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 1kqp_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMQEKIMREL HVKPSIDPKQ EIEDRVNFLK QYVKKTGAKG FVLGISGGQD DATA SEQUENCE STLAGRLAQL AVESIREEGG DAQFIAVRLP HGTQQDEDDA QLALKFIKPD DATA SEQUENCE KSWKFDIKST VSAFSDQYQQ ETGDQLTDFN KGNVKARTRM IAQYAIGGQE DATA SEQUENCE GLLVLGTDHA AEAVTGFFTK YGDGGADLLP LTGLTKRQGR TLLKELGAPE DATA SEQUENCE RLYLKEPTAD LLDEKPQQSD ETELGISYDE IDDYLEGKEV SAKVSEALEK DATA SEQUENCE RYSMTEHKRQ VPASMFDDWW K 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 S HA 0.000 4.463 4.470 -0.011 0.000 0.327 1 S C 0.000 174.585 174.600 -0.025 0.000 1.055 1 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 1 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 2 M N 2.523 122.124 119.600 0.001 0.000 2.213 2 M HA -0.285 4.198 4.480 0.005 0.000 0.263 2 M C 1.231 177.519 176.300 -0.020 0.000 1.062 2 M CA 2.604 57.911 55.300 0.012 0.000 1.105 2 M CB -0.290 32.344 32.600 0.057 0.000 1.385 2 M HN 0.591 8.888 8.290 0.013 0.000 0.417 3 Q N -0.192 119.574 119.800 -0.056 0.000 2.061 3 Q HA -0.408 3.754 4.340 -0.295 0.000 0.204 3 Q C 2.197 178.034 176.000 -0.271 0.000 0.984 3 Q CA 3.438 59.062 55.803 -0.300 0.000 0.846 3 Q CB -0.518 27.907 28.738 -0.521 0.000 0.902 3 Q HN 0.291 8.526 8.270 -0.031 0.016 0.421 4 E N -1.434 118.660 120.200 -0.176 0.000 2.110 4 E HA -0.357 3.900 4.350 -0.156 0.000 0.193 4 E C 2.313 178.847 176.600 -0.110 0.000 0.988 4 E CA 2.773 59.092 56.400 -0.135 0.000 0.804 4 E CB -0.278 29.367 29.700 -0.092 0.000 0.745 4 E HN -0.510 7.762 8.360 -0.147 0.000 0.458 5 K N 0.110 120.457 120.400 -0.088 0.000 2.026 5 K HA -0.268 4.020 4.320 -0.054 0.000 0.208 5 K C 2.399 178.935 176.600 -0.108 0.000 1.048 5 K CA 3.238 59.484 56.287 -0.067 0.000 0.929 5 K CB -0.090 32.393 32.500 -0.027 0.000 0.713 5 K HN -0.707 7.480 8.250 -0.081 0.015 0.439 6 I N -0.837 119.626 120.570 -0.179 0.000 2.226 6 I HA -0.507 3.441 4.170 -0.370 0.000 0.245 6 I C 2.078 178.078 176.117 -0.195 0.000 1.100 6 I CA 4.115 65.228 61.300 -0.312 0.000 1.374 6 I CB -0.018 37.712 38.000 -0.450 0.000 1.057 6 I HN -0.159 7.954 8.210 -0.161 0.000 0.413 7 M N -1.163 118.339 119.600 -0.162 0.000 2.108 7 M HA -0.538 3.881 4.480 -0.102 0.000 0.261 7 M C 2.356 178.591 176.300 -0.109 0.000 1.066 7 M CA 4.684 59.910 55.300 -0.123 0.000 1.107 7 M CB -0.329 32.193 32.600 -0.131 0.000 1.356 7 M HN -0.293 7.888 8.290 -0.182 0.000 0.406 8 R N -2.104 118.331 120.500 -0.108 0.000 2.066 8 R HA -0.292 4.004 4.340 -0.073 0.000 0.232 8 R C 3.242 179.426 176.300 -0.193 0.000 1.131 8 R CA 3.552 59.592 56.100 -0.099 0.000 0.955 8 R CB -0.183 30.079 30.300 -0.063 0.000 0.851 8 R HN -0.336 7.870 8.270 -0.108 0.000 0.432 9 E N -0.006 120.087 120.200 -0.179 0.000 2.150 9 E HA -0.247 3.951 4.350 -0.252 0.000 0.193 9 E C 1.797 178.144 176.600 -0.421 0.000 0.985 9 E CA 2.534 58.799 56.400 -0.225 0.000 0.814 9 E CB -0.062 29.627 29.700 -0.018 0.000 0.752 9 E HN -0.304 7.977 8.360 -0.133 0.000 0.466 10 L N -4.587 116.474 121.223 -0.271 0.000 2.592 10 L HA 0.008 4.251 4.340 -0.162 0.000 0.227 10 L C -0.727 176.062 176.870 -0.135 0.000 1.127 10 L CA -0.417 54.320 54.840 -0.173 0.000 0.884 10 L CB -0.038 42.020 42.059 -0.001 0.000 1.065 10 L HN -0.413 7.679 8.230 -0.194 0.021 0.457 11 H N -6.693 112.376 119.070 -0.002 0.000 2.886 11 H HA -0.354 4.189 4.556 -0.022 0.000 0.294 11 H C -1.164 174.154 175.328 -0.018 0.000 1.246 11 H CA 0.804 56.840 56.048 -0.018 0.000 1.142 11 H CB -3.389 26.353 29.762 -0.033 0.000 1.358 11 H HN -0.561 7.323 8.280 -0.376 0.170 0.406 12 V N -0.208 119.731 119.914 0.041 0.000 2.465 12 V HA 0.023 4.330 4.120 0.040 -0.164 0.279 12 V C -0.185 175.912 176.094 0.005 0.000 1.045 12 V CA -0.301 62.014 62.300 0.025 0.000 0.938 12 V CB 1.019 32.848 31.823 0.010 0.000 0.986 12 V HN -0.610 7.581 8.190 0.001 0.000 0.467 13 K N 8.314 128.716 120.400 0.003 0.000 2.130 13 K HA 0.355 4.668 4.320 -0.012 0.000 0.268 13 K C -1.373 175.216 176.600 -0.018 0.000 0.983 13 K CA -2.266 54.016 56.287 -0.010 0.000 0.893 13 K CB -0.371 32.123 32.500 -0.009 0.000 1.066 13 K HN 0.145 8.400 8.250 0.009 0.000 0.450 14 P HA -0.122 4.387 4.420 -0.030 -0.107 0.218 14 P C -1.161 176.125 177.300 -0.023 0.000 1.149 14 P CA 0.982 64.066 63.100 -0.028 0.000 0.817 14 P CB 0.567 32.247 31.700 -0.033 0.000 0.785 15 S N -1.701 113.987 115.700 -0.021 0.000 2.538 15 S HA 0.144 4.601 4.470 -0.022 0.000 0.288 15 S C -1.390 173.197 174.600 -0.021 0.000 1.108 15 S CA -1.254 56.934 58.200 -0.021 0.000 0.971 15 S CB 1.807 64.995 63.200 -0.020 0.000 1.041 15 S HN -0.602 7.669 8.310 -0.021 0.026 0.483 16 I N -2.305 118.251 120.570 -0.024 0.000 2.957 16 I HA 0.275 4.432 4.170 -0.021 0.000 0.310 16 I C -1.535 174.568 176.117 -0.024 0.000 1.063 16 I CA -0.963 60.322 61.300 -0.024 0.000 1.033 16 I CB 2.550 40.533 38.000 -0.029 0.000 1.230 16 I HN -0.089 8.106 8.210 -0.026 0.000 0.447 17 D N 3.132 123.519 120.400 -0.022 0.000 2.427 17 D HA 0.449 5.076 4.640 -0.021 0.000 0.226 17 D C -0.632 175.654 176.300 -0.023 0.000 1.076 17 D CA -3.832 50.155 54.000 -0.020 0.000 0.849 17 D CB 0.990 41.781 40.800 -0.016 0.000 1.052 17 D HN 0.204 8.561 8.370 -0.021 0.000 0.515 18 P HA -0.222 4.177 4.420 -0.034 0.000 0.216 18 P C 1.430 178.718 177.300 -0.021 0.000 1.150 18 P CA 1.653 64.735 63.100 -0.030 0.000 0.837 18 P CB 0.582 32.260 31.700 -0.037 0.000 0.786 19 K N -3.175 117.216 120.400 -0.015 0.000 2.057 19 K HA -0.373 3.943 4.320 -0.007 0.000 0.207 19 K C 2.366 178.960 176.600 -0.009 0.000 1.049 19 K CA 3.747 60.028 56.287 -0.009 0.000 0.931 19 K CB -0.608 31.888 32.500 -0.006 0.000 0.714 19 K HN -0.498 7.814 8.250 -0.016 -0.072 0.440 20 Q N -0.566 119.228 119.800 -0.011 0.000 2.119 20 Q HA -0.294 4.042 4.340 -0.007 0.000 0.201 20 Q C 2.112 178.105 176.000 -0.012 0.000 0.972 20 Q CA 2.789 58.586 55.803 -0.010 0.000 0.847 20 Q CB -0.605 28.127 28.738 -0.010 0.000 0.903 20 Q HN -0.409 8.138 8.270 -0.012 -0.284 0.433 21 E N -0.217 119.973 120.200 -0.017 0.000 2.058 21 E HA -0.282 4.054 4.350 -0.022 0.000 0.194 21 E C 2.654 179.244 176.600 -0.017 0.000 0.997 21 E CA 2.887 59.274 56.400 -0.021 0.000 0.801 21 E CB -0.363 29.320 29.700 -0.028 0.000 0.746 21 E HN -0.410 7.939 8.360 -0.018 0.000 0.450 22 I N -0.192 120.370 120.570 -0.015 0.000 2.163 22 I HA -0.538 3.623 4.170 -0.015 0.000 0.243 22 I C 2.021 178.135 176.117 -0.006 0.000 1.085 22 I CA 4.396 65.689 61.300 -0.011 0.000 1.347 22 I CB -0.209 37.787 38.000 -0.007 0.000 1.044 22 I HN -0.228 7.973 8.210 -0.015 0.000 0.408 23 E N -0.770 119.429 120.200 -0.002 0.000 2.058 23 E HA -0.393 3.959 4.350 0.003 0.000 0.194 23 E C 2.764 179.373 176.600 0.014 0.000 0.997 23 E CA 2.951 59.353 56.400 0.004 0.000 0.801 23 E CB -0.908 28.794 29.700 0.003 0.000 0.746 23 E HN -0.562 7.796 8.360 -0.004 0.000 0.450 24 D N -0.831 119.576 120.400 0.010 0.000 2.123 24 D HA -0.242 4.414 4.640 0.027 0.000 0.196 24 D C 2.710 179.042 176.300 0.052 0.000 0.992 24 D CA 3.280 57.292 54.000 0.020 0.000 0.833 24 D CB -0.545 40.251 40.800 -0.007 0.000 0.954 24 D HN -0.026 8.345 8.370 0.002 0.000 0.455 25 R N -1.212 119.310 120.500 0.035 0.000 2.093 25 R HA -0.235 4.176 4.340 0.119 0.000 0.224 25 R C 2.366 178.710 176.300 0.073 0.000 1.101 25 R CA 3.267 59.408 56.100 0.069 0.000 0.979 25 R CB 0.153 30.460 30.300 0.011 0.000 0.877 25 R HN -0.492 7.769 8.270 0.014 0.018 0.441 26 V N 0.585 120.509 119.914 0.016 0.000 2.343 26 V HA -0.452 3.641 4.120 -0.044 0.000 0.247 26 V C 1.462 177.568 176.094 0.020 0.000 1.051 26 V CA 3.766 66.061 62.300 -0.009 0.000 1.036 26 V CB -0.662 31.150 31.823 -0.018 0.000 0.654 26 V HN 0.039 8.233 8.190 0.008 0.000 0.451 27 N N -0.594 118.135 118.700 0.048 0.000 2.166 27 N HA -0.367 4.398 4.740 0.040 0.000 0.186 27 N C 1.939 177.512 175.510 0.107 0.000 1.019 27 N CA 3.274 56.361 53.050 0.063 0.000 0.856 27 N CB 0.020 38.542 38.487 0.059 0.000 0.993 27 N HN -0.109 8.298 8.380 0.045 0.000 0.426 28 F N 2.313 122.262 119.950 -0.001 0.000 2.069 28 F HA -0.269 4.281 4.527 0.038 0.000 0.298 28 F C 1.245 177.081 175.800 0.060 0.000 1.113 28 F CA 2.778 60.789 58.000 0.018 0.000 1.214 28 F CB -0.041 38.944 39.000 -0.025 0.000 0.978 28 F HN -0.296 8.153 8.300 0.249 0.000 0.474 29 L N -1.898 119.137 121.223 -0.313 0.000 2.042 29 L HA -0.598 3.364 4.340 -0.631 0.000 0.210 29 L C 2.204 179.051 176.870 -0.038 0.000 1.076 29 L CA 3.373 58.006 54.840 -0.345 0.000 0.749 29 L CB -0.615 41.262 42.059 -0.304 0.000 0.893 29 L HN -0.439 7.740 8.230 -0.084 0.000 0.432 30 K N -1.809 118.588 120.400 -0.004 0.000 2.026 30 K HA -0.434 3.915 4.320 0.049 0.000 0.208 30 K C 2.306 178.907 176.600 0.001 0.000 1.048 30 K CA 3.623 59.924 56.287 0.023 0.000 0.929 30 K CB -0.407 32.103 32.500 0.016 0.000 0.713 30 K HN -0.241 7.999 8.250 -0.017 0.000 0.439 31 Q N -0.604 119.195 119.800 -0.002 0.000 2.124 31 Q HA -0.319 4.018 4.340 -0.005 0.000 0.202 31 Q C 2.253 178.238 176.000 -0.026 0.000 0.977 31 Q CA 3.186 58.991 55.803 0.004 0.000 0.850 31 Q CB 0.057 28.831 28.738 0.060 0.000 0.901 31 Q HN -0.216 8.056 8.270 0.003 0.000 0.429 32 Y N 0.554 120.746 120.300 -0.180 0.000 2.200 32 Y HA -0.417 4.074 4.550 -0.100 0.000 0.290 32 Y C 2.019 177.860 175.900 -0.098 0.000 1.137 32 Y CA 3.777 61.773 58.100 -0.173 0.000 1.163 32 Y CB 0.261 38.478 38.460 -0.405 0.000 0.988 32 Y HN -0.190 8.043 8.280 -0.054 0.015 0.518 33 V N -0.680 119.269 119.914 0.058 0.000 2.343 33 V HA -0.494 3.598 4.120 -0.047 0.000 0.247 33 V C 2.315 178.354 176.094 -0.093 0.000 1.051 33 V CA 3.943 66.216 62.300 -0.045 0.000 1.036 33 V CB -0.691 31.073 31.823 -0.098 0.000 0.654 33 V HN -0.379 7.873 8.190 0.104 0.000 0.451 34 K N -1.028 119.325 120.400 -0.078 0.000 2.026 34 K HA -0.275 4.002 4.320 -0.072 0.000 0.208 34 K C 2.207 178.746 176.600 -0.102 0.000 1.048 34 K CA 2.606 58.847 56.287 -0.077 0.000 0.929 34 K CB -0.576 31.893 32.500 -0.052 0.000 0.713 34 K HN -0.309 7.906 8.250 -0.058 0.000 0.439 35 K N -2.309 118.007 120.400 -0.140 0.000 2.097 35 K HA -0.151 4.099 4.320 -0.117 0.000 0.205 35 K C 1.736 178.226 176.600 -0.184 0.000 1.050 35 K CA 2.440 58.630 56.287 -0.163 0.000 0.938 35 K CB 0.057 32.427 32.500 -0.218 0.000 0.718 35 K HN -0.328 7.834 8.250 -0.146 0.000 0.442 36 T N -6.606 107.812 114.554 -0.228 0.000 3.040 36 T HA 0.098 4.345 4.350 -0.172 0.000 0.250 36 T C 1.505 176.139 174.700 -0.110 0.000 1.058 36 T CA -0.263 61.724 62.100 -0.188 0.000 0.988 36 T CB 1.438 70.161 68.868 -0.241 0.000 0.993 36 T HN -0.558 7.511 8.240 -0.243 0.025 0.519 37 G N 2.213 110.951 108.800 -0.103 0.000 2.147 37 G HA2 -0.381 3.531 3.960 -0.080 0.000 0.244 37 G HA3 -0.381 3.537 3.960 -0.070 0.000 0.244 37 G C -0.399 174.451 174.900 -0.085 0.000 1.005 37 G CA 0.153 45.204 45.100 -0.082 0.000 0.713 37 G HN -0.520 7.701 8.290 -0.116 0.000 0.515 38 A N -0.965 121.796 122.820 -0.099 0.000 2.425 38 A HA -0.203 4.063 4.320 -0.090 0.000 0.242 38 A C -0.970 176.515 177.584 -0.165 0.000 1.077 38 A CA 0.186 52.153 52.037 -0.116 0.000 0.781 38 A CB 0.652 19.588 19.000 -0.107 0.000 1.020 38 A HN -0.804 7.252 8.150 -0.102 0.033 0.494 39 K N 1.241 121.536 120.400 -0.175 0.000 2.393 39 K HA 0.093 4.318 4.320 -0.158 0.000 0.193 39 K C -0.264 176.171 176.600 -0.275 0.000 1.026 39 K CA 0.363 56.541 56.287 -0.183 0.000 1.064 39 K CB 1.082 33.505 32.500 -0.129 0.000 0.833 39 K HN 0.062 8.220 8.250 -0.154 0.000 0.521 40 G N -4.535 103.995 108.800 -0.450 0.000 2.291 40 G HA2 -0.038 3.249 3.960 -1.122 0.000 0.249 40 G HA3 -0.038 3.874 3.960 -0.465 -0.231 0.249 40 G C -2.556 171.877 174.900 -0.778 0.000 1.340 40 G CA -0.417 44.239 45.100 -0.741 0.000 1.017 40 G HN -0.724 7.257 8.290 -0.429 0.051 0.470 41 F N -3.055 116.899 119.950 0.006 0.000 2.599 41 F HA 1.031 5.753 4.527 -0.040 -0.219 0.311 41 F C -1.756 174.101 175.800 0.095 0.000 1.076 41 F CA -1.514 56.501 58.000 0.026 0.000 0.937 41 F CB 5.045 44.043 39.000 -0.004 0.000 1.282 41 F HN -0.012 8.216 8.300 -0.121 0.000 0.460 42 V N 0.506 120.552 119.914 0.219 0.000 2.735 42 V HA 1.157 5.545 4.120 0.049 -0.238 0.310 42 V C -2.489 173.687 176.094 0.136 0.000 1.061 42 V CA -3.064 59.279 62.300 0.071 0.000 0.913 42 V CB 4.443 36.188 31.823 -0.129 0.000 1.005 42 V HN 0.601 8.902 8.190 0.184 0.000 0.428 43 L N 7.356 128.668 121.223 0.149 0.000 2.526 43 L HA 0.540 5.034 4.340 0.069 -0.113 0.263 43 L C -2.124 174.792 176.870 0.076 0.000 0.943 43 L CA -0.783 54.142 54.840 0.141 0.000 0.859 43 L CB 4.529 46.749 42.059 0.269 0.000 1.313 43 L HN 0.195 8.459 8.230 0.057 0.000 0.406 44 G N 4.670 113.503 108.800 0.054 0.000 2.343 44 G HA2 0.158 4.379 3.960 0.054 0.000 0.254 44 G HA3 0.158 4.152 3.960 0.057 0.000 0.254 44 G C -0.573 174.374 174.900 0.078 0.000 1.277 44 G CA 0.094 45.229 45.100 0.059 0.000 0.909 44 G HN 0.147 8.750 8.290 0.042 -0.289 0.502 45 I N 5.589 126.205 120.570 0.078 0.000 2.330 45 I HA 0.235 4.465 4.170 0.100 0.000 0.286 45 I C -0.782 175.383 176.117 0.081 0.000 1.025 45 I CA -2.571 58.783 61.300 0.089 0.000 1.197 45 I CB -1.509 36.544 38.000 0.087 0.000 1.358 45 I HN 0.199 8.450 8.210 0.069 0.000 0.467 46 S N 7.107 122.855 115.700 0.080 0.000 2.503 46 S HA 0.071 4.585 4.470 0.074 0.000 0.217 46 S C 0.911 175.552 174.600 0.068 0.000 0.999 46 S CA 0.934 59.178 58.200 0.074 0.000 0.914 46 S CB 0.961 64.205 63.200 0.073 0.000 0.782 46 S HN 0.166 8.526 8.310 0.083 0.000 0.520 47 G N 1.751 110.593 108.800 0.070 0.000 2.176 47 G HA2 -0.282 3.715 3.960 0.061 0.000 0.253 47 G HA3 -0.282 3.709 3.960 0.052 0.000 0.253 47 G C -0.138 174.793 174.900 0.051 0.000 0.979 47 G CA -0.035 45.100 45.100 0.059 0.000 0.641 47 G HN -0.105 8.232 8.290 0.078 0.000 0.530 48 G N -1.415 107.421 108.800 0.060 0.000 2.502 48 G HA2 0.225 4.211 3.960 0.044 0.000 0.305 48 G HA3 0.225 4.222 3.960 0.062 0.000 0.305 48 G C -1.413 173.519 174.900 0.053 0.000 1.190 48 G CA -1.655 43.477 45.100 0.054 0.000 0.933 48 G HN -0.547 7.714 8.290 0.067 0.069 0.503 49 Q N -0.199 119.623 119.800 0.037 0.000 2.061 49 Q HA -0.339 4.102 4.340 0.053 -0.069 0.204 49 Q C 1.687 177.701 176.000 0.024 0.000 0.984 49 Q CA 3.938 59.759 55.803 0.031 0.000 0.846 49 Q CB 0.185 28.916 28.738 -0.012 0.000 0.902 49 Q HN 0.483 8.771 8.270 0.029 0.000 0.421 50 D N -2.156 118.257 120.400 0.022 0.000 2.097 50 D HA -0.220 4.404 4.640 -0.026 0.000 0.197 50 D C 2.381 178.711 176.300 0.050 0.000 0.984 50 D CA 3.639 57.655 54.000 0.026 0.000 0.826 50 D CB -0.932 39.933 40.800 0.108 0.000 0.973 50 D HN 0.309 8.699 8.370 0.034 0.000 0.460 51 S N -0.882 114.860 115.700 0.070 0.000 2.423 51 S HA -0.197 4.311 4.470 0.064 0.000 0.231 51 S C 2.128 176.788 174.600 0.100 0.000 1.014 51 S CA 3.638 61.885 58.200 0.078 0.000 0.965 51 S CB -0.680 62.571 63.200 0.085 0.000 0.785 51 S HN 0.259 8.613 8.310 0.074 0.000 0.495 52 T N 5.858 120.479 114.554 0.112 0.000 2.708 52 T HA -0.316 4.153 4.350 0.199 0.000 0.266 52 T C 1.704 176.513 174.700 0.182 0.000 1.037 52 T CA 4.220 66.424 62.100 0.173 0.000 1.146 52 T CB -0.242 68.727 68.868 0.168 0.000 0.865 52 T HN -0.648 7.637 8.240 0.096 0.013 0.435 53 L N 1.231 122.522 121.223 0.113 0.000 1.994 53 L HA -0.291 4.131 4.340 0.137 0.000 0.208 53 L C 1.093 177.974 176.870 0.018 0.000 1.071 53 L CA 3.126 58.013 54.840 0.079 0.000 0.745 53 L CB -0.756 41.313 42.059 0.016 0.000 0.892 53 L HN -0.383 7.898 8.230 0.086 0.000 0.431 54 A N -2.585 120.228 122.820 -0.012 0.000 1.933 54 A HA -0.312 3.941 4.320 -0.111 0.000 0.218 54 A C 2.248 179.738 177.584 -0.158 0.000 1.175 54 A CA 3.355 55.340 52.037 -0.087 0.000 0.628 54 A CB -0.971 17.985 19.000 -0.073 0.000 0.814 54 A HN 0.203 8.358 8.150 0.008 0.000 0.444 55 G N -2.019 106.752 108.800 -0.048 0.000 2.418 55 G HA2 -0.360 3.493 3.960 -0.180 0.000 0.217 55 G HA3 -0.360 3.707 3.960 0.178 0.000 0.217 55 G C 1.014 175.842 174.900 -0.119 0.000 1.158 55 G CA 1.742 46.826 45.100 -0.026 0.000 0.771 55 G HN -0.096 8.197 8.290 0.025 0.012 0.545 56 R N 2.474 122.942 120.500 -0.053 0.000 2.075 56 R HA -0.224 4.016 4.340 -0.168 0.000 0.232 56 R C 2.188 178.392 176.300 -0.159 0.000 1.126 56 R CA 1.959 57.980 56.100 -0.132 0.000 0.963 56 R CB -0.467 29.762 30.300 -0.118 0.000 0.858 56 R HN -0.489 7.793 8.270 0.020 0.000 0.435 57 L N -1.674 119.458 121.223 -0.151 0.000 2.046 57 L HA -0.382 3.884 4.340 -0.123 0.000 0.208 57 L C 1.902 178.608 176.870 -0.273 0.000 1.077 57 L CA 3.104 57.842 54.840 -0.171 0.000 0.747 57 L CB -0.573 41.397 42.059 -0.149 0.000 0.896 57 L HN -0.210 7.949 8.230 -0.118 0.000 0.432 58 A N -1.545 120.994 122.820 -0.468 0.000 1.877 58 A HA -0.428 3.527 4.320 -0.610 0.000 0.216 58 A C 2.016 179.348 177.584 -0.420 0.000 1.186 58 A CA 3.227 54.858 52.037 -0.677 0.000 0.620 58 A CB -1.025 17.169 19.000 -1.343 0.000 0.822 58 A HN -0.066 7.799 8.150 -0.475 0.000 0.443 59 Q N -0.594 118.987 119.800 -0.365 0.000 2.084 59 Q HA -0.262 4.100 4.340 0.037 0.000 0.202 59 Q C 2.453 178.422 176.000 -0.052 0.000 0.978 59 Q CA 2.613 58.377 55.803 -0.065 0.000 0.844 59 Q CB -0.354 28.407 28.738 0.038 0.000 0.898 59 Q HN -0.479 7.530 8.270 -0.435 0.000 0.426 60 L N -1.677 119.492 121.223 -0.090 0.000 2.046 60 L HA -0.305 4.008 4.340 -0.044 0.000 0.208 60 L C 2.170 179.020 176.870 -0.034 0.000 1.077 60 L CA 2.920 57.726 54.840 -0.058 0.000 0.747 60 L CB -0.455 41.567 42.059 -0.063 0.000 0.896 60 L HN -0.094 8.061 8.230 -0.125 0.000 0.432 61 A N -0.915 121.880 122.820 -0.042 0.000 1.877 61 A HA -0.285 4.036 4.320 0.002 0.000 0.216 61 A C 1.986 179.597 177.584 0.045 0.000 1.186 61 A CA 3.432 55.475 52.037 0.010 0.000 0.620 61 A CB -0.786 18.230 19.000 0.028 0.000 0.822 61 A HN -0.083 8.017 8.150 -0.083 0.000 0.443 62 V N -4.196 115.758 119.914 0.067 0.000 2.515 62 V HA -0.426 3.710 4.120 0.027 0.000 0.250 62 V C 1.759 177.864 176.094 0.018 0.000 1.058 62 V CA 3.584 65.912 62.300 0.046 0.000 1.064 62 V CB -1.442 30.422 31.823 0.069 0.000 0.675 62 V HN -0.298 7.932 8.190 0.066 0.000 0.461 63 E N 1.155 121.365 120.200 0.016 0.000 2.077 63 E HA -0.441 3.913 4.350 0.007 0.000 0.193 63 E C 2.257 178.857 176.600 -0.000 0.000 0.989 63 E CA 3.662 60.066 56.400 0.005 0.000 0.800 63 E CB -0.506 29.194 29.700 0.000 0.000 0.746 63 E HN -0.320 8.050 8.360 0.017 0.000 0.452 64 S N 0.022 115.722 115.700 -0.001 0.000 2.368 64 S HA -0.278 4.190 4.470 -0.003 0.000 0.224 64 S C 2.104 176.702 174.600 -0.004 0.000 1.029 64 S CA 2.983 61.181 58.200 -0.002 0.000 0.988 64 S CB -0.189 63.010 63.200 -0.002 0.000 0.838 64 S HN -0.462 7.848 8.310 0.000 0.000 0.462 65 I N 2.045 122.612 120.570 -0.004 0.000 2.163 65 I HA -0.466 3.696 4.170 -0.014 0.000 0.243 65 I C 1.928 178.036 176.117 -0.016 0.000 1.085 65 I CA 4.170 65.461 61.300 -0.014 0.000 1.347 65 I CB -0.250 37.735 38.000 -0.024 0.000 1.044 65 I HN -0.249 7.962 8.210 0.001 0.000 0.408 66 R N -0.990 119.502 120.500 -0.014 0.000 2.092 66 R HA -0.234 4.333 4.340 -0.017 -0.238 0.231 66 R C 3.535 179.830 176.300 -0.010 0.000 1.119 66 R CA 3.177 59.269 56.100 -0.013 0.000 0.970 66 R CB -0.192 30.102 30.300 -0.010 0.000 0.864 66 R HN -0.323 7.940 8.270 -0.011 0.000 0.440 67 E N 0.215 120.411 120.200 -0.007 0.000 2.209 67 E HA -0.248 4.099 4.350 -0.005 0.000 0.196 67 E C 1.756 178.352 176.600 -0.007 0.000 0.993 67 E CA 2.483 58.879 56.400 -0.006 0.000 0.819 67 E CB -0.405 29.292 29.700 -0.004 0.000 0.745 67 E HN -0.301 8.055 8.360 -0.006 0.000 0.477 68 E N -3.367 116.828 120.200 -0.009 0.000 2.502 68 E HA -0.051 4.294 4.350 -0.008 0.000 0.194 68 E C 0.312 176.905 176.600 -0.012 0.000 1.062 68 E CA -0.146 56.248 56.400 -0.009 0.000 0.867 68 E CB 0.067 29.760 29.700 -0.011 0.000 0.888 68 E HN -0.610 7.625 8.360 -0.009 0.120 0.510 69 G N -2.339 106.454 108.800 -0.012 0.000 2.157 69 G HA2 -0.292 3.661 3.960 -0.012 0.000 0.239 69 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.239 69 G C -0.117 174.773 174.900 -0.018 0.000 0.982 69 G CA -0.230 44.862 45.100 -0.013 0.000 0.650 69 G HN -0.030 8.043 8.290 -0.012 0.210 0.527 70 G N -0.656 108.131 108.800 -0.021 0.000 2.568 70 G HA2 0.120 4.062 3.960 -0.029 0.000 0.293 70 G HA3 0.120 4.060 3.960 -0.033 0.000 0.293 70 G C -2.316 172.565 174.900 -0.033 0.000 1.347 70 G CA -1.237 43.846 45.100 -0.029 0.000 1.039 70 G HN -0.131 8.099 8.290 -0.020 0.048 0.523 71 D N -0.444 119.930 120.400 -0.044 0.000 2.492 71 D HA 0.247 4.863 4.640 -0.041 0.000 0.248 71 D C -1.422 174.833 176.300 -0.074 0.000 1.101 71 D CA 0.076 54.046 54.000 -0.050 0.000 0.840 71 D CB 2.152 42.923 40.800 -0.048 0.000 1.209 71 D HN 0.080 8.421 8.370 -0.049 0.000 0.524 72 A N 2.193 124.968 122.820 -0.074 0.000 2.605 72 A HA 0.548 4.990 4.320 -0.148 -0.211 0.294 72 A C -2.754 174.783 177.584 -0.079 0.000 1.062 72 A CA -0.471 51.497 52.037 -0.115 0.000 0.682 72 A CB 3.064 21.982 19.000 -0.136 0.000 1.278 72 A HN 0.067 8.183 8.150 -0.056 0.000 0.410 73 Q N -1.616 118.127 119.800 -0.097 0.000 2.456 73 Q HA 1.025 5.572 4.340 0.009 -0.202 0.284 73 Q C -2.361 173.668 176.000 0.049 0.000 1.061 73 Q CA -2.155 53.631 55.803 -0.029 0.000 0.799 73 Q CB 4.299 33.001 28.738 -0.059 0.000 1.445 73 Q HN 0.226 8.402 8.270 -0.157 0.000 0.411 74 F N 3.101 123.006 119.950 -0.076 0.000 2.477 74 F HA 0.719 5.419 4.527 -0.020 -0.185 0.335 74 F C -2.446 173.283 175.800 -0.118 0.000 1.130 74 F CA -3.069 54.907 58.000 -0.040 0.000 0.948 74 F CB 3.428 42.449 39.000 0.036 0.000 1.154 74 F HN 0.058 8.704 8.300 0.143 -0.260 0.439 75 I N 7.329 127.586 120.570 -0.521 0.000 2.307 75 I HA 0.260 4.140 4.170 -0.749 -0.159 0.289 75 I C -1.700 173.836 176.117 -0.968 0.000 1.021 75 I CA -1.228 59.608 61.300 -0.774 0.000 1.224 75 I CB 1.089 38.596 38.000 -0.822 0.000 1.376 75 I HN 0.413 8.493 8.210 -0.216 0.000 0.470 76 A N 8.625 130.836 122.820 -1.015 0.000 2.363 76 A HA 0.586 4.730 4.320 -0.556 -0.157 0.270 76 A C -2.056 175.389 177.584 -0.232 0.000 1.121 76 A CA -1.294 50.379 52.037 -0.606 0.000 0.800 76 A CB 1.959 20.695 19.000 -0.440 0.000 1.052 76 A HN 0.599 8.180 8.150 -0.948 0.000 0.493 77 V N 3.199 123.063 119.914 -0.084 0.000 2.577 77 V HA 0.532 4.907 4.120 0.091 -0.201 0.303 77 V C -1.626 174.515 176.094 0.078 0.000 1.042 77 V CA -2.797 59.531 62.300 0.046 0.000 0.872 77 V CB 4.252 36.120 31.823 0.074 0.000 0.998 77 V HN 0.172 8.319 8.190 -0.071 0.000 0.423 78 R N 8.566 129.130 120.500 0.106 0.000 2.389 78 R HA 0.157 4.551 4.340 0.089 0.000 0.295 78 R C -1.028 175.352 176.300 0.134 0.000 1.075 78 R CA -1.342 54.819 56.100 0.102 0.000 1.005 78 R CB 0.595 30.946 30.300 0.086 0.000 0.987 78 R HN 0.234 8.576 8.270 0.121 0.000 0.452 79 L N 3.538 124.837 121.223 0.127 0.000 2.839 79 L HA 0.780 5.479 4.340 0.208 -0.234 0.259 79 L C -1.780 175.173 176.870 0.139 0.000 1.369 79 L CA -3.126 51.812 54.840 0.162 0.000 0.845 79 L CB 1.061 43.212 42.059 0.153 0.000 1.181 79 L HN 0.463 8.757 8.230 0.108 0.000 0.529 80 P HA 0.065 4.679 4.420 0.104 -0.131 0.272 80 P C -1.539 175.833 177.300 0.120 0.000 1.223 80 P CA -1.113 62.045 63.100 0.097 0.000 0.784 80 P CB 0.920 32.653 31.700 0.054 0.000 0.923 81 H N 3.871 122.965 119.070 0.039 0.000 2.746 81 H HA -0.039 4.538 4.556 0.034 0.000 0.269 81 H C 0.590 175.929 175.328 0.018 0.000 1.248 81 H CA 0.449 56.516 56.048 0.031 0.000 1.258 81 H CB -0.480 29.300 29.762 0.030 0.000 1.441 81 H HN 0.194 8.597 8.280 0.205 0.000 0.508 82 G N 8.504 117.179 108.800 -0.209 0.000 2.550 82 G HA2 -0.386 3.589 3.960 -0.145 0.000 0.277 82 G HA3 -0.386 3.487 3.960 -0.145 0.000 0.277 82 G C -1.078 173.803 174.900 -0.032 0.000 1.190 82 G CA -0.058 44.961 45.100 -0.135 0.000 0.971 82 G HN 0.016 8.486 8.290 -0.227 -0.316 0.559 83 T N 5.749 120.300 114.554 -0.004 0.000 2.779 83 T HA -0.081 4.274 4.350 0.008 0.000 0.296 83 T C -0.537 174.188 174.700 0.041 0.000 0.938 83 T CA 0.897 63.006 62.100 0.015 0.000 1.119 83 T CB -0.242 68.633 68.868 0.013 0.000 0.891 83 T HN -0.091 8.145 8.240 -0.007 0.000 0.526 84 Q N 7.503 127.328 119.800 0.042 0.000 2.274 84 Q HA 0.118 4.497 4.340 0.064 0.000 0.256 84 Q C 0.940 176.965 176.000 0.042 0.000 0.927 84 Q CA -0.545 55.290 55.803 0.053 0.000 0.939 84 Q CB 1.006 29.779 28.738 0.057 0.000 1.201 84 Q HN 0.336 8.626 8.270 0.034 0.000 0.426 85 Q N 5.147 124.973 119.800 0.043 0.000 2.224 85 Q HA -0.238 4.121 4.340 0.031 0.000 0.203 85 Q C -0.059 175.960 176.000 0.030 0.000 0.970 85 Q CA 2.527 58.350 55.803 0.034 0.000 0.865 85 Q CB -0.086 28.674 28.738 0.035 0.000 0.922 85 Q HN 0.621 8.920 8.270 0.049 0.000 0.445 86 D N -4.955 115.465 120.400 0.034 0.000 2.587 86 D HA 0.086 4.867 4.640 0.024 -0.126 0.233 86 D C 0.195 176.514 176.300 0.032 0.000 1.213 86 D CA -2.195 51.823 54.000 0.030 0.000 0.827 86 D CB -1.174 39.644 40.800 0.030 0.000 1.006 86 D HN -0.260 8.114 8.370 0.039 0.019 0.490 87 E N 1.382 121.601 120.200 0.032 0.000 2.114 87 E HA -0.506 3.866 4.350 0.038 0.000 0.199 87 E C 0.677 177.295 176.600 0.029 0.000 1.008 87 E CA 3.716 60.135 56.400 0.032 0.000 0.810 87 E CB -0.081 29.635 29.700 0.027 0.000 0.739 87 E HN -0.773 7.529 8.360 0.031 0.078 0.456 88 D N -4.314 116.100 120.400 0.022 0.000 2.133 88 D HA -0.344 4.308 4.640 0.019 0.000 0.195 88 D C 2.096 178.408 176.300 0.020 0.000 0.997 88 D CA 2.942 56.953 54.000 0.018 0.000 0.840 88 D CB -1.166 39.641 40.800 0.012 0.000 0.947 88 D HN 0.330 8.699 8.370 0.021 0.014 0.452 89 D N 0.540 120.951 120.400 0.018 0.000 2.144 89 D HA -0.216 4.428 4.640 0.008 0.000 0.200 89 D C 2.059 178.379 176.300 0.035 0.000 0.978 89 D CA 2.686 56.696 54.000 0.017 0.000 0.833 89 D CB -0.490 40.317 40.800 0.011 0.000 0.961 89 D HN -0.531 7.850 8.370 0.018 0.000 0.470 90 A N 0.366 123.211 122.820 0.042 0.000 1.933 90 A HA -0.401 3.957 4.320 0.062 0.000 0.218 90 A C 1.862 179.481 177.584 0.058 0.000 1.175 90 A CA 3.090 55.160 52.037 0.055 0.000 0.628 90 A CB -0.626 18.407 19.000 0.055 0.000 0.814 90 A HN -0.546 7.549 8.150 0.039 0.078 0.444 91 Q N -1.999 117.829 119.800 0.048 0.000 2.119 91 Q HA -0.275 4.095 4.340 0.050 0.000 0.201 91 Q C 2.525 178.559 176.000 0.058 0.000 0.972 91 Q CA 2.379 58.211 55.803 0.048 0.000 0.847 91 Q CB -0.415 28.344 28.738 0.036 0.000 0.903 91 Q HN -0.195 8.099 8.270 0.041 0.000 0.433 92 L N 0.033 121.288 121.223 0.053 0.000 2.046 92 L HA -0.321 4.056 4.340 0.063 0.000 0.208 92 L C 1.291 178.227 176.870 0.110 0.000 1.077 92 L CA 2.790 57.667 54.840 0.062 0.000 0.747 92 L CB -0.694 41.382 42.059 0.028 0.000 0.896 92 L HN -0.285 7.971 8.230 0.043 0.000 0.432 93 A N -0.813 122.073 122.820 0.109 0.000 1.908 93 A HA -0.348 4.106 4.320 0.224 0.000 0.218 93 A C 2.045 179.740 177.584 0.186 0.000 1.181 93 A CA 3.173 55.314 52.037 0.172 0.000 0.627 93 A CB -0.903 18.179 19.000 0.137 0.000 0.818 93 A HN -0.127 8.073 8.150 0.083 0.000 0.445 94 L N -2.361 118.933 121.223 0.118 0.000 2.083 94 L HA -0.485 3.906 4.340 0.084 0.000 0.209 94 L C 2.157 179.077 176.870 0.085 0.000 1.083 94 L CA 2.944 57.837 54.840 0.087 0.000 0.752 94 L CB -0.525 41.569 42.059 0.058 0.000 0.899 94 L HN -0.297 7.994 8.230 0.101 0.000 0.433 95 K N -0.300 120.161 120.400 0.101 0.000 2.097 95 K HA -0.380 3.981 4.320 0.069 0.000 0.206 95 K C 2.212 178.894 176.600 0.136 0.000 1.049 95 K CA 3.382 59.728 56.287 0.098 0.000 0.933 95 K CB -0.167 32.390 32.500 0.095 0.000 0.717 95 K HN -0.400 7.912 8.250 0.102 0.000 0.442 96 F N -0.157 119.815 119.950 0.036 0.000 2.128 96 F HA -0.228 4.320 4.527 0.035 0.000 0.295 96 F C 1.758 177.590 175.800 0.053 0.000 1.100 96 F CA 2.606 60.630 58.000 0.040 0.000 1.260 96 F CB 0.211 39.234 39.000 0.039 0.000 1.009 96 F HN -0.593 7.892 8.300 0.308 0.000 0.476 97 I N -1.456 119.000 120.570 -0.190 0.000 2.226 97 I HA -0.504 3.357 4.170 -0.514 0.000 0.245 97 I C 0.169 176.192 176.117 -0.157 0.000 1.100 97 I CA 3.119 64.268 61.300 -0.252 0.000 1.374 97 I CB 0.425 38.448 38.000 0.039 0.000 1.057 97 I HN -0.075 8.176 8.210 0.069 0.000 0.413 98 K N -6.323 114.039 120.400 -0.063 0.000 3.419 98 K HA -0.286 4.030 4.320 -0.007 0.000 0.272 98 K C -2.498 174.108 176.600 0.009 0.000 0.973 98 K CA -0.235 56.036 56.287 -0.027 0.000 0.749 98 K CB -2.353 30.118 32.500 -0.048 0.000 1.403 98 K HN -0.408 7.804 8.250 -0.033 0.018 0.456 99 P HA 0.024 4.555 4.420 0.186 0.000 0.274 99 P C -0.912 176.385 177.300 -0.006 0.000 1.246 99 P CA -0.724 62.399 63.100 0.038 0.000 0.795 99 P CB 0.529 32.124 31.700 -0.174 0.000 1.006 100 D N -0.143 120.262 120.400 0.007 0.000 2.123 100 D HA -0.233 4.415 4.640 0.013 0.000 0.196 100 D C 0.454 176.733 176.300 -0.036 0.000 0.992 100 D CA 2.707 56.705 54.000 -0.004 0.000 0.833 100 D CB 0.384 41.189 40.800 0.009 0.000 0.954 100 D HN 0.167 8.575 8.370 0.063 0.000 0.455 101 K N -2.673 117.654 120.400 -0.121 0.000 2.464 101 K HA 0.357 4.695 4.320 0.030 0.000 0.253 101 K C -2.545 173.983 176.600 -0.121 0.000 0.933 101 K CA -0.939 55.305 56.287 -0.073 0.000 0.801 101 K CB 3.887 36.309 32.500 -0.130 0.000 1.271 101 K HN -0.464 7.649 8.250 -0.207 0.012 0.430 102 S N 2.802 118.550 115.700 0.080 0.000 2.774 102 S HA 0.719 5.384 4.470 -0.018 -0.206 0.297 102 S C -1.007 173.788 174.600 0.324 0.000 1.143 102 S CA -1.321 56.933 58.200 0.090 0.000 1.090 102 S CB 1.034 64.262 63.200 0.047 0.000 1.019 102 S HN 0.253 8.671 8.310 0.179 0.000 0.482 103 W N 7.790 129.052 121.300 -0.064 0.000 2.594 103 W HA 0.414 5.064 4.660 -0.015 0.000 0.365 103 W C -1.442 175.081 176.519 0.007 0.000 1.196 103 W CA -2.216 55.116 57.345 -0.022 0.000 1.258 103 W CB 2.664 32.112 29.460 -0.019 0.000 1.405 103 W HN 0.675 9.013 8.180 0.264 0.000 0.640 104 K N 0.097 120.645 120.400 0.246 0.000 2.523 104 K HA 0.571 5.183 4.320 0.185 -0.181 0.257 104 K C -1.879 174.857 176.600 0.227 0.000 0.932 104 K CA -1.026 55.365 56.287 0.174 0.000 0.812 104 K CB 3.357 35.902 32.500 0.075 0.000 1.326 104 K HN -0.071 8.311 8.250 0.220 0.000 0.433 105 F N 7.077 127.068 119.950 0.068 0.000 2.730 105 F HA 0.153 4.701 4.527 0.034 0.000 0.335 105 F C -2.574 173.251 175.800 0.041 0.000 1.212 105 F CA -0.258 57.774 58.000 0.053 0.000 1.016 105 F CB 3.249 42.297 39.000 0.081 0.000 1.290 105 F HN 0.617 9.081 8.300 0.273 0.000 0.495 106 D N 7.308 127.533 120.400 -0.291 0.000 2.325 106 D HA 0.309 5.122 4.640 -0.035 -0.193 0.251 106 D C 1.159 177.324 176.300 -0.225 0.000 1.196 106 D CA -0.918 52.973 54.000 -0.182 0.000 0.866 106 D CB 0.216 40.897 40.800 -0.199 0.000 1.101 106 D HN 0.157 8.267 8.370 -0.432 0.000 0.476 107 I N 0.162 120.774 120.570 0.069 0.000 3.564 107 I HA 0.075 4.452 4.170 0.345 0.000 0.294 107 I C 0.720 176.893 176.117 0.093 0.000 1.289 107 I CA 0.963 62.393 61.300 0.217 0.000 1.325 107 I CB -0.472 37.714 38.000 0.308 0.000 1.039 107 I HN 0.001 8.280 8.210 0.114 0.000 0.474 108 K N 1.810 122.133 120.400 -0.128 0.000 2.057 108 K HA -0.337 3.770 4.320 -0.355 0.000 0.207 108 K C 1.788 178.338 176.600 -0.083 0.000 1.049 108 K CA 4.014 60.118 56.287 -0.306 0.000 0.931 108 K CB -0.042 32.111 32.500 -0.578 0.000 0.714 108 K HN 0.017 8.414 8.250 -0.170 -0.249 0.440 109 S N -2.578 113.078 115.700 -0.073 0.000 2.402 109 S HA -0.229 4.233 4.470 -0.013 0.000 0.229 109 S C 2.125 176.761 174.600 0.061 0.000 1.021 109 S CA 3.057 61.248 58.200 -0.016 0.000 0.974 109 S CB -0.772 62.401 63.200 -0.044 0.000 0.800 109 S HN 0.348 8.588 8.310 -0.117 0.000 0.484 110 T N 5.471 120.087 114.554 0.104 0.000 2.812 110 T HA -0.218 4.228 4.350 0.160 0.000 0.264 110 T C 1.784 176.602 174.700 0.196 0.000 1.042 110 T CA 3.844 66.046 62.100 0.169 0.000 1.140 110 T CB -0.306 68.700 68.868 0.230 0.000 0.870 110 T HN -0.793 7.485 8.240 0.088 0.015 0.445 111 V N 1.952 121.984 119.914 0.197 0.000 2.343 111 V HA -0.399 3.843 4.120 0.203 0.000 0.247 111 V C 2.124 178.366 176.094 0.245 0.000 1.051 111 V CA 3.749 66.183 62.300 0.223 0.000 1.036 111 V CB -1.308 30.672 31.823 0.262 0.000 0.654 111 V HN -0.250 8.053 8.190 0.189 0.000 0.451 112 S N 0.348 116.163 115.700 0.193 0.000 2.368 112 S HA -0.408 4.160 4.470 0.164 0.000 0.225 112 S C 1.756 176.441 174.600 0.141 0.000 1.030 112 S CA 3.673 61.964 58.200 0.151 0.000 0.999 112 S CB -0.318 62.937 63.200 0.091 0.000 0.844 112 S HN 0.116 8.526 8.310 0.167 0.000 0.459 113 A N 2.143 125.046 122.820 0.138 0.000 1.883 113 A HA -0.294 4.075 4.320 0.082 0.000 0.217 113 A C 1.480 179.147 177.584 0.138 0.000 1.186 113 A CA 2.976 55.083 52.037 0.117 0.000 0.624 113 A CB -0.735 18.333 19.000 0.114 0.000 0.822 113 A HN -0.357 7.875 8.150 0.136 0.000 0.444 114 F N -1.034 118.965 119.950 0.083 0.000 2.075 114 F HA -0.439 4.146 4.527 0.096 0.000 0.297 114 F C 1.615 177.486 175.800 0.117 0.000 1.113 114 F CA 3.674 61.731 58.000 0.095 0.000 1.218 114 F CB 0.385 39.435 39.000 0.084 0.000 0.984 114 F HN -0.173 8.335 8.300 0.345 0.000 0.472 115 S N -0.736 115.128 115.700 0.274 0.000 2.368 115 S HA -0.379 4.227 4.470 0.226 0.000 0.225 115 S C 2.042 176.702 174.600 0.100 0.000 1.030 115 S CA 4.423 62.741 58.200 0.197 0.000 0.999 115 S CB -0.487 62.830 63.200 0.196 0.000 0.844 115 S HN -0.074 8.442 8.310 0.344 0.000 0.459 116 D N 1.348 121.791 120.400 0.073 0.000 2.117 116 D HA -0.203 4.467 4.640 0.050 0.000 0.198 116 D C 2.212 178.510 176.300 -0.005 0.000 0.982 116 D CA 3.139 57.163 54.000 0.041 0.000 0.828 116 D CB -0.308 40.515 40.800 0.038 0.000 0.967 116 D HN -0.175 8.250 8.370 0.092 0.000 0.464 117 Q N 0.832 120.600 119.800 -0.054 0.000 2.084 117 Q HA -0.264 4.025 4.340 -0.085 0.000 0.202 117 Q C 1.890 177.797 176.000 -0.156 0.000 0.978 117 Q CA 2.661 58.394 55.803 -0.117 0.000 0.844 117 Q CB -0.349 28.290 28.738 -0.166 0.000 0.898 117 Q HN -0.357 7.885 8.270 -0.046 0.000 0.426 118 Y N 0.329 120.449 120.300 -0.301 0.000 2.128 118 Y HA -0.522 3.865 4.550 -0.272 0.000 0.284 118 Y C 1.771 177.606 175.900 -0.109 0.000 1.154 118 Y CA 3.834 61.785 58.100 -0.247 0.000 1.149 118 Y CB 0.113 38.428 38.460 -0.242 0.000 0.976 118 Y HN -0.116 8.085 8.280 -0.132 0.000 0.505 119 Q N -0.770 119.079 119.800 0.081 0.000 2.119 119 Q HA -0.435 4.125 4.340 0.060 -0.184 0.201 119 Q C 2.439 178.412 176.000 -0.044 0.000 0.972 119 Q CA 2.887 58.714 55.803 0.040 0.000 0.847 119 Q CB -0.022 28.761 28.738 0.075 0.000 0.903 119 Q HN -0.519 7.827 8.270 0.126 0.000 0.433 120 Q N -0.718 119.047 119.800 -0.057 0.000 2.124 120 Q HA -0.277 4.036 4.340 -0.046 0.000 0.202 120 Q C 2.118 178.057 176.000 -0.102 0.000 0.977 120 Q CA 2.946 58.711 55.803 -0.065 0.000 0.850 120 Q CB -0.130 28.576 28.738 -0.054 0.000 0.901 120 Q HN -0.349 7.893 8.270 -0.047 0.000 0.429 121 E N -1.601 118.500 120.200 -0.165 0.000 2.076 121 E HA -0.107 4.159 4.350 -0.141 0.000 0.190 121 E C 1.795 178.271 176.600 -0.206 0.000 0.979 121 E CA 2.044 58.329 56.400 -0.192 0.000 0.807 121 E CB 0.591 30.137 29.700 -0.258 0.000 0.761 121 E HN -0.238 7.989 8.360 -0.190 0.019 0.454 122 T N -7.007 107.385 114.554 -0.271 0.000 2.990 122 T HA 0.109 4.341 4.350 -0.196 0.000 0.249 122 T C 1.569 176.202 174.700 -0.111 0.000 1.039 122 T CA 0.038 61.996 62.100 -0.237 0.000 1.036 122 T CB 2.525 71.152 68.868 -0.401 0.000 0.994 122 T HN -0.436 7.625 8.240 -0.298 0.000 0.489 123 G N 3.363 112.117 108.800 -0.077 0.000 2.199 123 G HA2 -0.414 3.570 3.960 -0.019 0.000 0.254 123 G HA3 -0.414 3.533 3.960 -0.022 0.000 0.254 123 G C -1.070 173.840 174.900 0.017 0.000 0.982 123 G CA 0.222 45.308 45.100 -0.023 0.000 0.632 123 G HN -0.056 8.082 8.290 -0.095 0.095 0.529 124 D N 2.076 122.507 120.400 0.052 0.000 2.256 124 D HA 0.211 4.910 4.640 0.098 0.000 0.240 124 D C -1.328 175.092 176.300 0.200 0.000 1.062 124 D CA -0.690 53.388 54.000 0.129 0.000 0.832 124 D CB 1.266 42.188 40.800 0.203 0.000 1.135 124 D HN -0.600 7.707 8.370 0.025 0.079 0.484 125 Q N 2.955 122.839 119.800 0.140 0.000 2.288 125 Q HA -0.016 4.418 4.340 0.158 0.000 0.254 125 Q C -0.512 175.551 176.000 0.105 0.000 0.932 125 Q CA -0.298 55.583 55.803 0.130 0.000 0.902 125 Q CB 0.798 29.585 28.738 0.081 0.000 1.203 125 Q HN 0.166 8.500 8.270 0.106 0.000 0.415 126 L N 5.822 127.073 121.223 0.047 0.000 2.485 126 L HA -0.056 4.209 4.340 -0.125 0.000 0.275 126 L C 0.450 177.322 176.870 0.003 0.000 1.207 126 L CA 0.306 55.107 54.840 -0.066 0.000 0.855 126 L CB 0.251 42.239 42.059 -0.118 0.000 1.114 126 L HN 0.316 8.590 8.230 0.074 0.000 0.485 127 T N -2.147 112.415 114.554 0.014 0.000 2.900 127 T HA -0.105 4.274 4.350 0.048 0.000 0.307 127 T C 0.471 175.201 174.700 0.050 0.000 1.065 127 T CA -0.789 61.341 62.100 0.050 0.000 1.105 127 T CB 1.204 70.120 68.868 0.081 0.000 0.979 127 T HN -0.374 7.865 8.240 -0.000 0.000 0.544 128 D N 2.264 122.702 120.400 0.063 0.000 2.123 128 D HA -0.310 4.341 4.640 0.017 0.000 0.196 128 D C 2.089 178.419 176.300 0.051 0.000 0.992 128 D CA 3.218 57.246 54.000 0.047 0.000 0.833 128 D CB -0.099 40.735 40.800 0.056 0.000 0.954 128 D HN 0.488 8.898 8.370 0.066 0.000 0.455 129 F N -0.441 119.488 119.950 -0.036 0.000 2.102 129 F HA -0.346 4.153 4.527 -0.045 0.000 0.298 129 F C 1.419 177.182 175.800 -0.062 0.000 1.105 129 F CA 3.215 61.188 58.000 -0.045 0.000 1.239 129 F CB 0.158 39.138 39.000 -0.034 0.000 0.991 129 F HN -0.444 7.993 8.300 0.250 0.012 0.474 130 N N -1.431 117.297 118.700 0.046 0.000 2.244 130 N HA -0.312 4.348 4.740 -0.133 0.000 0.183 130 N C 2.125 177.543 175.510 -0.154 0.000 1.016 130 N CA 2.838 55.844 53.050 -0.074 0.000 0.866 130 N CB -0.405 38.075 38.487 -0.012 0.000 0.980 130 N HN -0.369 8.108 8.380 0.161 0.000 0.430 131 K N 1.619 121.952 120.400 -0.112 0.000 2.097 131 K HA -0.299 3.965 4.320 -0.095 0.000 0.206 131 K C 1.976 178.467 176.600 -0.182 0.000 1.049 131 K CA 3.329 59.550 56.287 -0.111 0.000 0.933 131 K CB -0.108 32.358 32.500 -0.056 0.000 0.717 131 K HN 0.096 8.304 8.250 -0.070 0.000 0.442 132 G N -2.194 106.467 108.800 -0.231 0.000 2.440 132 G HA2 -0.330 3.596 3.960 -0.242 0.000 0.218 132 G HA3 -0.330 3.443 3.960 -0.312 0.000 0.218 132 G C 1.293 176.012 174.900 -0.301 0.000 1.154 132 G CA 2.295 47.229 45.100 -0.277 0.000 0.767 132 G HN 0.086 8.146 8.290 -0.216 0.100 0.552 133 N N 1.971 120.451 118.700 -0.366 0.000 2.270 133 N HA -0.178 4.384 4.740 -0.296 0.000 0.181 133 N C 2.366 177.738 175.510 -0.231 0.000 1.016 133 N CA 2.161 55.027 53.050 -0.306 0.000 0.870 133 N CB -0.235 38.057 38.487 -0.326 0.000 0.979 133 N HN -0.666 7.463 8.380 -0.418 0.000 0.431 134 V N 1.292 121.059 119.914 -0.246 0.000 2.343 134 V HA -0.590 3.327 4.120 -0.337 0.000 0.247 134 V C 1.321 177.297 176.094 -0.197 0.000 1.051 134 V CA 4.733 66.858 62.300 -0.291 0.000 1.036 134 V CB -0.365 31.243 31.823 -0.359 0.000 0.654 134 V HN -0.306 7.660 8.190 -0.243 0.079 0.451 135 K N -0.798 119.508 120.400 -0.157 0.000 2.032 135 K HA -0.439 3.858 4.320 -0.038 0.000 0.209 135 K C 2.336 178.898 176.600 -0.064 0.000 1.048 135 K CA 3.818 60.050 56.287 -0.093 0.000 0.927 135 K CB -0.516 31.898 32.500 -0.143 0.000 0.712 135 K HN -0.367 7.774 8.250 -0.182 0.000 0.441 136 A N -1.623 121.137 122.820 -0.100 0.000 1.902 136 A HA -0.245 4.052 4.320 -0.039 0.000 0.217 136 A C 2.353 179.914 177.584 -0.039 0.000 1.181 136 A CA 2.966 54.963 52.037 -0.066 0.000 0.623 136 A CB -0.763 18.178 19.000 -0.098 0.000 0.818 136 A HN -0.346 7.720 8.150 -0.140 0.000 0.443 137 R N -3.110 117.350 120.500 -0.068 0.000 2.115 137 R HA -0.221 4.113 4.340 -0.010 0.000 0.226 137 R C 2.613 178.890 176.300 -0.037 0.000 1.100 137 R CA 3.121 59.193 56.100 -0.046 0.000 0.980 137 R CB -0.099 30.154 30.300 -0.079 0.000 0.875 137 R HN -0.307 7.901 8.270 -0.103 0.000 0.445 138 T N 1.761 116.289 114.554 -0.044 0.000 2.821 138 T HA -0.270 4.072 4.350 -0.014 0.000 0.267 138 T C 1.665 176.378 174.700 0.021 0.000 1.046 138 T CA 4.230 66.328 62.100 -0.002 0.000 1.139 138 T CB -0.613 68.277 68.868 0.036 0.000 0.871 138 T HN 0.054 8.172 8.240 -0.066 0.082 0.454 139 R N 0.440 120.961 120.500 0.035 0.000 2.096 139 R HA -0.389 3.981 4.340 0.050 0.000 0.235 139 R C 2.145 178.468 176.300 0.039 0.000 1.127 139 R CA 3.885 60.011 56.100 0.044 0.000 0.968 139 R CB -0.479 29.854 30.300 0.054 0.000 0.861 139 R HN -0.196 8.090 8.270 0.028 0.000 0.440 140 M N 0.902 120.538 119.600 0.061 0.000 2.080 140 M HA -0.323 4.265 4.480 0.179 0.000 0.260 140 M C 1.630 178.027 176.300 0.163 0.000 1.068 140 M CA 2.555 57.939 55.300 0.140 0.000 1.109 140 M CB -0.463 32.207 32.600 0.117 0.000 1.342 140 M HN -0.794 7.523 8.290 0.045 0.000 0.405 141 I N -1.473 119.129 120.570 0.055 0.000 2.208 141 I HA -0.599 3.608 4.170 0.061 0.000 0.245 141 I C 1.497 177.593 176.117 -0.034 0.000 1.097 141 I CA 3.677 64.992 61.300 0.024 0.000 1.363 141 I CB -0.688 37.301 38.000 -0.018 0.000 1.051 141 I HN -0.329 7.897 8.210 0.027 0.000 0.413 142 A N -1.331 121.398 122.820 -0.151 0.000 1.902 142 A HA -0.411 3.595 4.320 -0.524 0.000 0.217 142 A C 2.160 179.637 177.584 -0.179 0.000 1.181 142 A CA 3.330 55.150 52.037 -0.363 0.000 0.623 142 A CB -0.982 17.710 19.000 -0.515 0.000 0.818 142 A HN -0.086 7.996 8.150 -0.113 0.000 0.443 143 Q N -1.144 118.611 119.800 -0.075 0.000 2.079 143 Q HA -0.353 3.925 4.340 -0.103 0.000 0.200 143 Q C 2.693 178.602 176.000 -0.152 0.000 0.974 143 Q CA 3.205 58.950 55.803 -0.098 0.000 0.840 143 Q CB 0.132 28.814 28.738 -0.094 0.000 0.898 143 Q HN -0.436 7.811 8.270 -0.039 0.000 0.430 144 Y N -1.045 119.224 120.300 -0.051 0.000 2.352 144 Y HA -0.377 4.159 4.550 -0.023 0.000 0.292 144 Y C 2.264 178.141 175.900 -0.038 0.000 1.136 144 Y CA 3.821 61.900 58.100 -0.035 0.000 1.227 144 Y CB -0.320 38.124 38.460 -0.027 0.000 0.991 144 Y HN -0.009 8.381 8.280 0.184 0.000 0.545 145 A N 0.215 123.067 122.820 0.052 0.000 1.897 145 A HA -0.294 4.054 4.320 0.048 0.000 0.215 145 A C 1.767 179.362 177.584 0.018 0.000 1.181 145 A CA 3.103 55.152 52.037 0.021 0.000 0.620 145 A CB -0.980 17.998 19.000 -0.035 0.000 0.821 145 A HN -0.013 8.136 8.150 0.030 0.020 0.443 146 I N -1.613 118.951 120.570 -0.010 0.000 2.179 146 I HA -0.555 3.675 4.170 0.100 0.000 0.242 146 I C 1.889 177.962 176.117 -0.073 0.000 1.088 146 I CA 3.977 65.278 61.300 0.002 0.000 1.357 146 I CB -0.214 37.761 38.000 -0.043 0.000 1.051 146 I HN -0.340 7.845 8.210 -0.042 0.000 0.409 147 G N -2.207 106.524 108.800 -0.115 0.000 2.422 147 G HA2 -0.324 3.551 3.960 -0.142 0.000 0.218 147 G HA3 -0.324 3.536 3.960 -0.167 0.000 0.218 147 G C 1.399 176.267 174.900 -0.053 0.000 1.146 147 G CA 2.232 47.258 45.100 -0.124 0.000 0.769 147 G HN 0.118 8.329 8.290 -0.131 0.000 0.547 148 G N 0.616 109.414 108.800 -0.002 0.000 2.402 148 G HA2 -0.239 3.741 3.960 0.032 0.000 0.216 148 G HA3 -0.239 3.753 3.960 0.052 0.000 0.216 148 G C 1.225 176.140 174.900 0.025 0.000 1.162 148 G CA 1.136 46.255 45.100 0.031 0.000 0.777 148 G HN -0.223 8.069 8.290 0.004 0.000 0.539 149 Q N -0.860 118.962 119.800 0.035 0.000 2.124 149 Q HA -0.182 4.190 4.340 0.053 0.000 0.202 149 Q C 2.110 178.135 176.000 0.042 0.000 0.977 149 Q CA 2.311 58.147 55.803 0.056 0.000 0.850 149 Q CB 0.131 28.931 28.738 0.104 0.000 0.901 149 Q HN -0.353 7.939 8.270 0.037 0.000 0.429 150 E N -4.551 115.652 120.200 0.005 0.000 2.476 150 E HA 0.095 4.451 4.350 0.011 0.000 0.199 150 E C 0.452 177.022 176.600 -0.049 0.000 1.021 150 E CA -0.577 55.808 56.400 -0.026 0.000 0.907 150 E CB 0.745 30.378 29.700 -0.112 0.000 0.974 150 E HN -0.505 7.818 8.360 -0.013 0.030 0.489 151 G N -0.058 108.715 108.800 -0.044 0.000 2.149 151 G HA2 -0.456 3.484 3.960 -0.033 0.000 0.235 151 G HA3 -0.456 3.475 3.960 -0.048 0.000 0.235 151 G C -1.759 173.094 174.900 -0.079 0.000 1.018 151 G CA 0.521 45.591 45.100 -0.049 0.000 0.728 151 G HN -0.166 8.104 8.290 -0.033 0.000 0.508 152 L N -3.025 118.141 121.223 -0.094 0.000 2.303 152 L HA 0.332 4.664 4.340 -0.146 -0.080 0.266 152 L C -0.730 176.087 176.870 -0.087 0.000 1.011 152 L CA -1.840 52.928 54.840 -0.120 0.000 0.818 152 L CB 2.356 44.331 42.059 -0.139 0.000 1.326 152 L HN -0.490 7.688 8.230 -0.087 0.000 0.435 153 L N -0.970 120.220 121.223 -0.055 0.000 2.357 153 L HA 0.258 4.699 4.340 -0.026 -0.117 0.273 153 L C -0.303 176.561 176.870 -0.011 0.000 1.080 153 L CA -1.023 53.822 54.840 0.008 0.000 0.803 153 L CB 1.513 43.649 42.059 0.128 0.000 1.174 153 L HN 0.224 8.399 8.230 -0.090 0.000 0.443 154 V N 2.200 122.015 119.914 -0.165 0.000 2.408 154 V HA 0.121 4.284 4.120 -0.184 -0.153 0.267 154 V C -0.093 175.938 176.094 -0.105 0.000 1.047 154 V CA -0.756 61.399 62.300 -0.242 0.000 0.937 154 V CB -0.570 30.842 31.823 -0.686 0.000 0.999 154 V HN 0.292 8.733 8.190 -0.193 -0.368 0.472 155 L N 7.243 128.425 121.223 -0.069 0.000 2.417 155 L HA 0.324 4.737 4.340 -0.142 -0.158 0.268 155 L C 0.219 177.044 176.870 -0.075 0.000 1.158 155 L CA -0.278 54.494 54.840 -0.114 0.000 0.819 155 L CB 0.743 42.697 42.059 -0.175 0.000 1.112 155 L HN -0.000 8.210 8.230 -0.033 0.000 0.458 156 G N -0.012 108.742 108.800 -0.078 0.000 2.473 156 G HA2 0.455 4.388 3.960 -0.045 0.000 0.321 156 G HA3 0.455 4.372 3.960 -0.073 0.000 0.321 156 G C -0.575 174.288 174.900 -0.063 0.000 1.200 156 G CA -0.657 44.405 45.100 -0.063 0.000 0.963 156 G HN 0.196 8.430 8.290 -0.094 0.000 0.483 157 T N -4.417 110.111 114.554 -0.043 0.000 3.134 157 T HA 0.068 4.421 4.350 0.005 0.000 0.260 157 T C -0.833 173.879 174.700 0.019 0.000 1.027 157 T CA -1.347 60.758 62.100 0.007 0.000 0.913 157 T CB -0.289 68.609 68.868 0.049 0.000 1.046 157 T HN 0.285 8.496 8.240 -0.049 0.000 0.553 158 D N 2.410 122.747 120.400 -0.106 0.000 2.472 158 D HA -0.218 4.263 4.640 -0.265 0.000 0.237 158 D C -1.266 174.995 176.300 -0.065 0.000 1.141 158 D CA 1.695 55.575 54.000 -0.200 0.000 0.875 158 D CB 1.020 41.608 40.800 -0.353 0.000 1.192 158 D HN -0.352 7.879 8.370 -0.137 0.057 0.450 159 H N -2.236 116.828 119.070 -0.011 0.000 2.942 159 H HA 0.270 4.927 4.556 -0.002 -0.102 0.316 159 H C -0.670 174.696 175.328 0.063 0.000 1.323 159 H CA -1.525 54.531 56.048 0.014 0.000 1.144 159 H CB 2.645 32.411 29.762 0.006 0.000 1.866 159 H HN -0.396 7.566 8.280 -0.530 0.000 0.545 160 A N -1.792 121.167 122.820 0.233 0.000 1.969 160 A HA -0.213 4.184 4.320 0.129 0.000 0.218 160 A C 1.008 178.718 177.584 0.209 0.000 1.169 160 A CA 3.512 55.653 52.037 0.173 0.000 0.635 160 A CB -0.301 18.788 19.000 0.147 0.000 0.810 160 A HN 0.209 8.525 8.150 0.277 0.000 0.445 161 A N -4.852 118.188 122.820 0.368 0.000 2.119 161 A HA -0.074 4.426 4.320 0.299 0.000 0.217 161 A C 1.121 178.898 177.584 0.321 0.000 1.153 161 A CA 2.173 54.443 52.037 0.389 0.000 0.692 161 A CB -0.535 18.776 19.000 0.517 0.000 0.799 161 A HN -0.376 8.101 8.150 0.585 0.024 0.458 162 E N -1.886 118.332 120.200 0.031 0.000 2.166 162 E HA 0.006 4.511 4.350 0.258 0.000 0.192 162 E C 1.651 178.372 176.600 0.201 0.000 0.967 162 E CA 1.996 58.458 56.400 0.103 0.000 0.840 162 E CB 0.766 30.423 29.700 -0.072 0.000 0.795 162 E HN -0.631 7.562 8.360 -0.279 0.000 0.470 163 A N 1.338 124.238 122.820 0.133 0.000 1.933 163 A HA -0.206 4.328 4.320 0.358 0.000 0.218 163 A C 1.444 179.171 177.584 0.239 0.000 1.175 163 A CA 3.201 55.371 52.037 0.222 0.000 0.628 163 A CB -0.428 18.653 19.000 0.134 0.000 0.814 163 A HN 0.099 8.269 8.150 0.033 0.000 0.444 164 V N -3.376 116.674 119.914 0.227 0.000 2.490 164 V HA -0.357 4.046 4.120 0.471 0.000 0.250 164 V C 0.600 176.823 176.094 0.216 0.000 1.061 164 V CA 3.252 65.720 62.300 0.280 0.000 1.064 164 V CB 0.061 31.978 31.823 0.157 0.000 0.670 164 V HN -0.350 7.937 8.190 0.193 0.019 0.461 165 T N -7.370 107.264 114.554 0.133 0.000 3.086 165 T HA -0.034 4.347 4.350 0.052 0.000 0.250 165 T C 0.532 175.260 174.700 0.048 0.000 1.074 165 T CA -0.064 62.080 62.100 0.074 0.000 0.988 165 T CB 0.303 69.194 68.868 0.037 0.000 0.988 165 T HN -0.841 7.466 8.240 0.150 0.023 0.530 166 G N 2.069 110.877 108.800 0.014 0.000 2.249 166 G HA2 -0.387 3.334 3.960 -0.398 0.000 0.273 166 G HA3 -0.387 3.368 3.960 -0.341 0.000 0.273 166 G C -1.134 173.569 174.900 -0.328 0.000 1.036 166 G CA 0.726 45.656 45.100 -0.283 0.000 0.824 166 G HN -0.587 7.580 8.290 0.092 0.178 0.504 167 F N 1.962 121.838 119.950 -0.122 0.000 2.573 167 F HA -0.101 4.368 4.527 -0.098 0.000 0.349 167 F C -2.031 173.834 175.800 0.109 0.000 1.213 167 F CA -0.279 57.702 58.000 -0.032 0.000 1.300 167 F CB -0.864 38.172 39.000 0.060 0.000 1.661 167 F HN -0.735 7.717 8.300 0.270 0.011 0.616 168 F N -0.366 119.449 119.950 -0.225 0.000 2.719 168 F HA 0.301 4.662 4.527 -0.276 0.000 0.309 168 F C -2.458 173.201 175.800 -0.234 0.000 1.138 168 F CA -2.016 55.847 58.000 -0.227 0.000 0.943 168 F CB 1.157 40.077 39.000 -0.134 0.000 1.304 168 F HN -0.426 7.483 8.300 -0.550 0.061 0.445 169 T N 3.709 118.265 114.554 0.003 0.000 2.780 169 T HA 0.191 4.427 4.350 -0.191 0.000 0.294 169 T C -0.396 174.319 174.700 0.024 0.000 0.949 169 T CA 0.106 62.153 62.100 -0.088 0.000 1.074 169 T CB 0.982 69.784 68.868 -0.111 0.000 0.910 169 T HN 0.353 8.969 8.240 0.061 -0.339 0.501 170 K N 7.081 127.402 120.400 -0.130 0.000 2.436 170 K HA -0.209 3.997 4.320 -0.189 0.000 0.282 170 K C 0.535 176.959 176.600 -0.293 0.000 1.044 170 K CA 1.447 57.562 56.287 -0.286 0.000 1.028 170 K CB -0.028 32.232 32.500 -0.400 0.000 0.919 170 K HN 0.605 8.740 8.250 -0.191 0.000 0.474 171 Y N -1.102 119.244 120.300 0.077 0.000 4.604 171 Y HA -0.476 4.079 4.550 0.009 0.000 0.230 171 Y C -0.598 175.301 175.900 -0.002 0.000 1.066 171 Y CA -0.001 58.108 58.100 0.015 0.000 1.990 171 Y CB -2.226 36.227 38.460 -0.012 0.000 1.619 171 Y HN 0.637 8.760 8.280 -0.260 0.000 0.649 172 G N -1.430 107.426 108.800 0.093 0.000 3.223 172 G HA2 0.007 3.997 3.960 0.050 0.000 0.198 172 G HA3 0.007 3.977 3.960 0.017 0.000 0.198 172 G C -0.521 174.418 174.900 0.065 0.000 1.980 172 G CA 0.076 45.208 45.100 0.053 0.000 0.828 172 G HN -0.349 7.787 8.290 0.069 0.196 0.680 173 D N 2.077 122.503 120.400 0.045 0.000 2.310 173 D HA -0.215 4.446 4.640 0.035 0.000 0.212 173 D C 1.377 177.663 176.300 -0.024 0.000 0.965 173 D CA 1.795 55.811 54.000 0.027 0.000 0.879 173 D CB -0.925 39.887 40.800 0.021 0.000 0.921 173 D HN 0.071 8.460 8.370 0.031 0.000 0.510 174 G N -1.473 107.328 108.800 0.001 0.000 2.471 174 G HA2 -0.156 3.515 3.960 -0.482 0.000 0.219 174 G HA3 -0.156 3.764 3.960 -0.068 0.000 0.219 174 G C 0.160 175.034 174.900 -0.043 0.000 1.125 174 G CA 0.308 45.304 45.100 -0.172 0.000 0.775 174 G HN -0.514 7.815 8.290 0.107 0.025 0.548 175 G N 1.202 110.053 108.800 0.086 0.000 2.394 175 G HA2 0.056 4.111 3.960 0.159 0.000 0.298 175 G HA3 0.056 4.115 3.960 0.164 0.000 0.298 175 G C -2.301 172.734 174.900 0.225 0.000 1.087 175 G CA -0.185 45.008 45.100 0.155 0.000 1.035 175 G HN -0.558 7.632 8.290 0.094 0.157 0.420 176 A N 3.694 126.630 122.820 0.192 0.000 2.583 176 A HA 0.227 4.709 4.320 0.271 0.000 0.289 176 A C -1.926 175.760 177.584 0.171 0.000 1.151 176 A CA -0.929 51.218 52.037 0.184 0.000 0.695 176 A CB 2.444 21.461 19.000 0.030 0.000 1.290 176 A HN -0.502 7.731 8.150 0.139 0.000 0.419 177 D N -1.648 118.809 120.400 0.095 0.000 2.338 177 D HA 0.078 4.783 4.640 0.109 0.000 0.224 177 D C 0.071 176.324 176.300 -0.078 0.000 0.967 177 D CA 1.686 55.719 54.000 0.054 0.000 0.896 177 D CB 1.688 42.520 40.800 0.053 0.000 1.028 177 D HN 0.039 8.432 8.370 0.037 0.000 0.493 178 L N -7.359 113.790 121.223 -0.122 0.000 2.540 178 L HA 0.523 4.795 4.340 -0.113 0.000 0.256 178 L C -2.522 174.304 176.870 -0.074 0.000 1.001 178 L CA -0.570 54.175 54.840 -0.158 0.000 0.843 178 L CB 3.267 45.067 42.059 -0.431 0.000 1.436 178 L HN -0.640 7.533 8.230 -0.095 0.000 0.410 179 L N -0.073 121.168 121.223 0.030 0.000 2.401 179 L HA 0.716 5.186 4.340 -0.052 -0.161 0.263 179 L C -0.856 176.033 176.870 0.031 0.000 1.004 179 L CA -2.590 52.239 54.840 -0.017 0.000 0.881 179 L CB 0.859 42.876 42.059 -0.069 0.000 1.219 179 L HN 0.255 8.563 8.230 0.131 0.000 0.441 180 P HA 0.029 4.543 4.420 0.157 0.000 0.233 180 P C 0.178 177.462 177.300 -0.026 0.000 1.167 180 P CA 1.397 64.518 63.100 0.034 0.000 0.770 180 P CB 0.605 32.268 31.700 -0.061 0.000 0.837 181 L N -3.576 117.631 121.223 -0.026 0.000 2.640 181 L HA 0.263 4.593 4.340 -0.016 0.000 0.230 181 L C -0.663 176.219 176.870 0.019 0.000 1.123 181 L CA -1.171 53.669 54.840 0.000 0.000 0.900 181 L CB -0.424 41.663 42.059 0.047 0.000 1.146 181 L HN -0.168 7.990 8.230 -0.027 0.056 0.484 182 T N 2.422 116.960 114.554 -0.027 0.000 2.933 182 T HA -0.239 4.129 4.350 0.031 0.000 0.306 182 T C 1.270 175.985 174.700 0.024 0.000 1.045 182 T CA 3.400 65.497 62.100 -0.006 0.000 1.143 182 T CB 0.206 69.030 68.868 -0.074 0.000 1.003 182 T HN -0.856 7.290 8.240 -0.064 0.056 0.540 183 G N 4.477 113.333 108.800 0.093 0.000 2.241 183 G HA2 -0.424 3.847 3.960 0.131 0.000 0.244 183 G HA3 -0.424 3.665 3.960 0.093 -0.074 0.244 183 G C -0.990 173.954 174.900 0.073 0.000 0.998 183 G CA 0.308 45.470 45.100 0.102 0.000 0.621 183 G HN 0.482 8.838 8.290 0.109 0.000 0.519 184 L N 1.563 122.825 121.223 0.065 0.000 2.380 184 L HA 0.332 4.837 4.340 0.012 -0.158 0.273 184 L C 0.642 177.550 176.870 0.063 0.000 1.138 184 L CA -0.419 54.438 54.840 0.029 0.000 0.832 184 L CB 0.444 42.487 42.059 -0.027 0.000 1.124 184 L HN -0.502 7.695 8.230 0.071 0.076 0.454 185 T N -0.159 114.414 114.554 0.031 0.000 2.788 185 T HA 0.134 4.562 4.350 0.130 0.000 0.280 185 T C 0.315 174.984 174.700 -0.051 0.000 0.984 185 T CA -0.728 61.404 62.100 0.053 0.000 0.972 185 T CB 1.744 70.644 68.868 0.054 0.000 1.039 185 T HN 0.059 8.590 8.240 0.012 -0.284 0.530 186 K N 2.098 122.477 120.400 -0.035 0.000 2.057 186 K HA -0.284 3.824 4.320 -0.354 0.000 0.206 186 K C 2.135 178.638 176.600 -0.161 0.000 1.050 186 K CA 3.243 59.412 56.287 -0.198 0.000 0.935 186 K CB 0.071 32.429 32.500 -0.237 0.000 0.715 186 K HN 0.290 8.946 8.250 0.069 -0.365 0.439 187 R N -2.585 117.868 120.500 -0.078 0.000 2.096 187 R HA -0.346 3.935 4.340 -0.100 0.000 0.235 187 R C 2.213 178.446 176.300 -0.113 0.000 1.127 187 R CA 3.173 59.222 56.100 -0.083 0.000 0.968 187 R CB -0.770 29.507 30.300 -0.038 0.000 0.861 187 R HN -0.197 8.367 8.270 -0.031 -0.313 0.440 188 Q N -0.364 119.379 119.800 -0.095 0.000 2.119 188 Q HA -0.279 4.006 4.340 -0.092 0.000 0.201 188 Q C 2.757 178.678 176.000 -0.131 0.000 0.972 188 Q CA 2.688 58.434 55.803 -0.096 0.000 0.847 188 Q CB -0.325 28.375 28.738 -0.063 0.000 0.903 188 Q HN -0.573 7.651 8.270 -0.076 0.000 0.433 189 G N -1.462 107.238 108.800 -0.166 0.000 2.422 189 G HA2 -0.349 3.519 3.960 -0.152 0.000 0.218 189 G HA3 -0.349 3.476 3.960 -0.224 0.000 0.218 189 G C 0.956 175.733 174.900 -0.205 0.000 1.146 189 G CA 1.670 46.659 45.100 -0.185 0.000 0.769 189 G HN -0.087 8.098 8.290 -0.175 0.000 0.547 190 R N 1.246 121.594 120.500 -0.254 0.000 2.081 190 R HA -0.340 3.701 4.340 -0.499 0.000 0.235 190 R C 2.528 178.559 176.300 -0.448 0.000 1.131 190 R CA 3.744 59.583 56.100 -0.435 0.000 0.960 190 R CB -0.287 29.756 30.300 -0.429 0.000 0.856 190 R HN -0.512 7.622 8.270 -0.227 0.000 0.436 191 T N 2.542 116.932 114.554 -0.272 0.000 2.746 191 T HA -0.298 3.914 4.350 -0.230 0.000 0.267 191 T C 2.068 176.671 174.700 -0.161 0.000 1.039 191 T CA 4.692 66.670 62.100 -0.204 0.000 1.142 191 T CB -0.462 68.326 68.868 -0.133 0.000 0.866 191 T HN -0.420 7.605 8.240 -0.227 0.079 0.444 192 L N 0.352 121.494 121.223 -0.134 0.000 2.056 192 L HA -0.337 3.966 4.340 -0.062 0.000 0.207 192 L C 1.973 178.805 176.870 -0.064 0.000 1.078 192 L CA 3.126 57.917 54.840 -0.080 0.000 0.749 192 L CB -0.628 41.394 42.059 -0.061 0.000 0.901 192 L HN -0.325 7.820 8.230 -0.142 0.000 0.433 193 L N -1.521 119.636 121.223 -0.109 0.000 2.042 193 L HA -0.501 3.856 4.340 0.028 0.000 0.210 193 L C 2.173 178.996 176.870 -0.079 0.000 1.076 193 L CA 3.441 58.240 54.840 -0.068 0.000 0.749 193 L CB -0.640 41.373 42.059 -0.078 0.000 0.893 193 L HN -0.139 7.998 8.230 -0.155 0.000 0.432 194 K N -1.335 118.954 120.400 -0.185 0.000 2.057 194 K HA -0.365 3.933 4.320 -0.037 0.000 0.207 194 K C 3.081 179.664 176.600 -0.029 0.000 1.049 194 K CA 3.563 59.789 56.287 -0.103 0.000 0.931 194 K CB -0.408 31.994 32.500 -0.164 0.000 0.714 194 K HN -0.167 7.907 8.250 -0.294 0.000 0.440 195 E N 0.771 120.951 120.200 -0.034 0.000 2.153 195 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 195 E C 1.542 178.170 176.600 0.045 0.000 0.988 195 E CA 2.352 58.753 56.400 0.001 0.000 0.811 195 E CB -0.400 29.294 29.700 -0.010 0.000 0.746 195 E HN -0.588 7.735 8.360 -0.063 0.000 0.466 196 L N -4.973 116.300 121.223 0.084 0.000 2.554 196 L HA -0.019 4.411 4.340 0.149 0.000 0.226 196 L C 0.473 177.509 176.870 0.277 0.000 1.137 196 L CA 0.158 55.114 54.840 0.192 0.000 0.863 196 L CB 0.437 42.673 42.059 0.295 0.000 0.985 196 L HN -0.573 7.586 8.230 0.061 0.108 0.451 197 G N -2.330 106.553 108.800 0.137 0.000 2.137 197 G HA2 -0.322 3.677 3.960 0.064 0.000 0.237 197 G HA3 -0.322 3.750 3.960 0.186 0.000 0.237 197 G C -0.363 174.489 174.900 -0.079 0.000 1.002 197 G CA -0.104 45.061 45.100 0.109 0.000 0.702 197 G HN -0.558 7.597 8.290 0.082 0.184 0.515 198 A N 1.681 124.267 122.820 -0.391 0.000 2.386 198 A HA 0.158 3.215 4.320 -2.105 0.000 0.248 198 A C -2.542 174.774 177.584 -0.447 0.000 1.082 198 A CA -1.334 50.073 52.037 -1.050 0.000 0.789 198 A CB -0.082 18.413 19.000 -0.841 0.000 1.025 198 A HN -0.342 7.686 8.150 -0.204 0.000 0.490 199 P HA 0.013 4.308 4.420 -0.209 0.000 0.267 199 P C 0.582 177.635 177.300 -0.411 0.000 1.205 199 P CA -0.167 62.765 63.100 -0.281 0.000 0.765 199 P CB 0.649 32.231 31.700 -0.196 0.000 0.828 200 E N 6.198 126.120 120.200 -0.462 0.000 2.204 200 E HA -0.494 2.749 4.350 -1.845 0.000 0.195 200 E C 1.770 177.876 176.600 -0.823 0.000 0.990 200 E CA 3.249 59.075 56.400 -0.958 0.000 0.821 200 E CB -0.489 28.903 29.700 -0.513 0.000 0.750 200 E HN 0.457 8.633 8.360 -0.305 0.000 0.477 201 R N -0.352 119.896 120.500 -0.420 0.000 2.139 201 R HA -0.239 3.953 4.340 -0.247 0.000 0.243 201 R C 1.772 177.916 176.300 -0.260 0.000 1.145 201 R CA 2.134 58.069 56.100 -0.275 0.000 0.976 201 R CB -1.213 28.992 30.300 -0.158 0.000 0.866 201 R HN 0.188 8.230 8.270 -0.337 0.026 0.449 202 L N -4.420 116.625 121.223 -0.296 0.000 2.395 202 L HA -0.116 4.168 4.340 -0.092 0.000 0.218 202 L C 0.436 177.259 176.870 -0.078 0.000 1.130 202 L CA 1.779 56.530 54.840 -0.147 0.000 0.826 202 L CB 0.041 42.043 42.059 -0.095 0.000 0.941 202 L HN -0.509 7.467 8.230 -0.363 0.036 0.451 203 Y N -8.755 111.499 120.300 -0.077 0.000 2.500 203 Y HA 0.202 4.705 4.550 -0.077 0.000 0.246 203 Y C -0.304 175.560 175.900 -0.060 0.000 1.146 203 Y CA -1.770 56.283 58.100 -0.078 0.000 1.230 203 Y CB -0.124 38.279 38.460 -0.094 0.000 1.214 203 Y HN -0.745 7.107 8.280 -0.663 0.031 0.526 204 L N -1.896 119.257 121.223 -0.118 0.000 2.307 204 L HA -0.057 4.317 4.340 0.056 0.000 0.211 204 L C 0.530 177.391 176.870 -0.015 0.000 1.099 204 L CA 1.093 55.913 54.840 -0.034 0.000 0.816 204 L CB 0.330 42.325 42.059 -0.107 0.000 0.952 204 L HN -0.561 7.479 8.230 -0.317 0.000 0.455 205 K N -0.604 119.777 120.400 -0.032 0.000 2.286 205 K HA -0.157 4.160 4.320 -0.005 0.000 0.256 205 K C -0.374 176.239 176.600 0.023 0.000 0.999 205 K CA -0.437 55.847 56.287 -0.006 0.000 0.908 205 K CB 0.431 32.924 32.500 -0.011 0.000 0.981 205 K HN -0.892 7.321 8.250 -0.062 0.000 0.500 206 E N 0.916 121.139 120.200 0.038 0.000 2.344 206 E HA 0.094 4.487 4.350 0.072 0.000 0.270 206 E C -1.108 175.537 176.600 0.074 0.000 1.021 206 E CA -1.685 54.754 56.400 0.064 0.000 0.887 206 E CB -0.500 29.242 29.700 0.069 0.000 0.997 206 E HN 0.229 8.608 8.360 0.033 0.000 0.429 207 P HA -0.033 4.435 4.420 0.079 0.000 0.265 207 P C -1.697 175.702 177.300 0.166 0.000 1.193 207 P CA 0.505 63.672 63.100 0.112 0.000 0.765 207 P CB 0.656 32.419 31.700 0.106 0.000 0.823 208 T N 2.001 116.655 114.554 0.166 0.000 2.982 208 T HA 0.320 4.938 4.350 0.220 -0.136 0.321 208 T C -0.590 174.219 174.700 0.183 0.000 1.229 208 T CA -1.577 60.630 62.100 0.179 0.000 1.044 208 T CB 2.330 71.271 68.868 0.122 0.000 1.184 208 T HN -0.182 8.147 8.240 0.147 0.000 0.477 209 A N 4.535 127.477 122.820 0.202 0.000 2.072 209 A HA 0.098 4.480 4.320 0.104 0.000 0.216 209 A C -0.355 177.262 177.584 0.055 0.000 1.156 209 A CA 0.614 52.716 52.037 0.108 0.000 0.701 209 A CB 0.495 19.515 19.000 0.034 0.000 0.816 209 A HN 0.615 8.915 8.150 0.250 0.000 0.458 210 D N -2.011 118.429 120.400 0.066 0.000 2.740 210 D HA -0.315 4.353 4.640 0.047 0.000 0.231 210 D C -0.745 175.554 176.300 -0.002 0.000 1.194 210 D CA 0.771 54.796 54.000 0.041 0.000 0.673 210 D CB -1.348 39.482 40.800 0.050 0.000 0.995 210 D HN -0.417 8.009 8.370 0.094 0.000 0.411 211 L N -4.748 116.456 121.223 -0.033 0.000 2.556 211 L HA 0.042 4.316 4.340 -0.110 0.000 0.226 211 L C -0.132 176.672 176.870 -0.110 0.000 1.089 211 L CA -0.010 54.770 54.840 -0.100 0.000 0.864 211 L CB 0.639 42.604 42.059 -0.157 0.000 1.067 211 L HN 0.096 8.317 8.230 -0.015 0.000 0.477 212 L N -2.362 118.832 121.223 -0.049 0.000 2.307 212 L HA -0.026 4.282 4.340 -0.053 0.000 0.282 212 L C -0.538 176.319 176.870 -0.021 0.000 1.051 212 L CA -0.733 54.090 54.840 -0.029 0.000 0.804 212 L CB 1.267 43.341 42.059 0.025 0.000 1.197 212 L HN -0.646 7.571 8.230 -0.020 0.000 0.431 213 D N 4.537 124.922 120.400 -0.025 0.000 2.144 213 D HA -0.223 4.422 4.640 0.008 0.000 0.200 213 D C 1.259 177.574 176.300 0.025 0.000 0.978 213 D CA 2.871 56.874 54.000 0.004 0.000 0.833 213 D CB 0.201 41.009 40.800 0.014 0.000 0.961 213 D HN 0.264 8.934 8.370 -0.036 -0.321 0.470 214 E N -2.082 118.134 120.200 0.028 0.000 2.385 214 E HA -0.003 4.367 4.350 0.033 0.000 0.194 214 E C -0.044 176.577 176.600 0.036 0.000 1.013 214 E CA 0.545 56.965 56.400 0.033 0.000 0.866 214 E CB 0.724 30.445 29.700 0.035 0.000 0.832 214 E HN -0.407 8.311 8.360 0.026 -0.343 0.500 215 K N -1.233 119.190 120.400 0.039 0.000 3.146 215 K HA 0.469 4.814 4.320 0.040 0.000 0.168 215 K C -2.668 173.958 176.600 0.044 0.000 1.075 215 K CA -2.871 53.442 56.287 0.044 0.000 0.843 215 K CB 0.682 33.214 32.500 0.053 0.000 1.002 215 K HN -0.233 8.039 8.250 0.037 0.000 0.597 216 P HA -0.031 4.521 4.420 0.035 -0.111 0.269 216 P C -0.091 177.237 177.300 0.047 0.000 1.209 216 P CA 0.051 63.175 63.100 0.039 0.000 0.776 216 P CB 0.672 32.396 31.700 0.040 0.000 0.876 217 Q N -5.399 114.432 119.800 0.052 0.000 2.480 217 Q HA -0.544 3.835 4.340 0.065 0.000 0.265 217 Q C -0.585 175.456 176.000 0.069 0.000 1.072 217 Q CA 0.897 56.736 55.803 0.060 0.000 1.018 217 Q CB -2.311 26.458 28.738 0.051 0.000 1.433 217 Q HN 0.220 8.813 8.270 0.049 -0.294 0.513 218 Q N -0.330 119.516 119.800 0.077 0.000 2.300 218 Q HA -0.120 4.263 4.340 0.071 0.000 0.280 218 Q C -0.219 175.846 176.000 0.108 0.000 1.033 218 Q CA 0.472 56.327 55.803 0.086 0.000 0.903 218 Q CB 1.282 30.077 28.738 0.096 0.000 1.195 218 Q HN -0.568 7.710 8.270 0.073 0.036 0.386 219 S N 5.857 121.611 115.700 0.090 0.000 2.576 219 S HA 0.037 4.730 4.470 0.119 -0.151 0.276 219 S C 0.944 175.605 174.600 0.102 0.000 1.339 219 S CA -0.980 57.280 58.200 0.100 0.000 1.039 219 S CB 1.553 64.796 63.200 0.072 0.000 0.902 219 S HN 0.436 8.790 8.310 0.073 0.000 0.516 220 D N 4.060 124.533 120.400 0.120 0.000 2.123 220 D HA -0.364 4.292 4.640 0.027 0.000 0.196 220 D C 1.969 178.147 176.300 -0.203 0.000 0.992 220 D CA 3.595 57.569 54.000 -0.044 0.000 0.833 220 D CB -0.340 40.410 40.800 -0.083 0.000 0.954 220 D HN 0.078 8.548 8.370 0.166 0.000 0.455 221 E N -0.508 119.619 120.200 -0.121 0.000 2.110 221 E HA -0.301 4.033 4.350 -0.269 -0.146 0.193 221 E C 2.158 178.699 176.600 -0.099 0.000 0.988 221 E CA 2.838 59.141 56.400 -0.161 0.000 0.804 221 E CB -0.246 29.401 29.700 -0.088 0.000 0.745 221 E HN 0.178 8.510 8.360 -0.026 0.013 0.458 222 T N 0.475 115.008 114.554 -0.035 0.000 2.684 222 T HA -0.363 3.977 4.350 -0.017 0.000 0.267 222 T C 1.525 176.221 174.700 -0.007 0.000 1.036 222 T CA 4.167 66.262 62.100 -0.010 0.000 1.148 222 T CB -0.328 68.554 68.868 0.023 0.000 0.863 222 T HN -0.372 7.859 8.240 -0.014 0.000 0.436 223 E N 0.184 120.392 120.200 0.014 0.000 2.072 223 E HA -0.233 4.158 4.350 0.069 0.000 0.191 223 E C 2.010 178.606 176.600 -0.007 0.000 0.985 223 E CA 2.431 58.868 56.400 0.060 0.000 0.801 223 E CB 0.306 30.139 29.700 0.223 0.000 0.750 223 E HN -0.716 7.655 8.360 0.018 0.000 0.452 224 L N -3.894 117.253 121.223 -0.128 0.000 2.179 224 L HA -0.160 4.112 4.340 -0.114 0.000 0.208 224 L C 1.100 177.892 176.870 -0.131 0.000 1.096 224 L CA 0.967 55.702 54.840 -0.174 0.000 0.779 224 L CB 0.926 42.764 42.059 -0.370 0.000 0.922 224 L HN -0.091 8.030 8.230 -0.182 0.000 0.443 225 G N -1.695 107.034 108.800 -0.119 0.000 2.160 225 G HA2 -0.402 3.510 3.960 -0.080 0.000 0.251 225 G HA3 -0.402 3.510 3.960 -0.079 0.000 0.251 225 G C -0.812 174.017 174.900 -0.118 0.000 1.008 225 G CA 0.860 45.902 45.100 -0.096 0.000 0.724 225 G HN -0.443 7.776 8.290 -0.118 0.000 0.514 226 I N -1.246 119.222 120.570 -0.170 0.000 2.656 226 I HA 0.383 4.593 4.170 -0.142 -0.126 0.292 226 I C -2.193 173.775 176.117 -0.248 0.000 1.144 226 I CA -2.155 59.032 61.300 -0.187 0.000 1.038 226 I CB 2.934 40.815 38.000 -0.197 0.000 1.244 226 I HN -0.837 7.213 8.210 -0.202 0.039 0.420 227 S N 7.033 122.623 115.700 -0.184 0.000 2.652 227 S HA 0.317 4.662 4.470 -0.208 0.000 0.270 227 S C 0.501 174.972 174.600 -0.216 0.000 1.243 227 S CA -1.735 56.361 58.200 -0.173 0.000 0.999 227 S CB 2.348 65.515 63.200 -0.054 0.000 0.973 227 S HN 0.363 8.936 8.310 -0.136 -0.345 0.544 228 Y N 0.907 121.193 120.300 -0.023 0.000 2.352 228 Y HA -0.320 4.228 4.550 -0.004 0.000 0.292 228 Y C 1.612 177.515 175.900 0.005 0.000 1.136 228 Y CA 4.829 62.927 58.100 -0.004 0.000 1.227 228 Y CB -0.003 38.462 38.460 0.008 0.000 0.991 228 Y HN 0.727 9.006 8.280 -0.002 0.000 0.545 229 D N -1.946 118.525 120.400 0.118 0.000 2.144 229 D HA -0.310 4.383 4.640 0.088 0.000 0.200 229 D C 2.047 178.379 176.300 0.053 0.000 0.978 229 D CA 3.344 57.390 54.000 0.077 0.000 0.833 229 D CB -0.729 40.102 40.800 0.051 0.000 0.961 229 D HN 0.121 8.540 8.370 0.104 0.014 0.470 230 E N 0.541 120.753 120.200 0.021 0.000 2.047 230 E HA -0.279 4.088 4.350 0.028 0.000 0.191 230 E C 2.561 179.184 176.600 0.038 0.000 0.987 230 E CA 2.995 59.403 56.400 0.012 0.000 0.799 230 E CB 0.094 29.774 29.700 -0.034 0.000 0.752 230 E HN -0.705 7.657 8.360 0.003 0.000 0.449 231 I N 0.240 120.815 120.570 0.010 0.000 2.163 231 I HA -0.596 3.588 4.170 0.023 0.000 0.243 231 I C 1.860 178.061 176.117 0.140 0.000 1.085 231 I CA 4.364 65.694 61.300 0.051 0.000 1.347 231 I CB -0.219 37.791 38.000 0.017 0.000 1.044 231 I HN -0.248 7.942 8.210 -0.032 0.000 0.408 232 D N -0.751 119.731 120.400 0.137 0.000 2.117 232 D HA -0.274 4.442 4.640 0.126 0.000 0.198 232 D C 2.436 178.788 176.300 0.087 0.000 0.982 232 D CA 3.377 57.447 54.000 0.117 0.000 0.828 232 D CB -0.847 40.013 40.800 0.100 0.000 0.967 232 D HN -0.201 8.251 8.370 0.136 0.000 0.464 233 D N 0.099 120.548 120.400 0.082 0.000 2.117 233 D HA -0.263 4.398 4.640 0.034 0.000 0.197 233 D C 1.722 178.063 176.300 0.069 0.000 0.987 233 D CA 3.266 57.301 54.000 0.059 0.000 0.829 233 D CB -0.251 40.581 40.800 0.053 0.000 0.961 233 D HN -0.427 7.993 8.370 0.083 0.000 0.460 234 Y N 1.383 121.675 120.300 -0.013 0.000 2.097 234 Y HA -0.354 4.293 4.550 -0.029 -0.114 0.282 234 Y C 2.647 178.528 175.900 -0.031 0.000 1.152 234 Y CA 3.460 61.544 58.100 -0.027 0.000 1.136 234 Y CB 0.238 38.678 38.460 -0.034 0.000 0.975 234 Y HN -0.500 7.911 8.280 0.219 0.000 0.498 235 L N -4.017 117.282 121.223 0.126 0.000 2.201 235 L HA -0.322 4.013 4.340 -0.007 0.000 0.212 235 L C 1.141 177.984 176.870 -0.046 0.000 1.105 235 L CA 2.368 57.229 54.840 0.035 0.000 0.775 235 L CB -0.038 42.087 42.059 0.110 0.000 0.913 235 L HN -0.252 8.110 8.230 0.221 0.000 0.440 236 E N -5.548 114.633 120.200 -0.031 0.000 2.489 236 E HA -0.037 4.291 4.350 -0.037 0.000 0.193 236 E C 0.381 176.936 176.600 -0.074 0.000 1.057 236 E CA 0.081 56.456 56.400 -0.040 0.000 0.866 236 E CB 0.525 30.216 29.700 -0.016 0.000 0.916 236 E HN -0.484 7.844 8.360 -0.004 0.030 0.500 237 G N -1.544 107.178 108.800 -0.130 0.000 2.136 237 G HA2 -0.439 3.504 3.960 -0.216 0.000 0.242 237 G HA3 -0.439 3.447 3.960 -0.124 0.000 0.242 237 G C -0.051 174.784 174.900 -0.108 0.000 0.989 237 G CA 0.365 45.375 45.100 -0.150 0.000 0.682 237 G HN -0.455 7.561 8.290 -0.161 0.177 0.522 238 K N -0.068 120.285 120.400 -0.078 0.000 2.276 238 K HA -0.065 4.229 4.320 -0.043 0.000 0.259 238 K C -0.093 176.478 176.600 -0.049 0.000 1.001 238 K CA -0.178 56.081 56.287 -0.046 0.000 0.927 238 K CB 0.665 33.153 32.500 -0.020 0.000 0.969 238 K HN -0.580 7.576 8.250 -0.072 0.050 0.490 239 E N 1.181 121.363 120.200 -0.029 0.000 1.932 239 E HA -0.095 4.238 4.350 -0.029 0.000 0.275 239 E C -0.431 176.171 176.600 0.003 0.000 1.159 239 E CA -0.103 56.285 56.400 -0.019 0.000 0.905 239 E CB -1.150 28.541 29.700 -0.016 0.000 1.059 239 E HN 0.100 8.445 8.360 -0.025 0.000 0.400 240 V N 1.355 121.284 119.914 0.024 0.000 2.973 240 V HA 0.376 4.517 4.120 0.035 0.000 0.314 240 V C 0.002 176.123 176.094 0.045 0.000 1.066 240 V CA -1.936 60.393 62.300 0.049 0.000 1.021 240 V CB 1.964 33.850 31.823 0.105 0.000 1.076 240 V HN -0.338 7.865 8.190 0.022 0.000 0.462 241 S N 0.524 116.245 115.700 0.035 0.000 2.563 241 S HA -0.085 4.397 4.470 0.019 0.000 0.284 241 S C 1.013 175.632 174.600 0.030 0.000 1.331 241 S CA -0.424 57.791 58.200 0.023 0.000 1.047 241 S CB 1.151 64.358 63.200 0.011 0.000 0.859 241 S HN -0.113 8.217 8.310 0.033 0.000 0.514 242 A N 3.143 125.976 122.820 0.021 0.000 1.972 242 A HA -0.173 4.169 4.320 0.036 0.000 0.219 242 A C 1.905 179.493 177.584 0.008 0.000 1.169 242 A CA 2.422 54.472 52.037 0.022 0.000 0.635 242 A CB -0.313 18.695 19.000 0.014 0.000 0.810 242 A HN 0.596 8.756 8.150 0.016 0.000 0.446 243 K N -2.822 117.576 120.400 -0.003 0.000 2.097 243 K HA -0.242 4.066 4.320 -0.020 0.000 0.206 243 K C 2.042 178.619 176.600 -0.039 0.000 1.049 243 K CA 2.581 58.856 56.287 -0.019 0.000 0.933 243 K CB -0.711 31.777 32.500 -0.021 0.000 0.717 243 K HN 0.252 8.478 8.250 -0.001 0.024 0.442 244 V N 0.972 120.866 119.914 -0.033 0.000 2.307 244 V HA -0.470 3.592 4.120 -0.096 0.000 0.245 244 V C 1.962 177.971 176.094 -0.142 0.000 1.045 244 V CA 3.622 65.879 62.300 -0.072 0.000 1.024 244 V CB -0.203 31.607 31.823 -0.021 0.000 0.651 244 V HN -0.595 7.570 8.190 -0.012 0.018 0.449 245 S N -0.520 115.152 115.700 -0.047 0.000 2.382 245 S HA -0.380 3.939 4.470 -0.252 0.000 0.228 245 S C 1.595 176.137 174.600 -0.095 0.000 1.027 245 S CA 4.371 62.541 58.200 -0.050 0.000 0.991 245 S CB -0.575 62.728 63.200 0.170 0.000 0.823 245 S HN -0.672 7.652 8.310 0.023 0.000 0.469 246 E N 2.258 122.427 120.200 -0.051 0.000 2.031 246 E HA -0.384 3.952 4.350 -0.023 0.000 0.193 246 E C 1.654 178.212 176.600 -0.069 0.000 0.994 246 E CA 2.999 59.375 56.400 -0.040 0.000 0.800 246 E CB 0.051 29.737 29.700 -0.024 0.000 0.752 246 E HN -0.362 7.978 8.360 -0.034 0.000 0.447 247 A N -0.729 122.034 122.820 -0.095 0.000 1.877 247 A HA -0.219 4.058 4.320 -0.072 0.000 0.216 247 A C 2.439 179.944 177.584 -0.131 0.000 1.186 247 A CA 3.061 55.038 52.037 -0.100 0.000 0.620 247 A CB -0.609 18.328 19.000 -0.105 0.000 0.822 247 A HN -0.538 7.555 8.150 -0.095 0.000 0.443 248 L N -2.898 118.185 121.223 -0.232 0.000 2.109 248 L HA -0.418 3.805 4.340 -0.195 0.000 0.207 248 L C 2.434 179.198 176.870 -0.177 0.000 1.086 248 L CA 3.081 57.748 54.840 -0.288 0.000 0.760 248 L CB -0.230 41.455 42.059 -0.624 0.000 0.910 248 L HN -0.158 7.907 8.230 -0.274 0.000 0.437 249 E N -0.592 119.513 120.200 -0.158 0.000 2.106 249 E HA -0.397 3.964 4.350 0.018 0.000 0.192 249 E C 2.494 179.130 176.600 0.059 0.000 0.984 249 E CA 3.572 59.966 56.400 -0.010 0.000 0.806 249 E CB -0.326 29.380 29.700 0.011 0.000 0.750 249 E HN -0.104 8.135 8.360 -0.203 0.000 0.458 250 K N -0.489 119.921 120.400 0.017 0.000 2.025 250 K HA -0.314 4.035 4.320 0.048 0.000 0.207 250 K C 2.503 179.129 176.600 0.043 0.000 1.049 250 K CA 3.470 59.776 56.287 0.032 0.000 0.933 250 K CB -0.156 32.347 32.500 0.005 0.000 0.714 250 K HN -0.495 7.744 8.250 -0.017 0.000 0.438 251 R N -1.474 119.040 120.500 0.024 0.000 2.081 251 R HA -0.328 4.024 4.340 0.020 0.000 0.235 251 R C 2.387 178.727 176.300 0.067 0.000 1.131 251 R CA 3.399 59.516 56.100 0.029 0.000 0.960 251 R CB -0.021 30.280 30.300 0.002 0.000 0.856 251 R HN -0.591 7.678 8.270 -0.002 0.000 0.436 252 Y N 0.635 120.915 120.300 -0.034 0.000 2.145 252 Y HA -0.297 4.340 4.550 -0.023 -0.100 0.286 252 Y C 2.381 178.288 175.900 0.011 0.000 1.145 252 Y CA 3.142 61.233 58.100 -0.015 0.000 1.148 252 Y CB -0.009 38.448 38.460 -0.006 0.000 0.981 252 Y HN 0.140 8.531 8.280 0.186 0.000 0.507 253 S N -0.169 115.612 115.700 0.136 0.000 2.356 253 S HA -0.337 4.169 4.470 0.060 0.000 0.223 253 S C 2.261 176.893 174.600 0.054 0.000 1.032 253 S CA 3.102 61.351 58.200 0.082 0.000 1.005 253 S CB -0.072 63.203 63.200 0.125 0.000 0.867 253 S HN -0.430 8.005 8.310 0.208 0.000 0.449 254 M N -1.191 118.443 119.600 0.057 0.000 2.374 254 M HA -0.172 4.375 4.480 0.111 0.000 0.264 254 M C 1.252 177.616 176.300 0.107 0.000 1.067 254 M CA 3.234 58.585 55.300 0.084 0.000 1.103 254 M CB 0.471 33.106 32.600 0.058 0.000 1.402 254 M HN -0.381 7.943 8.290 0.056 0.000 0.444 255 T N -6.939 107.594 114.554 -0.035 0.000 3.134 255 T HA 0.289 4.513 4.350 -0.210 0.000 0.260 255 T C 0.324 174.805 174.700 -0.365 0.000 1.027 255 T CA -1.210 60.757 62.100 -0.221 0.000 0.913 255 T CB 0.205 68.912 68.868 -0.268 0.000 1.046 255 T HN -0.608 7.548 8.240 -0.067 0.044 0.553 256 E N 3.703 123.764 120.200 -0.232 0.000 2.118 256 E HA -0.458 3.590 4.350 -0.503 0.000 0.195 256 E C 1.444 177.778 176.600 -0.444 0.000 0.992 256 E CA 3.636 59.815 56.400 -0.369 0.000 0.804 256 E CB -0.077 29.492 29.700 -0.219 0.000 0.741 256 E HN -0.867 7.372 8.360 -0.101 0.061 0.458 257 H N -4.101 114.886 119.070 -0.139 0.000 2.457 257 H HA -0.219 4.282 4.556 -0.092 0.000 0.297 257 H C 1.973 177.233 175.328 -0.112 0.000 1.092 257 H CA 2.010 58.041 56.048 -0.028 0.000 1.309 257 H CB -0.699 29.182 29.762 0.198 0.000 1.382 257 H HN 0.303 8.677 8.280 0.185 0.017 0.535 258 K N -2.046 117.941 120.400 -0.688 0.000 2.366 258 K HA -0.077 4.051 4.320 -0.319 0.000 0.198 258 K C 0.746 177.288 176.600 -0.096 0.000 1.044 258 K CA 1.701 57.745 56.287 -0.405 0.000 0.973 258 K CB 0.181 32.321 32.500 -0.600 0.000 0.767 258 K HN -0.405 7.143 8.250 -0.928 0.146 0.475 259 R N -3.942 116.437 120.500 -0.202 0.000 2.546 259 R HA 0.127 4.438 4.340 -0.048 0.000 0.320 259 R C -0.542 175.621 176.300 -0.228 0.000 1.021 259 R CA -0.332 55.678 56.100 -0.149 0.000 1.088 259 R CB 0.440 30.634 30.300 -0.176 0.000 1.278 259 R HN -0.514 7.386 8.270 -0.328 0.173 0.557 260 Q N -1.337 118.303 119.800 -0.268 0.000 2.451 260 Q HA 0.251 4.462 4.340 -0.215 0.000 0.281 260 Q C -1.039 174.959 176.000 -0.004 0.000 1.099 260 Q CA -1.955 53.695 55.803 -0.256 0.000 0.806 260 Q CB 3.650 31.979 28.738 -0.681 0.000 1.419 260 Q HN -0.676 7.380 8.270 -0.242 0.069 0.427 261 V N -1.718 118.248 119.914 0.087 0.000 3.237 261 V HA 0.125 4.351 4.120 0.177 0.000 0.305 261 V C -1.578 174.670 176.094 0.255 0.000 1.096 261 V CA -2.238 60.166 62.300 0.172 0.000 1.130 261 V CB -1.196 30.719 31.823 0.154 0.000 1.048 261 V HN 0.197 8.426 8.190 0.065 0.000 0.484 262 P HA -0.083 4.506 4.420 0.281 0.000 0.265 262 P C -1.081 176.375 177.300 0.260 0.000 1.187 262 P CA 0.576 63.826 63.100 0.250 0.000 0.766 262 P CB 0.247 32.053 31.700 0.177 0.000 0.820 263 A N 2.800 125.760 122.820 0.235 0.000 2.440 263 A HA -0.034 4.628 4.320 0.312 -0.155 0.251 263 A C -0.288 177.306 177.584 0.016 0.000 1.089 263 A CA -0.092 52.021 52.037 0.127 0.000 0.779 263 A CB 0.531 19.382 19.000 -0.249 0.000 1.022 263 A HN -0.015 8.263 8.150 0.214 0.000 0.492 264 S N 3.899 119.662 115.700 0.106 0.000 2.709 264 S HA 0.384 4.858 4.470 0.006 0.000 0.302 264 S C 0.865 175.541 174.600 0.127 0.000 1.127 264 S CA -1.320 56.939 58.200 0.098 0.000 0.905 264 S CB 2.087 65.438 63.200 0.252 0.000 1.151 264 S HN 0.257 9.034 8.310 0.207 -0.344 0.510 265 M N -2.819 116.760 119.600 -0.034 0.000 2.460 265 M HA -0.072 4.508 4.480 0.167 0.000 0.263 265 M C -0.425 175.742 176.300 -0.221 0.000 1.071 265 M CA 2.807 58.041 55.300 -0.110 0.000 1.096 265 M CB -0.201 32.191 32.600 -0.347 0.000 1.408 265 M HN 0.304 8.544 8.290 -0.084 0.000 0.463 266 F N -3.314 116.723 119.950 0.146 0.000 2.710 266 F HA -0.094 4.478 4.527 0.075 0.000 0.298 266 F C 0.250 176.115 175.800 0.108 0.000 1.137 266 F CA 0.570 58.632 58.000 0.103 0.000 1.444 266 F CB 0.075 39.127 39.000 0.088 0.000 1.111 266 F HN -0.939 7.299 8.300 -0.005 0.058 0.580 267 D N 0.041 120.614 120.400 0.287 0.000 2.264 267 D HA 0.085 4.868 4.640 0.238 0.000 0.249 267 D C -0.247 175.994 176.300 -0.097 0.000 1.070 267 D CA 0.379 54.506 54.000 0.211 0.000 0.912 267 D CB 1.028 42.015 40.800 0.312 0.000 1.193 267 D HN -0.773 7.631 8.370 0.325 0.161 0.427 268 D N 0.686 121.004 120.400 -0.138 0.000 2.423 268 D HA 0.068 4.360 4.640 -0.581 0.000 0.208 268 D C 1.475 177.539 176.300 -0.394 0.000 1.068 268 D CA 1.568 55.355 54.000 -0.354 0.000 0.860 268 D CB 0.596 41.309 40.800 -0.145 0.000 0.992 268 D HN 0.313 8.705 8.370 0.036 0.000 0.504 269 W N 0.332 121.580 121.300 -0.088 0.000 2.392 269 W HA -0.189 4.453 4.660 -0.029 0.000 0.279 269 W C -0.211 176.315 176.519 0.012 0.000 1.225 269 W CA 1.874 59.215 57.345 -0.006 0.000 1.233 269 W CB -1.165 28.345 29.460 0.083 0.000 1.122 269 W HN -0.319 7.865 8.180 0.007 0.000 0.561 270 W N -5.147 115.716 121.300 -0.728 0.000 3.003 270 W HA 0.209 4.647 4.660 -0.370 0.000 0.257 270 W C -0.472 175.875 176.519 -0.288 0.000 1.308 270 W CA -2.125 54.799 57.345 -0.702 0.000 1.529 270 W CB -0.143 28.562 29.460 -1.259 0.000 1.115 270 W HN -0.331 7.066 8.180 -1.224 0.049 0.659 271 K N 0.000 119.965 120.400 -0.725 0.000 2.780 271 K HA 0.000 3.931 4.320 -0.649 0.000 0.191 271 K CA 0.000 55.905 56.287 -0.637 0.000 0.838 271 K CB 0.000 31.993 32.500 -0.845 0.000 1.064 271 K HN 0.000 7.671 8.250 -0.866 0.059 0.543