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 1nya_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTAIASDRLK KRFDRWDFDG NGALERADFE KEAQHIAEAF GKDAGAAEVQ DATA SEQUENCE TLKNAFGGLF DYLAKEAGVG SDGSLTEEQF IRVTENLIFE QGEASFNRVL DATA SEQUENCE GPVVKGIVGM CDKNADGQIN ADEFAAWLTA LGMSKAEAAE AFNQVDTNGN DATA SEQUENCE GELSLDELLT AVRDFHFGRL DVELLG 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 T HA 0.000 4.355 4.350 0.009 0.000 0.228 1 T C 0.000 174.722 174.700 0.037 0.000 1.109 1 T CA 0.000 62.109 62.100 0.015 0.000 1.349 1 T CB 0.000 68.872 68.868 0.007 0.000 0.612 2 T N 1.979 116.555 114.554 0.037 0.000 2.919 2 T HA 0.194 4.586 4.350 0.070 0.000 0.302 2 T C -0.686 174.038 174.700 0.040 0.000 1.031 2 T CA -0.287 61.842 62.100 0.048 0.000 1.127 2 T CB 0.505 69.395 68.868 0.038 0.000 0.952 2 T HN -0.340 7.917 8.240 0.028 0.000 0.540 3 A N 4.293 127.142 122.820 0.049 0.000 1.632 3 A HA 0.072 4.410 4.320 0.030 0.000 0.140 3 A C 0.113 177.721 177.584 0.041 0.000 1.521 3 A CA 0.163 52.224 52.037 0.040 0.000 1.881 3 A CB 0.355 19.379 19.000 0.040 0.000 1.797 3 A HN 0.069 8.255 8.150 0.061 0.000 1.234 4 I N 0.486 121.091 120.570 0.058 0.000 2.716 4 I HA -0.233 3.962 4.170 0.042 0.000 0.259 4 I C 1.556 177.686 176.117 0.021 0.000 1.172 4 I CA 0.364 61.697 61.300 0.054 0.000 1.478 4 I CB -0.998 37.053 38.000 0.085 0.000 1.104 4 I HN 0.416 8.673 8.210 0.078 0.000 0.439 5 A N 0.120 122.939 122.820 -0.002 0.000 1.933 5 A HA -0.214 3.933 4.320 -0.288 0.000 0.218 5 A C 1.598 179.127 177.584 -0.091 0.000 1.175 5 A CA 2.671 54.610 52.037 -0.163 0.000 0.628 5 A CB -0.728 18.143 19.000 -0.215 0.000 0.814 5 A HN 0.272 8.430 8.150 0.057 0.026 0.444 6 S N -2.027 113.665 115.700 -0.014 0.000 2.356 6 S HA -0.403 4.080 4.470 0.023 0.000 0.223 6 S C 1.955 176.577 174.600 0.037 0.000 1.032 6 S CA 3.122 61.332 58.200 0.017 0.000 1.005 6 S CB -0.388 62.826 63.200 0.023 0.000 0.867 6 S HN -0.011 8.286 8.310 0.002 0.014 0.449 7 D N 2.879 123.299 120.400 0.032 0.000 2.104 7 D HA -0.314 4.351 4.640 0.042 0.000 0.194 7 D C 2.231 178.568 176.300 0.060 0.000 0.994 7 D CA 3.705 57.730 54.000 0.041 0.000 0.830 7 D CB -0.387 40.432 40.800 0.032 0.000 0.959 7 D HN -0.475 7.910 8.370 0.024 0.000 0.452 8 R N -0.519 120.020 120.500 0.064 0.000 2.073 8 R HA -0.219 4.181 4.340 0.100 0.000 0.234 8 R C 2.798 179.217 176.300 0.199 0.000 1.134 8 R CA 2.990 59.164 56.100 0.124 0.000 0.952 8 R CB -0.033 30.356 30.300 0.147 0.000 0.850 8 R HN -0.734 7.558 8.270 0.036 0.000 0.433 9 L N -1.749 119.592 121.223 0.196 0.000 2.240 9 L HA -0.233 4.361 4.340 0.424 0.000 0.211 9 L C 1.662 178.707 176.870 0.292 0.000 1.106 9 L CA 2.341 57.355 54.840 0.289 0.000 0.793 9 L CB -0.163 42.008 42.059 0.186 0.000 0.927 9 L HN -0.132 8.158 8.230 0.099 0.000 0.446 10 K N 0.213 120.723 120.400 0.183 0.000 1.985 10 K HA -0.358 4.181 4.320 0.172 -0.116 0.210 10 K C 2.198 178.916 176.600 0.197 0.000 1.047 10 K CA 3.296 59.681 56.287 0.163 0.000 0.932 10 K CB -0.193 32.359 32.500 0.087 0.000 0.716 10 K HN 0.376 8.491 8.250 0.133 0.214 0.439 11 K N -1.922 118.553 120.400 0.126 0.000 2.032 11 K HA -0.349 4.016 4.320 0.074 0.000 0.209 11 K C 2.426 179.061 176.600 0.059 0.000 1.048 11 K CA 3.137 59.466 56.287 0.070 0.000 0.927 11 K CB -0.294 32.208 32.500 0.003 0.000 0.712 11 K HN -0.467 7.845 8.250 0.103 0.000 0.441 12 R N -2.187 118.369 120.500 0.094 0.000 2.185 12 R HA -0.360 3.894 4.340 -0.143 0.000 0.247 12 R C 2.342 178.743 176.300 0.168 0.000 1.159 12 R CA 3.051 59.200 56.100 0.083 0.000 0.988 12 R CB -0.168 30.295 30.300 0.271 0.000 0.871 12 R HN -0.681 7.664 8.270 0.125 0.000 0.458 13 F N -0.462 119.553 119.950 0.108 0.000 2.074 13 F HA -0.247 4.282 4.527 0.004 0.000 0.293 13 F C 1.838 177.645 175.800 0.012 0.000 1.116 13 F CA 3.106 61.140 58.000 0.057 0.000 1.212 13 F CB 0.292 39.348 39.000 0.093 0.000 0.998 13 F HN -0.515 7.869 8.300 0.404 0.158 0.471 14 D N -1.114 119.369 120.400 0.137 0.000 2.350 14 D HA -0.164 4.393 4.640 -0.138 0.000 0.216 14 D C 1.714 177.921 176.300 -0.155 0.000 0.968 14 D CA 2.257 56.246 54.000 -0.019 0.000 0.894 14 D CB -0.141 40.721 40.800 0.104 0.000 0.909 14 D HN -0.632 7.947 8.370 0.349 0.000 0.520 15 R N -2.684 117.686 120.500 -0.216 0.000 2.148 15 R HA -0.120 4.021 4.340 -0.332 0.000 0.223 15 R C 0.827 176.782 176.300 -0.576 0.000 1.088 15 R CA 2.030 57.882 56.100 -0.412 0.000 0.985 15 R CB 0.499 30.483 30.300 -0.526 0.000 0.880 15 R HN 0.218 8.160 8.270 -0.140 0.244 0.451 16 W N -1.709 119.386 121.300 -0.341 0.000 3.319 16 W HA -0.017 4.340 4.660 -0.506 0.000 0.280 16 W C -0.713 175.525 176.519 -0.467 0.000 1.574 16 W CA -0.417 56.655 57.345 -0.456 0.000 1.868 16 W CB 0.852 30.041 29.460 -0.452 0.000 1.455 16 W HN -0.718 7.185 8.180 -0.237 0.135 0.499 17 D N -1.935 118.374 120.400 -0.152 0.000 2.980 17 D HA -0.344 4.190 4.640 -0.176 0.000 0.218 17 D C -0.652 175.592 176.300 -0.092 0.000 1.225 17 D CA 1.142 55.032 54.000 -0.183 0.000 0.804 17 D CB -1.413 39.241 40.800 -0.243 0.000 0.906 17 D HN -0.125 8.160 8.370 -0.141 0.000 0.396 18 F N -0.236 119.656 119.950 -0.096 0.000 2.065 18 F HA -0.329 4.128 4.527 -0.117 0.000 0.298 18 F C 1.449 177.196 175.800 -0.089 0.000 1.112 18 F CA 2.995 60.926 58.000 -0.115 0.000 1.212 18 F CB 0.316 39.217 39.000 -0.164 0.000 0.975 18 F HN 0.144 8.813 8.300 0.051 -0.339 0.476 19 D N -5.422 115.060 120.400 0.138 0.000 2.367 19 D HA -0.056 4.628 4.640 0.073 0.000 0.207 19 D C 1.001 177.319 176.300 0.029 0.000 1.034 19 D CA 0.054 54.093 54.000 0.065 0.000 0.861 19 D CB 0.523 41.343 40.800 0.033 0.000 0.943 19 D HN -0.255 8.193 8.370 0.129 0.000 0.515 20 G N 0.655 109.458 108.800 0.005 0.000 2.289 20 G HA2 -0.325 3.856 3.960 -0.047 0.000 0.280 20 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.280 20 G C 0.475 175.380 174.900 0.007 0.000 1.089 20 G CA 0.624 45.717 45.100 -0.013 0.000 0.939 20 G HN -0.230 7.917 8.290 0.001 0.144 0.499 21 N N 0.172 118.878 118.700 0.009 0.000 2.373 21 N HA -0.019 4.742 4.740 0.035 0.000 0.181 21 N C 0.981 176.532 175.510 0.069 0.000 1.082 21 N CA -0.530 52.541 53.050 0.034 0.000 0.885 21 N CB 0.317 38.824 38.487 0.033 0.000 0.977 21 N HN -0.428 8.177 8.380 -0.007 -0.229 0.462 22 G N 0.466 109.310 108.800 0.073 0.000 2.137 22 G HA2 -0.393 3.827 3.960 0.290 0.000 0.237 22 G HA3 -0.393 3.696 3.960 0.216 0.000 0.237 22 G C -2.032 173.071 174.900 0.338 0.000 1.002 22 G CA 0.055 45.291 45.100 0.226 0.000 0.702 22 G HN -0.248 8.355 8.290 0.000 -0.313 0.515 23 A N -2.826 120.090 122.820 0.160 0.000 2.557 23 A HA 0.667 5.342 4.320 0.374 -0.130 0.292 23 A C -2.097 175.537 177.584 0.083 0.000 1.139 23 A CA -1.179 50.979 52.037 0.201 0.000 0.665 23 A CB 3.053 22.155 19.000 0.170 0.000 1.285 23 A HN -1.008 7.286 8.150 0.042 -0.119 0.433 24 L N 0.316 121.627 121.223 0.148 0.000 2.298 24 L HA 0.334 4.717 4.340 0.072 0.000 0.284 24 L C -1.176 175.869 176.870 0.292 0.000 1.013 24 L CA -0.765 54.170 54.840 0.158 0.000 0.824 24 L CB 0.630 42.779 42.059 0.150 0.000 1.221 24 L HN -0.062 8.368 8.230 0.203 -0.078 0.418 25 E N 2.283 122.587 120.200 0.174 0.000 2.316 25 E HA 0.418 4.817 4.350 0.081 0.000 0.258 25 E C 0.019 176.382 176.600 -0.395 0.000 0.952 25 E CA -1.573 54.800 56.400 -0.044 0.000 0.818 25 E CB 2.506 32.151 29.700 -0.093 0.000 1.260 25 E HN 0.232 8.663 8.360 0.119 0.000 0.416 26 R N 0.464 120.270 120.500 -1.156 0.000 2.092 26 R HA -0.320 3.300 4.340 -1.200 0.000 0.231 26 R C 1.960 178.044 176.300 -0.359 0.000 1.119 26 R CA 4.007 59.457 56.100 -1.083 0.000 0.970 26 R CB 0.025 29.623 30.300 -1.171 0.000 0.864 26 R HN 0.690 8.228 8.270 -1.221 0.000 0.440 27 A N -3.248 119.401 122.820 -0.286 0.000 2.076 27 A HA -0.205 4.009 4.320 -0.177 0.000 0.220 27 A C 0.744 178.237 177.584 -0.153 0.000 1.160 27 A CA 2.579 54.506 52.037 -0.184 0.000 0.653 27 A CB -0.801 18.101 19.000 -0.165 0.000 0.801 27 A HN 0.343 8.287 8.150 -0.343 0.000 0.455 28 D N -1.319 119.060 120.400 -0.036 0.000 2.224 28 D HA -0.175 4.482 4.640 0.028 0.000 0.205 28 D C 2.047 178.377 176.300 0.050 0.000 0.965 28 D CA 3.848 57.899 54.000 0.085 0.000 0.852 28 D CB -0.020 40.872 40.800 0.152 0.000 0.947 28 D HN -0.636 7.549 8.370 -0.040 0.161 0.494 29 F N -0.849 118.967 119.950 -0.223 0.000 2.234 29 F HA -0.168 4.098 4.527 -0.435 0.000 0.296 29 F C 1.595 177.196 175.800 -0.333 0.000 1.089 29 F CA 2.975 60.795 58.000 -0.301 0.000 1.343 29 F CB 0.113 39.040 39.000 -0.122 0.000 1.040 29 F HN -0.161 8.196 8.300 0.355 0.156 0.498 30 E N -0.507 119.657 120.200 -0.060 0.000 2.077 30 E HA -0.514 3.819 4.350 -0.027 0.000 0.193 30 E C 2.249 178.722 176.600 -0.213 0.000 0.989 30 E CA 3.559 59.897 56.400 -0.104 0.000 0.800 30 E CB -0.456 29.182 29.700 -0.104 0.000 0.746 30 E HN -0.556 7.786 8.360 -0.031 0.000 0.452 31 K N -1.936 118.201 120.400 -0.437 0.000 2.097 31 K HA -0.373 3.729 4.320 -0.363 0.000 0.206 31 K C 2.115 178.499 176.600 -0.360 0.000 1.049 31 K CA 3.635 59.510 56.287 -0.688 0.000 0.933 31 K CB -0.230 31.199 32.500 -1.785 0.000 0.717 31 K HN -0.658 7.311 8.250 -0.468 0.000 0.442 32 E N -0.003 120.109 120.200 -0.146 0.000 2.021 32 E HA -0.382 4.232 4.350 0.440 0.000 0.200 32 E C 2.106 178.677 176.600 -0.048 0.000 1.015 32 E CA 3.118 59.547 56.400 0.047 0.000 0.824 32 E CB -0.410 29.003 29.700 -0.478 0.000 0.762 32 E HN -0.762 7.443 8.360 -0.240 0.010 0.454 33 A N -1.551 121.137 122.820 -0.219 0.000 1.903 33 A HA -0.410 3.982 4.320 0.122 0.000 0.219 33 A C 2.349 179.989 177.584 0.094 0.000 1.191 33 A CA 3.281 55.335 52.037 0.028 0.000 0.638 33 A CB -1.023 18.073 19.000 0.159 0.000 0.823 33 A HN -0.522 7.373 8.150 -0.426 0.000 0.451 34 Q N -1.619 118.219 119.800 0.063 0.000 2.020 34 Q HA -0.488 3.890 4.340 0.064 0.000 0.202 34 Q C 2.354 178.426 176.000 0.120 0.000 0.982 34 Q CA 3.454 59.301 55.803 0.074 0.000 0.838 34 Q CB 0.134 28.892 28.738 0.034 0.000 0.899 34 Q HN -0.557 7.717 8.270 0.007 0.000 0.423 35 H N -0.604 118.494 119.070 0.048 0.000 2.460 35 H HA -0.281 4.322 4.556 0.078 0.000 0.297 35 H C 2.863 178.240 175.328 0.082 0.000 1.103 35 H CA 3.307 59.419 56.048 0.106 0.000 1.292 35 H CB 0.312 30.236 29.762 0.269 0.000 1.376 35 H HN 0.567 8.926 8.280 0.337 0.123 0.531 36 I N -0.948 119.736 120.570 0.191 0.000 2.296 36 I HA -0.322 3.903 4.170 0.091 0.000 0.242 36 I C 1.892 178.054 176.117 0.074 0.000 1.087 36 I CA 0.878 62.249 61.300 0.118 0.000 1.393 36 I CB -1.301 36.794 38.000 0.158 0.000 1.093 36 I HN -0.004 8.175 8.210 0.200 0.151 0.421 37 A N 0.804 123.697 122.820 0.123 0.000 1.940 37 A HA -0.410 4.052 4.320 0.236 0.000 0.221 37 A C 2.587 180.243 177.584 0.120 0.000 1.190 37 A CA 3.336 55.463 52.037 0.150 0.000 0.647 37 A CB -0.953 18.115 19.000 0.113 0.000 0.821 37 A HN 0.398 8.627 8.150 0.130 0.000 0.457 38 E N -1.510 118.724 120.200 0.056 0.000 2.110 38 E HA -0.306 4.065 4.350 0.035 0.000 0.193 38 E C 2.413 179.024 176.600 0.019 0.000 0.988 38 E CA 2.448 58.862 56.400 0.023 0.000 0.804 38 E CB -0.517 29.163 29.700 -0.033 0.000 0.745 38 E HN -0.391 7.988 8.360 0.048 0.009 0.458 39 A N -1.143 121.663 122.820 -0.024 0.000 2.024 39 A HA -0.206 4.080 4.320 -0.057 0.000 0.220 39 A C 0.983 178.514 177.584 -0.089 0.000 1.164 39 A CA 2.472 54.452 52.037 -0.094 0.000 0.643 39 A CB -0.539 18.355 19.000 -0.178 0.000 0.806 39 A HN -0.076 7.942 8.150 -0.017 0.121 0.451 40 F N -3.914 116.062 119.950 0.042 0.000 2.732 40 F HA -0.088 4.464 4.527 0.042 0.000 0.303 40 F C -0.012 175.798 175.800 0.017 0.000 1.110 40 F CA -0.919 57.099 58.000 0.031 0.000 1.355 40 F CB 0.038 39.047 39.000 0.014 0.000 1.081 40 F HN -0.796 7.413 8.300 0.100 0.150 0.565 41 G N -0.357 108.543 108.800 0.167 0.000 2.363 41 G HA2 -0.406 3.633 3.960 0.067 0.000 0.286 41 G HA3 -0.406 3.608 3.960 0.090 0.000 0.286 41 G C -1.033 173.921 174.900 0.091 0.000 0.975 41 G CA 0.804 45.964 45.100 0.101 0.000 1.309 41 G HN -0.049 8.105 8.290 0.121 0.209 0.491 42 K N 0.394 120.844 120.400 0.083 0.000 1.944 42 K HA 0.267 4.611 4.320 0.040 0.000 0.252 42 K C -0.647 175.977 176.600 0.040 0.000 0.834 42 K CA -1.674 54.647 56.287 0.056 0.000 0.691 42 K CB 1.965 34.501 32.500 0.060 0.000 1.738 42 K HN -0.454 7.848 8.250 0.086 0.000 0.540 43 D N 0.337 120.755 120.400 0.030 0.000 2.274 43 D HA -0.009 4.640 4.640 0.016 0.000 0.256 43 D C -0.168 176.147 176.300 0.026 0.000 1.274 43 D CA 0.487 54.500 54.000 0.021 0.000 0.998 43 D CB 0.267 41.076 40.800 0.014 0.000 1.139 43 D HN 0.144 8.530 8.370 0.027 0.000 0.540 44 A N -1.982 120.849 122.820 0.018 0.000 1.728 44 A HA 0.103 4.438 4.320 0.025 0.000 0.202 44 A C 0.374 177.967 177.584 0.015 0.000 1.758 44 A CA 0.634 52.681 52.037 0.016 0.000 1.146 44 A CB 1.010 20.013 19.000 0.004 0.000 1.056 44 A HN -0.087 8.071 8.150 0.013 0.000 0.539 45 G N -0.706 108.098 108.800 0.008 0.000 3.383 45 G HA2 0.152 4.117 3.960 0.008 0.000 0.251 45 G HA3 0.152 4.113 3.960 0.002 0.000 0.251 45 G C -0.398 174.506 174.900 0.007 0.000 1.203 45 G CA -0.758 44.346 45.100 0.006 0.000 0.852 45 G HN -0.062 8.232 8.290 0.005 0.000 0.531 46 A N -0.098 122.728 122.820 0.010 0.000 2.398 46 A HA 0.099 4.422 4.320 0.004 0.000 0.264 46 A C 0.228 177.817 177.584 0.008 0.000 1.564 46 A CA -0.104 51.938 52.037 0.007 0.000 0.828 46 A CB 0.506 19.510 19.000 0.007 0.000 1.444 46 A HN -0.736 7.329 8.150 0.014 0.094 0.565 47 A N -1.033 121.789 122.820 0.005 0.000 1.871 47 A HA -0.190 4.134 4.320 0.006 0.000 0.211 47 A C 1.715 179.303 177.584 0.007 0.000 1.207 47 A CA 2.184 54.224 52.037 0.004 0.000 0.620 47 A CB -0.182 18.817 19.000 -0.001 0.000 0.860 47 A HN 0.643 8.794 8.150 0.002 0.000 0.450 48 E N -0.735 119.466 120.200 0.002 0.000 2.097 48 E HA -0.397 3.950 4.350 -0.006 0.000 0.196 48 E C 1.812 178.425 176.600 0.021 0.000 1.000 48 E CA 3.295 59.695 56.400 0.001 0.000 0.804 48 E CB -0.743 28.950 29.700 -0.013 0.000 0.740 48 E HN 0.340 8.698 8.360 -0.002 0.000 0.454 49 V N -2.716 117.217 119.914 0.032 0.000 2.407 49 V HA -0.185 3.979 4.120 0.073 0.000 0.245 49 V C 2.200 178.328 176.094 0.057 0.000 1.041 49 V CA 3.382 65.715 62.300 0.055 0.000 1.040 49 V CB -0.518 31.337 31.823 0.052 0.000 0.671 49 V HN -0.073 8.121 8.190 0.024 0.011 0.455 50 Q N 0.214 120.036 119.800 0.037 0.000 2.084 50 Q HA -0.390 3.973 4.340 0.039 0.000 0.202 50 Q C 2.452 178.476 176.000 0.040 0.000 0.978 50 Q CA 3.659 59.483 55.803 0.035 0.000 0.844 50 Q CB -0.400 28.349 28.738 0.020 0.000 0.898 50 Q HN -0.486 7.732 8.270 0.028 0.070 0.426 51 T N 2.608 117.180 114.554 0.030 0.000 2.622 51 T HA -0.408 3.953 4.350 0.018 0.000 0.266 51 T C 1.743 176.465 174.700 0.036 0.000 1.047 51 T CA 4.321 66.435 62.100 0.022 0.000 1.159 51 T CB -0.467 68.405 68.868 0.006 0.000 0.863 51 T HN 0.450 8.588 8.240 0.024 0.117 0.422 52 L N 2.146 123.401 121.223 0.053 0.000 1.971 52 L HA -0.362 3.981 4.340 0.005 0.000 0.215 52 L C 1.382 178.369 176.870 0.194 0.000 1.072 52 L CA 3.541 58.434 54.840 0.088 0.000 0.758 52 L CB -0.394 41.753 42.059 0.146 0.000 0.889 52 L HN -0.551 7.707 8.230 0.048 0.000 0.433 53 K N -1.524 119.005 120.400 0.216 0.000 2.113 53 K HA -0.510 4.025 4.320 0.358 0.000 0.208 53 K C 2.321 179.029 176.600 0.180 0.000 1.047 53 K CA 3.550 59.974 56.287 0.230 0.000 0.928 53 K CB -0.642 31.929 32.500 0.118 0.000 0.716 53 K HN -0.201 8.147 8.250 0.163 0.000 0.446 54 N N -1.087 117.675 118.700 0.104 0.000 2.104 54 N HA -0.302 4.475 4.740 0.060 0.000 0.190 54 N C 1.919 177.469 175.510 0.066 0.000 1.024 54 N CA 3.245 56.335 53.050 0.066 0.000 0.853 54 N CB 0.175 38.683 38.487 0.035 0.000 1.008 54 N HN -0.133 8.096 8.380 0.088 0.204 0.424 55 A N 0.063 122.910 122.820 0.045 0.000 1.873 55 A HA -0.207 4.107 4.320 -0.010 0.000 0.215 55 A C 2.139 179.745 177.584 0.038 0.000 1.186 55 A CA 2.948 54.977 52.037 -0.013 0.000 0.616 55 A CB -0.679 18.255 19.000 -0.111 0.000 0.823 55 A HN -0.128 7.955 8.150 0.044 0.093 0.442 56 F N -1.670 118.341 119.950 0.102 0.000 2.192 56 F HA -0.421 4.256 4.527 0.250 0.000 0.301 56 F C 2.541 178.452 175.800 0.185 0.000 1.079 56 F CA 3.487 61.614 58.000 0.212 0.000 1.303 56 F CB -0.463 38.671 39.000 0.223 0.000 1.024 56 F HN 0.274 8.677 8.300 0.171 0.000 0.494 57 G N -2.742 106.211 108.800 0.255 0.000 2.433 57 G HA2 -0.365 3.626 3.960 0.051 0.000 0.216 57 G HA3 -0.365 3.638 3.960 0.071 0.000 0.216 57 G C 1.243 176.182 174.900 0.066 0.000 1.186 57 G CA 1.929 47.090 45.100 0.101 0.000 0.779 57 G HN -0.290 8.015 8.290 0.235 0.126 0.543 58 G N 1.157 109.997 108.800 0.067 0.000 2.448 58 G HA2 -0.253 4.062 3.960 0.053 0.000 0.219 58 G HA3 -0.253 3.728 3.960 0.034 0.000 0.219 58 G C 1.110 176.042 174.900 0.053 0.000 1.127 58 G CA 1.191 46.322 45.100 0.050 0.000 0.766 58 G HN -0.697 7.635 8.290 0.069 0.000 0.552 59 L N 0.891 122.156 121.223 0.071 0.000 2.042 59 L HA -0.359 4.003 4.340 0.037 0.000 0.210 59 L C 1.335 178.216 176.870 0.018 0.000 1.076 59 L CA 2.288 57.181 54.840 0.087 0.000 0.749 59 L CB 0.004 42.235 42.059 0.287 0.000 0.893 59 L HN -0.618 7.550 8.230 0.105 0.125 0.432 60 F N -0.739 119.000 119.950 -0.353 0.000 2.134 60 F HA -0.488 3.725 4.527 -0.524 0.000 0.299 60 F C 1.025 176.729 175.800 -0.159 0.000 1.097 60 F CA 3.443 61.165 58.000 -0.464 0.000 1.264 60 F CB -0.084 38.525 39.000 -0.651 0.000 1.001 60 F HN -0.717 7.514 8.300 -0.105 0.007 0.479 61 D N -1.048 119.362 120.400 0.016 0.000 2.133 61 D HA -0.477 4.160 4.640 -0.005 0.000 0.192 61 D C 2.181 178.441 176.300 -0.067 0.000 1.001 61 D CA 3.816 57.811 54.000 -0.009 0.000 0.844 61 D CB -1.041 39.792 40.800 0.054 0.000 0.944 61 D HN -0.397 7.932 8.370 0.094 0.097 0.447 62 Y N -0.361 119.861 120.300 -0.131 0.000 2.207 62 Y HA -0.346 4.153 4.550 -0.085 0.000 0.287 62 Y C 1.702 177.511 175.900 -0.151 0.000 1.156 62 Y CA 3.451 61.484 58.100 -0.111 0.000 1.182 62 Y CB 0.019 38.430 38.460 -0.080 0.000 0.979 62 Y HN -0.823 7.540 8.280 0.139 0.000 0.521 63 L N -1.540 119.599 121.223 -0.138 0.000 1.994 63 L HA -0.503 3.780 4.340 -0.095 0.000 0.208 63 L C 2.017 178.679 176.870 -0.347 0.000 1.071 63 L CA 2.959 57.657 54.840 -0.237 0.000 0.745 63 L CB -0.692 41.166 42.059 -0.336 0.000 0.892 63 L HN -0.309 7.735 8.230 -0.128 0.109 0.431 64 A N -1.292 121.207 122.820 -0.535 0.000 1.908 64 A HA -0.404 3.719 4.320 -0.329 0.000 0.218 64 A C 2.034 179.489 177.584 -0.214 0.000 1.181 64 A CA 3.295 55.110 52.037 -0.370 0.000 0.627 64 A CB -0.851 17.954 19.000 -0.325 0.000 0.818 64 A HN 0.260 7.956 8.150 -0.756 0.000 0.445 65 K N -1.927 118.341 120.400 -0.220 0.000 1.984 65 K HA -0.308 3.928 4.320 -0.139 0.000 0.209 65 K C 2.542 179.008 176.600 -0.224 0.000 1.046 65 K CA 3.376 59.545 56.287 -0.197 0.000 0.934 65 K CB -0.115 32.258 32.500 -0.212 0.000 0.717 65 K HN -0.051 8.045 8.250 -0.244 0.007 0.438 66 E N -1.301 118.705 120.200 -0.325 0.000 2.077 66 E HA -0.264 3.925 4.350 -0.269 0.000 0.193 66 E C 2.060 178.571 176.600 -0.148 0.000 0.989 66 E CA 2.464 58.695 56.400 -0.282 0.000 0.800 66 E CB 0.272 29.755 29.700 -0.362 0.000 0.746 66 E HN -0.070 7.931 8.360 -0.411 0.113 0.452 67 A N -3.571 119.172 122.820 -0.128 0.000 2.016 67 A HA -0.091 4.206 4.320 -0.038 0.000 0.217 67 A C 0.266 177.815 177.584 -0.060 0.000 1.162 67 A CA 0.757 52.754 52.037 -0.067 0.000 0.662 67 A CB 0.750 19.718 19.000 -0.053 0.000 0.812 67 A HN 0.331 8.263 8.150 -0.168 0.117 0.450 68 G N -2.534 106.216 108.800 -0.083 0.000 2.291 68 G HA2 -0.272 3.655 3.960 -0.067 0.000 0.271 68 G HA3 -0.272 3.660 3.960 -0.046 0.000 0.271 68 G C -0.603 174.275 174.900 -0.038 0.000 1.099 68 G CA 0.518 45.582 45.100 -0.059 0.000 0.919 68 G HN -0.320 7.671 8.290 -0.118 0.229 0.496 69 V N -1.236 118.651 119.914 -0.045 0.000 3.430 69 V HA 0.100 4.220 4.120 -0.001 0.000 0.211 69 V C -0.330 175.765 176.094 0.002 0.000 1.173 69 V CA -0.483 61.810 62.300 -0.012 0.000 1.310 69 V CB 1.638 33.462 31.823 0.002 0.000 1.361 69 V HN 0.150 8.186 8.190 -0.077 0.108 0.512 70 G N -2.748 106.057 108.800 0.008 0.000 2.361 70 G HA2 -0.116 3.858 3.960 0.024 0.000 0.299 70 G HA3 -0.116 3.880 3.960 0.060 0.000 0.299 70 G C 0.209 175.203 174.900 0.156 0.000 1.544 70 G CA -0.147 44.984 45.100 0.051 0.000 0.860 70 G HN -0.876 7.399 8.290 -0.025 0.000 0.610 71 S N -0.849 114.955 115.700 0.172 0.000 2.442 71 S HA -0.158 4.640 4.470 0.547 0.000 0.236 71 S C 0.001 174.763 174.600 0.271 0.000 1.007 71 S CA 2.052 60.441 58.200 0.315 0.000 0.965 71 S CB -0.026 63.262 63.200 0.146 0.000 0.773 71 S HN 0.378 8.747 8.310 0.099 0.000 0.504 72 D N -1.848 118.643 120.400 0.152 0.000 2.440 72 D HA 0.193 4.816 4.640 -0.028 0.000 0.216 72 D C 0.004 176.361 176.300 0.095 0.000 1.150 72 D CA -0.283 53.751 54.000 0.056 0.000 0.832 72 D CB 0.671 41.482 40.800 0.018 0.000 0.992 72 D HN -0.178 8.227 8.370 0.134 0.045 0.502 73 G N -0.329 108.585 108.800 0.190 0.000 2.531 73 G HA2 0.148 4.171 3.960 0.106 0.000 0.281 73 G HA3 0.148 4.189 3.960 0.135 0.000 0.281 73 G C -2.079 172.962 174.900 0.235 0.000 1.382 73 G CA -0.370 44.828 45.100 0.162 0.000 1.045 73 G HN -0.503 7.748 8.290 0.264 0.197 0.533 74 S N -2.318 113.488 115.700 0.176 0.000 2.564 74 S HA 0.591 5.427 4.470 0.280 -0.198 0.274 74 S C -0.950 173.744 174.600 0.157 0.000 1.124 74 S CA -1.232 57.084 58.200 0.194 0.000 0.869 74 S CB 3.431 66.718 63.200 0.145 0.000 1.105 74 S HN -0.224 8.163 8.310 0.128 0.000 0.472 75 L N 2.029 123.361 121.223 0.181 0.000 2.334 75 L HA 0.414 4.832 4.340 0.130 0.000 0.276 75 L C -0.072 176.929 176.870 0.217 0.000 1.014 75 L CA -0.931 54.010 54.840 0.169 0.000 0.815 75 L CB 2.121 44.286 42.059 0.176 0.000 1.268 75 L HN -0.087 8.344 8.230 0.217 -0.071 0.428 76 T N -2.090 112.569 114.554 0.176 0.000 2.810 76 T HA 0.134 4.611 4.350 0.213 0.000 0.277 76 T C 0.791 175.555 174.700 0.106 0.000 0.973 76 T CA -2.218 59.968 62.100 0.144 0.000 0.949 76 T CB 2.369 71.272 68.868 0.058 0.000 1.075 76 T HN 0.025 8.349 8.240 0.139 0.000 0.537 77 E N 1.721 121.785 120.200 -0.227 0.000 2.028 77 E HA -0.426 3.786 4.350 -0.231 0.000 0.191 77 E C 1.756 178.340 176.600 -0.025 0.000 0.988 77 E CA 4.922 61.086 56.400 -0.394 0.000 0.799 77 E CB -0.129 29.012 29.700 -0.932 0.000 0.755 77 E HN 0.739 8.908 8.360 -0.320 0.000 0.447 78 E N -1.753 118.421 120.200 -0.044 0.000 2.209 78 E HA -0.332 4.030 4.350 0.020 0.000 0.196 78 E C 2.782 179.427 176.600 0.076 0.000 0.993 78 E CA 2.937 59.348 56.400 0.018 0.000 0.819 78 E CB -0.416 29.284 29.700 0.000 0.000 0.745 78 E HN 0.073 8.372 8.360 -0.101 0.000 0.477 79 Q N -0.673 119.192 119.800 0.108 0.000 2.083 79 Q HA -0.225 4.174 4.340 0.098 0.000 0.198 79 Q C 2.191 178.327 176.000 0.226 0.000 0.969 79 Q CA 3.093 58.980 55.803 0.140 0.000 0.838 79 Q CB -0.119 28.702 28.738 0.137 0.000 0.900 79 Q HN -0.585 7.610 8.270 0.090 0.129 0.436 80 F N 1.681 121.701 119.950 0.117 0.000 2.043 80 F HA -0.397 4.235 4.527 0.175 0.000 0.297 80 F C 1.673 177.571 175.800 0.162 0.000 1.121 80 F CA 2.778 60.881 58.000 0.172 0.000 1.199 80 F CB -0.194 38.956 39.000 0.250 0.000 0.968 80 F HN -0.188 8.267 8.300 0.391 0.080 0.478 81 I N -0.883 119.758 120.570 0.119 0.000 2.118 81 I HA -0.581 3.546 4.170 -0.072 0.000 0.241 81 I C 2.474 178.607 176.117 0.027 0.000 1.070 81 I CA 4.125 65.436 61.300 0.018 0.000 1.327 81 I CB -0.406 37.637 38.000 0.072 0.000 1.034 81 I HN -0.348 8.012 8.210 0.251 0.000 0.405 82 R N -0.328 120.207 120.500 0.057 0.000 2.080 82 R HA -0.311 4.230 4.340 0.054 -0.169 0.236 82 R C 2.796 179.125 176.300 0.049 0.000 1.137 82 R CA 3.405 59.538 56.100 0.054 0.000 0.943 82 R CB 0.152 30.483 30.300 0.051 0.000 0.846 82 R HN -0.615 7.701 8.270 0.077 0.000 0.431 83 V N -3.841 116.105 119.914 0.054 0.000 2.453 83 V HA -0.024 4.240 4.120 0.053 -0.112 0.247 83 V C 2.102 178.218 176.094 0.036 0.000 1.048 83 V CA 3.205 65.539 62.300 0.057 0.000 1.049 83 V CB -0.752 31.125 31.823 0.089 0.000 0.672 83 V HN 0.242 8.477 8.190 0.075 0.000 0.457 84 T N 0.816 115.331 114.554 -0.065 0.000 2.746 84 T HA -0.375 3.935 4.350 -0.067 0.000 0.267 84 T C 1.903 176.570 174.700 -0.054 0.000 1.039 84 T CA 4.585 66.598 62.100 -0.145 0.000 1.142 84 T CB -0.873 67.701 68.868 -0.491 0.000 0.866 84 T HN 0.564 8.622 8.240 -0.101 0.121 0.444 85 E N 1.767 121.974 120.200 0.013 0.000 2.065 85 E HA -0.494 3.882 4.350 0.042 0.000 0.201 85 E C 2.381 179.082 176.600 0.169 0.000 1.016 85 E CA 3.657 60.127 56.400 0.118 0.000 0.818 85 E CB -0.451 29.363 29.700 0.190 0.000 0.749 85 E HN 0.156 8.412 8.360 0.009 0.109 0.453 86 N N -1.087 117.691 118.700 0.130 0.000 2.166 86 N HA -0.292 4.555 4.740 0.178 0.000 0.186 86 N C 2.040 177.626 175.510 0.128 0.000 1.019 86 N CA 2.712 55.845 53.050 0.139 0.000 0.856 86 N CB 0.163 38.710 38.487 0.100 0.000 0.993 86 N HN -0.828 7.609 8.380 0.096 0.000 0.426 87 L N -1.815 119.474 121.223 0.111 0.000 2.012 87 L HA -0.322 4.307 4.340 0.214 -0.161 0.210 87 L C 1.108 178.031 176.870 0.089 0.000 1.073 87 L CA 2.967 57.905 54.840 0.163 0.000 0.748 87 L CB 0.514 42.690 42.059 0.194 0.000 0.891 87 L HN -0.540 7.641 8.230 0.091 0.103 0.431 88 I N -4.528 115.965 120.570 -0.129 0.000 2.286 88 I HA -0.324 3.628 4.170 -0.363 0.000 0.245 88 I C 1.564 177.396 176.117 -0.476 0.000 1.104 88 I CA 1.519 62.554 61.300 -0.442 0.000 1.397 88 I CB -0.030 37.433 38.000 -0.896 0.000 1.072 88 I HN -0.393 7.734 8.210 -0.137 0.000 0.417 89 F N -2.096 117.765 119.950 -0.148 0.000 2.213 89 F HA -0.085 4.389 4.527 -0.088 0.000 0.272 89 F C 0.783 176.565 175.800 -0.029 0.000 1.095 89 F CA 1.847 59.795 58.000 -0.085 0.000 1.128 89 F CB 0.008 38.967 39.000 -0.069 0.000 1.091 89 F HN -0.090 8.154 8.300 -0.094 0.000 0.530 90 E N -2.187 118.147 120.200 0.223 0.000 3.271 90 E HA -0.205 4.217 4.350 0.120 0.000 0.332 90 E C -0.852 175.820 176.600 0.120 0.000 1.505 90 E CA 0.747 57.230 56.400 0.137 0.000 1.676 90 E CB 0.610 30.378 29.700 0.114 0.000 1.053 90 E HN -0.092 8.437 8.360 0.282 0.000 0.687 91 Q N -3.064 116.807 119.800 0.119 0.000 3.243 91 Q HA -0.262 4.163 4.340 0.143 0.000 0.024 91 Q C -0.520 175.542 176.000 0.104 0.000 1.715 91 Q CA 0.991 56.876 55.803 0.137 0.000 0.237 91 Q CB 0.371 29.220 28.738 0.185 0.000 0.590 91 Q HN 0.217 8.550 8.270 0.106 0.000 0.322 92 G N 0.274 109.132 108.800 0.096 0.000 2.539 92 G HA2 0.123 4.118 3.960 0.058 0.000 0.258 92 G HA3 0.123 4.120 3.960 0.063 0.000 0.258 92 G C -0.161 174.780 174.900 0.068 0.000 1.202 92 G CA -1.026 44.116 45.100 0.069 0.000 0.851 92 G HN -0.045 8.312 8.290 0.111 0.000 0.556 93 E N 1.589 121.816 120.200 0.046 0.000 2.049 93 E HA -0.457 3.912 4.350 0.032 0.000 0.198 93 E C 1.952 178.587 176.600 0.059 0.000 1.007 93 E CA 3.625 60.048 56.400 0.038 0.000 0.809 93 E CB -0.128 29.581 29.700 0.016 0.000 0.749 93 E HN 0.485 8.867 8.360 0.037 0.000 0.450 94 A N -3.547 119.299 122.820 0.043 0.000 2.178 94 A HA -0.118 4.224 4.320 0.036 0.000 0.218 94 A C 2.223 179.824 177.584 0.028 0.000 1.157 94 A CA 2.198 54.256 52.037 0.035 0.000 0.689 94 A CB -0.874 18.141 19.000 0.025 0.000 0.787 94 A HN 0.430 8.602 8.150 0.036 0.000 0.465 95 S N 0.009 115.733 115.700 0.039 0.000 2.371 95 S HA -0.219 4.227 4.470 -0.040 0.000 0.224 95 S C 1.554 176.103 174.600 -0.086 0.000 1.029 95 S CA 3.538 61.729 58.200 -0.015 0.000 0.978 95 S CB -0.030 63.195 63.200 0.042 0.000 0.833 95 S HN -0.121 8.001 8.310 0.060 0.224 0.466 96 F N 2.914 122.795 119.950 -0.114 0.000 2.146 96 F HA -0.277 4.149 4.527 -0.168 0.000 0.298 96 F C 1.357 177.101 175.800 -0.094 0.000 1.096 96 F CA 3.508 61.439 58.000 -0.115 0.000 1.275 96 F CB 0.294 39.254 39.000 -0.066 0.000 1.008 96 F HN -0.689 7.729 8.300 0.198 0.000 0.480 97 N N -1.946 116.852 118.700 0.163 0.000 2.244 97 N HA -0.393 4.428 4.740 0.135 0.000 0.183 97 N C 1.601 177.104 175.510 -0.012 0.000 1.016 97 N CA 2.944 56.047 53.050 0.088 0.000 0.866 97 N CB 0.089 38.618 38.487 0.071 0.000 0.980 97 N HN -0.571 7.914 8.380 0.175 0.000 0.430 98 R N -1.340 119.130 120.500 -0.050 0.000 2.075 98 R HA -0.234 4.079 4.340 -0.045 0.000 0.230 98 R C 2.086 178.310 176.300 -0.127 0.000 1.140 98 R CA 2.584 58.638 56.100 -0.076 0.000 0.928 98 R CB -0.322 29.935 30.300 -0.072 0.000 0.834 98 R HN -0.462 7.679 8.270 -0.037 0.107 0.429 99 V N -2.663 117.110 119.914 -0.235 0.000 2.488 99 V HA -0.144 3.873 4.120 -0.170 0.000 0.246 99 V C 1.604 177.553 176.094 -0.242 0.000 1.046 99 V CA 2.202 64.344 62.300 -0.264 0.000 1.053 99 V CB -0.112 31.433 31.823 -0.463 0.000 0.679 99 V HN -0.451 7.561 8.190 -0.298 0.000 0.458 100 L N -2.589 118.453 121.223 -0.301 0.000 2.307 100 L HA 0.178 4.378 4.340 -0.233 0.000 0.211 100 L C 1.651 178.451 176.870 -0.116 0.000 1.099 100 L CA 0.743 55.433 54.840 -0.250 0.000 0.816 100 L CB -0.351 41.463 42.059 -0.408 0.000 0.952 100 L HN 0.122 8.141 8.230 -0.351 0.000 0.455 101 G N 0.247 109.005 108.800 -0.070 0.000 2.599 101 G HA2 -0.280 3.686 3.960 0.011 0.000 0.219 101 G HA3 -0.280 3.799 3.960 -0.023 -0.133 0.219 101 G C -1.521 173.344 174.900 -0.058 0.000 1.193 101 G CA 3.677 48.760 45.100 -0.029 0.000 0.778 101 G HN 0.060 8.187 8.290 -0.086 0.111 0.589 102 P HA -0.024 4.355 4.420 -0.068 0.000 0.225 102 P C 1.097 178.305 177.300 -0.152 0.000 1.148 102 P CA 2.140 65.186 63.100 -0.089 0.000 0.779 102 P CB -0.476 31.180 31.700 -0.074 0.000 0.780 103 V N -0.447 119.339 119.914 -0.214 0.000 2.331 103 V HA -0.231 3.561 4.120 -0.547 0.000 0.242 103 V C 2.049 177.944 176.094 -0.332 0.000 1.034 103 V CA 2.668 64.713 62.300 -0.425 0.000 1.027 103 V CB -0.290 31.238 31.823 -0.491 0.000 0.667 103 V HN -0.143 7.756 8.190 -0.172 0.188 0.457 104 V N -0.287 119.539 119.914 -0.146 0.000 2.427 104 V HA -0.421 3.687 4.120 -0.019 0.000 0.248 104 V C 2.160 178.224 176.094 -0.051 0.000 1.051 104 V CA 3.097 65.377 62.300 -0.033 0.000 1.048 104 V CB -1.378 30.496 31.823 0.084 0.000 0.666 104 V HN 0.284 8.406 8.190 -0.112 0.000 0.456 105 K N -0.160 120.207 120.400 -0.055 0.000 1.991 105 K HA -0.362 3.943 4.320 -0.024 0.000 0.212 105 K C 2.258 178.817 176.600 -0.068 0.000 1.049 105 K CA 4.005 60.264 56.287 -0.046 0.000 0.932 105 K CB -0.430 32.045 32.500 -0.040 0.000 0.717 105 K HN 0.436 8.649 8.250 -0.062 0.000 0.441 106 G N -2.941 105.808 108.800 -0.086 0.000 2.550 106 G HA2 -0.267 3.662 3.960 -0.052 0.000 0.222 106 G HA3 -0.267 3.650 3.960 -0.071 0.000 0.222 106 G C 1.406 176.262 174.900 -0.073 0.000 1.113 106 G CA 2.089 47.147 45.100 -0.070 0.000 0.748 106 G HN -0.462 7.765 8.290 -0.104 0.000 0.585 107 I N 0.613 121.117 120.570 -0.110 0.000 2.353 107 I HA -0.371 3.726 4.170 -0.123 0.000 0.248 107 I C 1.393 177.384 176.117 -0.210 0.000 1.119 107 I CA 2.830 64.021 61.300 -0.182 0.000 1.417 107 I CB -0.046 37.759 38.000 -0.325 0.000 1.078 107 I HN -0.655 7.351 8.210 -0.118 0.133 0.421 108 V N -0.202 119.628 119.914 -0.140 0.000 2.407 108 V HA -0.347 3.716 4.120 -0.095 0.000 0.248 108 V C 1.411 177.450 176.094 -0.091 0.000 1.055 108 V CA 1.964 64.211 62.300 -0.089 0.000 1.049 108 V CB -0.942 30.867 31.823 -0.022 0.000 0.662 108 V HN -0.107 7.915 8.190 -0.109 0.102 0.455 109 G N -2.123 106.627 108.800 -0.084 0.000 2.440 109 G HA2 -0.205 3.718 3.960 -0.062 0.000 0.218 109 G HA3 -0.205 3.717 3.960 -0.063 0.000 0.218 109 G C 1.045 175.879 174.900 -0.111 0.000 1.154 109 G CA 1.938 46.992 45.100 -0.076 0.000 0.767 109 G HN -0.298 7.931 8.290 -0.079 0.014 0.552 110 M N -1.990 117.522 119.600 -0.147 0.000 2.419 110 M HA -0.024 4.548 4.480 -0.181 -0.202 0.264 110 M C 0.563 176.629 176.300 -0.391 0.000 1.082 110 M CA 2.060 57.224 55.300 -0.225 0.000 1.119 110 M CB 0.498 32.990 32.600 -0.180 0.000 1.398 110 M HN -0.852 7.359 8.290 -0.131 0.000 0.453 111 C N -0.611 118.490 119.300 -0.332 0.000 2.293 111 C HA -0.108 4.040 4.460 -0.519 0.000 0.380 111 C C -2.587 172.312 174.990 -0.152 0.000 1.343 111 C CA -1.305 57.522 59.018 -0.318 0.000 1.754 111 C CB -1.910 25.711 27.740 -0.198 0.000 2.265 111 C HN -0.583 7.360 8.230 -0.244 0.141 0.579 112 D N -1.149 119.160 120.400 -0.152 0.000 2.369 112 D HA 0.130 4.734 4.640 -0.060 0.000 0.212 112 D C -0.981 175.270 176.300 -0.083 0.000 1.326 112 D CA 0.459 54.410 54.000 -0.082 0.000 0.933 112 D CB 2.128 42.899 40.800 -0.048 0.000 1.516 112 D HN -0.952 7.195 8.370 -0.202 0.101 0.557 113 K N 3.285 123.643 120.400 -0.071 0.000 2.404 113 K HA 0.024 4.305 4.320 -0.065 0.000 0.194 113 K C -0.088 176.490 176.600 -0.037 0.000 1.023 113 K CA 0.313 56.565 56.287 -0.058 0.000 1.094 113 K CB -0.469 31.997 32.500 -0.056 0.000 0.841 113 K HN 0.388 8.601 8.250 -0.062 0.000 0.523 114 N N -2.050 116.633 118.700 -0.029 0.000 2.294 114 N HA -0.061 4.669 4.740 -0.018 0.000 0.186 114 N C -0.891 174.609 175.510 -0.017 0.000 1.107 114 N CA -0.480 52.559 53.050 -0.018 0.000 0.884 114 N CB 0.135 38.615 38.487 -0.011 0.000 1.030 114 N HN -0.752 7.712 8.380 -0.032 -0.103 0.482 115 A N -0.907 121.900 122.820 -0.021 0.000 2.632 115 A HA -0.287 4.048 4.320 -0.023 -0.029 0.294 115 A C -0.829 176.749 177.584 -0.010 0.000 1.447 115 A CA 1.029 53.055 52.037 -0.019 0.000 0.728 115 A CB -2.293 16.696 19.000 -0.018 0.000 1.102 115 A HN -0.315 7.883 8.150 -0.028 -0.065 0.422 116 D N -1.578 118.819 120.400 -0.005 0.000 2.479 116 D HA 0.057 4.698 4.640 0.000 0.000 0.216 116 D C 1.564 177.867 176.300 0.005 0.000 1.110 116 D CA -0.475 53.526 54.000 0.002 0.000 0.841 116 D CB 0.981 41.786 40.800 0.008 0.000 1.040 116 D HN 0.386 9.363 8.370 -0.007 -0.611 0.505 117 G N 0.687 109.489 108.800 0.003 0.000 2.159 117 G HA2 -0.489 3.471 3.960 -0.000 0.000 0.256 117 G HA3 -0.489 3.474 3.960 0.005 0.000 0.256 117 G C -1.460 173.452 174.900 0.019 0.000 0.977 117 G CA 0.517 45.620 45.100 0.006 0.000 0.652 117 G HN -0.343 8.148 8.290 -0.003 -0.203 0.531 118 Q N -2.526 117.291 119.800 0.029 0.000 2.458 118 Q HA 0.322 4.691 4.340 0.049 0.000 0.282 118 Q C -1.190 174.854 176.000 0.074 0.000 1.106 118 Q CA -1.756 54.076 55.803 0.048 0.000 0.814 118 Q CB 3.801 32.566 28.738 0.045 0.000 1.425 118 Q HN -0.026 8.647 8.270 0.023 -0.389 0.437 119 I N 2.236 122.872 120.570 0.110 0.000 2.371 119 I HA 0.202 4.685 4.170 0.161 -0.216 0.282 119 I C -0.880 175.354 176.117 0.195 0.000 1.031 119 I CA -2.811 58.594 61.300 0.174 0.000 1.180 119 I CB -1.162 36.990 38.000 0.253 0.000 1.336 119 I HN 0.595 8.758 8.210 0.097 0.105 0.467 120 N N 6.869 125.650 118.700 0.135 0.000 2.493 120 N HA 0.101 4.930 4.740 0.150 0.000 0.275 120 N C 0.997 176.453 175.510 -0.090 0.000 1.186 120 N CA -0.411 52.680 53.050 0.069 0.000 0.978 120 N CB 1.660 40.160 38.487 0.022 0.000 1.184 120 N HN 0.272 9.069 8.380 0.108 -0.352 0.487 121 A N 1.843 124.333 122.820 -0.550 0.000 1.958 121 A HA -0.495 3.018 4.320 -1.345 0.000 0.221 121 A C 0.650 178.060 177.584 -0.289 0.000 1.178 121 A CA 3.857 55.311 52.037 -0.972 0.000 0.642 121 A CB -0.454 17.809 19.000 -1.227 0.000 0.816 121 A HN 0.857 8.718 8.150 -0.482 0.000 0.453 122 D N -3.424 116.884 120.400 -0.153 0.000 2.219 122 D HA -0.269 4.344 4.640 -0.044 0.000 0.205 122 D C 1.913 178.232 176.300 0.033 0.000 0.970 122 D CA 2.657 56.630 54.000 -0.044 0.000 0.851 122 D CB -0.191 40.589 40.800 -0.033 0.000 0.943 122 D HN 0.184 8.439 8.370 -0.167 0.015 0.488 123 E N -0.051 120.191 120.200 0.069 0.000 2.060 123 E HA -0.207 4.204 4.350 0.102 0.000 0.189 123 E C 2.224 179.000 176.600 0.293 0.000 0.974 123 E CA 2.245 58.732 56.400 0.145 0.000 0.808 123 E CB 0.201 29.983 29.700 0.136 0.000 0.768 123 E HN -0.067 8.141 8.360 0.032 0.171 0.453 124 F N 1.135 121.168 119.950 0.139 0.000 2.095 124 F HA -0.397 4.361 4.527 0.385 0.000 0.298 124 F C 1.541 177.463 175.800 0.204 0.000 1.104 124 F CA 3.185 61.331 58.000 0.243 0.000 1.232 124 F CB -0.026 39.124 39.000 0.249 0.000 0.987 124 F HN 0.334 8.736 8.300 0.351 0.108 0.475 125 A N -1.812 121.115 122.820 0.179 0.000 1.883 125 A HA -0.484 3.844 4.320 0.013 0.000 0.217 125 A C 1.169 178.806 177.584 0.088 0.000 1.186 125 A CA 3.341 55.418 52.037 0.067 0.000 0.624 125 A CB -1.058 17.969 19.000 0.045 0.000 0.822 125 A HN 0.036 8.301 8.150 0.190 0.000 0.444 126 A N -2.813 120.102 122.820 0.159 0.000 1.986 126 A HA -0.263 4.161 4.320 0.174 0.000 0.220 126 A C 1.625 179.443 177.584 0.389 0.000 1.171 126 A CA 2.804 54.981 52.037 0.233 0.000 0.640 126 A CB -0.657 18.473 19.000 0.218 0.000 0.811 126 A HN -0.404 7.837 8.150 0.152 0.000 0.451 127 W N -0.767 120.623 121.300 0.150 0.000 2.481 127 W HA -0.151 4.643 4.660 0.222 0.000 0.293 127 W C 1.254 177.711 176.519 -0.103 0.000 1.201 127 W CA 1.227 58.642 57.345 0.116 0.000 1.328 127 W CB 0.092 29.635 29.460 0.139 0.000 1.112 127 W HN -0.635 7.660 8.180 0.406 0.128 0.546 128 L N -0.337 120.748 121.223 -0.230 0.000 2.046 128 L HA -0.525 3.439 4.340 -0.625 0.000 0.208 128 L C 2.456 179.204 176.870 -0.203 0.000 1.077 128 L CA 4.145 58.746 54.840 -0.398 0.000 0.747 128 L CB -0.231 41.599 42.059 -0.383 0.000 0.896 128 L HN 0.250 8.381 8.230 -0.164 0.000 0.432 129 T N -1.334 113.170 114.554 -0.083 0.000 2.951 129 T HA -0.207 4.440 4.350 -0.068 -0.338 0.268 129 T C 1.252 175.925 174.700 -0.044 0.000 1.073 129 T CA 3.149 65.221 62.100 -0.047 0.000 1.134 129 T CB -0.487 68.381 68.868 -0.001 0.000 0.884 129 T HN -0.035 8.182 8.240 -0.038 0.000 0.479 130 A N 0.593 123.397 122.820 -0.026 0.000 1.930 130 A HA -0.196 4.085 4.320 -0.064 0.000 0.217 130 A C 0.761 178.279 177.584 -0.109 0.000 1.175 130 A CA 2.179 54.166 52.037 -0.083 0.000 0.627 130 A CB -0.575 18.288 19.000 -0.228 0.000 0.815 130 A HN -0.748 7.274 8.150 0.021 0.140 0.443 131 L N -5.987 115.162 121.223 -0.123 0.000 2.558 131 L HA -0.121 4.166 4.340 -0.089 0.000 0.225 131 L C -0.315 176.477 176.870 -0.130 0.000 1.128 131 L CA -0.025 54.737 54.840 -0.130 0.000 0.868 131 L CB 0.289 42.226 42.059 -0.203 0.000 1.006 131 L HN -0.670 7.470 8.230 -0.149 0.000 0.454 132 G N -2.949 105.781 108.800 -0.117 0.000 2.155 132 G HA2 -0.199 3.714 3.960 -0.079 0.000 0.135 132 G HA3 -0.199 3.699 3.960 -0.103 0.000 0.135 132 G C -0.543 174.294 174.900 -0.104 0.000 1.023 132 G CA -0.591 44.449 45.100 -0.100 0.000 0.688 132 G HN -0.776 7.261 8.290 -0.113 0.186 0.499 133 M N -0.694 118.836 119.600 -0.117 0.000 2.478 133 M HA 0.273 4.694 4.480 -0.099 0.000 0.327 133 M C 0.025 176.281 176.300 -0.072 0.000 1.187 133 M CA -1.788 53.446 55.300 -0.109 0.000 1.022 133 M CB 1.388 33.896 32.600 -0.154 0.000 1.629 133 M HN -0.139 7.994 8.290 -0.126 0.082 0.461 134 S N 1.048 116.716 115.700 -0.054 0.000 2.632 134 S HA 0.130 4.582 4.470 -0.030 0.000 0.267 134 S C 1.068 175.655 174.600 -0.022 0.000 1.276 134 S CA -0.899 57.281 58.200 -0.032 0.000 0.998 134 S CB 1.287 64.472 63.200 -0.024 0.000 0.953 134 S HN 0.385 8.662 8.310 -0.056 0.000 0.547 135 K N 0.962 121.356 120.400 -0.010 0.000 2.211 135 K HA -0.189 4.131 4.320 0.000 0.000 0.203 135 K C 1.396 178.002 176.600 0.010 0.000 1.050 135 K CA 2.630 58.917 56.287 0.001 0.000 0.945 135 K CB -0.324 32.179 32.500 0.004 0.000 0.732 135 K HN 0.455 8.699 8.250 -0.010 0.000 0.451 136 A N -1.606 121.219 122.820 0.008 0.000 2.072 136 A HA 0.000 4.335 4.320 0.025 0.000 0.216 136 A C 2.044 179.644 177.584 0.026 0.000 1.156 136 A CA 2.229 54.277 52.037 0.018 0.000 0.701 136 A CB -0.830 18.178 19.000 0.013 0.000 0.816 136 A HN 0.169 8.288 8.150 0.001 0.032 0.458 137 E N -0.815 119.392 120.200 0.012 0.000 2.072 137 E HA -0.284 4.078 4.350 0.021 0.000 0.190 137 E C 2.012 178.637 176.600 0.042 0.000 0.982 137 E CA 2.502 58.909 56.400 0.012 0.000 0.803 137 E CB -0.445 29.239 29.700 -0.026 0.000 0.755 137 E HN -0.685 7.526 8.360 -0.002 0.148 0.453 138 A N 0.128 122.969 122.820 0.034 0.000 1.851 138 A HA -0.414 3.949 4.320 0.072 0.000 0.216 138 A C 1.442 179.151 177.584 0.208 0.000 1.195 138 A CA 3.418 55.510 52.037 0.091 0.000 0.622 138 A CB -0.847 18.179 19.000 0.044 0.000 0.831 138 A HN -0.572 7.583 8.150 0.008 0.000 0.444 139 A N -2.458 120.446 122.820 0.139 0.000 1.927 139 A HA -0.393 4.029 4.320 0.170 0.000 0.220 139 A C 2.419 180.127 177.584 0.207 0.000 1.185 139 A CA 3.155 55.288 52.037 0.159 0.000 0.639 139 A CB -0.836 18.219 19.000 0.091 0.000 0.820 139 A HN -0.308 7.893 8.150 0.086 0.000 0.451 140 E N -1.587 118.703 120.200 0.150 0.000 2.046 140 E HA -0.284 4.135 4.350 0.114 0.000 0.190 140 E C 2.276 178.968 176.600 0.154 0.000 0.982 140 E CA 2.966 59.442 56.400 0.126 0.000 0.800 140 E CB -0.089 29.659 29.700 0.080 0.000 0.756 140 E HN -0.697 7.725 8.360 0.118 0.009 0.449 141 A N -0.003 122.935 122.820 0.197 0.000 1.933 141 A HA -0.272 4.143 4.320 0.158 0.000 0.218 141 A C 1.555 179.318 177.584 0.298 0.000 1.175 141 A CA 2.923 55.107 52.037 0.245 0.000 0.628 141 A CB -0.423 18.749 19.000 0.286 0.000 0.814 141 A HN 0.091 8.350 8.150 0.181 0.000 0.444 142 F N -0.499 119.583 119.950 0.221 0.000 2.025 142 F HA -0.520 3.888 4.527 -0.199 0.000 0.297 142 F C 1.436 177.215 175.800 -0.036 0.000 1.132 142 F CA 3.489 61.513 58.000 0.041 0.000 1.191 142 F CB 0.031 39.097 39.000 0.111 0.000 0.963 142 F HN 0.381 8.983 8.300 0.527 0.014 0.481 143 N N -3.383 115.306 118.700 -0.017 0.000 2.149 143 N HA -0.382 4.174 4.740 -0.306 0.000 0.188 143 N C 1.391 176.810 175.510 -0.152 0.000 1.019 143 N CA 3.083 56.051 53.050 -0.135 0.000 0.857 143 N CB 0.002 38.508 38.487 0.032 0.000 0.997 143 N HN -0.824 7.712 8.380 0.260 0.000 0.426 144 Q N -3.299 116.459 119.800 -0.070 0.000 2.167 144 Q HA -0.167 4.144 4.340 -0.048 0.000 0.202 144 Q C 1.221 177.160 176.000 -0.102 0.000 0.970 144 Q CA 2.147 57.918 55.803 -0.054 0.000 0.855 144 Q CB 0.463 29.205 28.738 0.006 0.000 0.911 144 Q HN -0.671 7.495 8.270 -0.005 0.100 0.438 145 V N -3.169 116.641 119.914 -0.174 0.000 2.535 145 V HA -0.151 3.896 4.120 -0.123 0.000 0.246 145 V C 0.683 176.617 176.094 -0.268 0.000 1.045 145 V CA 1.731 63.907 62.300 -0.207 0.000 1.058 145 V CB 0.567 32.227 31.823 -0.273 0.000 0.689 145 V HN -0.688 7.253 8.190 -0.197 0.131 0.461 146 D N 1.417 121.575 120.400 -0.404 0.000 2.542 146 D HA -0.112 4.323 4.640 -0.341 0.000 0.242 146 D C 1.040 177.216 176.300 -0.206 0.000 1.207 146 D CA 1.198 54.979 54.000 -0.366 0.000 1.172 146 D CB -1.752 38.746 40.800 -0.504 0.000 1.126 146 D HN -0.403 7.657 8.370 -0.516 0.000 0.500 147 T N 5.882 120.344 114.554 -0.152 0.000 2.803 147 T HA -0.297 3.998 4.350 -0.091 0.000 0.269 147 T C 0.733 175.383 174.700 -0.082 0.000 1.052 147 T CA 3.608 65.648 62.100 -0.100 0.000 1.136 147 T CB 0.155 68.976 68.868 -0.079 0.000 0.864 147 T HN 0.555 8.716 8.240 -0.159 -0.016 0.467 148 N N -1.844 116.805 118.700 -0.086 0.000 2.270 148 N HA 0.090 4.800 4.740 -0.051 0.000 0.198 148 N C 0.513 175.986 175.510 -0.062 0.000 1.117 148 N CA -0.908 52.105 53.050 -0.062 0.000 0.845 148 N CB -0.966 37.491 38.487 -0.050 0.000 0.980 148 N HN -0.218 8.410 8.380 -0.105 -0.310 0.486 149 G N -0.288 108.459 108.800 -0.088 0.000 2.422 149 G HA2 -0.351 3.544 3.960 -0.108 0.000 0.301 149 G HA3 -0.351 3.575 3.960 -0.055 0.000 0.301 149 G C 0.328 175.201 174.900 -0.045 0.000 0.981 149 G CA 1.559 46.614 45.100 -0.076 0.000 0.994 149 G HN -0.024 7.999 8.290 -0.114 0.199 0.514 150 N N -0.777 117.894 118.700 -0.048 0.000 2.299 150 N HA -0.046 4.691 4.740 -0.005 0.000 0.187 150 N C 1.350 176.871 175.510 0.020 0.000 1.099 150 N CA -0.666 52.376 53.050 -0.013 0.000 0.867 150 N CB 0.415 38.893 38.487 -0.014 0.000 0.974 150 N HN -0.667 7.831 8.380 -0.077 -0.164 0.477 151 G N -0.717 108.098 108.800 0.024 0.000 2.175 151 G HA2 -0.420 3.679 3.960 0.231 0.000 0.244 151 G HA3 -0.420 3.626 3.960 0.143 0.000 0.244 151 G C -1.904 173.143 174.900 0.245 0.000 0.982 151 G CA -0.018 45.174 45.100 0.155 0.000 0.641 151 G HN 0.483 8.698 8.290 -0.047 0.048 0.527 152 E N -1.203 119.061 120.200 0.106 0.000 2.256 152 E HA 0.492 4.986 4.350 0.241 0.000 0.268 152 E C -1.406 175.207 176.600 0.022 0.000 0.877 152 E CA -2.278 54.196 56.400 0.123 0.000 0.757 152 E CB 2.776 32.520 29.700 0.073 0.000 1.183 152 E HN -0.334 8.348 8.360 0.017 -0.311 0.418 153 L N 6.385 127.646 121.223 0.063 0.000 2.272 153 L HA 0.285 4.551 4.340 -0.123 0.000 0.284 153 L C -0.896 175.979 176.870 0.008 0.000 1.045 153 L CA -0.993 53.819 54.840 -0.046 0.000 0.842 153 L CB 0.654 42.638 42.059 -0.126 0.000 1.224 153 L HN 0.235 8.574 8.230 0.182 0.000 0.430 154 S N 2.549 118.245 115.700 -0.007 0.000 2.672 154 S HA 0.209 4.698 4.470 0.031 0.000 0.276 154 S C 0.575 175.191 174.600 0.026 0.000 1.207 154 S CA -1.246 56.964 58.200 0.016 0.000 1.002 154 S CB 1.919 65.122 63.200 0.006 0.000 0.998 154 S HN -0.425 8.038 8.310 -0.033 -0.173 0.542 155 L N 3.155 124.401 121.223 0.038 0.000 2.064 155 L HA -0.384 4.000 4.340 0.074 0.000 0.216 155 L C 1.494 178.392 176.870 0.048 0.000 1.077 155 L CA 4.052 58.922 54.840 0.051 0.000 0.766 155 L CB -0.902 41.180 42.059 0.039 0.000 0.890 155 L HN 0.848 9.098 8.230 0.033 0.000 0.435 156 D N -2.095 118.320 120.400 0.025 0.000 2.088 156 D HA -0.351 4.304 4.640 0.024 0.000 0.191 156 D C 2.322 178.624 176.300 0.003 0.000 0.992 156 D CA 4.207 58.215 54.000 0.014 0.000 0.831 156 D CB -0.255 40.545 40.800 -0.001 0.000 0.973 156 D HN 0.228 8.594 8.370 0.018 0.015 0.447 157 E N -0.604 119.586 120.200 -0.016 0.000 2.401 157 E HA -0.268 4.054 4.350 -0.047 0.000 0.199 157 E C 2.376 178.965 176.600 -0.019 0.000 1.023 157 E CA 2.280 58.655 56.400 -0.043 0.000 0.859 157 E CB -0.278 29.370 29.700 -0.088 0.000 0.780 157 E HN -0.443 7.906 8.360 -0.018 0.000 0.523 158 L N -0.178 121.067 121.223 0.036 0.000 1.993 158 L HA -0.394 4.015 4.340 0.115 0.000 0.206 158 L C 1.552 178.509 176.870 0.145 0.000 1.074 158 L CA 3.462 58.375 54.840 0.121 0.000 0.746 158 L CB 0.037 42.204 42.059 0.180 0.000 0.896 158 L HN -0.233 7.834 8.230 0.037 0.185 0.435 159 L N -3.120 118.179 121.223 0.128 0.000 2.042 159 L HA -0.479 3.990 4.340 0.215 0.000 0.210 159 L C 2.237 179.113 176.870 0.009 0.000 1.076 159 L CA 3.133 58.051 54.840 0.131 0.000 0.749 159 L CB -1.148 41.004 42.059 0.155 0.000 0.893 159 L HN -0.586 7.711 8.230 0.113 0.000 0.432 160 T N 0.276 114.812 114.554 -0.029 0.000 2.607 160 T HA -0.362 3.900 4.350 -0.147 0.000 0.267 160 T C 1.258 175.934 174.700 -0.041 0.000 1.049 160 T CA 3.455 65.508 62.100 -0.078 0.000 1.162 160 T CB -0.346 68.483 68.868 -0.065 0.000 0.863 160 T HN -0.610 7.617 8.240 -0.007 0.009 0.424 161 A N -0.966 121.861 122.820 0.011 0.000 1.902 161 A HA -0.236 4.100 4.320 0.026 0.000 0.217 161 A C 1.558 179.202 177.584 0.100 0.000 1.181 161 A CA 2.249 54.317 52.037 0.051 0.000 0.623 161 A CB 0.118 19.163 19.000 0.074 0.000 0.818 161 A HN -0.733 7.425 8.150 0.012 0.000 0.443 162 V N -0.794 119.204 119.914 0.141 0.000 2.215 162 V HA -0.402 3.839 4.120 0.202 0.000 0.246 162 V C 1.565 177.779 176.094 0.200 0.000 1.047 162 V CA 3.893 66.312 62.300 0.198 0.000 0.999 162 V CB -0.053 31.930 31.823 0.267 0.000 0.635 162 V HN -0.054 8.155 8.190 0.140 0.065 0.450 163 R N 0.098 120.667 120.500 0.116 0.000 2.441 163 R HA -0.116 4.385 4.340 0.269 0.000 0.300 163 R C -1.196 175.053 176.300 -0.085 0.000 1.284 163 R CA 0.430 56.560 56.100 0.049 0.000 1.069 163 R CB -1.292 28.876 30.300 -0.220 0.000 1.087 163 R HN -0.365 7.939 8.270 0.058 0.000 0.519 164 D N 2.491 122.900 120.400 0.014 0.000 3.422 164 D HA 0.067 4.588 4.640 -0.199 0.000 0.277 164 D C -0.880 175.430 176.300 0.016 0.000 1.625 164 D CA 0.626 54.585 54.000 -0.069 0.000 0.811 164 D CB 0.975 41.759 40.800 -0.028 0.000 1.454 164 D HN -0.284 8.224 8.370 0.230 0.000 0.573 165 F N -3.215 116.726 119.950 -0.015 0.000 2.749 165 F HA 0.145 4.674 4.527 0.003 0.000 0.300 165 F C -0.513 175.267 175.800 -0.034 0.000 1.103 165 F CA -0.782 57.216 58.000 -0.003 0.000 1.342 165 F CB -0.185 38.824 39.000 0.015 0.000 1.098 165 F HN -0.439 7.765 8.300 -0.159 0.000 0.586 166 H N 1.763 120.333 119.070 -0.833 0.000 2.287 166 H HA -0.398 3.658 4.556 -0.834 0.000 0.292 166 H C 0.116 175.106 175.328 -0.564 0.000 1.068 166 H CA 3.359 58.881 56.048 -0.876 0.000 1.192 166 H CB 0.290 29.344 29.762 -1.180 0.000 1.360 166 H HN -0.541 7.251 8.280 -0.737 0.046 0.516 167 F N -2.118 117.849 119.950 0.029 0.000 2.404 167 F HA 0.018 4.550 4.527 0.008 0.000 0.354 167 F C 0.273 176.089 175.800 0.026 0.000 1.122 167 F CA -0.689 57.326 58.000 0.026 0.000 1.080 167 F CB -0.067 38.965 39.000 0.054 0.000 1.131 167 F HN -0.282 7.868 8.300 -0.251 0.000 0.471 168 G N 4.708 113.627 108.800 0.200 0.000 2.331 168 G HA2 -0.385 3.639 3.960 0.107 0.000 0.254 168 G HA3 -0.385 3.647 3.960 0.120 0.000 0.254 168 G C -0.418 174.547 174.900 0.108 0.000 0.879 168 G CA 0.027 45.204 45.100 0.128 0.000 1.287 168 G HN 0.210 8.625 8.290 0.208 0.000 0.383 169 R N 2.067 122.632 120.500 0.109 0.000 2.566 169 R HA -0.301 4.128 4.340 0.149 0.000 0.273 169 R C -0.341 176.009 176.300 0.085 0.000 0.981 169 R CA 0.709 56.880 56.100 0.119 0.000 1.091 169 R CB 0.213 30.584 30.300 0.120 0.000 0.924 169 R HN -0.055 8.281 8.270 0.109 0.000 0.411 170 L N -0.669 120.604 121.223 0.084 0.000 2.588 170 L HA 0.303 4.675 4.340 0.054 0.000 0.194 170 L C 0.483 177.390 176.870 0.063 0.000 1.070 170 L CA 0.549 55.426 54.840 0.063 0.000 0.852 170 L CB 0.479 42.570 42.059 0.054 0.000 1.199 170 L HN -0.001 8.292 8.230 0.104 0.000 0.486 171 D N -1.703 118.743 120.400 0.076 0.000 2.388 171 D HA 0.084 4.766 4.640 0.070 0.000 0.208 171 D C -0.000 176.317 176.300 0.029 0.000 1.035 171 D CA 0.218 54.261 54.000 0.072 0.000 0.875 171 D CB 1.552 42.419 40.800 0.111 0.000 0.984 171 D HN 0.130 8.554 8.370 0.090 0.000 0.508 172 V N -2.946 117.001 119.914 0.054 0.000 4.808 172 V HA -0.281 3.861 4.120 0.036 0.000 0.274 172 V C -1.169 174.904 176.094 -0.034 0.000 0.389 172 V CA 0.135 62.436 62.300 0.001 0.000 0.808 172 V CB -1.765 30.019 31.823 -0.064 0.000 0.766 172 V HN -0.060 8.191 8.190 0.101 0.000 1.392 173 E N -3.259 116.982 120.200 0.069 0.000 4.479 173 E HA -0.415 4.125 4.350 0.176 -0.085 0.204 173 E C -0.513 176.099 176.600 0.020 0.000 1.503 173 E CA 1.820 58.281 56.400 0.102 0.000 2.489 173 E CB -0.101 29.652 29.700 0.088 0.000 2.112 173 E HN -0.255 8.152 8.360 0.128 0.030 0.447 174 L N -2.455 118.834 121.223 0.110 0.000 1.961 174 L HA -0.235 4.120 4.340 0.025 0.000 0.210 174 L C 0.864 177.741 176.870 0.013 0.000 1.072 174 L CA 1.854 56.770 54.840 0.127 0.000 0.749 174 L CB 0.072 42.342 42.059 0.353 0.000 0.889 174 L HN -0.054 8.289 8.230 0.189 0.000 0.432 175 L N -5.762 115.490 121.223 0.049 0.000 2.529 175 L HA -0.159 4.137 4.340 -0.073 0.000 0.287 175 L C 0.419 177.168 176.870 -0.201 0.000 1.241 175 L CA 1.165 55.938 54.840 -0.112 0.000 0.857 175 L CB 0.128 42.018 42.059 -0.282 0.000 1.113 175 L HN -0.627 7.685 8.230 0.136 0.000 0.504 176 G N 0.000 108.662 108.800 -0.230 0.000 5.446 176 G HA2 0.000 nan 3.960 nan 0.000 0.244 176 G HA3 0.000 3.824 3.960 -0.226 0.000 0.244 176 G CA 0.000 44.969 45.100 -0.218 0.000 0.502 176 G HN 0.000 8.145 8.290 -0.241 0.000 0.925