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 1rou_1_A DATA FIRST_RESID 21 DATA SEQUENCE GVDISPKQDE GVLKVIKREG TGTETPMIGD RVFVHYTGWL LDGTKFDSSL DATA SEQUENCE DRKDKFSFDL GKGEVIKAWD IAVATMKVGE LCRITCKPEY AYGSAGSPPK DATA SEQUENCE IPPNATLVFE VELFEFKG 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 21 G HA2 0.000 nan 3.960 nan 0.000 0.244 21 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 21 G C 0.000 174.900 174.900 0.001 0.000 0.946 21 G CA 0.000 45.102 45.100 0.002 0.000 0.502 22 V N -0.705 119.209 119.914 -0.000 0.000 5.502 22 V HA 0.544 4.661 4.120 -0.006 0.000 0.283 22 V C -1.798 174.292 176.094 -0.006 0.000 1.523 22 V CA -2.267 60.030 62.300 -0.005 0.000 0.749 22 V CB 1.908 33.727 31.823 -0.007 0.000 1.393 22 V HN -0.250 7.941 8.190 0.001 0.000 0.425 23 D N -2.128 118.263 120.400 -0.014 0.000 2.744 23 D HA 0.441 5.182 4.640 -0.020 -0.113 0.304 23 D C -0.638 175.638 176.300 -0.040 0.000 1.179 23 D CA -0.737 53.248 54.000 -0.025 0.000 1.024 23 D CB 3.395 44.179 40.800 -0.025 0.000 1.453 23 D HN -0.377 7.984 8.370 -0.015 0.000 0.529 24 I N -6.300 114.229 120.570 -0.067 0.000 8.930 24 I HA -0.290 3.912 4.170 -0.115 -0.101 0.309 24 I C -2.709 173.339 176.117 -0.116 0.000 1.882 24 I CA 0.678 61.926 61.300 -0.088 0.000 2.029 24 I CB -0.077 37.889 38.000 -0.057 0.000 3.922 24 I HN 0.707 8.766 8.210 -0.081 0.102 0.183 25 S N -0.072 115.544 115.700 -0.139 0.000 2.498 25 S HA 0.494 4.928 4.470 -0.060 0.000 0.317 25 S C -1.460 173.132 174.600 -0.013 0.000 1.090 25 S CA -2.745 55.396 58.200 -0.099 0.000 1.089 25 S CB 0.942 64.011 63.200 -0.219 0.000 0.997 25 S HN -0.014 8.249 8.310 -0.217 -0.083 0.470 26 P HA -0.084 4.341 4.420 0.008 0.000 0.290 26 P C -1.497 175.823 177.300 0.034 0.000 1.584 26 P CA 0.682 63.794 63.100 0.020 0.000 0.813 26 P CB -1.350 30.362 31.700 0.019 0.000 1.775 27 K N -3.759 116.668 120.400 0.045 0.000 3.183 27 K HA 0.015 4.357 4.320 0.037 0.000 0.233 27 K C 1.119 177.753 176.600 0.057 0.000 2.202 27 K CA 0.705 57.025 56.287 0.055 0.000 1.490 27 K CB 0.236 32.779 32.500 0.072 0.000 2.493 27 K HN 0.299 8.460 8.250 0.036 0.111 0.551 28 Q N 0.285 120.137 119.800 0.086 0.000 2.269 28 Q HA -0.002 4.375 4.340 0.061 0.000 0.201 28 Q C 0.389 176.391 176.000 0.002 0.000 0.946 28 Q CA 0.959 56.802 55.803 0.067 0.000 0.877 28 Q CB 0.719 29.547 28.738 0.151 0.000 0.963 28 Q HN -0.072 8.281 8.270 0.137 0.000 0.472 29 D N -4.117 116.264 120.400 -0.032 0.000 2.202 29 D HA -0.406 4.303 4.640 -0.054 -0.102 0.165 29 D C 0.079 176.321 176.300 -0.096 0.000 1.170 29 D CA 2.492 56.461 54.000 -0.053 0.000 1.110 29 D CB -2.211 38.574 40.800 -0.026 0.000 1.160 29 D HN 0.257 8.616 8.370 -0.019 0.000 0.496 30 E N 0.329 120.447 120.200 -0.136 0.000 2.166 30 E HA -0.066 4.211 4.350 -0.122 0.000 0.192 30 E C 1.238 177.644 176.600 -0.323 0.000 0.967 30 E CA 0.294 56.590 56.400 -0.174 0.000 0.840 30 E CB 0.306 29.931 29.700 -0.124 0.000 0.795 30 E HN -0.304 7.883 8.360 -0.140 0.089 0.470 31 G N -0.706 107.696 108.800 -0.663 0.000 2.553 31 G HA2 -0.242 2.949 3.960 -1.282 0.000 0.218 31 G HA3 -0.242 2.023 3.960 -2.825 0.000 0.218 31 G C -0.830 173.684 174.900 -0.644 0.000 1.195 31 G CA 2.157 46.457 45.100 -1.333 0.000 0.779 31 G HN -0.181 7.871 8.290 -0.536 -0.084 0.577 32 V N -3.141 116.552 119.914 -0.369 0.000 3.987 32 V HA 0.928 5.148 4.120 -0.065 -0.138 0.314 32 V C -1.907 174.157 176.094 -0.050 0.000 1.610 32 V CA -1.934 60.307 62.300 -0.098 0.000 0.898 32 V CB 3.025 34.877 31.823 0.048 0.000 1.081 32 V HN -1.004 6.860 8.190 -0.379 0.099 0.476 33 L N -4.551 116.675 121.223 0.006 0.000 4.077 33 L HA -0.077 4.275 4.340 0.021 0.000 0.191 33 L C -3.029 173.856 176.870 0.026 0.000 1.032 33 L CA 0.889 55.734 54.840 0.009 0.000 1.006 33 L CB 1.341 43.396 42.059 -0.006 0.000 1.330 33 L HN -0.197 8.052 8.230 0.031 0.000 0.361 34 K N -2.766 117.646 120.400 0.020 0.000 2.550 34 K HA 0.443 4.942 4.320 0.039 -0.155 0.252 34 K C -1.459 175.151 176.600 0.017 0.000 0.943 34 K CA -1.095 55.208 56.287 0.026 0.000 0.806 34 K CB 2.533 35.048 32.500 0.025 0.000 1.289 34 K HN -0.265 7.977 8.250 0.011 0.014 0.435 35 V N 3.247 123.173 119.914 0.020 0.000 2.439 35 V HA -0.084 4.195 4.120 0.007 -0.155 0.271 35 V C -0.520 175.581 176.094 0.012 0.000 1.040 35 V CA -0.652 61.654 62.300 0.011 0.000 1.002 35 V CB 0.061 31.887 31.823 0.005 0.000 1.000 35 V HN 0.733 8.829 8.190 0.031 0.113 0.477 36 I N 7.499 128.074 120.570 0.009 0.000 2.428 36 I HA -0.094 4.083 4.170 0.012 0.000 0.289 36 I C -0.519 175.605 176.117 0.012 0.000 1.019 36 I CA -0.357 60.949 61.300 0.011 0.000 1.351 36 I CB -0.243 37.762 38.000 0.009 0.000 1.412 36 I HN 0.352 8.566 8.210 0.006 0.000 0.513 37 K N 7.180 127.589 120.400 0.016 0.000 2.363 37 K HA 0.127 4.456 4.320 0.014 0.000 0.215 37 K C 0.361 176.974 176.600 0.021 0.000 1.179 37 K CA 0.043 56.341 56.287 0.018 0.000 0.856 37 K CB 2.505 35.019 32.500 0.023 0.000 1.371 37 K HN 0.308 8.568 8.250 0.017 0.000 0.455 38 R N 3.007 123.522 120.500 0.024 0.000 2.335 38 R HA 0.244 4.599 4.340 0.026 0.000 0.302 38 R C -1.366 174.950 176.300 0.027 0.000 1.147 38 R CA -1.416 54.701 56.100 0.028 0.000 1.111 38 R CB 0.697 31.018 30.300 0.035 0.000 1.122 38 R HN -0.421 7.863 8.270 0.023 0.000 0.557 39 E N 6.458 126.673 120.200 0.024 0.000 2.425 39 E HA -0.188 4.298 4.350 0.025 -0.121 0.258 39 E C -0.083 176.537 176.600 0.034 0.000 1.151 39 E CA -0.202 56.214 56.400 0.026 0.000 0.958 39 E CB 0.300 30.013 29.700 0.022 0.000 0.968 39 E HN 0.186 8.559 8.360 0.021 0.000 0.451 40 G N -0.848 107.977 108.800 0.041 0.000 2.651 40 G HA2 0.013 4.004 3.960 0.052 0.000 0.260 40 G HA3 0.013 4.012 3.960 0.066 0.000 0.260 40 G C 0.042 174.968 174.900 0.043 0.000 1.216 40 G CA -0.325 44.806 45.100 0.051 0.000 0.913 40 G HN -0.288 8.245 8.290 0.041 -0.218 0.535 41 T N -2.414 112.165 114.554 0.042 0.000 2.990 41 T HA 0.012 4.378 4.350 0.028 0.000 0.237 41 T C 1.543 176.261 174.700 0.030 0.000 1.009 41 T CA 0.936 63.054 62.100 0.030 0.000 1.195 41 T CB 1.076 69.959 68.868 0.025 0.000 0.885 41 T HN -0.171 8.099 8.240 0.050 0.000 0.424 42 G N 3.168 111.986 108.800 0.029 0.000 2.439 42 G HA2 0.161 4.137 3.960 0.027 0.000 0.298 42 G HA3 0.161 4.131 3.960 0.017 0.000 0.298 42 G C 0.013 174.957 174.900 0.073 0.000 1.044 42 G CA -0.467 44.654 45.100 0.035 0.000 1.168 42 G HN -0.023 8.280 8.290 0.022 0.000 0.433 43 T N 3.686 118.277 114.554 0.062 0.000 2.869 43 T HA -0.363 4.025 4.350 0.064 0.000 0.270 43 T C 0.502 175.256 174.700 0.089 0.000 1.082 43 T CA 1.480 63.620 62.100 0.066 0.000 1.123 43 T CB -0.143 68.751 68.868 0.043 0.000 0.856 43 T HN 0.044 8.311 8.240 0.046 0.000 0.499 44 E N 1.658 121.931 120.200 0.122 0.000 2.418 44 E HA -0.022 4.384 4.350 0.093 0.000 0.261 44 E C -0.422 176.318 176.600 0.233 0.000 1.070 44 E CA 0.493 56.989 56.400 0.160 0.000 0.931 44 E CB 0.597 30.412 29.700 0.191 0.000 0.954 44 E HN -0.171 8.225 8.360 0.100 0.024 0.439 45 T N -2.343 112.236 114.554 0.042 0.000 2.942 45 T HA 0.481 4.735 4.350 -0.423 -0.158 0.289 45 T C -2.153 172.154 174.700 -0.656 0.000 1.044 45 T CA -3.609 58.306 62.100 -0.308 0.000 1.023 45 T CB 1.135 69.875 68.868 -0.212 0.000 1.123 45 T HN -0.045 8.222 8.240 0.045 0.000 0.512 46 P HA 0.253 4.421 4.420 -0.575 -0.093 0.278 46 P C -0.385 176.732 177.300 -0.306 0.000 1.238 46 P CA -0.723 61.915 63.100 -0.769 0.000 0.794 46 P CB 0.788 31.971 31.700 -0.862 0.000 0.955 47 M N 0.562 120.073 119.600 -0.149 0.000 2.368 47 M HA 0.270 4.695 4.480 -0.091 0.000 0.311 47 M C -0.493 175.759 176.300 -0.080 0.000 1.168 47 M CA -0.389 54.859 55.300 -0.087 0.000 1.044 47 M CB 1.032 33.611 32.600 -0.036 0.000 1.506 47 M HN -0.376 8.074 8.290 -0.106 -0.224 0.475 48 I N 0.474 121.013 120.570 -0.052 0.000 2.683 48 I HA -0.437 3.707 4.170 -0.043 0.000 0.286 48 I C 1.108 177.209 176.117 -0.026 0.000 1.175 48 I CA 1.390 62.669 61.300 -0.035 0.000 1.429 48 I CB -0.730 37.258 38.000 -0.020 0.000 1.371 48 I HN 0.052 8.236 8.210 -0.044 0.000 0.569 49 G N 8.110 116.897 108.800 -0.022 0.000 2.153 49 G HA2 -0.371 3.674 3.960 0.001 0.000 0.252 49 G HA3 -0.371 3.586 3.960 -0.005 0.000 0.252 49 G C -1.087 173.792 174.900 -0.034 0.000 0.994 49 G CA 0.148 45.239 45.100 -0.015 0.000 0.698 49 G HN 0.054 8.337 8.290 -0.011 0.000 0.521 50 D N -0.572 119.790 120.400 -0.063 0.000 2.253 50 D HA 0.082 4.706 4.640 -0.027 0.000 0.249 50 D C -1.259 174.969 176.300 -0.121 0.000 1.049 50 D CA -1.217 52.750 54.000 -0.055 0.000 0.929 50 D CB 1.934 42.723 40.800 -0.019 0.000 1.176 50 D HN -0.492 7.784 8.370 -0.081 0.045 0.437 51 R N 2.414 122.856 120.500 -0.097 0.000 2.267 51 R HA 0.317 4.671 4.340 -0.286 -0.185 0.319 51 R C -1.065 175.053 176.300 -0.303 0.000 1.067 51 R CA 0.126 56.086 56.100 -0.233 0.000 0.936 51 R CB 0.832 31.025 30.300 -0.178 0.000 1.006 51 R HN 0.259 8.517 8.270 -0.019 0.000 0.452 52 V N 1.850 121.470 119.914 -0.489 0.000 2.540 52 V HA 0.499 4.728 4.120 -0.025 -0.123 0.302 52 V C -2.461 173.373 176.094 -0.432 0.000 1.035 52 V CA -2.828 59.282 62.300 -0.317 0.000 0.873 52 V CB 2.133 33.762 31.823 -0.324 0.000 0.992 52 V HN 0.466 8.319 8.190 -0.561 0.000 0.428 53 F N 7.060 127.069 119.950 0.098 0.000 2.291 53 F HA 0.345 5.078 4.527 0.162 -0.109 0.368 53 F C -1.142 174.810 175.800 0.254 0.000 1.085 53 F CA -1.295 56.813 58.000 0.181 0.000 1.165 53 F CB -0.236 38.865 39.000 0.168 0.000 1.429 53 F HN 0.479 8.966 8.300 0.312 0.000 0.503 54 V N 1.931 122.017 119.914 0.286 0.000 3.109 54 V HA 0.455 4.629 4.120 -0.091 -0.109 0.317 54 V C -1.892 174.369 176.094 0.278 0.000 1.074 54 V CA -2.775 59.605 62.300 0.134 0.000 1.033 54 V CB 3.130 35.054 31.823 0.169 0.000 1.111 54 V HN 0.092 8.472 8.190 0.318 0.000 0.458 55 H N 3.280 122.337 119.070 -0.021 0.000 2.954 55 H HA 0.500 5.243 4.556 0.311 0.000 0.361 55 H C -2.220 173.148 175.328 0.067 0.000 1.122 55 H CA -1.167 54.966 56.048 0.142 0.000 1.217 55 H CB 3.077 33.020 29.762 0.301 0.000 1.776 55 H HN -0.061 8.083 8.280 -0.226 0.000 0.533 56 Y N 2.574 122.507 120.300 -0.612 0.000 2.524 56 Y HA 0.951 5.364 4.550 -0.457 -0.138 0.344 56 Y C -2.201 173.456 175.900 -0.404 0.000 1.012 56 Y CA -3.196 54.627 58.100 -0.462 0.000 1.068 56 Y CB 2.628 40.997 38.460 -0.151 0.000 1.249 56 Y HN 0.063 7.933 8.280 -0.683 0.000 0.468 57 T N 2.322 116.822 114.554 -0.090 0.000 2.912 57 T HA 0.377 4.655 4.350 -0.283 -0.098 0.288 57 T C -0.888 173.635 174.700 -0.294 0.000 1.030 57 T CA -0.992 60.965 62.100 -0.240 0.000 1.020 57 T CB 2.425 71.122 68.868 -0.284 0.000 1.056 57 T HN 0.757 8.898 8.240 0.016 0.109 0.480 58 G N 1.480 109.829 108.800 -0.751 0.000 2.746 58 G HA2 0.735 4.511 3.960 -0.520 0.000 0.297 58 G HA3 0.735 4.370 3.960 -0.661 -0.072 0.297 58 G C -2.895 171.497 174.900 -0.846 0.000 1.426 58 G CA 0.052 44.686 45.100 -0.776 0.000 0.989 58 G HN 0.597 8.392 8.290 -0.825 0.000 0.520 59 W N -0.723 120.626 121.300 0.081 0.000 2.950 59 W HA 0.757 5.813 4.660 0.361 -0.180 0.340 59 W C -2.027 174.588 176.519 0.161 0.000 1.139 59 W CA -1.499 55.980 57.345 0.223 0.000 1.188 59 W CB 4.384 33.893 29.460 0.081 0.000 1.426 59 W HN 0.952 9.068 8.180 0.078 0.112 0.531 60 L N 0.297 121.655 121.223 0.224 0.000 2.468 60 L HA 0.211 4.486 4.340 -0.108 0.000 0.254 60 L C 1.875 178.787 176.870 0.071 0.000 1.171 60 L CA -1.364 53.470 54.840 -0.011 0.000 0.809 60 L CB 2.253 44.239 42.059 -0.121 0.000 1.155 60 L HN 0.426 8.840 8.230 0.308 0.000 0.473 61 L N 1.597 122.827 121.223 0.012 0.000 2.187 61 L HA -0.286 4.070 4.340 0.027 0.000 0.213 61 L C 1.068 177.946 176.870 0.013 0.000 1.100 61 L CA 3.071 57.919 54.840 0.013 0.000 0.765 61 L CB -1.463 40.593 42.059 -0.005 0.000 0.904 61 L HN 0.166 8.379 8.230 -0.029 0.000 0.437 62 D N -1.346 119.064 120.400 0.016 0.000 2.378 62 D HA -0.083 4.562 4.640 0.007 0.000 0.227 62 D C 1.009 177.332 176.300 0.039 0.000 1.012 62 D CA -0.062 53.949 54.000 0.019 0.000 0.905 62 D CB -0.084 40.723 40.800 0.012 0.000 0.895 62 D HN -0.396 7.949 8.370 0.008 0.030 0.532 63 G N 0.426 109.267 108.800 0.069 0.000 2.248 63 G HA2 -0.375 3.630 3.960 0.076 0.000 0.263 63 G HA3 -0.375 3.604 3.960 0.033 0.000 0.263 63 G C -0.628 174.390 174.900 0.196 0.000 1.082 63 G CA 0.481 45.636 45.100 0.092 0.000 0.863 63 G HN -0.359 7.913 8.290 0.085 0.068 0.495 64 T N 2.686 117.389 114.554 0.250 0.000 2.772 64 T HA 0.154 4.623 4.350 0.198 0.000 0.288 64 T C -1.126 173.761 174.700 0.311 0.000 0.994 64 T CA -0.304 61.932 62.100 0.226 0.000 0.951 64 T CB 1.353 70.293 68.868 0.120 0.000 0.933 64 T HN -0.742 7.626 8.240 0.213 0.000 0.447 65 K N 9.652 130.209 120.400 0.261 0.000 2.110 65 K HA 0.020 4.328 4.320 -0.251 -0.139 0.260 65 K C -0.161 176.478 176.600 0.065 0.000 1.126 65 K CA -0.243 56.060 56.287 0.026 0.000 1.005 65 K CB -0.957 31.541 32.500 -0.003 0.000 1.336 65 K HN 0.602 8.995 8.250 0.238 0.000 0.369 66 F N 4.534 124.418 119.950 -0.111 0.000 2.325 66 F HA -0.016 4.486 4.527 -0.042 0.000 0.299 66 F C -0.475 175.296 175.800 -0.049 0.000 1.090 66 F CA 0.229 58.189 58.000 -0.066 0.000 1.392 66 F CB 0.345 39.311 39.000 -0.056 0.000 1.053 66 F HN -0.149 8.502 8.300 0.585 0.000 0.521 67 D N -1.549 118.551 120.400 -0.501 0.000 2.717 67 D HA 0.078 4.600 4.640 -0.196 0.000 0.223 67 D C -2.215 173.887 176.300 -0.330 0.000 1.240 67 D CA -0.759 53.015 54.000 -0.378 0.000 0.801 67 D CB 2.408 42.964 40.800 -0.408 0.000 1.556 67 D HN -0.620 7.383 8.370 -0.612 0.000 0.462 68 S N -0.541 114.988 115.700 -0.285 0.000 2.599 68 S HA 0.373 4.718 4.470 -0.486 -0.167 0.269 68 S C 0.435 174.851 174.600 -0.307 0.000 1.135 68 S CA -0.880 57.119 58.200 -0.335 0.000 1.027 68 S CB 1.816 64.913 63.200 -0.172 0.000 1.129 68 S HN 0.059 8.238 8.310 -0.218 0.000 0.458 69 S N 7.942 123.340 115.700 -0.503 0.000 2.382 69 S HA -0.198 4.205 4.470 -0.112 0.000 0.228 69 S C 1.806 176.412 174.600 0.011 0.000 1.027 69 S CA 2.677 60.785 58.200 -0.154 0.000 0.991 69 S CB 0.116 63.280 63.200 -0.060 0.000 0.823 69 S HN 0.378 8.091 8.310 -0.996 0.000 0.469 70 L N 2.544 123.745 121.223 -0.036 0.000 2.043 70 L HA -0.296 4.124 4.340 -0.161 -0.177 0.212 70 L C 2.247 179.072 176.870 -0.074 0.000 1.075 70 L CA 2.483 57.218 54.840 -0.175 0.000 0.752 70 L CB -0.617 41.212 42.059 -0.382 0.000 0.891 70 L HN -0.006 8.300 8.230 0.127 0.000 0.432 71 D N -2.011 118.361 120.400 -0.046 0.000 2.172 71 D HA -0.275 4.351 4.640 -0.024 0.000 0.196 71 D C 0.956 177.248 176.300 -0.013 0.000 0.999 71 D CA 2.447 56.431 54.000 -0.026 0.000 0.856 71 D CB -0.421 40.363 40.800 -0.026 0.000 0.934 71 D HN -0.233 8.075 8.370 -0.044 0.035 0.453 72 R N -1.393 119.105 120.500 -0.003 0.000 3.732 72 R HA 0.033 4.381 4.340 0.013 0.000 0.258 72 R C 0.304 176.616 176.300 0.019 0.000 1.661 72 R CA -1.335 54.775 56.100 0.017 0.000 1.424 72 R CB -0.979 29.343 30.300 0.037 0.000 1.308 72 R HN -0.513 7.698 8.270 -0.010 0.054 0.634 73 K N -2.242 118.160 120.400 0.002 0.000 3.300 73 K HA -0.302 4.011 4.320 -0.012 0.000 0.378 73 K C -1.182 175.413 176.600 -0.008 0.000 0.579 73 K CA 2.417 58.702 56.287 -0.003 0.000 1.666 73 K CB -0.762 31.741 32.500 0.004 0.000 1.092 73 K HN -0.149 7.989 8.250 -0.008 0.107 0.451 74 D N -3.704 116.701 120.400 0.008 0.000 2.752 74 D HA 0.208 4.837 4.640 -0.019 0.000 0.313 74 D C -1.395 174.939 176.300 0.056 0.000 1.225 74 D CA -1.108 52.900 54.000 0.014 0.000 0.976 74 D CB 3.082 43.898 40.800 0.027 0.000 1.443 74 D HN -0.625 7.657 8.370 0.024 0.102 0.515 75 K N -0.839 119.623 120.400 0.104 0.000 2.136 75 K HA -0.088 4.397 4.320 0.275 0.000 0.237 75 K C -0.178 176.619 176.600 0.327 0.000 1.048 75 K CA 0.704 57.151 56.287 0.268 0.000 0.880 75 K CB 0.861 33.570 32.500 0.348 0.000 1.105 75 K HN 0.030 8.323 8.250 0.071 0.000 0.507 76 F N 0.456 120.607 119.950 0.334 0.000 2.408 76 F HA 0.181 4.878 4.527 0.283 0.000 0.325 76 F C -1.737 174.252 175.800 0.314 0.000 1.082 76 F CA -0.644 57.552 58.000 0.325 0.000 1.032 76 F CB 2.339 41.596 39.000 0.428 0.000 1.259 76 F HN 0.180 8.728 8.300 0.564 0.090 0.503 77 S N 2.139 117.572 115.700 -0.445 0.000 2.570 77 S HA 0.669 5.321 4.470 -0.018 -0.192 0.286 77 S C -1.658 172.895 174.600 -0.079 0.000 1.143 77 S CA -0.782 57.318 58.200 -0.167 0.000 0.921 77 S CB 1.915 65.013 63.200 -0.171 0.000 1.108 77 S HN -0.044 7.327 8.310 -1.565 0.000 0.456 78 F N -1.117 118.739 119.950 -0.156 0.000 2.869 78 F HA 0.574 5.147 4.527 -0.070 -0.088 0.325 78 F C -2.853 172.899 175.800 -0.081 0.000 1.184 78 F CA -1.336 56.638 58.000 -0.044 0.000 0.951 78 F CB 2.862 41.968 39.000 0.178 0.000 1.421 78 F HN 0.184 8.439 8.300 -0.074 0.000 0.501 79 D N 0.463 120.977 120.400 0.190 0.000 2.440 79 D HA 0.369 5.086 4.640 -0.164 -0.176 0.239 79 D C -0.987 175.371 176.300 0.096 0.000 1.084 79 D CA -1.666 52.332 54.000 -0.003 0.000 0.843 79 D CB 2.333 43.153 40.800 0.034 0.000 1.097 79 D HN -0.097 8.724 8.370 0.486 -0.159 0.531 80 L N 7.389 128.518 121.223 -0.156 0.000 2.771 80 L HA -0.225 4.168 4.340 0.089 0.000 0.278 80 L C 0.627 177.588 176.870 0.151 0.000 1.175 80 L CA 1.292 56.122 54.840 -0.017 0.000 0.973 80 L CB 0.580 42.544 42.059 -0.159 0.000 1.286 80 L HN 0.366 8.420 8.230 -0.293 0.000 0.481 81 G N 4.000 112.972 108.800 0.286 0.000 2.314 81 G HA2 -0.475 3.551 3.960 0.110 0.000 0.292 81 G HA3 -0.475 3.619 3.960 0.084 -0.083 0.292 81 G C 0.182 175.136 174.900 0.090 0.000 1.059 81 G CA 1.011 46.194 45.100 0.138 0.000 0.982 81 G HN 0.458 9.098 8.290 0.583 0.000 0.505 82 K N -1.066 119.404 120.400 0.117 0.000 2.514 82 K HA 0.191 4.538 4.320 0.045 0.000 0.207 82 K C 0.886 177.509 176.600 0.038 0.000 1.035 82 K CA -1.775 54.553 56.287 0.070 0.000 1.113 82 K CB 0.114 32.669 32.500 0.092 0.000 0.846 82 K HN -0.721 7.653 8.250 0.207 0.000 0.491 83 G N 0.301 109.109 108.800 0.013 0.000 2.454 83 G HA2 -0.383 3.558 3.960 -0.032 0.000 0.225 83 G HA3 -0.383 3.573 3.960 -0.006 0.000 0.225 83 G C 0.163 175.044 174.900 -0.031 0.000 1.138 83 G CA 0.416 45.507 45.100 -0.015 0.000 0.667 83 G HN 0.288 8.594 8.290 0.026 0.000 0.512 84 E N 0.354 120.554 120.200 0.000 0.000 2.233 84 E HA -0.354 4.008 4.350 0.019 0.000 0.210 84 E C 0.151 176.692 176.600 -0.099 0.000 1.046 84 E CA 2.128 58.530 56.400 0.003 0.000 0.844 84 E CB 0.167 29.922 29.700 0.093 0.000 0.741 84 E HN -0.108 8.140 8.360 0.029 0.130 0.465 85 V N -7.183 112.589 119.914 -0.237 0.000 5.502 85 V HA 0.246 4.022 4.120 -0.573 0.000 0.283 85 V C -0.979 174.828 176.094 -0.478 0.000 1.523 85 V CA -1.821 60.169 62.300 -0.516 0.000 0.749 85 V CB 1.700 33.045 31.823 -0.796 0.000 1.393 85 V HN -0.584 7.496 8.190 -0.184 0.000 0.425 86 I N -7.468 112.715 120.570 -0.646 0.000 2.750 86 I HA 0.411 4.384 4.170 -0.328 0.000 0.308 86 I C 0.069 176.038 176.117 -0.247 0.000 1.016 86 I CA -1.925 59.099 61.300 -0.460 0.000 1.098 86 I CB 2.307 39.936 38.000 -0.619 0.000 1.279 86 I HN -0.493 7.268 8.210 -0.748 0.000 0.454 87 K N 2.852 123.142 120.400 -0.184 0.000 2.147 87 K HA -0.335 3.911 4.320 -0.122 0.000 0.205 87 K C 1.819 178.394 176.600 -0.042 0.000 1.049 87 K CA 3.113 59.301 56.287 -0.166 0.000 0.936 87 K CB 0.105 32.424 32.500 -0.301 0.000 0.722 87 K HN 0.194 8.323 8.250 -0.202 0.000 0.446 88 A N -1.365 121.508 122.820 0.088 0.000 1.940 88 A HA -0.248 4.334 4.320 0.437 0.000 0.219 88 A C 1.673 179.423 177.584 0.277 0.000 1.176 88 A CA 3.405 55.599 52.037 0.261 0.000 0.631 88 A CB -0.743 18.381 19.000 0.207 0.000 0.814 88 A HN 0.399 8.457 8.150 0.006 0.095 0.446 89 W N -2.392 118.826 121.300 -0.136 0.000 2.409 89 W HA -0.184 4.422 4.660 -0.090 0.000 0.299 89 W C 1.966 178.508 176.519 0.038 0.000 1.203 89 W CA 1.320 58.590 57.345 -0.125 0.000 1.298 89 W CB -0.614 28.635 29.460 -0.353 0.000 1.127 89 W HN -0.467 7.620 8.180 0.093 0.149 0.528 90 D N -0.644 119.906 120.400 0.250 0.000 2.149 90 D HA -0.300 4.499 4.640 0.266 0.000 0.198 90 D C 2.613 178.978 176.300 0.109 0.000 0.990 90 D CA 3.480 57.593 54.000 0.188 0.000 0.839 90 D CB -0.141 40.724 40.800 0.108 0.000 0.948 90 D HN -0.481 7.989 8.370 0.166 0.000 0.460 91 I N -0.375 120.263 120.570 0.113 0.000 2.110 91 I HA -0.443 3.773 4.170 0.077 0.000 0.236 91 I C 1.507 177.674 176.117 0.084 0.000 1.068 91 I CA 3.564 64.933 61.300 0.116 0.000 1.333 91 I CB -0.061 38.075 38.000 0.227 0.000 1.054 91 I HN -0.345 7.942 8.210 0.129 0.000 0.402 92 A N -1.065 121.813 122.820 0.095 0.000 1.969 92 A HA -0.024 4.314 4.320 0.029 0.000 0.218 92 A C 2.594 180.167 177.584 -0.017 0.000 1.169 92 A CA 2.705 54.765 52.037 0.039 0.000 0.635 92 A CB -0.316 18.715 19.000 0.053 0.000 0.810 92 A HN -0.383 7.853 8.150 0.143 0.000 0.445 93 V N -1.916 117.992 119.914 -0.010 0.000 2.591 93 V HA -0.381 3.673 4.120 -0.109 0.000 0.249 93 V C 2.276 178.295 176.094 -0.124 0.000 1.053 93 V CA 2.913 65.175 62.300 -0.064 0.000 1.068 93 V CB -0.974 30.860 31.823 0.017 0.000 0.689 93 V HN 0.291 8.424 8.190 0.060 0.094 0.462 94 A N 0.093 122.864 122.820 -0.081 0.000 1.948 94 A HA -0.190 4.011 4.320 -0.198 0.000 0.220 94 A C 1.008 178.515 177.584 -0.129 0.000 1.177 94 A CA 2.684 54.646 52.037 -0.124 0.000 0.636 94 A CB -0.244 18.721 19.000 -0.059 0.000 0.815 94 A HN -0.579 7.565 8.150 -0.009 0.000 0.449 95 T N -6.211 108.296 114.554 -0.078 0.000 3.194 95 T HA -0.133 4.178 4.350 -0.065 0.000 0.251 95 T C -0.358 174.299 174.700 -0.072 0.000 1.132 95 T CA 0.376 62.439 62.100 -0.062 0.000 1.028 95 T CB 0.007 68.860 68.868 -0.025 0.000 0.976 95 T HN -0.486 7.726 8.240 -0.047 0.000 0.535 96 M N 3.145 122.677 119.600 -0.112 0.000 2.180 96 M HA 0.259 4.914 4.480 -0.035 -0.196 0.350 96 M C -1.545 174.729 176.300 -0.042 0.000 1.125 96 M CA -1.456 53.800 55.300 -0.073 0.000 1.031 96 M CB 2.235 34.784 32.600 -0.084 0.000 1.623 96 M HN -0.612 7.398 8.290 -0.149 0.191 0.451 97 K N 4.879 125.317 120.400 0.062 0.000 2.102 97 K HA 0.376 5.046 4.320 0.232 -0.211 0.244 97 K C 0.531 177.331 176.600 0.334 0.000 1.021 97 K CA -0.994 55.406 56.287 0.189 0.000 0.913 97 K CB 1.337 33.904 32.500 0.111 0.000 1.062 97 K HN -0.276 8.266 8.250 0.034 -0.271 0.485 98 V N -0.191 119.929 119.914 0.344 0.000 2.540 98 V HA -0.431 3.660 4.120 -0.047 0.000 0.297 98 V C 0.407 176.539 176.094 0.063 0.000 1.024 98 V CA 2.402 64.743 62.300 0.068 0.000 1.105 98 V CB -0.596 31.171 31.823 -0.093 0.000 0.938 98 V HN -0.422 8.009 8.190 0.400 0.000 0.482 99 G N 5.743 114.579 108.800 0.060 0.000 2.184 99 G HA2 -0.538 3.489 3.960 0.112 0.000 0.264 99 G HA3 -0.538 3.461 3.960 0.065 0.000 0.264 99 G C -1.001 173.934 174.900 0.059 0.000 0.975 99 G CA 0.420 45.565 45.100 0.075 0.000 0.642 99 G HN 0.360 8.689 8.290 0.063 0.000 0.536 100 E N 1.145 121.377 120.200 0.052 0.000 2.390 100 E HA 0.329 4.857 4.350 0.037 -0.156 0.261 100 E C -1.907 174.695 176.600 0.003 0.000 1.076 100 E CA -0.112 56.308 56.400 0.033 0.000 0.905 100 E CB 1.832 31.558 29.700 0.042 0.000 0.984 100 E HN -0.787 7.532 8.360 0.078 0.088 0.427 101 L N 2.641 123.870 121.223 0.010 0.000 2.406 101 L HA 0.694 5.181 4.340 -0.020 -0.159 0.272 101 L C -1.746 175.131 176.870 0.012 0.000 0.980 101 L CA -1.268 53.576 54.840 0.006 0.000 0.831 101 L CB 3.365 45.441 42.059 0.028 0.000 1.253 101 L HN 0.563 8.696 8.230 0.021 0.110 0.406 102 C N 1.833 121.138 119.300 0.008 0.000 3.332 102 C HA 0.868 5.432 4.460 0.024 -0.089 0.329 102 C C -2.655 172.362 174.990 0.045 0.000 1.434 102 C CA -2.775 56.255 59.018 0.020 0.000 1.314 102 C CB 4.456 32.200 27.740 0.007 0.000 1.664 102 C HN 0.845 9.071 8.230 -0.008 0.000 0.457 103 R N -1.513 119.022 120.500 0.058 0.000 2.409 103 R HA 0.502 5.060 4.340 0.147 -0.130 0.313 103 R C -0.706 175.655 176.300 0.102 0.000 0.953 103 R CA -1.700 54.462 56.100 0.104 0.000 0.849 103 R CB 1.492 31.851 30.300 0.098 0.000 1.171 103 R HN 0.427 8.722 8.270 0.041 0.000 0.458 104 I N 6.210 126.871 120.570 0.152 0.000 2.588 104 I HA 0.129 4.501 4.170 0.108 -0.137 0.283 104 I C -0.264 175.962 176.117 0.181 0.000 1.119 104 I CA 0.651 62.052 61.300 0.167 0.000 1.419 104 I CB 0.738 38.883 38.000 0.242 0.000 1.394 104 I HN 0.964 9.195 8.210 0.195 0.096 0.562 105 T N 9.841 124.469 114.554 0.124 0.000 2.833 105 T HA 0.542 4.957 4.350 0.108 0.000 0.297 105 T C -1.004 173.746 174.700 0.084 0.000 1.015 105 T CA -0.321 61.834 62.100 0.092 0.000 0.963 105 T CB 0.396 69.290 68.868 0.042 0.000 0.955 105 T HN 0.303 8.607 8.240 0.107 0.000 0.449 106 C N 5.622 124.987 119.300 0.107 0.000 2.493 106 C HA 0.607 5.097 4.460 0.051 0.000 0.326 106 C C -1.866 173.140 174.990 0.026 0.000 1.200 106 C CA -3.318 55.752 59.018 0.087 0.000 1.739 106 C CB 3.204 31.054 27.740 0.183 0.000 2.300 106 C HN 0.903 9.199 8.230 0.111 0.000 0.500 107 K N 2.089 122.481 120.400 -0.013 0.000 2.182 107 K HA 0.427 4.736 4.320 -0.018 0.000 0.262 107 K C -1.186 175.415 176.600 0.003 0.000 0.957 107 K CA -3.538 52.733 56.287 -0.027 0.000 0.842 107 K CB 0.220 32.673 32.500 -0.078 0.000 1.099 107 K HN 0.045 8.278 8.250 -0.028 0.000 0.438 108 P HA -0.327 4.093 4.420 -0.000 0.000 0.219 108 P C 1.138 178.465 177.300 0.046 0.000 1.145 108 P CA 2.589 65.700 63.100 0.018 0.000 0.813 108 P CB 0.073 31.785 31.700 0.020 0.000 0.771 109 E N -1.958 118.288 120.200 0.076 0.000 2.110 109 E HA -0.267 4.133 4.350 0.084 0.000 0.193 109 E C 1.230 177.959 176.600 0.216 0.000 0.988 109 E CA 2.514 58.994 56.400 0.134 0.000 0.804 109 E CB -0.436 29.350 29.700 0.142 0.000 0.745 109 E HN -0.445 7.869 8.360 0.060 0.082 0.458 110 Y N -3.913 116.363 120.300 -0.040 0.000 2.490 110 Y HA -0.024 4.497 4.550 -0.048 0.000 0.281 110 Y C -1.220 174.612 175.900 -0.113 0.000 1.174 110 Y CA -0.244 57.824 58.100 -0.054 0.000 1.295 110 Y CB 0.311 38.754 38.460 -0.029 0.000 1.062 110 Y HN -0.549 7.928 8.280 0.327 0.000 0.522 111 A N 0.088 122.901 122.820 -0.013 0.000 2.905 111 A HA 0.219 4.344 4.320 -0.324 0.000 0.193 111 A C -0.957 176.510 177.584 -0.195 0.000 1.268 111 A CA -0.208 51.693 52.037 -0.226 0.000 1.416 111 A CB 0.491 19.346 19.000 -0.242 0.000 1.753 111 A HN -0.665 7.293 8.150 0.045 0.219 0.583 112 Y N -1.955 118.337 120.300 -0.013 0.000 2.495 112 Y HA 0.159 4.681 4.550 -0.046 0.000 0.293 112 Y C 1.544 177.424 175.900 -0.033 0.000 1.186 112 Y CA -1.234 56.843 58.100 -0.038 0.000 1.266 112 Y CB -1.362 37.063 38.460 -0.058 0.000 1.101 112 Y HN 0.143 8.284 8.280 -0.231 0.000 0.517 113 G N 1.502 110.348 108.800 0.076 0.000 2.484 113 G HA2 -0.319 3.712 3.960 0.041 0.000 0.215 113 G HA3 -0.319 3.727 3.960 0.035 -0.065 0.215 113 G C 1.011 175.933 174.900 0.036 0.000 1.219 113 G CA 1.458 46.585 45.100 0.046 0.000 0.791 113 G HN -0.344 7.839 8.290 0.046 0.135 0.550 114 S N 1.311 117.029 115.700 0.031 0.000 3.033 114 S HA -0.057 4.421 4.470 0.015 0.000 0.258 114 S C -1.023 173.589 174.600 0.020 0.000 1.207 114 S CA 0.008 58.220 58.200 0.019 0.000 1.248 114 S CB -2.323 60.885 63.200 0.013 0.000 0.932 114 S HN -0.121 8.208 8.310 0.033 0.000 0.472 115 A N 0.550 123.387 122.820 0.029 0.000 2.373 115 A HA 0.156 4.480 4.320 0.007 0.000 0.190 115 A C -1.108 176.480 177.584 0.007 0.000 1.544 115 A CA 0.425 52.475 52.037 0.022 0.000 1.699 115 A CB 1.083 20.106 19.000 0.037 0.000 1.614 115 A HN -0.363 7.703 8.150 0.031 0.103 0.667 116 G N -0.394 108.421 108.800 0.025 0.000 2.879 116 G HA2 -0.217 3.792 3.960 -0.023 0.000 0.686 116 G HA3 -0.217 3.760 3.960 -0.060 -0.054 0.686 116 G C -1.024 173.765 174.900 -0.184 0.000 1.115 116 G CA -0.443 44.627 45.100 -0.050 0.000 0.770 116 G HN -0.296 7.936 8.290 0.089 0.112 0.601 117 S N 3.106 118.547 115.700 -0.431 0.000 2.455 117 S HA 0.255 4.363 4.470 -0.604 0.000 0.278 117 S C 0.697 175.123 174.600 -0.289 0.000 1.216 117 S CA -2.311 55.517 58.200 -0.620 0.000 1.055 117 S CB 0.709 63.237 63.200 -1.121 0.000 0.939 117 S HN -0.056 8.043 8.310 -0.351 0.000 0.494 118 P HA -0.120 4.248 4.420 -0.087 0.000 0.225 118 P C -1.152 176.101 177.300 -0.079 0.000 1.154 118 P CA 2.745 65.784 63.100 -0.101 0.000 0.933 118 P CB -1.164 30.495 31.700 -0.068 0.000 0.790 119 P HA -0.033 4.368 4.420 -0.031 0.000 0.220 119 P C 0.302 177.570 177.300 -0.053 0.000 1.152 119 P CA 0.988 64.063 63.100 -0.041 0.000 0.812 119 P CB 0.183 31.877 31.700 -0.010 0.000 0.792 120 K N -4.594 115.753 120.400 -0.089 0.000 2.548 120 K HA 0.071 4.349 4.320 -0.069 0.000 0.193 120 K C -1.020 175.503 176.600 -0.128 0.000 1.714 120 K CA 0.305 56.538 56.287 -0.090 0.000 1.024 120 K CB 2.022 34.481 32.500 -0.068 0.000 1.484 120 K HN -0.606 7.572 8.250 -0.120 0.000 0.602 121 I N 4.666 125.123 120.570 -0.188 0.000 2.452 121 I HA 0.195 4.254 4.170 -0.186 0.000 0.287 121 I C -1.391 174.655 176.117 -0.119 0.000 1.079 121 I CA -1.813 59.368 61.300 -0.198 0.000 1.387 121 I CB -0.159 37.654 38.000 -0.312 0.000 1.404 121 I HN -0.640 7.450 8.210 -0.200 0.000 0.522 122 P HA 0.457 4.849 4.420 -0.048 0.000 0.281 122 P C -1.276 176.010 177.300 -0.024 0.000 1.281 122 P CA -1.842 61.230 63.100 -0.048 0.000 0.811 122 P CB -0.485 31.191 31.700 -0.041 0.000 1.154 123 P HA -0.076 4.595 4.420 0.017 -0.241 0.251 123 P C -1.736 175.567 177.300 0.006 0.000 1.251 123 P CA 0.313 63.415 63.100 0.004 0.000 0.763 123 P CB -0.989 30.712 31.700 0.001 0.000 1.067 124 N N -0.930 117.769 118.700 -0.002 0.000 2.700 124 N HA 0.027 4.768 4.740 0.003 0.000 0.242 124 N C -2.007 173.497 175.510 -0.010 0.000 1.541 124 N CA 0.303 53.351 53.050 -0.003 0.000 0.764 124 N CB 1.004 39.489 38.487 -0.005 0.000 1.319 124 N HN -0.596 7.668 8.380 -0.008 0.112 0.518 125 A N 1.406 124.220 122.820 -0.011 0.000 2.398 125 A HA 0.365 4.671 4.320 -0.023 0.000 0.301 125 A C -1.532 176.040 177.584 -0.020 0.000 1.041 125 A CA -0.561 51.463 52.037 -0.023 0.000 0.711 125 A CB 2.429 21.403 19.000 -0.044 0.000 1.240 125 A HN -0.397 7.753 8.150 -0.000 0.000 0.420 126 T N 2.273 116.815 114.554 -0.020 0.000 2.900 126 T HA -0.103 4.241 4.350 -0.010 0.000 0.307 126 T C -1.028 173.661 174.700 -0.018 0.000 1.065 126 T CA 1.610 63.701 62.100 -0.014 0.000 1.105 126 T CB 0.661 69.523 68.868 -0.010 0.000 0.979 126 T HN 0.053 8.281 8.240 -0.019 0.000 0.544 127 L N 2.017 123.237 121.223 -0.004 0.000 2.350 127 L HA 0.555 4.868 4.340 -0.045 0.000 0.260 127 L C -2.242 174.642 176.870 0.023 0.000 1.015 127 L CA -1.093 53.735 54.840 -0.020 0.000 0.821 127 L CB 4.929 46.972 42.059 -0.026 0.000 1.370 127 L HN 0.104 8.339 8.230 0.010 0.000 0.416 128 V N 0.943 120.842 119.914 -0.025 0.000 2.612 128 V HA 0.496 4.879 4.120 0.171 -0.160 0.301 128 V C -1.796 174.325 176.094 0.045 0.000 1.059 128 V CA -1.635 60.742 62.300 0.128 0.000 0.886 128 V CB 2.448 34.431 31.823 0.267 0.000 1.007 128 V HN 0.250 8.372 8.190 -0.113 0.000 0.426 129 F N 5.473 125.630 119.950 0.346 0.000 2.562 129 F HA 0.591 5.441 4.527 0.251 -0.172 0.319 129 F C -1.330 174.625 175.800 0.258 0.000 1.154 129 F CA -1.641 56.528 58.000 0.283 0.000 0.931 129 F CB 4.016 43.156 39.000 0.233 0.000 1.198 129 F HN 0.557 9.108 8.300 0.418 0.000 0.444 130 E N 4.674 125.165 120.200 0.486 0.000 2.089 130 E HA 0.363 4.997 4.350 0.252 -0.132 0.284 130 E C -1.624 175.044 176.600 0.113 0.000 1.023 130 E CA -1.147 55.448 56.400 0.326 0.000 0.819 130 E CB 1.598 31.592 29.700 0.490 0.000 1.076 130 E HN 0.934 9.415 8.360 0.402 0.120 0.396 131 V N 7.871 127.791 119.914 0.010 0.000 2.513 131 V HA 0.514 4.691 4.120 -0.195 -0.173 0.299 131 V C -1.871 174.131 176.094 -0.153 0.000 1.035 131 V CA -1.214 61.001 62.300 -0.141 0.000 0.889 131 V CB 2.526 34.200 31.823 -0.248 0.000 0.988 131 V HN 0.766 8.981 8.190 0.043 0.000 0.440 132 E N 6.716 126.763 120.200 -0.255 0.000 2.145 132 E HA 0.593 4.996 4.350 -0.179 -0.160 0.262 132 E C -2.024 174.241 176.600 -0.558 0.000 0.883 132 E CA -2.174 54.045 56.400 -0.303 0.000 0.748 132 E CB 3.163 32.732 29.700 -0.219 0.000 1.140 132 E HN 0.654 8.813 8.360 -0.333 0.000 0.417 133 L N 6.616 127.633 121.223 -0.344 0.000 2.257 133 L HA 0.188 4.328 4.340 -0.333 0.000 0.290 133 L C -0.891 175.882 176.870 -0.163 0.000 1.044 133 L CA -0.630 54.063 54.840 -0.245 0.000 0.810 133 L CB 1.111 43.167 42.059 -0.004 0.000 1.193 133 L HN 0.037 8.134 8.230 -0.223 0.000 0.425 134 F N 4.786 124.801 119.950 0.109 0.000 2.094 134 F HA -0.081 4.468 4.527 0.037 0.000 0.291 134 F C 0.146 175.919 175.800 -0.044 0.000 1.109 134 F CA 2.060 60.091 58.000 0.052 0.000 1.221 134 F CB 0.962 40.008 39.000 0.077 0.000 1.014 134 F HN 0.196 8.370 8.300 -0.210 0.000 0.473 135 E N -6.279 113.976 120.200 0.092 0.000 2.409 135 E HA 0.126 4.075 4.350 -0.668 0.000 0.280 135 E C -2.625 173.864 176.600 -0.184 0.000 1.079 135 E CA -0.306 55.932 56.400 -0.270 0.000 0.840 135 E CB 2.799 32.392 29.700 -0.178 0.000 1.309 135 E HN -0.917 7.579 8.360 0.227 0.000 0.447 136 F N -2.091 117.948 119.950 0.147 0.000 1.901 136 F HA 0.640 5.399 4.527 0.129 -0.155 0.224 136 F C 0.207 176.061 175.800 0.090 0.000 1.236 136 F CA -0.355 57.699 58.000 0.089 0.000 1.304 136 F CB 1.426 40.402 39.000 -0.040 0.000 1.866 136 F HN 0.224 7.701 8.300 -1.372 0.000 0.262 137 K N 4.871 125.413 120.400 0.238 0.000 2.243 137 K HA -0.137 4.263 4.320 0.133 0.000 0.232 137 K C -0.567 176.046 176.600 0.022 0.000 1.237 137 K CA 0.158 56.539 56.287 0.156 0.000 1.161 137 K CB -1.911 30.728 32.500 0.232 0.000 1.505 137 K HN 0.158 8.847 8.250 0.731 0.000 0.271 138 G N 0.000 108.801 108.800 0.002 0.000 5.446 138 G HA2 0.000 nan 3.960 nan 0.000 0.244 138 G HA3 0.000 3.907 3.960 -0.089 0.000 0.244 138 G CA 0.000 45.076 45.100 -0.040 0.000 0.502 138 G HN 0.000 8.188 8.290 0.043 0.128 0.925