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 1m9l_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAKATTIKDA IRIFEERKSV VATEAEKVEL HGMIPPIEKM DATLSTLKAC DATA SEQUENCE KHLALSTNNI EKISSLSGME NLRILSLGRN LIKKIENLDA VADTLEELWI DATA SEQUENCE SYNQIASLSG IEKLVNLRVL YMSNNKITNW GEIDKLAALD KLEDLLLAGN DATA SEQUENCE PLYNDYKENN ATSEYRIEVV KRLPNLKKLD GMPVDVDERE QANVARGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 3.524 4.480 -1.593 0.000 0.227 1 M C 0.000 176.148 176.300 -0.253 0.000 1.140 1 M CA 0.000 54.797 55.300 -0.838 0.000 0.988 1 M CB 0.000 32.146 32.600 -0.757 0.000 1.302 2 A N -0.324 122.499 122.820 0.005 0.000 2.042 2 A HA 0.158 4.518 4.320 0.067 0.000 0.204 2 A C -0.776 176.878 177.584 0.117 0.000 1.712 2 A CA 0.820 52.934 52.037 0.130 0.000 0.890 2 A CB 1.311 20.471 19.000 0.268 0.000 1.176 2 A HN 0.485 8.718 8.150 0.137 0.000 0.573 3 K N -2.662 117.853 120.400 0.192 0.000 1.857 3 K HA 0.264 4.635 4.320 0.085 0.000 0.252 3 K C -1.796 174.904 176.600 0.167 0.000 0.924 3 K CA -0.808 55.558 56.287 0.131 0.000 0.788 3 K CB 3.375 35.932 32.500 0.095 0.000 1.861 3 K HN -0.269 8.185 8.250 0.340 0.000 0.658 4 A N 0.036 122.922 122.820 0.110 0.000 2.686 4 A HA 0.292 4.695 4.320 0.138 0.000 0.299 4 A C -2.056 175.559 177.584 0.053 0.000 1.151 4 A CA 0.274 52.370 52.037 0.099 0.000 0.851 4 A CB 0.644 19.691 19.000 0.078 0.000 1.448 4 A HN 0.065 8.262 8.150 0.078 0.000 0.404 5 T N -0.613 113.961 114.554 0.034 0.000 2.206 5 T HA 0.113 4.471 4.350 0.013 0.000 0.168 5 T C -0.597 174.100 174.700 -0.006 0.000 0.753 5 T CA -0.584 61.521 62.100 0.009 0.000 1.041 5 T CB 1.282 70.150 68.868 -0.001 0.000 2.919 5 T HN -0.364 7.897 8.240 0.035 0.000 0.392 6 T N 2.419 116.956 114.554 -0.029 0.000 2.927 6 T HA 0.236 4.752 4.350 -0.029 -0.183 0.281 6 T C 0.754 175.407 174.700 -0.078 0.000 0.998 6 T CA -0.647 61.428 62.100 -0.042 0.000 1.019 6 T CB 2.620 71.464 68.868 -0.040 0.000 1.061 6 T HN -0.249 7.970 8.240 -0.034 0.000 0.518 7 I N 4.132 124.657 120.570 -0.074 0.000 2.076 7 I HA -0.488 3.604 4.170 -0.130 0.000 0.237 7 I C 1.065 177.087 176.117 -0.157 0.000 1.059 7 I CA 4.495 65.730 61.300 -0.109 0.000 1.317 7 I CB 0.039 37.998 38.000 -0.067 0.000 1.037 7 I HN 0.570 8.750 8.210 -0.051 0.000 0.398 8 K N -1.302 119.032 120.400 -0.110 0.000 2.001 8 K HA -0.369 3.884 4.320 -0.111 0.000 0.214 8 K C 1.381 177.899 176.600 -0.137 0.000 1.050 8 K CA 4.362 60.584 56.287 -0.108 0.000 0.934 8 K CB -1.180 31.279 32.500 -0.069 0.000 0.718 8 K HN 0.257 8.459 8.250 -0.080 0.000 0.443 9 D N -1.491 118.840 120.400 -0.114 0.000 2.108 9 D HA -0.271 4.317 4.640 -0.087 0.000 0.190 9 D C 2.117 178.313 176.300 -0.173 0.000 0.995 9 D CA 3.062 56.998 54.000 -0.107 0.000 0.834 9 D CB -0.778 39.981 40.800 -0.068 0.000 0.967 9 D HN -0.117 8.199 8.370 -0.090 0.000 0.446 10 A N -0.132 122.546 122.820 -0.237 0.000 1.892 10 A HA -0.363 3.830 4.320 -0.212 0.000 0.218 10 A C 2.305 179.305 177.584 -0.973 0.000 1.188 10 A CA 3.188 54.971 52.037 -0.423 0.000 0.631 10 A CB -0.357 18.433 19.000 -0.349 0.000 0.822 10 A HN -0.016 7.925 8.150 -0.179 0.101 0.447 11 I N -2.249 117.785 120.570 -0.893 0.000 2.315 11 I HA -0.546 2.697 4.170 -1.544 0.000 0.248 11 I C 2.043 177.946 176.117 -0.357 0.000 1.117 11 I CA 3.745 64.548 61.300 -0.830 0.000 1.404 11 I CB -0.375 37.372 38.000 -0.422 0.000 1.071 11 I HN 0.287 8.149 8.210 -0.579 0.000 0.419 12 R N 0.079 120.445 120.500 -0.224 0.000 2.092 12 R HA -0.368 3.936 4.340 -0.060 0.000 0.231 12 R C 2.424 178.694 176.300 -0.050 0.000 1.119 12 R CA 3.787 59.830 56.100 -0.096 0.000 0.970 12 R CB -0.014 30.242 30.300 -0.073 0.000 0.864 12 R HN -0.192 7.935 8.270 -0.238 0.000 0.440 13 I N -0.391 120.132 120.570 -0.078 0.000 2.454 13 I HA -0.374 3.817 4.170 0.035 0.000 0.254 13 I C 1.802 178.025 176.117 0.176 0.000 1.156 13 I CA 3.848 65.163 61.300 0.025 0.000 1.433 13 I CB -0.050 37.957 38.000 0.013 0.000 1.082 13 I HN 0.423 8.353 8.210 -0.165 0.181 0.432 14 F N -0.752 119.205 119.950 0.012 0.000 2.234 14 F HA -0.175 4.363 4.527 0.018 0.000 0.296 14 F C 2.253 178.062 175.800 0.015 0.000 1.089 14 F CA -0.035 57.974 58.000 0.016 0.000 1.343 14 F CB -1.460 37.551 39.000 0.018 0.000 1.040 14 F HN 0.016 8.120 8.300 -0.070 0.154 0.498 15 E N 0.700 121.009 120.200 0.182 0.000 2.204 15 E HA -0.277 4.399 4.350 0.111 -0.260 0.194 15 E C 2.714 179.359 176.600 0.076 0.000 0.989 15 E CA 2.948 59.409 56.400 0.103 0.000 0.824 15 E CB -0.078 29.655 29.700 0.055 0.000 0.756 15 E HN -0.105 8.245 8.360 0.126 0.085 0.477 16 E N -1.697 118.548 120.200 0.075 0.000 2.079 16 E HA -0.052 4.323 4.350 0.042 0.000 0.191 16 E C 1.461 178.097 176.600 0.061 0.000 0.961 16 E CA 2.215 58.648 56.400 0.055 0.000 0.823 16 E CB 0.482 30.205 29.700 0.040 0.000 0.789 16 E HN -0.290 8.001 8.360 0.085 0.121 0.459 17 R N -1.282 119.268 120.500 0.083 0.000 2.048 17 R HA -0.145 4.227 4.340 0.053 0.000 0.224 17 R C 1.678 178.018 176.300 0.067 0.000 1.163 17 R CA 1.817 57.960 56.100 0.073 0.000 0.956 17 R CB 0.352 30.703 30.300 0.084 0.000 0.849 17 R HN 0.084 8.305 8.270 0.110 0.115 0.435 18 K N -2.760 117.692 120.400 0.086 0.000 2.063 18 K HA -0.148 4.195 4.320 0.038 0.000 0.208 18 K C 0.602 177.229 176.600 0.045 0.000 1.048 18 K CA 1.005 57.324 56.287 0.053 0.000 0.928 18 K CB 0.618 33.132 32.500 0.024 0.000 0.713 18 K HN -0.244 8.087 8.250 0.135 0.000 0.442 19 S N -3.388 112.350 115.700 0.063 0.000 4.152 19 S HA -0.398 4.334 4.470 0.052 -0.230 0.363 19 S C -0.944 173.683 174.600 0.045 0.000 0.986 19 S CA -0.073 58.155 58.200 0.046 0.000 1.019 19 S CB -0.998 62.216 63.200 0.023 0.000 0.816 19 S HN -0.126 8.141 8.310 0.095 0.100 0.511 20 V N -6.165 113.792 119.914 0.073 0.000 3.105 20 V HA 0.541 4.689 4.120 0.046 0.000 0.311 20 V C -1.663 174.481 176.094 0.083 0.000 1.287 20 V CA -2.445 59.895 62.300 0.068 0.000 1.066 20 V CB 2.641 34.502 31.823 0.062 0.000 1.105 20 V HN -0.334 7.918 8.190 0.105 0.000 0.462 21 V N 1.304 121.262 119.914 0.073 0.000 2.318 21 V HA 0.108 4.267 4.120 0.065 0.000 0.271 21 V C -1.040 175.110 176.094 0.094 0.000 1.030 21 V CA -0.260 62.082 62.300 0.070 0.000 0.844 21 V CB -0.746 31.105 31.823 0.048 0.000 1.015 21 V HN 0.491 8.719 8.190 0.064 0.000 0.460 22 A N 7.676 130.563 122.820 0.112 0.000 1.997 22 A HA 0.299 4.711 4.320 0.153 0.000 0.214 22 A C -0.083 177.550 177.584 0.082 0.000 1.458 22 A CA 0.325 52.444 52.037 0.138 0.000 0.692 22 A CB 1.054 20.182 19.000 0.213 0.000 1.145 22 A HN 0.589 8.797 8.150 0.096 0.000 0.515 23 T N -1.797 112.787 114.554 0.050 0.000 3.720 23 T HA -0.477 3.881 4.350 0.014 0.000 0.381 23 T C -1.004 173.712 174.700 0.026 0.000 0.763 23 T CA 0.191 62.307 62.100 0.027 0.000 1.957 23 T CB -0.847 68.035 68.868 0.024 0.000 1.767 23 T HN 0.090 8.356 8.240 0.043 0.000 0.743 24 E N -4.351 115.863 120.200 0.024 0.000 2.360 24 E HA -0.509 3.858 4.350 0.029 0.000 0.236 24 E C -1.588 175.032 176.600 0.034 0.000 1.312 24 E CA 0.643 57.056 56.400 0.023 0.000 0.714 24 E CB -0.425 29.277 29.700 0.002 0.000 1.202 24 E HN 0.188 8.556 8.360 0.014 0.000 0.386 25 A N -1.971 120.878 122.820 0.049 0.000 2.304 25 A HA 0.055 4.393 4.320 0.031 0.000 0.271 25 A C 0.055 177.672 177.584 0.054 0.000 1.091 25 A CA -0.094 51.970 52.037 0.045 0.000 0.812 25 A CB 0.878 19.907 19.000 0.048 0.000 1.056 25 A HN -0.445 7.578 8.150 0.059 0.163 0.489 26 E N 0.510 120.736 120.200 0.043 0.000 2.077 26 E HA -0.264 4.170 4.350 0.039 -0.060 0.193 26 E C 0.401 177.058 176.600 0.095 0.000 0.989 26 E CA 2.619 59.049 56.400 0.050 0.000 0.800 26 E CB 0.123 29.843 29.700 0.034 0.000 0.746 26 E HN 0.419 8.797 8.360 0.031 0.000 0.452 27 K N -0.136 120.320 120.400 0.094 0.000 2.219 27 K HA 0.130 4.832 4.320 0.324 -0.188 0.280 27 K C -1.036 175.653 176.600 0.148 0.000 1.104 27 K CA -0.296 56.080 56.287 0.148 0.000 0.925 27 K CB -0.832 31.666 32.500 -0.003 0.000 1.261 27 K HN -0.444 7.837 8.250 0.052 0.000 0.445 28 V N 6.356 126.372 119.914 0.170 0.000 2.293 28 V HA 0.128 4.321 4.120 0.121 0.000 0.275 28 V C -1.122 175.041 176.094 0.116 0.000 1.021 28 V CA -1.023 61.352 62.300 0.124 0.000 0.815 28 V CB 1.025 32.912 31.823 0.107 0.000 1.025 28 V HN 0.464 8.773 8.190 0.198 0.000 0.448 29 E N 8.381 128.651 120.200 0.117 0.000 1.893 29 E HA 0.121 4.549 4.350 0.130 0.000 0.269 29 E C -0.941 175.696 176.600 0.062 0.000 1.129 29 E CA -0.361 56.104 56.400 0.109 0.000 0.904 29 E CB -1.327 28.438 29.700 0.108 0.000 1.077 29 E HN 0.170 8.596 8.360 0.109 0.000 0.407 30 L N 2.158 123.398 121.223 0.029 0.000 2.793 30 L HA 0.236 4.568 4.340 -0.013 0.000 0.242 30 L C 0.074 176.992 176.870 0.081 0.000 1.315 30 L CA -0.692 54.139 54.840 -0.015 0.000 1.263 30 L CB 1.726 43.696 42.059 -0.147 0.000 2.076 30 L HN 0.219 8.465 8.230 0.026 0.000 0.575 31 H N -3.279 115.739 119.070 -0.088 0.000 3.640 31 H HA 0.055 4.585 4.556 -0.043 0.000 0.240 31 H C -1.138 174.149 175.328 -0.069 0.000 1.003 31 H CA -0.263 55.750 56.048 -0.058 0.000 1.082 31 H CB 2.840 32.580 29.762 -0.038 0.000 1.327 31 H HN 0.172 8.446 8.280 -0.010 0.000 0.692 32 G N -2.444 106.309 108.800 -0.079 0.000 2.608 32 G HA2 0.368 4.257 3.960 -0.164 0.000 0.291 32 G HA3 0.368 4.247 3.960 -0.105 0.018 0.291 32 G C -2.959 171.873 174.900 -0.113 0.000 1.425 32 G CA 0.070 45.096 45.100 -0.124 0.000 0.787 32 G HN -0.581 7.671 8.290 -0.063 0.000 0.484 33 M N -1.034 118.511 119.600 -0.091 0.000 2.643 33 M HA 0.341 4.780 4.480 -0.068 0.000 0.276 33 M C -2.051 174.224 176.300 -0.041 0.000 1.200 33 M CA -0.302 54.955 55.300 -0.071 0.000 0.863 33 M CB 3.885 36.434 32.600 -0.085 0.000 1.711 33 M HN 0.444 8.681 8.290 -0.089 0.000 0.492 34 I N -1.546 119.013 120.570 -0.019 0.000 2.396 34 I HA 0.460 4.622 4.170 -0.014 0.000 0.292 34 I C -1.084 175.030 176.117 -0.005 0.000 0.999 34 I CA -2.973 58.322 61.300 -0.008 0.000 1.310 34 I CB -0.159 37.844 38.000 0.004 0.000 1.404 34 I HN 0.526 8.729 8.210 -0.011 0.000 0.496 35 P HA -0.106 4.333 4.420 -0.005 -0.022 0.217 35 P C -0.919 176.383 177.300 0.003 0.000 1.158 35 P CA 3.293 66.391 63.100 -0.003 0.000 0.887 35 P CB -2.052 29.647 31.700 -0.002 0.000 0.792 36 P HA -0.100 4.325 4.420 0.008 0.000 0.242 36 P C -0.311 176.997 177.300 0.013 0.000 1.198 36 P CA -0.274 62.832 63.100 0.009 0.000 0.756 36 P CB -0.467 31.240 31.700 0.011 0.000 0.911 37 I N -0.012 120.567 120.570 0.015 0.000 2.996 37 I HA -0.391 3.798 4.170 0.031 0.000 0.310 37 I C -1.108 175.020 176.117 0.018 0.000 1.225 37 I CA 0.876 62.189 61.300 0.021 0.000 1.442 37 I CB 0.345 38.356 38.000 0.019 0.000 1.334 37 I HN -0.274 7.856 8.210 0.010 0.086 0.550 38 E N 9.173 129.386 120.200 0.022 0.000 2.933 38 E HA 0.072 4.429 4.350 0.013 0.000 0.301 38 E C -0.836 175.774 176.600 0.017 0.000 0.836 38 E CA -0.057 56.353 56.400 0.016 0.000 1.213 38 E CB 1.453 31.162 29.700 0.015 0.000 2.349 38 E HN 0.423 8.800 8.360 0.029 0.000 0.558 39 K N -1.254 119.156 120.400 0.018 0.000 2.183 39 K HA 0.176 4.504 4.320 0.013 0.000 0.274 39 K C -0.687 175.928 176.600 0.026 0.000 1.009 39 K CA -1.244 55.053 56.287 0.016 0.000 0.888 39 K CB 0.819 33.325 32.500 0.011 0.000 1.078 39 K HN 0.155 8.416 8.250 0.018 0.000 0.459 40 M N 6.213 125.830 119.600 0.027 0.000 3.028 40 M HA 0.223 4.739 4.480 0.061 0.000 0.296 40 M C -0.825 175.495 176.300 0.033 0.000 1.314 40 M CA -2.085 53.241 55.300 0.044 0.000 1.383 40 M CB -0.723 31.905 32.600 0.046 0.000 1.128 40 M HN 0.153 8.454 8.290 0.019 0.000 0.544 41 D N 5.614 126.027 120.400 0.022 0.000 2.149 41 D HA -0.314 4.328 4.640 0.003 0.000 0.198 41 D C 1.005 177.307 176.300 0.003 0.000 0.990 41 D CA 4.264 58.267 54.000 0.005 0.000 0.839 41 D CB -0.461 40.333 40.800 -0.009 0.000 0.948 41 D HN -0.210 8.134 8.370 0.024 0.040 0.460 42 A N -1.099 121.730 122.820 0.015 0.000 1.849 42 A HA -0.382 3.922 4.320 -0.027 0.000 0.217 42 A C 1.733 179.341 177.584 0.039 0.000 1.202 42 A CA 3.460 55.509 52.037 0.021 0.000 0.629 42 A CB -0.995 18.062 19.000 0.095 0.000 0.834 42 A HN 0.361 8.517 8.150 0.032 0.013 0.447 43 T N 0.266 114.854 114.554 0.056 0.000 2.624 43 T HA -0.392 3.981 4.350 0.038 0.000 0.268 43 T C 1.872 176.581 174.700 0.016 0.000 1.041 43 T CA 3.777 65.898 62.100 0.036 0.000 1.159 43 T CB -0.493 68.394 68.868 0.031 0.000 0.863 43 T HN -0.354 7.933 8.240 0.077 0.000 0.434 44 L N -0.091 121.139 121.223 0.011 0.000 2.030 44 L HA -0.461 3.880 4.340 0.001 0.000 0.222 44 L C 2.267 179.136 176.870 -0.001 0.000 1.082 44 L CA 3.834 58.676 54.840 0.003 0.000 0.785 44 L CB -0.168 41.892 42.059 0.001 0.000 0.895 44 L HN 0.153 8.347 8.230 0.016 0.045 0.439 45 S N -3.198 112.501 115.700 -0.002 0.000 2.384 45 S HA -0.147 4.320 4.470 -0.006 0.000 0.217 45 S C 2.185 176.784 174.600 -0.001 0.000 1.041 45 S CA 3.092 61.289 58.200 -0.005 0.000 0.948 45 S CB 0.280 63.473 63.200 -0.012 0.000 0.872 45 S HN -0.127 8.182 8.310 -0.002 0.000 0.512 46 T N 6.493 121.050 114.554 0.004 0.000 2.969 46 T HA -0.320 4.144 4.350 0.007 -0.110 0.271 46 T C 1.891 176.597 174.700 0.010 0.000 1.127 46 T CA 3.397 65.504 62.100 0.011 0.000 1.102 46 T CB -0.684 68.201 68.868 0.028 0.000 0.855 46 T HN -0.083 8.159 8.240 0.003 0.000 0.536 47 L N 2.205 123.431 121.223 0.005 0.000 2.011 47 L HA -0.491 3.848 4.340 -0.001 0.000 0.225 47 L C 2.040 178.908 176.870 -0.003 0.000 1.084 47 L CA 3.448 58.288 54.840 -0.001 0.000 0.791 47 L CB -0.335 41.722 42.059 -0.004 0.000 0.898 47 L HN 0.041 8.184 8.230 0.005 0.090 0.440 48 K N -3.089 117.310 120.400 -0.003 0.000 2.107 48 K HA -0.383 3.933 4.320 -0.006 0.000 0.211 48 K C 1.306 177.904 176.600 -0.003 0.000 1.049 48 K CA 2.958 59.242 56.287 -0.004 0.000 0.927 48 K CB -0.288 32.210 32.500 -0.004 0.000 0.714 48 K HN -0.291 7.960 8.250 -0.002 -0.003 0.452 49 A N -3.734 119.087 122.820 0.001 0.000 2.147 49 A HA 0.127 4.447 4.320 0.002 0.000 0.211 49 A C 0.214 177.802 177.584 0.006 0.000 1.160 49 A CA -0.297 51.743 52.037 0.004 0.000 0.781 49 A CB 0.532 19.538 19.000 0.010 0.000 0.842 49 A HN -0.540 7.514 8.150 0.003 0.098 0.475 50 C N 0.126 119.428 119.300 0.004 0.000 2.437 50 C HA -0.404 4.065 4.460 0.014 0.000 0.399 50 C C -1.366 173.618 174.990 -0.010 0.000 1.478 50 C CA 2.819 61.838 59.018 0.002 0.000 1.538 50 C CB 0.579 28.315 27.740 -0.006 0.000 2.506 50 C HN -0.308 7.794 8.230 0.004 0.130 0.603 51 K N 6.152 126.549 120.400 -0.005 0.000 3.118 51 K HA 0.076 4.365 4.320 -0.052 0.000 0.239 51 K C -1.697 174.892 176.600 -0.017 0.000 2.173 51 K CA 0.925 57.200 56.287 -0.019 0.000 1.423 51 K CB 1.676 34.176 32.500 0.001 0.000 2.463 51 K HN -0.289 7.968 8.250 0.012 0.000 0.515 52 H N 3.662 122.687 119.070 -0.075 0.000 2.652 52 H HA 0.224 4.859 4.556 -0.136 -0.160 0.233 52 H C -1.233 174.068 175.328 -0.046 0.000 1.762 52 H CA -0.787 55.215 56.048 -0.077 0.000 1.285 52 H CB -0.982 28.757 29.762 -0.039 0.000 1.668 52 H HN -0.010 8.241 8.280 0.133 0.109 0.550 53 L N 6.087 127.214 121.223 -0.160 0.000 2.433 53 L HA 0.006 4.317 4.340 -0.049 0.000 0.284 53 L C -2.868 173.879 176.870 -0.205 0.000 1.120 53 L CA -0.196 54.568 54.840 -0.127 0.000 0.879 53 L CB 0.389 42.388 42.059 -0.100 0.000 1.232 53 L HN -0.152 7.918 8.230 -0.165 0.061 0.454 54 A N 7.495 130.227 122.820 -0.147 0.000 2.258 54 A HA 0.726 5.160 4.320 -0.162 -0.212 0.316 54 A C -2.067 175.486 177.584 -0.052 0.000 1.279 54 A CA -1.866 50.098 52.037 -0.121 0.000 0.876 54 A CB 1.818 20.786 19.000 -0.055 0.000 1.170 54 A HN 0.608 8.726 8.150 -0.053 0.000 0.520 55 L N 3.433 124.623 121.223 -0.055 0.000 2.422 55 L HA 0.447 4.746 4.340 -0.068 0.000 0.263 55 L C -0.431 176.404 176.870 -0.058 0.000 1.110 55 L CA -1.842 52.959 54.840 -0.065 0.000 1.065 55 L CB 1.940 43.948 42.059 -0.085 0.000 1.701 55 L HN 0.208 8.405 8.230 -0.055 0.000 0.548 56 S N -3.050 112.567 115.700 -0.139 0.000 3.324 56 S HA 0.037 4.445 4.470 -0.103 0.000 0.229 56 S C -1.035 173.414 174.600 -0.251 0.000 1.043 56 S CA 0.498 58.573 58.200 -0.208 0.000 1.107 56 S CB 1.607 64.588 63.200 -0.365 0.000 1.057 56 S HN 0.245 8.460 8.310 -0.158 0.000 0.418 57 T N 4.833 119.212 114.554 -0.290 0.000 3.103 57 T HA 0.407 4.827 4.350 -0.173 -0.174 0.352 57 T C -2.296 172.315 174.700 -0.148 0.000 1.048 57 T CA -1.254 60.716 62.100 -0.217 0.000 1.175 57 T CB 0.285 69.002 68.868 -0.251 0.000 1.029 57 T HN 0.010 7.958 8.240 -0.321 0.100 0.498 58 N N 6.515 125.153 118.700 -0.103 0.000 2.509 58 N HA 0.519 5.407 4.740 -0.076 -0.194 0.280 58 N C -2.564 172.918 175.510 -0.047 0.000 1.306 58 N CA -1.900 51.105 53.050 -0.075 0.000 0.782 58 N CB 3.775 42.216 38.487 -0.078 0.000 1.493 58 N HN 0.266 8.591 8.380 -0.092 0.000 0.498 59 N N -1.557 117.122 118.700 -0.035 0.000 2.329 59 N HA 0.329 5.205 4.740 -0.012 -0.143 0.282 59 N C -1.613 173.889 175.510 -0.013 0.000 1.198 59 N CA -0.344 52.694 53.050 -0.019 0.000 0.790 59 N CB 4.272 42.749 38.487 -0.016 0.000 1.579 59 N HN 0.058 8.414 8.380 -0.039 0.000 0.475 60 I N 0.524 121.090 120.570 -0.006 0.000 2.503 60 I HA 0.153 4.321 4.170 -0.003 0.000 0.282 60 I C -1.858 174.260 176.117 0.001 0.000 1.059 60 I CA -0.433 60.865 61.300 -0.003 0.000 1.081 60 I CB 1.633 39.630 38.000 -0.006 0.000 1.210 60 I HN 0.501 8.709 8.210 -0.002 0.000 0.450 61 E N 8.449 128.651 120.200 0.003 0.000 2.132 61 E HA -0.010 4.343 4.350 0.005 0.000 0.193 61 E C -0.518 176.085 176.600 0.004 0.000 0.951 61 E CA 1.091 57.493 56.400 0.004 0.000 0.843 61 E CB 1.809 31.512 29.700 0.005 0.000 0.807 61 E HN 0.403 8.764 8.360 0.003 0.000 0.467 62 K N -2.993 117.410 120.400 0.005 0.000 2.468 62 K HA 0.297 4.803 4.320 0.004 -0.183 0.252 62 K C -1.592 175.012 176.600 0.006 0.000 0.932 62 K CA -1.574 54.716 56.287 0.005 0.000 0.794 62 K CB 3.196 35.700 32.500 0.006 0.000 1.241 62 K HN -0.431 7.822 8.250 0.006 0.000 0.428 63 I N 6.514 127.086 120.570 0.004 0.000 2.641 63 I HA 0.298 4.634 4.170 0.007 -0.162 0.275 63 I C -1.191 174.927 176.117 0.002 0.000 1.129 63 I CA -1.973 59.330 61.300 0.004 0.000 1.094 63 I CB -0.511 37.489 38.000 0.000 0.000 1.232 63 I HN 0.172 8.383 8.210 0.002 0.000 0.503 64 S N 8.523 124.226 115.700 0.004 0.000 2.406 64 S HA -0.186 4.285 4.470 0.001 0.000 0.228 64 S C 0.790 175.391 174.600 0.001 0.000 1.020 64 S CA 2.276 60.477 58.200 0.002 0.000 0.965 64 S CB 0.215 63.417 63.200 0.003 0.000 0.798 64 S HN -0.147 8.167 8.310 0.007 0.000 0.488 65 S N 2.890 118.591 115.700 0.003 0.000 4.085 65 S HA 0.026 4.496 4.470 0.000 0.000 0.189 65 S C 0.302 174.900 174.600 -0.002 0.000 1.392 65 S CA 0.107 58.308 58.200 0.002 0.000 0.972 65 S CB -1.519 61.685 63.200 0.007 0.000 1.482 65 S HN 0.107 8.421 8.310 0.006 0.000 0.446 66 L N -0.075 121.145 121.223 -0.005 0.000 2.044 66 L HA -0.019 4.314 4.340 -0.010 0.000 0.205 66 L C 1.302 178.166 176.870 -0.010 0.000 1.075 66 L CA 3.514 58.349 54.840 -0.009 0.000 0.747 66 L CB -1.101 40.952 42.059 -0.009 0.000 0.903 66 L HN -0.462 7.705 8.230 -0.004 0.061 0.435 67 S N -1.103 114.592 115.700 -0.009 0.000 2.442 67 S HA -0.200 4.263 4.470 -0.011 0.000 0.236 67 S C 1.897 176.491 174.600 -0.009 0.000 1.007 67 S CA 2.314 60.509 58.200 -0.009 0.000 0.965 67 S CB -1.209 61.986 63.200 -0.008 0.000 0.773 67 S HN 0.027 8.333 8.310 -0.007 0.000 0.504 68 G N 0.849 109.645 108.800 -0.006 0.000 2.395 68 G HA2 -0.085 3.872 3.960 -0.004 0.000 0.214 68 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.214 68 G C 1.036 175.932 174.900 -0.007 0.000 1.177 68 G CA 0.812 45.909 45.100 -0.004 0.000 0.794 68 G HN -0.293 7.828 8.290 -0.005 0.166 0.532 69 M N 1.128 120.722 119.600 -0.010 0.000 2.267 69 M HA -0.272 4.198 4.480 -0.016 0.000 0.263 69 M C 1.725 178.010 176.300 -0.024 0.000 1.063 69 M CA 0.558 55.848 55.300 -0.017 0.000 1.090 69 M CB -1.087 31.501 32.600 -0.019 0.000 1.392 69 M HN -0.066 8.046 8.290 -0.008 0.174 0.422 70 E N -1.766 118.421 120.200 -0.021 0.000 2.483 70 E HA -0.259 4.074 4.350 -0.027 0.000 0.205 70 E C -0.184 176.400 176.600 -0.027 0.000 1.075 70 E CA 1.565 57.951 56.400 -0.024 0.000 0.889 70 E CB -0.768 28.921 29.700 -0.019 0.000 0.816 70 E HN -0.419 7.802 8.360 -0.017 0.128 0.567 71 N N -5.693 112.990 118.700 -0.027 0.000 2.210 71 N HA -0.076 4.646 4.740 -0.030 0.000 0.203 71 N C -0.241 175.245 175.510 -0.040 0.000 1.175 71 N CA 0.106 53.139 53.050 -0.029 0.000 0.894 71 N CB 0.962 39.437 38.487 -0.021 0.000 1.041 71 N HN -0.968 7.303 8.380 -0.025 0.095 0.506 72 L N -0.654 120.540 121.223 -0.048 0.000 2.506 72 L HA -0.241 4.060 4.340 -0.064 0.000 0.281 72 L C -0.539 176.276 176.870 -0.093 0.000 1.228 72 L CA 1.544 56.343 54.840 -0.069 0.000 0.850 72 L CB 0.501 42.517 42.059 -0.072 0.000 1.110 72 L HN -0.340 7.865 8.230 -0.042 0.000 0.496 73 R N 1.747 122.171 120.500 -0.126 0.000 3.372 73 R HA 0.143 4.394 4.340 -0.147 0.000 0.150 73 R C 0.033 176.173 176.300 -0.267 0.000 0.739 73 R CA 0.573 56.577 56.100 -0.161 0.000 1.041 73 R CB 2.645 32.870 30.300 -0.126 0.000 1.530 73 R HN -0.281 7.911 8.270 -0.129 0.000 0.534 74 I N 1.090 121.477 120.570 -0.304 0.000 2.282 74 I HA 0.171 4.042 4.170 -0.730 -0.138 0.290 74 I C -1.669 174.170 176.117 -0.464 0.000 1.090 74 I CA -0.432 60.556 61.300 -0.521 0.000 1.231 74 I CB -0.319 37.378 38.000 -0.504 0.000 1.434 74 I HN -0.024 7.973 8.210 -0.211 0.087 0.487 75 L N 8.540 129.488 121.223 -0.459 0.000 2.268 75 L HA 0.305 4.607 4.340 -0.253 -0.115 0.289 75 L C -1.615 175.093 176.870 -0.270 0.000 1.064 75 L CA -1.022 53.639 54.840 -0.298 0.000 0.824 75 L CB 1.242 43.182 42.059 -0.198 0.000 1.202 75 L HN 0.304 8.218 8.230 -0.526 0.000 0.433 76 S N 6.473 122.039 115.700 -0.224 0.000 2.912 76 S HA 0.361 5.051 4.470 0.195 -0.103 0.184 76 S C -0.674 173.928 174.600 0.002 0.000 1.390 76 S CA -0.308 57.874 58.200 -0.030 0.000 1.088 76 S CB -0.621 62.494 63.200 -0.141 0.000 1.284 76 S HN 0.712 8.749 8.310 -0.279 0.106 0.502 77 L N 2.645 123.885 121.223 0.030 0.000 2.682 77 L HA 0.023 4.354 4.340 -0.014 0.000 0.209 77 L C -0.469 176.436 176.870 0.058 0.000 1.195 77 L CA 0.488 55.340 54.840 0.021 0.000 0.869 77 L CB 1.121 43.190 42.059 0.017 0.000 1.599 77 L HN -0.244 7.968 8.230 0.046 0.046 0.518 78 G N -3.453 105.373 108.800 0.043 0.000 4.120 78 G HA2 0.058 4.070 3.960 0.087 0.000 0.195 78 G HA3 0.058 4.031 3.960 0.021 0.000 0.195 78 G C -1.833 173.107 174.900 0.065 0.000 1.420 78 G CA 0.480 45.612 45.100 0.053 0.000 0.981 78 G HN 0.174 8.480 8.290 0.026 0.000 0.496 79 R N 3.915 124.413 120.500 -0.004 0.000 2.502 79 R HA 0.774 5.336 4.340 0.074 -0.177 0.300 79 R C -2.496 173.789 176.300 -0.026 0.000 0.984 79 R CA -1.481 54.601 56.100 -0.031 0.000 0.882 79 R CB 2.522 32.718 30.300 -0.172 0.000 1.180 79 R HN -0.032 8.099 8.270 -0.049 0.110 0.444 80 N N 2.673 121.400 118.700 0.045 0.000 3.020 80 N HA 0.787 5.680 4.740 -0.017 -0.163 0.248 80 N C -2.947 172.595 175.510 0.053 0.000 1.480 80 N CA -0.417 52.646 53.050 0.021 0.000 0.874 80 N CB 3.681 42.170 38.487 0.004 0.000 1.433 80 N HN 0.560 9.026 8.380 0.144 0.000 0.530 81 L N -1.659 119.578 121.223 0.024 0.000 2.362 81 L HA 0.394 4.763 4.340 0.049 0.000 0.275 81 L C -1.410 175.470 176.870 0.017 0.000 0.998 81 L CA -0.510 54.348 54.840 0.029 0.000 0.820 81 L CB 2.907 44.979 42.059 0.021 0.000 1.270 81 L HN 0.047 8.278 8.230 0.003 0.000 0.415 82 I N 0.482 121.064 120.570 0.021 0.000 2.545 82 I HA 0.370 4.544 4.170 0.007 0.000 0.292 82 I C -1.084 175.041 176.117 0.013 0.000 1.040 82 I CA -0.693 60.614 61.300 0.012 0.000 1.068 82 I CB 2.828 40.833 38.000 0.009 0.000 1.251 82 I HN 0.359 8.587 8.210 0.030 0.000 0.424 83 K N 6.024 126.429 120.400 0.009 0.000 2.625 83 K HA 0.167 4.495 4.320 0.013 0.000 0.202 83 K C -0.740 175.864 176.600 0.007 0.000 1.412 83 K CA 0.018 56.312 56.287 0.010 0.000 0.989 83 K CB 2.258 34.764 32.500 0.010 0.000 1.682 83 K HN 0.252 8.505 8.250 0.006 0.000 0.496 84 K N -0.046 120.357 120.400 0.005 0.000 2.270 84 K HA 0.118 4.440 4.320 0.003 0.000 0.255 84 K C -1.083 175.517 176.600 -0.000 0.000 0.936 84 K CA -1.342 54.947 56.287 0.003 0.000 0.809 84 K CB 1.795 34.297 32.500 0.003 0.000 1.131 84 K HN -0.146 8.107 8.250 0.004 0.000 0.427 85 I N 6.514 127.083 120.570 -0.001 0.000 2.389 85 I HA 0.012 4.178 4.170 -0.006 0.000 0.295 85 I C -0.685 175.429 176.117 -0.005 0.000 1.117 85 I CA 0.026 61.323 61.300 -0.005 0.000 1.317 85 I CB -1.209 36.787 38.000 -0.006 0.000 1.431 85 I HN 0.503 8.713 8.210 -0.000 0.000 0.521 86 E N 6.985 127.182 120.200 -0.005 0.000 2.702 86 E HA 0.200 4.547 4.350 -0.005 0.000 0.225 86 E C -1.273 175.323 176.600 -0.007 0.000 0.942 86 E CA 0.001 56.398 56.400 -0.005 0.000 1.210 86 E CB 1.270 30.968 29.700 -0.002 0.000 1.143 86 E HN 0.371 8.728 8.360 -0.006 0.000 0.544 87 N N -4.197 114.497 118.700 -0.010 0.000 1.850 87 N HA 0.016 4.748 4.740 -0.013 0.000 0.230 87 N C 0.022 175.521 175.510 -0.018 0.000 1.419 87 N CA 1.053 54.095 53.050 -0.013 0.000 0.762 87 N CB 0.167 38.647 38.487 -0.012 0.000 1.047 87 N HN -0.154 8.220 8.380 -0.010 0.000 0.503 88 L N -0.574 120.638 121.223 -0.018 0.000 2.083 88 L HA -0.322 4.002 4.340 -0.026 0.000 0.209 88 L C 1.172 178.027 176.870 -0.026 0.000 1.083 88 L CA 3.742 58.568 54.840 -0.023 0.000 0.752 88 L CB -1.022 41.026 42.059 -0.020 0.000 0.899 88 L HN 0.005 8.226 8.230 -0.015 0.000 0.433 89 D N -1.206 119.181 120.400 -0.022 0.000 2.117 89 D HA -0.312 4.313 4.640 -0.025 0.000 0.197 89 D C 1.807 178.092 176.300 -0.025 0.000 0.987 89 D CA 3.541 57.528 54.000 -0.023 0.000 0.829 89 D CB -1.110 39.679 40.800 -0.018 0.000 0.961 89 D HN 0.074 8.433 8.370 -0.018 0.000 0.460 90 A N -0.291 122.515 122.820 -0.024 0.000 1.841 90 A HA -0.103 4.324 4.320 -0.024 -0.121 0.214 90 A C 2.374 179.938 177.584 -0.032 0.000 1.195 90 A CA 2.956 54.978 52.037 -0.025 0.000 0.611 90 A CB -0.301 18.686 19.000 -0.021 0.000 0.835 90 A HN -0.248 7.805 8.150 -0.021 0.085 0.443 91 V N -3.391 116.502 119.914 -0.035 0.000 2.332 91 V HA -0.472 3.618 4.120 -0.049 0.000 0.248 91 V C 1.729 177.791 176.094 -0.053 0.000 1.055 91 V CA 3.241 65.513 62.300 -0.047 0.000 1.038 91 V CB -0.488 31.305 31.823 -0.050 0.000 0.651 91 V HN -0.120 8.051 8.190 -0.031 0.000 0.450 92 A N -1.065 121.727 122.820 -0.047 0.000 1.933 92 A HA -0.382 3.904 4.320 -0.057 0.000 0.218 92 A C 0.936 178.492 177.584 -0.047 0.000 1.175 92 A CA 2.970 54.978 52.037 -0.049 0.000 0.628 92 A CB -0.733 18.242 19.000 -0.041 0.000 0.814 92 A HN 0.139 8.153 8.150 -0.040 0.112 0.444 93 D N -3.411 116.965 120.400 -0.040 0.000 2.097 93 D HA -0.192 4.427 4.640 -0.035 0.000 0.197 93 D C 1.609 177.885 176.300 -0.041 0.000 0.984 93 D CA 2.705 56.683 54.000 -0.036 0.000 0.826 93 D CB 0.339 41.121 40.800 -0.030 0.000 0.973 93 D HN -0.336 7.920 8.370 -0.037 0.092 0.460 94 T N -2.198 112.329 114.554 -0.045 0.000 3.065 94 T HA 0.045 4.369 4.350 -0.044 0.000 0.252 94 T C 0.757 175.418 174.700 -0.065 0.000 1.099 94 T CA 0.382 62.452 62.100 -0.049 0.000 1.063 94 T CB 0.544 69.386 68.868 -0.044 0.000 0.948 94 T HN -0.395 7.818 8.240 -0.044 0.000 0.506 95 L N -0.219 120.959 121.223 -0.075 0.000 2.468 95 L HA -0.176 4.225 4.340 -0.117 -0.131 0.253 95 L C 0.089 176.896 176.870 -0.105 0.000 1.237 95 L CA 1.622 56.400 54.840 -0.103 0.000 0.823 95 L CB 0.520 42.514 42.059 -0.108 0.000 1.124 95 L HN -0.079 8.066 8.230 -0.066 0.045 0.504 96 E N -2.233 117.883 120.200 -0.141 0.000 2.895 96 E HA 0.097 4.385 4.350 -0.103 0.000 0.254 96 E C -1.292 175.197 176.600 -0.185 0.000 1.139 96 E CA 0.694 57.015 56.400 -0.133 0.000 1.832 96 E CB 3.237 32.871 29.700 -0.110 0.000 2.683 96 E HN -0.109 8.143 8.360 -0.179 0.000 1.040 97 E N 1.777 121.799 120.200 -0.296 0.000 2.261 97 E HA 0.314 4.560 4.350 -0.354 -0.109 0.239 97 E C -1.243 175.011 176.600 -0.576 0.000 0.991 97 E CA -1.462 54.644 56.400 -0.491 0.000 0.847 97 E CB 0.359 29.616 29.700 -0.739 0.000 1.223 97 E HN -0.266 7.914 8.360 -0.301 0.000 0.446 98 L N 4.062 125.091 121.223 -0.324 0.000 2.395 98 L HA 0.064 4.276 4.340 -0.213 0.000 0.268 98 L C -1.482 175.364 176.870 -0.040 0.000 1.223 98 L CA -0.490 54.236 54.840 -0.191 0.000 1.093 98 L CB -0.530 41.463 42.059 -0.110 0.000 1.349 98 L HN 0.414 8.487 8.230 -0.261 0.000 0.427 99 W N 3.812 125.022 121.300 -0.150 0.000 2.360 99 W HA 0.184 4.834 4.660 -0.017 0.000 0.344 99 W C -1.293 175.222 176.519 -0.007 0.000 1.025 99 W CA -2.536 54.777 57.345 -0.055 0.000 1.480 99 W CB -1.356 28.095 29.460 -0.015 0.000 1.350 99 W HN 0.675 8.734 8.180 -0.202 0.000 0.382 100 I N -2.368 118.330 120.570 0.213 0.000 2.908 100 I HA 0.547 4.795 4.170 0.129 0.000 0.319 100 I C -0.284 175.910 176.117 0.129 0.000 1.471 100 I CA -2.199 59.180 61.300 0.132 0.000 0.809 100 I CB -0.854 37.188 38.000 0.070 0.000 2.186 100 I HN 0.097 8.444 8.210 0.228 0.000 0.607 101 S N 4.507 120.294 115.700 0.145 0.000 2.457 101 S HA -0.495 4.032 4.470 0.096 0.000 0.269 101 S C -0.065 174.607 174.600 0.119 0.000 1.139 101 S CA 3.015 61.287 58.200 0.120 0.000 1.176 101 S CB 0.024 63.294 63.200 0.117 0.000 1.088 101 S HN 0.208 8.619 8.310 0.169 0.000 0.443 102 Y N 2.148 122.461 120.300 0.023 0.000 2.338 102 Y HA 0.619 5.387 4.550 0.015 -0.209 0.328 102 Y C -2.501 173.404 175.900 0.008 0.000 0.965 102 Y CA -2.066 56.042 58.100 0.013 0.000 1.208 102 Y CB 2.377 40.840 38.460 0.005 0.000 1.132 102 Y HN -0.205 8.118 8.280 0.237 0.099 0.469 103 N N 5.419 124.189 118.700 0.117 0.000 2.500 103 N HA 0.447 5.479 4.740 0.168 -0.191 0.291 103 N C -1.328 174.219 175.510 0.061 0.000 1.092 103 N CA -0.795 52.321 53.050 0.109 0.000 0.890 103 N CB 3.243 41.764 38.487 0.056 0.000 1.466 103 N HN 0.499 8.829 8.380 -0.083 0.000 0.507 104 Q N 3.780 123.640 119.800 0.099 0.000 2.288 104 Q HA 0.455 4.824 4.340 0.050 0.000 0.258 104 Q C -0.968 175.055 176.000 0.039 0.000 0.957 104 Q CA 0.361 56.205 55.803 0.069 0.000 0.919 104 Q CB 0.974 29.768 28.738 0.093 0.000 1.185 104 Q HN 0.360 8.713 8.270 0.137 0.000 0.408 105 I N -0.796 119.789 120.570 0.025 0.000 3.279 105 I HA 0.436 4.760 4.170 0.017 -0.144 0.315 105 I C -0.984 175.143 176.117 0.018 0.000 1.187 105 I CA -1.763 59.547 61.300 0.017 0.000 0.953 105 I CB 3.747 41.751 38.000 0.008 0.000 1.279 105 I HN 0.036 8.260 8.210 0.023 0.000 0.465 106 A N -0.650 122.179 122.820 0.014 0.000 2.604 106 A HA 0.088 4.420 4.320 0.019 0.000 0.157 106 A C -0.512 177.078 177.584 0.011 0.000 1.680 106 A CA 0.340 52.387 52.037 0.016 0.000 1.227 106 A CB 1.131 20.142 19.000 0.019 0.000 1.493 106 A HN 0.259 8.415 8.150 0.009 0.000 0.453 107 S N 1.325 117.029 115.700 0.006 0.000 2.528 107 S HA 0.118 4.591 4.470 0.004 0.000 0.277 107 S C 1.313 175.911 174.600 -0.003 0.000 1.297 107 S CA -0.546 57.656 58.200 0.002 0.000 1.052 107 S CB 0.594 63.794 63.200 -0.001 0.000 0.917 107 S HN -0.331 7.982 8.310 0.005 0.000 0.492 108 L N 6.385 127.607 121.223 -0.002 0.000 2.017 108 L HA -0.244 4.090 4.340 -0.009 0.000 0.208 108 L C 2.148 179.010 176.870 -0.013 0.000 1.073 108 L CA 3.243 58.079 54.840 -0.007 0.000 0.745 108 L CB -1.075 40.982 42.059 -0.003 0.000 0.894 108 L HN 0.691 8.921 8.230 0.001 0.000 0.432 109 S N -1.072 114.622 115.700 -0.011 0.000 2.348 109 S HA -0.149 4.312 4.470 -0.016 0.000 0.221 109 S C 2.078 176.667 174.600 -0.017 0.000 1.033 109 S CA 3.028 61.219 58.200 -0.014 0.000 1.010 109 S CB -0.598 62.596 63.200 -0.011 0.000 0.891 109 S HN 0.114 8.419 8.310 -0.007 0.000 0.442 110 G N 1.006 109.797 108.800 -0.015 0.000 2.514 110 G HA2 -0.241 3.708 3.960 -0.018 0.000 0.217 110 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.217 110 G C 1.350 176.237 174.900 -0.022 0.000 1.198 110 G CA 2.175 47.265 45.100 -0.017 0.000 0.780 110 G HN -0.042 8.241 8.290 -0.011 0.000 0.565 111 I N -1.664 118.893 120.570 -0.021 0.000 2.208 111 I HA -0.494 3.660 4.170 -0.027 0.000 0.245 111 I C 1.607 177.703 176.117 -0.035 0.000 1.097 111 I CA 2.870 64.154 61.300 -0.027 0.000 1.363 111 I CB -0.624 37.361 38.000 -0.025 0.000 1.051 111 I HN 0.055 8.255 8.210 -0.016 0.000 0.413 112 E N 1.235 121.415 120.200 -0.033 0.000 2.049 112 E HA -0.497 3.826 4.350 -0.045 0.000 0.198 112 E C 2.351 178.928 176.600 -0.038 0.000 1.007 112 E CA 3.448 59.826 56.400 -0.037 0.000 0.809 112 E CB -0.148 29.533 29.700 -0.032 0.000 0.749 112 E HN -0.206 8.137 8.360 -0.028 0.000 0.450 113 K N -1.824 118.556 120.400 -0.033 0.000 1.991 113 K HA -0.231 4.068 4.320 -0.035 0.000 0.207 113 K C 2.720 179.296 176.600 -0.040 0.000 1.045 113 K CA 3.099 59.366 56.287 -0.035 0.000 0.937 113 K CB 0.174 32.656 32.500 -0.031 0.000 0.720 113 K HN -0.318 7.914 8.250 -0.029 0.000 0.438 114 L N -3.850 117.349 121.223 -0.039 0.000 2.187 114 L HA -0.200 4.110 4.340 -0.049 0.000 0.213 114 L C 1.531 178.373 176.870 -0.047 0.000 1.100 114 L CA 2.785 57.599 54.840 -0.044 0.000 0.765 114 L CB -0.572 41.464 42.059 -0.039 0.000 0.904 114 L HN -0.166 8.044 8.230 -0.035 0.000 0.437 115 V N -3.305 116.581 119.914 -0.045 0.000 2.500 115 V HA -0.258 3.834 4.120 -0.048 0.000 0.243 115 V C 1.002 177.064 176.094 -0.053 0.000 1.039 115 V CA 1.921 64.191 62.300 -0.050 0.000 1.053 115 V CB 0.177 31.968 31.823 -0.053 0.000 0.695 115 V HN 0.028 8.160 8.190 -0.043 0.032 0.463 116 N N -1.591 117.078 118.700 -0.051 0.000 2.247 116 N HA -0.303 4.406 4.740 -0.052 0.000 0.189 116 N C 0.951 176.433 175.510 -0.046 0.000 1.009 116 N CA 1.734 54.754 53.050 -0.049 0.000 0.872 116 N CB 0.329 38.790 38.487 -0.043 0.000 0.980 116 N HN -0.553 7.693 8.380 -0.049 0.104 0.436 117 L N -1.732 119.461 121.223 -0.049 0.000 2.436 117 L HA -0.326 3.984 4.340 -0.051 0.000 0.301 117 L C 0.929 177.769 176.870 -0.050 0.000 1.342 117 L CA 1.528 56.336 54.840 -0.053 0.000 0.821 117 L CB 0.515 42.536 42.059 -0.063 0.000 1.034 117 L HN -0.413 7.755 8.230 -0.049 0.032 0.621 118 R N -2.076 118.393 120.500 -0.053 0.000 2.052 118 R HA -0.012 4.495 4.340 -0.033 -0.187 0.224 118 R C 0.374 176.649 176.300 -0.043 0.000 1.165 118 R CA 1.489 57.563 56.100 -0.043 0.000 0.939 118 R CB 0.651 30.926 30.300 -0.042 0.000 0.834 118 R HN 0.187 8.421 8.270 -0.061 0.000 0.435 119 V N -1.614 118.257 119.914 -0.072 0.000 2.531 119 V HA 0.880 5.195 4.120 -0.042 -0.221 0.301 119 V C -2.636 173.358 176.094 -0.168 0.000 1.034 119 V CA -2.845 59.398 62.300 -0.094 0.000 0.865 119 V CB 2.550 34.321 31.823 -0.086 0.000 0.995 119 V HN -0.398 7.738 8.190 -0.091 0.000 0.424 120 L N 3.422 124.575 121.223 -0.115 0.000 2.436 120 L HA 0.786 5.195 4.340 -0.167 -0.169 0.268 120 L C -2.608 174.320 176.870 0.096 0.000 0.974 120 L CA -1.402 53.387 54.840 -0.085 0.000 0.826 120 L CB 3.013 45.045 42.059 -0.044 0.000 1.291 120 L HN 0.499 8.712 8.230 -0.030 0.000 0.406 121 Y N 1.825 122.170 120.300 0.076 0.000 2.334 121 Y HA 0.316 4.856 4.550 -0.015 0.000 0.336 121 Y C -1.426 174.482 175.900 0.013 0.000 0.960 121 Y CA -2.514 55.604 58.100 0.031 0.000 1.164 121 Y CB 1.464 39.948 38.460 0.041 0.000 1.155 121 Y HN 0.852 9.165 8.280 0.055 0.000 0.478 122 M N 4.289 123.958 119.600 0.116 0.000 1.956 122 M HA 0.438 4.944 4.480 0.044 0.000 0.256 122 M C -0.890 175.388 176.300 -0.037 0.000 0.869 122 M CA -0.836 54.480 55.300 0.026 0.000 0.886 122 M CB 1.748 34.343 32.600 -0.008 0.000 1.739 122 M HN 0.297 8.530 8.290 0.087 0.109 0.381 123 S N 3.012 118.693 115.700 -0.031 0.000 2.489 123 S HA -0.153 4.263 4.470 -0.090 0.000 0.228 123 S C -0.654 173.884 174.600 -0.103 0.000 0.995 123 S CA 1.611 59.770 58.200 -0.067 0.000 0.934 123 S CB 0.405 63.577 63.200 -0.045 0.000 0.771 123 S HN 0.270 8.589 8.310 0.015 0.000 0.522 124 N N 1.581 120.180 118.700 -0.169 0.000 2.478 124 N HA 0.199 4.856 4.740 -0.301 -0.097 0.291 124 N C -2.565 172.707 175.510 -0.398 0.000 1.090 124 N CA 0.245 53.072 53.050 -0.372 0.000 0.911 124 N CB 4.171 42.250 38.487 -0.680 0.000 1.546 124 N HN -0.058 8.227 8.380 -0.134 0.015 0.500 125 N N 0.726 119.243 118.700 -0.305 0.000 2.961 125 N HA 0.317 5.052 4.740 -0.218 -0.125 0.245 125 N C -2.309 173.132 175.510 -0.115 0.000 1.404 125 N CA -0.208 52.731 53.050 -0.185 0.000 0.880 125 N CB 3.578 42.013 38.487 -0.087 0.000 1.461 125 N HN 0.903 9.027 8.380 -0.247 0.108 0.510 126 K N -0.152 120.219 120.400 -0.048 0.000 2.483 126 K HA 0.475 4.792 4.320 -0.005 0.000 0.256 126 K C -2.124 174.484 176.600 0.014 0.000 0.961 126 K CA -1.437 54.846 56.287 -0.006 0.000 0.873 126 K CB 1.013 33.523 32.500 0.017 0.000 1.107 126 K HN 0.078 8.309 8.250 -0.033 0.000 0.432 127 I N 2.188 122.776 120.570 0.030 0.000 2.743 127 I HA 0.206 4.398 4.170 0.037 0.000 0.292 127 I C -1.391 174.770 176.117 0.073 0.000 1.343 127 I CA -0.185 61.141 61.300 0.042 0.000 1.038 127 I CB 4.620 42.638 38.000 0.031 0.000 1.311 127 I HN 0.433 8.664 8.210 0.036 0.000 0.426 128 T N -0.631 113.973 114.554 0.084 0.000 3.131 128 T HA 0.065 4.507 4.350 0.153 0.000 0.283 128 T C -0.154 174.637 174.700 0.152 0.000 0.906 128 T CA 0.854 63.026 62.100 0.120 0.000 0.882 128 T CB 0.791 69.712 68.868 0.089 0.000 1.208 128 T HN 0.052 8.332 8.240 0.068 0.000 0.561 129 N N 3.547 122.317 118.700 0.117 0.000 3.243 129 N HA 0.009 4.827 4.740 0.130 0.000 0.310 129 N C 0.413 176.011 175.510 0.147 0.000 1.313 129 N CA -0.694 52.426 53.050 0.116 0.000 1.204 129 N CB -1.531 36.995 38.487 0.065 0.000 1.483 129 N HN 0.162 8.592 8.380 0.084 0.000 0.553 130 W N 3.444 124.753 121.300 0.015 0.000 2.305 130 W HA -0.393 4.274 4.660 0.012 0.000 0.308 130 W C 1.584 178.110 176.519 0.011 0.000 1.226 130 W CA 4.543 61.896 57.345 0.014 0.000 1.253 130 W CB 0.114 29.584 29.460 0.018 0.000 1.146 130 W HN 0.157 8.471 8.180 0.374 0.091 0.507 131 G N -4.357 104.640 108.800 0.327 0.000 2.547 131 G HA2 -0.431 3.695 3.960 0.277 0.000 0.221 131 G HA3 -0.431 3.624 3.960 0.158 0.000 0.221 131 G C 0.220 175.188 174.900 0.113 0.000 1.140 131 G CA 2.106 47.336 45.100 0.216 0.000 0.760 131 G HN 0.416 8.880 8.290 0.314 0.014 0.583 132 E N 0.275 120.510 120.200 0.058 0.000 2.176 132 E HA 0.065 4.418 4.350 0.005 0.000 0.194 132 E C 2.252 178.818 176.600 -0.056 0.000 0.947 132 E CA 0.446 56.849 56.400 0.005 0.000 0.960 132 E CB 0.781 30.486 29.700 0.010 0.000 1.002 132 E HN -0.615 7.891 8.360 0.073 -0.102 0.479 133 I N 0.550 121.082 120.570 -0.062 0.000 2.182 133 I HA -0.614 3.500 4.170 -0.092 0.000 0.248 133 I C 1.697 177.672 176.117 -0.237 0.000 1.073 133 I CA 4.053 65.284 61.300 -0.115 0.000 1.335 133 I CB -0.539 37.416 38.000 -0.075 0.000 1.031 133 I HN -0.217 7.981 8.210 -0.020 0.000 0.420 134 D N -1.003 119.147 120.400 -0.416 0.000 2.149 134 D HA -0.276 3.901 4.640 -0.772 0.000 0.194 134 D C 1.215 177.248 176.300 -0.444 0.000 1.001 134 D CA 3.086 56.645 54.000 -0.735 0.000 0.849 134 D CB 0.156 40.050 40.800 -1.509 0.000 0.939 134 D HN -0.240 7.785 8.370 -0.344 0.139 0.449 135 K N -3.086 117.146 120.400 -0.281 0.000 2.216 135 K HA 0.016 4.231 4.320 -0.174 0.000 0.207 135 K C 2.079 178.603 176.600 -0.127 0.000 1.041 135 K CA 1.483 57.667 56.287 -0.171 0.000 0.966 135 K CB 0.945 33.380 32.500 -0.110 0.000 0.955 135 K HN -0.593 7.500 8.250 -0.243 0.011 0.468 136 L N 0.051 121.212 121.223 -0.104 0.000 2.151 136 L HA -0.322 3.984 4.340 -0.058 0.000 0.215 136 L C 0.878 177.703 176.870 -0.075 0.000 1.084 136 L CA 2.508 57.304 54.840 -0.073 0.000 0.764 136 L CB -0.064 41.962 42.059 -0.056 0.000 0.891 136 L HN -0.249 7.919 8.230 -0.104 0.000 0.435 137 A N -4.417 118.345 122.820 -0.098 0.000 2.263 137 A HA -0.185 4.093 4.320 -0.070 0.000 0.205 137 A C -1.065 176.470 177.584 -0.081 0.000 1.226 137 A CA -0.217 51.767 52.037 -0.088 0.000 0.810 137 A CB -0.350 18.587 19.000 -0.105 0.000 0.784 137 A HN -0.514 7.524 8.150 -0.128 0.035 0.486 138 A N -3.980 118.795 122.820 -0.076 0.000 2.846 138 A HA -0.389 3.895 4.320 -0.059 0.000 0.287 138 A C -0.514 177.024 177.584 -0.077 0.000 1.469 138 A CA 0.770 52.768 52.037 -0.065 0.000 0.757 138 A CB -2.245 16.724 19.000 -0.052 0.000 1.033 138 A HN -0.359 7.625 8.150 -0.077 0.120 0.516 139 L N -0.999 120.164 121.223 -0.101 0.000 1.955 139 L HA -0.303 3.959 4.340 -0.129 0.000 0.213 139 L C 0.999 177.813 176.870 -0.094 0.000 1.072 139 L CA 3.183 57.949 54.840 -0.122 0.000 0.755 139 L CB -1.028 40.930 42.059 -0.168 0.000 0.888 139 L HN -0.040 8.125 8.230 -0.107 0.000 0.432 140 D N -3.957 116.400 120.400 -0.072 0.000 2.172 140 D HA -0.307 4.307 4.640 -0.042 0.000 0.196 140 D C 1.761 178.038 176.300 -0.039 0.000 0.999 140 D CA 3.207 57.180 54.000 -0.046 0.000 0.856 140 D CB 0.188 40.969 40.800 -0.031 0.000 0.934 140 D HN 0.158 8.483 8.370 -0.075 0.000 0.453 141 K N -2.140 118.235 120.400 -0.042 0.000 1.992 141 K HA -0.118 4.186 4.320 -0.026 0.000 0.210 141 K C 0.836 177.413 176.600 -0.037 0.000 1.036 141 K CA 1.225 57.492 56.287 -0.034 0.000 0.946 141 K CB 0.371 32.851 32.500 -0.033 0.000 0.742 141 K HN -0.920 7.283 8.250 -0.048 0.018 0.442 142 L N -0.513 120.682 121.223 -0.046 0.000 2.870 142 L HA -0.436 3.880 4.340 -0.041 0.000 0.330 142 L C 0.285 177.132 176.870 -0.039 0.000 1.240 142 L CA 1.796 56.608 54.840 -0.047 0.000 0.847 142 L CB 0.490 42.512 42.059 -0.062 0.000 1.111 142 L HN -0.242 7.958 8.230 -0.051 0.000 0.542 143 E N 3.641 123.824 120.200 -0.028 0.000 2.048 143 E HA 0.023 4.364 4.350 -0.015 0.000 0.193 143 E C -0.178 176.417 176.600 -0.008 0.000 0.956 143 E CA 2.328 58.718 56.400 -0.016 0.000 0.846 143 E CB 1.225 30.920 29.700 -0.008 0.000 0.827 143 E HN 0.507 8.850 8.360 -0.029 0.000 0.466 144 D N -0.119 120.283 120.400 0.004 0.000 2.460 144 D HA 0.375 5.035 4.640 0.032 0.000 0.232 144 D C -1.587 174.731 176.300 0.030 0.000 1.079 144 D CA 0.281 54.302 54.000 0.035 0.000 0.864 144 D CB 0.785 41.634 40.800 0.081 0.000 1.048 144 D HN -0.284 8.084 8.370 -0.003 0.000 0.523 145 L N -0.005 121.219 121.223 0.003 0.000 2.342 145 L HA 0.721 5.064 4.340 0.005 0.000 0.276 145 L C -2.749 174.096 176.870 -0.042 0.000 0.997 145 L CA -1.355 53.472 54.840 -0.022 0.000 0.838 145 L CB 1.896 43.914 42.059 -0.068 0.000 1.224 145 L HN 0.504 8.725 8.230 -0.014 0.000 0.416 146 L N 5.211 126.437 121.223 0.005 0.000 2.294 146 L HA 0.443 4.690 4.340 -0.154 0.000 0.283 146 L C -2.406 174.400 176.870 -0.107 0.000 1.015 146 L CA -1.068 53.736 54.840 -0.060 0.000 0.831 146 L CB 2.032 44.101 42.059 0.016 0.000 1.217 146 L HN 0.641 8.916 8.230 0.075 0.000 0.420 147 L N 5.148 126.213 121.223 -0.263 0.000 2.625 147 L HA 0.553 4.969 4.340 -0.143 -0.162 0.255 147 L C -0.894 175.740 176.870 -0.394 0.000 1.493 147 L CA -1.237 53.450 54.840 -0.257 0.000 0.796 147 L CB -0.926 41.016 42.059 -0.194 0.000 1.064 147 L HN 0.577 8.894 8.230 -0.409 -0.331 0.516 148 A N -0.555 122.102 122.820 -0.272 0.000 1.930 148 A HA -0.077 4.024 4.320 -0.366 0.000 0.217 148 A C 0.093 177.634 177.584 -0.072 0.000 1.175 148 A CA 1.516 53.421 52.037 -0.220 0.000 0.627 148 A CB 0.914 19.830 19.000 -0.140 0.000 0.815 148 A HN -0.416 7.616 8.150 -0.197 0.000 0.443 149 G N -2.551 106.208 108.800 -0.067 0.000 2.502 149 G HA2 0.256 4.221 3.960 0.008 0.000 0.311 149 G HA3 0.256 4.260 3.960 -0.096 -0.101 0.311 149 G C -2.718 172.162 174.900 -0.034 0.000 1.270 149 G CA -0.907 44.169 45.100 -0.040 0.000 0.948 149 G HN -0.763 7.376 8.290 -0.103 0.090 0.487 150 N N 2.437 121.164 118.700 0.044 0.000 4.451 150 N HA 0.364 5.241 4.740 0.003 -0.135 0.195 150 N C -2.689 172.889 175.510 0.113 0.000 1.087 150 N CA -0.606 52.475 53.050 0.052 0.000 1.025 150 N CB -0.230 38.287 38.487 0.050 0.000 1.603 150 N HN 0.176 8.908 8.380 0.088 -0.299 0.631 151 P HA -0.314 4.160 4.420 0.090 0.000 0.217 151 P C 0.470 177.866 177.300 0.161 0.000 1.158 151 P CA 2.776 65.939 63.100 0.105 0.000 0.887 151 P CB 0.279 32.029 31.700 0.082 0.000 0.792 152 L N -3.490 117.854 121.223 0.202 0.000 1.956 152 L HA -0.419 4.168 4.340 0.412 0.000 0.216 152 L C 2.331 179.400 176.870 0.330 0.000 1.073 152 L CA 3.356 58.383 54.840 0.312 0.000 0.762 152 L CB -0.404 41.792 42.059 0.229 0.000 0.889 152 L HN -0.228 8.098 8.230 0.160 0.000 0.433 153 Y N -1.120 119.298 120.300 0.197 0.000 2.165 153 Y HA -0.501 4.227 4.550 0.297 0.000 0.286 153 Y C 2.234 178.264 175.900 0.217 0.000 1.155 153 Y CA 4.251 62.483 58.100 0.219 0.000 1.164 153 Y CB 0.002 38.543 38.460 0.135 0.000 0.978 153 Y HN -0.008 8.855 8.280 0.375 -0.358 0.513 154 N N -1.969 116.866 118.700 0.225 0.000 2.223 154 N HA -0.376 4.451 4.740 0.145 0.000 0.185 154 N C 2.091 177.652 175.510 0.086 0.000 1.016 154 N CA 3.920 57.055 53.050 0.141 0.000 0.863 154 N CB -0.206 38.351 38.487 0.115 0.000 0.983 154 N HN 0.173 8.691 8.380 0.252 0.013 0.429 155 D N -0.393 120.068 120.400 0.100 0.000 2.103 155 D HA -0.164 4.476 4.640 0.001 0.000 0.199 155 D C 1.200 177.521 176.300 0.035 0.000 0.978 155 D CA 2.852 56.874 54.000 0.036 0.000 0.829 155 D CB -0.192 40.614 40.800 0.009 0.000 0.981 155 D HN -0.228 8.096 8.370 0.154 0.138 0.464 156 Y N -0.271 119.996 120.300 -0.055 0.000 2.081 156 Y HA -0.347 4.102 4.550 -0.169 0.000 0.280 156 Y C -0.562 175.233 175.900 -0.174 0.000 1.163 156 Y CA 2.235 60.254 58.100 -0.135 0.000 1.135 156 Y CB 1.135 39.494 38.460 -0.168 0.000 0.970 156 Y HN -0.534 7.897 8.280 0.251 0.000 0.498 157 K N -3.840 116.564 120.400 0.006 0.000 0.944 157 K HA -0.109 4.356 4.320 -0.001 -0.145 1.059 157 K C -0.705 175.898 176.600 0.006 0.000 0.518 157 K CA -0.023 56.243 56.287 -0.034 0.000 0.759 157 K CB -0.915 31.523 32.500 -0.103 0.000 3.533 157 K HN -0.287 7.980 8.250 0.028 0.000 0.104 158 E N 4.100 124.352 120.200 0.087 0.000 2.476 158 E HA -0.345 4.220 4.350 0.358 0.000 0.206 158 E C -0.278 176.434 176.600 0.187 0.000 1.079 158 E CA 2.084 58.623 56.400 0.231 0.000 0.891 158 E CB -0.645 29.220 29.700 0.275 0.000 0.821 158 E HN 0.317 8.734 8.360 0.094 0.000 0.572 159 N N -3.418 115.342 118.700 0.100 0.000 2.193 159 N HA 0.032 4.832 4.740 0.101 0.000 0.236 159 N C -1.356 174.175 175.510 0.035 0.000 1.347 159 N CA 0.364 53.459 53.050 0.075 0.000 0.812 159 N CB 1.488 40.009 38.487 0.056 0.000 1.297 159 N HN -0.383 7.924 8.380 0.058 0.107 0.499 160 N N 0.399 119.103 118.700 0.008 0.000 2.209 160 N HA 0.081 4.807 4.740 -0.023 0.000 0.249 160 N C -0.701 174.759 175.510 -0.083 0.000 1.146 160 N CA 1.425 54.450 53.050 -0.041 0.000 0.800 160 N CB 1.548 39.992 38.487 -0.072 0.000 1.521 160 N HN -0.016 8.375 8.380 0.017 0.000 0.498 161 A N -1.473 121.266 122.820 -0.135 0.000 2.348 161 A HA 0.349 4.508 4.320 -0.268 0.000 0.224 161 A C 0.722 178.329 177.584 0.037 0.000 1.227 161 A CA 0.450 52.331 52.037 -0.260 0.000 0.885 161 A CB 0.641 19.143 19.000 -0.829 0.000 0.933 161 A HN -0.116 7.979 8.150 -0.091 0.000 0.506 162 T N 3.010 117.664 114.554 0.168 0.000 2.698 162 T HA -0.315 4.373 4.350 0.564 0.000 0.260 162 T C 1.857 176.730 174.700 0.289 0.000 1.044 162 T CA 4.186 66.496 62.100 0.350 0.000 1.149 162 T CB -0.351 68.708 68.868 0.317 0.000 0.864 162 T HN -0.188 8.046 8.240 0.102 0.068 0.419 163 S N 0.035 115.836 115.700 0.168 0.000 2.400 163 S HA -0.376 4.434 4.470 0.133 -0.261 0.232 163 S C 1.678 176.356 174.600 0.130 0.000 1.025 163 S CA 3.419 61.695 58.200 0.126 0.000 0.993 163 S CB -0.455 62.789 63.200 0.074 0.000 0.808 163 S HN 0.307 8.695 8.310 0.131 0.000 0.478 164 E N 1.614 121.881 120.200 0.111 0.000 2.047 164 E HA -0.299 4.093 4.350 0.070 0.000 0.191 164 E C 2.187 178.915 176.600 0.213 0.000 0.987 164 E CA 3.043 59.498 56.400 0.092 0.000 0.799 164 E CB -0.368 29.317 29.700 -0.025 0.000 0.752 164 E HN -0.128 8.180 8.360 0.086 0.104 0.449 165 Y N 0.206 120.628 120.300 0.204 0.000 2.053 165 Y HA -0.345 4.339 4.550 0.223 0.000 0.277 165 Y C 2.512 178.489 175.900 0.128 0.000 1.159 165 Y CA 3.057 61.281 58.100 0.207 0.000 1.125 165 Y CB -0.381 38.220 38.460 0.235 0.000 0.969 165 Y HN -0.137 8.190 8.280 0.393 0.189 0.492 166 R N -1.209 119.457 120.500 0.277 0.000 2.066 166 R HA -0.327 4.090 4.340 0.128 0.000 0.232 166 R C 2.492 178.865 176.300 0.121 0.000 1.131 166 R CA 2.556 58.749 56.100 0.154 0.000 0.955 166 R CB -0.434 29.936 30.300 0.116 0.000 0.851 166 R HN -0.365 8.090 8.270 0.309 0.000 0.432 167 I N -1.114 119.526 120.570 0.116 0.000 2.194 167 I HA -0.469 3.802 4.170 0.068 -0.060 0.246 167 I C 2.515 178.684 176.117 0.087 0.000 1.093 167 I CA 4.245 65.596 61.300 0.084 0.000 1.355 167 I CB -0.179 37.863 38.000 0.070 0.000 1.046 167 I HN 0.160 8.448 8.210 0.130 0.000 0.413 168 E N -0.665 119.606 120.200 0.118 0.000 2.152 168 E HA -0.234 4.170 4.350 0.089 0.000 0.192 168 E C 2.520 179.183 176.600 0.105 0.000 0.983 168 E CA 2.916 59.387 56.400 0.118 0.000 0.818 168 E CB -0.338 29.461 29.700 0.165 0.000 0.758 168 E HN -0.284 8.155 8.360 0.152 0.013 0.467 169 V N 0.741 120.720 119.914 0.108 0.000 2.216 169 V HA -0.506 3.652 4.120 0.064 0.000 0.243 169 V C 1.799 177.923 176.094 0.051 0.000 1.044 169 V CA 4.411 66.753 62.300 0.070 0.000 0.995 169 V CB -0.498 31.356 31.823 0.053 0.000 0.633 169 V HN -0.136 8.024 8.190 0.135 0.111 0.446 170 V N -0.752 119.191 119.914 0.049 0.000 2.278 170 V HA -0.512 3.627 4.120 0.030 0.000 0.251 170 V C 1.154 177.269 176.094 0.035 0.000 1.062 170 V CA 3.529 65.851 62.300 0.037 0.000 1.038 170 V CB -0.075 31.769 31.823 0.036 0.000 0.646 170 V HN -0.147 8.076 8.190 0.056 0.000 0.447 171 K N -2.809 117.616 120.400 0.041 0.000 2.025 171 K HA -0.259 4.080 4.320 0.031 0.000 0.207 171 K C 1.635 178.256 176.600 0.035 0.000 1.049 171 K CA 2.458 58.767 56.287 0.037 0.000 0.933 171 K CB 0.052 32.577 32.500 0.040 0.000 0.714 171 K HN -0.445 7.835 8.250 0.049 0.000 0.438 172 R N -3.602 116.924 120.500 0.043 0.000 2.121 172 R HA 0.000 4.360 4.340 0.034 0.000 0.206 172 R C 0.183 176.503 176.300 0.034 0.000 1.094 172 R CA 0.816 56.940 56.100 0.040 0.000 1.055 172 R CB 1.623 31.953 30.300 0.050 0.000 0.964 172 R HN -0.370 7.816 8.270 0.052 0.115 0.473 173 L N 0.870 122.114 121.223 0.036 0.000 2.395 173 L HA 0.209 4.562 4.340 0.023 0.000 0.269 173 L C -1.065 175.815 176.870 0.016 0.000 1.133 173 L CA -1.721 53.134 54.840 0.025 0.000 0.812 173 L CB -0.462 41.611 42.059 0.022 0.000 1.125 173 L HN -0.436 7.722 8.230 0.044 0.099 0.452 174 P HA -0.079 4.346 4.420 0.009 0.000 0.207 174 P C 0.391 177.692 177.300 0.003 0.000 1.212 174 P CA 1.009 64.114 63.100 0.007 0.000 0.914 174 P CB 0.501 32.204 31.700 0.004 0.000 0.750 175 N N -1.410 117.289 118.700 -0.002 0.000 2.084 175 N HA -0.134 4.605 4.740 -0.003 0.000 0.188 175 N C 0.334 175.840 175.510 -0.007 0.000 1.078 175 N CA 0.428 53.475 53.050 -0.005 0.000 0.877 175 N CB -0.078 38.403 38.487 -0.011 0.000 1.051 175 N HN -0.063 8.315 8.380 -0.003 0.000 0.440 176 L N 1.692 122.906 121.223 -0.015 0.000 3.187 176 L HA -0.362 4.128 4.340 -0.022 -0.163 0.348 176 L C 0.095 176.959 176.870 -0.010 0.000 1.142 176 L CA 1.404 56.231 54.840 -0.020 0.000 0.826 176 L CB -0.160 41.877 42.059 -0.036 0.000 1.209 176 L HN -0.298 7.920 8.230 -0.020 0.000 0.589 177 K N 5.661 126.056 120.400 -0.007 0.000 2.286 177 K HA 0.097 4.421 4.320 0.006 0.000 0.203 177 K C 0.751 177.352 176.600 0.002 0.000 1.078 177 K CA 1.173 57.461 56.287 0.002 0.000 0.957 177 K CB 1.214 33.718 32.500 0.007 0.000 1.018 177 K HN -0.206 8.038 8.250 -0.010 0.000 0.484 178 K N 1.285 121.682 120.400 -0.004 0.000 2.533 178 K HA 0.233 4.552 4.320 -0.001 0.000 0.207 178 K C -2.032 174.549 176.600 -0.033 0.000 1.052 178 K CA -1.310 54.974 56.287 -0.005 0.000 1.030 178 K CB -0.126 32.383 32.500 0.014 0.000 1.522 178 K HN -0.122 8.125 8.250 -0.005 0.000 0.543 179 L N 5.304 126.499 121.223 -0.047 0.000 2.416 179 L HA -0.084 4.176 4.340 -0.135 0.000 0.243 179 L C -1.098 175.727 176.870 -0.075 0.000 1.373 179 L CA -0.483 54.294 54.840 -0.104 0.000 1.227 179 L CB -1.356 40.611 42.059 -0.154 0.000 1.428 179 L HN 0.235 8.450 8.230 -0.024 0.000 0.425 180 D N -0.191 120.144 120.400 -0.108 0.000 2.802 180 D HA -0.319 4.301 4.640 -0.236 -0.122 0.191 180 D C 0.427 176.662 176.300 -0.107 0.000 0.962 180 D CA 1.564 55.457 54.000 -0.178 0.000 1.004 180 D CB -0.528 40.091 40.800 -0.302 0.000 1.055 180 D HN 0.164 8.419 8.370 -0.098 0.057 0.451 181 G N -1.322 107.448 108.800 -0.049 0.000 4.861 181 G HA2 -0.600 3.345 3.960 -0.024 0.000 0.226 181 G HA3 -0.600 3.317 3.960 -0.071 0.000 0.226 181 G C 1.159 176.051 174.900 -0.014 0.000 1.350 181 G CA 1.641 46.717 45.100 -0.040 0.000 1.018 181 G HN 0.272 8.492 8.290 -0.033 0.050 0.712 182 M N 0.389 119.976 119.600 -0.022 0.000 2.153 182 M HA -0.331 4.148 4.480 -0.002 0.000 0.253 182 M C -1.015 175.323 176.300 0.064 0.000 1.081 182 M CA 2.756 58.065 55.300 0.015 0.000 1.076 182 M CB -3.072 29.540 32.600 0.021 0.000 1.350 182 M HN 0.168 8.368 8.290 -0.063 0.053 0.401 183 P HA -0.250 4.264 4.420 0.157 0.000 0.218 183 P C 1.491 178.840 177.300 0.081 0.000 1.147 183 P CA 2.613 65.789 63.100 0.127 0.000 0.827 183 P CB -0.533 31.259 31.700 0.153 0.000 0.778 184 V N -4.577 115.369 119.914 0.052 0.000 2.218 184 V HA -0.581 3.561 4.120 0.037 0.000 0.251 184 V C 0.928 177.043 176.094 0.035 0.000 1.057 184 V CA 3.540 65.861 62.300 0.035 0.000 1.022 184 V CB -1.218 30.616 31.823 0.017 0.000 0.645 184 V HN -0.208 7.969 8.190 0.043 0.039 0.451 185 D N -0.915 119.504 120.400 0.030 0.000 3.043 185 D HA -0.409 4.244 4.640 0.022 0.000 0.215 185 D C -0.086 176.226 176.300 0.020 0.000 1.165 185 D CA 2.114 56.130 54.000 0.027 0.000 0.953 185 D CB -0.987 39.836 40.800 0.038 0.000 1.115 185 D HN -0.249 8.137 8.370 0.027 0.000 0.392 186 V N -4.781 115.144 119.914 0.018 0.000 0.821 186 V HA -0.322 3.805 4.120 0.012 0.000 0.118 186 V C -0.119 175.985 176.094 0.016 0.000 2.758 186 V CA 1.739 64.047 62.300 0.014 0.000 3.700 186 V CB -0.332 31.498 31.823 0.010 0.000 1.179 186 V HN -0.342 7.755 8.190 0.019 0.104 1.167 187 D N -0.286 120.127 120.400 0.022 0.000 2.301 187 D HA 0.062 4.713 4.640 0.018 0.000 0.206 187 D C 1.070 177.386 176.300 0.026 0.000 0.979 187 D CA 1.773 55.786 54.000 0.022 0.000 0.874 187 D CB 0.749 41.564 40.800 0.024 0.000 0.968 187 D HN -0.255 8.056 8.370 0.026 0.074 0.510 188 E N -0.968 119.251 120.200 0.031 0.000 2.331 188 E HA -0.347 4.026 4.350 0.037 0.000 0.199 188 E C 0.831 177.447 176.600 0.025 0.000 1.008 188 E CA 2.616 59.036 56.400 0.034 0.000 0.843 188 E CB -0.425 29.298 29.700 0.037 0.000 0.761 188 E HN -0.397 7.983 8.360 0.033 0.000 0.507 189 R N -5.926 114.586 120.500 0.020 0.000 2.334 189 R HA 0.101 4.650 4.340 0.016 -0.199 0.216 189 R C 0.646 176.954 176.300 0.014 0.000 0.905 189 R CA -0.348 55.762 56.100 0.016 0.000 1.064 189 R CB -0.627 29.681 30.300 0.013 0.000 1.046 189 R HN -0.439 7.795 8.270 0.020 0.048 0.508 190 E N 0.720 120.929 120.200 0.015 0.000 2.756 190 E HA 0.063 4.420 4.350 0.012 0.000 0.192 190 E C 0.411 177.020 176.600 0.015 0.000 1.022 190 E CA 1.011 57.419 56.400 0.013 0.000 1.224 190 E CB 1.564 31.271 29.700 0.012 0.000 1.252 190 E HN 0.154 8.321 8.360 0.018 0.204 0.494 191 Q N 0.985 120.795 119.800 0.017 0.000 2.016 191 Q HA -0.247 4.101 4.340 0.015 0.000 0.200 191 Q C 2.258 178.271 176.000 0.021 0.000 0.978 191 Q CA 3.425 59.239 55.803 0.018 0.000 0.833 191 Q CB 0.156 28.905 28.738 0.019 0.000 0.895 191 Q HN 0.255 8.762 8.270 0.019 -0.227 0.427 192 A N -2.130 120.705 122.820 0.026 0.000 1.978 192 A HA -0.329 4.009 4.320 0.030 0.000 0.220 192 A C 2.015 179.613 177.584 0.022 0.000 1.170 192 A CA 3.192 55.245 52.037 0.028 0.000 0.636 192 A CB -0.697 18.324 19.000 0.034 0.000 0.810 192 A HN -0.454 7.713 8.150 0.027 0.000 0.448 193 N N -1.932 116.780 118.700 0.019 0.000 2.207 193 N HA -0.194 4.556 4.740 0.016 0.000 0.182 193 N C 2.120 177.638 175.510 0.014 0.000 1.020 193 N CA 2.921 55.980 53.050 0.016 0.000 0.858 193 N CB -0.440 38.055 38.487 0.014 0.000 0.991 193 N HN -0.123 8.139 8.380 0.019 0.130 0.427 194 V N 0.667 120.589 119.914 0.013 0.000 2.548 194 V HA -0.374 3.918 4.120 0.010 -0.166 0.249 194 V C 1.108 177.209 176.094 0.012 0.000 1.055 194 V CA 3.703 66.010 62.300 0.012 0.000 1.065 194 V CB -0.275 31.554 31.823 0.010 0.000 0.681 194 V HN -0.084 8.032 8.190 0.014 0.082 0.462 195 A N -1.660 121.169 122.820 0.015 0.000 1.929 195 A HA -0.152 4.177 4.320 0.015 0.000 0.216 195 A C 1.751 179.345 177.584 0.016 0.000 1.176 195 A CA 2.316 54.363 52.037 0.016 0.000 0.628 195 A CB -0.452 18.560 19.000 0.020 0.000 0.816 195 A HN -0.009 8.037 8.150 0.017 0.114 0.444 196 R N -2.469 118.042 120.500 0.017 0.000 2.073 196 R HA -0.207 4.143 4.340 0.017 0.000 0.234 196 R C 1.148 177.455 176.300 0.013 0.000 1.134 196 R CA 1.545 57.654 56.100 0.016 0.000 0.952 196 R CB 0.854 31.164 30.300 0.016 0.000 0.850 196 R HN -0.254 7.847 8.270 0.018 0.179 0.433 197 G N -5.113 103.694 108.800 0.012 0.000 4.275 197 G HA2 -0.026 3.940 3.960 0.010 0.000 0.226 197 G HA3 -0.026 3.940 3.960 0.009 0.000 0.226 197 G C -1.356 173.550 174.900 0.009 0.000 1.391 197 G CA -0.291 44.815 45.100 0.010 0.000 1.225 197 G HN -0.292 8.005 8.290 0.012 0.000 0.627 198 G N 0.000 108.806 108.800 0.009 0.000 5.446 198 G HA2 0.000 nan 3.960 nan 0.000 0.244 198 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 198 G CA 0.000 45.105 45.100 0.008 0.000 0.502 198 G HN 0.000 8.191 8.290 0.010 0.106 0.925