.170 0.001 0.000 0.288 57 I C -0.933 175.195 176.117 0.018 0.000 0.999 57 I CA -0.315 61.028 61.300 0.071 0.000 1.129 57 I CB 1.941 39.842 38.000 -0.166 0.000 1.288 57 I HN 0.645 8.855 8.210 0.000 0.000 0.444 58 D N 7.119 127.408 120.400 -0.185 0.000 2.412 58 D HA 0.272 4.913 4.640 0.001 0.000 0.224 58 D C -0.969 175.222 176.300 -0.182 0.000 1.093 58 D CA -0.277 53.522 54.000 -0.335 0.000 0.850 58 D CB 0.420 40.583 40.800 -1.063 0.000 1.046 58 D HN 0.123 8.493 8.370 0.000 0.000 0.507 59 F N 5.198 125.149 119.950 0.003 0.000 2.413 59 F HA 0.327 4.855 4.527 0.001 0.000 0.359 59 F C 0.471 176.326 175.800 0.091 0.000 1.122 59 F CA -0.515 57.498 58.000 0.022 0.000 1.160 59 F CB 0.423 39.398 39.000 -0.042 0.000 1.146 59 F HN 0.307 8.607 8.300 0.000 0.000 0.514 60 W N 2.430 123.732 121.300 0.004 0.000 3.205 60 W HA 0.920 5.581 4.660 0.001 0.000 0.336 60 W C -1.761 174.760 176.519 0.002 0.000 1.171 60 W CA -1.762 55.569 57.345 -0.023 0.000 1.035 60 W CB 1.236 30.649 29.460 -0.078 0.000 1.500 60 W HN 0.578 8.758 8.180 0.000 0.000 0.602 61 A N 1.731 124.579 122.820 0.047 0.000 2.587 61 A HA 0.765 5.086 4.320 0.001 0.000 0.293 61 A C -2.796 174.797 177.584 0.015 0.000 1.087 61 A CA -1.412 50.477 52.037 -0.246 0.000 0.692 61 A CB 1.329 20.288 19.000 -0.069 0.000 1.291 61 A HN 0.328 8.478 8.150 0.000 0.000 0.407 62 P HA 0.112 4.532 4.420 0.000 0.000 0.272 62 P C -0.415 177.000 177.300 0.191 0.000 1.230 62 P CA 0.302 63.400 63.100 -0.003 0.000 0.788 62 P CB 0.200 31.774 31.700 -0.209 0.000 0.949 63 W N -1.068 120.297 121.300 0.108 0.000 6.544 63 W HA -0.142 4.519 4.660 0.001 0.000 0.423 63 W C -0.235 176.322 176.519 0.064 0.000 1.688 63 W CA -0.049 57.337 57.345 0.068 0.000 1.082 63 W CB -1.981 27.503 29.460 0.039 0.000 2.917 63 W HN 0.483 8.663 8.180 0.000 0.000 1.481 64 C N 0.705 120.145 119.300 0.232 0.000 2.919 64 C HA 0.519 4.979 4.460 0.001 0.000 0.337 64 C C 1.827 176.892 174.990 0.125 0.000 1.039 64 C CA 0.238 59.358 59.018 0.169 0.000 1.373 64 C CB -0.173 27.671 27.740 0.173 0.000 1.843 64 C HN 0.764 8.994 8.230 0.000 0.000 0.493 65 G N 5.714 114.576 108.800 0.104 0.000 2.808 65 G HA2 -0.236 3.724 3.960 0.001 0.000 0.225 65 G HA3 -0.236 3.724 3.960 0.001 0.000 0.225 65 G C -0.708 174.225 174.900 0.055 0.000 1.210 65 G CA 1.966 47.109 45.100 0.072 0.000 0.777 65 G HN 0.609 8.899 8.290 0.000 0.000 0.640 66 P HA 0.041 4.461 4.420 0.000 0.000 0.221 66 P C 1.831 179.157 177.300 0.044 0.000 1.150 66 P CA 0.901 64.016 63.100 0.026 0.000 0.800 66 P CB -0.123 31.571 31.700 -0.010 0.000 0.787 67 C N -0.844 118.496 119.300 0.066 0.000 2.446 67 C HA -0.034 4.427 4.460 0.001 0.000 0.277 67 C C 2.666 177.671 174.990 0.025 0.000 1.275 67 C CA 0.557 59.625 59.018 0.084 0.000 1.727 67 C CB -1.409 26.451 27.740 0.200 0.000 2.010 67 C HN 0.255 8.485 8.230 0.000 0.000 0.486 68 R N 1.597 122.111 120.500 0.022 0.000 2.073 68 R HA -0.141 4.200 4.340 0.001 0.000 0.234 68 R C 2.457 178.743 176.300 -0.023 0.000 1.134 68 R CA 2.057 58.142 56.100 -0.025 0.000 0.952 68 R CB -0.532 29.767 30.300 -0.001 0.000 0.850 68 R HN 0.708 8.978 8.270 0.000 0.000 0.433 69 S N -0.086 115.626 115.700 0.019 0.000 2.428 69 S HA -0.114 4.357 4.470 0.001 0.000 0.230 69 S C 1.762 176.391 174.600 0.049 0.000 1.014 69 S CA 0.644 58.859 58.200 0.025 0.000 0.957 69 S CB -0.316 62.908 63.200 0.040 0.000 0.784 69 S HN 0.295 8.605 8.310 0.000 0.000 0.499 70 F N 2.738 122.623 119.950 -0.108 0.000 2.367 70 F HA 0.356 4.884 4.527 0.001 0.000 0.298 70 F C 2.439 178.158 175.800 -0.135 0.000 1.094 70 F CA 0.029 57.943 58.000 -0.143 0.000 1.409 70 F CB -0.780 38.100 39.000 -0.200 0.000 1.064 70 F HN 0.276 8.576 8.300 0.000 0.000 0.528 71 A N 1.087 123.814 122.820 -0.156 0.000 1.917 71 A HA -0.172 4.149 4.320 0.001 0.000 0.219 71 A C -0.246 177.215 177.584 -0.205 0.000 1.182 71 A CA 2.060 53.956 52.037 -0.235 0.000 0.633 71 A CB -2.145 16.685 19.000 -0.284 0.000 0.819 71 A HN 0.348 8.498 8.150 0.000 0.000 0.448 72 P HA -0.035 4.385 4.420 0.000 0.000 0.219 72 P C 1.342 178.535 177.300 -0.179 0.000 1.150 72 P CA 0.681 63.692 63.100 -0.148 0.000 0.814 72 P CB -0.119 31.516 31.700 -0.109 0.000 0.787 73 I N -1.866 118.540 120.570 -0.273 0.000 2.163 73 I HA -0.263 3.908 4.170 0.001 0.000 0.243 73 I C 2.241 178.181 176.117 -0.294 0.000 1.085 73 I CA 1.452 62.567 61.300 -0.308 0.000 1.347 73 I CB -0.594 37.140 38.000 -0.443 0.000 1.044 73 I HN -0.144 8.066 8.210 0.000 0.000 0.408 74 F N 1.519 121.054 119.950 -0.691 0.000 2.075 74 F HA -0.244 4.284 4.527 0.001 0.000 0.297 74 F C 2.507 178.208 175.800 -0.165 0.000 1.113 74 F CA 1.476 59.269 58.000 -0.345 0.000 1.218 74 F CB -0.539 38.237 39.000 -0.373 0.000 0.984 74 F HN 0.014 8.314 8.300 0.000 0.000 0.472 75 A N -0.264 122.504 122.820 -0.087 0.000 1.883 75 A HA -0.282 4.039 4.320 0.001 0.000 0.217 75 A C 2.257 179.695 177.584 -0.243 0.000 1.186 75 A CA 1.978 53.914 52.037 -0.168 0.000 0.624 75 A CB -1.111 17.827 19.000 -0.104 0.000 0.822 75 A HN 0.570 8.720 8.150 0.000 0.000 0.444 76 E N -0.731 119.356 120.200 -0.189 0.000 2.051 76 E HA -0.171 4.180 4.350 0.001 0.000 0.192 76 E C 1.971 178.435 176.600 -0.228 0.000 0.991 76 E CA 1.741 58.039 56.400 -0.169 0.000 0.799 76 E CB -0.216 29.420 29.700 -0.107 0.000 0.748 76 E HN 0.570 8.930 8.360 0.000 0.000 0.449 77 T N 0.887 115.300 114.554 -0.235 0.000 2.759 77 T HA -0.140 4.211 4.350 0.001 0.000 0.269 77 T C 1.916 176.134 174.700 -0.803 0.000 1.042 77 T CA 1.257 63.170 62.100 -0.311 0.000 1.140 77 T CB -0.361 68.488 68.868 -0.031 0.000 0.864 77 T HN 0.348 8.588 8.240 0.000 0.000 0.455 78 A N 1.672 123.743 122.820 -1.249 0.000 1.908 78 A HA 0.063 4.383 4.320 0.001 0.000 0.218 78 A C 2.688 179.909 177.584 -0.604 0.000 1.181 78 A CA 1.973 53.140 52.037 -1.450 0.000 0.627 78 A CB -1.192 17.210 19.000 -0.998 0.000 0.818 78 A HN 0.536 8.686 8.150 0.000 0.000 0.445 79 A N -0.218 122.369 122.820 -0.388 0.000 1.933 79 A HA -0.163 4.157 4.320 0.001 0.000 0.218 79 A C 1.866 179.341 177.584 -0.182 0.000 1.175 79 A CA 1.610 53.517 52.037 -0.218 0.000 0.628 79 A CB -0.517 18.388 19.000 -0.160 0.000 0.814 79 A HN 0.659 8.809 8.150 0.000 0.000 0.444 80 E N -0.733 119.344 120.200 -0.204 0.000 2.274 80 E HA -0.084 4.267 4.350 0.001 0.000 0.194 80 E C 1.312 177.836 176.600 -0.127 0.000 0.996 80 E CA 0.680 56.995 56.400 -0.142 0.000 0.840 80 E CB -0.029 29.597 29.700 -0.122 0.000 0.772 80 E HN 0.529 8.889 8.360 0.000 0.000 0.491 81 R N -0.166 120.235 120.500 -0.165 0.000 2.546 81 R HA 0.302 4.643 4.340 0.001 0.000 0.320 81 R C 1.642 177.916 176.300 -0.042 0.000 1.021 81 R CA 0.257 56.310 56.100 -0.078 0.000 1.088 81 R CB 0.578 30.884 30.300 0.011 0.000 1.278 81 R HN 0.017 8.287 8.270 0.000 0.000 0.557 82 A N 1.018 123.798 122.820 -0.066 0.000 2.001 82 A HA -0.230 4.090 4.320 0.001 0.000 0.224 82 A C 2.000 179.618 177.584 0.057 0.000 1.203 82 A CA 2.214 54.256 52.037 0.009 0.000 0.667 82 A CB -0.713 18.291 19.000 0.007 0.000 0.823 82 A HN 0.479 8.629 8.150 0.000 0.000 0.473 83 G N -2.431 106.307 108.800 -0.103 0.000 3.088 83 G HA2 0.241 4.202 3.960 0.001 0.000 0.217 83 G HA3 0.241 4.202 3.960 0.001 0.000 0.217 83 G C 1.267 175.992 174.900 -0.291 0.000 1.159 83 G CA 0.584 45.450 45.100 -0.390 0.000 0.760 83 G HN 0.547 8.837 8.290 0.000 0.000 0.550 84 K N -0.799 119.554 120.400 -0.079 0.000 2.504 84 K HA 0.287 4.608 4.320 0.001 0.000 0.203 84 K C -0.386 176.245 176.600 0.052 0.000 1.350 84 K CA 0.253 56.520 56.287 -0.033 0.000 0.953 84 K CB 1.808 34.282 32.500 -0.044 0.000 1.243 84 K HN 0.106 8.356 8.250 0.000 0.000 0.534 85 V N 2.453 122.449 119.914 0.136 0.000 2.888 85 V HA 0.355 4.476 4.120 0.001 0.000 0.309 85 V C -0.816 175.453 176.094 0.293 0.000 1.114 85 V CA -1.043 61.356 62.300 0.166 0.000 0.940 85 V CB 2.389 34.297 31.823 0.143 0.000 1.021 85 V HN 0.119 8.309 8.190 0.000 0.000 0.426 86 R N 2.632 123.235 120.500 0.172 0.000 2.368 86 R HA 0.590 4.931 4.340 0.001 0.000 0.302 86 R C -1.424 174.946 176.300 0.116 0.000 1.002 86 R CA -0.266 55.968 56.100 0.222 0.000 0.929 86 R CB 1.342 31.724 30.300 0.136 0.000 1.073 86 R HN 0.573 8.843 8.270 0.000 0.000 0.464 87 F N 2.074 121.994 119.950 -0.049 0.000 2.388 87 F HA 0.327 4.855 4.527 0.001 0.000 0.358 87 F C 0.086 175.934 175.800 0.080 0.000 1.122 87 F CA -0.899 57.022 58.000 -0.131 0.000 1.056 87 F CB 1.577 40.233 39.000 -0.574 0.000 1.155 87 F HN 0.048 8.348 8.300 0.000 0.000 0.461 88 V N 4.048 124.157 119.914 0.325 0.000 2.680 88 V HA 0.467 4.588 4.120 0.001 0.000 0.309 88 V C -0.486 175.753 176.094 0.241 0.000 1.052 88 V CA -1.164 61.269 62.300 0.221 0.000 0.908 88 V CB 2.242 34.095 31.823 0.050 0.000 1.001 88 V HN 0.611 8.801 8.190 0.000 0.000 0.431 89 K N 2.788 123.273 120.400 0.141 0.000 2.316 89 K HA 0.816 5.137 4.320 0.001 0.000 0.251 89 K C -1.627 174.994 176.600 0.034 0.000 0.934 89 K CA -0.803 55.536 56.287 0.086 0.000 0.802 89 K CB 2.697 35.276 32.500 0.132 0.000 1.171 89 K HN 0.375 8.625 8.250 0.000 0.000 0.426 90 V N 2.528 122.402 119.914 -0.066 0.000 2.409 90 V HA 0.138 4.259 4.120 0.001 0.000 0.290 90 V C -0.517 175.439 176.094 -0.230 0.000 1.017 90 V CA -1.067 61.124 62.300 -0.182 0.000 0.841 90 V CB 1.402 32.928 31.823 -0.495 0.000 1.003 90 V HN 0.726 8.916 8.190 0.000 0.000 0.426 91 N N 3.341 121.832 118.700 -0.348 0.000 2.416 91 N HA 0.002 4.743 4.740 0.001 0.000 0.265 91 N C 1.466 176.709 175.510 -0.445 0.000 1.195 91 N CA 0.680 53.216 53.050 -0.856 0.000 0.943 91 N CB 1.748 39.795 38.487 -0.733 0.000 1.115 91 N HN 0.845 9.225 8.380 0.000 0.000 0.481 92 T N 0.716 115.043 114.554 -0.379 0.000 2.962 92 T HA -0.048 4.303 4.350 0.001 0.000 0.270 92 T C 1.048 175.672 174.700 -0.127 0.000 1.088 92 T CA 0.908 62.926 62.100 -0.138 0.000 1.127 92 T CB 0.104 68.937 68.868 -0.058 0.000 0.883 92 T HN 0.415 8.655 8.240 0.000 0.000 0.493 93 E N 1.353 121.437 120.200 -0.195 0.000 2.170 93 E HA 0.230 4.581 4.350 0.001 0.000 0.191 93 E C 2.561 179.099 176.600 -0.104 0.000 0.981 93 E CA 0.953 57.281 56.400 -0.120 0.000 0.830 93 E CB -0.467 29.171 29.700 -0.104 0.000 0.775 93 E HN 0.681 9.041 8.360 0.000 0.000 0.470 94 A N 1.345 124.075 122.820 -0.150 0.000 1.969 94 A HA -0.099 4.222 4.320 0.001 0.000 0.218 94 A C 1.154 178.703 177.584 -0.058 0.000 1.169 94 A CA 0.997 52.977 52.037 -0.095 0.000 0.635 94 A CB 0.134 19.070 19.000 -0.107 0.000 0.810 94 A HN -0.046 8.104 8.150 0.000 0.000 0.445 95 E N -0.779 119.385 120.200 -0.060 0.000 3.786 95 E HA 0.159 4.509 4.350 0.001 0.000 0.215 95 E C -2.218 174.393 176.600 0.018 0.000 1.188 95 E CA -1.431 54.962 56.400 -0.011 0.000 1.248 95 E CB 0.830 30.528 29.700 -0.003 0.000 1.260 95 E HN 0.413 8.773 8.360 0.000 0.000 0.426 96 P HA -0.051 4.369 4.420 0.000 0.000 0.225 96 P C 1.153 178.477 177.300 0.041 0.000 1.156 96 P CA 0.607 63.718 63.100 0.018 0.000 0.787 96 P CB 0.413 32.115 31.700 0.004 0.000 0.802 97 A N 0.053 122.902 122.820 0.047 0.000 1.968 97 A HA -0.046 4.274 4.320 0.001 0.000 0.217 97 A C 2.317 179.967 177.584 0.109 0.000 1.169 97 A CA 0.854 52.927 52.037 0.059 0.000 0.638 97 A CB -1.384 17.644 19.000 0.047 0.000 0.812 97 A HN 0.103 8.253 8.150 0.000 0.000 0.446 98 L N -0.915 120.399 121.223 0.151 0.000 2.056 98 L HA -0.142 4.199 4.340 0.001 0.000 0.207 98 L C 2.907 179.971 176.870 0.324 0.000 1.078 98 L CA 1.495 56.511 54.840 0.294 0.000 0.749 98 L CB -0.537 41.680 42.059 0.264 0.000 0.901 98 L HN 0.493 8.723 8.230 0.000 0.000 0.433 99 S N -0.738 115.074 115.700 0.187 0.000 2.370 99 S HA -0.215 4.256 4.470 0.001 0.000 0.226 99 S C 1.994 176.632 174.600 0.063 0.000 1.033 99 S CA 2.194 60.455 58.200 0.101 0.000 1.011 99 S CB -0.181 63.052 63.200 0.055 0.000 0.852 99 S HN 0.420 8.730 8.310 0.000 0.000 0.457 100 T N 1.624 116.216 114.554 0.063 0.000 2.737 100 T HA -0.061 4.290 4.350 0.001 0.000 0.265 100 T C 1.926 176.638 174.700 0.020 0.000 1.038 100 T CA 1.486 63.603 62.100 0.028 0.000 1.144 100 T CB -0.324 68.556 68.868 0.020 0.000 0.866 100 T HN 0.498 8.738 8.240 0.000 0.000 0.434 101 R N 0.165 120.693 120.500 0.047 0.000 2.091 101 R HA -0.063 4.278 4.340 0.001 0.000 0.238 101 R C 1.732 177.937 176.300 -0.159 0.000 1.136 101 R CA 1.620 57.693 56.100 -0.044 0.000 0.959 101 R CB -0.483 29.801 30.300 -0.025 0.000 0.856 101 R HN 0.363 8.633 8.270 0.000 0.000 0.437 102 F N 0.965 120.874 119.950 -0.067 0.000 2.802 102 F HA 0.192 4.719 4.527 0.001 0.000 0.300 102 F C 0.410 176.101 175.800 -0.181 0.000 1.168 102 F CA 0.481 58.392 58.000 -0.147 0.000 1.433 102 F CB 0.153 38.939 39.000 -0.356 0.000 1.115 102 F HN 0.025 8.325 8.300 0.000 0.000 0.582 103 R N 0.485 120.973 120.500 -0.021 0.000 3.333 103 R HA -0.183 4.158 4.340 0.001 0.000 0.256 103 R C -0.763 175.495 176.300 -0.070 0.000 1.010 103 R CA -0.076 55.999 56.100 -0.042 0.000 0.680 103 R CB -2.439 27.837 30.300 -0.039 0.000 1.102 103 R HN 0.091 8.361 8.270 0.000 0.000 0.440 104 I N 1.144 121.645 120.570 -0.115 0.000 2.598 104 I HA -0.036 4.135 4.170 0.001 0.000 0.284 104 I C 1.631 177.705 176.117 -0.072 0.000 1.140 104 I CA 0.531 61.744 61.300 -0.146 0.000 1.420 104 I CB 0.731 38.615 38.000 -0.193 0.000 1.387 104 I HN 0.200 8.410 8.210 0.000 0.000 0.553 105 R N 3.121 123.585 120.500 -0.059 0.000 2.394 105 R HA 0.210 4.551 4.340 0.001 0.000 0.220 105 R C -0.097 176.184 176.300 -0.032 0.000 0.887 105 R CA 0.150 56.227 56.100 -0.038 0.000 1.034 105 R CB 0.209 30.489 30.300 -0.033 0.000 1.179 105 R HN 0.632 8.902 8.270 0.000 0.000 0.561 106 S N 0.794 116.472 115.700 -0.036 0.000 2.548 106 S HA 0.603 5.074 4.470 0.001 0.000 0.286 106 S C -0.486 174.102 174.600 -0.019 0.000 1.098 106 S CA -0.802 57.380 58.200 -0.030 0.000 0.930 106 S CB 2.426 65.599 63.200 -0.045 0.000 1.070 106 S HN -0.102 8.208 8.310 0.000 0.000 0.480 107 I N 3.358 123.924 120.570 -0.007 0.000 2.382 107 I HA 0.442 4.613 4.170 0.001 0.000 0.286 107 I C -2.372 173.744 176.117 -0.001 0.000 1.002 107 I CA -2.498 58.814 61.300 0.020 0.000 1.135 107 I CB 0.970 38.993 38.000 0.039 0.000 1.288 107 I HN 0.432 8.642 8.210 0.000 0.000 0.448 108 P HA 0.366 4.786 4.420 0.000 0.000 0.284 108 P C -0.578 176.680 177.300 -0.071 0.000 1.258 108 P CA -0.289 62.801 63.100 -0.016 0.000 0.824 108 P CB 1.453 33.103 31.700 -0.083 0.000 1.038 109 T N 2.925 117.491 114.554 0.019 0.000 2.797 109 T HA 0.484 4.834 4.350 0.001 0.000 0.279 109 T C 0.281 175.039 174.700 0.097 0.000 0.991 109 T CA -0.292 61.816 62.100 0.013 0.000 0.979 109 T CB 0.319 69.199 68.868 0.019 0.000 0.943 109 T HN 0.181 8.421 8.240 0.000 0.000 0.444 113 Y N 4.063 124.420 120.300 0.095 0.000 2.393 113 Y HA 0.786 5.337 4.550 0.001 0.000 0.341 113 Y C 0.073 175.999 175.900 0.044 0.000 0.988 113 Y CA -0.352 57.804 58.100 0.093 0.000 1.078 113 Y CB 2.029 40.566 38.460 0.129 0.000 1.203 113 Y HN 0.590 8.870 8.280 0.000 0.000 0.453 114 R N 2.372 122.949 120.500 0.130 0.000 2.686 114 R HA 0.280 4.621 4.340 0.001 0.000 0.283 114 R C -0.553 175.812 176.300 0.109 0.000 0.978 114 R CA -0.563 55.596 56.100 0.098 0.000 0.897 114 R CB 1.043 31.360 30.300 0.029 0.000 1.192 114 R HN 0.901 9.171 8.270 0.000 0.000 0.457 115 N N 1.823 120.585 118.700 0.102 0.000 2.693 115 N HA -0.257 4.484 4.740 0.001 0.000 0.250 115 N C 0.563 176.145 175.510 0.120 0.000 1.033 115 N CA 1.735 54.840 53.050 0.092 0.000 0.747 115 N CB -0.751 37.770 38.487 0.057 0.000 0.964 115 N HN 1.045 9.425 8.380 0.000 0.000 0.540 116 G N -1.432 107.488 108.800 0.201 0.000 2.232 116 G HA2 -0.311 3.650 3.960 0.001 0.000 0.226 116 G HA3 -0.311 3.650 3.960 0.001 0.000 0.226 116 G C 0.037 175.168 174.900 0.384 0.000 0.996 116 G CA 0.703 45.958 45.100 0.259 0.000 0.626 116 G HN 0.763 9.053 8.290 0.000 0.000 0.509 123 N N 0.260 118.858 118.700 -0.169 0.000 2.313 123 N HA 0.376 5.117 4.740 0.001 0.000 0.207 123 N C 0.094 175.515 175.510 -0.149 0.000 1.141 123 N CA 0.231 53.208 53.050 -0.122 0.000 0.830 123 N CB 1.202 39.642 38.487 -0.078 0.000 1.008 123 N HN 0.744 9.124 8.380 0.000 0.000 0.481 124 G N -1.738 106.925 108.800 -0.228 0.000 2.506 124 G HA2 0.607 4.568 3.960 0.001 0.000 0.292 124 G HA3 0.607 4.568 3.960 0.001 0.000 0.292 124 G C -1.447 173.189 174.900 -0.440 0.000 1.425 124 G CA -0.473 44.469 45.100 -0.263 0.000 0.788 124 G HN 0.333 8.623 8.290 0.000 0.000 0.490 125 A N -1.108 121.408 122.820 -0.508 0.000 2.492 125 A HA 0.656 4.977 4.320 0.001 0.000 0.236 125 A C 0.732 178.089 177.584 -0.379 0.000 1.078 125 A CA 0.715 52.303 52.037 -0.749 0.000 0.773 125 A CB 0.209 18.941 19.000 -0.448 0.000 1.023 125 A HN 2.314 10.464 8.150 0.000 0.000 0.504 126 V N -1.824 117.936 119.914 -0.257 0.000 3.188 126 V HA 0.799 4.920 4.120 0.001 0.000 0.305 126 V C -3.117 173.094 176.094 0.196 0.000 1.232 126 V CA -2.097 60.206 62.300 0.004 0.000 1.043 126 V CB 1.452 33.290 31.823 0.025 0.000 1.068 126 V HN 0.730 8.920 8.190 0.000 0.000 0.439 127 P HA 0.427 4.847 4.420 0.000 0.000 0.279 127 P C 0.441 177.889 177.300 0.246 0.000 1.282 127 P CA -0.482 62.726 63.100 0.179 0.000 0.788 127 P CB 0.710 32.480 31.700 0.118 0.000 1.139 128 K N 0.561 121.078 120.400 0.196 0.000 1.978 128 K HA -0.167 4.154 4.320 0.001 0.000 0.214 128 K C 1.892 178.647 176.600 0.258 0.000 1.049 128 K CA 2.313 58.742 56.287 0.238 0.000 0.939 128 K CB -1.307 31.273 32.500 0.134 0.000 0.721 128 K HN 0.454 8.704 8.250 0.000 0.000 0.441 129 A N 1.417 124.340 122.820 0.172 0.000 1.873 129 A HA -0.140 4.180 4.320 0.001 0.000 0.218 129 A C -0.586 177.109 177.584 0.184 0.000 1.193 129 A CA 1.946 54.070 52.037 0.145 0.000 0.629 129 A CB -1.714 17.346 19.000 0.100 0.000 0.826 129 A HN 0.304 8.454 8.150 0.000 0.000 0.447 130 P HA -0.156 4.264 4.420 0.000 0.000 0.218 130 P C 1.382 178.892 177.300 0.349 0.000 1.148 130 P CA 1.021 64.257 63.100 0.226 0.000 0.822 130 P CB -0.147 31.665 31.700 0.186 0.000 0.784 131 F N 1.092 121.185 119.950 0.237 0.000 2.102 131 F HA -0.171 4.357 4.527 0.001 0.000 0.298 131 F C 1.766 177.785 175.800 0.366 0.000 1.105 131 F CA 1.572 59.781 58.000 0.347 0.000 1.239 131 F CB -0.931 38.300 39.000 0.384 0.000 0.991 131 F HN -0.147 8.153 8.300 0.000 0.000 0.474 132 D N 0.111 120.596 120.400 0.142 0.000 2.117 132 D HA -0.183 4.458 4.640 0.001 0.000 0.197 132 D C 1.883 178.205 176.300 0.036 0.000 0.987 132 D CA 1.253 55.256 54.000 0.006 0.000 0.829 132 D CB -0.416 40.411 40.800 0.045 0.000 0.961 132 D HN 0.314 8.684 8.370 0.000 0.000 0.460 133 N N -0.093 118.677 118.700 0.117 0.000 2.188 133 N HA -0.139 4.602 4.740 0.001 0.000 0.184 133 N C 1.620 177.210 175.510 0.134 0.000 1.018 133 N CA 0.527 53.640 53.050 0.106 0.000 0.858 133 N CB -0.563 37.997 38.487 0.121 0.000 0.989 133 N HN 0.361 8.741 8.380 0.000 0.000 0.426 134 W N 2.225 123.541 121.300 0.028 0.000 2.354 134 W HA -0.021 4.640 4.660 0.002 0.000 0.315 134 W C 1.939 178.444 176.519 -0.023 0.000 1.206 134 W CA 1.077 58.442 57.345 0.033 0.000 1.290 134 W CB -0.590 28.937 29.460 0.111 0.000 1.152 134 W HN -0.058 8.122 8.180 0.000 0.000 0.489 135 L N 0.522 121.650 121.223 -0.158 0.000 1.990 135 L HA -0.314 4.026 4.340 0.001 0.000 0.213 135 L C 2.360 179.043 176.870 -0.312 0.000 1.072 135 L CA 2.062 56.655 54.840 -0.412 0.000 0.755 135 L CB -1.206 40.680 42.059 -0.289 0.000 0.889 135 L HN -0.017 8.213 8.230 0.000 0.000 0.432 136 D N -0.374 119.925 120.400 -0.168 0.000 2.104 136 D HA -0.242 4.399 4.640 0.001 0.000 0.194 136 D C 2.048 178.266 176.300 -0.136 0.000 0.994 136 D CA 1.445 55.372 54.000 -0.122 0.000 0.830 136 D CB -0.181 40.582 40.800 -0.062 0.000 0.959 136 D HN 0.402 8.772 8.370 0.000 0.000 0.452 137 E N 0.066 120.188 120.200 -0.130 0.000 2.077 137 E HA -0.225 4.126 4.350 0.001 0.000 0.193 137 E C 1.874 178.372 176.600 -0.171 0.000 0.989 137 E CA 0.965 57.300 56.400 -0.109 0.000 0.800 137 E CB 0.137 29.804 29.700 -0.055 0.000 0.746 137 E HN 0.011 8.371 8.360 0.000 0.000 0.452 138 Q N 0.245 119.855 119.800 -0.317 0.000 2.245 138 Q HA 0.032 4.373 4.340 0.001 0.000 0.201 138 Q C 2.081 177.911 176.000 -0.283 0.000 0.955 138 Q CA 0.752 56.328 55.803 -0.378 0.000 0.870 138 Q CB 0.070 28.339 28.738 -0.781 0.000 0.945 138 Q HN 0.339 8.609 8.270 0.000 0.000 0.461 139 L N -0.339 120.727 121.223 -0.260 0.000 2.131 139 L HA -0.088 4.253 4.340 0.001 0.000 0.206 139 L C 2.201 178.999 176.870 -0.119 0.000 1.087 139 L CA 1.178 55.910 54.840 -0.179 0.000 0.767 139 L CB -0.522 41.440 42.059 -0.162 0.000 0.917 139 L HN 0.244 8.474 8.230 0.000 0.000 0.441 140 S N -0.337 115.298 115.700 -0.109 0.000 2.465 140 S HA -0.110 4.361 4.470 0.001 0.000 0.241 140 S C 1.303 175.865 174.600 -0.063 0.000 1.000 140 S CA 0.266 58.421 58.200 -0.075 0.000 0.964 140 S CB -0.369 62.792 63.200 -0.065 0.000 0.763 140 S HN 0.263 8.573 8.310 0.000 0.000 0.512 141 R N 0.000 120.456 120.500 -0.073 0.000 2.786 141 R HA 0.000 4.341 4.340 0.001 0.000 0.208 141 R CA 0.000 56.066 56.100 -0.056 0.000 0.921 141 R CB 0.000 30.263 30.300 -0.062 0.000 0.687 141 R HN 0.000 8.270 8.270 0.000 0.000 0.535