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 2l57_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLEGIKQIN FQSINVVENL EEAKEGIPTI IMFKTDTCPY CVEMQKELSY DATA SEQUENCE VSKEREGKFN IYYARLEEEK NIDLAYKYDA NIVPTTVFLD KEGNKFYVHQ DATA SEQUENCE GLMRKNNIET ILNSLGVKEG HHHHHH 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 4.496 4.480 0.027 0.000 0.227 1 M C 0.000 176.338 176.300 0.064 0.000 1.140 1 M CA 0.000 55.359 55.300 0.098 0.000 0.988 1 M CB 0.000 32.682 32.600 0.137 0.000 1.302 2 S N 2.746 118.466 115.700 0.034 0.000 3.517 2 S HA 0.202 4.673 4.470 0.001 0.000 0.284 2 S C -1.193 173.413 174.600 0.011 0.000 1.260 2 S CA 0.853 59.060 58.200 0.011 0.000 0.975 2 S CB -1.406 61.793 63.200 -0.001 0.000 1.540 2 S HN 0.014 8.343 8.310 0.032 0.000 0.506 3 L N 2.965 124.191 121.223 0.005 0.000 2.582 3 L HA 0.443 4.771 4.340 -0.019 0.000 0.257 3 L C -0.084 176.769 176.870 -0.029 0.000 0.974 3 L CA 0.193 55.022 54.840 -0.019 0.000 0.851 3 L CB 1.773 43.809 42.059 -0.038 0.000 1.424 3 L HN -0.242 7.964 8.230 0.011 0.031 0.412 4 E N 0.778 120.955 120.200 -0.038 0.000 4.429 4 E HA -0.435 3.892 4.350 -0.038 0.000 0.185 4 E C 1.137 177.723 176.600 -0.024 0.000 1.272 4 E CA 2.075 58.452 56.400 -0.037 0.000 2.340 4 E CB -1.079 28.591 29.700 -0.049 0.000 1.837 4 E HN 0.930 9.266 8.360 -0.039 0.000 0.389 5 G N 0.070 108.858 108.800 -0.019 0.000 2.458 5 G HA2 -0.404 3.548 3.960 -0.014 0.000 0.237 5 G HA3 -0.404 3.547 3.960 -0.015 0.000 0.237 5 G C 0.184 175.077 174.900 -0.012 0.000 1.113 5 G CA 0.875 45.966 45.100 -0.014 0.000 0.655 5 G HN 0.478 8.697 8.290 -0.018 0.061 0.513 6 I N -0.506 120.056 120.570 -0.014 0.000 2.142 6 I HA -0.142 4.023 4.170 -0.008 0.000 0.240 6 I C -0.202 175.911 176.117 -0.006 0.000 1.078 6 I CA 2.039 63.333 61.300 -0.011 0.000 1.343 6 I CB 0.295 38.286 38.000 -0.014 0.000 1.046 6 I HN -0.785 7.290 8.210 -0.018 0.124 0.405 7 K N -1.473 118.923 120.400 -0.007 0.000 3.253 7 K HA 0.119 4.442 4.320 0.005 0.000 0.171 7 K C -1.284 175.317 176.600 0.003 0.000 1.035 7 K CA 0.541 56.827 56.287 -0.001 0.000 1.013 7 K CB 0.224 32.721 32.500 -0.004 0.000 0.674 7 K HN -0.516 7.727 8.250 -0.013 0.000 0.407 8 Q N -0.993 118.809 119.800 0.003 0.000 2.038 8 Q HA 0.098 4.573 4.340 0.029 -0.117 0.240 8 Q C -0.625 175.400 176.000 0.042 0.000 0.831 8 Q CA -0.570 55.241 55.803 0.013 0.000 1.068 8 Q CB 0.422 29.142 28.738 -0.030 0.000 1.241 8 Q HN -0.076 8.193 8.270 -0.001 0.000 0.435 9 I N -0.511 120.076 120.570 0.028 0.000 2.493 9 I HA -0.268 3.916 4.170 0.024 0.000 0.254 9 I C -1.186 174.953 176.117 0.036 0.000 1.160 9 I CA 0.371 61.682 61.300 0.019 0.000 1.445 9 I CB 0.384 38.371 38.000 -0.021 0.000 1.086 9 I HN 0.151 8.372 8.210 0.018 0.000 0.433 10 N N -4.158 114.579 118.700 0.060 0.000 2.421 10 N HA -0.234 4.522 4.740 0.027 0.000 0.201 10 N C -0.153 175.423 175.510 0.111 0.000 1.198 10 N CA -0.695 52.398 53.050 0.071 0.000 0.838 10 N CB -0.915 37.628 38.487 0.093 0.000 1.011 10 N HN -0.366 8.008 8.380 0.062 0.044 0.463 11 F N 3.583 123.519 119.950 -0.023 0.000 2.677 11 F HA -0.079 4.439 4.527 -0.015 0.000 0.358 11 F C -1.297 174.490 175.800 -0.023 0.000 1.266 11 F CA 0.639 58.627 58.000 -0.020 0.000 1.262 11 F CB -1.048 37.938 39.000 -0.022 0.000 1.684 11 F HN -0.682 7.647 8.300 0.235 0.112 0.671 12 Q N 0.550 120.206 119.800 -0.241 0.000 5.068 12 Q HA -0.117 4.008 4.340 -0.358 0.000 0.248 12 Q C -1.502 174.427 176.000 -0.119 0.000 0.921 12 Q CA 0.720 56.370 55.803 -0.255 0.000 0.566 12 Q CB 0.091 28.707 28.738 -0.204 0.000 0.779 12 Q HN 0.534 8.677 8.270 -0.119 0.056 0.619 13 S N 2.816 118.495 115.700 -0.035 0.000 2.434 13 S HA 0.281 4.788 4.470 0.062 0.000 0.318 13 S C -1.065 173.558 174.600 0.037 0.000 1.062 13 S CA 0.446 58.684 58.200 0.064 0.000 1.116 13 S CB 0.718 64.043 63.200 0.207 0.000 0.977 13 S HN -0.273 7.881 8.310 -0.027 0.140 0.480 14 I N 4.727 125.290 120.570 -0.012 0.000 2.525 14 I HA 0.040 4.194 4.170 -0.026 0.000 0.301 14 I C -0.306 175.755 176.117 -0.093 0.000 0.992 14 I CA -0.546 60.729 61.300 -0.042 0.000 1.162 14 I CB 1.641 39.610 38.000 -0.052 0.000 1.332 14 I HN -0.230 7.968 8.210 -0.019 0.000 0.458 15 N N -0.751 117.876 118.700 -0.122 0.000 2.878 15 N HA -0.238 4.390 4.740 -0.187 0.000 0.247 15 N C -1.367 174.035 175.510 -0.181 0.000 1.021 15 N CA 1.662 54.583 53.050 -0.215 0.000 0.873 15 N CB -1.038 37.190 38.487 -0.433 0.000 1.128 15 N HN 0.457 8.784 8.380 -0.088 0.000 0.571 16 V N -6.241 113.617 119.914 -0.093 0.000 3.093 16 V HA 0.748 4.994 4.120 -0.158 -0.221 0.320 16 V C -0.542 175.540 176.094 -0.019 0.000 1.093 16 V CA -2.462 59.791 62.300 -0.079 0.000 1.016 16 V CB 2.217 34.057 31.823 0.029 0.000 1.096 16 V HN -0.810 7.299 8.190 -0.054 0.048 0.452 17 V N -7.097 112.817 119.914 -0.001 0.000 2.971 17 V HA 0.430 4.570 4.120 0.033 0.000 0.309 17 V C 0.385 176.569 176.094 0.150 0.000 1.130 17 V CA -2.668 59.652 62.300 0.033 0.000 0.964 17 V CB 3.664 35.453 31.823 -0.056 0.000 1.029 17 V HN 0.679 8.738 8.190 -0.063 0.093 0.427 18 E N 2.187 122.458 120.200 0.119 0.000 2.031 18 E HA -0.340 4.151 4.350 0.235 0.000 0.193 18 E C -0.660 176.069 176.600 0.216 0.000 0.994 18 E CA 2.642 59.142 56.400 0.167 0.000 0.800 18 E CB 0.340 30.089 29.700 0.082 0.000 0.752 18 E HN 0.492 8.888 8.360 0.060 0.000 0.447 19 N N -4.957 113.728 118.700 -0.025 0.000 2.732 19 N HA 0.084 4.641 4.740 -0.305 0.000 0.259 19 N C 0.253 175.355 175.510 -0.681 0.000 1.402 19 N CA -1.677 51.185 53.050 -0.313 0.000 0.829 19 N CB 2.618 41.061 38.487 -0.074 0.000 1.495 19 N HN -0.675 7.664 8.380 -0.069 0.000 0.511 20 L N 0.210 120.873 121.223 -0.934 0.000 2.191 20 L HA -0.298 3.686 4.340 -0.593 0.000 0.212 20 L C 0.920 177.629 176.870 -0.268 0.000 1.103 20 L CA 2.876 57.377 54.840 -0.564 0.000 0.769 20 L CB -0.047 41.781 42.059 -0.386 0.000 0.908 20 L HN 0.624 8.214 8.230 -1.067 0.000 0.438 21 E N -3.165 116.915 120.200 -0.199 0.000 2.160 21 E HA -0.294 4.006 4.350 -0.083 0.000 0.195 21 E C 1.448 177.989 176.600 -0.100 0.000 0.991 21 E CA 1.996 58.332 56.400 -0.107 0.000 0.810 21 E CB -0.058 29.602 29.700 -0.066 0.000 0.742 21 E HN -0.609 7.909 8.360 -0.219 -0.289 0.466 22 E N -2.759 117.366 120.200 -0.124 0.000 2.276 22 E HA -0.043 4.265 4.350 -0.070 0.000 0.193 22 E C -0.025 176.509 176.600 -0.110 0.000 0.983 22 E CA 0.020 56.363 56.400 -0.094 0.000 0.861 22 E CB 0.861 30.518 29.700 -0.071 0.000 0.817 22 E HN -0.521 7.613 8.360 -0.164 0.128 0.485 23 A N -0.018 122.702 122.820 -0.166 0.000 2.366 23 A HA -0.083 4.165 4.320 -0.120 0.000 0.249 23 A C -1.615 175.907 177.584 -0.105 0.000 1.084 23 A CA 0.306 52.252 52.037 -0.152 0.000 0.794 23 A CB 0.814 19.675 19.000 -0.232 0.000 1.034 23 A HN -0.357 7.544 8.150 -0.229 0.112 0.491 24 K N -1.419 118.936 120.400 -0.075 0.000 2.263 24 K HA 0.282 4.573 4.320 -0.048 0.000 0.249 24 K C -1.270 175.314 176.600 -0.027 0.000 1.076 24 K CA -2.070 54.187 56.287 -0.050 0.000 0.884 24 K CB 2.514 34.984 32.500 -0.049 0.000 1.394 24 K HN -0.291 7.916 8.250 -0.073 0.000 0.476 25 E N -1.351 118.842 120.200 -0.010 0.000 2.254 25 E HA 0.133 4.495 4.350 0.019 0.000 0.258 25 E C 0.778 177.391 176.600 0.021 0.000 1.033 25 E CA -0.706 55.702 56.400 0.013 0.000 0.893 25 E CB 1.726 31.439 29.700 0.021 0.000 1.204 25 E HN -0.117 8.235 8.360 -0.015 0.000 0.425 26 G N -0.947 107.878 108.800 0.042 0.000 3.757 26 G HA2 -0.373 3.626 3.960 0.065 0.000 0.215 26 G HA3 -0.373 3.615 3.960 0.047 0.000 0.215 26 G C -0.690 174.251 174.900 0.068 0.000 1.411 26 G CA 0.592 45.725 45.100 0.055 0.000 0.896 26 G HN 0.052 8.371 8.290 0.048 0.000 0.581 27 I N 1.644 122.250 120.570 0.059 0.000 2.471 27 I HA 0.402 4.638 4.170 0.110 0.000 0.286 27 I C -2.356 173.826 176.117 0.109 0.000 1.079 27 I CA -3.063 58.290 61.300 0.089 0.000 1.398 27 I CB -1.512 36.529 38.000 0.067 0.000 1.403 27 I HN -0.651 7.521 8.210 0.034 0.058 0.530 28 P HA -0.059 4.572 4.420 0.110 -0.145 0.264 28 P C -1.047 176.348 177.300 0.157 0.000 1.179 28 P CA 0.602 63.785 63.100 0.139 0.000 0.763 28 P CB 0.437 32.217 31.700 0.133 0.000 0.806 29 T N 5.365 119.984 114.554 0.108 0.000 2.786 29 T HA 0.517 5.073 4.350 0.090 -0.152 0.283 29 T C -0.859 173.852 174.700 0.020 0.000 0.992 29 T CA 0.305 62.445 62.100 0.067 0.000 0.954 29 T CB 1.840 70.722 68.868 0.023 0.000 0.934 29 T HN -0.179 8.122 8.240 0.102 0.000 0.440 30 I N 7.895 128.459 120.570 -0.011 0.000 2.330 30 I HA 0.384 4.582 4.170 -0.223 -0.162 0.289 30 I C -1.743 174.219 176.117 -0.259 0.000 1.001 30 I CA -1.198 59.997 61.300 -0.176 0.000 1.193 30 I CB 1.564 39.450 38.000 -0.189 0.000 1.345 30 I HN 0.945 9.185 8.210 0.050 0.000 0.461 31 I N 7.613 127.971 120.570 -0.353 0.000 2.330 31 I HA 0.377 4.395 4.170 -0.500 -0.148 0.289 31 I C -1.039 174.766 176.117 -0.519 0.000 1.001 31 I CA -1.880 59.124 61.300 -0.494 0.000 1.193 31 I CB 0.379 38.034 38.000 -0.575 0.000 1.345 31 I HN 0.923 8.922 8.210 -0.351 0.000 0.461 32 M N 5.619 124.880 119.600 -0.565 0.000 2.072 32 M HA 0.766 5.371 4.480 -0.221 -0.257 0.331 32 M C -1.381 174.672 176.300 -0.413 0.000 1.004 32 M CA -1.676 53.412 55.300 -0.353 0.000 0.952 32 M CB 1.641 34.116 32.600 -0.208 0.000 1.511 32 M HN 0.518 8.427 8.290 -0.635 0.000 0.422 33 F N 6.237 126.072 119.950 -0.191 0.000 2.438 33 F HA 0.497 5.105 4.527 -0.212 -0.208 0.356 33 F C -0.468 175.274 175.800 -0.096 0.000 1.099 33 F CA -0.018 57.885 58.000 -0.163 0.000 1.185 33 F CB 0.835 39.751 39.000 -0.139 0.000 1.115 33 F HN 0.880 9.143 8.300 0.135 0.118 0.526 34 K N 1.813 122.252 120.400 0.064 0.000 2.498 34 K HA 0.536 4.895 4.320 0.064 0.000 0.254 34 K C -1.256 175.370 176.600 0.043 0.000 0.933 34 K CA -1.584 54.733 56.287 0.049 0.000 0.806 34 K CB 3.047 35.564 32.500 0.028 0.000 1.301 34 K HN 0.886 9.049 8.250 0.022 0.100 0.432 35 T N 0.511 115.091 114.554 0.042 0.000 2.754 35 T HA -0.069 4.301 4.350 0.032 0.000 0.286 35 T C 0.922 175.635 174.700 0.022 0.000 0.997 35 T CA -0.599 61.521 62.100 0.032 0.000 0.982 35 T CB 0.807 69.694 68.868 0.031 0.000 1.027 35 T HN 0.205 8.474 8.240 0.049 0.000 0.529 36 D N 0.678 121.089 120.400 0.017 0.000 2.182 36 D HA -0.338 4.555 4.640 0.004 -0.250 0.193 36 D C 1.160 177.462 176.300 0.003 0.000 0.999 36 D CA 3.189 57.194 54.000 0.008 0.000 0.850 36 D CB -0.029 40.777 40.800 0.010 0.000 0.994 36 D HN 0.356 8.738 8.370 0.020 0.000 0.450 37 T N 2.205 116.763 114.554 0.008 0.000 2.723 37 T HA 0.150 4.498 4.350 -0.005 0.000 0.297 37 T C -1.032 173.679 174.700 0.020 0.000 0.925 37 T CA 0.435 62.538 62.100 0.005 0.000 1.030 37 T CB -0.366 68.504 68.868 0.004 0.000 0.905 37 T HN -0.120 8.127 8.240 0.011 0.000 0.502 38 C N 6.428 125.739 119.300 0.018 0.000 2.716 38 C HA 0.419 4.919 4.460 0.066 0.000 0.366 38 C C -1.891 173.109 174.990 0.016 0.000 1.073 38 C CA -2.893 56.156 59.018 0.051 0.000 1.260 38 C CB 1.652 29.445 27.740 0.088 0.000 1.755 38 C HN 0.254 8.484 8.230 0.000 0.000 0.475 39 P HA -0.046 4.313 4.420 -0.102 0.000 0.218 39 P C 0.231 177.446 177.300 -0.142 0.000 1.152 39 P CA 1.443 64.456 63.100 -0.145 0.000 0.826 39 P CB 0.382 31.914 31.700 -0.281 0.000 0.790 40 Y N -3.775 116.530 120.300 0.007 0.000 2.403 40 Y HA -0.261 4.301 4.550 0.020 0.000 0.291 40 Y C 1.763 177.673 175.900 0.016 0.000 1.143 40 Y CA 2.817 60.928 58.100 0.017 0.000 1.257 40 Y CB -0.968 37.508 38.460 0.027 0.000 0.984 40 Y HN -0.184 8.108 8.280 0.021 0.000 0.550 41 C N -1.138 118.243 119.300 0.136 0.000 2.436 41 C HA -0.344 4.179 4.460 0.106 0.000 0.277 41 C C 1.571 176.578 174.990 0.029 0.000 1.241 41 C CA 3.394 62.457 59.018 0.076 0.000 1.721 41 C CB -1.423 26.332 27.740 0.025 0.000 2.043 41 C HN -0.303 7.966 8.230 0.126 0.037 0.472 42 V N 0.089 119.994 119.914 -0.014 0.000 2.332 42 V HA -0.474 3.604 4.120 -0.069 0.000 0.248 42 V C 1.918 177.999 176.094 -0.022 0.000 1.055 42 V CA 4.926 67.200 62.300 -0.043 0.000 1.038 42 V CB -0.495 31.294 31.823 -0.057 0.000 0.651 42 V HN -0.568 7.611 8.190 -0.017 0.000 0.450 43 E N -0.428 119.773 120.200 0.002 0.000 2.058 43 E HA -0.411 3.944 4.350 0.008 0.000 0.194 43 E C 1.749 178.374 176.600 0.042 0.000 0.997 43 E CA 2.968 59.384 56.400 0.026 0.000 0.801 43 E CB -0.346 29.386 29.700 0.054 0.000 0.746 43 E HN -0.768 7.591 8.360 -0.003 0.000 0.450 44 M N -0.104 119.540 119.600 0.073 0.000 2.254 44 M HA -0.295 4.233 4.480 0.080 0.000 0.265 44 M C 1.974 178.309 176.300 0.059 0.000 1.066 44 M CA 3.421 58.769 55.300 0.080 0.000 1.123 44 M CB -0.139 32.524 32.600 0.104 0.000 1.388 44 M HN -0.411 7.933 8.290 0.089 0.000 0.425 45 Q N -0.310 119.525 119.800 0.057 0.000 2.061 45 Q HA -0.433 4.021 4.340 0.191 0.000 0.204 45 Q C 2.463 178.427 176.000 -0.061 0.000 0.984 45 Q CA 3.753 59.596 55.803 0.067 0.000 0.846 45 Q CB -0.058 28.679 28.738 -0.003 0.000 0.902 45 Q HN 0.321 8.516 8.270 0.048 0.104 0.421 46 K N -2.153 118.158 120.400 -0.149 0.000 2.097 46 K HA -0.222 3.873 4.320 -0.374 0.000 0.205 46 K C 2.694 178.888 176.600 -0.676 0.000 1.050 46 K CA 2.664 58.727 56.287 -0.373 0.000 0.938 46 K CB -0.580 31.747 32.500 -0.289 0.000 0.718 46 K HN -0.433 7.759 8.250 -0.096 0.000 0.442 47 E N -0.098 119.928 120.200 -0.290 0.000 2.085 47 E HA -0.298 4.078 4.350 0.042 0.000 0.194 47 E C 2.463 179.038 176.600 -0.042 0.000 0.994 47 E CA 2.633 58.985 56.400 -0.080 0.000 0.801 47 E CB -0.432 29.321 29.700 0.089 0.000 0.743 47 E HN -0.692 7.587 8.360 -0.134 0.000 0.453 48 L N -1.264 119.946 121.223 -0.023 0.000 2.083 48 L HA -0.343 4.068 4.340 0.118 0.000 0.209 48 L C 2.453 179.333 176.870 0.016 0.000 1.083 48 L CA 2.998 57.869 54.840 0.052 0.000 0.752 48 L CB -0.491 41.612 42.059 0.072 0.000 0.899 48 L HN 0.443 8.475 8.230 -0.025 0.183 0.433 49 S N 0.491 116.118 115.700 -0.121 0.000 2.370 49 S HA -0.309 4.127 4.470 -0.056 0.000 0.226 49 S C 2.273 176.863 174.600 -0.018 0.000 1.033 49 S CA 4.077 62.199 58.200 -0.130 0.000 1.011 49 S CB -0.047 62.995 63.200 -0.263 0.000 0.852 49 S HN 0.239 8.336 8.310 -0.192 0.098 0.457 50 Y N 0.157 120.487 120.300 0.051 0.000 2.200 50 Y HA -0.244 4.328 4.550 0.036 0.000 0.290 50 Y C 2.131 178.075 175.900 0.073 0.000 1.137 50 Y CA 1.765 59.894 58.100 0.050 0.000 1.163 50 Y CB -1.222 37.265 38.460 0.044 0.000 0.988 50 Y HN -0.605 7.341 8.280 -0.389 0.100 0.518 51 V N 0.420 120.483 119.914 0.249 0.000 2.343 51 V HA -0.456 3.791 4.120 0.211 0.000 0.247 51 V C 2.251 178.491 176.094 0.244 0.000 1.051 51 V CA 3.561 66.005 62.300 0.239 0.000 1.036 51 V CB -0.411 31.572 31.823 0.267 0.000 0.654 51 V HN -0.338 7.913 8.190 0.221 0.072 0.451 52 S N -1.092 114.715 115.700 0.178 0.000 2.402 52 S HA -0.349 4.268 4.470 0.042 -0.122 0.229 52 S C 0.973 175.623 174.600 0.084 0.000 1.021 52 S CA 3.564 61.808 58.200 0.073 0.000 0.974 52 S CB -0.150 63.041 63.200 -0.015 0.000 0.800 52 S HN 0.061 8.463 8.310 0.154 0.000 0.484 53 K N 0.880 121.346 120.400 0.111 0.000 2.057 53 K HA -0.302 4.070 4.320 0.086 0.000 0.207 53 K C 1.925 178.597 176.600 0.120 0.000 1.049 53 K CA 2.550 58.902 56.287 0.110 0.000 0.931 53 K CB 0.036 32.616 32.500 0.133 0.000 0.714 53 K HN -0.400 7.816 8.250 0.130 0.111 0.440 54 E N -4.076 116.202 120.200 0.131 0.000 2.442 54 E HA -0.003 4.406 4.350 0.098 0.000 0.195 54 E C 0.293 176.966 176.600 0.122 0.000 1.030 54 E CA 0.623 57.091 56.400 0.113 0.000 0.869 54 E CB 0.597 30.355 29.700 0.097 0.000 0.857 54 E HN -0.655 7.691 8.360 0.148 0.103 0.505 55 R N -1.016 119.580 120.500 0.160 0.000 2.629 55 R HA 0.228 4.636 4.340 0.114 0.000 0.275 55 R C -2.078 174.310 176.300 0.146 0.000 1.719 55 R CA -1.209 54.997 56.100 0.177 0.000 1.472 55 R CB 1.100 31.601 30.300 0.336 0.000 1.237 55 R HN -0.722 7.448 8.270 0.157 0.194 0.589 56 E N 4.304 124.662 120.200 0.263 0.000 2.257 56 E HA -0.041 4.353 4.350 0.073 0.000 0.278 56 E C 0.394 177.130 176.600 0.227 0.000 1.049 56 E CA -0.108 56.416 56.400 0.208 0.000 0.876 56 E CB 0.049 29.877 29.700 0.214 0.000 1.035 56 E HN 0.146 8.747 8.360 0.401 0.000 0.419 57 G N 6.555 115.375 108.800 0.034 0.000 2.381 57 G HA2 -0.441 3.481 3.960 -0.063 0.000 0.281 57 G HA3 -0.441 3.560 3.960 0.068 0.000 0.281 57 G C -1.069 173.888 174.900 0.095 0.000 0.984 57 G CA 0.787 45.904 45.100 0.028 0.000 1.339 57 G HN 0.395 8.895 8.290 -0.061 -0.247 0.485 58 K N -0.847 119.564 120.400 0.017 0.000 2.711 58 K HA 0.271 4.693 4.320 0.170 0.000 0.197 58 K C -1.607 175.133 176.600 0.233 0.000 1.535 58 K CA 0.089 56.474 56.287 0.164 0.000 1.170 58 K CB 2.473 35.140 32.500 0.278 0.000 1.596 58 K HN 0.169 8.318 8.250 -0.168 0.000 0.584 59 F N -5.209 114.768 119.950 0.045 0.000 2.664 59 F HA 0.320 4.910 4.527 0.027 -0.047 0.317 59 F C -2.434 173.368 175.800 0.003 0.000 1.108 59 F CA -2.494 55.522 58.000 0.028 0.000 0.957 59 F CB 2.787 41.811 39.000 0.039 0.000 1.365 59 F HN -0.687 7.348 8.300 -0.443 0.000 0.475 60 N N -1.927 116.843 118.700 0.118 0.000 2.321 60 N HA 0.533 5.446 4.740 -0.157 -0.267 0.299 60 N C -0.923 174.619 175.510 0.054 0.000 1.048 60 N CA -1.328 51.710 53.050 -0.019 0.000 0.836 60 N CB 3.345 41.811 38.487 -0.036 0.000 1.269 60 N HN 0.540 9.063 8.380 0.239 0.000 0.486 61 I N 1.129 121.661 120.570 -0.063 0.000 2.306 61 I HA 0.237 4.492 4.170 -0.079 -0.132 0.288 61 I C -1.581 174.365 176.117 -0.284 0.000 1.036 61 I CA -0.492 60.713 61.300 -0.158 0.000 1.221 61 I CB 1.036 38.891 38.000 -0.241 0.000 1.385 61 I HN 0.862 8.879 8.210 -0.132 0.114 0.472 62 Y N 10.185 130.253 120.300 -0.387 0.000 2.367 62 Y HA 0.402 4.952 4.550 -0.298 -0.179 0.342 62 Y C -1.968 173.668 175.900 -0.439 0.000 0.979 62 Y CA -3.932 53.950 58.100 -0.363 0.000 1.161 62 Y CB 1.316 39.604 38.460 -0.287 0.000 1.155 62 Y HN 0.828 9.032 8.280 -0.127 0.000 0.503 63 Y N 8.865 129.093 120.300 -0.120 0.000 2.585 63 Y HA 0.031 4.358 4.550 -0.372 0.000 0.354 63 Y C -0.475 175.036 175.900 -0.648 0.000 1.024 63 Y CA -0.403 57.501 58.100 -0.326 0.000 1.321 63 Y CB -1.398 36.992 38.460 -0.117 0.000 1.151 63 Y HN -0.151 8.182 8.280 0.089 0.000 0.525 64 A N 5.889 128.170 122.820 -0.897 0.000 2.798 64 A HA 0.334 3.975 4.320 -1.132 0.000 0.316 64 A C -1.191 176.184 177.584 -0.348 0.000 1.506 64 A CA -1.482 49.930 52.037 -1.041 0.000 1.162 64 A CB -0.254 17.700 19.000 -1.743 0.000 1.138 64 A HN 0.973 8.559 8.150 -0.770 0.101 0.532 65 R N 4.668 125.088 120.500 -0.133 0.000 2.347 65 R HA 0.318 4.852 4.340 -0.020 -0.206 0.304 65 R C 0.355 176.676 176.300 0.035 0.000 1.072 65 R CA -0.971 55.118 56.100 -0.018 0.000 0.980 65 R CB 0.269 30.575 30.300 0.010 0.000 0.986 65 R HN -0.316 7.895 8.270 -0.098 0.000 0.448 66 L N 3.099 124.353 121.223 0.052 0.000 2.711 66 L HA -0.082 4.314 4.340 0.094 0.000 0.242 66 L C -0.036 176.865 176.870 0.051 0.000 1.153 66 L CA 0.648 55.528 54.840 0.066 0.000 0.898 66 L CB -0.155 41.934 42.059 0.050 0.000 1.044 66 L HN 0.753 8.906 8.230 0.042 0.101 0.437 67 E N -2.997 117.230 120.200 0.045 0.000 2.427 67 E HA -0.100 4.269 4.350 0.033 0.000 0.196 67 E C -0.301 176.326 176.600 0.046 0.000 1.028 67 E CA 1.149 57.572 56.400 0.038 0.000 0.864 67 E CB 0.015 29.733 29.700 0.029 0.000 0.813 67 E HN 0.293 8.528 8.360 0.044 0.152 0.514 68 E N -1.570 118.667 120.200 0.062 0.000 2.316 68 E HA 0.102 4.485 4.350 0.056 0.000 0.258 68 E C -0.655 175.992 176.600 0.078 0.000 0.952 68 E CA -1.026 55.415 56.400 0.068 0.000 0.818 68 E CB 1.458 31.206 29.700 0.081 0.000 1.260 68 E HN -0.798 7.537 8.360 0.070 0.067 0.416 69 E N 0.709 120.954 120.200 0.075 0.000 2.170 69 E HA -0.228 4.169 4.350 0.078 0.000 0.191 69 E C 1.352 178.012 176.600 0.100 0.000 0.981 69 E CA 2.060 58.508 56.400 0.079 0.000 0.830 69 E CB -0.589 29.149 29.700 0.063 0.000 0.775 69 E HN 0.318 8.718 8.360 0.067 0.000 0.470 70 K N -0.543 119.921 120.400 0.107 0.000 2.209 70 K HA -0.252 4.137 4.320 0.116 0.000 0.204 70 K C 0.840 177.549 176.600 0.182 0.000 1.048 70 K CA 2.560 58.925 56.287 0.129 0.000 0.940 70 K CB -1.138 31.433 32.500 0.117 0.000 0.729 70 K HN 0.319 8.626 8.250 0.095 0.000 0.451 71 N N -0.763 118.052 118.700 0.191 0.000 2.398 71 N HA 0.013 4.961 4.740 0.347 0.000 0.188 71 N C 1.714 177.339 175.510 0.191 0.000 1.122 71 N CA 0.880 54.085 53.050 0.258 0.000 0.866 71 N CB -0.386 38.246 38.487 0.242 0.000 0.970 71 N HN -0.025 8.407 8.380 0.156 0.041 0.462 72 I N 1.505 122.162 120.570 0.145 0.000 2.162 72 I HA -0.500 3.700 4.170 0.051 0.000 0.238 72 I C 0.825 177.057 176.117 0.193 0.000 1.076 72 I CA 4.553 65.930 61.300 0.127 0.000 1.353 72 I CB -0.077 38.012 38.000 0.147 0.000 1.063 72 I HN -0.197 7.908 8.210 0.145 0.191 0.408 73 D N -0.762 119.763 120.400 0.208 0.000 2.144 73 D HA -0.240 4.568 4.640 0.279 0.000 0.200 73 D C 2.307 178.735 176.300 0.213 0.000 0.978 73 D CA 3.154 57.284 54.000 0.216 0.000 0.833 73 D CB 0.228 41.117 40.800 0.149 0.000 0.961 73 D HN -0.417 8.058 8.370 0.175 0.000 0.470 74 L N -1.320 120.064 121.223 0.268 0.000 2.012 74 L HA -0.329 4.303 4.340 0.486 0.000 0.210 74 L C 1.837 178.935 176.870 0.381 0.000 1.073 74 L CA 3.104 58.214 54.840 0.451 0.000 0.748 74 L CB -0.821 41.558 42.059 0.533 0.000 0.891 74 L HN -0.389 7.990 8.230 0.249 0.000 0.431 75 A N -1.174 121.665 122.820 0.033 0.000 1.851 75 A HA -0.356 2.915 4.320 -1.748 0.000 0.216 75 A C 2.080 179.351 177.584 -0.522 0.000 1.195 75 A CA 3.037 54.663 52.037 -0.685 0.000 0.622 75 A CB -0.791 17.829 19.000 -0.634 0.000 0.831 75 A HN -0.357 7.748 8.150 0.139 0.128 0.444 76 Y N -2.571 117.636 120.300 -0.156 0.000 2.293 76 Y HA -0.309 4.146 4.550 -0.159 0.000 0.291 76 Y C 3.267 179.083 175.900 -0.140 0.000 1.137 76 Y CA 3.218 61.238 58.100 -0.134 0.000 1.202 76 Y CB -0.479 37.931 38.460 -0.084 0.000 0.990 76 Y HN -0.595 7.593 8.280 -0.154 0.000 0.537 77 K N -0.215 120.189 120.400 0.006 0.000 2.280 77 K HA -0.308 3.915 4.320 -0.162 0.000 0.202 77 K C 0.268 176.599 176.600 -0.448 0.000 1.047 77 K CA 2.624 58.782 56.287 -0.215 0.000 0.942 77 K CB 0.090 32.432 32.500 -0.263 0.000 0.739 77 K HN 0.310 8.590 8.250 0.077 0.016 0.457 78 Y N -4.440 115.843 120.300 -0.027 0.000 2.706 78 Y HA 0.043 4.612 4.550 0.031 0.000 0.255 78 Y C -1.838 173.974 175.900 -0.147 0.000 1.163 78 Y CA -0.935 57.154 58.100 -0.018 0.000 1.174 78 Y CB 0.182 38.745 38.460 0.171 0.000 1.200 78 Y HN -0.709 7.395 8.280 -0.029 0.159 0.544 79 D N -4.569 115.773 120.400 -0.096 0.000 2.981 79 D HA -0.420 4.170 4.640 -0.083 0.000 0.223 79 D C -1.145 175.031 176.300 -0.208 0.000 1.151 79 D CA 1.342 55.275 54.000 -0.111 0.000 0.827 79 D CB -1.797 38.966 40.800 -0.062 0.000 1.101 79 D HN -0.446 7.682 8.370 -0.102 0.182 0.426 80 A N -1.419 121.149 122.820 -0.419 0.000 2.310 80 A HA -0.009 4.113 4.320 -0.330 0.000 0.300 80 A C -0.774 176.566 177.584 -0.406 0.000 1.269 80 A CA -0.049 51.676 52.037 -0.521 0.000 0.909 80 A CB 0.499 18.775 19.000 -1.207 0.000 1.144 80 A HN 0.045 7.770 8.150 -0.502 0.124 0.540 81 N N 2.808 121.364 118.700 -0.241 0.000 2.082 81 N HA 0.168 4.774 4.740 -0.224 0.000 0.228 81 N C -0.758 174.681 175.510 -0.118 0.000 1.341 81 N CA 0.385 53.328 53.050 -0.179 0.000 0.873 81 N CB 2.623 41.038 38.487 -0.120 0.000 1.137 81 N HN 0.614 9.249 8.380 -0.193 -0.371 0.505 82 I N -0.297 120.208 120.570 -0.108 0.000 2.686 82 I HA 0.312 4.440 4.170 -0.070 0.000 0.295 82 I C -2.115 173.968 176.117 -0.056 0.000 1.114 82 I CA -1.108 60.144 61.300 -0.079 0.000 1.038 82 I CB 4.586 42.534 38.000 -0.088 0.000 1.238 82 I HN -0.045 8.297 8.210 -0.125 -0.207 0.420 83 V N 4.546 124.433 119.914 -0.045 0.000 2.394 83 V HA 0.377 4.704 4.120 0.018 -0.197 0.282 83 V C -1.290 174.765 176.094 -0.065 0.000 1.031 83 V CA -2.961 59.331 62.300 -0.012 0.000 0.881 83 V CB 0.191 32.031 31.823 0.028 0.000 0.982 83 V HN 0.253 8.412 8.190 -0.052 0.000 0.451 84 P HA 0.542 5.233 4.420 0.052 -0.240 0.298 84 P C -1.052 176.276 177.300 0.046 0.000 1.314 84 P CA -1.882 61.240 63.100 0.036 0.000 0.854 84 P CB 1.489 33.223 31.700 0.056 0.000 1.019 85 T N 6.899 121.503 114.554 0.083 0.000 2.739 85 T HA 0.157 4.654 4.350 0.044 -0.120 0.298 85 T C -0.376 174.390 174.700 0.110 0.000 0.929 85 T CA 0.688 62.844 62.100 0.094 0.000 1.014 85 T CB -0.105 68.809 68.868 0.076 0.000 0.914 85 T HN 0.109 8.423 8.240 0.123 0.000 0.509 86 T N 11.242 125.821 114.554 0.041 0.000 2.781 86 T HA 0.385 4.807 4.350 -0.194 -0.188 0.305 86 T C -1.637 172.965 174.700 -0.162 0.000 1.001 86 T CA 0.154 62.180 62.100 -0.124 0.000 0.950 86 T CB 0.671 69.462 68.868 -0.129 0.000 0.955 86 T HN 1.202 9.395 8.240 0.088 0.100 0.471 87 V N 7.503 127.299 119.914 -0.196 0.000 2.398 87 V HA 0.473 4.799 4.120 0.069 -0.165 0.286 87 V C -2.662 173.321 176.094 -0.185 0.000 1.026 87 V CA -2.692 59.573 62.300 -0.058 0.000 0.868 87 V CB 2.393 34.283 31.823 0.113 0.000 0.982 87 V HN 1.039 8.999 8.190 -0.205 0.107 0.443 88 F N 8.583 128.626 119.950 0.154 0.000 2.391 88 F HA 0.118 4.694 4.527 0.081 0.000 0.359 88 F C -1.456 174.457 175.800 0.189 0.000 1.122 88 F CA -0.793 57.301 58.000 0.156 0.000 1.120 88 F CB 0.789 39.921 39.000 0.220 0.000 1.142 88 F HN 1.054 9.559 8.300 0.528 0.112 0.483 89 L N 2.683 124.057 121.223 0.250 0.000 2.346 89 L HA 0.788 5.493 4.340 0.280 -0.197 0.274 89 L C 0.001 176.972 176.870 0.169 0.000 1.007 89 L CA -1.280 53.691 54.840 0.219 0.000 0.818 89 L CB 2.228 44.380 42.059 0.156 0.000 1.284 89 L HN 0.238 8.565 8.230 0.162 0.000 0.424 90 D N 2.378 122.865 120.400 0.145 0.000 2.348 90 D HA -0.047 4.634 4.640 0.067 0.000 0.272 90 D C 1.565 177.919 176.300 0.090 0.000 1.237 90 D CA -0.161 53.890 54.000 0.085 0.000 1.042 90 D CB 2.100 42.925 40.800 0.042 0.000 1.117 90 D HN -0.365 8.110 8.370 0.174 0.000 0.548 91 K N -1.206 119.239 120.400 0.074 0.000 2.074 91 K HA -0.352 4.185 4.320 0.087 -0.164 0.209 91 K C 0.474 177.120 176.600 0.076 0.000 1.048 91 K CA 3.111 59.445 56.287 0.079 0.000 0.926 91 K CB -0.363 32.181 32.500 0.074 0.000 0.713 91 K HN 0.452 8.737 8.250 0.058 0.000 0.444 92 E N -3.318 116.929 120.200 0.078 0.000 2.463 92 E HA -0.003 4.388 4.350 0.068 0.000 0.193 92 E C 0.121 176.778 176.600 0.095 0.000 1.041 92 E CA -0.932 55.514 56.400 0.077 0.000 0.879 92 E CB -0.591 29.151 29.700 0.070 0.000 0.997 92 E HN 0.031 8.438 8.360 0.078 0.000 0.478 93 G N 0.278 109.145 108.800 0.112 0.000 2.164 93 G HA2 -0.281 3.763 3.960 0.141 0.000 0.212 93 G HA3 -0.281 3.771 3.960 0.154 0.000 0.212 93 G C -0.970 174.045 174.900 0.192 0.000 1.031 93 G CA -0.097 45.093 45.100 0.150 0.000 0.730 93 G HN -0.079 8.078 8.290 0.105 0.196 0.501 94 N N 0.855 119.657 118.700 0.171 0.000 2.406 94 N HA -0.232 4.617 4.740 0.181 0.000 0.265 94 N C -0.523 175.145 175.510 0.264 0.000 1.203 94 N CA 0.030 53.197 53.050 0.194 0.000 0.945 94 N CB 0.228 38.814 38.487 0.165 0.000 1.165 94 N HN -0.339 8.126 8.380 0.141 0.000 0.485 95 K N 7.037 127.610 120.400 0.288 0.000 2.315 95 K HA -0.211 4.326 4.320 0.361 0.000 0.281 95 K C -1.118 175.672 176.600 0.316 0.000 1.086 95 K CA 1.150 57.634 56.287 0.329 0.000 1.042 95 K CB -0.549 32.145 32.500 0.323 0.000 0.949 95 K HN 0.246 8.651 8.250 0.258 0.000 0.450 96 F N 9.070 129.148 119.950 0.212 0.000 2.315 96 F HA -0.016 4.604 4.527 0.156 0.000 0.284 96 F C -1.419 174.545 175.800 0.273 0.000 1.049 96 F CA 0.998 59.118 58.000 0.200 0.000 1.323 96 F CB 2.371 41.474 39.000 0.172 0.000 1.113 96 F HN 0.158 8.752 8.300 0.489 0.000 0.544 97 Y N 0.372 120.802 120.300 0.218 0.000 2.354 97 Y HA 0.282 4.785 4.550 -0.077 0.000 0.330 97 Y C -2.841 173.244 175.900 0.310 0.000 1.011 97 Y CA -1.327 56.847 58.100 0.124 0.000 1.099 97 Y CB 2.770 41.319 38.460 0.148 0.000 1.179 97 Y HN -0.659 7.980 8.280 0.597 0.000 0.442 98 V N 3.534 123.244 119.914 -0.340 0.000 2.612 98 V HA 0.610 4.863 4.120 -0.031 -0.151 0.301 98 V C -1.781 173.987 176.094 -0.543 0.000 1.046 98 V CA -2.550 59.598 62.300 -0.253 0.000 0.946 98 V CB 2.082 33.839 31.823 -0.110 0.000 1.003 98 V HN 0.160 8.127 8.190 -0.372 0.000 0.459 99 H N 5.467 124.366 119.070 -0.284 0.000 3.096 99 H HA 0.352 4.760 4.556 -0.246 0.000 0.335 99 H C -1.552 173.747 175.328 -0.049 0.000 0.990 99 H CA -0.098 55.850 56.048 -0.167 0.000 1.393 99 H CB 3.450 33.270 29.762 0.096 0.000 1.742 99 H HN 0.596 8.784 8.280 0.020 0.104 0.501 100 Q N 6.863 126.544 119.800 -0.198 0.000 2.398 100 Q HA 0.402 4.927 4.340 -0.001 -0.186 0.251 100 Q C -0.455 175.491 176.000 -0.091 0.000 0.999 100 Q CA -0.575 55.172 55.803 -0.094 0.000 0.874 100 Q CB 0.717 29.380 28.738 -0.125 0.000 1.215 100 Q HN 0.508 8.547 8.270 -0.386 0.000 0.470 101 G N 3.620 112.459 108.800 0.066 0.000 2.333 101 G HA2 -0.188 3.732 3.960 -0.066 0.000 0.330 101 G HA3 -0.188 3.808 3.960 0.062 0.000 0.330 101 G C -2.352 172.653 174.900 0.174 0.000 1.465 101 G CA 0.153 45.291 45.100 0.064 0.000 0.996 101 G HN 0.286 8.639 8.290 0.105 0.000 0.655 102 L N 0.141 121.411 121.223 0.078 0.000 2.439 102 L HA 0.107 4.515 4.340 0.114 0.000 0.269 102 L C -0.746 176.197 176.870 0.122 0.000 1.179 102 L CA 0.685 55.592 54.840 0.111 0.000 0.828 102 L CB 0.952 43.092 42.059 0.135 0.000 1.106 102 L HN 0.167 8.391 8.230 -0.008 0.000 0.467 103 M N 2.548 122.203 119.600 0.091 0.000 3.053 103 M HA 0.346 4.855 4.480 0.049 0.000 0.281 103 M C -1.630 174.715 176.300 0.075 0.000 1.304 103 M CA -0.812 54.517 55.300 0.048 0.000 0.767 103 M CB 4.054 36.635 32.600 -0.032 0.000 1.730 103 M HN -0.029 8.322 8.290 0.103 0.000 0.437 104 R N -2.024 118.514 120.500 0.063 0.000 2.888 104 R HA 0.301 4.805 4.340 0.111 -0.098 0.264 104 R C 0.356 176.710 176.300 0.090 0.000 1.045 104 R CA -2.087 54.065 56.100 0.087 0.000 0.962 104 R CB 2.677 33.022 30.300 0.075 0.000 1.210 104 R HN 0.031 8.321 8.270 0.035 0.000 0.479 105 K N 1.806 122.284 120.400 0.130 0.000 2.032 105 K HA -0.532 3.879 4.320 0.152 0.000 0.218 105 K C 1.518 178.163 176.600 0.075 0.000 1.054 105 K CA 4.722 61.092 56.287 0.138 0.000 0.941 105 K CB -0.207 32.409 32.500 0.193 0.000 0.720 105 K HN 0.593 9.356 8.250 0.164 -0.414 0.449 106 N N -2.412 116.316 118.700 0.046 0.000 2.061 106 N HA -0.307 4.438 4.740 0.008 0.000 0.193 106 N C 2.307 177.804 175.510 -0.021 0.000 1.030 106 N CA 3.713 56.768 53.050 0.009 0.000 0.856 106 N CB -0.359 38.128 38.487 0.000 0.000 1.023 106 N HN 0.459 8.871 8.380 0.053 0.000 0.424 107 N N -0.674 118.014 118.700 -0.020 0.000 2.171 107 N HA -0.174 4.513 4.740 -0.088 0.000 0.184 107 N C 2.363 177.815 175.510 -0.097 0.000 1.021 107 N CA 2.688 55.698 53.050 -0.066 0.000 0.854 107 N CB -0.137 38.316 38.487 -0.056 0.000 0.994 107 N HN -0.634 7.735 8.380 0.005 0.014 0.426 108 I N 1.294 121.858 120.570 -0.010 0.000 2.179 108 I HA -0.506 3.731 4.170 0.111 0.000 0.242 108 I C 1.994 178.080 176.117 -0.052 0.000 1.088 108 I CA 4.592 65.930 61.300 0.064 0.000 1.357 108 I CB -0.115 37.988 38.000 0.172 0.000 1.051 108 I HN 0.373 8.598 8.210 0.026 0.000 0.409 109 E N -0.648 119.528 120.200 -0.040 0.000 2.110 109 E HA -0.366 3.926 4.350 -0.097 0.000 0.193 109 E C 2.617 179.136 176.600 -0.136 0.000 0.988 109 E CA 3.522 59.878 56.400 -0.073 0.000 0.804 109 E CB -0.015 29.678 29.700 -0.012 0.000 0.745 109 E HN 0.289 8.649 8.360 -0.001 0.000 0.458 110 T N 1.670 116.138 114.554 -0.144 0.000 2.788 110 T HA -0.267 4.001 4.350 -0.136 0.000 0.268 110 T C 2.217 176.762 174.700 -0.257 0.000 1.044 110 T CA 4.647 66.646 62.100 -0.169 0.000 1.139 110 T CB -0.438 68.341 68.868 -0.148 0.000 0.867 110 T HN 0.027 8.197 8.240 -0.117 0.000 0.454 111 I N 1.322 121.657 120.570 -0.391 0.000 2.439 111 I HA -0.224 3.658 4.170 -0.479 0.000 0.251 111 I C 2.016 177.860 176.117 -0.455 0.000 1.139 111 I CA 1.296 62.241 61.300 -0.593 0.000 1.438 111 I CB -1.482 35.778 38.000 -1.234 0.000 1.085 111 I HN -0.496 7.386 8.210 -0.373 0.104 0.427 112 L N -0.581 120.430 121.223 -0.352 0.000 2.046 112 L HA -0.510 3.731 4.340 -0.166 0.000 0.208 112 L C 1.978 178.728 176.870 -0.200 0.000 1.077 112 L CA 3.626 58.320 54.840 -0.243 0.000 0.747 112 L CB -1.081 40.769 42.059 -0.349 0.000 0.896 112 L HN -0.164 7.857 8.230 -0.347 0.000 0.432 113 N N -2.165 116.422 118.700 -0.189 0.000 2.223 113 N HA -0.323 4.343 4.740 -0.123 0.000 0.185 113 N C 2.104 177.513 175.510 -0.169 0.000 1.016 113 N CA 2.943 55.904 53.050 -0.149 0.000 0.863 113 N CB 0.077 38.489 38.487 -0.126 0.000 0.983 113 N HN -0.204 7.984 8.380 -0.201 0.071 0.429 114 S N -0.308 115.267 115.700 -0.209 0.000 2.414 114 S HA -0.181 4.171 4.470 -0.196 0.000 0.227 114 S C 1.020 175.391 174.600 -0.382 0.000 1.022 114 S CA 2.577 60.637 58.200 -0.234 0.000 0.958 114 S CB 0.118 63.209 63.200 -0.181 0.000 0.797 114 S HN -0.482 7.532 8.310 -0.231 0.157 0.493 115 L N -2.293 118.736 121.223 -0.322 0.000 2.007 115 L HA -0.372 3.601 4.340 -0.612 0.000 0.205 115 L C 0.687 177.408 176.870 -0.249 0.000 1.073 115 L CA 2.066 56.703 54.840 -0.338 0.000 0.744 115 L CB 0.311 42.300 42.059 -0.118 0.000 0.898 115 L HN -0.433 7.551 8.230 -0.241 0.101 0.435 116 G N -6.867 101.840 108.800 -0.155 0.000 3.675 116 G HA2 -0.227 3.667 3.960 -0.110 0.000 0.206 116 G HA3 -0.227 3.675 3.960 -0.095 0.000 0.206 116 G C -0.877 173.994 174.900 -0.049 0.000 1.086 116 G CA -0.444 44.594 45.100 -0.103 0.000 0.894 116 G HN -0.257 7.947 8.290 -0.144 0.000 0.412 117 V N 1.091 120.993 119.914 -0.020 0.000 5.915 117 V HA -0.645 3.515 4.120 0.068 0.000 0.250 117 V C -0.266 175.864 176.094 0.061 0.000 0.647 117 V CA 0.654 62.978 62.300 0.039 0.000 0.573 117 V CB -2.287 29.560 31.823 0.039 0.000 0.266 117 V HN -0.400 7.900 8.190 -0.031 -0.128 0.580 118 K N 0.118 120.555 120.400 0.061 0.000 2.044 118 K HA -0.135 4.217 4.320 0.053 0.000 0.204 118 K C 0.740 177.432 176.600 0.155 0.000 1.045 118 K CA 1.735 58.066 56.287 0.074 0.000 0.951 118 K CB 0.259 32.789 32.500 0.050 0.000 0.738 118 K HN 0.146 8.428 8.250 0.054 0.000 0.443 119 E N -1.631 118.665 120.200 0.160 0.000 2.397 119 E HA -0.174 4.377 4.350 0.336 0.000 0.254 119 E C 1.150 177.824 176.600 0.123 0.000 1.231 119 E CA 0.418 56.923 56.400 0.175 0.000 0.954 119 E CB 0.478 30.250 29.700 0.120 0.000 1.024 119 E HN -0.595 7.838 8.360 0.121 0.000 0.481 120 G N 0.512 109.340 108.800 0.046 0.000 2.144 120 G HA2 -0.325 3.805 3.960 0.283 0.000 0.218 120 G HA3 -0.325 3.865 3.960 0.161 -0.133 0.218 120 G C -0.358 174.599 174.900 0.095 0.000 0.988 120 G CA 0.437 45.631 45.100 0.157 0.000 0.659 120 G HN 0.588 8.834 8.290 -0.074 0.000 0.522 121 H N 0.236 119.269 119.070 -0.062 0.000 3.268 121 H HA 0.068 4.609 4.556 -0.026 0.000 0.213 121 H C -0.773 174.313 175.328 -0.403 0.000 1.858 121 H CA -0.953 54.992 56.048 -0.172 0.000 1.386 121 H CB -2.233 27.428 29.762 -0.169 0.000 1.734 121 H HN -0.493 7.571 8.280 -0.564 -0.123 0.612 122 H N -0.084 119.036 119.070 0.083 0.000 2.885 122 H HA -0.010 4.604 4.556 0.098 0.000 0.254 122 H C -1.071 174.338 175.328 0.134 0.000 1.185 122 H CA -0.169 55.925 56.048 0.077 0.000 1.029 122 H CB 0.699 30.458 29.762 -0.004 0.000 1.743 122 H HN -0.170 8.123 8.280 0.158 0.082 0.632 123 H N 2.206 121.364 119.070 0.147 0.000 2.819 123 H HA -0.038 4.624 4.556 0.176 0.000 0.303 123 H C -0.101 175.299 175.328 0.119 0.000 1.058 123 H CA -0.097 56.029 56.048 0.129 0.000 1.471 123 H CB 0.246 30.046 29.762 0.064 0.000 1.480 123 H HN -0.352 8.033 8.280 0.291 0.069 0.517 124 H N 4.681 123.635 119.070 -0.193 0.000 3.070 124 H HA -0.149 4.405 4.556 -0.004 0.000 0.313 124 H C -0.123 175.199 175.328 -0.010 0.000 0.997 124 H CA -0.459 55.517 56.048 -0.121 0.000 1.438 124 H CB 0.793 30.423 29.762 -0.219 0.000 1.455 124 H HN 0.305 8.611 8.280 0.044 0.000 0.575 125 H N 0.441 119.542 119.070 0.052 0.000 2.495 125 H HA -0.065 4.533 4.556 0.069 0.000 0.287 125 H C 0.098 175.491 175.328 0.109 0.000 1.033 125 H CA 0.930 57.018 56.048 0.066 0.000 1.307 125 H CB 0.571 30.386 29.762 0.089 0.000 1.401 125 H HN 0.384 8.774 8.280 0.183 0.000 0.555 126 H N 0.000 118.793 119.070 -0.462 0.000 2.539 126 H HA 0.000 4.510 4.556 -0.077 0.000 0.296 126 H CA 0.000 55.925 56.048 -0.205 0.000 1.023 126 H CB 0.000 29.647 29.762 -0.191 0.000 1.292 126 H HN 0.000 7.963 8.280 -0.469 0.036 0.496