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 2ehd_1_B DATA FIRST_RESID 2 DATA SEQUENCE EGMKGAVLIT GASRGIGEAT ARLLHAKGYR VGLMARDEKR LQALAAELEG DATA SEQUENCE ALPLPGDVRE EGDWARAVAA MEEAFGELSA LVNNAGVGVM KPVHELTLEE DATA SEQUENCE WRLVLDTNLT GAFLGIRHAV PALLRRGGGT IVNVGSLAGK NPFKGGAAYN DATA SEQUENCE ASKFGLLGLA GAAMLDLREA NVRVVNVLPG SVXXXXXXXX XXXXXKLKPE DATA SEQUENCE DVAQAVLFAL EMPGHAMVSE IELRPT 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 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 2 E C 0.000 176.561 176.600 -0.065 0.000 1.382 2 E CA 0.000 56.361 56.400 -0.066 0.000 0.976 2 E CB 0.000 29.668 29.700 -0.053 0.000 0.812 3 G N 2.731 111.478 108.800 -0.088 0.000 2.188 3 G HA2 -0.094 4.009 3.960 0.238 0.000 0.112 3 G HA3 -0.094 4.009 3.960 0.238 0.000 0.112 3 G C 0.180 175.036 174.900 -0.073 0.000 1.048 3 G CA 0.079 45.135 45.100 -0.074 0.000 0.720 3 G HN 0.412 8.702 8.290 -0.000 0.000 0.487 4 M N -2.015 117.519 119.600 -0.110 0.000 5.337 4 M HA 0.567 5.189 4.480 0.238 0.000 0.630 4 M C 0.359 176.561 176.300 -0.163 0.000 2.346 4 M CA -0.604 54.635 55.300 -0.103 0.000 0.364 4 M CB 0.529 33.090 32.600 -0.065 0.000 1.453 4 M HN -0.042 8.248 8.290 -0.000 0.000 0.676 5 K N 1.324 121.564 120.400 -0.267 0.000 2.284 5 K HA 0.672 5.134 4.320 0.238 0.000 0.198 5 K C 0.584 176.935 176.600 -0.415 0.000 1.048 5 K CA 1.460 57.466 56.287 -0.469 0.000 0.987 5 K CB 0.678 32.676 32.500 -0.837 0.000 0.800 5 K HN 0.800 9.050 8.250 -0.000 0.000 0.486 6 G N -1.496 107.175 108.800 -0.216 0.000 2.353 6 G HA2 0.408 4.511 3.960 0.238 0.000 0.308 6 G HA3 0.408 4.511 3.960 0.238 0.000 0.308 6 G C -1.810 173.084 174.900 -0.009 0.000 1.418 6 G CA -0.510 44.583 45.100 -0.012 0.000 0.966 6 G HN 0.218 8.508 8.290 -0.000 0.000 0.638 7 A N -0.197 122.624 122.820 0.002 0.000 2.332 7 A HA 0.798 5.260 4.320 0.238 0.000 0.300 7 A C -0.496 177.091 177.584 0.004 0.000 1.153 7 A CA -0.549 51.424 52.037 -0.107 0.000 0.764 7 A CB 1.529 20.507 19.000 -0.037 0.000 1.174 7 A HN 1.743 9.893 8.150 -0.000 0.000 0.467 8 V N 3.231 123.135 119.914 -0.017 0.000 2.495 8 V HA 0.461 4.723 4.120 0.238 0.000 0.298 8 V C -0.503 175.610 176.094 0.032 0.000 1.031 8 V CA -0.643 61.662 62.300 0.008 0.000 0.871 8 V CB 1.477 33.269 31.823 -0.052 0.000 0.988 8 V HN 0.820 9.010 8.190 -0.000 0.000 0.432 9 L N 6.528 127.793 121.223 0.069 0.000 2.275 9 L HA 0.656 5.138 4.340 0.238 0.000 0.288 9 L C -0.569 176.344 176.870 0.073 0.000 1.046 9 L CA 0.277 55.172 54.840 0.091 0.000 0.805 9 L CB 0.843 42.991 42.059 0.148 0.000 1.193 9 L HN 0.547 8.777 8.230 -0.000 0.000 0.426 10 I N 3.962 124.556 120.570 0.040 0.000 2.465 10 I HA 0.419 4.731 4.170 0.238 0.000 0.291 10 I C 0.049 176.170 176.117 0.007 0.000 1.014 10 I CA -0.555 60.762 61.300 0.029 0.000 1.093 10 I CB 2.156 40.159 38.000 0.006 0.000 1.267 10 I HN 0.687 8.897 8.210 -0.000 0.000 0.431 11 T N 0.991 115.563 114.554 0.029 0.000 2.928 11 T HA 0.571 5.064 4.350 0.238 0.000 0.284 11 T C 0.889 175.591 174.700 0.002 0.000 1.008 11 T CA -0.060 62.034 62.100 -0.010 0.000 1.057 11 T CB 1.619 70.513 68.868 0.044 0.000 1.018 11 T HN 1.098 9.338 8.240 -0.000 0.000 0.493 12 G N 0.488 109.278 108.800 -0.016 0.000 2.273 12 G HA2 -0.084 4.019 3.960 0.238 0.000 0.280 12 G HA3 -0.084 4.019 3.960 0.238 0.000 0.280 12 G C 0.856 175.752 174.900 -0.006 0.000 1.047 12 G CA 0.107 45.205 45.100 -0.003 0.000 0.869 12 G HN 1.476 9.766 8.290 -0.000 0.000 0.502 13 A N -0.011 122.798 122.820 -0.018 0.000 2.119 13 A HA 0.340 4.802 4.320 0.238 0.000 0.216 13 A C 2.513 180.087 177.584 -0.017 0.000 1.152 13 A CA 2.013 54.041 52.037 -0.016 0.000 0.708 13 A CB -0.367 18.621 19.000 -0.020 0.000 0.805 13 A HN 1.740 9.890 8.150 -0.000 0.000 0.460 14 S N -0.127 115.561 115.700 -0.020 0.000 2.515 14 S HA 0.051 4.663 4.470 0.238 0.000 0.231 14 S C 0.787 175.380 174.600 -0.013 0.000 0.987 14 S CA 0.344 58.532 58.200 -0.019 0.000 0.936 14 S CB -0.271 62.917 63.200 -0.021 0.000 0.766 14 S HN 0.801 9.111 8.310 -0.000 0.000 0.528 15 R N -2.046 118.449 120.500 -0.008 0.000 2.733 15 R HA 0.623 5.106 4.340 0.238 0.000 0.272 15 R C 0.805 177.105 176.300 0.001 0.000 1.029 15 R CA -0.621 55.477 56.100 -0.004 0.000 0.888 15 R CB -0.149 30.149 30.300 -0.003 0.000 1.251 15 R HN 0.262 8.532 8.270 -0.000 0.000 0.464 16 G N 1.293 110.094 108.800 0.002 0.000 2.652 16 G HA2 -0.391 3.712 3.960 0.238 0.000 0.318 16 G HA3 -0.391 3.712 3.960 0.238 0.000 0.318 16 G C 0.899 175.802 174.900 0.006 0.000 1.295 16 G CA 0.845 45.949 45.100 0.005 0.000 0.999 16 G HN 0.655 8.945 8.290 -0.000 0.000 0.548 17 I N 1.676 122.253 120.570 0.011 0.000 2.163 17 I HA -0.119 4.194 4.170 0.238 0.000 0.243 17 I C 3.174 179.294 176.117 0.005 0.000 1.085 17 I CA 1.901 63.207 61.300 0.010 0.000 1.347 17 I CB -0.936 37.073 38.000 0.015 0.000 1.044 17 I HN 0.634 8.844 8.210 -0.000 0.000 0.408 18 G N 0.537 109.341 108.800 0.007 0.000 2.491 18 G HA2 -0.345 3.757 3.960 0.238 0.000 0.218 18 G HA3 -0.345 3.757 3.960 0.238 0.000 0.218 18 G C 1.547 176.444 174.900 -0.004 0.000 1.180 18 G CA 1.216 46.318 45.100 0.002 0.000 0.774 18 G HN 0.533 8.823 8.290 -0.000 0.000 0.562 19 E N 0.568 120.765 120.200 -0.005 0.000 2.072 19 E HA 0.002 4.495 4.350 0.238 0.000 0.191 19 E C 2.724 179.320 176.600 -0.006 0.000 0.985 19 E CA 1.038 57.432 56.400 -0.009 0.000 0.801 19 E CB -0.312 29.382 29.700 -0.010 0.000 0.750 19 E HN 0.335 8.695 8.360 -0.000 0.000 0.452 20 A N 0.334 123.153 122.820 -0.002 0.000 1.972 20 A HA -0.147 4.316 4.320 0.238 0.000 0.219 20 A C 2.341 179.926 177.584 0.001 0.000 1.169 20 A CA 1.924 53.962 52.037 0.002 0.000 0.635 20 A CB -0.803 18.199 19.000 0.003 0.000 0.810 20 A HN 0.359 8.509 8.150 -0.000 0.000 0.446 21 T N 0.072 114.622 114.554 -0.006 0.000 2.812 21 T HA 0.085 4.578 4.350 0.238 0.000 0.264 21 T C 2.253 176.943 174.700 -0.016 0.000 1.042 21 T CA 1.276 63.365 62.100 -0.018 0.000 1.140 21 T CB -0.378 68.474 68.868 -0.027 0.000 0.870 21 T HN 0.577 8.817 8.240 -0.000 0.000 0.445 22 A N 2.134 124.950 122.820 -0.007 0.000 1.877 22 A HA -0.138 4.325 4.320 0.238 0.000 0.216 22 A C 2.389 179.992 177.584 0.032 0.000 1.186 22 A CA 1.427 53.466 52.037 0.004 0.000 0.620 22 A CB -0.514 18.480 19.000 -0.010 0.000 0.822 22 A HN 0.395 8.545 8.150 -0.000 0.000 0.443 23 R N -1.262 119.250 120.500 0.019 0.000 2.081 23 R HA -0.119 4.363 4.340 0.238 0.000 0.235 23 R C 2.153 178.504 176.300 0.084 0.000 1.131 23 R CA 1.476 57.600 56.100 0.039 0.000 0.960 23 R CB -0.596 29.715 30.300 0.019 0.000 0.856 23 R HN 0.487 8.757 8.270 -0.000 0.000 0.436 24 L N 1.101 122.357 121.223 0.054 0.000 1.988 24 L HA -0.120 4.363 4.340 0.238 0.000 0.207 24 L C 2.080 178.998 176.870 0.080 0.000 1.071 24 L CA 1.616 56.490 54.840 0.057 0.000 0.744 24 L CB -0.514 41.562 42.059 0.027 0.000 0.893 24 L HN 0.119 8.349 8.230 -0.000 0.000 0.433 25 L N -0.768 120.481 121.223 0.042 0.000 2.043 25 L HA -0.295 4.188 4.340 0.238 0.000 0.212 25 L C 2.749 179.743 176.870 0.206 0.000 1.075 25 L CA 1.763 56.632 54.840 0.048 0.000 0.752 25 L CB -1.068 40.908 42.059 -0.138 0.000 0.891 25 L HN 0.546 8.776 8.230 -0.000 0.000 0.432 26 H N 0.406 119.514 119.070 0.065 0.000 2.357 26 H HA -0.102 4.596 4.556 0.236 0.000 0.301 26 H C 2.103 177.464 175.328 0.055 0.000 1.082 26 H CA 1.481 57.562 56.048 0.055 0.000 1.342 26 H CB 0.339 30.116 29.762 0.024 0.000 1.389 26 H HN 0.304 8.584 8.280 -0.000 0.000 0.511 27 A N 1.387 124.296 122.820 0.147 0.000 2.019 27 A HA -0.090 4.372 4.320 0.238 0.000 0.219 27 A C 2.123 179.718 177.584 0.018 0.000 1.164 27 A CA 1.070 53.150 52.037 0.073 0.000 0.644 27 A CB -0.138 18.922 19.000 0.100 0.000 0.805 27 A HN 0.224 8.374 8.150 -0.000 0.000 0.449 28 K N -1.190 119.254 120.400 0.072 0.000 2.444 28 K HA 0.174 4.636 4.320 0.238 0.000 0.193 28 K C 1.104 177.701 176.600 -0.006 0.000 1.024 28 K CA 0.743 57.081 56.287 0.085 0.000 1.077 28 K CB -0.009 32.623 32.500 0.218 0.000 0.833 28 K HN 0.761 9.011 8.250 -0.000 0.000 0.517 29 G N 0.667 109.420 108.800 -0.079 0.000 2.179 29 G HA2 -0.254 3.849 3.960 0.238 0.000 0.220 29 G HA3 -0.254 3.849 3.960 0.238 0.000 0.220 29 G C -0.311 174.448 174.900 -0.235 0.000 0.990 29 G CA -0.399 44.585 45.100 -0.194 0.000 0.646 29 G HN 0.233 8.523 8.290 -0.000 0.000 0.517 30 Y N 1.703 121.923 120.300 -0.133 0.000 2.319 30 Y HA 0.636 5.329 4.550 0.238 0.000 0.328 30 Y C 1.219 177.005 175.900 -0.190 0.000 1.133 30 Y CA -0.649 57.369 58.100 -0.137 0.000 1.265 30 Y CB 0.632 39.038 38.460 -0.090 0.000 1.218 30 Y HN -0.022 8.258 8.280 -0.000 0.000 0.508 31 R N 2.374 122.775 120.500 -0.165 0.000 2.438 31 R HA 0.434 4.917 4.340 0.238 0.000 0.287 31 R C -0.743 175.329 176.300 -0.379 0.000 1.077 31 R CA -0.494 55.324 56.100 -0.471 0.000 1.034 31 R CB 0.694 30.332 30.300 -1.105 0.000 0.993 31 R HN 0.585 8.855 8.270 -0.000 0.000 0.459 32 V N -1.356 118.422 119.914 -0.227 0.000 2.823 32 V HA 0.885 5.147 4.120 0.238 0.000 0.312 32 V C 0.117 176.262 176.094 0.084 0.000 1.072 32 V CA -1.072 61.199 62.300 -0.048 0.000 0.937 32 V CB 2.225 34.069 31.823 0.035 0.000 1.013 32 V HN 0.729 8.919 8.190 -0.000 0.000 0.430 33 G N 3.391 112.257 108.800 0.110 0.000 2.417 33 G HA2 0.644 4.746 3.960 0.238 0.000 0.320 33 G HA3 0.644 4.746 3.960 0.238 0.000 0.320 33 G C -0.844 174.091 174.900 0.058 0.000 1.204 33 G CA -0.858 44.332 45.100 0.149 0.000 0.923 33 G HN 0.891 9.181 8.290 -0.000 0.000 0.466 34 L N 2.906 124.150 121.223 0.034 0.000 2.272 34 L HA 0.448 4.930 4.340 0.238 0.000 0.284 34 L C 0.253 177.098 176.870 -0.041 0.000 1.045 34 L CA -0.375 54.461 54.840 -0.007 0.000 0.842 34 L CB 1.217 43.270 42.059 -0.010 0.000 1.224 34 L HN 0.392 8.622 8.230 -0.000 0.000 0.430 35 M N 3.824 123.382 119.600 -0.070 0.000 2.180 35 M HA 0.779 5.402 4.480 0.238 0.000 0.350 35 M C -0.595 175.636 176.300 -0.114 0.000 1.125 35 M CA -0.050 55.172 55.300 -0.131 0.000 1.031 35 M CB 1.474 33.932 32.600 -0.235 0.000 1.623 35 M HN 0.758 9.048 8.290 -0.000 0.000 0.451 36 A N 4.392 127.146 122.820 -0.110 0.000 2.515 36 A HA 0.494 4.957 4.320 0.238 0.000 0.292 36 A C -0.358 177.178 177.584 -0.079 0.000 1.065 36 A CA -0.780 51.208 52.037 -0.082 0.000 0.641 36 A CB 1.160 20.129 19.000 -0.052 0.000 1.306 36 A HN 0.898 9.048 8.150 -0.000 0.000 0.441 37 R N -0.050 120.415 120.500 -0.058 0.000 2.112 37 R HA 0.026 4.509 4.340 0.238 0.000 0.216 37 R C -0.246 176.031 176.300 -0.039 0.000 1.080 37 R CA 0.523 56.593 56.100 -0.050 0.000 0.996 37 R CB 0.100 30.378 30.300 -0.036 0.000 0.902 37 R HN 0.735 9.005 8.270 -0.000 0.000 0.449 38 D N 2.160 122.541 120.400 -0.032 0.000 2.367 38 D HA -0.059 4.724 4.640 0.238 0.000 0.255 38 D C 0.717 177.000 176.300 -0.029 0.000 1.300 38 D CA 0.355 54.340 54.000 -0.026 0.000 0.959 38 D CB 0.789 41.577 40.800 -0.020 0.000 1.064 38 D HN 0.163 8.533 8.370 -0.000 0.000 0.509 39 E N 3.354 123.537 120.200 -0.029 0.000 2.077 39 E HA -0.195 4.298 4.350 0.238 0.000 0.193 39 E C 1.433 178.018 176.600 -0.024 0.000 0.989 39 E CA 0.876 57.258 56.400 -0.029 0.000 0.800 39 E CB 0.359 30.042 29.700 -0.028 0.000 0.746 39 E HN 0.392 8.752 8.360 -0.000 0.000 0.452 40 K N 0.102 120.490 120.400 -0.020 0.000 2.032 40 K HA -0.155 4.308 4.320 0.238 0.000 0.209 40 K C 2.323 178.912 176.600 -0.018 0.000 1.048 40 K CA 1.396 57.672 56.287 -0.018 0.000 0.927 40 K CB -0.092 32.399 32.500 -0.015 0.000 0.712 40 K HN 0.079 8.329 8.250 -0.000 0.000 0.441 41 R N 0.628 121.117 120.500 -0.019 0.000 2.096 41 R HA -0.074 4.409 4.340 0.238 0.000 0.235 41 R C 2.414 178.700 176.300 -0.022 0.000 1.127 41 R CA 0.964 57.052 56.100 -0.019 0.000 0.968 41 R CB -0.321 29.968 30.300 -0.018 0.000 0.861 41 R HN 0.178 8.448 8.270 -0.000 0.000 0.440 42 L N 0.663 121.871 121.223 -0.025 0.000 2.046 42 L HA -0.221 4.262 4.340 0.238 0.000 0.208 42 L C 2.630 179.485 176.870 -0.025 0.000 1.077 42 L CA 1.180 56.004 54.840 -0.027 0.000 0.747 42 L CB -0.417 41.623 42.059 -0.032 0.000 0.896 42 L HN 0.184 8.414 8.230 -0.000 0.000 0.432 43 Q N -0.209 119.578 119.800 -0.023 0.000 2.084 43 Q HA -0.189 4.293 4.340 0.238 0.000 0.202 43 Q C 2.415 178.403 176.000 -0.020 0.000 0.978 43 Q CA 1.821 57.613 55.803 -0.020 0.000 0.844 43 Q CB -0.540 28.187 28.738 -0.018 0.000 0.898 43 Q HN 0.543 8.813 8.270 -0.000 0.000 0.426 44 A N 0.912 123.720 122.820 -0.020 0.000 1.877 44 A HA -0.170 4.293 4.320 0.238 0.000 0.216 44 A C 2.137 179.705 177.584 -0.027 0.000 1.186 44 A CA 1.502 53.527 52.037 -0.020 0.000 0.620 44 A CB -0.681 18.308 19.000 -0.018 0.000 0.822 44 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 45 L N -0.419 120.785 121.223 -0.031 0.000 2.141 45 L HA 0.046 4.528 4.340 0.238 0.000 0.209 45 L C 2.592 179.428 176.870 -0.057 0.000 1.094 45 L CA 1.932 56.747 54.840 -0.042 0.000 0.763 45 L CB -0.727 41.308 42.059 -0.039 0.000 0.908 45 L HN 0.333 8.563 8.230 -0.000 0.000 0.437 46 A N -0.546 122.248 122.820 -0.044 0.000 1.972 46 A HA -0.054 4.409 4.320 0.238 0.000 0.219 46 A C 2.426 179.983 177.584 -0.045 0.000 1.169 46 A CA 1.508 53.520 52.037 -0.043 0.000 0.635 46 A CB -0.952 18.037 19.000 -0.019 0.000 0.810 46 A HN 0.536 8.686 8.150 -0.000 0.000 0.446 47 A N -0.069 122.731 122.820 -0.034 0.000 1.969 47 A HA -0.116 4.346 4.320 0.238 0.000 0.218 47 A C 1.818 179.382 177.584 -0.034 0.000 1.169 47 A CA 1.426 53.448 52.037 -0.025 0.000 0.635 47 A CB -0.421 18.569 19.000 -0.017 0.000 0.810 47 A HN 0.626 8.776 8.150 -0.000 0.000 0.445 48 E N -0.809 119.360 120.200 -0.051 0.000 2.347 48 E HA 0.045 4.538 4.350 0.238 0.000 0.196 48 E C -0.532 176.007 176.600 -0.102 0.000 1.008 48 E CA 0.280 56.646 56.400 -0.056 0.000 0.852 48 E CB -0.077 29.592 29.700 -0.052 0.000 0.783 48 E HN 0.541 8.901 8.360 -0.000 0.000 0.505 49 L N 1.651 122.768 121.223 -0.177 0.000 2.388 49 L HA 0.282 4.764 4.340 0.238 0.000 0.267 49 L C -0.206 176.550 176.870 -0.191 0.000 0.995 49 L CA -0.600 53.991 54.840 -0.415 0.000 0.864 49 L CB 1.591 43.170 42.059 -0.799 0.000 1.216 49 L HN -0.050 8.180 8.230 -0.000 0.000 0.430 50 E N 2.281 122.505 120.200 0.041 0.000 2.465 50 E HA 0.226 4.718 4.350 0.238 0.000 0.260 50 E C 1.203 177.948 176.600 0.242 0.000 0.980 50 E CA 1.156 57.636 56.400 0.134 0.000 0.927 50 E CB 0.643 30.425 29.700 0.136 0.000 0.934 50 E HN 0.795 9.155 8.360 -0.000 0.000 0.459 51 G N 2.830 111.735 108.800 0.175 0.000 2.268 51 G HA2 -0.345 3.758 3.960 0.238 0.000 0.240 51 G HA3 -0.345 3.758 3.960 0.238 0.000 0.240 51 G C 0.363 175.434 174.900 0.284 0.000 1.010 51 G CA 0.055 45.298 45.100 0.239 0.000 0.618 51 G HN 0.974 9.264 8.290 -0.000 0.000 0.516 52 A N 0.389 123.319 122.820 0.184 0.000 2.546 52 A HA 0.520 4.983 4.320 0.238 0.000 0.243 52 A C 0.302 177.983 177.584 0.161 0.000 1.063 52 A CA 0.729 52.853 52.037 0.145 0.000 0.757 52 A CB 0.437 19.425 19.000 -0.020 0.000 0.991 52 A HN 1.479 9.629 8.150 -0.000 0.000 0.503 53 L N 6.246 127.607 121.223 0.229 0.000 2.261 53 L HA 0.419 4.902 4.340 0.238 0.000 0.289 53 L C -2.052 174.859 176.870 0.068 0.000 1.059 53 L CA -1.933 52.996 54.840 0.147 0.000 0.816 53 L CB 1.207 43.383 42.059 0.195 0.000 1.191 53 L HN 0.451 8.681 8.230 -0.000 0.000 0.431 54 P HA 0.125 4.545 4.420 -0.000 0.000 0.280 54 P C -0.879 176.409 177.300 -0.021 0.000 1.300 54 P CA 0.047 63.144 63.100 -0.005 0.000 0.785 54 P CB 0.455 32.148 31.700 -0.012 0.000 0.874 55 L N 6.222 127.424 121.223 -0.035 0.000 2.679 55 L HA 0.318 4.801 4.340 0.238 0.000 0.238 55 L C -1.901 174.914 176.870 -0.092 0.000 1.330 55 L CA -2.216 52.586 54.840 -0.062 0.000 0.935 55 L CB 1.116 43.136 42.059 -0.066 0.000 1.243 55 L HN 0.145 8.375 8.230 -0.000 0.000 0.484 56 P HA 0.208 4.628 4.420 -0.000 0.000 0.265 56 P C 0.083 177.317 177.300 -0.111 0.000 1.193 56 P CA 0.611 63.661 63.100 -0.084 0.000 0.765 56 P CB 1.566 33.230 31.700 -0.060 0.000 0.823 57 G N 1.110 109.832 108.800 -0.130 0.000 2.338 57 G HA2 0.266 4.368 3.960 0.238 0.000 0.295 57 G HA3 0.266 4.368 3.960 0.238 0.000 0.295 57 G C -2.214 172.582 174.900 -0.173 0.000 1.461 57 G CA -0.553 44.451 45.100 -0.160 0.000 0.817 57 G HN 0.495 8.785 8.290 -0.000 0.000 0.556 58 D N 0.495 120.800 120.400 -0.159 0.000 2.392 58 D HA 0.383 5.166 4.640 0.238 0.000 0.228 58 D C 1.862 178.077 176.300 -0.142 0.000 1.074 58 D CA -0.027 53.904 54.000 -0.115 0.000 0.838 58 D CB 1.672 42.442 40.800 -0.050 0.000 1.067 58 D HN 0.735 9.105 8.370 -0.000 0.000 0.511 59 V N 2.882 122.718 119.914 -0.130 0.000 2.982 59 V HA -0.176 4.086 4.120 0.238 0.000 0.265 59 V C 1.769 178.047 176.094 0.307 0.000 1.122 59 V CA 1.241 63.561 62.300 0.032 0.000 1.143 59 V CB -0.708 31.246 31.823 0.218 0.000 0.726 59 V HN 0.429 8.619 8.190 -0.000 0.000 0.507 60 R N 0.297 120.890 120.500 0.155 0.000 2.236 60 R HA 0.130 4.612 4.340 0.238 0.000 0.208 60 R C 0.332 176.731 176.300 0.165 0.000 1.036 60 R CA 0.399 56.596 56.100 0.161 0.000 1.001 60 R CB 0.042 30.399 30.300 0.095 0.000 0.896 60 R HN 0.545 8.815 8.270 -0.000 0.000 0.464 61 E N 1.086 121.368 120.200 0.137 0.000 2.109 61 E HA 0.051 4.544 4.350 0.238 0.000 0.278 61 E C 0.085 176.780 176.600 0.158 0.000 0.954 61 E CA -0.089 56.376 56.400 0.108 0.000 0.779 61 E CB 1.548 31.267 29.700 0.032 0.000 1.093 61 E HN 0.152 8.512 8.360 -0.000 0.000 0.401 62 E N 2.116 122.402 120.200 0.144 0.000 2.160 62 E HA -0.169 4.323 4.350 0.238 0.000 0.195 62 E C 1.729 178.286 176.600 -0.072 0.000 0.991 62 E CA 1.121 57.570 56.400 0.081 0.000 0.810 62 E CB 0.101 29.887 29.700 0.144 0.000 0.742 62 E HN 0.685 9.045 8.360 -0.000 0.000 0.466 63 G N 1.470 110.261 108.800 -0.015 0.000 2.440 63 G HA2 -0.274 3.829 3.960 0.238 0.000 0.218 63 G HA3 -0.274 3.829 3.960 0.238 0.000 0.218 63 G C 1.123 175.981 174.900 -0.070 0.000 1.154 63 G CA 1.038 46.113 45.100 -0.042 0.000 0.767 63 G HN 0.162 8.452 8.290 -0.000 0.000 0.552 64 D N -0.300 120.056 120.400 -0.073 0.000 2.183 64 D HA -0.051 4.732 4.640 0.238 0.000 0.203 64 D C 2.016 178.211 176.300 -0.175 0.000 0.969 64 D CA 0.428 54.345 54.000 -0.139 0.000 0.842 64 D CB -0.282 40.403 40.800 -0.193 0.000 0.957 64 D HN 0.578 8.948 8.370 -0.000 0.000 0.484 65 W N 1.566 122.748 121.300 -0.197 0.000 2.381 65 W HA -0.023 4.778 4.660 0.235 0.000 0.301 65 W C 2.563 178.910 176.519 -0.286 0.000 1.205 65 W CA 1.144 58.352 57.345 -0.229 0.000 1.285 65 W CB -0.193 29.102 29.460 -0.275 0.000 1.133 65 W HN -0.080 8.101 8.180 -0.000 0.000 0.521 66 A N 0.525 123.217 122.820 -0.214 0.000 1.877 66 A HA -0.202 4.261 4.320 0.238 0.000 0.216 66 A C 1.933 179.506 177.584 -0.018 0.000 1.186 66 A CA 1.721 53.675 52.037 -0.137 0.000 0.620 66 A CB -0.735 18.180 19.000 -0.142 0.000 0.822 66 A HN 0.280 8.430 8.150 -0.000 0.000 0.443 67 R N -0.692 119.783 120.500 -0.041 0.000 2.092 67 R HA -0.026 4.457 4.340 0.238 0.000 0.231 67 R C 2.468 178.752 176.300 -0.026 0.000 1.119 67 R CA 1.048 57.129 56.100 -0.032 0.000 0.970 67 R CB -0.399 29.872 30.300 -0.049 0.000 0.864 67 R HN 0.528 8.798 8.270 -0.000 0.000 0.440 68 A N 0.623 123.421 122.820 -0.037 0.000 1.873 68 A HA -0.102 4.360 4.320 0.238 0.000 0.215 68 A C 2.323 179.933 177.584 0.044 0.000 1.186 68 A CA 1.280 53.297 52.037 -0.033 0.000 0.616 68 A CB -0.536 18.389 19.000 -0.125 0.000 0.823 68 A HN 0.101 8.251 8.150 -0.000 0.000 0.442 69 V N -0.079 119.899 119.914 0.107 0.000 2.343 69 V HA -0.234 4.029 4.120 0.238 0.000 0.247 69 V C 3.054 179.201 176.094 0.088 0.000 1.051 69 V CA 1.943 64.325 62.300 0.137 0.000 1.036 69 V CB -1.210 30.723 31.823 0.183 0.000 0.654 69 V HN 0.613 8.803 8.190 -0.000 0.000 0.451 70 A N -0.029 122.827 122.820 0.060 0.000 1.902 70 A HA -0.097 4.366 4.320 0.238 0.000 0.217 70 A C 2.420 180.008 177.584 0.007 0.000 1.181 70 A CA 1.993 54.050 52.037 0.033 0.000 0.623 70 A CB -0.753 18.260 19.000 0.022 0.000 0.818 70 A HN 0.567 8.717 8.150 -0.000 0.000 0.443 71 A N -0.949 121.867 122.820 -0.006 0.000 1.933 71 A HA -0.119 4.343 4.320 0.238 0.000 0.218 71 A C 2.175 179.719 177.584 -0.066 0.000 1.175 71 A CA 1.910 53.920 52.037 -0.044 0.000 0.628 71 A CB -0.468 18.505 19.000 -0.045 0.000 0.814 71 A HN 0.425 8.575 8.150 -0.000 0.000 0.444 72 M N -0.244 119.366 119.600 0.017 0.000 2.086 72 M HA -0.135 4.488 4.480 0.238 0.000 0.261 72 M C 1.939 178.288 176.300 0.080 0.000 1.067 72 M CA 1.548 56.912 55.300 0.105 0.000 1.116 72 M CB -1.432 31.289 32.600 0.202 0.000 1.348 72 M HN 0.527 8.817 8.290 -0.000 0.000 0.407 73 E N -0.488 119.749 120.200 0.062 0.000 2.150 73 E HA -0.182 4.310 4.350 0.238 0.000 0.193 73 E C 1.911 178.510 176.600 -0.001 0.000 0.985 73 E CA 0.767 57.200 56.400 0.055 0.000 0.814 73 E CB -0.052 29.678 29.700 0.050 0.000 0.752 73 E HN 0.572 8.932 8.360 -0.000 0.000 0.466 74 E N 0.134 120.304 120.200 -0.051 0.000 2.158 74 E HA -0.072 4.421 4.350 0.238 0.000 0.191 74 E C 1.921 178.430 176.600 -0.152 0.000 0.982 74 E CA 0.602 56.955 56.400 -0.078 0.000 0.823 74 E CB 0.123 29.780 29.700 -0.073 0.000 0.766 74 E HN 0.164 8.524 8.360 -0.000 0.000 0.468 75 A N 0.011 122.646 122.820 -0.307 0.000 1.935 75 A HA -0.041 4.421 4.320 0.238 0.000 0.214 75 A C 1.270 178.507 177.584 -0.578 0.000 1.178 75 A CA 0.802 52.493 52.037 -0.575 0.000 0.640 75 A CB -0.111 18.279 19.000 -1.017 0.000 0.825 75 A HN 0.200 8.350 8.150 -0.000 0.000 0.447 76 F N -1.270 118.693 119.950 0.022 0.000 2.682 76 F HA 0.415 5.086 4.527 0.241 0.000 0.308 76 F C 1.772 177.583 175.800 0.019 0.000 1.093 76 F CA -0.150 57.864 58.000 0.023 0.000 1.244 76 F CB 0.018 39.038 39.000 0.032 0.000 1.052 76 F HN 0.328 8.628 8.300 -0.000 0.000 0.573 77 G N 0.820 109.691 108.800 0.118 0.000 2.212 77 G HA2 -0.285 3.817 3.960 0.238 0.000 0.266 77 G HA3 -0.285 3.817 3.960 0.238 0.000 0.266 77 G C 0.160 175.115 174.900 0.092 0.000 0.978 77 G CA 0.701 45.851 45.100 0.084 0.000 0.632 77 G HN 0.535 8.825 8.290 -0.000 0.000 0.537 78 E N -2.448 117.834 120.200 0.136 0.000 2.421 78 E HA 0.624 5.116 4.350 0.238 0.000 0.276 78 E C -1.653 175.034 176.600 0.145 0.000 1.154 78 E CA -1.161 55.307 56.400 0.112 0.000 0.883 78 E CB 0.630 30.379 29.700 0.082 0.000 1.429 78 E HN 0.888 9.248 8.360 -0.000 0.000 0.436 79 L N 1.555 122.843 121.223 0.108 0.000 2.406 79 L HA 0.544 5.027 4.340 0.238 0.000 0.272 79 L C 0.103 177.018 176.870 0.075 0.000 0.980 79 L CA 0.149 55.055 54.840 0.109 0.000 0.831 79 L CB 2.058 44.181 42.059 0.107 0.000 1.253 79 L HN 0.798 9.028 8.230 -0.000 0.000 0.406 80 S N 3.097 118.838 115.700 0.069 0.000 2.497 80 S HA 0.774 5.387 4.470 0.238 0.000 0.218 80 S C 0.497 175.123 174.600 0.043 0.000 1.023 80 S CA 0.315 58.548 58.200 0.055 0.000 0.913 80 S CB 0.283 63.524 63.200 0.068 0.000 0.800 80 S HN 1.039 9.349 8.310 -0.000 0.000 0.505 81 A N 0.333 123.178 122.820 0.043 0.000 2.608 81 A HA 0.709 5.172 4.320 0.238 0.000 0.292 81 A C -2.058 175.545 177.584 0.032 0.000 1.066 81 A CA -0.717 51.332 52.037 0.020 0.000 0.676 81 A CB 1.023 20.017 19.000 -0.009 0.000 1.277 81 A HN 0.642 8.792 8.150 -0.000 0.000 0.413 82 L N 0.828 122.067 121.223 0.026 0.000 2.386 82 L HA 0.851 5.333 4.340 0.238 0.000 0.271 82 L C -1.517 175.375 176.870 0.036 0.000 0.993 82 L CA -0.491 54.385 54.840 0.060 0.000 0.819 82 L CB 2.191 44.295 42.059 0.074 0.000 1.294 82 L HN 0.561 8.791 8.230 -0.000 0.000 0.414 83 V N 4.768 124.716 119.914 0.057 0.000 2.409 83 V HA 0.483 4.746 4.120 0.238 0.000 0.290 83 V C -0.508 175.633 176.094 0.079 0.000 1.017 83 V CA -0.727 61.594 62.300 0.036 0.000 0.841 83 V CB 1.464 33.288 31.823 0.002 0.000 1.003 83 V HN 0.746 8.936 8.190 -0.000 0.000 0.426 84 N N 4.456 123.200 118.700 0.075 0.000 2.406 84 N HA 0.219 5.102 4.740 0.238 0.000 0.251 84 N C 0.463 176.015 175.510 0.070 0.000 1.069 84 N CA 0.131 53.244 53.050 0.105 0.000 0.947 84 N CB 1.017 39.553 38.487 0.081 0.000 1.111 84 N HN 0.776 9.156 8.380 -0.000 0.000 0.497 85 N N 0.936 119.681 118.700 0.074 0.000 2.118 85 N HA 0.048 4.930 4.740 0.238 0.000 0.226 85 N C -0.340 175.203 175.510 0.055 0.000 1.305 85 N CA -0.265 52.815 53.050 0.051 0.000 0.890 85 N CB 0.727 39.235 38.487 0.034 0.000 1.118 85 N HN 0.415 8.795 8.380 -0.000 0.000 0.511 86 A N 0.566 123.428 122.820 0.070 0.000 2.483 86 A HA 0.563 5.025 4.320 0.238 0.000 0.238 86 A C 0.504 178.127 177.584 0.066 0.000 1.070 86 A CA 0.605 52.679 52.037 0.061 0.000 0.770 86 A CB 0.251 19.295 19.000 0.072 0.000 1.008 86 A HN 0.289 8.439 8.150 -0.000 0.000 0.497 87 G N -0.637 108.204 108.800 0.067 0.000 2.655 87 G HA2 0.648 4.751 3.960 0.238 0.000 0.296 87 G HA3 0.648 4.751 3.960 0.238 0.000 0.296 87 G C -1.032 173.933 174.900 0.109 0.000 1.485 87 G CA 0.190 45.347 45.100 0.095 0.000 0.869 87 G HN 2.035 10.325 8.290 -0.000 0.000 0.540 88 V N -1.231 118.768 119.914 0.141 0.000 3.078 88 V HA 1.058 5.321 4.120 0.238 0.000 0.311 88 V C 0.090 176.302 176.094 0.196 0.000 1.138 88 V CA -0.443 61.930 62.300 0.121 0.000 1.007 88 V CB 1.770 33.636 31.823 0.071 0.000 1.045 88 V HN 1.876 10.066 8.190 -0.000 0.000 0.432 89 G N 0.542 109.400 108.800 0.097 0.000 2.701 89 G HA2 0.657 4.760 3.960 0.238 0.000 0.300 89 G HA3 0.657 4.760 3.960 0.238 0.000 0.300 89 G C -1.723 173.184 174.900 0.011 0.000 1.410 89 G CA -0.696 44.428 45.100 0.040 0.000 1.014 89 G HN 1.163 9.453 8.290 -0.000 0.000 0.509 90 V N 4.053 123.993 119.914 0.043 0.000 2.488 90 V HA 0.520 4.783 4.120 0.238 0.000 0.293 90 V C -0.640 175.491 176.094 0.061 0.000 1.027 90 V CA -0.774 61.552 62.300 0.042 0.000 0.862 90 V CB 1.536 33.394 31.823 0.058 0.000 1.008 90 V HN 0.767 8.957 8.190 -0.000 0.000 0.428 91 M N 5.677 125.308 119.600 0.051 0.000 2.311 91 M HA 0.766 5.388 4.480 0.238 0.000 0.325 91 M C -0.653 175.687 176.300 0.068 0.000 1.061 91 M CA -0.721 54.633 55.300 0.090 0.000 0.957 91 M CB 1.352 34.038 32.600 0.144 0.000 1.646 91 M HN 0.796 9.086 8.290 -0.000 0.000 0.434 92 K N 0.909 121.348 120.400 0.064 0.000 2.870 92 K HA 0.540 5.002 4.320 0.238 0.000 0.290 92 K C -3.451 173.157 176.600 0.015 0.000 1.070 92 K CA -1.520 54.786 56.287 0.031 0.000 0.843 92 K CB 0.115 32.620 32.500 0.008 0.000 1.475 92 K HN 0.204 8.454 8.250 -0.000 0.000 0.359 93 P HA -0.132 4.288 4.420 -0.000 0.000 0.263 93 P C 1.024 178.297 177.300 -0.046 0.000 1.175 93 P CA -0.150 62.927 63.100 -0.038 0.000 0.761 93 P CB 0.641 32.254 31.700 -0.144 0.000 0.794 94 V N 4.589 124.540 119.914 0.062 0.000 2.278 94 V HA -0.302 3.960 4.120 0.238 0.000 0.251 94 V C 2.033 178.166 176.094 0.065 0.000 1.062 94 V CA 2.510 64.858 62.300 0.079 0.000 1.038 94 V CB -1.140 30.733 31.823 0.082 0.000 0.646 94 V HN 0.730 8.920 8.190 -0.000 0.000 0.447 95 H N -0.650 118.407 119.070 -0.021 0.000 2.495 95 H HA 0.002 4.700 4.556 0.237 0.000 0.287 95 H C 1.843 177.162 175.328 -0.015 0.000 1.033 95 H CA 1.473 57.502 56.048 -0.032 0.000 1.307 95 H CB -0.431 29.312 29.762 -0.032 0.000 1.401 95 H HN 0.590 8.870 8.280 -0.000 0.000 0.555 96 E N 0.666 120.623 120.200 -0.405 0.000 2.481 96 E HA 0.168 4.660 4.350 0.238 0.000 0.195 96 E C 0.259 176.802 176.600 -0.095 0.000 1.047 96 E CA -0.290 55.951 56.400 -0.265 0.000 0.867 96 E CB 0.354 29.860 29.700 -0.323 0.000 0.858 96 E HN 0.327 8.687 8.360 -0.000 0.000 0.513 97 L N 1.858 123.056 121.223 -0.043 0.000 2.426 97 L HA 0.073 4.556 4.340 0.238 0.000 0.271 97 L C 0.880 177.772 176.870 0.037 0.000 1.169 97 L CA -0.282 54.579 54.840 0.034 0.000 0.836 97 L CB 0.757 42.883 42.059 0.112 0.000 1.112 97 L HN 0.066 8.296 8.230 -0.000 0.000 0.465 98 T N -0.102 114.488 114.554 0.059 0.000 2.874 98 T HA 0.184 4.676 4.350 0.238 0.000 0.281 98 T C 0.838 175.595 174.700 0.096 0.000 0.994 98 T CA -0.826 61.305 62.100 0.052 0.000 1.015 98 T CB 1.240 70.136 68.868 0.047 0.000 1.028 98 T HN 0.472 8.712 8.240 -0.000 0.000 0.523 99 L N 0.526 121.788 121.223 0.065 0.000 2.131 99 L HA 0.053 4.536 4.340 0.238 0.000 0.210 99 L C 2.516 179.487 176.870 0.167 0.000 1.092 99 L CA 1.999 56.895 54.840 0.094 0.000 0.759 99 L CB -1.063 41.018 42.059 0.037 0.000 0.903 99 L HN 0.985 9.215 8.230 -0.000 0.000 0.435 100 E N -0.441 119.828 120.200 0.116 0.000 2.047 100 E HA -0.240 4.253 4.350 0.238 0.000 0.191 100 E C 1.928 178.600 176.600 0.120 0.000 0.987 100 E CA 1.401 57.864 56.400 0.105 0.000 0.799 100 E CB -0.136 29.605 29.700 0.068 0.000 0.752 100 E HN 0.676 9.036 8.360 -0.000 0.000 0.449 101 E N 0.176 120.450 120.200 0.124 0.000 2.110 101 E HA -0.185 4.307 4.350 0.238 0.000 0.193 101 E C 1.789 178.484 176.600 0.157 0.000 0.988 101 E CA 0.937 57.407 56.400 0.117 0.000 0.804 101 E CB -0.375 29.388 29.700 0.105 0.000 0.745 101 E HN 0.527 8.887 8.360 -0.000 0.000 0.458 102 W N 2.166 123.480 121.300 0.023 0.000 2.381 102 W HA -0.136 4.668 4.660 0.240 0.000 0.301 102 W C 1.641 178.178 176.519 0.031 0.000 1.205 102 W CA 1.255 58.615 57.345 0.025 0.000 1.285 102 W CB -0.129 29.338 29.460 0.013 0.000 1.133 102 W HN -0.046 8.134 8.180 -0.000 0.000 0.521 103 R N 0.201 120.812 120.500 0.185 0.000 2.115 103 R HA -0.180 4.303 4.340 0.238 0.000 0.230 103 R C 2.296 178.592 176.300 -0.007 0.000 1.111 103 R CA 1.456 57.601 56.100 0.076 0.000 0.976 103 R CB -0.877 29.509 30.300 0.144 0.000 0.870 103 R HN 0.179 8.449 8.270 -0.000 0.000 0.445 104 L N 0.752 121.985 121.223 0.017 0.000 2.012 104 L HA -0.170 4.312 4.340 0.238 0.000 0.210 104 L C 1.985 178.840 176.870 -0.024 0.000 1.073 104 L CA 1.718 56.564 54.840 0.011 0.000 0.748 104 L CB -0.391 41.687 42.059 0.030 0.000 0.891 104 L HN -0.106 8.124 8.230 -0.000 0.000 0.431 105 V N -0.535 119.336 119.914 -0.071 0.000 2.244 105 V HA -0.273 3.990 4.120 0.238 0.000 0.244 105 V C 2.539 178.529 176.094 -0.175 0.000 1.042 105 V CA 1.957 64.200 62.300 -0.096 0.000 1.006 105 V CB -0.663 31.087 31.823 -0.122 0.000 0.641 105 V HN 0.396 8.586 8.190 -0.000 0.000 0.446 106 L N 0.075 121.093 121.223 -0.340 0.000 2.083 106 L HA -0.153 4.329 4.340 0.238 0.000 0.209 106 L C 2.176 178.969 176.870 -0.127 0.000 1.083 106 L CA 1.779 56.429 54.840 -0.316 0.000 0.752 106 L CB -0.779 40.973 42.059 -0.512 0.000 0.899 106 L HN 0.325 8.555 8.230 -0.000 0.000 0.433 107 D N -1.391 118.968 120.400 -0.068 0.000 2.123 107 D HA -0.114 4.668 4.640 0.238 0.000 0.200 107 D C 2.145 178.472 176.300 0.045 0.000 0.976 107 D CA 1.556 55.565 54.000 0.016 0.000 0.831 107 D CB -0.141 40.684 40.800 0.041 0.000 0.974 107 D HN 0.269 8.639 8.370 -0.000 0.000 0.469 108 T N 1.294 115.863 114.554 0.025 0.000 2.732 108 T HA -0.070 4.422 4.350 0.238 0.000 0.261 108 T C 1.593 176.326 174.700 0.054 0.000 1.040 108 T CA 0.931 63.062 62.100 0.053 0.000 1.145 108 T CB -0.111 68.781 68.868 0.040 0.000 0.866 108 T HN 0.045 8.285 8.240 -0.000 0.000 0.427 109 N N 0.806 119.510 118.700 0.006 0.000 2.250 109 N HA 0.072 4.955 4.740 0.238 0.000 0.181 109 N C 1.518 177.021 175.510 -0.011 0.000 1.017 109 N CA 0.519 53.560 53.050 -0.014 0.000 0.866 109 N CB -0.259 38.176 38.487 -0.087 0.000 0.985 109 N HN 0.204 8.584 8.380 -0.000 0.000 0.429 110 L N -0.016 121.195 121.223 -0.020 0.000 2.453 110 L HA 0.220 4.703 4.340 0.238 0.000 0.190 110 L C 1.835 178.741 176.870 0.060 0.000 1.093 110 L CA 1.381 56.220 54.840 -0.002 0.000 0.834 110 L CB -0.999 41.034 42.059 -0.044 0.000 1.090 110 L HN -0.072 8.158 8.230 -0.000 0.000 0.489 111 T N -0.038 114.559 114.554 0.071 0.000 2.759 111 T HA -0.110 4.382 4.350 0.238 0.000 0.269 111 T C 1.663 176.477 174.700 0.190 0.000 1.042 111 T CA 1.312 63.504 62.100 0.153 0.000 1.140 111 T CB -0.870 68.078 68.868 0.132 0.000 0.864 111 T HN 0.572 8.812 8.240 -0.000 0.000 0.455 112 G N 1.066 109.967 108.800 0.167 0.000 2.442 112 G HA2 -0.105 3.998 3.960 0.238 0.000 0.219 112 G HA3 -0.105 3.998 3.960 0.238 0.000 0.219 112 G C 1.783 176.773 174.900 0.150 0.000 1.141 112 G CA 0.963 46.212 45.100 0.248 0.000 0.763 112 G HN 0.595 8.885 8.290 -0.000 0.000 0.554 113 A N 0.419 123.293 122.820 0.090 0.000 1.898 113 A HA 0.143 4.605 4.320 0.238 0.000 0.216 113 A C 2.133 179.662 177.584 -0.092 0.000 1.181 113 A CA 1.532 53.572 52.037 0.004 0.000 0.620 113 A CB -0.535 18.484 19.000 0.031 0.000 0.819 113 A HN 0.432 8.582 8.150 -0.000 0.000 0.442 114 F N 1.051 120.926 119.950 -0.126 0.000 2.046 114 F HA -0.194 4.474 4.527 0.236 0.000 0.297 114 F C 1.868 177.520 175.800 -0.246 0.000 1.123 114 F CA 1.886 59.797 58.000 -0.147 0.000 1.199 114 F CB -0.653 38.294 39.000 -0.087 0.000 0.972 114 F HN 0.138 8.438 8.300 -0.000 0.000 0.474 115 L N 0.223 121.082 121.223 -0.607 0.000 2.079 115 L HA -0.189 4.293 4.340 0.238 0.000 0.210 115 L C 2.788 178.948 176.870 -1.183 0.000 1.081 115 L CA 1.377 55.735 54.840 -0.803 0.000 0.752 115 L CB -1.687 40.152 42.059 -0.367 0.000 0.896 115 L HN 0.436 8.666 8.230 -0.000 0.000 0.433 116 G N 0.223 108.147 108.800 -1.460 0.000 2.418 116 G HA2 -0.200 3.902 3.960 0.238 0.000 0.217 116 G HA3 -0.200 3.902 3.960 0.238 0.000 0.217 116 G C 1.580 175.972 174.900 -0.848 0.000 1.158 116 G CA 0.601 44.572 45.100 -1.883 0.000 0.771 116 G HN 0.293 8.583 8.290 -0.000 0.000 0.545 117 I N 0.032 120.257 120.570 -0.575 0.000 2.252 117 I HA -0.081 4.231 4.170 0.238 0.000 0.245 117 I C 2.787 178.662 176.117 -0.402 0.000 1.102 117 I CA 1.021 62.105 61.300 -0.360 0.000 1.385 117 I CB -0.213 37.652 38.000 -0.224 0.000 1.064 117 I HN 0.111 8.321 8.210 -0.000 0.000 0.414 118 R N 0.279 120.408 120.500 -0.618 0.000 2.091 118 R HA -0.196 4.286 4.340 0.238 0.000 0.238 118 R C 2.241 178.190 176.300 -0.586 0.000 1.136 118 R CA 1.645 57.356 56.100 -0.647 0.000 0.959 118 R CB -0.204 29.513 30.300 -0.972 0.000 0.856 118 R HN 0.445 8.715 8.270 -0.000 0.000 0.437 119 H N -1.230 117.617 119.070 -0.372 0.000 2.562 119 H HA 0.166 4.864 4.556 0.237 0.000 0.267 119 H C 1.604 176.871 175.328 -0.101 0.000 0.959 119 H CA 0.908 56.846 56.048 -0.183 0.000 1.204 119 H CB 0.579 30.285 29.762 -0.092 0.000 1.430 119 H HN 0.392 8.672 8.280 -0.000 0.000 0.545 120 A N 0.603 123.380 122.820 -0.073 0.000 1.943 120 A HA 0.009 4.472 4.320 0.238 0.000 0.213 120 A C 2.605 180.167 177.584 -0.036 0.000 1.181 120 A CA 0.453 52.482 52.037 -0.013 0.000 0.653 120 A CB -0.530 18.456 19.000 -0.024 0.000 0.833 120 A HN 0.118 8.268 8.150 -0.000 0.000 0.451 121 V N 0.963 120.823 119.914 -0.089 0.000 2.250 121 V HA -0.217 4.046 4.120 0.238 0.000 0.250 121 V C -0.116 175.952 176.094 -0.044 0.000 1.060 121 V CA 2.834 65.092 62.300 -0.070 0.000 1.030 121 V CB -1.558 30.209 31.823 -0.094 0.000 0.643 121 V HN 0.368 8.558 8.190 -0.000 0.000 0.445 122 P HA -0.190 4.230 4.420 -0.000 0.000 0.216 122 P C 1.590 178.889 177.300 -0.001 0.000 1.150 122 P CA 2.119 65.203 63.100 -0.027 0.000 0.843 122 P CB -0.166 31.515 31.700 -0.032 0.000 0.787 123 A N -1.194 121.634 122.820 0.013 0.000 2.015 123 A HA -0.100 4.363 4.320 0.238 0.000 0.219 123 A C 2.136 179.735 177.584 0.026 0.000 1.163 123 A CA 1.162 53.218 52.037 0.032 0.000 0.646 123 A CB -1.407 17.626 19.000 0.056 0.000 0.806 123 A HN 0.131 8.281 8.150 -0.000 0.000 0.448 124 L N -0.829 120.402 121.223 0.013 0.000 2.131 124 L HA -0.021 4.461 4.340 0.238 0.000 0.206 124 L C 2.248 179.121 176.870 0.004 0.000 1.087 124 L CA 0.576 55.422 54.840 0.009 0.000 0.767 124 L CB -0.420 41.639 42.059 -0.002 0.000 0.917 124 L HN 0.341 8.571 8.230 -0.000 0.000 0.441 125 L N -0.363 120.859 121.223 -0.003 0.000 2.275 125 L HA -0.145 4.338 4.340 0.238 0.000 0.215 125 L C 2.747 179.618 176.870 0.002 0.000 1.119 125 L CA 0.735 55.573 54.840 -0.004 0.000 0.790 125 L CB -0.541 41.512 42.059 -0.011 0.000 0.919 125 L HN 0.293 8.523 8.230 -0.000 0.000 0.443 126 R N 1.727 122.231 120.500 0.008 0.000 2.092 126 R HA -0.147 4.335 4.340 0.238 0.000 0.231 126 R C 2.223 178.531 176.300 0.013 0.000 1.119 126 R CA 1.475 57.582 56.100 0.012 0.000 0.970 126 R CB -0.007 30.303 30.300 0.018 0.000 0.864 126 R HN 0.435 8.705 8.270 -0.000 0.000 0.440 127 R N -1.213 119.296 120.500 0.016 0.000 2.317 127 R HA 0.173 4.655 4.340 0.238 0.000 0.208 127 R C 0.733 177.040 176.300 0.011 0.000 0.914 127 R CA 0.681 56.790 56.100 0.016 0.000 1.060 127 R CB 0.425 30.739 30.300 0.023 0.000 1.015 127 R HN 0.303 8.573 8.270 -0.000 0.000 0.498 128 G N -0.345 108.460 108.800 0.008 0.000 2.141 128 G HA2 -0.054 4.048 3.960 0.238 0.000 0.231 128 G HA3 -0.054 4.048 3.960 0.238 0.000 0.231 128 G C 0.318 175.220 174.900 0.003 0.000 0.984 128 G CA -0.239 44.864 45.100 0.005 0.000 0.660 128 G HN 0.976 9.266 8.290 -0.000 0.000 0.525 129 G N -2.353 106.448 108.800 0.003 0.000 2.361 129 G HA2 0.674 4.777 3.960 0.238 0.000 0.331 129 G HA3 0.674 4.777 3.960 0.238 0.000 0.331 129 G C 0.247 175.148 174.900 0.002 0.000 1.324 129 G CA 1.068 46.167 45.100 -0.001 0.000 0.984 129 G HN 2.403 10.693 8.290 -0.000 0.000 0.586 130 G N -2.151 106.646 108.800 -0.005 0.000 2.325 130 G HA2 0.778 4.880 3.960 0.238 0.000 0.295 130 G HA3 0.778 4.880 3.960 0.238 0.000 0.295 130 G C -1.048 173.842 174.900 -0.017 0.000 1.274 130 G CA 0.751 45.849 45.100 -0.003 0.000 0.857 130 G HN 1.516 9.806 8.290 -0.000 0.000 0.499 131 T N 0.360 114.903 114.554 -0.019 0.000 2.893 131 T HA 0.667 5.159 4.350 0.238 0.000 0.293 131 T C -0.652 174.029 174.700 -0.033 0.000 1.027 131 T CA -0.251 61.828 62.100 -0.036 0.000 0.988 131 T CB 1.650 70.486 68.868 -0.053 0.000 1.043 131 T HN 0.512 8.752 8.240 -0.000 0.000 0.461 132 I N 2.593 123.139 120.570 -0.039 0.000 2.411 132 I HA 0.398 4.711 4.170 0.238 0.000 0.284 132 I C -0.702 175.393 176.117 -0.036 0.000 1.012 132 I CA -0.978 60.301 61.300 -0.034 0.000 1.119 132 I CB 1.699 39.675 38.000 -0.041 0.000 1.261 132 I HN 0.279 8.489 8.210 -0.000 0.000 0.448 133 V N 5.912 125.807 119.914 -0.031 0.000 2.394 133 V HA 0.313 4.576 4.120 0.238 0.000 0.282 133 V C -0.151 175.934 176.094 -0.014 0.000 1.031 133 V CA -0.611 61.670 62.300 -0.032 0.000 0.881 133 V CB 1.441 33.238 31.823 -0.043 0.000 0.982 133 V HN 0.688 8.878 8.190 -0.000 0.000 0.451 134 N N 3.019 121.710 118.700 -0.014 0.000 2.408 134 N HA 0.506 5.388 4.740 0.238 0.000 0.280 134 N C -0.855 174.652 175.510 -0.005 0.000 1.002 134 N CA -0.578 52.469 53.050 -0.005 0.000 0.907 134 N CB 2.203 40.683 38.487 -0.011 0.000 1.161 134 N HN 0.438 8.818 8.380 -0.000 0.000 0.488 135 V N 1.938 121.854 119.914 0.004 0.000 2.408 135 V HA 0.422 4.685 4.120 0.238 0.000 0.267 135 V C 1.070 177.165 176.094 0.001 0.000 1.047 135 V CA -0.331 61.972 62.300 0.006 0.000 0.937 135 V CB 0.595 32.426 31.823 0.015 0.000 0.999 135 V HN 0.794 8.984 8.190 -0.000 0.000 0.472 136 G N 3.532 112.329 108.800 -0.006 0.000 2.535 136 G HA2 0.589 4.691 3.960 0.238 0.000 0.303 136 G HA3 0.589 4.691 3.960 0.238 0.000 0.303 136 G C -0.318 174.580 174.900 -0.003 0.000 1.237 136 G CA -0.190 44.900 45.100 -0.017 0.000 0.986 136 G HN 0.783 9.073 8.290 -0.000 0.000 0.494 137 S N -1.632 114.062 115.700 -0.010 0.000 2.595 137 S HA 0.368 4.980 4.470 0.238 0.000 0.281 137 S C 1.040 175.657 174.600 0.029 0.000 1.117 137 S CA -0.790 57.428 58.200 0.031 0.000 0.873 137 S CB 1.472 64.704 63.200 0.054 0.000 1.108 137 S HN 0.386 8.696 8.310 -0.000 0.000 0.477 138 L N 2.220 123.485 121.223 0.070 0.000 2.201 138 L HA 0.080 4.563 4.340 0.238 0.000 0.212 138 L C 2.648 179.594 176.870 0.126 0.000 1.105 138 L CA 1.327 56.208 54.840 0.069 0.000 0.775 138 L CB -0.576 41.526 42.059 0.073 0.000 0.913 138 L HN 0.875 9.105 8.230 -0.000 0.000 0.440 139 A N 0.026 122.979 122.820 0.221 0.000 2.248 139 A HA -0.018 4.445 4.320 0.238 0.000 0.210 139 A C 2.143 179.870 177.584 0.237 0.000 1.174 139 A CA 1.162 53.422 52.037 0.371 0.000 0.750 139 A CB -0.780 18.554 19.000 0.556 0.000 0.780 139 A HN 0.437 8.587 8.150 -0.000 0.000 0.478 140 G N -1.037 107.755 108.800 -0.012 0.000 2.880 140 G HA2 0.088 4.190 3.960 0.238 0.000 0.209 140 G HA3 0.088 4.190 3.960 0.238 0.000 0.209 140 G C 1.275 175.612 174.900 -0.939 0.000 1.157 140 G CA 0.609 45.526 45.100 -0.304 0.000 0.779 140 G HN 0.548 8.838 8.290 -0.000 0.000 0.539 141 K N -0.714 119.378 120.400 -0.513 0.000 2.567 141 K HA 0.133 4.596 4.320 0.238 0.000 0.218 141 K C -0.471 176.146 176.600 0.028 0.000 1.440 141 K CA -0.228 55.767 56.287 -0.487 0.000 0.995 141 K CB 0.833 33.189 32.500 -0.241 0.000 1.186 141 K HN -0.010 8.240 8.250 -0.000 0.000 0.593 142 N N 2.716 121.540 118.700 0.206 0.000 2.564 142 N HA 0.282 5.164 4.740 0.238 0.000 0.248 142 N C -2.901 172.855 175.510 0.409 0.000 0.986 142 N CA -1.358 51.868 53.050 0.293 0.000 0.921 142 N CB 1.568 40.180 38.487 0.208 0.000 1.136 142 N HN -0.105 8.275 8.380 -0.000 0.000 0.509 143 P HA 0.213 4.633 4.420 -0.000 0.000 0.269 143 P C -0.789 176.649 177.300 0.229 0.000 1.215 143 P CA 0.050 63.240 63.100 0.151 0.000 0.780 143 P CB 0.365 32.087 31.700 0.036 0.000 0.898 144 F N -1.763 118.243 119.950 0.092 0.000 2.678 144 F HA 0.475 5.144 4.527 0.236 0.000 0.308 144 F C -0.940 174.897 175.800 0.062 0.000 1.118 144 F CA -1.556 56.489 58.000 0.075 0.000 0.959 144 F CB 0.845 39.894 39.000 0.081 0.000 1.305 144 F HN -0.103 8.197 8.300 -0.000 0.000 0.443 145 K N 1.774 122.353 120.400 0.299 0.000 2.491 145 K HA 0.328 4.791 4.320 0.238 0.000 0.279 145 K C 1.033 177.773 176.600 0.235 0.000 1.026 145 K CA 1.421 57.821 56.287 0.189 0.000 1.070 145 K CB 0.029 32.629 32.500 0.166 0.000 0.887 145 K HN 1.300 9.550 8.250 -0.000 0.000 0.481 146 G N 2.325 111.174 108.800 0.081 0.000 2.176 146 G HA2 -0.268 3.834 3.960 0.238 0.000 0.253 146 G HA3 -0.268 3.834 3.960 0.238 0.000 0.253 146 G C 0.786 175.684 174.900 -0.003 0.000 0.979 146 G CA 0.280 45.433 45.100 0.088 0.000 0.641 146 G HN 0.731 9.021 8.290 -0.000 0.000 0.530 147 G N 0.130 108.698 108.800 -0.387 0.000 3.314 147 G HA2 0.569 4.672 3.960 0.238 0.000 0.238 147 G HA3 0.569 4.672 3.960 0.238 0.000 0.238 147 G C 1.607 176.329 174.900 -0.297 0.000 1.184 147 G CA 1.694 46.376 45.100 -0.696 0.000 0.806 147 G HN 1.406 9.696 8.290 -0.000 0.000 0.536 148 A N 1.514 124.270 122.820 -0.107 0.000 1.882 148 A HA -0.057 4.406 4.320 0.238 0.000 0.220 148 A C 2.770 180.434 177.584 0.134 0.000 1.253 148 A CA 2.764 54.831 52.037 0.048 0.000 0.664 148 A CB -0.956 18.139 19.000 0.159 0.000 0.838 148 A HN 0.905 9.055 8.150 -0.000 0.000 0.460 149 A N -2.859 120.047 122.820 0.144 0.000 1.929 149 A HA 0.043 4.505 4.320 0.238 0.000 0.216 149 A C 2.158 179.643 177.584 -0.165 0.000 1.176 149 A CA 1.604 53.528 52.037 -0.188 0.000 0.628 149 A CB -0.682 18.213 19.000 -0.176 0.000 0.816 149 A HN 0.682 8.832 8.150 -0.000 0.000 0.444 150 Y N 1.090 121.315 120.300 -0.126 0.000 2.133 150 Y HA -0.203 4.489 4.550 0.237 0.000 0.287 150 Y C 2.194 178.081 175.900 -0.022 0.000 1.134 150 Y CA 2.056 60.129 58.100 -0.046 0.000 1.133 150 Y CB -0.604 37.908 38.460 0.087 0.000 0.987 150 Y HN 0.455 8.735 8.280 -0.000 0.000 0.502 151 N N -0.411 118.280 118.700 -0.014 0.000 2.084 151 N HA -0.217 4.665 4.740 0.238 0.000 0.190 151 N C 1.988 177.497 175.510 -0.003 0.000 1.030 151 N CA 1.119 54.176 53.050 0.013 0.000 0.849 151 N CB -0.369 38.004 38.487 -0.191 0.000 1.012 151 N HN 0.424 8.804 8.380 -0.000 0.000 0.423 152 A N 0.797 123.543 122.820 -0.124 0.000 1.908 152 A HA -0.220 4.243 4.320 0.238 0.000 0.218 152 A C 2.304 179.840 177.584 -0.080 0.000 1.181 152 A CA 2.168 54.147 52.037 -0.096 0.000 0.627 152 A CB -0.924 18.045 19.000 -0.052 0.000 0.818 152 A HN 0.453 8.603 8.150 -0.000 0.000 0.445 153 S N -0.932 114.656 115.700 -0.187 0.000 2.406 153 S HA -0.090 4.522 4.470 0.238 0.000 0.228 153 S C 1.799 176.328 174.600 -0.119 0.000 1.020 153 S CA 1.261 59.352 58.200 -0.182 0.000 0.965 153 S CB -0.154 62.892 63.200 -0.256 0.000 0.798 153 S HN 0.405 8.715 8.310 -0.000 0.000 0.488 154 K N 0.465 120.792 120.400 -0.122 0.000 2.167 154 K HA 0.229 4.692 4.320 0.238 0.000 0.203 154 K C 1.545 178.169 176.600 0.040 0.000 1.052 154 K CA 0.582 56.820 56.287 -0.083 0.000 0.956 154 K CB -0.690 31.730 32.500 -0.134 0.000 0.735 154 K HN 0.451 8.701 8.250 -0.000 0.000 0.451 155 F N 0.982 120.880 119.950 -0.087 0.000 2.128 155 F HA -0.019 4.654 4.527 0.244 0.000 0.295 155 F C 2.470 178.243 175.800 -0.044 0.000 1.100 155 F CA 1.502 59.474 58.000 -0.046 0.000 1.260 155 F CB -1.049 37.934 39.000 -0.029 0.000 1.009 155 F HN 0.119 8.419 8.300 -0.000 0.000 0.476 156 G N -0.043 108.850 108.800 0.155 0.000 2.442 156 G HA2 -0.281 3.821 3.960 0.238 0.000 0.219 156 G HA3 -0.281 3.821 3.960 0.238 0.000 0.219 156 G C 1.703 176.616 174.900 0.021 0.000 1.141 156 G CA 0.978 46.117 45.100 0.065 0.000 0.763 156 G HN 0.320 8.610 8.290 -0.000 0.000 0.554 157 L N 0.501 121.724 121.223 0.000 0.000 2.081 157 L HA -0.018 4.465 4.340 0.238 0.000 0.212 157 L C 2.652 179.511 176.870 -0.018 0.000 1.080 157 L CA 1.470 56.301 54.840 -0.015 0.000 0.754 157 L CB -0.325 41.713 42.059 -0.035 0.000 0.893 157 L HN 0.259 8.489 8.230 -0.000 0.000 0.433 158 L N -1.329 119.876 121.223 -0.030 0.000 2.156 158 L HA -0.027 4.455 4.340 0.238 0.000 0.208 158 L C 2.520 179.378 176.870 -0.020 0.000 1.095 158 L CA 0.916 55.732 54.840 -0.040 0.000 0.770 158 L CB -1.397 40.614 42.059 -0.080 0.000 0.914 158 L HN 0.414 8.644 8.230 -0.000 0.000 0.439 159 G N 0.633 109.432 108.800 -0.002 0.000 2.404 159 G HA2 -0.257 3.845 3.960 0.238 0.000 0.215 159 G HA3 -0.257 3.845 3.960 0.238 0.000 0.215 159 G C 1.580 176.479 174.900 -0.002 0.000 1.174 159 G CA 0.741 45.843 45.100 0.004 0.000 0.780 159 G HN 0.223 8.513 8.290 -0.000 0.000 0.537 160 L N 1.503 122.726 121.223 -0.000 0.000 1.994 160 L HA 0.132 4.615 4.340 0.238 0.000 0.208 160 L C 3.000 179.873 176.870 0.005 0.000 1.071 160 L CA 2.429 57.272 54.840 0.005 0.000 0.745 160 L CB -0.867 41.203 42.059 0.019 0.000 0.892 160 L HN 0.220 8.450 8.230 -0.000 0.000 0.431 161 A N -0.384 122.434 122.820 -0.003 0.000 1.902 161 A HA -0.055 4.408 4.320 0.238 0.000 0.217 161 A C 2.334 179.911 177.584 -0.012 0.000 1.181 161 A CA 1.622 53.653 52.037 -0.010 0.000 0.623 161 A CB -1.663 17.327 19.000 -0.018 0.000 0.818 161 A HN 0.574 8.724 8.150 -0.000 0.000 0.443 162 G N -0.491 108.301 108.800 -0.013 0.000 2.433 162 G HA2 -0.011 4.092 3.960 0.238 0.000 0.216 162 G HA3 -0.011 4.092 3.960 0.238 0.000 0.216 162 G C 1.780 176.675 174.900 -0.010 0.000 1.186 162 G CA 1.539 46.631 45.100 -0.013 0.000 0.779 162 G HN 0.831 9.121 8.290 -0.000 0.000 0.543 163 A N 1.042 123.858 122.820 -0.006 0.000 1.933 163 A HA 0.289 4.752 4.320 0.238 0.000 0.218 163 A C 2.798 180.380 177.584 -0.003 0.000 1.175 163 A CA 2.178 54.212 52.037 -0.005 0.000 0.628 163 A CB -0.717 18.280 19.000 -0.005 0.000 0.814 163 A HN 0.801 8.951 8.150 -0.000 0.000 0.444 164 A N 0.764 123.584 122.820 -0.001 0.000 1.902 164 A HA -0.173 4.289 4.320 0.238 0.000 0.217 164 A C 2.301 179.878 177.584 -0.011 0.000 1.181 164 A CA 2.095 54.130 52.037 -0.002 0.000 0.623 164 A CB -0.752 18.247 19.000 -0.002 0.000 0.818 164 A HN 0.810 8.960 8.150 -0.000 0.000 0.443 165 M N -1.229 118.363 119.600 -0.015 0.000 2.296 165 M HA 0.043 4.665 4.480 0.238 0.000 0.265 165 M C 1.673 177.964 176.300 -0.015 0.000 1.064 165 M CA 1.598 56.887 55.300 -0.018 0.000 1.109 165 M CB -0.577 32.011 32.600 -0.021 0.000 1.396 165 M HN 0.229 8.519 8.290 -0.000 0.000 0.430 166 L N 0.363 121.579 121.223 -0.012 0.000 2.240 166 L HA -0.068 4.415 4.340 0.238 0.000 0.211 166 L C 1.706 178.571 176.870 -0.009 0.000 1.106 166 L CA 0.585 55.419 54.840 -0.010 0.000 0.793 166 L CB -0.640 41.414 42.059 -0.008 0.000 0.927 166 L HN 0.305 8.535 8.230 -0.000 0.000 0.446 167 D N 0.096 120.491 120.400 -0.008 0.000 2.194 167 D HA -0.028 4.755 4.640 0.238 0.000 0.204 167 D C 2.173 178.466 176.300 -0.011 0.000 0.964 167 D CA 1.087 55.082 54.000 -0.008 0.000 0.846 167 D CB 0.269 41.067 40.800 -0.004 0.000 0.962 167 D HN 0.297 8.667 8.370 -0.000 0.000 0.490 168 L N 0.509 121.723 121.223 -0.015 0.000 2.590 168 L HA 0.180 4.663 4.340 0.238 0.000 0.227 168 L C 2.285 179.145 176.870 -0.017 0.000 1.099 168 L CA -0.066 54.763 54.840 -0.018 0.000 0.872 168 L CB 0.061 42.105 42.059 -0.025 0.000 1.088 168 L HN -0.067 8.163 8.230 -0.000 0.000 0.479 169 R N 0.623 121.114 120.500 -0.016 0.000 2.127 169 R HA -0.169 4.314 4.340 0.238 0.000 0.238 169 R C 1.461 177.754 176.300 -0.011 0.000 1.134 169 R CA 1.486 57.577 56.100 -0.015 0.000 0.975 169 R CB -0.431 29.861 30.300 -0.015 0.000 0.865 169 R HN 0.373 8.643 8.270 -0.000 0.000 0.447 170 E N 0.558 120.753 120.200 -0.009 0.000 2.274 170 E HA -0.020 4.472 4.350 0.238 0.000 0.194 170 E C 1.315 177.911 176.600 -0.006 0.000 0.996 170 E CA 0.770 57.167 56.400 -0.006 0.000 0.840 170 E CB 0.187 29.884 29.700 -0.005 0.000 0.772 170 E HN 0.565 8.925 8.360 -0.000 0.000 0.491 171 A N 1.265 124.079 122.820 -0.009 0.000 2.337 171 A HA 0.035 4.497 4.320 0.238 0.000 0.227 171 A C 0.694 178.273 177.584 -0.009 0.000 1.259 171 A CA 0.132 52.164 52.037 -0.009 0.000 0.870 171 A CB -0.180 18.812 19.000 -0.013 0.000 0.927 171 A HN 0.289 8.439 8.150 -0.000 0.000 0.497 172 N N -1.561 117.134 118.700 -0.009 0.000 2.776 172 N HA -0.148 4.735 4.740 0.238 0.000 0.250 172 N C -0.901 174.600 175.510 -0.014 0.000 1.112 172 N CA 1.006 54.050 53.050 -0.009 0.000 0.733 172 N CB -1.790 36.695 38.487 -0.004 0.000 1.097 172 N HN 0.191 8.571 8.380 -0.000 0.000 0.558 173 V N 1.659 121.562 119.914 -0.018 0.000 2.328 173 V HA 0.405 4.667 4.120 0.238 0.000 0.278 173 V C 0.531 176.607 176.094 -0.030 0.000 1.021 173 V CA -0.561 61.725 62.300 -0.024 0.000 0.838 173 V CB 1.235 33.042 31.823 -0.026 0.000 0.999 173 V HN 0.159 8.349 8.190 -0.000 0.000 0.447 174 R N 3.605 124.084 120.500 -0.036 0.000 2.234 174 R HA 0.520 5.002 4.340 0.238 0.000 0.324 174 R C -0.700 175.572 176.300 -0.047 0.000 1.054 174 R CA -0.291 55.782 56.100 -0.045 0.000 0.912 174 R CB 1.256 31.519 30.300 -0.060 0.000 1.030 174 R HN 0.490 8.760 8.270 -0.000 0.000 0.455 175 V N 4.850 124.738 119.914 -0.042 0.000 2.318 175 V HA 0.248 4.510 4.120 0.238 0.000 0.271 175 V C -0.441 175.629 176.094 -0.041 0.000 1.030 175 V CA -0.570 61.707 62.300 -0.039 0.000 0.844 175 V CB 1.369 33.173 31.823 -0.032 0.000 1.015 175 V HN 0.506 8.696 8.190 -0.000 0.000 0.460 176 V N 6.312 126.199 119.914 -0.046 0.000 2.555 176 V HA 0.628 4.891 4.120 0.238 0.000 0.302 176 V C -0.461 175.613 176.094 -0.033 0.000 1.038 176 V CA -0.586 61.687 62.300 -0.044 0.000 0.887 176 V CB 2.198 33.981 31.823 -0.067 0.000 0.991 176 V HN 0.853 9.043 8.190 -0.000 0.000 0.434 177 N N 4.419 123.105 118.700 -0.024 0.000 2.430 177 N HA 0.545 5.427 4.740 0.238 0.000 0.292 177 N C -0.979 174.526 175.510 -0.009 0.000 1.051 177 N CA -0.221 52.818 53.050 -0.019 0.000 0.917 177 N CB 2.010 40.484 38.487 -0.022 0.000 1.164 177 N HN 0.482 8.862 8.380 -0.000 0.000 0.484 178 V N 3.609 123.520 119.914 -0.005 0.000 2.350 178 V HA 0.514 4.776 4.120 0.238 0.000 0.285 178 V C -0.623 175.472 176.094 0.001 0.000 1.014 178 V CA -0.730 61.573 62.300 0.006 0.000 0.831 178 V CB 0.748 32.577 31.823 0.010 0.000 1.000 178 V HN 0.455 8.645 8.190 -0.000 0.000 0.433 179 L N 4.199 125.422 121.223 0.000 0.000 2.415 179 L HA 0.851 5.333 4.340 0.238 0.000 0.256 179 L C -2.979 173.890 176.870 -0.001 0.000 1.010 179 L CA -2.296 52.542 54.840 -0.004 0.000 0.826 179 L CB 1.183 43.230 42.059 -0.019 0.000 1.405 179 L HN 0.206 8.436 8.230 -0.000 0.000 0.410 180 P HA 0.242 4.662 4.420 -0.000 0.000 0.271 180 P C 0.267 177.567 177.300 -0.001 0.000 1.233 180 P CA 0.093 63.195 63.100 0.004 0.000 0.789 180 P CB 0.490 32.196 31.700 0.011 0.000 0.951 181 G N -0.004 108.796 108.800 0.001 0.000 2.522 181 G HA2 0.084 4.187 3.960 0.238 0.000 0.223 181 G HA3 0.084 4.187 3.960 0.238 0.000 0.223 181 G C 1.060 175.960 174.900 -0.001 0.000 1.565 181 G CA 0.732 45.831 45.100 -0.001 0.000 1.053 181 G HN 0.534 8.824 8.290 -0.000 0.000 0.547 182 S N -2.282 113.420 115.700 0.002 0.000 2.620 182 S HA 0.345 4.957 4.470 0.238 0.000 0.234 182 S C 0.731 175.339 174.600 0.013 0.000 1.064 182 S CA 0.477 58.681 58.200 0.007 0.000 0.920 182 S CB 0.016 63.220 63.200 0.006 0.000 0.826 182 S HN 0.371 8.681 8.310 -0.000 0.000 0.557 198 L N 4.038 125.261 121.223 -0.001 0.000 2.261 198 L HA 0.377 4.859 4.340 0.238 0.000 0.289 198 L C -0.358 176.513 176.870 0.003 0.000 1.059 198 L CA 0.170 55.011 54.840 0.002 0.000 0.816 198 L CB 0.566 42.628 42.059 0.005 0.000 1.191 198 L HN 0.437 8.667 8.230 -0.000 0.000 0.431 199 K N 6.026 126.428 120.400 0.002 0.000 2.258 199 K HA 0.191 4.654 4.320 0.238 0.000 0.264 199 K C -1.678 174.925 176.600 0.005 0.000 1.007 199 K CA -1.304 54.984 56.287 0.003 0.000 0.941 199 K CB 0.469 32.970 32.500 0.002 0.000 0.966 199 K HN 0.378 8.628 8.250 -0.000 0.000 0.480 200 P HA -0.151 4.269 4.420 -0.000 0.000 0.218 200 P C 0.279 177.583 177.300 0.007 0.000 1.148 200 P CA 1.228 64.332 63.100 0.007 0.000 0.822 200 P CB 0.300 32.003 31.700 0.005 0.000 0.784 201 E N -0.697 119.506 120.200 0.006 0.000 2.204 201 E HA -0.145 4.348 4.350 0.238 0.000 0.194 201 E C 1.613 178.218 176.600 0.009 0.000 0.989 201 E CA 0.968 57.373 56.400 0.008 0.000 0.824 201 E CB -0.802 28.902 29.700 0.008 0.000 0.756 201 E HN 0.316 8.676 8.360 -0.000 0.000 0.477 202 D N -0.259 120.145 120.400 0.008 0.000 2.144 202 D HA -0.089 4.694 4.640 0.238 0.000 0.200 202 D C 1.903 178.210 176.300 0.012 0.000 0.978 202 D CA 0.820 54.825 54.000 0.008 0.000 0.833 202 D CB -0.002 40.801 40.800 0.006 0.000 0.961 202 D HN 0.078 8.448 8.370 -0.000 0.000 0.470 203 V N 1.684 121.605 119.914 0.011 0.000 2.427 203 V HA -0.167 4.096 4.120 0.238 0.000 0.248 203 V C 2.614 178.715 176.094 0.012 0.000 1.051 203 V CA 1.536 63.844 62.300 0.013 0.000 1.048 203 V CB -0.785 31.045 31.823 0.012 0.000 0.666 203 V HN 0.141 8.331 8.190 -0.000 0.000 0.456 204 A N -0.388 122.437 122.820 0.007 0.000 1.940 204 A HA -0.316 4.147 4.320 0.238 0.000 0.219 204 A C 2.181 179.769 177.584 0.006 0.000 1.176 204 A CA 2.247 54.284 52.037 -0.000 0.000 0.631 204 A CB -0.508 18.492 19.000 0.001 0.000 0.814 204 A HN 0.528 8.678 8.150 -0.000 0.000 0.446 205 Q N -0.315 119.496 119.800 0.019 0.000 2.079 205 Q HA -0.002 4.481 4.340 0.238 0.000 0.200 205 Q C 2.135 178.173 176.000 0.064 0.000 0.974 205 Q CA 2.062 57.886 55.803 0.035 0.000 0.840 205 Q CB -0.596 28.158 28.738 0.027 0.000 0.898 205 Q HN 0.569 8.839 8.270 -0.000 0.000 0.430 206 A N -0.698 122.158 122.820 0.060 0.000 1.902 206 A HA -0.128 4.334 4.320 0.238 0.000 0.217 206 A C 2.258 179.895 177.584 0.089 0.000 1.181 206 A CA 1.615 53.713 52.037 0.101 0.000 0.623 206 A CB -0.869 18.172 19.000 0.069 0.000 0.818 206 A HN 0.263 8.413 8.150 -0.000 0.000 0.443 207 V N -0.062 119.867 119.914 0.025 0.000 2.392 207 V HA -0.252 4.011 4.120 0.238 0.000 0.249 207 V C 2.497 178.557 176.094 -0.057 0.000 1.059 207 V CA 1.961 64.246 62.300 -0.025 0.000 1.051 207 V CB -0.880 30.917 31.823 -0.044 0.000 0.658 207 V HN 0.615 8.805 8.190 -0.000 0.000 0.455 208 L N -0.069 121.137 121.223 -0.028 0.000 2.012 208 L HA -0.182 4.300 4.340 0.238 0.000 0.210 208 L C 2.198 179.089 176.870 0.035 0.000 1.073 208 L CA 2.241 57.057 54.840 -0.039 0.000 0.748 208 L CB -0.955 41.118 42.059 0.024 0.000 0.891 208 L HN 0.356 8.586 8.230 -0.000 0.000 0.431 209 F N 0.847 120.783 119.950 -0.023 0.000 2.075 209 F HA -0.156 4.361 4.527 -0.017 0.000 0.297 209 F C 2.361 178.155 175.800 -0.010 0.000 1.113 209 F CA 1.638 59.635 58.000 -0.005 0.000 1.218 209 F CB -1.139 37.858 39.000 -0.006 0.000 0.984 209 F HN 0.167 8.467 8.300 -0.000 0.000 0.472 210 A N 0.903 123.495 122.820 -0.380 0.000 1.971 210 A HA -0.219 4.243 4.320 0.238 0.000 0.222 210 A C 2.385 179.750 177.584 -0.365 0.000 1.182 210 A CA 2.249 54.010 52.037 -0.459 0.000 0.649 210 A CB -1.290 17.596 19.000 -0.190 0.000 0.818 210 A HN 0.571 8.721 8.150 -0.000 0.000 0.458 211 L N -0.648 120.432 121.223 -0.237 0.000 2.068 211 L HA -0.037 4.446 4.340 0.238 0.000 0.204 211 L C 1.030 177.858 176.870 -0.069 0.000 1.076 211 L CA 0.943 55.697 54.840 -0.143 0.000 0.753 211 L CB -0.423 41.529 42.059 -0.178 0.000 0.910 211 L HN 0.626 8.856 8.230 -0.000 0.000 0.439 212 E N 1.805 121.986 120.200 -0.032 0.000 2.035 212 E HA 0.480 4.972 4.350 0.238 0.000 0.271 212 E C -0.589 176.001 176.600 -0.017 0.000 0.953 212 E CA -0.311 56.117 56.400 0.046 0.000 0.777 212 E CB 0.720 30.521 29.700 0.168 0.000 1.104 212 E HN 0.276 8.636 8.360 -0.000 0.000 0.408 213 M N 0.669 120.237 119.600 -0.054 0.000 2.449 213 M HA 0.448 5.071 4.480 0.238 0.000 0.291 213 M C -2.961 173.350 176.300 0.018 0.000 1.148 213 M CA -1.943 53.345 55.300 -0.020 0.000 0.925 213 M CB 1.577 34.017 32.600 -0.265 0.000 1.767 213 M HN 0.079 8.369 8.290 -0.000 0.000 0.503 214 P HA 0.204 4.624 4.420 -0.000 0.000 0.269 214 P C -0.165 177.241 177.300 0.176 0.000 1.211 214 P CA 0.066 63.273 63.100 0.178 0.000 0.781 214 P CB 0.294 32.183 31.700 0.316 0.000 0.877 215 G N 1.695 110.633 108.800 0.230 0.000 2.377 215 G HA2 0.550 4.652 3.960 0.238 0.000 0.316 215 G HA3 0.550 4.652 3.960 0.238 0.000 0.316 215 G C -0.484 174.606 174.900 0.318 0.000 1.115 215 G CA -0.233 44.968 45.100 0.168 0.000 0.952 215 G HN 0.937 9.227 8.290 -0.000 0.000 0.441 216 H N 0.418 119.489 119.070 0.001 0.000 4.434 216 H HA 0.304 5.011 4.556 0.250 0.000 0.611 216 H C 0.140 175.473 175.328 0.008 0.000 1.913 216 H CA -0.722 55.329 56.048 0.005 0.000 1.631 216 H CB -0.391 29.377 29.762 0.010 0.000 3.216 216 H HN 1.654 9.934 8.280 -0.000 0.000 0.429 217 A N 3.043 125.841 122.820 -0.036 0.000 2.640 217 A HA -0.248 4.214 4.320 0.238 0.000 0.300 217 A C 0.843 178.346 177.584 -0.136 0.000 1.499 217 A CA 1.067 53.067 52.037 -0.061 0.000 0.759 217 A CB -1.514 17.476 19.000 -0.017 0.000 1.048 217 A HN 0.651 8.801 8.150 -0.000 0.000 0.450 218 M N -1.017 118.485 119.600 -0.162 0.000 1.896 218 M HA 0.088 4.711 4.480 0.238 0.000 0.195 218 M C 1.062 177.304 176.300 -0.097 0.000 1.281 218 M CA 0.470 55.669 55.300 -0.169 0.000 0.880 218 M CB -0.338 32.168 32.600 -0.156 0.000 1.181 218 M HN 0.428 8.718 8.290 -0.000 0.000 0.349 219 V N 1.209 121.074 119.914 -0.082 0.000 2.686 219 V HA 0.105 4.367 4.120 0.238 0.000 0.295 219 V C 1.090 177.157 176.094 -0.044 0.000 1.055 219 V CA 0.266 62.548 62.300 -0.031 0.000 1.050 219 V CB 0.948 32.787 31.823 0.026 0.000 0.984 219 V HN 1.029 9.219 8.190 -0.000 0.000 0.482 220 S N 1.697 117.383 115.700 -0.024 0.000 2.512 220 S HA 0.286 4.899 4.470 0.238 0.000 0.216 220 S C 0.259 174.848 174.600 -0.018 0.000 1.006 220 S CA -0.114 58.070 58.200 -0.027 0.000 0.915 220 S CB 0.301 63.488 63.200 -0.023 0.000 0.824 220 S HN 0.830 9.140 8.310 -0.000 0.000 0.497 221 E N -0.099 120.099 120.200 -0.003 0.000 2.378 221 E HA 0.561 5.053 4.350 0.238 0.000 0.283 221 E C -2.096 174.521 176.600 0.029 0.000 0.979 221 E CA -0.707 55.696 56.400 0.004 0.000 0.795 221 E CB 1.607 31.304 29.700 -0.005 0.000 1.221 221 E HN 0.317 8.677 8.360 -0.000 0.000 0.428 222 I N 2.998 123.589 120.570 0.035 0.000 2.478 222 I HA 0.300 4.612 4.170 0.238 0.000 0.287 222 I C -0.565 175.569 176.117 0.029 0.000 1.042 222 I CA -0.587 60.746 61.300 0.055 0.000 1.067 222 I CB 1.967 40.030 38.000 0.104 0.000 1.233 222 I HN 0.474 8.684 8.210 -0.000 0.000 0.431 223 E N 7.055 127.267 120.200 0.019 0.000 2.191 223 E HA 0.662 5.155 4.350 0.238 0.000 0.278 223 E C -1.459 175.145 176.600 0.007 0.000 0.972 223 E CA -0.551 55.853 56.400 0.007 0.000 0.804 223 E CB 1.558 31.258 29.700 -0.000 0.000 1.110 223 E HN 0.489 8.849 8.360 -0.000 0.000 0.394 224 L N 3.241 124.467 121.223 0.005 0.000 2.301 224 L HA 0.704 5.186 4.340 0.238 0.000 0.264 224 L C -0.740 176.131 176.870 0.001 0.000 1.016 224 L CA -1.172 53.670 54.840 0.004 0.000 0.821 224 L CB 1.778 43.841 42.059 0.008 0.000 1.346 224 L HN 0.594 8.824 8.230 -0.000 0.000 0.429 225 R N 0.094 120.594 120.500 -0.001 0.000 2.644 225 R HA 0.454 4.936 4.340 0.238 0.000 0.257 225 R C -3.082 173.216 176.300 -0.002 0.000 1.082 225 R CA -1.354 54.745 56.100 -0.001 0.000 0.927 225 R CB -0.274 30.025 30.300 -0.002 0.000 1.258 225 R HN 0.224 8.494 8.270 -0.000 0.000 0.459 226 P HA 0.128 4.548 4.420 -0.000 0.000 0.264 226 P C -0.766 176.532 177.300 -0.004 0.000 1.193 226 P CA 0.049 63.147 63.100 -0.003 0.000 0.763 226 P CB 0.849 32.548 31.700 -0.002 0.000 0.810 227 T N 0.000 114.551 114.554 -0.005 0.000 3.816 227 T HA 0.000 4.493 4.350 0.238 0.000 0.228 227 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 227 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 227 T HN 0.000 8.240 8.240 -0.000 0.000 0.658