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 1qhe_1_A DATA FIRST_RESID 2 DATA SEQUENCE KKIGLFYGTQ TGKTESVAEI IRDEFGNDVV TLHDVSQAEV TDLNDYQYLI DATA SEQUENCE IGCPTWNIGE LQSDWEGLYS ELDDVDFNGK LVAYFGTGDQ IGYADNFQDA DATA SEQUENCE IGILEEKISQ RGGKTVGYWS TDGYDFNDSK ALRNGKFVGL ALDEDNQSDL DATA SEQUENCE TDDRIKSWVA QLKSEFGL 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 2 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2 K C 0.000 176.647 176.600 0.079 0.000 0.988 2 K CA 0.000 56.315 56.287 0.047 0.000 0.838 2 K CB 0.000 32.505 32.500 0.008 0.000 1.064 3 K N -0.506 119.933 120.400 0.066 0.000 2.544 3 K HA 0.402 4.721 4.320 -0.003 0.000 0.213 3 K C 0.675 177.362 176.600 0.144 0.000 1.392 3 K CA -0.084 56.260 56.287 0.094 0.000 0.980 3 K CB 1.379 33.853 32.500 -0.043 0.000 1.177 3 K HN -0.129 8.121 8.250 -0.000 0.000 0.570 4 I N 2.497 123.027 120.570 -0.066 0.000 2.362 4 I HA 0.301 4.469 4.170 -0.003 0.000 0.289 4 I C -0.176 175.730 176.117 -0.353 0.000 0.994 4 I CA -0.980 60.176 61.300 -0.240 0.000 1.158 4 I CB 1.821 39.491 38.000 -0.550 0.000 1.315 4 I HN 0.092 8.302 8.210 -0.000 0.000 0.451 5 G N 7.068 115.442 108.800 -0.710 0.000 2.327 5 G HA2 0.474 4.432 3.960 -0.003 0.000 0.302 5 G HA3 0.474 4.432 3.960 -0.003 0.000 0.302 5 G C -0.896 173.794 174.900 -0.349 0.000 1.113 5 G CA -0.292 44.139 45.100 -1.116 0.000 0.921 5 G HN 0.378 8.668 8.290 -0.000 0.000 0.425 6 L N 3.929 125.005 121.223 -0.244 0.000 2.277 6 L HA 0.670 5.008 4.340 -0.003 0.000 0.284 6 L C -1.504 175.391 176.870 0.041 0.000 1.028 6 L CA -1.930 52.946 54.840 0.060 0.000 0.835 6 L CB 0.063 42.202 42.059 0.133 0.000 1.215 6 L HN 0.294 8.524 8.230 -0.000 0.000 0.425 7 F N 6.804 126.873 119.950 0.198 0.000 2.404 7 F HA 0.555 5.081 4.527 -0.001 0.000 0.354 7 F C -0.137 175.876 175.800 0.355 0.000 1.122 7 F CA -0.351 57.751 58.000 0.170 0.000 1.080 7 F CB 0.865 39.916 39.000 0.086 0.000 1.131 7 F HN 0.540 8.840 8.300 -0.000 0.000 0.471 8 Y N 0.423 120.897 120.300 0.290 0.000 2.576 8 Y HA 0.965 5.514 4.550 -0.002 0.000 0.346 8 Y C -0.468 175.534 175.900 0.170 0.000 1.018 8 Y CA -2.020 56.263 58.100 0.305 0.000 1.050 8 Y CB 1.564 40.156 38.460 0.220 0.000 1.280 8 Y HN 0.659 8.939 8.280 -0.000 0.000 0.474 9 G N 0.161 109.200 108.800 0.398 0.000 2.524 9 G HA2 0.547 4.505 3.960 -0.003 0.000 0.310 9 G HA3 0.547 4.505 3.960 -0.003 0.000 0.310 9 G C -1.647 173.460 174.900 0.344 0.000 1.279 9 G CA -0.972 44.244 45.100 0.194 0.000 0.974 9 G HN 0.829 9.119 8.290 -0.000 0.000 0.484 10 T N -0.687 114.027 114.554 0.267 0.000 2.923 10 T HA 0.394 4.742 4.350 -0.003 0.000 0.311 10 T C 0.331 175.146 174.700 0.193 0.000 1.183 10 T CA -0.417 61.840 62.100 0.262 0.000 1.020 10 T CB 2.110 71.155 68.868 0.294 0.000 1.165 10 T HN 0.570 8.810 8.240 -0.000 0.000 0.482 11 Q N 1.180 121.099 119.800 0.198 0.000 2.481 11 Q HA 0.124 4.462 4.340 -0.003 0.000 0.219 11 Q C 1.410 177.447 176.000 0.061 0.000 0.920 11 Q CA 1.043 56.923 55.803 0.129 0.000 0.915 11 Q CB 0.353 29.183 28.738 0.154 0.000 1.057 11 Q HN 0.783 9.053 8.270 -0.000 0.000 0.581 12 T N -3.985 110.602 114.554 0.055 0.000 3.129 12 T HA 0.421 4.769 4.350 -0.003 0.000 0.267 12 T C 0.985 175.714 174.700 0.048 0.000 1.018 12 T CA 0.448 62.552 62.100 0.007 0.000 0.903 12 T CB 1.004 69.821 68.868 -0.085 0.000 1.067 12 T HN 0.503 8.743 8.240 -0.000 0.000 0.549 13 G N 1.851 110.707 108.800 0.093 0.000 2.176 13 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.253 13 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.253 13 G C 1.091 176.042 174.900 0.084 0.000 0.979 13 G CA 0.303 45.457 45.100 0.089 0.000 0.641 13 G HN 0.416 8.706 8.290 -0.000 0.000 0.530 14 K N 0.292 120.760 120.400 0.112 0.000 2.062 14 K HA 0.040 4.358 4.320 -0.003 0.000 0.205 14 K C 2.524 179.193 176.600 0.116 0.000 1.051 14 K CA 1.699 58.054 56.287 0.112 0.000 0.941 14 K CB -0.898 31.695 32.500 0.155 0.000 0.719 14 K HN 0.401 8.651 8.250 -0.000 0.000 0.440 15 T N 1.305 115.952 114.554 0.155 0.000 2.833 15 T HA -0.143 4.206 4.350 -0.003 0.000 0.269 15 T C 1.799 176.531 174.700 0.052 0.000 1.054 15 T CA 1.434 63.650 62.100 0.192 0.000 1.135 15 T CB 0.016 68.990 68.868 0.176 0.000 0.869 15 T HN 0.421 8.661 8.240 -0.000 0.000 0.466 16 E N 1.110 121.263 120.200 -0.078 0.000 2.072 16 E HA -0.125 4.223 4.350 -0.003 0.000 0.190 16 E C 2.332 178.791 176.600 -0.236 0.000 0.982 16 E CA 1.369 57.524 56.400 -0.409 0.000 0.803 16 E CB -0.054 29.570 29.700 -0.127 0.000 0.755 16 E HN 0.578 8.938 8.360 -0.000 0.000 0.453 17 S N 0.386 116.039 115.700 -0.079 0.000 2.402 17 S HA -0.137 4.331 4.470 -0.003 0.000 0.229 17 S C 2.208 176.773 174.600 -0.057 0.000 1.021 17 S CA 1.212 59.382 58.200 -0.051 0.000 0.974 17 S CB -0.658 62.536 63.200 -0.010 0.000 0.800 17 S HN 0.301 8.611 8.310 -0.000 0.000 0.484 18 V N 0.297 120.188 119.914 -0.040 0.000 2.548 18 V HA 0.179 4.297 4.120 -0.003 0.000 0.249 18 V C 2.782 178.784 176.094 -0.152 0.000 1.055 18 V CA 1.114 63.366 62.300 -0.081 0.000 1.065 18 V CB -1.772 30.015 31.823 -0.061 0.000 0.681 18 V HN 0.534 8.724 8.190 -0.000 0.000 0.462 19 A N 0.632 123.383 122.820 -0.114 0.000 1.933 19 A HA -0.201 4.117 4.320 -0.003 0.000 0.218 19 A C 2.159 179.691 177.584 -0.088 0.000 1.175 19 A CA 1.957 53.934 52.037 -0.099 0.000 0.628 19 A CB -0.583 18.289 19.000 -0.213 0.000 0.814 19 A HN 0.678 8.828 8.150 -0.000 0.000 0.444 20 E N -0.408 119.731 120.200 -0.102 0.000 2.152 20 E HA -0.085 4.263 4.350 -0.003 0.000 0.192 20 E C 1.816 178.398 176.600 -0.030 0.000 0.983 20 E CA 0.983 57.351 56.400 -0.053 0.000 0.818 20 E CB -0.224 29.445 29.700 -0.051 0.000 0.758 20 E HN 0.709 9.069 8.360 -0.000 0.000 0.467 21 I N 0.871 121.413 120.570 -0.046 0.000 2.202 21 I HA -0.247 3.921 4.170 -0.003 0.000 0.242 21 I C 2.317 178.423 176.117 -0.019 0.000 1.091 21 I CA 0.961 62.239 61.300 -0.036 0.000 1.368 21 I CB -0.179 37.788 38.000 -0.054 0.000 1.058 21 I HN 0.094 8.304 8.210 -0.000 0.000 0.410 22 I N 0.471 121.022 120.570 -0.031 0.000 2.163 22 I HA -0.323 3.845 4.170 -0.003 0.000 0.243 22 I C 2.843 179.076 176.117 0.193 0.000 1.085 22 I CA 1.231 62.564 61.300 0.056 0.000 1.347 22 I CB -0.509 37.496 38.000 0.009 0.000 1.044 22 I HN 0.257 8.467 8.210 -0.000 0.000 0.408 23 R N 1.171 121.737 120.500 0.110 0.000 2.083 23 R HA -0.235 4.104 4.340 -0.003 0.000 0.237 23 R C 1.693 178.062 176.300 0.115 0.000 1.137 23 R CA 2.395 58.558 56.100 0.105 0.000 0.951 23 R CB -0.524 29.795 30.300 0.033 0.000 0.851 23 R HN 0.300 8.570 8.270 -0.000 0.000 0.434 24 D N 0.335 120.772 120.400 0.062 0.000 2.144 24 D HA -0.142 4.496 4.640 -0.003 0.000 0.200 24 D C 1.814 178.137 176.300 0.039 0.000 0.978 24 D CA 1.140 55.164 54.000 0.041 0.000 0.833 24 D CB -0.218 40.590 40.800 0.013 0.000 0.961 24 D HN 0.289 8.659 8.370 -0.000 0.000 0.470 25 E N -0.599 119.613 120.200 0.022 0.000 2.153 25 E HA -0.110 4.238 4.350 -0.003 0.000 0.194 25 E C 1.663 178.211 176.600 -0.087 0.000 0.988 25 E CA 0.738 57.104 56.400 -0.057 0.000 0.811 25 E CB -0.252 29.374 29.700 -0.123 0.000 0.746 25 E HN 0.239 8.599 8.360 -0.000 0.000 0.466 26 F N -0.215 119.717 119.950 -0.030 0.000 2.187 26 F HA 0.194 4.720 4.527 -0.003 0.000 0.295 26 F C 1.702 177.485 175.800 -0.029 0.000 1.091 26 F CA 1.148 59.130 58.000 -0.031 0.000 1.308 26 F CB -0.554 38.425 39.000 -0.034 0.000 1.030 26 F HN 0.180 8.480 8.300 -0.000 0.000 0.487 27 G N 0.296 109.198 108.800 0.169 0.000 2.740 27 G HA2 -0.378 3.580 3.960 -0.003 0.000 0.250 27 G HA3 -0.378 3.580 3.960 -0.003 0.000 0.250 27 G C 0.245 175.185 174.900 0.066 0.000 1.358 27 G CA -0.017 45.134 45.100 0.084 0.000 0.897 27 G HN 0.546 8.836 8.290 -0.000 0.000 0.567 28 N N -0.923 117.798 118.700 0.036 0.000 2.708 28 N HA -0.161 4.577 4.740 -0.003 0.000 0.249 28 N C 0.584 176.100 175.510 0.010 0.000 1.097 28 N CA 2.156 55.219 53.050 0.020 0.000 0.710 28 N CB -0.632 37.867 38.487 0.020 0.000 1.032 28 N HN 1.538 9.918 8.380 -0.000 0.000 0.551 29 D N -2.422 117.983 120.400 0.008 0.000 2.945 29 D HA -0.177 4.461 4.640 -0.003 0.000 0.225 29 D C 0.666 176.956 176.300 -0.017 0.000 1.158 29 D CA 1.129 55.127 54.000 -0.004 0.000 0.805 29 D CB -1.028 39.770 40.800 -0.004 0.000 1.098 29 D HN 0.288 8.658 8.370 -0.000 0.000 0.426 30 V N -0.819 119.079 119.914 -0.026 0.000 2.323 30 V HA -0.052 4.066 4.120 -0.003 0.000 0.244 30 V C 1.523 177.535 176.094 -0.138 0.000 1.041 30 V CA 1.453 63.705 62.300 -0.081 0.000 1.025 30 V CB 0.079 31.853 31.823 -0.081 0.000 0.656 30 V HN 0.394 8.584 8.190 -0.000 0.000 0.451 31 V N 0.460 120.286 119.914 -0.147 0.000 2.427 31 V HA 0.666 4.784 4.120 -0.003 0.000 0.286 31 V C -0.181 175.863 176.094 -0.084 0.000 1.034 31 V CA 0.037 62.233 62.300 -0.175 0.000 0.893 31 V CB 1.566 33.223 31.823 -0.277 0.000 0.982 31 V HN 0.437 8.627 8.190 -0.000 0.000 0.452 32 T N 6.779 121.290 114.554 -0.072 0.000 2.770 32 T HA 0.604 4.952 4.350 -0.003 0.000 0.283 32 T C -0.687 173.946 174.700 -0.110 0.000 0.988 32 T CA -0.649 61.413 62.100 -0.064 0.000 0.957 32 T CB 0.934 69.814 68.868 0.020 0.000 0.930 32 T HN 0.627 8.867 8.240 -0.000 0.000 0.443 33 L N 5.484 126.642 121.223 -0.109 0.000 2.349 33 L HA 0.404 4.742 4.340 -0.003 0.000 0.275 33 L C 0.571 177.307 176.870 -0.224 0.000 1.115 33 L CA 0.151 54.974 54.840 -0.028 0.000 0.820 33 L CB 0.334 42.458 42.059 0.107 0.000 1.135 33 L HN 0.718 8.948 8.230 -0.000 0.000 0.445 34 H N 1.957 120.856 119.070 -0.286 0.000 2.906 34 H HA 0.157 4.711 4.556 -0.002 0.000 0.324 34 H C -1.019 173.963 175.328 -0.577 0.000 0.973 34 H CA -0.815 54.948 56.048 -0.474 0.000 1.321 34 H CB 1.913 31.070 29.762 -1.010 0.000 1.535 34 H HN 0.494 8.774 8.280 -0.000 0.000 0.518 35 D N 3.310 123.409 120.400 -0.502 0.000 2.343 35 D HA -0.016 4.622 4.640 -0.003 0.000 0.255 35 D C 1.444 177.474 176.300 -0.450 0.000 1.187 35 D CA -0.257 53.241 54.000 -0.836 0.000 0.875 35 D CB 1.557 42.097 40.800 -0.433 0.000 1.136 35 D HN 0.374 8.743 8.370 -0.000 0.000 0.469 36 V N 2.172 121.786 119.914 -0.500 0.000 3.078 36 V HA -0.143 3.975 4.120 -0.003 0.000 0.265 36 V C 1.945 177.864 176.094 -0.292 0.000 1.122 36 V CA 1.536 63.585 62.300 -0.419 0.000 1.141 36 V CB -1.125 30.191 31.823 -0.846 0.000 0.735 36 V HN 0.553 8.743 8.190 -0.000 0.000 0.498 37 S N 1.853 117.414 115.700 -0.233 0.000 2.447 37 S HA -0.210 4.258 4.470 -0.003 0.000 0.233 37 S C 1.685 176.226 174.600 -0.098 0.000 1.006 37 S CA 1.170 59.289 58.200 -0.135 0.000 0.957 37 S CB -0.566 62.580 63.200 -0.090 0.000 0.773 37 S HN 0.927 9.237 8.310 -0.000 0.000 0.507 38 Q N 0.285 120.024 119.800 -0.103 0.000 2.157 38 Q HA 0.708 5.047 4.340 -0.003 0.000 0.229 38 Q C 0.165 176.151 176.000 -0.025 0.000 0.827 38 Q CA -0.280 55.488 55.803 -0.058 0.000 1.055 38 Q CB 0.531 29.237 28.738 -0.053 0.000 1.157 38 Q HN 0.496 8.766 8.270 -0.000 0.000 0.482 39 A N 0.725 123.527 122.820 -0.031 0.000 2.346 39 A HA 0.721 5.039 4.320 -0.003 0.000 0.313 39 A C -0.685 176.901 177.584 0.002 0.000 1.140 39 A CA -0.617 51.446 52.037 0.043 0.000 0.826 39 A CB 1.446 20.522 19.000 0.128 0.000 1.332 39 A HN 0.196 8.346 8.150 -0.000 0.000 0.457 40 E N -0.236 119.981 120.200 0.029 0.000 2.277 40 E HA 0.274 4.622 4.350 -0.003 0.000 0.266 40 E C 0.629 177.207 176.600 -0.037 0.000 0.901 40 E CA -0.734 55.661 56.400 -0.008 0.000 0.782 40 E CB 2.042 31.745 29.700 0.005 0.000 1.228 40 E HN 0.313 8.673 8.360 -0.000 0.000 0.424 41 V N 2.470 122.352 119.914 -0.055 0.000 2.469 41 V HA -0.248 3.870 4.120 -0.003 0.000 0.251 41 V C 2.115 178.146 176.094 -0.105 0.000 1.064 41 V CA 2.899 65.152 62.300 -0.079 0.000 1.066 41 V CB -0.496 31.305 31.823 -0.036 0.000 0.667 41 V HN 0.875 9.065 8.190 -0.000 0.000 0.461 42 T N -3.075 111.436 114.554 -0.072 0.000 3.025 42 T HA -0.163 4.185 4.350 -0.003 0.000 0.270 42 T C 1.376 176.041 174.700 -0.058 0.000 1.126 42 T CA 1.277 63.331 62.100 -0.077 0.000 1.105 42 T CB -0.494 68.343 68.868 -0.051 0.000 0.884 42 T HN 0.505 8.745 8.240 -0.000 0.000 0.522 43 D N 1.298 121.687 120.400 -0.018 0.000 2.269 43 D HA 0.087 4.725 4.640 -0.003 0.000 0.208 43 D C 1.952 178.314 176.300 0.102 0.000 0.963 43 D CA 0.461 54.516 54.000 0.092 0.000 0.864 43 D CB -0.190 40.754 40.800 0.239 0.000 0.936 43 D HN 0.410 8.780 8.370 -0.000 0.000 0.505 44 L N 0.324 121.441 121.223 -0.176 0.000 2.156 44 L HA -0.101 4.237 4.340 -0.003 0.000 0.208 44 L C 1.945 178.755 176.870 -0.099 0.000 1.095 44 L CA 0.620 55.301 54.840 -0.265 0.000 0.770 44 L CB -0.330 41.509 42.059 -0.366 0.000 0.914 44 L HN -0.066 8.164 8.230 -0.000 0.000 0.439 45 N N -0.051 118.547 118.700 -0.169 0.000 2.364 45 N HA -0.175 4.563 4.740 -0.003 0.000 0.183 45 N C 1.185 176.626 175.510 -0.115 0.000 1.022 45 N CA 0.838 53.774 53.050 -0.189 0.000 0.883 45 N CB 0.047 38.424 38.487 -0.184 0.000 0.965 45 N HN 0.235 8.615 8.380 -0.000 0.000 0.438 46 D N -1.247 119.102 120.400 -0.085 0.000 2.347 46 D HA -0.043 4.595 4.640 -0.003 0.000 0.215 46 D C -0.400 175.690 176.300 -0.351 0.000 0.976 46 D CA 0.715 54.576 54.000 -0.231 0.000 0.884 46 D CB 0.143 40.748 40.800 -0.326 0.000 0.915 46 D HN 0.318 8.688 8.370 -0.000 0.000 0.526 47 Y N -0.235 120.065 120.300 -0.000 0.000 2.509 47 Y HA 0.305 4.853 4.550 -0.004 0.000 0.341 47 Y C 1.253 177.123 175.900 -0.049 0.000 1.038 47 Y CA -0.820 57.291 58.100 0.018 0.000 1.089 47 Y CB 1.532 40.043 38.460 0.085 0.000 1.241 47 Y HN -0.389 7.891 8.280 -0.000 0.000 0.468 48 Q N 0.337 120.173 119.800 0.060 0.000 2.319 48 Q HA 0.244 4.582 4.340 -0.003 0.000 0.209 48 Q C -1.588 174.125 176.000 -0.477 0.000 0.884 48 Q CA 0.427 56.090 55.803 -0.233 0.000 0.938 48 Q CB 0.384 28.898 28.738 -0.373 0.000 1.098 48 Q HN 0.638 8.908 8.270 -0.000 0.000 0.517 49 Y N -0.347 119.935 120.300 -0.030 0.000 2.373 49 Y HA 0.583 5.132 4.550 -0.002 0.000 0.336 49 Y C -0.821 174.961 175.900 -0.197 0.000 0.979 49 Y CA -0.895 57.047 58.100 -0.264 0.000 1.080 49 Y CB 1.467 39.542 38.460 -0.640 0.000 1.190 49 Y HN -0.185 8.095 8.280 -0.000 0.000 0.446 50 L N 4.652 125.892 121.223 0.029 0.000 2.409 50 L HA 0.669 5.008 4.340 -0.003 0.000 0.262 50 L C -1.048 175.898 176.870 0.127 0.000 0.992 50 L CA -0.797 54.080 54.840 0.062 0.000 0.817 50 L CB 2.809 44.933 42.059 0.107 0.000 1.350 50 L HN 0.544 8.774 8.230 -0.000 0.000 0.411 51 I N 3.584 124.244 120.570 0.149 0.000 2.447 51 I HA 0.404 4.572 4.170 -0.003 0.000 0.287 51 I C -0.857 175.416 176.117 0.260 0.000 1.023 51 I CA -0.555 60.888 61.300 0.238 0.000 1.083 51 I CB 2.149 40.351 38.000 0.337 0.000 1.245 51 I HN 0.300 8.510 8.210 -0.000 0.000 0.434 52 I N 5.045 125.663 120.570 0.081 0.000 2.339 52 I HA 0.464 4.633 4.170 -0.003 0.000 0.290 52 I C 0.547 176.605 176.117 -0.098 0.000 0.994 52 I CA -0.215 61.120 61.300 0.059 0.000 1.191 52 I CB 1.411 39.275 38.000 -0.226 0.000 1.343 52 I HN 0.608 8.818 8.210 -0.000 0.000 0.458 53 G N 4.676 113.405 108.800 -0.118 0.000 2.470 53 G HA2 0.554 4.512 3.960 -0.003 0.000 0.320 53 G HA3 0.554 4.512 3.960 -0.003 0.000 0.320 53 G C -1.394 173.356 174.900 -0.250 0.000 1.245 53 G CA -0.380 44.248 45.100 -0.786 0.000 0.935 53 G HN 0.683 8.973 8.290 -0.000 0.000 0.476 54 C N 5.098 124.148 119.300 -0.415 0.000 2.947 54 C HA 0.677 5.135 4.460 -0.003 0.000 0.401 54 C C -2.618 172.192 174.990 -0.300 0.000 1.019 54 C CA -1.221 57.651 59.018 -0.243 0.000 1.230 54 C CB 1.902 29.323 27.740 -0.531 0.000 1.644 54 C HN 0.635 8.865 8.230 -0.000 0.000 0.523 55 P HA 0.394 4.814 4.420 -0.000 0.000 0.278 55 P C -0.876 176.123 177.300 -0.502 0.000 1.258 55 P CA 0.131 63.013 63.100 -0.362 0.000 0.811 55 P CB 1.151 32.758 31.700 -0.155 0.000 1.063 56 T N 1.376 115.425 114.554 -0.842 0.000 2.809 56 T HA 0.305 4.653 4.350 -0.003 0.000 0.296 56 T C -0.283 173.737 174.700 -1.133 0.000 1.015 56 T CA 0.052 61.691 62.100 -0.768 0.000 0.954 56 T CB 0.236 68.697 68.868 -0.678 0.000 0.950 56 T HN 0.520 8.760 8.240 -0.000 0.000 0.450 57 W N 1.839 122.929 121.300 -0.351 0.000 2.121 57 W HA 0.227 4.885 4.660 -0.003 0.000 0.275 57 W C -0.030 176.391 176.519 -0.164 0.000 0.903 57 W CA -0.732 56.386 57.345 -0.377 0.000 1.253 57 W CB 0.550 29.928 29.460 -0.137 0.000 1.016 57 W HN 0.400 8.580 8.180 -0.000 0.000 0.537 58 N N 1.809 120.530 118.700 0.035 0.000 2.469 58 N HA 0.218 4.956 4.740 -0.003 0.000 0.253 58 N C 0.609 176.171 175.510 0.087 0.000 0.970 58 N CA -0.228 52.881 53.050 0.099 0.000 0.940 58 N CB 1.454 39.973 38.487 0.053 0.000 1.128 58 N HN -0.042 8.338 8.380 -0.000 0.000 0.503 59 I N 1.137 121.837 120.570 0.216 0.000 2.908 59 I HA -0.162 4.006 4.170 -0.003 0.000 0.271 59 I C 0.652 176.833 176.117 0.106 0.000 1.275 59 I CA 0.969 62.405 61.300 0.227 0.000 1.446 59 I CB 0.025 38.160 38.000 0.226 0.000 1.092 59 I HN 0.796 9.006 8.210 -0.000 0.000 0.482 60 G N 0.395 109.226 108.800 0.053 0.000 5.362 60 G HA2 0.156 4.114 3.960 -0.003 0.000 0.208 60 G HA3 0.156 4.114 3.960 -0.003 0.000 0.208 60 G C -0.496 174.396 174.900 -0.014 0.000 1.166 60 G CA -0.424 44.685 45.100 0.014 0.000 0.659 60 G HN 0.304 8.594 8.290 -0.000 0.000 0.249 61 E N -0.407 119.775 120.200 -0.031 0.000 2.439 61 E HA 0.626 4.974 4.350 -0.003 0.000 0.279 61 E C -1.846 174.705 176.600 -0.082 0.000 1.077 61 E CA -0.845 55.525 56.400 -0.051 0.000 0.849 61 E CB 2.097 31.792 29.700 -0.008 0.000 1.408 61 E HN 0.138 8.498 8.360 -0.000 0.000 0.457 62 L N 1.460 122.631 121.223 -0.087 0.000 2.333 62 L HA 0.357 4.695 4.340 -0.003 0.000 0.269 62 L C -0.542 176.334 176.870 0.009 0.000 1.010 62 L CA -0.411 54.377 54.840 -0.087 0.000 0.818 62 L CB 1.679 43.643 42.059 -0.157 0.000 1.306 62 L HN 0.526 8.756 8.230 -0.000 0.000 0.430 63 Q N 1.484 121.313 119.800 0.049 0.000 2.320 63 Q HA -0.045 4.293 4.340 -0.003 0.000 0.311 63 Q C 1.143 177.233 176.000 0.149 0.000 1.083 63 Q CA 0.968 56.848 55.803 0.129 0.000 1.001 63 Q CB 0.895 29.751 28.738 0.196 0.000 1.074 63 Q HN 0.997 9.267 8.270 -0.000 0.000 0.379 64 S N 4.394 120.157 115.700 0.106 0.000 2.407 64 S HA -0.297 4.171 4.470 -0.003 0.000 0.244 64 S C 1.028 175.676 174.600 0.081 0.000 1.077 64 S CA 2.032 60.281 58.200 0.082 0.000 1.159 64 S CB -0.375 62.862 63.200 0.061 0.000 1.045 64 S HN 0.772 9.082 8.310 -0.000 0.000 0.438 65 D N 0.429 120.863 120.400 0.057 0.000 2.133 65 D HA -0.109 4.529 4.640 -0.003 0.000 0.195 65 D C 1.571 177.856 176.300 -0.026 0.000 0.997 65 D CA 1.366 55.350 54.000 -0.027 0.000 0.840 65 D CB -0.546 40.190 40.800 -0.107 0.000 0.947 65 D HN 0.699 9.069 8.370 -0.000 0.000 0.452 66 W N 0.955 122.269 121.300 0.024 0.000 2.436 66 W HA -0.071 4.586 4.660 -0.005 0.000 0.284 66 W C 2.467 179.018 176.519 0.052 0.000 1.225 66 W CA 0.298 57.664 57.345 0.034 0.000 1.271 66 W CB 0.092 29.559 29.460 0.012 0.000 1.114 66 W HN -0.044 8.136 8.180 -0.000 0.000 0.559 67 E N 0.080 120.439 120.200 0.265 0.000 2.118 67 E HA -0.155 4.193 4.350 -0.003 0.000 0.195 67 E C 2.314 179.028 176.600 0.191 0.000 0.992 67 E CA 1.960 58.459 56.400 0.166 0.000 0.804 67 E CB -0.705 29.048 29.700 0.089 0.000 0.741 67 E HN 0.165 8.525 8.360 -0.000 0.000 0.458 68 G N 0.027 108.915 108.800 0.146 0.000 2.404 68 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.214 68 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.214 68 G C 1.375 176.353 174.900 0.130 0.000 1.189 68 G CA 0.676 45.841 45.100 0.107 0.000 0.789 68 G HN 0.258 8.549 8.290 -0.000 0.000 0.533 69 L N -0.388 120.917 121.223 0.137 0.000 2.131 69 L HA 0.016 4.354 4.340 -0.003 0.000 0.210 69 L C 2.418 179.431 176.870 0.239 0.000 1.092 69 L CA 1.007 55.932 54.840 0.142 0.000 0.759 69 L CB -0.929 41.172 42.059 0.070 0.000 0.903 69 L HN 0.373 8.603 8.230 -0.000 0.000 0.435 70 Y N 0.365 120.785 120.300 0.200 0.000 2.151 70 Y HA -0.363 4.187 4.550 -0.000 0.000 0.284 70 Y C 2.708 178.664 175.900 0.093 0.000 1.166 70 Y CA 1.956 60.146 58.100 0.150 0.000 1.163 70 Y CB -0.319 38.211 38.460 0.116 0.000 0.974 70 Y HN 0.321 8.601 8.280 -0.000 0.000 0.511 71 S N -0.486 115.311 115.700 0.162 0.000 2.419 71 S HA -0.180 4.289 4.470 -0.003 0.000 0.233 71 S C 1.453 176.048 174.600 -0.008 0.000 1.016 71 S CA 1.523 59.758 58.200 0.059 0.000 0.974 71 S CB -0.298 62.961 63.200 0.098 0.000 0.786 71 S HN 0.613 8.923 8.310 -0.000 0.000 0.492 72 E N 0.554 120.761 120.200 0.012 0.000 2.474 72 E HA 0.266 4.614 4.350 -0.003 0.000 0.195 72 E C 1.179 177.779 176.600 -0.001 0.000 1.039 72 E CA -0.205 56.196 56.400 0.001 0.000 0.881 72 E CB -0.057 29.649 29.700 0.010 0.000 0.970 72 E HN 0.461 8.821 8.360 -0.000 0.000 0.486 73 L N 1.059 122.271 121.223 -0.019 0.000 2.362 73 L HA -0.146 4.192 4.340 -0.003 0.000 0.219 73 L C 1.404 178.302 176.870 0.048 0.000 1.134 73 L CA 0.744 55.610 54.840 0.044 0.000 0.807 73 L CB -0.133 41.912 42.059 -0.025 0.000 0.927 73 L HN 0.092 8.322 8.230 -0.000 0.000 0.447 74 D N 0.028 120.413 120.400 -0.025 0.000 2.312 74 D HA -0.121 4.517 4.640 -0.003 0.000 0.211 74 D C 1.064 177.362 176.300 -0.004 0.000 0.964 74 D CA 0.918 54.910 54.000 -0.014 0.000 0.877 74 D CB 0.040 40.818 40.800 -0.037 0.000 0.924 74 D HN 0.360 8.730 8.370 -0.000 0.000 0.515 75 D N -0.151 120.241 120.400 -0.013 0.000 2.349 75 D HA 0.002 4.640 4.640 -0.003 0.000 0.224 75 D C 0.223 176.486 176.300 -0.063 0.000 1.029 75 D CA 0.163 54.144 54.000 -0.032 0.000 0.879 75 D CB 0.828 41.608 40.800 -0.033 0.000 0.906 75 D HN -0.027 8.343 8.370 -0.000 0.000 0.528 76 V N -0.010 119.863 119.914 -0.067 0.000 2.588 76 V HA 0.248 4.366 4.120 -0.003 0.000 0.304 76 V C -1.489 174.488 176.094 -0.194 0.000 1.042 76 V CA -0.973 61.201 62.300 -0.210 0.000 0.877 76 V CB 2.286 33.861 31.823 -0.413 0.000 0.996 76 V HN -0.133 8.057 8.190 -0.000 0.000 0.425 77 D N 4.838 125.104 120.400 -0.224 0.000 2.313 77 D HA 0.270 4.909 4.640 -0.003 0.000 0.239 77 D C -0.090 176.093 176.300 -0.195 0.000 1.142 77 D CA -0.090 53.847 54.000 -0.105 0.000 0.847 77 D CB 1.178 41.932 40.800 -0.077 0.000 1.082 77 D HN 0.600 8.970 8.370 -0.000 0.000 0.480 78 F N 1.949 121.885 119.950 -0.024 0.000 2.664 78 F HA 0.171 4.696 4.527 -0.004 0.000 0.303 78 F C 0.761 176.550 175.800 -0.018 0.000 1.092 78 F CA -0.606 57.382 58.000 -0.021 0.000 1.305 78 F CB -0.026 38.969 39.000 -0.009 0.000 1.054 78 F HN 0.159 8.459 8.300 -0.000 0.000 0.565 79 N N 0.329 119.104 118.700 0.126 0.000 2.412 79 N HA 0.320 5.058 4.740 -0.003 0.000 0.258 79 N C 1.195 176.727 175.510 0.037 0.000 1.236 79 N CA 1.411 54.504 53.050 0.073 0.000 0.882 79 N CB 0.454 38.966 38.487 0.042 0.000 1.066 79 N HN 0.354 8.734 8.380 -0.000 0.000 0.465 80 G N 1.079 109.898 108.800 0.031 0.000 2.241 80 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.244 80 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.244 80 G C -0.086 174.798 174.900 -0.027 0.000 0.998 80 G CA -0.143 44.955 45.100 -0.004 0.000 0.621 80 G HN 0.516 8.806 8.290 -0.000 0.000 0.519 81 K N 0.192 120.602 120.400 0.016 0.000 2.174 81 K HA 0.611 4.929 4.320 -0.003 0.000 0.275 81 K C -0.500 176.124 176.600 0.040 0.000 1.015 81 K CA -0.753 55.535 56.287 0.002 0.000 0.933 81 K CB 1.425 33.992 32.500 0.110 0.000 1.025 81 K HN 0.029 8.279 8.250 -0.000 0.000 0.463 82 L N 3.058 124.291 121.223 0.017 0.000 2.275 82 L HA 0.324 4.662 4.340 -0.003 0.000 0.288 82 L C -0.714 176.312 176.870 0.260 0.000 1.046 82 L CA -0.399 54.545 54.840 0.173 0.000 0.805 82 L CB 1.620 43.880 42.059 0.334 0.000 1.193 82 L HN 0.324 8.554 8.230 -0.000 0.000 0.426 83 V N 2.663 122.694 119.914 0.194 0.000 2.656 83 V HA 0.914 5.032 4.120 -0.003 0.000 0.307 83 V C -0.062 176.055 176.094 0.037 0.000 1.051 83 V CA -0.811 61.540 62.300 0.086 0.000 0.893 83 V CB 1.542 33.322 31.823 -0.072 0.000 0.999 83 V HN 0.849 9.039 8.190 -0.000 0.000 0.426 84 A N 3.584 126.399 122.820 -0.008 0.000 2.384 84 A HA 0.990 5.308 4.320 -0.003 0.000 0.312 84 A C -1.727 175.839 177.584 -0.030 0.000 1.113 84 A CA -0.528 51.573 52.037 0.106 0.000 0.779 84 A CB 1.476 20.523 19.000 0.078 0.000 1.307 84 A HN 0.735 8.885 8.150 -0.000 0.000 0.436 85 Y N -0.520 120.063 120.300 0.471 0.000 2.524 85 Y HA 0.665 5.213 4.550 -0.004 0.000 0.347 85 Y C -0.509 175.523 175.900 0.221 0.000 1.005 85 Y CA -0.856 57.407 58.100 0.272 0.000 1.025 85 Y CB 2.128 40.611 38.460 0.038 0.000 1.275 85 Y HN 0.810 9.090 8.280 -0.000 0.000 0.460 86 F N -0.815 119.152 119.950 0.029 0.000 2.654 86 F HA 1.007 5.532 4.527 -0.003 0.000 0.308 86 F C -0.665 174.999 175.800 -0.228 0.000 1.108 86 F CA -1.195 56.629 58.000 -0.294 0.000 0.957 86 F CB 1.740 40.482 39.000 -0.428 0.000 1.309 86 F HN 0.677 8.977 8.300 -0.000 0.000 0.446 87 G N 0.212 108.839 108.800 -0.288 0.000 2.623 87 G HA2 0.592 4.550 3.960 -0.003 0.000 0.290 87 G HA3 0.592 4.550 3.960 -0.003 0.000 0.290 87 G C -1.767 172.955 174.900 -0.296 0.000 1.437 87 G CA -0.530 44.344 45.100 -0.377 0.000 0.798 87 G HN 0.979 9.269 8.290 -0.000 0.000 0.488 88 T N -1.828 112.554 114.554 -0.287 0.000 2.940 88 T HA 0.925 5.274 4.350 -0.003 0.000 0.288 88 T C 0.367 174.754 174.700 -0.521 0.000 1.033 88 T CA -0.130 61.837 62.100 -0.221 0.000 1.033 88 T CB 2.116 70.992 68.868 0.014 0.000 1.079 88 T HN 1.916 10.156 8.240 -0.000 0.000 0.496 89 G N -0.196 108.365 108.800 -0.398 0.000 2.489 89 G HA2 0.478 4.436 3.960 -0.003 0.000 0.305 89 G HA3 0.478 4.436 3.960 -0.003 0.000 0.305 89 G C -2.228 172.648 174.900 -0.040 0.000 1.311 89 G CA -0.689 44.020 45.100 -0.651 0.000 0.813 89 G HN 0.770 9.060 8.290 -0.000 0.000 0.480 90 D N -0.082 120.392 120.400 0.124 0.000 2.421 90 D HA 0.235 4.873 4.640 -0.003 0.000 0.254 90 D C 1.405 177.838 176.300 0.222 0.000 1.238 90 D CA -0.511 53.693 54.000 0.340 0.000 0.919 90 D CB 1.393 42.578 40.800 0.640 0.000 1.152 90 D HN 0.503 8.873 8.370 -0.000 0.000 0.552 91 Q N 2.476 122.139 119.800 -0.228 0.000 2.439 91 Q HA -0.077 4.261 4.340 -0.003 0.000 0.211 91 Q C 0.753 176.694 176.000 -0.098 0.000 0.978 91 Q CA 1.089 56.546 55.803 -0.578 0.000 0.897 91 Q CB 0.214 28.359 28.738 -0.987 0.000 0.956 91 Q HN 0.540 8.810 8.270 -0.000 0.000 0.483 92 I N 0.298 120.877 120.570 0.014 0.000 3.039 92 I HA 0.103 4.271 4.170 -0.003 0.000 0.270 92 I C 2.246 178.393 176.117 0.050 0.000 1.150 92 I CA 0.680 62.004 61.300 0.039 0.000 1.448 92 I CB -0.018 38.002 38.000 0.034 0.000 1.197 92 I HN 0.267 8.477 8.210 -0.000 0.000 0.450 93 G N -0.088 108.764 108.800 0.086 0.000 2.572 93 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.216 93 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.216 93 G C 0.387 175.124 174.900 -0.272 0.000 1.133 93 G CA 0.501 45.569 45.100 -0.054 0.000 0.791 93 G HN 0.375 8.665 8.290 -0.000 0.000 0.538 94 Y N -0.454 119.919 120.300 0.120 0.000 2.614 94 Y HA 0.520 5.069 4.550 -0.003 0.000 0.296 94 Y C 1.617 177.608 175.900 0.152 0.000 0.942 94 Y CA -0.735 57.442 58.100 0.127 0.000 1.111 94 Y CB 0.397 38.933 38.460 0.126 0.000 1.182 94 Y HN 0.114 8.394 8.280 -0.000 0.000 0.624 95 A N -0.258 122.681 122.820 0.199 0.000 1.948 95 A HA -0.191 4.127 4.320 -0.003 0.000 0.220 95 A C 1.755 179.497 177.584 0.264 0.000 1.177 95 A CA 2.274 54.436 52.037 0.208 0.000 0.636 95 A CB -0.135 18.931 19.000 0.109 0.000 0.815 95 A HN 0.454 8.604 8.150 -0.000 0.000 0.449 96 D N -1.182 119.338 120.400 0.201 0.000 2.350 96 D HA 0.036 4.674 4.640 -0.003 0.000 0.213 96 D C -0.120 176.300 176.300 0.200 0.000 1.031 96 D CA 0.482 54.588 54.000 0.177 0.000 0.861 96 D CB -0.053 40.809 40.800 0.104 0.000 0.926 96 D HN 0.535 8.905 8.370 -0.000 0.000 0.520 97 N N -0.146 118.700 118.700 0.244 0.000 2.475 97 N HA 0.055 4.793 4.740 -0.003 0.000 0.272 97 N C -0.709 174.891 175.510 0.151 0.000 1.482 97 N CA -0.395 52.760 53.050 0.174 0.000 0.863 97 N CB 0.444 39.025 38.487 0.156 0.000 1.400 97 N HN -0.082 8.298 8.380 -0.000 0.000 0.489 98 F N 2.768 122.745 119.950 0.044 0.000 2.533 98 F HA 0.084 4.610 4.527 -0.002 0.000 0.378 98 F C 0.754 176.365 175.800 -0.314 0.000 1.070 98 F CA 0.346 58.265 58.000 -0.135 0.000 1.172 98 F CB 0.225 39.142 39.000 -0.139 0.000 1.085 98 F HN 0.211 8.511 8.300 -0.000 0.000 0.552 99 Q N 3.075 122.360 119.800 -0.859 0.000 2.503 99 Q HA -0.283 4.055 4.340 -0.003 0.000 0.267 99 Q C 0.869 176.543 176.000 -0.543 0.000 1.030 99 Q CA 1.139 56.397 55.803 -0.909 0.000 1.041 99 Q CB -1.898 26.042 28.738 -1.330 0.000 1.406 99 Q HN 0.767 9.037 8.270 -0.000 0.000 0.524 100 D N 0.110 120.288 120.400 -0.370 0.000 2.149 100 D HA -0.095 4.543 4.640 -0.003 0.000 0.198 100 D C 1.783 177.909 176.300 -0.289 0.000 0.990 100 D CA 1.661 55.510 54.000 -0.252 0.000 0.839 100 D CB -0.086 40.613 40.800 -0.168 0.000 0.948 100 D HN 0.532 8.902 8.370 -0.000 0.000 0.460 101 A N 1.107 123.721 122.820 -0.343 0.000 1.873 101 A HA -0.219 4.099 4.320 -0.003 0.000 0.218 101 A C 2.321 179.683 177.584 -0.369 0.000 1.193 101 A CA 1.994 53.822 52.037 -0.348 0.000 0.629 101 A CB -1.049 17.731 19.000 -0.367 0.000 0.826 101 A HN 0.477 8.627 8.150 -0.000 0.000 0.447 102 I N -2.665 117.668 120.570 -0.395 0.000 2.614 102 I HA 0.042 4.210 4.170 -0.003 0.000 0.258 102 I C 2.099 177.966 176.117 -0.416 0.000 1.189 102 I CA 1.308 62.382 61.300 -0.377 0.000 1.462 102 I CB -0.795 37.008 38.000 -0.327 0.000 1.092 102 I HN 0.157 8.367 8.210 -0.000 0.000 0.442 103 G N 1.928 110.526 108.800 -0.336 0.000 2.403 103 G HA2 -0.024 3.934 3.960 -0.003 0.000 0.216 103 G HA3 -0.024 3.934 3.960 -0.003 0.000 0.216 103 G C 1.658 176.421 174.900 -0.229 0.000 1.154 103 G CA 0.652 45.590 45.100 -0.270 0.000 0.784 103 G HN 0.425 8.715 8.290 -0.000 0.000 0.538 104 I N 0.128 120.570 120.570 -0.213 0.000 2.179 104 I HA -0.112 4.056 4.170 -0.003 0.000 0.242 104 I C 2.553 178.621 176.117 -0.082 0.000 1.088 104 I CA 0.401 61.612 61.300 -0.148 0.000 1.357 104 I CB -0.185 37.682 38.000 -0.222 0.000 1.051 104 I HN 0.058 8.268 8.210 -0.000 0.000 0.409 105 L N 0.524 121.648 121.223 -0.165 0.000 2.012 105 L HA -0.232 4.106 4.340 -0.003 0.000 0.210 105 L C 2.563 179.349 176.870 -0.141 0.000 1.073 105 L CA 1.800 56.569 54.840 -0.118 0.000 0.748 105 L CB -1.269 40.637 42.059 -0.255 0.000 0.891 105 L HN 0.311 8.541 8.230 -0.000 0.000 0.431 106 E N -0.242 119.727 120.200 -0.383 0.000 2.077 106 E HA -0.267 4.081 4.350 -0.003 0.000 0.193 106 E C 2.070 178.554 176.600 -0.195 0.000 0.989 106 E CA 1.323 57.439 56.400 -0.473 0.000 0.800 106 E CB 0.132 29.333 29.700 -0.832 0.000 0.746 106 E HN 0.590 8.950 8.360 -0.000 0.000 0.452 107 E N 0.360 120.473 120.200 -0.146 0.000 2.058 107 E HA -0.247 4.101 4.350 -0.003 0.000 0.194 107 E C 2.089 178.658 176.600 -0.052 0.000 0.997 107 E CA 1.605 57.962 56.400 -0.072 0.000 0.801 107 E CB 0.010 29.683 29.700 -0.045 0.000 0.746 107 E HN -0.065 8.295 8.360 -0.000 0.000 0.450 108 K N 0.753 121.128 120.400 -0.042 0.000 2.002 108 K HA -0.095 4.223 4.320 -0.003 0.000 0.209 108 K C 1.979 178.497 176.600 -0.137 0.000 1.048 108 K CA 1.556 57.795 56.287 -0.079 0.000 0.930 108 K CB -0.383 32.052 32.500 -0.108 0.000 0.714 108 K HN 0.188 8.438 8.250 -0.000 0.000 0.438 109 I N 0.817 121.263 120.570 -0.207 0.000 2.226 109 I HA -0.294 3.875 4.170 -0.003 0.000 0.245 109 I C 2.103 178.072 176.117 -0.246 0.000 1.100 109 I CA 1.636 62.683 61.300 -0.420 0.000 1.374 109 I CB -0.450 37.244 38.000 -0.510 0.000 1.057 109 I HN 0.273 8.483 8.210 -0.000 0.000 0.413 110 S N 0.074 115.712 115.700 -0.104 0.000 2.428 110 S HA -0.219 4.249 4.470 -0.003 0.000 0.230 110 S C 1.933 176.526 174.600 -0.013 0.000 1.014 110 S CA 0.706 58.887 58.200 -0.031 0.000 0.957 110 S CB -0.402 62.801 63.200 0.005 0.000 0.784 110 S HN 0.519 8.829 8.310 -0.000 0.000 0.499 111 Q N 1.619 121.403 119.800 -0.026 0.000 2.119 111 Q HA -0.057 4.282 4.340 -0.003 0.000 0.201 111 Q C 1.699 177.709 176.000 0.017 0.000 0.972 111 Q CA 0.929 56.729 55.803 -0.006 0.000 0.847 111 Q CB -0.122 28.606 28.738 -0.016 0.000 0.903 111 Q HN 0.506 8.776 8.270 -0.000 0.000 0.433 112 R N -0.886 119.630 120.500 0.026 0.000 2.323 112 R HA 0.033 4.371 4.340 -0.003 0.000 0.198 112 R C 1.043 177.433 176.300 0.150 0.000 0.988 112 R CA 0.801 56.969 56.100 0.112 0.000 1.041 112 R CB 0.317 30.764 30.300 0.245 0.000 0.926 112 R HN 0.531 8.801 8.270 -0.000 0.000 0.476 113 G N -0.074 108.781 108.800 0.092 0.000 2.184 113 G HA2 -0.205 3.754 3.960 -0.003 0.000 0.206 113 G HA3 -0.205 3.754 3.960 -0.003 0.000 0.206 113 G C 0.438 175.402 174.900 0.106 0.000 0.995 113 G CA -0.322 44.837 45.100 0.098 0.000 0.651 113 G HN 0.531 8.821 8.290 -0.000 0.000 0.511 114 G N 0.124 108.975 108.800 0.085 0.000 2.442 114 G HA2 0.456 4.414 3.960 -0.003 0.000 0.249 114 G HA3 0.456 4.414 3.960 -0.003 0.000 0.249 114 G C -0.061 174.877 174.900 0.063 0.000 1.263 114 G CA 0.110 45.254 45.100 0.073 0.000 0.846 114 G HN 0.373 8.663 8.290 -0.000 0.000 0.555 115 K N 1.704 122.148 120.400 0.074 0.000 2.263 115 K HA 0.254 4.572 4.320 -0.003 0.000 0.272 115 K C -0.117 176.523 176.600 0.067 0.000 1.033 115 K CA -0.345 55.980 56.287 0.062 0.000 0.884 115 K CB 0.613 33.143 32.500 0.051 0.000 1.107 115 K HN 0.428 8.678 8.250 -0.000 0.000 0.460 116 T N 2.719 117.307 114.554 0.057 0.000 2.870 116 T HA 0.172 4.520 4.350 -0.003 0.000 0.300 116 T C -0.209 174.395 174.700 -0.160 0.000 0.989 116 T CA -0.339 61.787 62.100 0.043 0.000 1.139 116 T CB 1.060 69.987 68.868 0.098 0.000 0.920 116 T HN 0.259 8.499 8.240 -0.000 0.000 0.537 117 V N 1.788 121.628 119.914 -0.123 0.000 2.962 117 V HA 0.745 4.863 4.120 -0.003 0.000 0.313 117 V C 0.747 176.737 176.094 -0.175 0.000 1.099 117 V CA -0.027 62.134 62.300 -0.231 0.000 0.971 117 V CB 1.844 33.527 31.823 -0.233 0.000 1.028 117 V HN 1.149 9.339 8.190 -0.000 0.000 0.430 118 G N 2.418 111.124 108.800 -0.157 0.000 2.171 118 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.238 118 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.238 118 G C -0.305 174.908 174.900 0.522 0.000 1.039 118 G CA -0.281 44.898 45.100 0.131 0.000 0.759 118 G HN 0.559 8.849 8.290 -0.000 0.000 0.501 119 Y N -0.638 119.869 120.300 0.346 0.000 2.683 119 Y HA 0.408 4.956 4.550 -0.004 0.000 0.340 119 Y C 0.936 177.121 175.900 0.475 0.000 1.245 119 Y CA -0.818 57.484 58.100 0.337 0.000 1.485 119 Y CB 0.492 39.069 38.460 0.194 0.000 1.328 119 Y HN 0.343 8.623 8.280 -0.000 0.000 0.603 120 W N 2.997 124.520 121.300 0.372 0.000 2.883 120 W HA 0.348 5.006 4.660 -0.003 0.000 0.335 120 W C -0.497 176.149 176.519 0.211 0.000 1.083 120 W CA -1.003 56.508 57.345 0.278 0.000 1.233 120 W CB 2.147 31.717 29.460 0.184 0.000 1.412 120 W HN 0.459 8.639 8.180 -0.000 0.000 0.490 121 S N 1.670 117.160 115.700 -0.350 0.000 2.558 121 S HA -0.033 4.435 4.470 -0.003 0.000 0.288 121 S C 1.451 176.005 174.600 -0.077 0.000 1.318 121 S CA 0.976 59.018 58.200 -0.263 0.000 1.056 121 S CB 0.963 63.960 63.200 -0.339 0.000 0.853 121 S HN 0.518 8.828 8.310 -0.000 0.000 0.505 122 T N 1.110 115.598 114.554 -0.110 0.000 3.148 122 T HA 0.098 4.447 4.350 -0.003 0.000 0.253 122 T C 0.300 175.210 174.700 0.350 0.000 1.134 122 T CA -0.008 62.069 62.100 -0.039 0.000 1.051 122 T CB -0.356 68.341 68.868 -0.286 0.000 0.959 122 T HN 0.608 8.848 8.240 -0.000 0.000 0.525 123 D N 1.058 121.565 120.400 0.178 0.000 2.458 123 D HA 0.414 5.052 4.640 -0.003 0.000 0.243 123 D C 1.396 177.778 176.300 0.137 0.000 1.146 123 D CA 1.644 55.721 54.000 0.127 0.000 0.877 123 D CB -0.026 40.778 40.800 0.008 0.000 1.176 123 D HN 0.344 8.714 8.370 -0.000 0.000 0.461 124 G N 1.964 110.804 108.800 0.066 0.000 2.175 124 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.244 124 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.244 124 G C -0.309 174.469 174.900 -0.203 0.000 0.982 124 G CA 0.079 45.124 45.100 -0.091 0.000 0.641 124 G HN 0.468 8.758 8.290 -0.000 0.000 0.527 125 Y N 0.006 120.425 120.300 0.199 0.000 2.509 125 Y HA 0.647 5.195 4.550 -0.003 0.000 0.341 125 Y C -0.230 175.826 175.900 0.260 0.000 1.038 125 Y CA -1.140 57.107 58.100 0.244 0.000 1.089 125 Y CB 2.054 40.758 38.460 0.408 0.000 1.241 125 Y HN 0.042 8.322 8.280 -0.000 0.000 0.468 126 D N 2.689 123.298 120.400 0.348 0.000 2.440 126 D HA 0.397 5.035 4.640 -0.003 0.000 0.252 126 D C -1.456 174.997 176.300 0.255 0.000 1.180 126 D CA -0.256 53.873 54.000 0.214 0.000 0.894 126 D CB 0.159 41.009 40.800 0.084 0.000 1.111 126 D HN 0.307 8.677 8.370 -0.000 0.000 0.544 127 F N 1.655 121.615 119.950 0.017 0.000 2.789 127 F HA 0.558 5.083 4.527 -0.003 0.000 0.319 127 F C 0.020 175.852 175.800 0.053 0.000 1.168 127 F CA -0.948 57.056 58.000 0.008 0.000 0.934 127 F CB 0.427 39.432 39.000 0.009 0.000 1.375 127 F HN -0.064 8.236 8.300 -0.000 0.000 0.480 128 N N -0.301 118.325 118.700 -0.125 0.000 2.418 128 N HA 0.159 4.897 4.740 -0.003 0.000 0.199 128 N C -0.822 174.568 175.510 -0.200 0.000 1.044 128 N CA 0.982 53.908 53.050 -0.207 0.000 0.943 128 N CB -0.054 38.416 38.487 -0.029 0.000 1.154 128 N HN 0.734 9.114 8.380 -0.000 0.000 0.467 129 D N -1.386 119.109 120.400 0.158 0.000 2.592 129 D HA 0.572 5.210 4.640 -0.003 0.000 0.263 129 D C -1.440 175.142 176.300 0.470 0.000 1.132 129 D CA -0.510 53.639 54.000 0.249 0.000 0.996 129 D CB 1.960 42.830 40.800 0.118 0.000 1.442 129 D HN 0.006 8.376 8.370 -0.000 0.000 0.486 130 S N -0.028 115.877 115.700 0.341 0.000 2.560 130 S HA 0.225 4.693 4.470 -0.003 0.000 0.283 130 S C -0.255 174.408 174.600 0.105 0.000 1.141 130 S CA -0.602 57.735 58.200 0.228 0.000 0.902 130 S CB 1.078 64.453 63.200 0.291 0.000 1.104 130 S HN 0.398 8.708 8.310 -0.000 0.000 0.454 131 K N 2.094 122.500 120.400 0.011 0.000 2.504 131 K HA 0.099 4.417 4.320 -0.003 0.000 0.195 131 K C 1.634 178.202 176.600 -0.054 0.000 1.036 131 K CA 0.972 57.241 56.287 -0.030 0.000 0.984 131 K CB -0.079 32.380 32.500 -0.069 0.000 0.788 131 K HN 0.582 8.832 8.250 -0.000 0.000 0.488 132 A N 0.722 123.512 122.820 -0.050 0.000 2.178 132 A HA 0.043 4.361 4.320 -0.003 0.000 0.211 132 A C 0.574 178.217 177.584 0.099 0.000 1.157 132 A CA -0.108 51.900 52.037 -0.049 0.000 0.780 132 A CB 0.063 18.958 19.000 -0.176 0.000 0.828 132 A HN 0.162 8.312 8.150 -0.000 0.000 0.476 133 L N 0.787 122.085 121.223 0.126 0.000 2.418 133 L HA 0.269 4.607 4.340 -0.003 0.000 0.274 133 L C 0.837 177.689 176.870 -0.031 0.000 1.135 133 L CA 0.121 54.998 54.840 0.062 0.000 0.870 133 L CB 0.333 42.460 42.059 0.113 0.000 1.154 133 L HN 0.100 8.330 8.230 -0.000 0.000 0.462 134 R N 3.024 123.462 120.500 -0.103 0.000 2.397 134 R HA 0.228 4.566 4.340 -0.003 0.000 0.241 134 R C 0.383 176.594 176.300 -0.149 0.000 0.914 134 R CA 0.172 56.183 56.100 -0.148 0.000 1.071 134 R CB -0.414 29.723 30.300 -0.271 0.000 1.116 134 R HN 0.851 9.121 8.270 -0.000 0.000 0.524 135 N N -2.005 116.614 118.700 -0.134 0.000 2.164 135 N HA -0.143 4.595 4.740 -0.003 0.000 0.204 135 N C 0.967 176.394 175.510 -0.138 0.000 1.658 135 N CA 1.596 54.574 53.050 -0.119 0.000 3.674 135 N CB -1.563 36.868 38.487 -0.093 0.000 1.240 135 N HN 0.309 8.689 8.380 -0.000 0.000 0.898 136 G N -0.231 108.477 108.800 -0.154 0.000 2.850 136 G HA2 0.332 4.290 3.960 -0.003 0.000 0.211 136 G HA3 0.332 4.290 3.960 -0.003 0.000 0.211 136 G C 0.184 174.972 174.900 -0.186 0.000 1.124 136 G CA 0.279 45.293 45.100 -0.143 0.000 0.769 136 G HN 0.209 8.499 8.290 -0.000 0.000 0.535 137 K N -0.448 119.819 120.400 -0.223 0.000 2.443 137 K HA 0.569 4.888 4.320 -0.003 0.000 0.251 137 K C -1.536 174.932 176.600 -0.220 0.000 0.972 137 K CA -0.858 55.302 56.287 -0.211 0.000 0.833 137 K CB 2.125 34.543 32.500 -0.137 0.000 1.317 137 K HN -0.038 8.212 8.250 -0.000 0.000 0.441 138 F N 0.472 120.416 119.950 -0.010 0.000 2.378 138 F HA 0.138 4.663 4.527 -0.004 0.000 0.325 138 F C 1.481 177.309 175.800 0.047 0.000 1.097 138 F CA -0.592 57.381 58.000 -0.045 0.000 1.079 138 F CB 1.155 40.098 39.000 -0.095 0.000 1.240 138 F HN 0.222 8.522 8.300 -0.000 0.000 0.519 139 V N 1.241 121.295 119.914 0.234 0.000 2.913 139 V HA 0.137 4.255 4.120 -0.003 0.000 0.260 139 V C 0.761 177.078 176.094 0.371 0.000 1.098 139 V CA 1.885 64.342 62.300 0.261 0.000 1.121 139 V CB -0.704 31.108 31.823 -0.018 0.000 0.714 139 V HN 0.861 9.051 8.190 -0.000 0.000 0.487 140 G N -1.426 107.533 108.800 0.264 0.000 2.554 140 G HA2 0.417 4.375 3.960 -0.003 0.000 0.306 140 G HA3 0.417 4.375 3.960 -0.003 0.000 0.306 140 G C -1.647 173.152 174.900 -0.169 0.000 1.320 140 G CA -0.563 44.678 45.100 0.236 0.000 0.800 140 G HN 0.060 8.350 8.290 -0.000 0.000 0.481 141 L N 1.426 122.157 121.223 -0.820 0.000 2.500 141 L HA 0.598 4.936 4.340 -0.003 0.000 0.272 141 L C 0.770 177.175 176.870 -0.775 0.000 1.149 141 L CA 0.023 54.088 54.840 -1.292 0.000 0.897 141 L CB 0.189 40.931 42.059 -2.196 0.000 1.178 141 L HN 0.833 9.063 8.230 -0.000 0.000 0.473 142 A N 7.218 129.646 122.820 -0.653 0.000 2.252 142 A HA 0.646 4.964 4.320 -0.003 0.000 0.309 142 A C -0.684 176.777 177.584 -0.205 0.000 1.285 142 A CA -0.534 51.121 52.037 -0.636 0.000 0.900 142 A CB 0.081 18.379 19.000 -1.170 0.000 1.157 142 A HN 0.737 8.887 8.150 -0.000 0.000 0.536 143 L N 1.908 123.028 121.223 -0.172 0.000 2.342 143 L HA 0.563 4.901 4.340 -0.003 0.000 0.271 143 L C -0.636 176.303 176.870 0.115 0.000 1.008 143 L CA -0.728 54.119 54.840 0.011 0.000 0.818 143 L CB 2.130 44.167 42.059 -0.035 0.000 1.296 143 L HN 0.645 8.875 8.230 -0.000 0.000 0.427 144 D N 1.063 121.574 120.400 0.184 0.000 2.336 144 D HA 0.133 4.771 4.640 -0.003 0.000 0.248 144 D C 0.140 176.536 176.300 0.160 0.000 1.326 144 D CA -0.253 53.874 54.000 0.211 0.000 0.973 144 D CB 1.622 42.570 40.800 0.247 0.000 1.255 144 D HN 0.477 8.847 8.370 -0.000 0.000 0.558 145 E N 1.381 121.683 120.200 0.171 0.000 2.435 145 E HA -0.002 4.346 4.350 -0.003 0.000 0.195 145 E C 0.685 177.368 176.600 0.139 0.000 1.029 145 E CA 0.641 57.124 56.400 0.138 0.000 0.865 145 E CB 0.442 30.224 29.700 0.137 0.000 0.833 145 E HN 0.351 8.711 8.360 -0.000 0.000 0.510 146 D N -0.574 119.936 120.400 0.184 0.000 2.240 146 D HA 0.030 4.668 4.640 -0.003 0.000 0.206 146 D C 1.018 177.386 176.300 0.114 0.000 0.963 146 D CA 0.652 54.748 54.000 0.160 0.000 0.863 146 D CB 0.186 41.127 40.800 0.236 0.000 0.973 146 D HN 0.157 8.527 8.370 -0.000 0.000 0.501 147 N N -0.225 118.540 118.700 0.108 0.000 2.317 147 N HA 0.074 4.813 4.740 -0.003 0.000 0.199 147 N C 0.111 175.650 175.510 0.049 0.000 1.145 147 N CA 0.168 53.259 53.050 0.069 0.000 0.882 147 N CB 1.000 39.521 38.487 0.057 0.000 1.113 147 N HN 0.150 8.530 8.380 -0.000 0.000 0.486 148 Q N 0.435 120.271 119.800 0.059 0.000 2.366 148 Q HA 0.197 4.535 4.340 -0.003 0.000 0.356 148 Q C 0.507 176.534 176.000 0.045 0.000 0.866 148 Q CA -0.137 55.688 55.803 0.037 0.000 1.109 148 Q CB 0.779 29.525 28.738 0.014 0.000 1.361 148 Q HN 0.157 8.427 8.270 -0.000 0.000 0.404 149 S N 0.161 115.891 115.700 0.050 0.000 2.442 149 S HA -0.177 4.291 4.470 -0.003 0.000 0.236 149 S C 1.428 176.047 174.600 0.032 0.000 1.007 149 S CA 1.505 59.733 58.200 0.046 0.000 0.965 149 S CB -0.141 63.087 63.200 0.047 0.000 0.773 149 S HN 0.547 8.857 8.310 -0.000 0.000 0.504 150 D N 1.497 121.912 120.400 0.026 0.000 2.363 150 D HA -0.013 4.625 4.640 -0.003 0.000 0.220 150 D C 1.533 177.845 176.300 0.020 0.000 0.994 150 D CA 0.358 54.370 54.000 0.020 0.000 0.890 150 D CB -0.289 40.521 40.800 0.016 0.000 0.906 150 D HN 0.481 8.851 8.370 -0.000 0.000 0.530 151 L N -0.166 121.071 121.223 0.022 0.000 2.638 151 L HA 0.090 4.428 4.340 -0.003 0.000 0.232 151 L C 2.130 179.022 176.870 0.036 0.000 1.099 151 L CA 0.114 54.971 54.840 0.028 0.000 0.883 151 L CB -0.071 41.996 42.059 0.014 0.000 1.136 151 L HN -0.107 8.123 8.230 -0.000 0.000 0.492 152 T N 0.008 114.578 114.554 0.027 0.000 2.607 152 T HA -0.227 4.122 4.350 -0.003 0.000 0.267 152 T C 1.415 176.110 174.700 -0.008 0.000 1.049 152 T CA 1.948 64.053 62.100 0.009 0.000 1.162 152 T CB -0.184 68.691 68.868 0.011 0.000 0.863 152 T HN 0.316 8.556 8.240 -0.000 0.000 0.424 153 D N 0.522 120.922 120.400 0.001 0.000 2.144 153 D HA -0.104 4.534 4.640 -0.003 0.000 0.199 153 D C 1.984 178.290 176.300 0.010 0.000 0.984 153 D CA 1.230 55.227 54.000 -0.004 0.000 0.834 153 D CB -0.418 40.382 40.800 0.000 0.000 0.955 153 D HN 0.464 8.834 8.370 -0.000 0.000 0.465 154 D N 0.345 120.765 120.400 0.033 0.000 2.149 154 D HA -0.079 4.559 4.640 -0.003 0.000 0.201 154 D C 2.088 178.450 176.300 0.103 0.000 0.972 154 D CA 0.753 54.791 54.000 0.063 0.000 0.835 154 D CB 0.236 41.079 40.800 0.070 0.000 0.966 154 D HN -0.002 8.368 8.370 -0.000 0.000 0.476 155 R N -0.123 120.431 120.500 0.091 0.000 2.075 155 R HA -0.017 4.321 4.340 -0.003 0.000 0.232 155 R C 2.507 178.752 176.300 -0.092 0.000 1.126 155 R CA 1.170 57.319 56.100 0.081 0.000 0.963 155 R CB -0.314 29.999 30.300 0.020 0.000 0.858 155 R HN 0.328 8.598 8.270 -0.000 0.000 0.435 156 I N 0.956 121.474 120.570 -0.086 0.000 2.226 156 I HA -0.303 3.865 4.170 -0.003 0.000 0.245 156 I C 2.629 178.747 176.117 0.001 0.000 1.100 156 I CA 1.291 62.549 61.300 -0.070 0.000 1.374 156 I CB -0.290 37.662 38.000 -0.081 0.000 1.057 156 I HN 0.165 8.375 8.210 -0.000 0.000 0.413 157 K N 0.932 121.337 120.400 0.009 0.000 2.032 157 K HA -0.184 4.134 4.320 -0.003 0.000 0.209 157 K C 2.262 178.893 176.600 0.052 0.000 1.048 157 K CA 2.024 58.317 56.287 0.010 0.000 0.927 157 K CB 0.009 32.521 32.500 0.020 0.000 0.712 157 K HN 0.189 8.439 8.250 -0.000 0.000 0.441 158 S N 0.070 115.858 115.700 0.146 0.000 2.368 158 S HA -0.157 4.311 4.470 -0.003 0.000 0.224 158 S C 1.342 176.127 174.600 0.309 0.000 1.029 158 S CA 1.195 59.549 58.200 0.257 0.000 0.988 158 S CB -0.438 63.037 63.200 0.457 0.000 0.838 158 S HN 0.509 8.819 8.310 -0.000 0.000 0.462 159 W N 2.374 123.668 121.300 -0.010 0.000 2.358 159 W HA -0.072 4.585 4.660 -0.004 0.000 0.303 159 W C 2.053 178.511 176.519 -0.102 0.000 1.208 159 W CA 0.604 57.892 57.345 -0.095 0.000 1.274 159 W CB -0.667 28.522 29.460 -0.450 0.000 1.138 159 W HN 0.008 8.188 8.180 -0.000 0.000 0.515 160 V N 0.998 120.853 119.914 -0.098 0.000 2.427 160 V HA -0.269 3.849 4.120 -0.003 0.000 0.248 160 V C 2.449 178.314 176.094 -0.381 0.000 1.051 160 V CA 2.016 64.071 62.300 -0.408 0.000 1.048 160 V CB -1.575 29.960 31.823 -0.480 0.000 0.666 160 V HN 0.259 8.449 8.190 -0.000 0.000 0.456 161 A N -0.708 122.000 122.820 -0.188 0.000 1.933 161 A HA -0.301 4.017 4.320 -0.003 0.000 0.218 161 A C 2.247 179.768 177.584 -0.105 0.000 1.175 161 A CA 2.077 54.037 52.037 -0.128 0.000 0.628 161 A CB -0.473 18.503 19.000 -0.041 0.000 0.814 161 A HN 0.622 8.772 8.150 -0.000 0.000 0.444 162 Q N -0.384 119.368 119.800 -0.080 0.000 2.079 162 Q HA -0.066 4.272 4.340 -0.003 0.000 0.200 162 Q C 1.933 177.809 176.000 -0.207 0.000 0.974 162 Q CA 1.281 57.042 55.803 -0.070 0.000 0.840 162 Q CB -0.209 28.560 28.738 0.052 0.000 0.898 162 Q HN 0.656 8.926 8.270 -0.000 0.000 0.430 163 L N 0.533 121.527 121.223 -0.382 0.000 2.141 163 L HA -0.167 4.172 4.340 -0.003 0.000 0.209 163 L C 2.509 179.273 176.870 -0.176 0.000 1.094 163 L CA 0.841 55.390 54.840 -0.485 0.000 0.763 163 L CB -0.375 41.331 42.059 -0.589 0.000 0.908 163 L HN 0.172 8.402 8.230 -0.000 0.000 0.437 164 K N -0.186 120.143 120.400 -0.120 0.000 2.063 164 K HA -0.124 4.194 4.320 -0.003 0.000 0.208 164 K C 2.256 178.875 176.600 0.031 0.000 1.048 164 K CA 1.546 57.839 56.287 0.010 0.000 0.928 164 K CB -0.284 32.165 32.500 -0.086 0.000 0.713 164 K HN 0.229 8.479 8.250 -0.000 0.000 0.442 165 S N 1.311 116.997 115.700 -0.024 0.000 2.357 165 S HA -0.095 4.373 4.470 -0.003 0.000 0.221 165 S C 1.873 176.478 174.600 0.008 0.000 1.031 165 S CA 1.035 59.234 58.200 -0.002 0.000 0.982 165 S CB -0.091 63.101 63.200 -0.013 0.000 0.853 165 S HN 0.348 8.659 8.310 -0.000 0.000 0.458 166 E N 0.135 120.299 120.200 -0.059 0.000 2.110 166 E HA -0.092 4.256 4.350 -0.003 0.000 0.193 166 E C 1.329 177.964 176.600 0.059 0.000 0.988 166 E CA 0.947 57.302 56.400 -0.074 0.000 0.804 166 E CB -0.167 29.396 29.700 -0.228 0.000 0.745 166 E HN 0.415 8.775 8.360 -0.000 0.000 0.458 167 F N -0.048 119.930 119.950 0.048 0.000 2.710 167 F HA 0.180 4.705 4.527 -0.004 0.000 0.298 167 F C 1.452 177.272 175.800 0.033 0.000 1.137 167 F CA 0.773 58.821 58.000 0.080 0.000 1.444 167 F CB 0.055 39.052 39.000 -0.005 0.000 1.111 167 F HN 0.008 8.308 8.300 -0.000 0.000 0.580 168 G N 1.469 110.389 108.800 0.201 0.000 2.326 168 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.286 168 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.286 168 G C -0.312 174.624 174.900 0.060 0.000 1.096 168 G CA 0.051 45.220 45.100 0.115 0.000 1.003 168 G HN 0.294 8.584 8.290 -0.000 0.000 0.503 169 L N 0.000 121.266 121.223 0.071 0.000 2.949 169 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 169 L CA 0.000 54.870 54.840 0.049 0.000 0.813 169 L CB 0.000 42.127 42.059 0.113 0.000 0.961 169 L HN 0.000 8.230 8.230 -0.000 0.000 0.502