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 2zcg_1_B DATA FIRST_RESID 2 DATA SEQUENCE GFKVKLEKRR NAINTCLCIG LDPDEKDIEN FMKNEKENNY NNIKKNLKEK DATA SEQUENCE YINNVSIKKD ILLKAPDNII XXXKSEEFFY FFNHFCFYII NETNKYALTF DATA SEQUENCE KMNFAFYIPY GSVGIDVLKN VFDYLYELNI PTILDMKIND IGNTVKNYRK DATA SEQUENCE FIFEYLKSDS CTVNIYMGTN MLKDICYDEE KNKYYSAFVL VKTTNPDSAI DATA SEQUENCE FQKNLSLDNK QAYVIMAQEA LNMSSYLNLE QNNEFIGFVV GANSYDEMNY DATA SEQUENCE IRTYFPNCYI LSPGIGAXXX DLHKTLTNGY HKSYEKILIN IGRAITKNPY DATA SEQUENCE PQKAAQMYYD QINAILKQNM E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.984 3.960 0.039 0.000 0.244 2 G C 0.000 174.992 174.900 0.153 0.000 0.946 2 G CA 0.000 45.144 45.100 0.074 0.000 0.502 3 F N 2.530 122.455 119.950 -0.042 0.000 2.171 3 F HA -0.224 4.316 4.527 0.023 0.000 0.300 3 F C 0.800 176.645 175.800 0.075 0.000 1.090 3 F CA 1.432 59.422 58.000 -0.017 0.000 1.293 3 F CB 0.707 39.602 39.000 -0.174 0.000 1.013 3 F HN -0.274 8.533 8.300 0.219 -0.376 0.486 4 K N -0.981 119.472 120.400 0.089 0.000 2.001 4 K HA -0.438 3.906 4.320 0.040 0.000 0.214 4 K C 2.180 178.784 176.600 0.005 0.000 1.050 4 K CA 4.138 60.454 56.287 0.049 0.000 0.934 4 K CB -0.361 32.187 32.500 0.079 0.000 0.718 4 K HN -0.540 7.779 8.250 0.115 0.000 0.443 5 V N -0.737 119.190 119.914 0.021 0.000 2.255 5 V HA -0.494 3.624 4.120 -0.003 0.000 0.247 5 V C 2.069 178.164 176.094 0.001 0.000 1.051 5 V CA 4.408 66.712 62.300 0.007 0.000 1.018 5 V CB -0.085 31.744 31.823 0.011 0.000 0.641 5 V HN -0.162 8.049 8.190 0.035 0.000 0.445 6 K N -0.457 119.960 120.400 0.028 0.000 2.074 6 K HA -0.386 3.947 4.320 0.021 0.000 0.209 6 K C 2.716 179.313 176.600 -0.006 0.000 1.048 6 K CA 3.559 59.867 56.287 0.035 0.000 0.926 6 K CB -0.246 32.331 32.500 0.127 0.000 0.713 6 K HN -0.667 7.618 8.250 0.058 0.000 0.444 7 L N -1.179 119.998 121.223 -0.077 0.000 1.994 7 L HA -0.417 3.874 4.340 -0.080 0.000 0.208 7 L C 2.074 178.898 176.870 -0.076 0.000 1.071 7 L CA 3.304 58.077 54.840 -0.111 0.000 0.745 7 L CB -0.206 41.722 42.059 -0.217 0.000 0.892 7 L HN -0.133 8.028 8.230 -0.116 0.000 0.431 8 E N -1.163 118.995 120.200 -0.069 0.000 2.049 8 E HA -0.486 3.799 4.350 -0.108 0.000 0.198 8 E C 2.366 178.928 176.600 -0.064 0.000 1.007 8 E CA 3.545 59.899 56.400 -0.076 0.000 0.809 8 E CB -0.383 29.285 29.700 -0.054 0.000 0.749 8 E HN -0.068 8.256 8.360 -0.059 0.000 0.450 9 K N -1.601 118.776 120.400 -0.039 0.000 2.097 9 K HA -0.313 3.990 4.320 -0.028 0.000 0.205 9 K C 2.445 179.034 176.600 -0.018 0.000 1.050 9 K CA 2.904 59.175 56.287 -0.027 0.000 0.938 9 K CB 0.072 32.560 32.500 -0.019 0.000 0.718 9 K HN -0.193 8.037 8.250 -0.033 0.000 0.442 10 R N -1.486 119.007 120.500 -0.012 0.000 2.115 10 R HA -0.257 4.089 4.340 0.009 0.000 0.226 10 R C 2.037 178.350 176.300 0.021 0.000 1.100 10 R CA 2.890 58.996 56.100 0.009 0.000 0.980 10 R CB -0.103 30.212 30.300 0.025 0.000 0.875 10 R HN -0.413 7.849 8.270 -0.014 0.000 0.445 11 R N -0.707 119.786 120.500 -0.011 0.000 2.081 11 R HA -0.343 4.023 4.340 0.044 0.000 0.235 11 R C 2.258 178.555 176.300 -0.006 0.000 1.131 11 R CA 3.692 59.777 56.100 -0.025 0.000 0.960 11 R CB -0.365 29.826 30.300 -0.183 0.000 0.856 11 R HN -0.077 8.172 8.270 -0.036 0.000 0.436 12 N N -1.036 117.644 118.700 -0.034 0.000 2.244 12 N HA -0.193 4.548 4.740 0.001 0.000 0.183 12 N C 1.534 177.064 175.510 0.032 0.000 1.016 12 N CA 2.601 55.648 53.050 -0.005 0.000 0.866 12 N CB -0.288 38.185 38.487 -0.023 0.000 0.980 12 N HN -0.579 7.769 8.380 -0.052 0.000 0.430 13 A N -1.164 121.674 122.820 0.029 0.000 1.897 13 A HA -0.137 4.201 4.320 0.030 0.000 0.215 13 A C 1.275 178.899 177.584 0.067 0.000 1.181 13 A CA 2.138 54.197 52.037 0.036 0.000 0.620 13 A CB 0.229 19.240 19.000 0.019 0.000 0.821 13 A HN -0.428 7.629 8.150 0.019 0.104 0.443 14 I N -9.901 110.731 120.570 0.103 0.000 4.227 14 I HA 0.197 4.459 4.170 0.154 0.000 0.334 14 I C -0.735 175.540 176.117 0.264 0.000 1.341 14 I CA -0.456 60.947 61.300 0.172 0.000 1.123 14 I CB 1.623 39.720 38.000 0.162 0.000 1.097 14 I HN -0.667 7.602 8.210 0.099 0.000 0.399 15 N N -1.200 117.634 118.700 0.223 0.000 2.746 15 N HA -0.352 4.690 4.740 0.354 -0.090 0.250 15 N C -1.778 173.849 175.510 0.195 0.000 1.055 15 N CA 1.394 54.598 53.050 0.257 0.000 0.699 15 N CB -2.028 36.560 38.487 0.168 0.000 0.919 15 N HN -0.033 8.349 8.380 0.186 0.110 0.548 16 T N -4.350 110.396 114.554 0.320 0.000 2.792 16 T HA 0.314 4.659 4.350 -0.007 0.000 0.303 16 T C -1.838 173.056 174.700 0.323 0.000 1.310 16 T CA -2.063 60.148 62.100 0.185 0.000 1.007 16 T CB 2.087 71.034 68.868 0.133 0.000 1.335 16 T HN -0.611 7.842 8.240 0.354 0.000 0.504 17 C N 1.068 120.484 119.300 0.193 0.000 3.115 17 C HA 0.505 5.083 4.460 0.196 0.000 0.277 17 C C -0.927 174.118 174.990 0.091 0.000 1.460 17 C CA -3.062 56.066 59.018 0.183 0.000 1.789 17 C CB -1.064 26.807 27.740 0.219 0.000 2.674 17 C HN 0.506 8.778 8.230 0.070 0.000 0.582 18 L N 3.591 124.866 121.223 0.087 0.000 2.534 18 L HA 0.110 4.586 4.340 0.023 -0.123 0.271 18 L C -1.774 175.096 176.870 -0.001 0.000 1.178 18 L CA 0.309 55.181 54.840 0.052 0.000 0.907 18 L CB -0.050 42.081 42.059 0.121 0.000 1.164 18 L HN -0.570 7.726 8.230 0.110 0.000 0.482 19 C N 9.108 128.377 119.300 -0.051 0.000 2.281 19 C HA 0.481 5.022 4.460 -0.118 -0.153 0.325 19 C C -1.113 173.761 174.990 -0.193 0.000 1.282 19 C CA -2.818 56.137 59.018 -0.105 0.000 1.640 19 C CB 0.370 28.076 27.740 -0.057 0.000 2.288 19 C HN 0.382 8.476 8.230 -0.048 0.107 0.507 20 I N 9.228 129.565 120.570 -0.389 0.000 2.315 20 I HA 0.450 4.626 4.170 -0.271 -0.169 0.291 20 I C -0.069 175.894 176.117 -0.257 0.000 1.006 20 I CA -1.151 59.888 61.300 -0.434 0.000 1.265 20 I CB 1.627 39.158 38.000 -0.782 0.000 1.387 20 I HN 0.321 8.211 8.210 -0.533 0.000 0.475 21 G N 6.872 115.612 108.800 -0.100 0.000 2.370 21 G HA2 0.251 4.407 3.960 0.036 0.000 0.272 21 G HA3 0.251 4.201 3.960 -0.016 0.000 0.272 21 G C -1.719 173.222 174.900 0.069 0.000 1.208 21 G CA -0.659 44.442 45.100 0.002 0.000 0.856 21 G HN 0.309 8.403 8.290 -0.110 0.130 0.500 22 L N 5.917 127.232 121.223 0.154 0.000 2.408 22 L HA 0.349 4.765 4.340 0.127 0.000 0.257 22 L C -2.119 174.833 176.870 0.136 0.000 1.053 22 L CA -0.931 54.016 54.840 0.178 0.000 0.922 22 L CB 1.109 43.332 42.059 0.274 0.000 1.261 22 L HN 0.260 8.600 8.230 0.184 0.000 0.458 23 D N 6.042 126.363 120.400 -0.131 0.000 2.483 23 D HA 0.403 4.742 4.640 -0.501 0.000 0.281 23 D C -2.368 173.533 176.300 -0.665 0.000 1.174 23 D CA -2.899 50.694 54.000 -0.678 0.000 0.938 23 D CB 0.666 40.717 40.800 -1.248 0.000 1.002 23 D HN -0.037 8.252 8.370 -0.134 0.000 0.501 24 P HA 0.008 4.624 4.420 0.088 -0.143 0.282 24 P C -1.113 176.194 177.300 0.011 0.000 1.262 24 P CA -0.890 62.225 63.100 0.026 0.000 0.773 24 P CB 0.689 32.552 31.700 0.271 0.000 0.879 25 D N 3.233 123.657 120.400 0.041 0.000 2.388 25 D HA -0.008 4.814 4.640 0.304 0.000 0.254 25 D C 0.904 177.210 176.300 0.011 0.000 1.111 25 D CA -2.847 51.252 54.000 0.166 0.000 0.993 25 D CB 1.312 42.249 40.800 0.229 0.000 1.118 25 D HN 0.102 8.815 8.370 -0.011 -0.349 0.502 26 E N -0.505 119.755 120.200 0.100 0.000 2.160 26 E HA -0.456 3.925 4.350 0.052 0.000 0.195 26 E C 1.903 178.491 176.600 -0.019 0.000 0.991 26 E CA 3.990 60.438 56.400 0.081 0.000 0.810 26 E CB 0.120 29.928 29.700 0.180 0.000 0.742 26 E HN 0.464 8.915 8.360 0.152 0.000 0.466 27 K N -1.153 119.234 120.400 -0.022 0.000 2.155 27 K HA -0.245 4.050 4.320 -0.042 0.000 0.203 27 K C 1.991 178.516 176.600 -0.125 0.000 1.052 27 K CA 2.907 59.165 56.287 -0.049 0.000 0.948 27 K CB -0.320 32.169 32.500 -0.017 0.000 0.728 27 K HN -0.543 7.787 8.250 0.007 -0.076 0.448 28 D N -0.237 120.041 120.400 -0.203 0.000 2.117 28 D HA -0.232 4.213 4.640 -0.325 0.000 0.197 28 D C 2.317 178.251 176.300 -0.610 0.000 0.987 28 D CA 3.516 57.255 54.000 -0.434 0.000 0.829 28 D CB -0.378 40.077 40.800 -0.574 0.000 0.961 28 D HN -0.262 8.174 8.370 -0.163 -0.164 0.460 29 I N -0.452 119.817 120.570 -0.501 0.000 2.113 29 I HA -0.426 3.468 4.170 -0.460 0.000 0.238 29 I C 2.114 178.121 176.117 -0.184 0.000 1.070 29 I CA 1.873 62.931 61.300 -0.403 0.000 1.332 29 I CB -1.223 36.481 38.000 -0.493 0.000 1.044 29 I HN -0.617 7.346 8.210 -0.413 0.000 0.402 30 E N -0.018 120.101 120.200 -0.134 0.000 2.058 30 E HA -0.452 3.842 4.350 -0.093 0.000 0.194 30 E C 2.561 179.090 176.600 -0.118 0.000 0.997 30 E CA 3.660 60.003 56.400 -0.095 0.000 0.801 30 E CB -0.328 29.342 29.700 -0.051 0.000 0.746 30 E HN -0.245 8.040 8.360 -0.125 0.000 0.450 31 N N -0.643 117.992 118.700 -0.108 0.000 2.142 31 N HA -0.236 4.450 4.740 -0.091 0.000 0.186 31 N C 2.012 177.483 175.510 -0.065 0.000 1.023 31 N CA 2.729 55.727 53.050 -0.086 0.000 0.852 31 N CB -0.305 38.146 38.487 -0.061 0.000 0.998 31 N HN -0.477 7.830 8.380 -0.121 0.000 0.424 32 F N 2.501 122.331 119.950 -0.200 0.000 2.126 32 F HA -0.385 4.097 4.527 -0.076 0.000 0.299 32 F C 1.115 176.847 175.800 -0.112 0.000 1.096 32 F CA 3.550 61.484 58.000 -0.110 0.000 1.255 32 F CB 0.167 39.145 39.000 -0.038 0.000 0.997 32 F HN -0.051 8.249 8.300 -0.001 0.000 0.479 33 M N -0.464 119.037 119.600 -0.165 0.000 2.067 33 M HA -0.584 3.461 4.480 -0.725 0.000 0.260 33 M C 1.488 177.503 176.300 -0.476 0.000 1.069 33 M CA 4.324 59.284 55.300 -0.567 0.000 1.117 33 M CB -0.076 32.075 32.600 -0.748 0.000 1.334 33 M HN 0.029 8.287 8.290 -0.054 0.000 0.407 34 K N -1.492 118.720 120.400 -0.313 0.000 2.032 34 K HA -0.454 3.719 4.320 -0.245 0.000 0.209 34 K C 2.094 178.537 176.600 -0.262 0.000 1.048 34 K CA 3.837 59.977 56.287 -0.246 0.000 0.927 34 K CB -0.143 32.258 32.500 -0.165 0.000 0.712 34 K HN -0.159 7.936 8.250 -0.258 0.000 0.441 35 N N -2.966 115.576 118.700 -0.263 0.000 2.244 35 N HA -0.240 4.367 4.740 -0.221 0.000 0.183 35 N C 1.554 176.842 175.510 -0.371 0.000 1.016 35 N CA 3.006 55.896 53.050 -0.267 0.000 0.866 35 N CB 0.164 38.526 38.487 -0.208 0.000 0.980 35 N HN -0.260 7.975 8.380 -0.241 0.000 0.430 36 E N -1.259 118.641 120.200 -0.501 0.000 2.072 36 E HA -0.166 3.891 4.350 -0.488 0.000 0.191 36 E C 1.762 177.923 176.600 -0.731 0.000 0.985 36 E CA 2.217 58.299 56.400 -0.530 0.000 0.801 36 E CB 0.174 29.647 29.700 -0.378 0.000 0.750 36 E HN -0.273 7.755 8.360 -0.554 0.000 0.452 37 K N -0.528 119.514 120.400 -0.598 0.000 2.097 37 K HA -0.253 3.447 4.320 -1.032 0.000 0.206 37 K C 3.062 179.381 176.600 -0.468 0.000 1.049 37 K CA 3.145 59.064 56.287 -0.612 0.000 0.933 37 K CB 0.174 32.516 32.500 -0.265 0.000 0.717 37 K HN -0.287 7.691 8.250 -0.453 0.000 0.442 38 E N -3.241 116.756 120.200 -0.338 0.000 2.494 38 E HA -0.076 4.154 4.350 -0.200 0.000 0.193 38 E C 0.230 176.695 176.600 -0.225 0.000 1.074 38 E CA 1.260 57.520 56.400 -0.233 0.000 0.867 38 E CB -0.160 29.436 29.700 -0.173 0.000 0.924 38 E HN -0.429 7.735 8.360 -0.326 0.000 0.502 39 N N -1.648 116.871 118.700 -0.301 0.000 2.390 39 N HA 0.189 4.829 4.740 -0.167 0.000 0.259 39 N C -1.418 173.956 175.510 -0.226 0.000 1.395 39 N CA -0.172 52.743 53.050 -0.225 0.000 0.852 39 N CB 0.972 39.337 38.487 -0.203 0.000 1.371 39 N HN -0.660 7.300 8.380 -0.412 0.174 0.491 40 N N -0.439 118.082 118.700 -0.299 0.000 2.725 40 N HA -0.388 4.268 4.740 -0.139 0.000 0.249 40 N C -1.127 174.371 175.510 -0.019 0.000 1.103 40 N CA 1.256 54.216 53.050 -0.151 0.000 0.707 40 N CB -1.025 37.447 38.487 -0.024 0.000 1.043 40 N HN -0.060 8.099 8.380 -0.368 0.000 0.553 41 Y N -8.885 111.376 120.300 -0.064 0.000 3.389 41 Y HA -0.543 4.065 4.550 -0.115 -0.126 0.213 41 Y C -0.100 175.759 175.900 -0.068 0.000 1.272 41 Y CA 0.695 58.751 58.100 -0.074 0.000 1.444 41 Y CB -3.637 34.807 38.460 -0.027 0.000 1.445 41 Y HN 0.280 8.150 8.280 -0.629 0.033 0.583 42 N N -0.329 118.368 118.700 -0.005 0.000 2.104 42 N HA -0.502 4.262 4.740 0.040 0.000 0.190 42 N C 1.184 176.722 175.510 0.046 0.000 1.024 42 N CA 3.500 56.559 53.050 0.015 0.000 0.853 42 N CB 0.274 38.749 38.487 -0.020 0.000 1.008 42 N HN -0.284 8.048 8.380 -0.080 0.000 0.424 43 N N -0.604 118.105 118.700 0.016 0.000 2.300 43 N HA -0.134 4.703 4.740 0.161 0.000 0.179 43 N C 2.108 177.722 175.510 0.174 0.000 1.016 43 N CA 2.435 55.551 53.050 0.111 0.000 0.876 43 N CB 0.015 38.511 38.487 0.016 0.000 0.979 43 N HN -0.582 8.094 8.380 -0.062 -0.333 0.432 44 I N 1.473 122.104 120.570 0.103 0.000 2.252 44 I HA -0.454 3.719 4.170 0.006 0.000 0.245 44 I C 1.773 177.905 176.117 0.026 0.000 1.102 44 I CA 4.205 65.496 61.300 -0.015 0.000 1.385 44 I CB -0.243 37.642 38.000 -0.192 0.000 1.064 44 I HN 0.134 8.672 8.210 0.063 -0.291 0.414 45 K N -0.861 119.576 120.400 0.061 0.000 2.097 45 K HA -0.374 3.978 4.320 0.053 0.000 0.206 45 K C 2.292 178.942 176.600 0.084 0.000 1.049 45 K CA 3.434 59.761 56.287 0.067 0.000 0.933 45 K CB -0.320 32.221 32.500 0.070 0.000 0.717 45 K HN -0.249 8.047 8.250 0.076 0.000 0.442 46 K N -2.126 118.339 120.400 0.107 0.000 2.057 46 K HA -0.282 4.097 4.320 0.098 0.000 0.207 46 K C 2.870 179.548 176.600 0.131 0.000 1.049 46 K CA 2.844 59.202 56.287 0.120 0.000 0.931 46 K CB -0.268 32.322 32.500 0.150 0.000 0.714 46 K HN -0.696 7.622 8.250 0.113 0.000 0.440 47 N N 0.781 119.584 118.700 0.172 0.000 2.061 47 N HA -0.252 4.584 4.740 0.159 0.000 0.193 47 N C 2.415 178.007 175.510 0.137 0.000 1.030 47 N CA 2.662 55.824 53.050 0.186 0.000 0.856 47 N CB -0.288 38.401 38.487 0.338 0.000 1.023 47 N HN -0.132 8.363 8.380 0.191 0.000 0.424 48 L N -4.467 116.838 121.223 0.137 0.000 2.551 48 L HA -0.164 4.245 4.340 0.116 0.000 0.228 48 L C 0.629 177.538 176.870 0.065 0.000 1.153 48 L CA 1.242 56.146 54.840 0.107 0.000 0.851 48 L CB -0.548 41.570 42.059 0.099 0.000 0.959 48 L HN -0.540 7.769 8.230 0.133 0.000 0.451 49 K N -3.763 116.673 120.400 0.060 0.000 2.358 49 K HA 0.048 4.384 4.320 0.027 0.000 0.197 49 K C -0.007 176.606 176.600 0.021 0.000 1.025 49 K CA -0.409 55.900 56.287 0.036 0.000 1.104 49 K CB 0.381 32.905 32.500 0.040 0.000 0.855 49 K HN -0.719 7.412 8.250 0.073 0.162 0.531 50 E N 0.753 120.972 120.200 0.032 0.000 2.277 50 E HA 0.114 4.464 4.350 -0.001 0.000 0.274 50 E C 0.568 177.147 176.600 -0.035 0.000 1.022 50 E CA -0.858 55.553 56.400 0.018 0.000 0.853 50 E CB 0.944 30.695 29.700 0.085 0.000 1.086 50 E HN -0.839 7.498 8.360 0.049 0.052 0.397 51 K N 4.852 125.168 120.400 -0.140 0.000 2.032 51 K HA -0.288 3.885 4.320 -0.245 0.000 0.209 51 K C 1.413 177.818 176.600 -0.326 0.000 1.048 51 K CA 3.074 59.165 56.287 -0.326 0.000 0.927 51 K CB 0.057 32.186 32.500 -0.618 0.000 0.712 51 K HN 0.570 8.735 8.250 -0.140 0.000 0.441 52 Y N -5.823 114.446 120.300 -0.053 0.000 2.466 52 Y HA 0.049 4.574 4.550 -0.043 0.000 0.272 52 Y C 1.627 177.577 175.900 0.084 0.000 1.169 52 Y CA 0.179 58.247 58.100 -0.053 0.000 1.285 52 Y CB -0.279 38.020 38.460 -0.270 0.000 1.078 52 Y HN -0.229 8.024 8.280 -0.045 0.000 0.523 53 I N 1.630 122.317 120.570 0.195 0.000 2.454 53 I HA -0.471 3.643 4.170 -0.092 0.000 0.254 53 I C 0.680 176.841 176.117 0.073 0.000 1.156 53 I CA 2.558 63.868 61.300 0.018 0.000 1.433 53 I CB -0.174 37.786 38.000 -0.067 0.000 1.082 53 I HN -0.632 7.678 8.210 0.166 0.000 0.432 54 N N 0.266 119.005 118.700 0.065 0.000 2.571 54 N HA -0.173 4.603 4.740 0.060 0.000 0.189 54 N C 0.189 175.747 175.510 0.080 0.000 1.154 54 N CA 2.108 55.192 53.050 0.057 0.000 0.907 54 N CB -0.253 38.244 38.487 0.017 0.000 0.977 54 N HN -0.303 8.088 8.380 0.046 0.016 0.449 55 N N -1.740 117.034 118.700 0.124 0.000 2.177 55 N HA 0.180 4.986 4.740 0.108 0.000 0.218 55 N C -0.848 174.739 175.510 0.129 0.000 1.182 55 N CA -0.393 52.740 53.050 0.138 0.000 0.882 55 N CB 1.442 40.060 38.487 0.220 0.000 1.052 55 N HN -0.553 7.725 8.380 0.148 0.191 0.519 56 V N -3.970 116.030 119.914 0.142 0.000 2.881 56 V HA -0.037 4.170 4.120 0.146 0.000 0.303 56 V C -0.259 175.901 176.094 0.109 0.000 1.070 56 V CA -0.032 62.359 62.300 0.151 0.000 1.074 56 V CB 0.696 32.655 31.823 0.227 0.000 1.012 56 V HN -0.950 7.326 8.190 0.143 0.000 0.482 57 S N 2.899 118.650 115.700 0.084 0.000 2.395 57 S HA -0.046 4.451 4.470 0.045 0.000 0.225 57 S C 0.331 174.973 174.600 0.071 0.000 1.027 57 S CA 2.571 60.803 58.200 0.053 0.000 0.965 57 S CB 0.291 63.494 63.200 0.005 0.000 0.812 57 S HN 0.078 8.538 8.310 0.085 -0.099 0.482 58 I N 0.269 120.899 120.570 0.101 0.000 2.389 58 I HA 0.044 4.248 4.170 0.057 0.000 0.288 58 I C -1.215 174.974 176.117 0.119 0.000 0.999 58 I CA -0.481 60.872 61.300 0.088 0.000 1.129 58 I CB 1.146 39.200 38.000 0.090 0.000 1.288 58 I HN -0.751 7.762 8.210 0.124 -0.228 0.444 59 K N 2.775 123.204 120.400 0.048 0.000 3.077 59 K HA -0.456 3.883 4.320 0.032 0.000 0.264 59 K C 0.492 177.201 176.600 0.182 0.000 1.008 59 K CA 0.722 57.046 56.287 0.062 0.000 0.740 59 K CB -1.908 30.518 32.500 -0.123 0.000 1.273 59 K HN 0.623 8.887 8.250 0.023 0.000 0.477 60 K N -0.498 119.985 120.400 0.139 0.000 2.063 60 K HA -0.371 4.043 4.320 0.157 0.000 0.208 60 K C 0.813 177.494 176.600 0.135 0.000 1.048 60 K CA 3.270 59.640 56.287 0.138 0.000 0.928 60 K CB -0.150 32.413 32.500 0.105 0.000 0.713 60 K HN 0.350 8.665 8.250 0.109 0.000 0.442 61 D N -3.584 116.883 120.400 0.113 0.000 2.347 61 D HA -0.143 4.558 4.640 0.102 0.000 0.215 61 D C 1.446 177.824 176.300 0.131 0.000 0.976 61 D CA 2.551 56.613 54.000 0.103 0.000 0.884 61 D CB -0.638 40.204 40.800 0.070 0.000 0.915 61 D HN 0.271 8.699 8.370 0.098 0.000 0.526 62 I N -0.659 120.017 120.570 0.178 0.000 2.233 62 I HA -0.292 3.986 4.170 0.180 0.000 0.243 62 I C 1.947 178.282 176.117 0.362 0.000 1.093 62 I CA 2.043 63.491 61.300 0.246 0.000 1.380 62 I CB -0.288 37.909 38.000 0.328 0.000 1.067 62 I HN -0.686 7.499 8.210 0.178 0.133 0.413 63 L N -2.609 118.810 121.223 0.327 0.000 2.275 63 L HA -0.225 4.286 4.340 0.283 0.000 0.215 63 L C 1.292 178.362 176.870 0.334 0.000 1.119 63 L CA 2.178 57.164 54.840 0.243 0.000 0.790 63 L CB -0.191 41.851 42.059 -0.028 0.000 0.919 63 L HN -0.706 7.697 8.230 0.288 0.000 0.443 64 L N -5.347 116.021 121.223 0.241 0.000 2.567 64 L HA 0.036 4.493 4.340 0.196 0.000 0.225 64 L C 0.381 177.345 176.870 0.157 0.000 1.119 64 L CA -0.216 54.735 54.840 0.185 0.000 0.871 64 L CB -0.581 41.551 42.059 0.120 0.000 1.036 64 L HN -0.704 7.620 8.230 0.208 0.031 0.459 65 K N -0.219 120.282 120.400 0.169 0.000 2.187 65 K HA -0.120 4.223 4.320 0.038 0.000 0.247 65 K C -1.097 175.522 176.600 0.032 0.000 1.019 65 K CA 0.280 56.606 56.287 0.065 0.000 0.893 65 K CB 0.837 33.335 32.500 -0.003 0.000 1.025 65 K HN -0.884 7.381 8.250 0.204 0.107 0.500 66 A N 0.392 123.163 122.820 -0.081 0.000 2.301 66 A HA 0.397 4.639 4.320 -0.130 0.000 0.312 66 A C -1.463 175.926 177.584 -0.327 0.000 1.182 66 A CA -2.792 49.149 52.037 -0.161 0.000 0.826 66 A CB 0.217 19.142 19.000 -0.126 0.000 1.134 66 A HN 0.290 8.391 8.150 -0.081 0.000 0.501 67 P HA -0.383 3.608 4.420 -0.715 0.000 0.218 67 P C 0.299 177.401 177.300 -0.332 0.000 1.152 67 P CA 3.103 65.850 63.100 -0.589 0.000 0.857 67 P CB 0.122 31.186 31.700 -1.060 0.000 0.787 68 D N -4.578 115.666 120.400 -0.261 0.000 2.117 68 D HA -0.279 4.322 4.640 -0.065 0.000 0.197 68 D C 1.432 177.671 176.300 -0.102 0.000 0.987 68 D CA 2.842 56.773 54.000 -0.114 0.000 0.829 68 D CB -0.847 39.910 40.800 -0.071 0.000 0.961 68 D HN 0.119 8.289 8.370 -0.305 0.017 0.460 69 N N -1.940 116.682 118.700 -0.129 0.000 2.120 69 N HA -0.181 4.517 4.740 -0.070 0.000 0.188 69 N C 1.442 176.878 175.510 -0.123 0.000 1.024 69 N CA 2.171 55.160 53.050 -0.103 0.000 0.852 69 N CB 0.149 38.581 38.487 -0.092 0.000 1.003 69 N HN -0.478 7.813 8.380 -0.149 0.000 0.424 70 I N -1.226 119.210 120.570 -0.223 0.000 2.142 70 I HA -0.316 3.737 4.170 -0.194 0.000 0.240 70 I C 1.032 177.088 176.117 -0.101 0.000 1.078 70 I CA 2.098 63.248 61.300 -0.250 0.000 1.343 70 I CB -0.087 37.539 38.000 -0.623 0.000 1.046 70 I HN -0.528 7.425 8.210 -0.294 0.081 0.405 76 S N 1.646 117.401 115.700 0.091 0.000 2.399 76 S HA -0.207 4.323 4.470 0.100 0.000 0.231 76 S C 0.821 175.518 174.600 0.161 0.000 1.022 76 S CA 1.461 59.722 58.200 0.103 0.000 0.983 76 S CB -0.319 62.921 63.200 0.068 0.000 0.803 76 S HN -0.025 8.328 8.310 0.070 0.000 0.480 77 E N -0.414 119.890 120.200 0.173 0.000 2.479 77 E HA 0.111 4.640 4.350 0.298 0.000 0.193 77 E C 0.431 177.249 176.600 0.363 0.000 1.049 77 E CA -0.041 56.520 56.400 0.268 0.000 0.870 77 E CB -0.622 29.210 29.700 0.220 0.000 0.944 77 E HN 0.084 8.507 8.360 0.135 0.019 0.492 78 E N 0.879 121.266 120.200 0.313 0.000 2.051 78 E HA -0.308 4.247 4.350 0.341 0.000 0.192 78 E C 1.176 178.101 176.600 0.542 0.000 0.991 78 E CA 3.150 59.784 56.400 0.391 0.000 0.799 78 E CB -0.162 29.739 29.700 0.334 0.000 0.748 78 E HN -0.696 7.652 8.360 0.261 0.169 0.449 79 F N -1.055 119.086 119.950 0.319 0.000 2.075 79 F HA -0.364 4.327 4.527 0.274 0.000 0.297 79 F C 1.076 177.085 175.800 0.348 0.000 1.113 79 F CA 3.387 61.551 58.000 0.273 0.000 1.218 79 F CB -0.020 39.052 39.000 0.121 0.000 0.984 79 F HN -0.191 8.431 8.300 0.537 0.000 0.472 80 F N -0.973 119.174 119.950 0.328 0.000 2.087 80 F HA -0.558 4.080 4.527 0.185 0.000 0.299 80 F C 0.904 176.769 175.800 0.108 0.000 1.100 80 F CA 3.329 61.445 58.000 0.194 0.000 1.226 80 F CB -0.046 39.062 39.000 0.180 0.000 0.983 80 F HN -0.278 8.429 8.300 0.679 0.000 0.479 81 Y N -0.314 119.924 120.300 -0.103 0.000 2.145 81 Y HA -0.544 3.734 4.550 -0.453 0.000 0.286 81 Y C 1.419 177.166 175.900 -0.256 0.000 1.145 81 Y CA 4.337 62.274 58.100 -0.272 0.000 1.148 81 Y CB 0.262 38.635 38.460 -0.144 0.000 0.981 81 Y HN -0.241 8.193 8.280 0.418 0.097 0.507 82 F N -3.047 116.980 119.950 0.129 0.000 2.335 82 F HA -0.344 4.343 4.527 0.266 0.000 0.296 82 F C 1.960 177.779 175.800 0.032 0.000 1.091 82 F CA 3.658 61.759 58.000 0.168 0.000 1.399 82 F CB 0.072 39.211 39.000 0.233 0.000 1.067 82 F HN -0.529 7.995 8.300 0.373 0.000 0.520 83 F N 1.676 121.469 119.950 -0.262 0.000 2.046 83 F HA -0.677 3.661 4.527 -0.316 0.000 0.297 83 F C 0.973 176.559 175.800 -0.356 0.000 1.123 83 F CA 3.447 61.214 58.000 -0.389 0.000 1.199 83 F CB 0.542 39.175 39.000 -0.611 0.000 0.972 83 F HN -0.000 8.259 8.300 -0.067 0.000 0.474 84 N N -1.789 116.603 118.700 -0.513 0.000 2.120 84 N HA -0.419 3.776 4.740 -0.908 0.000 0.188 84 N C 2.196 177.158 175.510 -0.914 0.000 1.024 84 N CA 3.293 55.790 53.050 -0.922 0.000 0.852 84 N CB 0.118 37.832 38.487 -1.287 0.000 1.003 84 N HN -0.407 7.615 8.380 -0.596 0.000 0.424 85 H N -0.594 118.113 119.070 -0.604 0.000 2.457 85 H HA -0.183 4.146 4.556 -0.378 0.000 0.294 85 H C 2.196 177.295 175.328 -0.382 0.000 1.064 85 H CA 3.459 59.274 56.048 -0.387 0.000 1.330 85 H CB 0.141 29.736 29.762 -0.279 0.000 1.395 85 H HN -0.503 7.492 8.280 -0.475 0.000 0.541 86 F N 1.656 121.243 119.950 -0.604 0.000 2.113 86 F HA -0.326 3.190 4.527 -1.685 0.000 0.297 86 F C 1.206 176.818 175.800 -0.313 0.000 1.103 86 F CA 3.836 61.291 58.000 -0.909 0.000 1.248 86 F CB -0.308 38.301 39.000 -0.651 0.000 0.999 86 F HN -0.431 7.666 8.300 -0.156 0.110 0.475 87 C N -0.315 118.795 119.300 -0.317 0.000 2.393 87 C HA -0.492 3.752 4.460 -0.360 0.000 0.276 87 C C 2.285 177.126 174.990 -0.248 0.000 1.215 87 C CA 4.951 63.780 59.018 -0.315 0.000 1.743 87 C CB -2.122 25.486 27.740 -0.219 0.000 2.044 87 C HN -0.367 7.776 8.230 -0.145 0.000 0.464 88 F N -1.301 118.431 119.950 -0.363 0.000 2.171 88 F HA -0.295 3.961 4.527 -0.451 0.000 0.300 88 F C 1.782 177.474 175.800 -0.180 0.000 1.090 88 F CA 0.538 58.305 58.000 -0.389 0.000 1.293 88 F CB -1.455 37.230 39.000 -0.525 0.000 1.013 88 F HN -0.290 7.775 8.300 -0.392 0.000 0.486 89 Y N 1.688 121.938 120.300 -0.084 0.000 2.128 89 Y HA -0.368 4.307 4.550 0.049 -0.096 0.284 89 Y C 1.887 177.723 175.900 -0.107 0.000 1.154 89 Y CA 2.886 60.947 58.100 -0.065 0.000 1.149 89 Y CB -0.034 38.362 38.460 -0.107 0.000 0.976 89 Y HN -0.441 7.890 8.280 0.086 0.000 0.505 90 I N -1.195 119.046 120.570 -0.548 0.000 2.226 90 I HA -0.499 3.255 4.170 -0.693 0.000 0.245 90 I C 2.263 178.265 176.117 -0.192 0.000 1.100 90 I CA 3.116 64.101 61.300 -0.525 0.000 1.374 90 I CB -0.905 36.801 38.000 -0.489 0.000 1.057 90 I HN -0.453 7.440 8.210 -0.528 0.000 0.413 91 I N 0.094 120.570 120.570 -0.156 0.000 2.202 91 I HA -0.565 3.499 4.170 -0.177 0.000 0.242 91 I C 2.155 178.270 176.117 -0.003 0.000 1.091 91 I CA 4.408 65.623 61.300 -0.141 0.000 1.368 91 I CB -0.210 37.676 38.000 -0.190 0.000 1.058 91 I HN -0.214 7.892 8.210 -0.173 0.000 0.410 92 N N -0.786 117.936 118.700 0.037 0.000 2.120 92 N HA -0.340 4.443 4.740 0.071 0.000 0.188 92 N C 1.805 177.340 175.510 0.041 0.000 1.024 92 N CA 3.001 56.092 53.050 0.068 0.000 0.852 92 N CB -0.152 38.404 38.487 0.116 0.000 1.003 92 N HN -0.149 8.254 8.380 0.038 0.000 0.424 93 E N -2.898 117.298 120.200 -0.006 0.000 2.150 93 E HA -0.162 4.229 4.350 0.069 0.000 0.193 93 E C 1.392 178.047 176.600 0.092 0.000 0.985 93 E CA 2.323 58.733 56.400 0.017 0.000 0.814 93 E CB 0.443 30.067 29.700 -0.127 0.000 0.752 93 E HN -0.256 8.058 8.360 -0.076 0.000 0.466 94 T N -7.623 107.003 114.554 0.120 0.000 3.004 94 T HA 0.276 4.841 4.350 0.358 0.000 0.266 94 T C 0.964 175.808 174.700 0.241 0.000 0.986 94 T CA 0.258 62.508 62.100 0.251 0.000 0.902 94 T CB 0.675 69.677 68.868 0.223 0.000 1.118 94 T HN -0.502 7.799 8.240 0.102 0.000 0.522 95 N N 3.021 121.835 118.700 0.190 0.000 2.289 95 N HA -0.317 4.714 4.740 0.484 0.000 0.184 95 N C 1.696 177.218 175.510 0.019 0.000 1.016 95 N CA 3.178 56.368 53.050 0.234 0.000 0.872 95 N CB -0.498 38.076 38.487 0.144 0.000 0.973 95 N HN -0.227 8.234 8.380 0.134 0.000 0.433 96 K N -2.500 117.770 120.400 -0.217 0.000 2.439 96 K HA -0.142 4.037 4.320 -0.235 0.000 0.197 96 K C 0.315 176.596 176.600 -0.532 0.000 1.041 96 K CA 2.070 58.115 56.287 -0.404 0.000 0.970 96 K CB -1.063 31.105 32.500 -0.554 0.000 0.773 96 K HN -0.102 7.974 8.250 -0.254 0.022 0.479 97 Y N -3.682 116.525 120.300 -0.155 0.000 2.500 97 Y HA -0.055 4.216 4.550 -0.466 0.000 0.270 97 Y C -0.993 174.935 175.900 0.046 0.000 1.134 97 Y CA -0.026 57.954 58.100 -0.199 0.000 1.293 97 Y CB 0.683 39.033 38.460 -0.183 0.000 1.063 97 Y HN -0.687 7.395 8.280 -0.269 0.037 0.534 98 A N -1.103 121.780 122.820 0.105 0.000 2.260 98 A HA 0.201 4.652 4.320 0.009 -0.126 0.314 98 A C -0.880 176.741 177.584 0.061 0.000 1.257 98 A CA -1.583 50.456 52.037 0.004 0.000 0.871 98 A CB 1.427 20.251 19.000 -0.293 0.000 1.166 98 A HN -0.670 7.413 8.150 0.069 0.108 0.522 99 L N 3.532 124.802 121.223 0.078 0.000 2.141 99 L HA -0.139 4.262 4.340 0.102 0.000 0.209 99 L C -0.673 176.254 176.870 0.095 0.000 1.094 99 L CA 1.849 56.744 54.840 0.093 0.000 0.763 99 L CB 0.521 42.642 42.059 0.103 0.000 0.908 99 L HN 0.287 8.567 8.230 0.084 0.000 0.437 100 T N -6.184 108.401 114.554 0.052 0.000 2.840 100 T HA 0.182 4.814 4.350 0.196 -0.164 0.317 100 T C -2.193 172.490 174.700 -0.028 0.000 1.401 100 T CA -1.077 61.094 62.100 0.118 0.000 1.028 100 T CB 1.390 70.377 68.868 0.198 0.000 1.317 100 T HN -1.005 7.192 8.240 -0.027 0.027 0.495 101 F N 2.534 122.511 119.950 0.045 0.000 2.495 101 F HA 0.648 5.367 4.527 0.015 -0.183 0.327 101 F C -1.835 173.971 175.800 0.011 0.000 1.103 101 F CA -1.624 56.376 58.000 0.001 0.000 0.949 101 F CB 4.427 43.387 39.000 -0.067 0.000 1.142 101 F HN 0.269 8.761 8.300 0.320 0.000 0.457 102 K N 4.273 124.778 120.400 0.174 0.000 2.425 102 K HA 0.653 5.301 4.320 0.179 -0.220 0.259 102 K C -1.293 175.435 176.600 0.214 0.000 0.978 102 K CA -1.348 55.038 56.287 0.165 0.000 0.883 102 K CB 2.690 35.250 32.500 0.100 0.000 1.110 102 K HN 0.304 8.628 8.250 0.124 0.000 0.436 103 M N 6.962 126.717 119.600 0.258 0.000 2.113 103 M HA 0.258 5.131 4.480 0.377 -0.167 0.352 103 M C -1.110 175.447 176.300 0.428 0.000 1.170 103 M CA -1.922 53.592 55.300 0.357 0.000 1.053 103 M CB 0.748 33.528 32.600 0.300 0.000 1.601 103 M HN 0.156 8.599 8.290 0.255 0.000 0.459 104 N N 4.496 123.492 118.700 0.494 0.000 2.408 104 N HA 0.178 5.365 4.740 0.444 -0.181 0.257 104 N C 0.919 176.851 175.510 0.704 0.000 1.064 104 N CA -0.832 52.539 53.050 0.534 0.000 0.952 104 N CB 1.371 40.178 38.487 0.533 0.000 1.093 104 N HN -0.069 8.886 8.380 0.465 -0.296 0.490 105 F N 9.176 129.385 119.950 0.433 0.000 2.184 105 F HA -0.466 4.359 4.527 0.497 0.000 0.301 105 F C 0.424 176.459 175.800 0.391 0.000 1.076 105 F CA 3.589 61.838 58.000 0.415 0.000 1.295 105 F CB 0.428 39.568 39.000 0.233 0.000 1.026 105 F HN 0.034 8.702 8.300 0.614 0.000 0.494 106 A N -0.777 122.216 122.820 0.288 0.000 1.972 106 A HA -0.273 4.043 4.320 -0.007 0.000 0.219 106 A C 1.779 179.238 177.584 -0.209 0.000 1.169 106 A CA 2.633 54.663 52.037 -0.011 0.000 0.635 106 A CB -1.085 17.857 19.000 -0.096 0.000 0.810 106 A HN -0.122 8.548 8.150 0.389 -0.287 0.446 107 F N -5.074 114.869 119.950 -0.012 0.000 2.558 107 F HA -0.147 4.303 4.527 -0.128 0.000 0.298 107 F C 0.702 176.373 175.800 -0.215 0.000 1.119 107 F CA 2.645 60.557 58.000 -0.147 0.000 1.451 107 F CB 0.293 39.180 39.000 -0.188 0.000 1.091 107 F HN -0.752 7.778 8.300 0.418 0.020 0.563 108 Y N -5.077 115.324 120.300 0.167 0.000 2.478 108 Y HA -0.070 4.802 4.550 0.537 0.000 0.261 108 Y C 0.694 176.587 175.900 -0.012 0.000 1.127 108 Y CA 1.636 59.852 58.100 0.193 0.000 1.288 108 Y CB 0.615 39.114 38.460 0.066 0.000 1.084 108 Y HN -0.651 7.586 8.280 0.183 0.153 0.530 109 I N 0.859 121.325 120.570 -0.175 0.000 3.228 109 I HA 0.289 4.384 4.170 -0.126 0.000 0.279 109 I C -1.241 174.780 176.117 -0.161 0.000 1.221 109 I CA -1.740 59.438 61.300 -0.203 0.000 1.458 109 I CB -0.805 37.011 38.000 -0.307 0.000 1.105 109 I HN -0.664 7.394 8.210 -0.253 0.000 0.445 110 P HA -0.096 4.140 4.420 -0.306 0.000 0.237 110 P C -0.360 176.627 177.300 -0.522 0.000 1.178 110 P CA 1.925 64.731 63.100 -0.488 0.000 0.766 110 P CB -0.918 30.377 31.700 -0.675 0.000 0.876 111 Y N -2.633 117.688 120.300 0.034 0.000 2.507 111 Y HA 0.204 4.725 4.550 -0.049 0.000 0.254 111 Y C 0.784 176.712 175.900 0.046 0.000 1.171 111 Y CA -1.083 57.025 58.100 0.013 0.000 1.238 111 Y CB 0.042 38.528 38.460 0.043 0.000 1.148 111 Y HN -0.463 7.643 8.280 -0.210 0.049 0.525 112 G N -0.043 108.834 108.800 0.128 0.000 2.481 112 G HA2 -0.337 3.664 3.960 0.068 0.000 0.230 112 G HA3 -0.337 3.685 3.960 0.103 0.000 0.230 112 G C 0.573 175.563 174.900 0.150 0.000 1.210 112 G CA -0.041 45.125 45.100 0.110 0.000 0.936 112 G HN -0.560 7.712 8.290 0.060 0.054 0.583 113 S N 1.500 117.276 115.700 0.127 0.000 2.406 113 S HA -0.100 4.438 4.470 0.114 0.000 0.228 113 S C 1.828 176.537 174.600 0.182 0.000 1.020 113 S CA 2.127 60.401 58.200 0.124 0.000 0.965 113 S CB -0.505 62.739 63.200 0.072 0.000 0.798 113 S HN 0.323 8.696 8.310 0.105 0.000 0.488 114 V N 2.816 122.871 119.914 0.236 0.000 2.324 114 V HA -0.374 3.878 4.120 0.221 0.000 0.250 114 V C 1.139 177.476 176.094 0.405 0.000 1.060 114 V CA 2.987 65.478 62.300 0.318 0.000 1.042 114 V CB -0.410 31.659 31.823 0.410 0.000 0.650 114 V HN -0.017 8.312 8.190 0.232 0.000 0.450 115 G N -2.803 106.287 108.800 0.484 0.000 2.448 115 G HA2 -0.188 4.021 3.960 0.416 0.000 0.218 115 G HA3 -0.188 4.373 3.960 0.705 -0.178 0.218 115 G C 1.216 176.310 174.900 0.325 0.000 1.135 115 G CA 1.960 47.365 45.100 0.510 0.000 0.784 115 G HN -0.261 8.330 8.290 0.502 0.000 0.543 116 I N 1.761 122.491 120.570 0.266 0.000 2.546 116 I HA -0.264 4.061 4.170 0.258 0.000 0.255 116 I C 1.368 177.627 176.117 0.237 0.000 1.163 116 I CA 0.529 61.977 61.300 0.248 0.000 1.457 116 I CB -1.133 37.002 38.000 0.226 0.000 1.092 116 I HN -0.687 7.581 8.210 0.256 0.095 0.434 117 D N 1.061 121.590 120.400 0.216 0.000 2.117 117 D HA -0.190 4.576 4.640 0.209 0.000 0.198 117 D C 2.720 179.134 176.300 0.191 0.000 0.982 117 D CA 3.598 57.725 54.000 0.211 0.000 0.828 117 D CB -0.433 40.462 40.800 0.157 0.000 0.967 117 D HN -0.590 7.911 8.370 0.217 0.000 0.464 118 V N 1.036 121.012 119.914 0.104 0.000 2.287 118 V HA -0.448 3.681 4.120 -0.256 -0.162 0.248 118 V C 2.132 178.136 176.094 -0.149 0.000 1.053 118 V CA 4.064 66.238 62.300 -0.209 0.000 1.027 118 V CB -0.053 31.322 31.823 -0.746 0.000 0.646 118 V HN -0.717 7.553 8.190 0.135 0.000 0.447 119 L N -0.943 120.235 121.223 -0.076 0.000 2.043 119 L HA -0.435 3.694 4.340 -0.351 0.000 0.212 119 L C 1.531 178.433 176.870 0.054 0.000 1.075 119 L CA 3.584 58.327 54.840 -0.162 0.000 0.752 119 L CB -0.522 41.424 42.059 -0.188 0.000 0.891 119 L HN -0.366 7.869 8.230 0.008 0.000 0.432 120 K N -1.649 118.797 120.400 0.076 0.000 2.057 120 K HA -0.351 3.949 4.320 -0.033 0.000 0.206 120 K C 2.027 178.663 176.600 0.060 0.000 1.050 120 K CA 2.720 59.028 56.287 0.034 0.000 0.935 120 K CB -0.675 31.859 32.500 0.056 0.000 0.715 120 K HN -0.446 7.870 8.250 0.110 0.000 0.439 121 N N -0.495 118.247 118.700 0.071 0.000 2.166 121 N HA -0.229 4.603 4.740 0.152 0.000 0.186 121 N C 2.537 178.177 175.510 0.216 0.000 1.019 121 N CA 2.886 56.009 53.050 0.123 0.000 0.856 121 N CB -0.219 38.297 38.487 0.048 0.000 0.993 121 N HN -0.559 7.856 8.380 0.058 0.000 0.426 122 V N 0.941 120.914 119.914 0.098 0.000 2.295 122 V HA -0.580 3.687 4.120 0.245 0.000 0.246 122 V C 1.591 177.721 176.094 0.058 0.000 1.049 122 V CA 4.829 67.189 62.300 0.101 0.000 1.024 122 V CB 0.007 31.794 31.823 -0.059 0.000 0.648 122 V HN 0.074 8.267 8.190 0.005 0.000 0.447 123 F N -0.465 119.463 119.950 -0.037 0.000 2.146 123 F HA -0.391 4.115 4.527 -0.035 0.000 0.298 123 F C 1.745 177.540 175.800 -0.010 0.000 1.096 123 F CA 4.653 62.621 58.000 -0.053 0.000 1.275 123 F CB -0.346 38.568 39.000 -0.143 0.000 1.008 123 F HN -0.234 8.265 8.300 0.331 0.000 0.480 124 D N -1.376 119.107 120.400 0.139 0.000 2.178 124 D HA -0.310 4.341 4.640 0.018 0.000 0.201 124 D C 2.333 178.691 176.300 0.098 0.000 0.980 124 D CA 3.434 57.477 54.000 0.072 0.000 0.842 124 D CB -0.301 40.525 40.800 0.043 0.000 0.948 124 D HN 0.096 8.551 8.370 0.142 0.000 0.472 125 Y N 1.322 121.604 120.300 -0.030 0.000 2.206 125 Y HA -0.278 4.169 4.550 -0.172 0.000 0.292 125 Y C 1.468 177.245 175.900 -0.205 0.000 1.123 125 Y CA 3.591 61.605 58.100 -0.143 0.000 1.142 125 Y CB 0.353 38.715 38.460 -0.164 0.000 1.006 125 Y HN -0.575 7.743 8.280 0.271 0.125 0.518 126 L N -1.762 119.386 121.223 -0.125 0.000 2.191 126 L HA -0.495 3.659 4.340 -0.311 0.000 0.212 126 L C 1.594 178.355 176.870 -0.181 0.000 1.103 126 L CA 3.185 57.883 54.840 -0.237 0.000 0.769 126 L CB -0.465 41.426 42.059 -0.280 0.000 0.908 126 L HN -0.154 8.055 8.230 -0.035 0.000 0.438 127 Y N -0.314 119.862 120.300 -0.206 0.000 2.163 127 Y HA -0.475 4.000 4.550 -0.126 0.000 0.288 127 Y C 2.501 178.233 175.900 -0.280 0.000 1.136 127 Y CA 3.709 61.708 58.100 -0.168 0.000 1.147 127 Y CB 0.210 38.611 38.460 -0.098 0.000 0.987 127 Y HN -0.005 8.319 8.280 0.073 0.000 0.509 128 E N -1.229 118.813 120.200 -0.263 0.000 2.077 128 E HA -0.279 3.767 4.350 -0.508 0.000 0.193 128 E C 1.552 177.654 176.600 -0.829 0.000 0.989 128 E CA 2.672 58.657 56.400 -0.692 0.000 0.800 128 E CB -0.227 28.730 29.700 -1.239 0.000 0.746 128 E HN -0.563 7.672 8.360 -0.207 0.000 0.452 129 L N -4.754 116.060 121.223 -0.681 0.000 2.465 129 L HA -0.152 3.927 4.340 -0.435 0.000 0.224 129 L C -0.353 176.336 176.870 -0.301 0.000 1.145 129 L CA 0.333 54.897 54.840 -0.460 0.000 0.834 129 L CB 0.032 41.841 42.059 -0.417 0.000 0.944 129 L HN -0.583 7.258 8.230 -0.648 0.000 0.451 130 N N -4.663 113.840 118.700 -0.329 0.000 2.776 130 N HA -0.398 4.202 4.740 -0.362 -0.078 0.250 130 N C -1.006 174.414 175.510 -0.152 0.000 1.112 130 N CA 1.205 54.091 53.050 -0.273 0.000 0.733 130 N CB -0.883 37.470 38.487 -0.223 0.000 1.097 130 N HN -0.554 7.411 8.380 -0.387 0.184 0.558 131 I N -0.336 120.162 120.570 -0.121 0.000 2.342 131 I HA 0.222 4.405 4.170 0.021 0.000 0.291 131 I C -2.619 173.528 176.117 0.051 0.000 1.010 131 I CA -2.548 58.751 61.300 -0.002 0.000 1.308 131 I CB 0.512 38.539 38.000 0.044 0.000 1.400 131 I HN -0.340 7.749 8.210 -0.166 0.022 0.488 132 P HA 0.198 4.986 4.420 0.259 -0.213 0.264 132 P C -0.835 176.621 177.300 0.260 0.000 1.183 132 P CA -0.017 63.242 63.100 0.264 0.000 0.763 132 P CB 0.380 32.296 31.700 0.360 0.000 0.807 133 T N -1.420 113.264 114.554 0.215 0.000 2.908 133 T HA 0.814 5.405 4.350 0.116 -0.171 0.290 133 T C -0.791 173.992 174.700 0.137 0.000 1.034 133 T CA -2.560 59.610 62.100 0.118 0.000 1.010 133 T CB 3.774 72.631 68.868 -0.017 0.000 1.068 133 T HN 0.213 8.882 8.240 0.210 -0.303 0.481 134 I N 0.050 120.728 120.570 0.180 0.000 2.499 134 I HA 0.275 4.695 4.170 0.150 -0.159 0.288 134 I C -2.446 173.832 176.117 0.268 0.000 1.048 134 I CA -1.024 60.397 61.300 0.201 0.000 1.062 134 I CB 4.264 42.397 38.000 0.222 0.000 1.238 134 I HN 0.466 8.774 8.210 0.164 0.000 0.426 135 L N 7.105 128.462 121.223 0.224 0.000 2.255 135 L HA 0.444 5.139 4.340 0.342 -0.150 0.289 135 L C -2.130 174.835 176.870 0.158 0.000 1.046 135 L CA -1.136 53.830 54.840 0.210 0.000 0.816 135 L CB 1.876 43.917 42.059 -0.031 0.000 1.197 135 L HN -0.026 8.282 8.230 0.129 0.000 0.427 136 D N 7.277 127.809 120.400 0.220 0.000 2.422 136 D HA 0.258 4.993 4.640 0.159 0.000 0.227 136 D C -1.017 175.407 176.300 0.207 0.000 1.190 136 D CA 0.049 54.165 54.000 0.194 0.000 0.905 136 D CB 0.264 41.185 40.800 0.201 0.000 1.034 136 D HN 0.232 8.763 8.370 0.268 0.000 0.507 137 M N 5.804 125.469 119.600 0.108 0.000 2.251 137 M HA 0.199 4.768 4.480 0.149 0.000 0.308 137 M C -1.137 175.144 176.300 -0.032 0.000 0.967 137 M CA -0.177 55.147 55.300 0.041 0.000 1.103 137 M CB 2.385 34.900 32.600 -0.142 0.000 1.815 137 M HN -0.224 8.108 8.290 0.070 0.000 0.623 138 K N -1.866 118.530 120.400 -0.006 0.000 3.096 138 K HA -0.354 3.986 4.320 0.037 0.003 0.266 138 K C -0.302 176.254 176.600 -0.074 0.000 1.043 138 K CA 0.811 57.099 56.287 0.003 0.000 0.758 138 K CB -2.937 29.587 32.500 0.039 0.000 1.260 138 K HN -0.288 7.977 8.250 0.024 0.000 0.481 139 I N -5.276 115.192 120.570 -0.169 0.000 2.813 139 I HA -0.063 3.852 4.170 -0.424 0.000 0.287 139 I C -1.691 174.362 176.117 -0.108 0.000 1.196 139 I CA 0.194 61.301 61.300 -0.321 0.000 1.421 139 I CB 0.927 38.581 38.000 -0.576 0.000 1.365 139 I HN -0.800 7.317 8.210 -0.155 0.000 0.591 140 N N 1.376 120.042 118.700 -0.056 0.000 2.431 140 N HA 0.150 4.934 4.740 0.074 0.000 0.275 140 N C -2.237 173.352 175.510 0.132 0.000 1.091 140 N CA -0.826 52.260 53.050 0.060 0.000 0.922 140 N CB 3.178 41.705 38.487 0.065 0.000 1.666 140 N HN -0.223 8.101 8.380 -0.093 0.000 0.484 141 D N 0.209 120.692 120.400 0.138 0.000 2.879 141 D HA 0.108 4.804 4.640 0.094 0.000 0.346 141 D C -1.847 174.499 176.300 0.077 0.000 1.390 141 D CA -0.840 53.229 54.000 0.116 0.000 0.838 141 D CB 2.466 43.352 40.800 0.142 0.000 1.416 141 D HN -0.009 8.436 8.370 0.125 0.000 0.493 142 I N -4.040 116.558 120.570 0.047 0.000 2.779 142 I HA 0.219 4.407 4.170 0.030 0.000 0.285 142 I C 1.268 177.404 176.117 0.033 0.000 1.134 142 I CA -0.307 61.011 61.300 0.030 0.000 1.398 142 I CB 0.604 38.611 38.000 0.012 0.000 1.404 142 I HN -0.055 8.179 8.210 0.039 0.000 0.587 143 G N 2.664 111.482 108.800 0.030 0.000 2.599 143 G HA2 -0.475 3.515 3.960 0.050 0.000 0.219 143 G HA3 -0.475 3.562 3.960 0.031 -0.059 0.219 143 G C 1.192 176.104 174.900 0.019 0.000 1.193 143 G CA 2.810 47.931 45.100 0.034 0.000 0.778 143 G HN 0.502 8.807 8.290 0.026 0.000 0.589 144 N N -1.167 117.534 118.700 0.003 0.000 2.192 144 N HA -0.225 4.507 4.740 -0.014 0.000 0.188 144 N C 1.367 176.856 175.510 -0.035 0.000 1.013 144 N CA 2.657 55.698 53.050 -0.015 0.000 0.863 144 N CB -0.087 38.390 38.487 -0.018 0.000 0.990 144 N HN 0.198 8.580 8.380 0.003 0.000 0.430 145 T N 0.443 114.976 114.554 -0.036 0.000 2.852 145 T HA -0.170 4.113 4.350 -0.112 0.000 0.256 145 T C 1.766 176.400 174.700 -0.111 0.000 1.038 145 T CA 3.790 65.840 62.100 -0.083 0.000 1.141 145 T CB 0.553 69.382 68.868 -0.065 0.000 0.869 145 T HN -0.642 7.477 8.240 -0.018 0.110 0.439 146 V N -0.531 119.386 119.914 0.004 0.000 2.867 146 V HA -0.449 3.768 4.120 0.162 0.000 0.260 146 V C 0.917 177.054 176.094 0.071 0.000 1.099 146 V CA 3.528 65.895 62.300 0.110 0.000 1.122 146 V CB -0.703 31.239 31.823 0.199 0.000 0.708 146 V HN 0.156 8.367 8.190 0.033 0.000 0.490 147 K N -0.036 120.375 120.400 0.018 0.000 2.160 147 K HA -0.357 4.134 4.320 0.056 -0.136 0.206 147 K C 2.299 178.891 176.600 -0.013 0.000 1.047 147 K CA 3.420 59.717 56.287 0.017 0.000 0.930 147 K CB -0.743 31.752 32.500 -0.009 0.000 0.720 147 K HN -0.567 7.659 8.250 0.004 0.027 0.450 148 N N -1.037 117.597 118.700 -0.109 0.000 2.166 148 N HA -0.267 4.408 4.740 -0.109 0.000 0.186 148 N C 2.224 177.670 175.510 -0.106 0.000 1.019 148 N CA 3.173 56.121 53.050 -0.170 0.000 0.856 148 N CB -0.225 38.067 38.487 -0.325 0.000 0.993 148 N HN -0.453 7.830 8.380 -0.147 0.009 0.426 149 Y N -0.328 119.957 120.300 -0.024 0.000 2.242 149 Y HA -0.248 4.298 4.550 -0.006 0.000 0.291 149 Y C 1.945 177.826 175.900 -0.032 0.000 1.137 149 Y CA 2.479 60.565 58.100 -0.024 0.000 1.181 149 Y CB -0.583 37.844 38.460 -0.054 0.000 0.989 149 Y HN -0.507 7.595 8.280 -0.132 0.099 0.527 150 R N -0.301 120.299 120.500 0.166 0.000 2.080 150 R HA -0.558 3.919 4.340 0.228 0.000 0.236 150 R C 1.770 178.111 176.300 0.068 0.000 1.137 150 R CA 4.136 60.339 56.100 0.172 0.000 0.943 150 R CB -0.222 30.206 30.300 0.213 0.000 0.846 150 R HN -0.207 8.169 8.270 0.176 0.000 0.431 151 K N -1.423 119.014 120.400 0.063 0.000 2.020 151 K HA -0.371 3.974 4.320 0.042 0.000 0.212 151 K C 1.852 178.480 176.600 0.047 0.000 1.050 151 K CA 3.612 59.927 56.287 0.046 0.000 0.929 151 K CB -0.329 32.192 32.500 0.035 0.000 0.714 151 K HN -0.452 7.837 8.250 0.064 0.000 0.443 152 F N -0.395 119.500 119.950 -0.092 0.000 2.046 152 F HA -0.371 4.126 4.527 -0.050 0.000 0.297 152 F C 1.782 177.474 175.800 -0.179 0.000 1.123 152 F CA 2.892 60.832 58.000 -0.099 0.000 1.199 152 F CB 0.066 38.997 39.000 -0.115 0.000 0.972 152 F HN -0.557 7.859 8.300 0.193 0.000 0.474 153 I N -2.127 118.106 120.570 -0.563 0.000 2.202 153 I HA -0.564 2.898 4.170 -1.181 0.000 0.242 153 I C 1.869 177.421 176.117 -0.942 0.000 1.091 153 I CA 4.588 65.294 61.300 -0.991 0.000 1.368 153 I CB 0.139 37.488 38.000 -1.085 0.000 1.058 153 I HN 0.144 8.184 8.210 -0.285 0.000 0.410 154 F N -3.585 116.102 119.950 -0.440 0.000 2.582 154 F HA 0.207 4.441 4.527 -0.487 0.000 0.290 154 F C 2.598 178.191 175.800 -0.345 0.000 1.115 154 F CA 0.650 58.318 58.000 -0.554 0.000 1.445 154 F CB 0.176 38.423 39.000 -1.254 0.000 1.126 154 F HN 0.173 8.136 8.300 -0.561 0.000 0.574 155 E N -0.681 119.469 120.200 -0.083 0.000 2.094 155 E HA -0.151 4.197 4.350 -0.004 0.000 0.193 155 E C 1.085 177.657 176.600 -0.046 0.000 0.950 155 E CA 2.277 58.666 56.400 -0.019 0.000 0.842 155 E CB 0.571 30.293 29.700 0.037 0.000 0.816 155 E HN -0.151 8.041 8.360 -0.096 0.110 0.465 156 Y N -0.651 119.541 120.300 -0.179 0.000 2.153 156 Y HA -0.238 4.243 4.550 -0.115 0.000 0.289 156 Y C 0.917 176.651 175.900 -0.277 0.000 1.127 156 Y CA 3.010 61.007 58.100 -0.172 0.000 1.131 156 Y CB 0.849 39.264 38.460 -0.074 0.000 0.995 156 Y HN -0.368 7.942 8.280 0.049 0.000 0.505 157 L N -4.969 115.964 121.223 -0.484 0.000 2.240 157 L HA -0.196 3.783 4.340 -0.601 0.000 0.211 157 L C -0.433 176.228 176.870 -0.348 0.000 1.106 157 L CA 1.125 55.587 54.840 -0.630 0.000 0.793 157 L CB 0.570 41.929 42.059 -1.167 0.000 0.927 157 L HN -0.466 7.470 8.230 -0.490 0.000 0.446 158 K N -6.317 113.920 120.400 -0.273 0.000 3.167 158 K HA -0.371 4.094 4.320 -0.053 -0.177 0.272 158 K C -1.006 175.655 176.600 0.102 0.000 1.137 158 K CA 0.293 56.528 56.287 -0.088 0.000 0.800 158 K CB -2.732 29.629 32.500 -0.230 0.000 1.253 158 K HN -0.480 7.589 8.250 -0.302 0.000 0.497 159 S N -1.955 113.735 115.700 -0.016 0.000 2.579 159 S HA -0.058 4.636 4.470 0.373 0.000 0.275 159 S C 1.042 175.754 174.600 0.186 0.000 1.345 159 S CA 0.824 59.104 58.200 0.133 0.000 1.031 159 S CB 1.652 64.760 63.200 -0.155 0.000 0.892 159 S HN -0.475 7.682 8.310 -0.255 0.000 0.529 160 D N 3.376 123.820 120.400 0.075 0.000 2.289 160 D HA 0.006 4.659 4.640 0.023 0.000 0.207 160 D C -0.593 175.491 176.300 -0.360 0.000 0.966 160 D CA 2.282 56.190 54.000 -0.153 0.000 0.868 160 D CB 0.972 41.542 40.800 -0.383 0.000 0.943 160 D HN -0.261 8.147 8.370 0.063 0.000 0.514 161 S N -7.056 108.540 115.700 -0.173 0.000 2.611 161 S HA 0.698 5.467 4.470 0.125 -0.224 0.268 161 S C -2.126 172.505 174.600 0.050 0.000 1.156 161 S CA -0.845 57.302 58.200 -0.088 0.000 0.817 161 S CB 2.517 65.448 63.200 -0.448 0.000 1.122 161 S HN -0.731 7.495 8.310 -0.085 0.033 0.466 162 C N -3.299 116.086 119.300 0.141 0.000 3.332 162 C HA 0.952 5.631 4.460 0.087 -0.166 0.329 162 C C -1.245 173.874 174.990 0.214 0.000 1.434 162 C CA -1.790 57.283 59.018 0.092 0.000 1.314 162 C CB 3.626 31.310 27.740 -0.094 0.000 1.664 162 C HN 0.146 8.493 8.230 0.196 0.000 0.457 163 T N -1.102 113.554 114.554 0.170 0.000 2.867 163 T HA 0.952 5.685 4.350 0.280 -0.215 0.282 163 T C -0.453 174.317 174.700 0.116 0.000 1.000 163 T CA -1.897 60.321 62.100 0.197 0.000 1.042 163 T CB 1.362 70.335 68.868 0.175 0.000 0.973 163 T HN -0.030 8.281 8.240 0.119 0.000 0.465 164 V N 1.674 121.673 119.914 0.141 0.000 2.789 164 V HA 0.279 4.567 4.120 0.057 -0.134 0.311 164 V C -2.408 173.756 176.094 0.115 0.000 1.073 164 V CA -1.660 60.702 62.300 0.102 0.000 0.921 164 V CB 4.218 36.112 31.823 0.119 0.000 1.009 164 V HN 0.323 8.624 8.190 0.185 0.000 0.426 165 N N 3.377 122.131 118.700 0.090 0.000 2.511 165 N HA 0.270 5.084 4.740 0.124 0.000 0.249 165 N C -0.378 175.204 175.510 0.120 0.000 0.971 165 N CA -1.553 51.562 53.050 0.108 0.000 0.938 165 N CB 1.103 39.643 38.487 0.088 0.000 1.131 165 N HN -0.130 8.289 8.380 0.065 0.000 0.505 166 I N -0.261 120.389 120.570 0.132 0.000 3.858 166 I HA 0.176 4.402 4.170 0.093 0.000 0.325 166 I C -1.001 175.178 176.117 0.103 0.000 1.403 166 I CA -0.655 60.709 61.300 0.107 0.000 1.169 166 I CB -1.303 36.753 38.000 0.094 0.000 1.077 166 I HN 0.315 8.610 8.210 0.141 0.000 0.403 167 Y N 1.066 121.380 120.300 0.023 0.000 2.256 167 Y HA -0.455 4.095 4.550 -0.000 0.000 0.288 167 Y C 0.804 176.698 175.900 -0.009 0.000 1.155 167 Y CA 3.277 61.377 58.100 -0.000 0.000 1.203 167 Y CB 0.294 38.744 38.460 -0.017 0.000 0.980 167 Y HN -0.541 8.120 8.280 0.262 -0.224 0.530 168 M N -3.259 116.333 119.600 -0.014 0.000 2.175 168 M HA -0.182 4.208 4.480 -0.151 0.000 0.264 168 M C 0.279 176.508 176.300 -0.118 0.000 1.063 168 M CA 1.612 56.861 55.300 -0.085 0.000 1.119 168 M CB 0.719 33.325 32.600 0.011 0.000 1.377 168 M HN -0.056 8.279 8.290 0.093 0.010 0.415 169 G N -4.779 103.981 108.800 -0.067 0.000 2.337 169 G HA2 -0.044 3.867 3.960 -0.081 0.000 0.298 169 G HA3 -0.044 3.880 3.960 -0.059 0.000 0.298 169 G C -1.937 172.958 174.900 -0.007 0.000 1.335 169 G CA -0.459 44.606 45.100 -0.057 0.000 0.875 169 G HN -1.011 7.173 8.290 -0.027 0.089 0.579 170 T N -5.460 109.090 114.554 -0.007 0.000 3.022 170 T HA 0.023 4.397 4.350 0.041 0.000 0.250 170 T C 1.236 175.947 174.700 0.018 0.000 1.060 170 T CA 0.196 62.307 62.100 0.020 0.000 1.013 170 T CB 0.864 69.744 68.868 0.019 0.000 0.982 170 T HN -0.060 8.166 8.240 -0.023 0.000 0.508 171 N N 2.501 121.198 118.700 -0.006 0.000 2.272 171 N HA -0.252 4.479 4.740 -0.015 0.000 0.185 171 N C 2.107 177.640 175.510 0.038 0.000 1.014 171 N CA 2.702 55.750 53.050 -0.003 0.000 0.870 171 N CB -0.645 37.829 38.487 -0.022 0.000 0.975 171 N HN 0.418 8.786 8.380 -0.019 0.000 0.433 172 M N -2.746 116.882 119.600 0.045 0.000 2.202 172 M HA -0.295 4.225 4.480 0.067 0.000 0.262 172 M C 1.190 177.548 176.300 0.096 0.000 1.063 172 M CA 3.269 58.610 55.300 0.070 0.000 1.097 172 M CB -0.646 31.997 32.600 0.072 0.000 1.382 172 M HN -0.080 8.212 8.290 0.035 0.019 0.413 173 L N -1.401 119.881 121.223 0.097 0.000 2.261 173 L HA -0.341 4.075 4.340 0.127 0.000 0.216 173 L C 1.809 178.767 176.870 0.146 0.000 1.114 173 L CA 2.245 57.157 54.840 0.120 0.000 0.777 173 L CB -1.067 41.058 42.059 0.110 0.000 0.910 173 L HN -0.374 7.779 8.230 0.083 0.127 0.440 174 K N -3.032 117.457 120.400 0.149 0.000 2.147 174 K HA -0.284 4.187 4.320 0.251 0.000 0.205 174 K C 0.447 177.160 176.600 0.187 0.000 1.049 174 K CA 3.056 59.465 56.287 0.204 0.000 0.936 174 K CB -0.046 32.569 32.500 0.191 0.000 0.722 174 K HN -0.518 7.668 8.250 0.124 0.138 0.446 175 D N -3.865 116.615 120.400 0.133 0.000 2.463 175 D HA 0.239 4.927 4.640 0.080 0.000 0.224 175 D C -0.792 175.592 176.300 0.141 0.000 1.174 175 D CA -0.000 54.062 54.000 0.104 0.000 0.829 175 D CB 0.438 41.281 40.800 0.072 0.000 0.993 175 D HN -0.595 7.834 8.370 0.124 0.015 0.497 176 I N -1.591 119.085 120.570 0.177 0.000 3.650 176 I HA 0.107 4.441 4.170 0.275 0.000 0.261 176 I C 0.080 176.343 176.117 0.245 0.000 1.154 176 I CA 1.274 62.718 61.300 0.240 0.000 1.418 176 I CB 2.056 40.189 38.000 0.222 0.000 1.539 176 I HN -0.584 7.560 8.210 0.171 0.168 0.449 177 C N -2.075 117.331 119.300 0.176 0.000 2.576 177 C HA 0.047 4.536 4.460 0.049 0.000 0.267 177 C C -1.130 173.922 174.990 0.102 0.000 1.364 177 C CA 1.012 60.093 59.018 0.105 0.000 1.723 177 C CB -1.180 26.603 27.740 0.072 0.000 1.778 177 C HN -0.369 7.962 8.230 0.168 0.000 0.572 178 Y N -0.748 119.516 120.300 -0.060 0.000 2.513 178 Y HA 0.676 5.141 4.550 -0.466 -0.194 0.340 178 Y C -2.632 173.174 175.900 -0.157 0.000 1.055 178 Y CA -2.732 55.222 58.100 -0.243 0.000 1.020 178 Y CB 3.584 41.929 38.460 -0.193 0.000 1.301 178 Y HN -0.900 7.443 8.280 0.197 0.056 0.453 179 D N 5.223 125.168 120.400 -0.759 0.000 2.440 179 D HA 0.358 4.714 4.640 -0.474 0.000 0.252 179 D C -0.677 175.015 176.300 -1.014 0.000 1.180 179 D CA -2.084 51.534 54.000 -0.638 0.000 0.894 179 D CB 1.988 42.631 40.800 -0.262 0.000 1.111 179 D HN -0.065 7.792 8.370 -0.855 0.000 0.544 180 E N 7.669 127.245 120.200 -1.040 0.000 2.150 180 E HA -0.293 3.431 4.350 -1.045 0.000 0.193 180 E C 1.283 177.677 176.600 -0.343 0.000 0.985 180 E CA 2.989 58.925 56.400 -0.773 0.000 0.814 180 E CB 0.105 29.596 29.700 -0.348 0.000 0.752 180 E HN 0.601 8.476 8.360 -0.810 0.000 0.466 181 E N -1.014 119.032 120.200 -0.256 0.000 2.106 181 E HA -0.150 4.133 4.350 -0.112 0.000 0.192 181 E C 1.342 177.862 176.600 -0.133 0.000 0.984 181 E CA 2.287 58.601 56.400 -0.145 0.000 0.806 181 E CB -0.114 29.525 29.700 -0.102 0.000 0.750 181 E HN -0.259 8.065 8.360 -0.265 -0.123 0.458 182 K N -3.527 116.768 120.400 -0.175 0.000 2.374 182 K HA -0.024 4.244 4.320 -0.087 0.000 0.196 182 K C -0.715 175.798 176.600 -0.145 0.000 1.023 182 K CA -0.687 55.523 56.287 -0.129 0.000 1.103 182 K CB 0.473 32.915 32.500 -0.097 0.000 0.848 182 K HN -0.772 7.543 8.250 -0.229 -0.202 0.528 183 N N -0.574 117.999 118.700 -0.212 0.000 2.705 183 N HA -0.333 4.301 4.740 -0.175 0.000 0.255 183 N C -1.516 173.862 175.510 -0.220 0.000 1.008 183 N CA 1.022 53.977 53.050 -0.159 0.000 0.742 183 N CB -1.852 36.634 38.487 -0.002 0.000 0.906 183 N HN -0.227 7.994 8.380 -0.265 0.000 0.541 184 K N -1.685 118.441 120.400 -0.456 0.000 2.318 184 K HA 0.336 4.479 4.320 -0.295 0.000 0.249 184 K C -1.980 174.089 176.600 -0.884 0.000 0.942 184 K CA -1.258 54.721 56.287 -0.512 0.000 0.808 184 K CB 3.912 36.160 32.500 -0.420 0.000 1.189 184 K HN -0.718 7.201 8.250 -0.551 0.000 0.428 185 Y N -1.155 118.736 120.300 -0.682 0.000 2.462 185 Y HA 0.589 5.034 4.550 -0.481 -0.184 0.346 185 Y C -0.563 174.759 175.900 -0.963 0.000 0.976 185 Y CA -1.736 55.991 58.100 -0.621 0.000 1.044 185 Y CB 4.173 42.459 38.460 -0.289 0.000 1.230 185 Y HN 0.138 8.160 8.280 -0.429 0.000 0.455 186 Y N -0.488 119.665 120.300 -0.245 0.000 2.609 186 Y HA 0.132 4.389 4.550 -0.489 0.000 0.342 186 Y C -1.240 174.388 175.900 -0.453 0.000 1.058 186 Y CA -1.467 56.286 58.100 -0.579 0.000 1.055 186 Y CB 3.419 40.983 38.460 -1.495 0.000 1.292 186 Y HN 0.084 8.096 8.280 -0.283 0.098 0.476 187 S N -0.175 115.334 115.700 -0.317 0.000 2.593 187 S HA 0.547 4.901 4.470 -0.460 -0.160 0.297 187 S C -1.586 172.848 174.600 -0.277 0.000 1.112 187 S CA -0.881 57.042 58.200 -0.462 0.000 1.043 187 S CB 2.746 65.465 63.200 -0.801 0.000 1.054 187 S HN 0.023 8.142 8.310 -0.319 0.000 0.516 188 A N 1.616 124.250 122.820 -0.311 0.000 2.556 188 A HA 0.894 5.382 4.320 0.001 -0.167 0.294 188 A C -2.498 174.945 177.584 -0.234 0.000 1.091 188 A CA -1.350 50.624 52.037 -0.106 0.000 0.704 188 A CB 3.788 22.824 19.000 0.060 0.000 1.300 188 A HN 0.106 8.015 8.150 -0.401 0.000 0.406 189 F N -0.522 119.524 119.950 0.161 0.000 2.426 189 F HA 0.340 5.073 4.527 0.227 -0.070 0.348 189 F C -0.425 175.489 175.800 0.190 0.000 1.124 189 F CA -1.031 57.093 58.000 0.207 0.000 1.008 189 F CB 2.637 41.773 39.000 0.225 0.000 1.139 189 F HN 0.059 8.588 8.300 0.383 0.000 0.452 190 V N -2.186 117.946 119.914 0.363 0.000 2.617 190 V HA 0.811 5.288 4.120 0.248 -0.208 0.298 190 V C -0.234 176.042 176.094 0.303 0.000 1.048 190 V CA -2.733 59.745 62.300 0.296 0.000 0.964 190 V CB 1.729 33.707 31.823 0.258 0.000 1.004 190 V HN 0.896 9.217 8.190 0.373 0.093 0.466 191 L N 3.015 124.370 121.223 0.219 0.000 2.418 191 L HA -0.163 4.290 4.340 0.189 0.000 0.274 191 L C -0.423 176.544 176.870 0.161 0.000 1.135 191 L CA 0.959 55.907 54.840 0.179 0.000 0.870 191 L CB -1.369 40.770 42.059 0.135 0.000 1.154 191 L HN -0.305 8.041 8.230 0.194 0.000 0.462 192 V N 4.329 124.332 119.914 0.148 0.000 2.939 192 V HA 0.061 4.246 4.120 0.108 0.000 0.228 192 V C -0.471 175.659 176.094 0.059 0.000 1.162 192 V CA 1.411 63.775 62.300 0.107 0.000 1.222 192 V CB 1.564 33.424 31.823 0.063 0.000 1.053 192 V HN -0.054 8.232 8.190 0.160 0.000 0.504 193 K N -0.566 119.826 120.400 -0.014 0.000 2.535 193 K HA 0.519 5.005 4.320 -0.114 -0.235 0.253 193 K C -1.170 175.398 176.600 -0.054 0.000 0.953 193 K CA -1.917 54.297 56.287 -0.121 0.000 0.863 193 K CB 1.756 34.059 32.500 -0.328 0.000 1.111 193 K HN -0.622 7.640 8.250 0.019 0.000 0.431 194 T N 4.842 119.377 114.554 -0.032 0.000 2.912 194 T HA 0.370 4.721 4.350 0.002 0.000 0.280 194 T C 0.142 174.820 174.700 -0.038 0.000 0.989 194 T CA -2.127 59.966 62.100 -0.011 0.000 0.995 194 T CB 1.795 70.674 68.868 0.018 0.000 1.077 194 T HN 0.087 8.578 8.240 -0.031 -0.270 0.531 195 T N -7.190 107.349 114.554 -0.025 0.000 3.113 195 T HA -0.121 4.353 4.350 -0.063 -0.162 0.256 195 T C 0.160 174.838 174.700 -0.036 0.000 1.131 195 T CA -0.050 62.026 62.100 -0.040 0.000 1.074 195 T CB 0.269 69.122 68.868 -0.025 0.000 0.944 195 T HN -0.006 8.230 8.240 -0.007 0.000 0.516 196 N N 1.537 120.222 118.700 -0.025 0.000 2.492 196 N HA 0.066 4.795 4.740 -0.018 0.000 0.260 196 N C -0.353 175.132 175.510 -0.042 0.000 1.215 196 N CA -1.498 51.537 53.050 -0.025 0.000 0.923 196 N CB -0.058 38.419 38.487 -0.016 0.000 1.092 196 N HN -0.594 7.731 8.380 -0.019 0.045 0.448 197 P HA -0.146 4.245 4.420 -0.047 0.000 0.218 197 P C -0.329 176.935 177.300 -0.060 0.000 1.148 197 P CA 1.882 64.954 63.100 -0.045 0.000 0.822 197 P CB 0.124 31.804 31.700 -0.034 0.000 0.784 198 D N -5.634 114.724 120.400 -0.069 0.000 2.336 198 D HA 0.067 4.647 4.640 -0.101 0.000 0.228 198 D C 1.166 177.391 176.300 -0.125 0.000 1.120 198 D CA -0.404 53.535 54.000 -0.102 0.000 0.839 198 D CB -1.317 39.415 40.800 -0.114 0.000 0.932 198 D HN 0.266 8.580 8.370 -0.061 0.019 0.509 199 S N -0.021 115.625 115.700 -0.091 0.000 2.465 199 S HA -0.342 4.087 4.470 -0.069 0.000 0.241 199 S C 1.190 175.738 174.600 -0.088 0.000 1.000 199 S CA 2.714 60.866 58.200 -0.079 0.000 0.964 199 S CB -0.776 62.386 63.200 -0.064 0.000 0.763 199 S HN -0.189 7.916 8.310 -0.078 0.159 0.512 200 A N 1.045 123.804 122.820 -0.101 0.000 2.066 200 A HA -0.261 4.026 4.320 -0.056 0.000 0.218 200 A C 1.353 178.872 177.584 -0.109 0.000 1.157 200 A CA 2.310 54.298 52.037 -0.081 0.000 0.670 200 A CB -0.472 18.487 19.000 -0.069 0.000 0.804 200 A HN -0.151 7.891 8.150 -0.103 0.046 0.453 201 I N -5.767 114.661 120.570 -0.237 0.000 2.208 201 I HA -0.456 3.554 4.170 -0.266 0.000 0.245 201 I C 0.705 176.611 176.117 -0.351 0.000 1.097 201 I CA 3.355 64.414 61.300 -0.402 0.000 1.363 201 I CB -0.264 37.301 38.000 -0.726 0.000 1.051 201 I HN -0.503 7.518 8.210 -0.257 0.035 0.413 202 F N -3.169 116.772 119.950 -0.015 0.000 2.514 202 F HA 0.019 4.548 4.527 0.004 0.000 0.281 202 F C 2.252 178.071 175.800 0.031 0.000 1.060 202 F CA 1.056 59.052 58.000 -0.006 0.000 1.397 202 F CB 1.355 40.319 39.000 -0.060 0.000 1.129 202 F HN -0.936 7.238 8.300 -0.211 0.000 0.620 203 Q N -1.788 118.127 119.800 0.192 0.000 2.224 203 Q HA -0.336 4.132 4.340 0.213 0.000 0.203 203 Q C 1.266 177.394 176.000 0.213 0.000 0.970 203 Q CA 3.565 59.476 55.803 0.180 0.000 0.865 203 Q CB 0.118 28.914 28.738 0.097 0.000 0.922 203 Q HN -0.396 7.955 8.270 0.135 0.000 0.445 204 K N -3.240 117.238 120.400 0.130 0.000 2.325 204 K HA 0.195 4.747 4.320 0.196 -0.114 0.203 204 K C 2.030 178.676 176.600 0.077 0.000 1.128 204 K CA 0.823 57.185 56.287 0.124 0.000 0.931 204 K CB 0.770 33.307 32.500 0.062 0.000 1.125 204 K HN -0.337 7.839 8.250 0.081 0.123 0.487 205 N N -1.206 117.528 118.700 0.057 0.000 2.354 205 N HA -0.169 4.593 4.740 0.036 0.000 0.179 205 N C 0.481 176.035 175.510 0.073 0.000 1.021 205 N CA 1.145 54.223 53.050 0.047 0.000 0.887 205 N CB 0.464 38.962 38.487 0.019 0.000 0.974 205 N HN -0.386 8.021 8.380 0.046 0.000 0.437 206 L N 0.187 121.478 121.223 0.114 0.000 2.397 206 L HA 0.060 4.458 4.340 0.097 0.000 0.271 206 L C -0.963 175.944 176.870 0.062 0.000 1.148 206 L CA 0.704 55.609 54.840 0.109 0.000 0.825 206 L CB 0.593 42.746 42.059 0.158 0.000 1.117 206 L HN -0.859 7.456 8.230 0.142 0.000 0.456 207 S N 0.074 115.797 115.700 0.039 0.000 2.651 207 S HA 0.728 5.305 4.470 -0.008 -0.112 0.279 207 S C -1.894 172.708 174.600 0.004 0.000 1.148 207 S CA -1.376 56.828 58.200 0.005 0.000 0.837 207 S CB 3.069 66.265 63.200 -0.007 0.000 1.138 207 S HN -0.035 8.300 8.310 0.043 0.000 0.478 208 L N -0.634 120.581 121.223 -0.013 0.000 2.406 208 L HA 0.614 4.953 4.340 -0.002 0.000 0.272 208 L C -1.436 175.427 176.870 -0.012 0.000 0.980 208 L CA 0.188 55.022 54.840 -0.009 0.000 0.831 208 L CB 2.120 44.173 42.059 -0.011 0.000 1.253 208 L HN -0.016 8.196 8.230 -0.029 0.000 0.406 209 D N 4.104 124.502 120.400 -0.003 0.000 2.751 209 D HA -0.333 4.309 4.640 0.004 0.000 0.233 209 D C -0.406 175.892 176.300 -0.003 0.000 1.149 209 D CA 1.443 55.444 54.000 0.001 0.000 0.682 209 D CB -1.725 39.078 40.800 0.005 0.000 1.068 209 D HN 0.683 9.053 8.370 0.000 0.000 0.429 210 N N -7.855 110.840 118.700 -0.008 0.000 2.599 210 N HA -0.378 4.358 4.740 -0.006 0.000 0.195 210 N C -0.580 174.907 175.510 -0.038 0.000 1.424 210 N CA 1.966 55.009 53.050 -0.011 0.000 2.559 210 N CB -0.717 37.771 38.487 0.002 0.000 0.894 210 N HN 0.252 8.613 8.380 -0.006 0.015 0.496 211 K N 2.317 122.682 120.400 -0.059 0.000 2.401 211 K HA -0.014 4.211 4.320 -0.158 0.000 0.278 211 K C -0.439 176.069 176.600 -0.153 0.000 1.018 211 K CA 0.237 56.444 56.287 -0.132 0.000 0.981 211 K CB 0.400 32.815 32.500 -0.142 0.000 0.933 211 K HN -0.418 7.728 8.250 -0.044 0.077 0.477 212 Q N 1.474 121.130 119.800 -0.241 0.000 2.432 212 Q HA -0.053 4.381 4.340 -0.081 -0.142 0.264 212 Q C 1.864 177.747 176.000 -0.195 0.000 1.035 212 Q CA 0.934 56.626 55.803 -0.185 0.000 0.908 212 Q CB 0.953 29.585 28.738 -0.178 0.000 1.280 212 Q HN 0.261 8.338 8.270 -0.322 0.000 0.455 213 A N 4.024 126.824 122.820 -0.033 0.000 1.948 213 A HA -0.333 3.981 4.320 -0.009 0.000 0.220 213 A C 1.526 179.107 177.584 -0.005 0.000 1.177 213 A CA 3.378 55.423 52.037 0.015 0.000 0.636 213 A CB -0.162 18.907 19.000 0.116 0.000 0.815 213 A HN 0.342 8.508 8.150 0.027 0.000 0.449 214 Y N -4.540 115.737 120.300 -0.040 0.000 2.274 214 Y HA -0.328 4.197 4.550 -0.043 0.000 0.290 214 Y C 1.589 177.414 175.900 -0.124 0.000 1.145 214 Y CA 2.291 60.351 58.100 -0.066 0.000 1.203 214 Y CB -1.044 37.378 38.460 -0.063 0.000 0.984 214 Y HN -0.524 7.847 8.280 0.176 0.014 0.533 215 V N 1.131 120.609 119.914 -0.728 0.000 2.407 215 V HA -0.463 3.428 4.120 -0.382 0.000 0.245 215 V C 1.767 177.719 176.094 -0.236 0.000 1.041 215 V CA 3.737 65.722 62.300 -0.526 0.000 1.040 215 V CB 0.008 31.405 31.823 -0.710 0.000 0.671 215 V HN -0.838 6.754 8.190 -0.968 0.017 0.455 216 I N -0.222 120.227 120.570 -0.201 0.000 2.163 216 I HA -0.495 3.635 4.170 -0.065 0.000 0.243 216 I C 1.969 178.047 176.117 -0.065 0.000 1.085 216 I CA 2.705 63.950 61.300 -0.092 0.000 1.347 216 I CB -1.137 36.823 38.000 -0.066 0.000 1.044 216 I HN -0.765 7.299 8.210 -0.244 0.000 0.408 217 M N -0.290 119.272 119.600 -0.064 0.000 2.117 217 M HA -0.548 3.927 4.480 -0.008 0.000 0.262 217 M C 1.518 177.762 176.300 -0.095 0.000 1.065 217 M CA 4.235 59.516 55.300 -0.032 0.000 1.114 217 M CB -0.156 32.461 32.600 0.028 0.000 1.361 217 M HN 0.189 8.440 8.290 -0.064 0.000 0.408 218 A N -2.238 120.419 122.820 -0.271 0.000 1.902 218 A HA -0.400 3.582 4.320 -0.563 0.000 0.217 218 A C 1.599 178.961 177.584 -0.369 0.000 1.181 218 A CA 3.299 54.953 52.037 -0.638 0.000 0.623 218 A CB -1.060 17.130 19.000 -1.350 0.000 0.818 218 A HN -0.311 7.676 8.150 -0.271 0.000 0.443 219 Q N -1.346 118.343 119.800 -0.184 0.000 2.084 219 Q HA -0.329 4.109 4.340 0.164 0.000 0.202 219 Q C 2.234 178.291 176.000 0.094 0.000 0.978 219 Q CA 2.808 58.664 55.803 0.089 0.000 0.844 219 Q CB -0.501 28.366 28.738 0.216 0.000 0.898 219 Q HN -0.263 7.919 8.270 -0.147 0.000 0.426 220 E N -0.145 120.083 120.200 0.046 0.000 2.107 220 E HA -0.257 4.130 4.350 0.062 0.000 0.191 220 E C 2.074 178.719 176.600 0.076 0.000 0.982 220 E CA 2.356 58.788 56.400 0.053 0.000 0.809 220 E CB -0.502 29.212 29.700 0.023 0.000 0.756 220 E HN -0.492 7.876 8.360 0.012 0.000 0.459 221 A N -0.063 122.813 122.820 0.092 0.000 1.883 221 A HA -0.250 4.144 4.320 0.124 0.000 0.217 221 A C 2.317 179.998 177.584 0.162 0.000 1.186 221 A CA 3.216 55.342 52.037 0.147 0.000 0.624 221 A CB -0.771 18.370 19.000 0.234 0.000 0.822 221 A HN -0.307 7.884 8.150 0.069 0.000 0.444 222 L N -3.212 118.124 121.223 0.189 0.000 2.083 222 L HA -0.479 3.959 4.340 0.163 0.000 0.209 222 L C 2.294 179.255 176.870 0.153 0.000 1.083 222 L CA 2.897 57.846 54.840 0.181 0.000 0.752 222 L CB -0.699 41.500 42.059 0.233 0.000 0.899 222 L HN -0.297 8.049 8.230 0.192 0.000 0.433 223 N N -0.508 118.277 118.700 0.142 0.000 2.061 223 N HA -0.317 4.501 4.740 0.131 0.000 0.193 223 N C 2.364 177.950 175.510 0.128 0.000 1.030 223 N CA 2.818 55.942 53.050 0.124 0.000 0.856 223 N CB -0.486 38.058 38.487 0.096 0.000 1.023 223 N HN 0.039 8.504 8.380 0.142 0.000 0.424 224 M N -0.056 119.613 119.600 0.114 0.000 2.229 224 M HA -0.268 4.297 4.480 0.141 0.000 0.264 224 M C 1.309 177.703 176.300 0.157 0.000 1.063 224 M CA 1.859 57.238 55.300 0.131 0.000 1.114 224 M CB -0.550 32.106 32.600 0.094 0.000 1.387 224 M HN -0.201 8.152 8.290 0.105 0.000 0.420 225 S N 0.297 116.070 115.700 0.121 0.000 2.370 225 S HA -0.388 4.128 4.470 0.076 0.000 0.226 225 S C 1.608 176.249 174.600 0.068 0.000 1.033 225 S CA 3.882 62.134 58.200 0.088 0.000 1.011 225 S CB -0.338 62.911 63.200 0.082 0.000 0.852 225 S HN -0.258 8.039 8.310 0.120 0.085 0.457 226 S N 2.392 118.145 115.700 0.088 0.000 2.357 226 S HA -0.161 4.321 4.470 0.020 0.000 0.221 226 S C 2.181 176.809 174.600 0.047 0.000 1.031 226 S CA 2.718 60.952 58.200 0.056 0.000 0.982 226 S CB -0.730 62.514 63.200 0.074 0.000 0.853 226 S HN -0.622 7.754 8.310 0.109 0.000 0.458 227 Y N 4.909 125.208 120.300 -0.002 0.000 2.139 227 Y HA -0.351 4.190 4.550 -0.016 0.000 0.282 227 Y C 1.530 177.398 175.900 -0.054 0.000 1.179 227 Y CA 3.115 61.204 58.100 -0.017 0.000 1.161 227 Y CB 0.079 38.538 38.460 -0.002 0.000 0.970 227 Y HN -0.493 7.936 8.280 0.248 0.000 0.511 228 L N -6.040 115.157 121.223 -0.044 0.000 2.591 228 L HA -0.063 4.070 4.340 -0.345 0.000 0.228 228 L C -0.978 175.785 176.870 -0.177 0.000 1.133 228 L CA -0.050 54.686 54.840 -0.173 0.000 0.880 228 L CB 0.230 42.273 42.059 -0.026 0.000 1.033 228 L HN -0.624 7.560 8.230 0.083 0.096 0.450 229 N N -3.658 114.944 118.700 -0.163 0.000 2.735 229 N HA -0.382 4.266 4.740 -0.153 0.000 0.248 229 N C 0.025 175.381 175.510 -0.257 0.000 1.083 229 N CA 1.331 54.264 53.050 -0.195 0.000 0.703 229 N CB -2.357 35.986 38.487 -0.240 0.000 1.005 229 N HN -0.207 7.919 8.380 -0.134 0.173 0.550 230 L N -2.552 118.580 121.223 -0.151 0.000 2.046 230 L HA -0.399 3.809 4.340 -0.219 0.000 0.208 230 L C 1.605 178.375 176.870 -0.166 0.000 1.077 230 L CA 3.514 58.261 54.840 -0.155 0.000 0.747 230 L CB -0.652 41.374 42.059 -0.054 0.000 0.896 230 L HN -0.618 7.559 8.230 -0.087 0.000 0.432 231 E N -0.777 119.366 120.200 -0.095 0.000 2.070 231 E HA -0.490 3.844 4.350 -0.027 0.000 0.197 231 E C 2.478 179.012 176.600 -0.111 0.000 1.004 231 E CA 3.502 59.865 56.400 -0.062 0.000 0.805 231 E CB -0.375 29.309 29.700 -0.027 0.000 0.744 231 E HN 0.307 8.625 8.360 -0.070 0.000 0.451 232 Q N -3.687 116.017 119.800 -0.161 0.000 2.364 232 Q HA -0.154 4.109 4.340 -0.127 0.000 0.207 232 Q C 0.567 176.422 176.000 -0.241 0.000 0.970 232 Q CA 2.061 57.758 55.803 -0.176 0.000 0.888 232 Q CB -0.418 28.214 28.738 -0.177 0.000 0.951 232 Q HN 0.228 8.396 8.270 -0.169 0.000 0.469 233 N N -1.095 117.398 118.700 -0.345 0.000 2.275 233 N HA 0.161 4.708 4.740 -0.322 0.000 0.236 233 N C -1.665 173.711 175.510 -0.224 0.000 1.154 233 N CA -0.499 52.311 53.050 -0.400 0.000 0.866 233 N CB 0.592 38.523 38.487 -0.926 0.000 1.093 233 N HN -0.693 7.308 8.380 -0.358 0.164 0.515 234 N N -4.504 114.114 118.700 -0.137 0.000 2.776 234 N HA -0.395 4.327 4.740 -0.030 0.000 0.249 234 N C -1.838 173.651 175.510 -0.035 0.000 1.111 234 N CA 1.877 54.894 53.050 -0.055 0.000 0.711 234 N CB -1.582 36.884 38.487 -0.035 0.000 1.065 234 N HN -0.336 7.964 8.380 -0.134 0.000 0.556 235 E N -4.575 115.579 120.200 -0.078 0.000 2.393 235 E HA 0.820 5.068 4.350 -0.170 0.000 0.265 235 E C -1.946 174.597 176.600 -0.096 0.000 0.941 235 E CA -1.589 54.726 56.400 -0.142 0.000 0.801 235 E CB 4.227 33.827 29.700 -0.167 0.000 1.313 235 E HN -0.555 7.715 8.360 -0.105 0.027 0.435 236 F N -6.430 113.382 119.950 -0.229 0.000 2.711 236 F HA 0.487 4.891 4.527 -0.205 0.000 0.313 236 F C -2.283 173.358 175.800 -0.265 0.000 1.141 236 F CA -1.620 56.206 58.000 -0.290 0.000 0.941 236 F CB 2.435 41.104 39.000 -0.551 0.000 1.349 236 F HN 0.226 8.036 8.300 -0.817 0.000 0.464 237 I N 0.148 120.757 120.570 0.064 0.000 2.354 237 I HA 0.740 5.077 4.170 -0.093 -0.223 0.292 237 I C 0.066 176.178 176.117 -0.008 0.000 0.989 237 I CA -1.086 60.217 61.300 0.004 0.000 1.188 237 I CB 2.654 40.678 38.000 0.039 0.000 1.342 237 I HN -0.098 8.170 8.210 0.097 0.000 0.457 238 G N 4.343 113.085 108.800 -0.097 0.000 3.016 238 G HA2 0.772 4.383 3.960 -0.617 0.000 0.270 238 G HA3 0.772 4.733 3.960 -0.101 -0.062 0.270 238 G C -2.373 172.538 174.900 0.019 0.000 1.352 238 G CA -1.594 43.355 45.100 -0.253 0.000 1.060 238 G HN 0.632 8.818 8.290 -0.172 0.000 0.538 239 F N -3.618 116.565 119.950 0.389 0.000 2.540 239 F HA 0.777 5.646 4.527 0.247 -0.194 0.317 239 F C -0.394 175.603 175.800 0.328 0.000 1.104 239 F CA -3.080 55.093 58.000 0.288 0.000 0.913 239 F CB 3.491 42.595 39.000 0.173 0.000 1.170 239 F HN -0.006 8.403 8.300 0.182 0.000 0.450 240 V N 2.703 122.879 119.914 0.437 0.000 2.432 240 V HA 0.373 4.848 4.120 0.213 -0.228 0.271 240 V C -0.724 175.486 176.094 0.194 0.000 1.046 240 V CA -0.252 62.200 62.300 0.253 0.000 0.945 240 V CB 0.453 32.387 31.823 0.186 0.000 0.992 240 V HN 0.800 9.136 8.190 0.421 0.106 0.471 241 V N 7.629 127.631 119.914 0.147 0.000 2.482 241 V HA 0.508 4.836 4.120 0.049 -0.179 0.295 241 V C -0.115 175.999 176.094 0.032 0.000 1.026 241 V CA -1.963 60.388 62.300 0.086 0.000 0.856 241 V CB 3.094 34.999 31.823 0.136 0.000 1.001 241 V HN -0.243 8.031 8.190 0.139 0.000 0.424 242 G N 4.475 113.263 108.800 -0.020 0.000 2.484 242 G HA2 -0.047 4.015 3.960 -0.023 0.000 0.235 242 G HA3 -0.047 3.872 3.960 -0.067 0.000 0.235 242 G C 0.077 174.937 174.900 -0.067 0.000 1.282 242 G CA -0.080 44.993 45.100 -0.044 0.000 0.857 242 G HN 0.318 8.584 8.290 -0.040 0.000 0.571 243 A N 4.131 126.918 122.820 -0.054 0.000 1.972 243 A HA -0.214 4.107 4.320 0.003 0.000 0.219 243 A C 0.041 177.522 177.584 -0.172 0.000 1.169 243 A CA 2.494 54.507 52.037 -0.041 0.000 0.635 243 A CB 0.181 19.180 19.000 -0.002 0.000 0.810 243 A HN 0.547 8.672 8.150 -0.042 0.000 0.446 244 N N -6.695 111.850 118.700 -0.258 0.000 2.521 244 N HA -0.141 4.234 4.740 -0.608 0.000 0.188 244 N C -0.744 174.307 175.510 -0.766 0.000 1.146 244 N CA 0.037 52.795 53.050 -0.488 0.000 0.893 244 N CB -0.479 37.867 38.487 -0.235 0.000 0.975 244 N HN 0.149 8.403 8.380 -0.177 0.020 0.451 245 S N 2.754 118.134 115.700 -0.534 0.000 2.468 245 S HA 0.387 4.648 4.470 -0.348 0.000 0.190 245 S C -0.955 173.519 174.600 -0.211 0.000 1.445 245 S CA -0.661 57.329 58.200 -0.351 0.000 1.084 245 S CB -1.352 61.718 63.200 -0.217 0.000 1.175 245 S HN -0.673 7.336 8.310 -0.390 0.066 0.484 246 Y N 3.771 124.090 120.300 0.031 0.000 2.184 246 Y HA -0.434 4.157 4.550 0.068 0.000 0.290 246 Y C 1.297 177.246 175.900 0.082 0.000 1.129 246 Y CA 4.605 62.741 58.100 0.059 0.000 1.144 246 Y CB 0.071 38.565 38.460 0.056 0.000 0.995 246 Y HN -0.520 7.551 8.280 -0.349 0.000 0.513 247 D N -1.853 118.684 120.400 0.227 0.000 2.117 247 D HA -0.322 4.448 4.640 0.216 0.000 0.197 247 D C 2.109 178.535 176.300 0.211 0.000 0.987 247 D CA 3.637 57.755 54.000 0.197 0.000 0.829 247 D CB -1.238 39.653 40.800 0.151 0.000 0.961 247 D HN 0.430 8.922 8.370 0.204 0.000 0.460 248 E N 0.454 120.714 120.200 0.099 0.000 2.051 248 E HA -0.229 4.223 4.350 0.170 0.000 0.192 248 E C 2.354 179.071 176.600 0.195 0.000 0.991 248 E CA 2.726 59.157 56.400 0.051 0.000 0.799 248 E CB -0.453 29.045 29.700 -0.336 0.000 0.748 248 E HN 0.038 8.415 8.360 0.029 0.000 0.449 249 M N 0.629 120.319 119.600 0.151 0.000 2.082 249 M HA -0.506 4.102 4.480 0.213 0.000 0.258 249 M C 1.190 177.646 176.300 0.260 0.000 1.069 249 M CA 3.007 58.431 55.300 0.207 0.000 1.102 249 M CB -0.283 32.428 32.600 0.185 0.000 1.336 249 M HN 0.081 8.428 8.290 0.094 0.000 0.404 250 N N -1.380 117.473 118.700 0.254 0.000 2.084 250 N HA -0.389 4.475 4.740 0.206 0.000 0.190 250 N C 1.972 177.638 175.510 0.260 0.000 1.030 250 N CA 3.513 56.703 53.050 0.233 0.000 0.849 250 N CB 0.348 38.960 38.487 0.209 0.000 1.012 250 N HN -0.029 8.499 8.380 0.247 0.000 0.423 251 Y N 0.880 121.311 120.300 0.218 0.000 2.128 251 Y HA -0.397 4.280 4.550 0.211 0.000 0.284 251 Y C 2.145 178.231 175.900 0.309 0.000 1.154 251 Y CA 3.961 62.208 58.100 0.246 0.000 1.149 251 Y CB 0.230 38.859 38.460 0.281 0.000 0.976 251 Y HN -0.223 8.326 8.280 0.449 0.000 0.505 252 I N -1.148 119.760 120.570 0.564 0.000 2.202 252 I HA -0.610 4.050 4.170 0.817 0.000 0.242 252 I C 1.833 178.244 176.117 0.491 0.000 1.091 252 I CA 4.465 66.135 61.300 0.618 0.000 1.368 252 I CB -0.122 38.194 38.000 0.527 0.000 1.058 252 I HN -0.233 8.306 8.210 0.548 0.000 0.410 253 R N -0.500 120.204 120.500 0.341 0.000 2.096 253 R HA -0.252 4.258 4.340 0.283 0.000 0.235 253 R C 2.059 178.470 176.300 0.184 0.000 1.127 253 R CA 2.313 58.569 56.100 0.260 0.000 0.968 253 R CB -0.940 29.489 30.300 0.214 0.000 0.861 253 R HN -0.257 8.205 8.270 0.320 0.000 0.440 254 T N 1.266 115.892 114.554 0.119 0.000 2.668 254 T HA -0.329 4.025 4.350 0.007 0.000 0.262 254 T C 1.468 176.115 174.700 -0.088 0.000 1.045 254 T CA 4.821 66.918 62.100 -0.003 0.000 1.152 254 T CB -0.020 68.808 68.868 -0.066 0.000 0.864 254 T HN -0.346 7.976 8.240 0.136 0.000 0.419 255 Y N -0.097 120.019 120.300 -0.307 0.000 2.337 255 Y HA -0.210 4.043 4.550 -0.496 0.000 0.293 255 Y C -0.459 175.098 175.900 -0.572 0.000 1.123 255 Y CA 1.991 59.761 58.100 -0.550 0.000 1.201 255 Y CB 1.408 39.359 38.460 -0.849 0.000 1.011 255 Y HN -0.125 8.003 8.280 -0.066 0.112 0.545 256 F N -3.194 116.936 119.950 0.302 0.000 2.449 256 F HA 0.520 5.194 4.527 0.246 0.000 0.344 256 F C -1.779 174.130 175.800 0.182 0.000 1.180 256 F CA -3.740 54.434 58.000 0.290 0.000 1.209 256 F CB -0.884 38.391 39.000 0.458 0.000 1.440 256 F HN -0.099 8.329 8.300 0.393 0.107 0.526 257 P HA -0.045 4.746 4.420 0.166 -0.272 0.217 257 P C 0.069 177.467 177.300 0.164 0.000 1.148 257 P CA 1.766 64.960 63.100 0.156 0.000 0.828 257 P CB 0.406 32.152 31.700 0.077 0.000 0.783 258 N N -4.322 114.429 118.700 0.086 0.000 2.234 258 N HA 0.107 4.705 4.740 -0.237 0.000 0.227 258 N C -0.040 175.295 175.510 -0.292 0.000 1.151 258 N CA -0.670 52.306 53.050 -0.122 0.000 0.865 258 N CB 0.057 38.512 38.487 -0.053 0.000 1.066 258 N HN 0.121 8.550 8.380 0.120 0.023 0.515 259 C N -0.312 118.915 119.300 -0.121 0.000 2.656 259 C HA 0.167 4.518 4.460 -0.181 0.000 0.391 259 C C -0.753 173.991 174.990 -0.408 0.000 1.300 259 C CA -1.419 57.484 59.018 -0.192 0.000 2.302 259 C CB 0.922 28.648 27.740 -0.022 0.000 2.655 259 C HN -0.765 7.432 8.230 0.039 0.056 0.656 260 Y N -0.245 119.758 120.300 -0.495 0.000 2.327 260 Y HA 0.066 4.398 4.550 -0.363 0.000 0.336 260 Y C -0.620 175.218 175.900 -0.103 0.000 1.035 260 Y CA -0.510 57.340 58.100 -0.416 0.000 1.165 260 Y CB 1.026 38.973 38.460 -0.856 0.000 1.181 260 Y HN 0.329 8.490 8.280 -0.200 0.000 0.494 261 I N 1.898 122.584 120.570 0.193 0.000 2.509 261 I HA 0.553 5.126 4.170 0.350 -0.193 0.293 261 I C -1.795 174.465 176.117 0.238 0.000 1.020 261 I CA -1.616 59.848 61.300 0.273 0.000 1.088 261 I CB 3.625 41.748 38.000 0.206 0.000 1.267 261 I HN 0.686 8.843 8.210 0.108 0.118 0.430 262 L N 7.077 128.374 121.223 0.124 0.000 2.298 262 L HA 0.454 4.806 4.340 -0.170 -0.114 0.284 262 L C -2.518 174.327 176.870 -0.043 0.000 1.013 262 L CA -1.220 53.507 54.840 -0.188 0.000 0.824 262 L CB 2.699 44.294 42.059 -0.774 0.000 1.221 262 L HN 0.108 8.481 8.230 0.238 0.000 0.418 263 S N 7.878 123.564 115.700 -0.024 0.000 2.577 263 S HA 0.816 5.479 4.470 0.021 -0.180 0.294 263 S C -2.141 172.449 174.600 -0.016 0.000 1.161 263 S CA -3.638 54.567 58.200 0.007 0.000 1.143 263 S CB 0.839 64.062 63.200 0.038 0.000 0.991 263 S HN 0.651 8.940 8.310 -0.034 0.000 0.475 264 P HA 0.274 4.677 4.420 -0.028 0.000 0.279 264 P C -0.095 177.194 177.300 -0.017 0.000 1.276 264 P CA -0.319 62.771 63.100 -0.017 0.000 0.801 264 P CB 1.585 33.286 31.700 0.002 0.000 1.127 265 G N -2.456 106.332 108.800 -0.020 0.000 2.211 265 G HA2 -0.285 3.669 3.960 -0.010 0.000 0.201 265 G HA3 -0.285 3.661 3.960 -0.023 0.000 0.201 265 G C -0.223 174.665 174.900 -0.020 0.000 0.997 265 G CA -0.171 44.918 45.100 -0.018 0.000 0.652 265 G HN 0.319 8.595 8.290 -0.023 0.000 0.500 266 I N 4.126 124.676 120.570 -0.033 0.000 2.483 266 I HA 0.001 4.171 4.170 -0.000 0.000 0.291 266 I C -0.406 175.677 176.117 -0.057 0.000 1.112 266 I CA -0.185 61.093 61.300 -0.035 0.000 1.350 266 I CB -2.715 35.242 38.000 -0.072 0.000 1.419 266 I HN -0.177 8.008 8.210 -0.043 0.000 0.523 267 G N 7.068 115.862 108.800 -0.009 0.000 2.630 267 G HA2 0.158 4.111 3.960 -0.012 0.000 0.223 267 G HA3 0.158 4.131 3.960 0.021 0.000 0.223 267 G C -1.398 173.525 174.900 0.039 0.000 1.434 267 G CA -0.786 44.317 45.100 0.005 0.000 1.057 267 G HN -0.253 8.044 8.290 0.012 0.000 0.570 273 L N 5.002 126.318 121.223 0.156 0.000 2.079 273 L HA -0.243 4.172 4.340 0.124 0.000 0.210 273 L C 0.053 176.999 176.870 0.127 0.000 1.081 273 L CA 2.263 57.183 54.840 0.134 0.000 0.752 273 L CB 0.177 42.317 42.059 0.134 0.000 0.896 273 L HN 0.200 8.519 8.230 0.149 0.000 0.433 274 H N -0.369 118.724 119.070 0.039 0.000 2.319 274 H HA -0.403 4.155 4.556 0.003 0.000 0.299 274 H C 2.200 177.529 175.328 0.003 0.000 1.092 274 H CA 4.391 60.443 56.048 0.006 0.000 1.302 274 H CB 0.060 29.810 29.762 -0.020 0.000 1.373 274 H HN -0.618 7.965 8.280 0.230 -0.166 0.497 275 K N -2.371 118.149 120.400 0.200 0.000 2.097 275 K HA -0.283 4.081 4.320 0.073 0.000 0.206 275 K C 2.598 179.288 176.600 0.150 0.000 1.049 275 K CA 3.628 59.946 56.287 0.051 0.000 0.933 275 K CB -0.209 32.093 32.500 -0.331 0.000 0.717 275 K HN -0.677 7.717 8.250 0.171 -0.042 0.442 276 T N 2.725 117.427 114.554 0.247 0.000 2.701 276 T HA -0.341 4.214 4.350 0.341 0.000 0.263 276 T C 1.533 176.332 174.700 0.166 0.000 1.040 276 T CA 4.863 67.117 62.100 0.256 0.000 1.147 276 T CB 0.099 69.085 68.868 0.198 0.000 0.865 276 T HN -0.329 8.056 8.240 0.242 0.000 0.426 277 L N 0.930 122.216 121.223 0.105 0.000 2.083 277 L HA -0.315 4.088 4.340 0.105 0.000 0.209 277 L C 1.273 178.204 176.870 0.102 0.000 1.083 277 L CA 2.995 57.883 54.840 0.080 0.000 0.752 277 L CB -0.514 41.548 42.059 0.006 0.000 0.899 277 L HN -0.366 7.918 8.230 0.091 0.000 0.433 278 T N 0.623 115.201 114.554 0.041 0.000 2.737 278 T HA -0.358 3.988 4.350 -0.005 0.000 0.265 278 T C 1.518 176.291 174.700 0.122 0.000 1.038 278 T CA 4.509 66.631 62.100 0.038 0.000 1.144 278 T CB -0.125 68.759 68.868 0.026 0.000 0.866 278 T HN -0.302 7.949 8.240 0.018 0.000 0.434 279 N N -0.076 118.711 118.700 0.145 0.000 2.188 279 N HA -0.191 4.640 4.740 0.153 0.000 0.184 279 N C 1.929 177.554 175.510 0.192 0.000 1.018 279 N CA 3.188 56.341 53.050 0.172 0.000 0.858 279 N CB -0.111 38.502 38.487 0.210 0.000 0.989 279 N HN -0.523 7.945 8.380 0.146 0.000 0.426 280 G N -1.614 107.302 108.800 0.193 0.000 2.623 280 G HA2 -0.114 3.960 3.960 0.189 0.000 0.214 280 G HA3 -0.114 3.947 3.960 0.167 0.000 0.214 280 G C -0.634 174.379 174.900 0.187 0.000 1.138 280 G CA -0.185 45.025 45.100 0.184 0.000 0.794 280 G HN 0.003 8.404 8.290 0.185 0.000 0.535 281 Y N 2.282 122.633 120.300 0.084 0.000 2.993 281 Y HA -0.439 4.150 4.550 0.078 0.007 0.340 281 Y C -1.740 174.236 175.900 0.127 0.000 1.273 281 Y CA 2.059 60.204 58.100 0.075 0.000 1.545 281 Y CB 0.373 38.843 38.460 0.018 0.000 1.275 281 Y HN -0.675 7.637 8.280 0.300 0.148 0.617 282 H N 6.345 124.885 119.070 -0.883 0.000 3.029 282 H HA 0.094 4.316 4.556 -0.558 0.000 0.358 282 H C -0.372 174.383 175.328 -0.956 0.000 1.129 282 H CA -0.979 54.629 56.048 -0.734 0.000 1.230 282 H CB 2.800 32.342 29.762 -0.367 0.000 1.827 282 H HN 0.125 7.890 8.280 -0.858 0.000 0.530 283 K N 2.505 122.464 120.400 -0.736 0.000 2.074 283 K HA -0.293 3.945 4.320 -0.137 0.000 0.209 283 K C 0.546 177.104 176.600 -0.070 0.000 1.048 283 K CA 2.208 58.350 56.287 -0.242 0.000 0.926 283 K CB -0.406 32.034 32.500 -0.100 0.000 0.713 283 K HN 0.245 8.009 8.250 -0.809 0.000 0.444 284 S N 3.566 119.284 115.700 0.031 0.000 3.517 284 S HA 0.124 4.435 4.470 -0.265 0.000 0.284 284 S C -0.040 174.431 174.600 -0.215 0.000 1.260 284 S CA 0.171 58.294 58.200 -0.127 0.000 0.975 284 S CB -2.106 61.026 63.200 -0.113 0.000 1.540 284 S HN -0.593 7.858 8.310 0.236 0.000 0.506 285 Y N 1.956 122.176 120.300 -0.134 0.000 2.578 285 Y HA 0.038 4.543 4.550 -0.204 -0.078 0.297 285 Y C 1.169 177.006 175.900 -0.105 0.000 1.176 285 Y CA 0.195 58.203 58.100 -0.153 0.000 1.315 285 Y CB -0.691 37.700 38.460 -0.114 0.000 1.031 285 Y HN -0.322 7.530 8.280 -0.714 0.000 0.524 286 E N 0.327 120.413 120.200 -0.191 0.000 2.472 286 E HA -0.256 4.098 4.350 0.008 0.000 0.200 286 E C 0.194 176.742 176.600 -0.086 0.000 1.046 286 E CA 1.830 58.180 56.400 -0.083 0.000 0.871 286 E CB -1.648 27.987 29.700 -0.109 0.000 0.806 286 E HN 0.409 8.518 8.360 -0.357 0.037 0.533 287 K N -2.125 118.110 120.400 -0.275 0.000 2.525 287 K HA -0.058 3.994 4.320 -0.446 0.000 0.192 287 K C -0.665 175.857 176.600 -0.131 0.000 1.029 287 K CA 0.676 56.712 56.287 -0.418 0.000 1.029 287 K CB 0.410 32.411 32.500 -0.832 0.000 0.814 287 K HN -0.483 7.539 8.250 -0.318 0.037 0.503 288 I N 0.383 120.944 120.570 -0.016 0.000 2.782 288 I HA 0.195 4.518 4.170 0.063 -0.115 0.279 288 I C -2.233 173.927 176.117 0.072 0.000 1.247 288 I CA -1.915 59.416 61.300 0.052 0.000 1.062 288 I CB 0.769 38.807 38.000 0.065 0.000 1.421 288 I HN -0.673 7.375 8.210 -0.003 0.160 0.558 289 L N 6.440 127.705 121.223 0.071 0.000 2.433 289 L HA 0.017 4.542 4.340 0.061 -0.149 0.275 289 L C -0.946 175.931 176.870 0.012 0.000 1.128 289 L CA -0.110 54.757 54.840 0.045 0.000 0.875 289 L CB 0.330 42.403 42.059 0.024 0.000 1.171 289 L HN 0.347 8.630 8.230 0.087 0.000 0.463 290 I N 4.179 124.756 120.570 0.011 0.000 2.307 290 I HA 0.226 4.392 4.170 -0.006 0.000 0.287 290 I C -0.988 175.099 176.117 -0.049 0.000 1.054 290 I CA -2.955 58.339 61.300 -0.010 0.000 1.218 290 I CB -1.322 36.679 38.000 0.001 0.000 1.398 290 I HN 0.215 8.438 8.210 0.022 0.000 0.475 291 N N 8.836 127.499 118.700 -0.062 0.000 2.458 291 N HA 0.298 5.212 4.740 -0.091 -0.228 0.270 291 N C -1.261 174.177 175.510 -0.120 0.000 1.102 291 N CA 0.159 53.159 53.050 -0.084 0.000 0.967 291 N CB 1.588 40.036 38.487 -0.065 0.000 1.078 291 N HN -0.050 8.299 8.380 -0.052 0.000 0.471 292 I N 3.939 124.413 120.570 -0.160 0.000 2.468 292 I HA 0.397 4.436 4.170 -0.218 0.000 0.284 292 I C -0.306 175.719 176.117 -0.153 0.000 1.038 292 I CA -2.273 58.891 61.300 -0.226 0.000 1.083 292 I CB 0.573 38.312 38.000 -0.436 0.000 1.223 292 I HN 0.459 8.577 8.210 -0.153 0.000 0.443 293 G N 5.049 113.787 108.800 -0.104 0.000 2.534 293 G HA2 0.174 4.284 3.960 -0.051 0.000 0.224 293 G HA3 0.174 4.101 3.960 -0.055 0.000 0.224 293 G C 1.012 175.893 174.900 -0.032 0.000 1.822 293 G CA 0.248 45.312 45.100 -0.060 0.000 0.805 293 G HN 0.384 8.614 8.290 -0.100 0.000 0.649 294 R N 2.651 123.137 120.500 -0.024 0.000 2.127 294 R HA -0.259 4.095 4.340 0.024 0.000 0.238 294 R C 2.391 178.719 176.300 0.046 0.000 1.134 294 R CA 3.018 59.127 56.100 0.015 0.000 0.975 294 R CB -0.482 29.831 30.300 0.022 0.000 0.865 294 R HN 0.181 8.432 8.270 -0.031 0.000 0.447 295 A N -3.697 119.137 122.820 0.023 0.000 2.070 295 A HA -0.188 4.195 4.320 0.105 0.000 0.220 295 A C 0.669 178.342 177.584 0.148 0.000 1.159 295 A CA 2.218 54.301 52.037 0.078 0.000 0.656 295 A CB -0.792 18.218 19.000 0.017 0.000 0.800 295 A HN 0.286 8.409 8.150 -0.018 0.016 0.453 296 I N -3.849 116.776 120.570 0.091 0.000 2.729 296 I HA -0.108 4.167 4.170 0.174 0.000 0.256 296 I C 1.602 177.792 176.117 0.123 0.000 1.115 296 I CA 2.251 63.625 61.300 0.122 0.000 1.446 296 I CB 1.355 39.399 38.000 0.073 0.000 1.176 296 I HN -0.485 7.619 8.210 0.033 0.127 0.446 297 T N -2.638 111.983 114.554 0.112 0.000 3.023 297 T HA -0.214 4.231 4.350 0.157 0.000 0.266 297 T C 1.112 175.963 174.700 0.252 0.000 1.093 297 T CA 2.819 65.024 62.100 0.175 0.000 1.129 297 T CB 0.324 69.298 68.868 0.178 0.000 0.899 297 T HN -0.211 8.080 8.240 0.084 0.000 0.491 298 K N -1.389 119.116 120.400 0.174 0.000 2.397 298 K HA 0.131 4.559 4.320 0.180 0.000 0.202 298 K C -0.502 176.187 176.600 0.149 0.000 1.022 298 K CA -0.660 55.721 56.287 0.157 0.000 1.141 298 K CB 0.273 32.837 32.500 0.106 0.000 0.857 298 K HN -0.328 7.896 8.250 0.138 0.108 0.514 299 N N 1.554 120.354 118.700 0.166 0.000 2.525 299 N HA 0.126 4.951 4.740 0.142 0.000 0.271 299 N C -0.924 174.697 175.510 0.186 0.000 1.194 299 N CA -1.637 51.511 53.050 0.163 0.000 0.964 299 N CB 1.194 39.783 38.487 0.170 0.000 1.126 299 N HN -0.731 7.582 8.380 0.173 0.170 0.452 300 P HA -0.181 4.326 4.420 0.145 0.000 0.225 300 P C -1.470 175.953 177.300 0.204 0.000 1.148 300 P CA 1.183 64.378 63.100 0.158 0.000 0.779 300 P CB 0.443 32.215 31.700 0.119 0.000 0.780 301 Y N -1.430 118.940 120.300 0.117 0.000 2.544 301 Y HA 0.449 5.090 4.550 0.153 0.000 0.347 301 Y C -2.383 173.569 175.900 0.086 0.000 1.089 301 Y CA -3.213 54.955 58.100 0.114 0.000 1.230 301 Y CB 1.629 40.136 38.460 0.078 0.000 1.101 301 Y HN -0.257 8.524 8.280 0.297 -0.322 0.641 302 P HA -0.325 4.335 4.420 0.152 -0.149 0.216 302 P C 0.956 178.327 177.300 0.117 0.000 1.154 302 P CA 2.541 65.741 63.100 0.167 0.000 0.865 302 P CB 0.347 32.074 31.700 0.045 0.000 0.789 303 Q N -3.748 116.153 119.800 0.169 0.000 2.061 303 Q HA -0.396 4.021 4.340 0.128 0.000 0.204 303 Q C 1.980 177.909 176.000 -0.118 0.000 0.984 303 Q CA 3.399 59.257 55.803 0.092 0.000 0.846 303 Q CB -0.640 28.201 28.738 0.173 0.000 0.902 303 Q HN 0.402 8.845 8.270 0.288 0.000 0.421 304 K N -1.508 118.735 120.400 -0.263 0.000 2.057 304 K HA -0.163 3.942 4.320 -0.358 0.000 0.206 304 K C 2.399 178.860 176.600 -0.232 0.000 1.050 304 K CA 2.131 58.210 56.287 -0.346 0.000 0.935 304 K CB -0.732 31.480 32.500 -0.480 0.000 0.715 304 K HN -0.582 7.492 8.250 -0.293 0.000 0.439 305 A N -1.446 121.312 122.820 -0.104 0.000 1.933 305 A HA -0.261 3.977 4.320 -0.136 0.000 0.218 305 A C 1.514 179.083 177.584 -0.026 0.000 1.175 305 A CA 2.996 55.002 52.037 -0.051 0.000 0.628 305 A CB -0.892 18.172 19.000 0.106 0.000 0.814 305 A HN -0.181 7.949 8.150 -0.033 0.000 0.444 306 A N -2.044 120.730 122.820 -0.077 0.000 1.872 306 A HA -0.303 4.064 4.320 0.078 0.000 0.214 306 A C 1.938 179.243 177.584 -0.466 0.000 1.187 306 A CA 2.868 54.834 52.037 -0.119 0.000 0.614 306 A CB -0.830 18.137 19.000 -0.055 0.000 0.826 306 A HN -0.099 7.998 8.150 -0.089 0.000 0.442 307 Q N -0.087 119.140 119.800 -0.956 0.000 2.061 307 Q HA -0.404 3.112 4.340 -1.374 0.000 0.204 307 Q C 1.911 177.726 176.000 -0.310 0.000 0.984 307 Q CA 3.196 58.430 55.803 -0.949 0.000 0.846 307 Q CB -0.147 28.175 28.738 -0.694 0.000 0.902 307 Q HN -0.400 7.330 8.270 -0.899 0.000 0.421 308 M N 0.182 119.608 119.600 -0.291 0.000 2.082 308 M HA -0.449 3.906 4.480 -0.208 0.000 0.258 308 M C 2.118 178.282 176.300 -0.228 0.000 1.071 308 M CA 4.197 59.332 55.300 -0.276 0.000 1.103 308 M CB 0.068 32.423 32.600 -0.408 0.000 1.307 308 M HN -0.295 7.803 8.290 -0.320 0.000 0.409 309 Y N -3.652 116.612 120.300 -0.059 0.000 2.224 309 Y HA -0.321 4.213 4.550 -0.027 0.000 0.289 309 Y C 2.445 178.344 175.900 -0.002 0.000 1.146 309 Y CA 2.523 60.606 58.100 -0.027 0.000 1.182 309 Y CB -0.894 37.552 38.460 -0.022 0.000 0.983 309 Y HN -0.484 7.680 8.280 -0.194 0.000 0.524 310 Y N 1.786 122.094 120.300 0.013 0.000 2.128 310 Y HA -0.455 4.126 4.550 0.052 0.000 0.284 310 Y C 1.604 177.500 175.900 -0.006 0.000 1.154 310 Y CA 3.165 61.272 58.100 0.011 0.000 1.149 310 Y CB 0.131 38.596 38.460 0.008 0.000 0.976 310 Y HN 0.102 8.502 8.280 0.199 0.000 0.505 311 D N -2.221 118.220 120.400 0.069 0.000 2.178 311 D HA -0.262 4.336 4.640 -0.071 0.000 0.202 311 D C 2.783 179.033 176.300 -0.083 0.000 0.974 311 D CA 3.340 57.325 54.000 -0.026 0.000 0.841 311 D CB -0.636 40.176 40.800 0.019 0.000 0.953 311 D HN 0.175 8.613 8.370 0.115 0.000 0.478 312 Q N -0.123 119.642 119.800 -0.058 0.000 2.083 312 Q HA -0.230 4.081 4.340 -0.049 0.000 0.198 312 Q C 2.650 178.609 176.000 -0.068 0.000 0.969 312 Q CA 2.932 58.709 55.803 -0.045 0.000 0.838 312 Q CB 0.263 28.997 28.738 -0.006 0.000 0.900 312 Q HN -0.479 7.766 8.270 -0.041 0.000 0.436 313 I N 0.272 120.800 120.570 -0.071 0.000 2.163 313 I HA -0.638 3.475 4.170 -0.096 0.000 0.243 313 I C 1.447 177.435 176.117 -0.214 0.000 1.085 313 I CA 4.806 66.034 61.300 -0.120 0.000 1.347 313 I CB -0.185 37.757 38.000 -0.096 0.000 1.044 313 I HN -0.054 8.135 8.210 -0.035 0.000 0.408 314 N N -0.583 117.948 118.700 -0.282 0.000 2.223 314 N HA -0.380 4.148 4.740 -0.353 0.000 0.185 314 N C 1.786 177.170 175.510 -0.209 0.000 1.016 314 N CA 3.631 56.496 53.050 -0.309 0.000 0.863 314 N CB 0.164 38.430 38.487 -0.369 0.000 0.983 314 N HN -0.395 7.802 8.380 -0.305 0.000 0.429 315 A N -0.196 122.530 122.820 -0.157 0.000 1.930 315 A HA -0.136 4.121 4.320 -0.105 0.000 0.215 315 A C 2.229 179.732 177.584 -0.134 0.000 1.176 315 A CA 2.788 54.757 52.037 -0.115 0.000 0.632 315 A CB -0.476 18.479 19.000 -0.075 0.000 0.819 315 A HN -0.627 7.321 8.150 -0.148 0.114 0.445 316 I N -0.760 119.710 120.570 -0.168 0.000 2.353 316 I HA -0.409 3.612 4.170 -0.248 0.000 0.248 316 I C 2.002 177.972 176.117 -0.244 0.000 1.119 316 I CA 3.912 65.067 61.300 -0.242 0.000 1.417 316 I CB 0.167 37.981 38.000 -0.309 0.000 1.078 316 I HN -0.635 7.479 8.210 -0.160 0.000 0.421 317 L N -0.538 120.549 121.223 -0.226 0.000 2.017 317 L HA -0.499 3.761 4.340 -0.134 0.000 0.208 317 L C 2.000 178.766 176.870 -0.174 0.000 1.073 317 L CA 3.788 58.499 54.840 -0.215 0.000 0.745 317 L CB -0.687 41.116 42.059 -0.426 0.000 0.894 317 L HN -0.032 8.057 8.230 -0.235 0.000 0.432 318 K N -2.252 118.052 120.400 -0.159 0.000 2.097 318 K HA -0.328 3.946 4.320 -0.077 0.000 0.206 318 K C 2.766 179.298 176.600 -0.115 0.000 1.049 318 K CA 3.032 59.256 56.287 -0.105 0.000 0.933 318 K CB -0.637 31.812 32.500 -0.085 0.000 0.717 318 K HN -0.519 7.629 8.250 -0.171 0.000 0.442 319 Q N -1.275 118.440 119.800 -0.142 0.000 2.170 319 Q HA -0.255 4.023 4.340 -0.103 0.000 0.203 319 Q C 2.158 178.037 176.000 -0.202 0.000 0.976 319 Q CA 2.574 58.294 55.803 -0.139 0.000 0.858 319 Q CB -0.087 28.581 28.738 -0.118 0.000 0.907 319 Q HN -0.556 7.624 8.270 -0.150 0.000 0.433 320 N N -1.430 117.069 118.700 -0.335 0.000 2.250 320 N HA -0.166 4.293 4.740 -0.470 0.000 0.181 320 N C 1.662 176.925 175.510 -0.411 0.000 1.017 320 N CA 2.241 54.948 53.050 -0.572 0.000 0.866 320 N CB 0.452 38.155 38.487 -1.307 0.000 0.985 320 N HN -0.456 7.631 8.380 -0.342 0.087 0.429 321 M N -0.673 118.803 119.600 -0.206 0.000 2.149 321 M HA -0.260 4.253 4.480 0.055 0.000 0.261 321 M C 1.233 177.506 176.300 -0.044 0.000 1.064 321 M CA 3.356 58.642 55.300 -0.024 0.000 1.102 321 M CB 0.467 33.088 32.600 0.034 0.000 1.369 321 M HN 0.064 8.239 8.290 -0.192 0.000 0.408 322 E N 0.000 120.157 120.200 -0.072 0.000 2.725 322 E HA 0.000 4.329 4.350 -0.034 0.000 0.291 322 E CA 0.000 56.369 56.400 -0.052 0.000 0.976 322 E CB 0.000 29.669 29.700 -0.051 0.000 0.812 322 E HN 0.000 8.286 8.360 -0.096 0.016 0.440