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 2ks6_1_A DATA FIRST_RESID 1 DATA SEQUENCE GIIEEKALFV TCGATVPFPK LVSCVLSDEF CQELIQYGFV RLIIQFGRNY DATA SEQUENCE SSEFEHLVQE RGGQRESQKI PIDQFGCGDT ARQYVLMNGK LKVIGFDFST DATA SEQUENCE KMQSIIRDYS DLVISHAGTG SILDSLRLNK PLIVCVNDSL MDNHQQQIAD DATA SEQUENCE KFVELGYVWS CAPTETGLIA GLRASQTEKL KPFPVSHNPS FERLLVETIY DATA SEQUENCE S 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.926 3.960 -0.057 0.000 0.244 1 G C 0.000 174.877 174.900 -0.038 0.000 0.946 1 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 2 I N 0.364 120.915 120.570 -0.032 0.000 2.277 2 I HA -0.151 4.007 4.170 -0.019 0.000 0.243 2 I C 1.454 177.558 176.117 -0.021 0.000 1.094 2 I CA 1.494 62.781 61.300 -0.023 0.000 1.393 2 I CB 0.119 38.107 38.000 -0.020 0.000 1.078 2 I HN -0.215 7.975 8.210 -0.034 0.000 0.417 3 I N -1.606 118.950 120.570 -0.025 0.000 2.277 3 I HA -0.138 4.022 4.170 -0.017 0.000 0.243 3 I C 0.537 176.640 176.117 -0.024 0.000 1.094 3 I CA 1.319 62.605 61.300 -0.022 0.000 1.393 3 I CB 0.279 38.265 38.000 -0.024 0.000 1.078 3 I HN -0.522 7.670 8.210 -0.029 0.000 0.417 4 E N -0.184 119.993 120.200 -0.038 0.000 2.227 4 E HA 0.154 4.486 4.350 -0.029 0.000 0.268 4 E C -1.594 174.964 176.600 -0.070 0.000 0.907 4 E CA -1.158 55.211 56.400 -0.053 0.000 0.786 4 E CB 1.454 31.106 29.700 -0.079 0.000 1.191 4 E HN -0.457 7.877 8.360 -0.043 0.000 0.411 5 E N 1.576 121.735 120.200 -0.069 0.000 2.283 5 E HA 0.018 4.346 4.350 -0.037 0.000 0.278 5 E C 0.024 176.526 176.600 -0.165 0.000 1.027 5 E CA -0.419 55.946 56.400 -0.058 0.000 0.843 5 E CB 0.903 30.633 29.700 0.049 0.000 1.062 5 E HN 0.098 8.435 8.360 -0.038 0.000 0.401 6 K N 1.947 122.291 120.400 -0.093 0.000 2.154 6 K HA 0.102 4.495 4.320 -0.149 -0.162 0.264 6 K C -1.014 175.609 176.600 0.037 0.000 1.008 6 K CA -0.256 55.979 56.287 -0.087 0.000 0.937 6 K CB 1.287 33.717 32.500 -0.116 0.000 1.002 6 K HN 0.137 8.356 8.250 -0.052 0.000 0.469 7 A N 1.368 124.257 122.820 0.117 0.000 2.547 7 A HA 0.403 5.078 4.320 0.359 -0.139 0.297 7 A C -2.942 174.862 177.584 0.367 0.000 1.056 7 A CA -0.634 51.576 52.037 0.289 0.000 0.688 7 A CB 3.966 23.154 19.000 0.313 0.000 1.282 7 A HN 0.713 9.258 8.150 0.089 -0.342 0.400 8 L N 2.409 123.856 121.223 0.373 0.000 2.305 8 L HA 0.595 5.025 4.340 0.150 0.000 0.284 8 L C -2.477 174.562 176.870 0.281 0.000 1.013 8 L CA -1.290 53.675 54.840 0.207 0.000 0.819 8 L CB 3.445 45.484 42.059 -0.034 0.000 1.227 8 L HN 0.651 9.112 8.230 0.386 0.000 0.417 9 F N 8.969 128.979 119.950 0.100 0.000 2.415 9 F HA 0.764 5.566 4.527 0.167 -0.175 0.348 9 F C -2.146 173.718 175.800 0.107 0.000 1.119 9 F CA -2.931 55.141 58.000 0.120 0.000 1.069 9 F CB 2.997 42.049 39.000 0.087 0.000 1.124 9 F HN 0.636 9.109 8.300 0.289 0.000 0.472 10 V N 8.574 128.146 119.914 -0.570 0.000 2.448 10 V HA 0.290 4.368 4.120 -0.276 -0.124 0.295 10 V C -1.785 173.910 176.094 -0.665 0.000 1.025 10 V CA -1.079 60.977 62.300 -0.406 0.000 0.859 10 V CB 2.348 34.163 31.823 -0.014 0.000 0.988 10 V HN 0.953 8.859 8.190 -0.474 0.000 0.431 11 T N 7.386 121.716 114.554 -0.373 0.000 2.909 11 T HA 0.505 4.826 4.350 -0.048 0.000 0.299 11 T C -1.695 173.085 174.700 0.133 0.000 1.073 11 T CA -1.529 60.493 62.100 -0.130 0.000 0.999 11 T CB 2.624 71.430 68.868 -0.104 0.000 1.098 11 T HN 0.874 8.970 8.240 -0.241 0.000 0.477 12 C N 5.144 124.589 119.300 0.241 0.000 2.614 12 C HA 0.391 5.015 4.460 0.274 0.000 0.320 12 C C 0.071 175.189 174.990 0.213 0.000 1.200 12 C CA -1.685 57.491 59.018 0.263 0.000 1.700 12 C CB 4.263 32.202 27.740 0.333 0.000 2.275 12 C HN 0.605 8.998 8.230 0.272 0.000 0.492 13 G N 0.113 109.020 108.800 0.178 0.000 2.531 13 G HA2 0.253 4.297 3.960 0.140 0.000 0.281 13 G HA3 0.253 4.452 3.960 0.141 -0.154 0.281 13 G C -0.781 174.205 174.900 0.143 0.000 1.382 13 G CA -1.347 43.842 45.100 0.149 0.000 1.045 13 G HN 0.175 8.575 8.290 0.184 0.000 0.533 14 A N -1.464 121.427 122.820 0.119 0.000 2.345 14 A HA 0.256 4.643 4.320 0.111 0.000 0.225 14 A C 0.779 178.412 177.584 0.082 0.000 1.243 14 A CA 0.355 52.453 52.037 0.102 0.000 0.875 14 A CB 0.253 19.307 19.000 0.091 0.000 0.929 14 A HN 0.434 8.654 8.150 0.116 0.000 0.502 15 T N 0.319 114.925 114.554 0.086 0.000 2.708 15 T HA -0.291 4.095 4.350 0.061 0.000 0.266 15 T C -0.249 174.477 174.700 0.042 0.000 1.037 15 T CA 3.577 65.718 62.100 0.068 0.000 1.146 15 T CB 0.426 69.345 68.868 0.085 0.000 0.865 15 T HN 0.208 8.431 8.240 0.105 0.080 0.435 16 V N -5.805 114.129 119.914 0.033 0.000 3.102 16 V HA 0.409 4.527 4.120 -0.003 0.000 0.312 16 V C -3.026 173.056 176.094 -0.020 0.000 1.135 16 V CA -3.887 58.411 62.300 -0.004 0.000 1.022 16 V CB 1.658 33.464 31.823 -0.029 0.000 1.056 16 V HN -0.738 7.481 8.190 0.049 0.000 0.436 17 P HA 0.052 4.454 4.420 -0.030 0.000 0.265 17 P C -0.546 176.659 177.300 -0.158 0.000 1.193 17 P CA -0.009 63.045 63.100 -0.076 0.000 0.765 17 P CB 0.507 32.153 31.700 -0.090 0.000 0.823 18 F N 5.454 125.174 119.950 -0.383 0.000 2.146 18 F HA -0.177 4.133 4.527 -0.362 0.000 0.298 18 F C -0.232 175.209 175.800 -0.598 0.000 1.096 18 F CA 4.715 62.400 58.000 -0.525 0.000 1.275 18 F CB -1.687 36.846 39.000 -0.779 0.000 1.008 18 F HN 0.575 8.812 8.300 -0.106 0.000 0.480 19 P HA -0.336 3.787 4.420 -0.494 0.000 0.216 19 P C 0.630 177.660 177.300 -0.449 0.000 1.150 19 P CA 2.743 65.570 63.100 -0.456 0.000 0.843 19 P CB -0.528 31.005 31.700 -0.279 0.000 0.787 20 K N -5.262 114.910 120.400 -0.379 0.000 2.288 20 K HA -0.175 3.976 4.320 -0.282 0.000 0.201 20 K C 1.343 177.691 176.600 -0.421 0.000 1.048 20 K CA 2.096 58.188 56.287 -0.324 0.000 0.956 20 K CB -0.388 31.977 32.500 -0.225 0.000 0.746 20 K HN -0.575 7.456 8.250 -0.336 0.017 0.461 21 L N -3.588 117.272 121.223 -0.604 0.000 2.558 21 L HA -0.046 3.908 4.340 -0.643 0.000 0.225 21 L C 0.895 177.242 176.870 -0.872 0.000 1.128 21 L CA 0.578 54.945 54.840 -0.788 0.000 0.868 21 L CB 0.237 41.716 42.059 -0.966 0.000 1.006 21 L HN -0.155 7.509 8.230 -0.646 0.178 0.454 22 V N -1.526 117.877 119.914 -0.851 0.000 2.379 22 V HA -0.418 3.225 4.120 -0.794 0.000 0.245 22 V C 1.989 177.759 176.094 -0.540 0.000 1.044 22 V CA 3.901 65.727 62.300 -0.790 0.000 1.036 22 V CB 0.209 31.489 31.823 -0.906 0.000 0.664 22 V HN -0.822 6.707 8.190 -0.807 0.177 0.453 23 S N 0.164 115.604 115.700 -0.433 0.000 2.481 23 S HA -0.241 4.077 4.470 -0.254 0.000 0.231 23 S C 0.853 175.276 174.600 -0.294 0.000 0.996 23 S CA 2.791 60.812 58.200 -0.298 0.000 0.942 23 S CB -0.194 62.874 63.200 -0.220 0.000 0.768 23 S HN -0.433 7.610 8.310 -0.446 0.000 0.520 24 C N -1.864 117.214 119.300 -0.369 0.000 2.481 24 C HA -0.030 4.302 4.460 -0.214 0.000 0.275 24 C C 0.676 175.321 174.990 -0.576 0.000 1.419 24 C CA 0.954 59.773 59.018 -0.332 0.000 1.773 24 C CB 0.689 28.246 27.740 -0.304 0.000 1.862 24 C HN -0.213 7.599 8.230 -0.439 0.154 0.530 25 V N -7.179 112.290 119.914 -0.742 0.000 3.432 25 V HA 0.181 2.458 4.120 -3.072 0.000 0.298 25 V C -0.881 174.782 176.094 -0.717 0.000 1.464 25 V CA -0.537 60.948 62.300 -1.358 0.000 1.046 25 V CB 1.227 32.588 31.823 -0.770 0.000 0.887 25 V HN -0.776 6.906 8.190 -0.566 0.169 0.441 26 L N -0.759 120.248 121.223 -0.361 0.000 3.288 26 L HA 0.395 4.756 4.340 0.035 0.000 0.293 26 L C -0.814 176.029 176.870 -0.044 0.000 1.294 26 L CA -1.001 53.779 54.840 -0.101 0.000 1.006 26 L CB 0.044 42.036 42.059 -0.112 0.000 1.407 26 L HN -0.815 7.058 8.230 -0.394 0.120 0.592 27 S N -0.969 114.718 115.700 -0.022 0.000 2.614 27 S HA -0.010 4.453 4.470 -0.011 0.000 0.265 27 S C 0.894 175.547 174.600 0.089 0.000 1.303 27 S CA -1.432 56.785 58.200 0.029 0.000 1.000 27 S CB 1.962 65.185 63.200 0.037 0.000 0.935 27 S HN -0.753 7.440 8.310 -0.092 0.062 0.551 28 D N 1.892 122.324 120.400 0.055 0.000 2.104 28 D HA -0.336 4.330 4.640 0.044 0.000 0.194 28 D C 2.170 178.505 176.300 0.058 0.000 0.994 28 D CA 3.813 57.842 54.000 0.048 0.000 0.830 28 D CB -0.365 40.451 40.800 0.026 0.000 0.959 28 D HN 0.563 8.953 8.370 0.033 0.000 0.452 29 E N -0.217 120.026 120.200 0.072 0.000 2.072 29 E HA -0.249 4.112 4.350 0.019 0.000 0.190 29 E C 1.919 178.558 176.600 0.066 0.000 0.982 29 E CA 2.546 58.980 56.400 0.056 0.000 0.803 29 E CB -0.045 29.695 29.700 0.066 0.000 0.755 29 E HN -0.144 8.261 8.360 0.075 0.000 0.453 30 F N 1.403 121.347 119.950 -0.010 0.000 2.095 30 F HA -0.381 4.149 4.527 0.005 0.000 0.298 30 F C 1.635 177.423 175.800 -0.019 0.000 1.104 30 F CA 3.736 61.734 58.000 -0.004 0.000 1.232 30 F CB 0.308 39.312 39.000 0.008 0.000 0.987 30 F HN -0.308 8.151 8.300 0.265 0.000 0.475 31 C N -2.118 117.285 119.300 0.173 0.000 2.486 31 C HA -0.473 4.043 4.460 0.093 0.000 0.279 31 C C 1.538 176.503 174.990 -0.042 0.000 1.302 31 C CA 4.401 63.469 59.018 0.083 0.000 1.720 31 C CB 0.058 27.879 27.740 0.134 0.000 2.030 31 C HN -0.247 8.127 8.230 0.240 0.000 0.490 32 Q N 0.201 119.974 119.800 -0.045 0.000 2.167 32 Q HA -0.314 3.992 4.340 -0.057 0.000 0.202 32 Q C 1.615 177.502 176.000 -0.188 0.000 0.970 32 Q CA 3.087 58.843 55.803 -0.079 0.000 0.855 32 Q CB -0.130 28.581 28.738 -0.045 0.000 0.911 32 Q HN -0.545 7.724 8.270 -0.001 0.000 0.438 33 E N -2.552 117.469 120.200 -0.297 0.000 2.122 33 E HA -0.114 3.912 4.350 -0.539 0.000 0.190 33 E C 2.783 178.782 176.600 -1.002 0.000 0.977 33 E CA 1.847 57.871 56.400 -0.628 0.000 0.820 33 E CB 0.100 29.469 29.700 -0.553 0.000 0.770 33 E HN -0.189 8.010 8.360 -0.227 0.024 0.462 34 L N -0.799 120.066 121.223 -0.597 0.000 2.093 34 L HA -0.275 3.918 4.340 -0.245 0.000 0.208 34 L C 1.871 178.671 176.870 -0.117 0.000 1.085 34 L CA 3.043 57.700 54.840 -0.306 0.000 0.755 34 L CB -0.142 41.800 42.059 -0.196 0.000 0.904 34 L HN -0.765 7.197 8.230 -0.445 0.000 0.435 35 I N -8.212 112.279 120.570 -0.133 0.000 2.916 35 I HA -0.263 3.904 4.170 -0.005 0.000 0.267 35 I C 0.567 176.641 176.117 -0.072 0.000 1.263 35 I CA 1.951 63.217 61.300 -0.056 0.000 1.471 35 I CB -0.556 37.423 38.000 -0.034 0.000 1.089 35 I HN -0.822 7.274 8.210 -0.171 0.012 0.468 36 Q N -1.938 117.770 119.800 -0.153 0.000 2.352 36 Q HA -0.077 4.247 4.340 -0.025 0.000 0.212 36 Q C 0.732 176.793 176.000 0.101 0.000 0.888 36 Q CA 0.973 56.735 55.803 -0.068 0.000 0.934 36 Q CB 0.778 29.456 28.738 -0.100 0.000 1.093 36 Q HN -0.298 7.601 8.270 -0.306 0.187 0.523 37 Y N -1.421 118.872 120.300 -0.012 0.000 2.476 37 Y HA -0.004 4.521 4.550 -0.042 0.000 0.283 37 Y C 1.029 176.798 175.900 -0.220 0.000 1.109 37 Y CA -1.296 56.786 58.100 -0.031 0.000 1.246 37 Y CB 1.075 39.624 38.460 0.149 0.000 1.068 37 Y HN -0.540 7.493 8.280 -0.094 0.191 0.552 38 G N -3.186 105.556 108.800 -0.096 0.000 2.145 38 G HA2 -0.231 3.632 3.960 -0.162 0.000 0.145 38 G HA3 -0.231 3.489 3.960 -0.400 0.000 0.145 38 G C -0.485 174.121 174.900 -0.490 0.000 1.017 38 G CA -0.283 44.634 45.100 -0.305 0.000 0.682 38 G HN -0.414 7.880 8.290 0.006 0.000 0.504 39 F N 1.171 121.149 119.950 0.047 0.000 2.371 39 F HA 0.335 4.901 4.527 0.064 0.000 0.343 39 F C -0.933 174.894 175.800 0.045 0.000 1.150 39 F CA -1.515 56.514 58.000 0.049 0.000 1.220 39 F CB -0.202 38.823 39.000 0.040 0.000 1.475 39 F HN -0.057 8.289 8.300 0.076 0.000 0.521 40 V N -6.443 113.571 119.914 0.168 0.000 3.608 40 V HA 0.158 4.357 4.120 0.131 0.000 0.269 40 V C -0.646 175.559 176.094 0.185 0.000 1.245 40 V CA -0.519 61.867 62.300 0.142 0.000 1.138 40 V CB 1.163 33.041 31.823 0.091 0.000 0.841 40 V HN -0.505 7.752 8.190 0.112 0.000 0.451 41 R N 0.688 121.335 120.500 0.245 0.000 2.346 41 R HA 0.414 5.039 4.340 0.242 -0.139 0.309 41 R C -1.917 174.570 176.300 0.313 0.000 1.119 41 R CA -1.456 54.820 56.100 0.294 0.000 1.112 41 R CB 0.122 30.670 30.300 0.413 0.000 1.132 41 R HN -0.490 7.886 8.270 0.259 0.050 0.538 42 L N 6.448 127.826 121.223 0.258 0.000 2.265 42 L HA 0.623 5.304 4.340 0.289 -0.167 0.289 42 L C -2.381 174.641 176.870 0.254 0.000 1.033 42 L CA -0.923 54.079 54.840 0.270 0.000 0.814 42 L CB 2.687 44.911 42.059 0.276 0.000 1.203 42 L HN 0.499 8.860 8.230 0.218 0.000 0.423 43 I N 8.179 128.928 120.570 0.299 0.000 2.355 43 I HA 0.464 4.972 4.170 0.243 -0.192 0.288 43 I C -1.367 174.920 176.117 0.284 0.000 0.999 43 I CA -1.017 60.472 61.300 0.315 0.000 1.163 43 I CB 1.783 40.050 38.000 0.444 0.000 1.316 43 I HN 0.822 9.231 8.210 0.331 0.000 0.454 44 I N 7.460 128.194 120.570 0.273 0.000 2.389 44 I HA 0.415 4.819 4.170 0.115 -0.166 0.288 44 I C -1.607 174.747 176.117 0.395 0.000 0.999 44 I CA -1.459 60.010 61.300 0.283 0.000 1.129 44 I CB 1.974 40.233 38.000 0.432 0.000 1.288 44 I HN 0.673 9.036 8.210 0.256 0.000 0.444 45 Q N 6.480 126.456 119.800 0.292 0.000 2.245 45 Q HA 0.628 5.259 4.340 0.485 0.000 0.256 45 Q C -1.091 175.117 176.000 0.345 0.000 0.942 45 Q CA -1.985 54.001 55.803 0.305 0.000 0.896 45 Q CB 2.526 31.247 28.738 -0.029 0.000 1.272 45 Q HN 0.342 8.658 8.270 0.076 0.000 0.442 46 F N -2.058 118.030 119.950 0.229 0.000 2.686 46 F HA 0.442 4.886 4.527 -0.139 0.000 0.311 46 F C -1.725 174.061 175.800 -0.023 0.000 1.128 46 F CA -1.500 56.440 58.000 -0.100 0.000 0.946 46 F CB 1.726 40.424 39.000 -0.503 0.000 1.336 46 F HN -0.345 7.750 8.300 -0.343 0.000 0.457 47 G N -1.755 107.143 108.800 0.162 0.000 2.709 47 G HA2 0.003 4.082 3.960 0.014 0.000 0.208 47 G HA3 0.003 4.006 3.960 0.071 0.000 0.208 47 G C -0.726 174.206 174.900 0.054 0.000 1.129 47 G CA -0.471 44.674 45.100 0.075 0.000 0.793 47 G HN 0.347 8.731 8.290 0.157 0.000 0.524 48 R N -0.971 119.553 120.500 0.041 0.000 2.664 48 R HA 0.081 4.330 4.340 -0.153 0.000 0.286 48 R C -1.281 174.721 176.300 -0.497 0.000 0.967 48 R CA -1.537 54.422 56.100 -0.235 0.000 0.933 48 R CB 1.901 31.988 30.300 -0.355 0.000 1.146 48 R HN -0.626 7.716 8.270 0.121 0.000 0.468 49 N N 1.641 120.084 118.700 -0.429 0.000 2.418 49 N HA -0.221 4.440 4.740 -0.131 0.000 0.277 49 N C -1.027 174.039 175.510 -0.740 0.000 1.317 49 N CA 1.209 54.032 53.050 -0.378 0.000 0.922 49 N CB -0.179 38.197 38.487 -0.185 0.000 1.194 49 N HN 0.313 8.503 8.380 -0.317 0.000 0.485 50 Y N 4.574 124.525 120.300 -0.581 0.000 2.716 50 Y HA 0.095 4.528 4.550 -0.194 0.000 0.260 50 Y C 0.885 176.711 175.900 -0.124 0.000 1.141 50 Y CA -1.205 56.678 58.100 -0.361 0.000 1.168 50 Y CB -0.587 37.671 38.460 -0.336 0.000 1.189 50 Y HN 0.120 7.665 8.280 -1.225 0.000 0.549 51 S N 2.234 117.961 115.700 0.045 0.000 2.447 51 S HA -0.208 4.586 4.470 0.539 0.000 0.233 51 S C 1.432 176.224 174.600 0.320 0.000 1.006 51 S CA 3.803 62.194 58.200 0.318 0.000 0.957 51 S CB -0.128 63.228 63.200 0.261 0.000 0.773 51 S HN 0.328 8.903 8.310 -0.080 -0.313 0.507 52 S N 1.180 116.982 115.700 0.169 0.000 2.428 52 S HA -0.101 4.462 4.470 0.155 0.000 0.230 52 S C 1.776 176.431 174.600 0.092 0.000 1.014 52 S CA 2.506 60.782 58.200 0.128 0.000 0.957 52 S CB -0.293 62.946 63.200 0.065 0.000 0.784 52 S HN 0.122 8.459 8.310 0.108 0.038 0.499 53 E N 1.865 122.076 120.200 0.018 0.000 2.216 53 E HA -0.117 4.165 4.350 -0.113 0.000 0.192 53 E C 2.043 178.487 176.600 -0.260 0.000 0.988 53 E CA 1.838 58.141 56.400 -0.161 0.000 0.834 53 E CB -0.455 29.059 29.700 -0.309 0.000 0.772 53 E HN -0.364 7.890 8.360 0.066 0.146 0.479 54 F N -0.500 119.386 119.950 -0.107 0.000 2.179 54 F HA -0.166 4.169 4.527 -0.321 0.000 0.292 54 F C 1.941 177.539 175.800 -0.338 0.000 1.089 54 F CA 3.430 61.217 58.000 -0.355 0.000 1.295 54 F CB 0.087 38.693 39.000 -0.658 0.000 1.041 54 F HN -0.836 7.442 8.300 0.170 0.124 0.487 55 E N -0.305 119.977 120.200 0.137 0.000 2.110 55 E HA -0.456 4.082 4.350 0.314 0.000 0.193 55 E C 1.988 178.668 176.600 0.134 0.000 0.988 55 E CA 3.017 59.558 56.400 0.235 0.000 0.804 55 E CB -0.024 29.857 29.700 0.301 0.000 0.745 55 E HN -0.189 8.323 8.360 0.254 0.000 0.458 56 H N 0.275 119.356 119.070 0.018 0.000 2.290 56 H HA -0.258 4.304 4.556 0.011 0.000 0.298 56 H C 2.110 177.423 175.328 -0.025 0.000 1.087 56 H CA 3.595 59.637 56.048 -0.010 0.000 1.291 56 H CB -0.014 29.721 29.762 -0.044 0.000 1.369 56 H HN -0.378 8.003 8.280 0.192 0.014 0.492 57 L N -4.056 117.123 121.223 -0.073 0.000 2.201 57 L HA -0.317 3.894 4.340 -0.215 0.000 0.212 57 L C 1.171 177.982 176.870 -0.098 0.000 1.105 57 L CA 2.274 57.036 54.840 -0.129 0.000 0.775 57 L CB -0.121 41.887 42.059 -0.084 0.000 0.913 57 L HN -0.845 7.400 8.230 0.025 0.000 0.440 58 V N -2.677 117.211 119.914 -0.043 0.000 2.358 58 V HA -0.574 3.561 4.120 0.024 0.000 0.246 58 V C 1.970 178.058 176.094 -0.009 0.000 1.047 58 V CA 3.672 65.984 62.300 0.019 0.000 1.035 58 V CB 0.180 32.078 31.823 0.126 0.000 0.658 58 V HN -0.783 7.290 8.190 -0.032 0.097 0.452 59 Q N -2.001 117.771 119.800 -0.046 0.000 2.297 59 Q HA -0.252 4.074 4.340 -0.022 0.000 0.204 59 Q C 1.908 177.835 176.000 -0.122 0.000 0.962 59 Q CA 2.655 58.419 55.803 -0.066 0.000 0.879 59 Q CB -0.063 28.637 28.738 -0.063 0.000 0.947 59 Q HN -0.202 7.958 8.270 -0.045 0.083 0.462 60 E N -3.234 116.847 120.200 -0.197 0.000 2.502 60 E HA -0.103 4.148 4.350 -0.165 0.000 0.194 60 E C 0.383 176.930 176.600 -0.090 0.000 1.062 60 E CA 1.051 57.342 56.400 -0.182 0.000 0.867 60 E CB -0.162 29.384 29.700 -0.256 0.000 0.888 60 E HN -0.420 7.651 8.360 -0.229 0.151 0.510 61 R N -3.937 116.528 120.500 -0.058 0.000 2.531 61 R HA 0.223 4.548 4.340 -0.024 0.000 0.316 61 R C 0.455 176.750 176.300 -0.009 0.000 0.955 61 R CA -1.249 54.836 56.100 -0.024 0.000 1.120 61 R CB 0.863 31.158 30.300 -0.009 0.000 1.361 61 R HN -0.576 7.454 8.270 -0.062 0.203 0.534 62 G N -0.033 108.760 108.800 -0.011 0.000 2.176 62 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.252 62 G HA3 -0.301 3.659 3.960 0.001 0.000 0.252 62 G C 0.168 175.079 174.900 0.018 0.000 1.024 62 G CA 0.448 45.549 45.100 0.002 0.000 0.755 62 G HN -0.491 7.656 8.290 -0.026 0.127 0.507 63 G N -0.572 108.246 108.800 0.030 0.000 2.525 63 G HA2 0.311 4.296 3.960 0.042 0.000 0.287 63 G HA3 0.311 4.433 3.960 0.064 -0.124 0.287 63 G C -1.532 173.405 174.900 0.061 0.000 1.350 63 G CA -0.669 44.462 45.100 0.050 0.000 1.039 63 G HN 0.053 8.334 8.290 0.025 0.024 0.513 64 Q N -2.716 117.128 119.800 0.072 0.000 2.418 64 Q HA 0.407 4.784 4.340 0.061 0.000 0.276 64 Q C -1.195 174.860 176.000 0.092 0.000 1.081 64 Q CA -1.860 53.983 55.803 0.066 0.000 0.864 64 Q CB 3.553 32.316 28.738 0.041 0.000 1.384 64 Q HN -0.159 8.156 8.270 0.075 0.000 0.467 65 R N -2.236 118.294 120.500 0.051 0.000 2.687 65 R HA 0.754 5.209 4.340 -0.047 -0.143 0.265 65 R C -1.950 174.306 176.300 -0.073 0.000 1.048 65 R CA -0.999 55.091 56.100 -0.015 0.000 0.884 65 R CB 3.044 33.377 30.300 0.055 0.000 1.258 65 R HN 0.160 8.452 8.270 0.035 0.000 0.469 66 E N 2.146 122.252 120.200 -0.156 0.000 2.321 66 E HA 0.250 4.550 4.350 -0.082 0.000 0.281 66 E C -1.705 174.798 176.600 -0.160 0.000 0.910 66 E CA -0.621 55.709 56.400 -0.117 0.000 0.770 66 E CB 3.942 33.598 29.700 -0.073 0.000 1.225 66 E HN 0.774 8.984 8.360 -0.250 0.000 0.417 67 S N 6.701 122.331 115.700 -0.116 0.000 2.488 67 S HA 0.010 4.516 4.470 -0.133 -0.117 0.278 67 S C -0.519 174.030 174.600 -0.084 0.000 1.259 67 S CA 1.322 59.460 58.200 -0.102 0.000 1.061 67 S CB 0.272 63.439 63.200 -0.056 0.000 0.910 67 S HN 0.401 8.662 8.310 -0.082 0.000 0.491 68 Q N 5.910 125.651 119.800 -0.099 0.000 2.423 68 Q HA 0.233 4.533 4.340 -0.066 0.000 0.278 68 Q C -0.774 175.172 176.000 -0.089 0.000 1.097 68 Q CA -1.660 54.092 55.803 -0.086 0.000 0.809 68 Q CB 4.233 32.915 28.738 -0.094 0.000 1.391 68 Q HN 0.406 8.606 8.270 -0.117 0.000 0.428 69 K N 2.693 123.050 120.400 -0.072 0.000 2.278 69 K HA -0.080 4.185 4.320 -0.092 0.000 0.237 69 K C -0.801 175.746 176.600 -0.089 0.000 1.229 69 K CA -0.297 55.943 56.287 -0.078 0.000 1.155 69 K CB -1.192 31.275 32.500 -0.055 0.000 1.590 69 K HN 0.323 8.538 8.250 -0.057 0.000 0.290 70 I N 3.293 123.784 120.570 -0.133 0.000 2.662 70 I HA -0.148 3.991 4.170 -0.052 0.000 0.285 70 I C -1.962 174.100 176.117 -0.091 0.000 1.161 70 I CA -3.949 57.280 61.300 -0.119 0.000 1.415 70 I CB -1.359 36.505 38.000 -0.228 0.000 1.385 70 I HN -0.598 7.470 8.210 -0.162 0.044 0.552 71 P HA 0.012 4.394 4.420 -0.062 0.000 0.263 71 P C 0.697 177.960 177.300 -0.062 0.000 1.195 71 P CA -0.115 62.965 63.100 -0.033 0.000 0.762 71 P CB 0.537 32.224 31.700 -0.022 0.000 0.799 72 I N 4.749 125.258 120.570 -0.103 0.000 2.353 72 I HA -0.402 3.730 4.170 -0.117 -0.032 0.248 72 I C 1.670 177.725 176.117 -0.104 0.000 1.119 72 I CA 3.712 64.948 61.300 -0.108 0.000 1.417 72 I CB 0.134 38.075 38.000 -0.098 0.000 1.078 72 I HN 0.468 8.618 8.210 -0.100 0.000 0.421 73 D N -0.511 119.826 120.400 -0.104 0.000 2.144 73 D HA -0.269 4.317 4.640 -0.091 0.000 0.199 73 D C 1.157 177.336 176.300 -0.203 0.000 0.984 73 D CA 2.934 56.866 54.000 -0.115 0.000 0.834 73 D CB -0.926 39.821 40.800 -0.087 0.000 0.955 73 D HN 0.020 8.336 8.370 -0.090 0.000 0.465 74 Q N -1.027 118.600 119.800 -0.288 0.000 1.961 74 Q HA -0.094 3.919 4.340 -0.546 0.000 0.197 74 Q C 1.585 176.923 176.000 -1.102 0.000 0.977 74 Q CA 2.170 57.604 55.803 -0.615 0.000 0.830 74 Q CB 0.503 28.889 28.738 -0.587 0.000 0.896 74 Q HN -0.248 7.890 8.270 -0.198 0.013 0.437 75 F N -5.069 114.544 119.950 -0.562 0.000 2.383 75 F HA -0.100 3.861 4.527 -0.942 0.000 0.287 75 F C 0.251 175.915 175.800 -0.227 0.000 1.069 75 F CA 1.592 59.282 58.000 -0.517 0.000 1.402 75 F CB 2.371 41.224 39.000 -0.244 0.000 1.116 75 F HN -0.485 7.699 8.300 -0.193 0.000 0.549 76 G N -3.046 105.757 108.800 0.005 0.000 2.253 76 G HA2 -0.365 3.675 3.960 -0.020 0.000 0.209 76 G HA3 -0.365 3.665 3.960 0.116 0.000 0.209 76 G C 0.034 174.904 174.900 -0.049 0.000 0.997 76 G CA -0.451 44.668 45.100 0.031 0.000 0.640 76 G HN -0.349 7.877 8.290 -0.028 0.047 0.496 77 C N 1.881 121.066 119.300 -0.192 0.000 2.656 77 C HA 0.008 3.597 4.460 -1.452 0.000 0.391 77 C C -0.022 174.357 174.990 -1.018 0.000 1.300 77 C CA 0.480 58.964 59.018 -0.889 0.000 2.302 77 C CB 1.222 28.601 27.740 -0.602 0.000 2.655 77 C HN -0.273 7.879 8.230 -0.009 0.073 0.656 78 G N 0.133 107.801 108.800 -1.886 0.000 2.531 78 G HA2 -0.071 3.586 3.960 -0.506 0.000 0.281 78 G HA3 -0.071 3.492 3.960 -0.662 0.000 0.281 78 G C -0.339 174.277 174.900 -0.473 0.000 1.382 78 G CA -1.156 43.428 45.100 -0.860 0.000 1.045 78 G HN 0.154 5.912 8.290 -4.220 0.000 0.533 79 D N -2.051 118.233 120.400 -0.193 0.000 2.355 79 D HA 0.015 4.573 4.640 -0.137 0.000 0.218 79 D C 0.335 176.604 176.300 -0.051 0.000 1.004 79 D CA 1.997 55.931 54.000 -0.110 0.000 0.880 79 D CB 0.079 40.841 40.800 -0.063 0.000 0.911 79 D HN 0.425 8.722 8.370 -0.121 0.000 0.528 80 T N -6.678 107.893 114.554 0.028 0.000 3.086 80 T HA 0.011 4.382 4.350 0.035 0.000 0.250 80 T C 0.126 174.899 174.700 0.122 0.000 1.074 80 T CA -0.826 61.327 62.100 0.090 0.000 0.988 80 T CB 0.177 69.126 68.868 0.135 0.000 0.988 80 T HN -0.405 7.813 8.240 0.063 0.060 0.530 81 A N 2.410 125.268 122.820 0.064 0.000 2.462 81 A HA -0.053 4.533 4.320 0.192 -0.151 0.243 81 A C -1.596 175.944 177.584 -0.073 0.000 1.076 81 A CA 0.330 52.380 52.037 0.023 0.000 0.773 81 A CB 1.286 20.157 19.000 -0.215 0.000 1.010 81 A HN -0.813 7.118 8.150 -0.083 0.169 0.493 82 R N 2.209 122.647 120.500 -0.104 0.000 2.445 82 R HA 0.381 4.686 4.340 -0.247 -0.113 0.308 82 R C -1.388 174.636 176.300 -0.459 0.000 0.961 82 R CA -1.457 54.464 56.100 -0.299 0.000 0.862 82 R CB 3.497 33.571 30.300 -0.377 0.000 1.144 82 R HN 0.476 8.734 8.270 -0.021 0.000 0.447 83 Q N 7.142 126.695 119.800 -0.412 0.000 2.274 83 Q HA 0.612 5.023 4.340 -0.214 -0.200 0.256 83 Q C -1.478 174.279 176.000 -0.405 0.000 0.927 83 Q CA -1.006 54.610 55.803 -0.311 0.000 0.939 83 Q CB 2.626 31.263 28.738 -0.168 0.000 1.201 83 Q HN 0.558 8.635 8.270 -0.321 0.000 0.426 84 Y N 4.557 124.872 120.300 0.025 0.000 2.409 84 Y HA 0.235 4.817 4.550 0.053 0.000 0.339 84 Y C -0.502 175.432 175.900 0.055 0.000 1.033 84 Y CA -1.536 56.597 58.100 0.056 0.000 1.094 84 Y CB 3.157 41.676 38.460 0.098 0.000 1.210 84 Y HN 1.130 9.366 8.280 0.121 0.116 0.456 85 V N 3.252 123.283 119.914 0.195 0.000 2.328 85 V HA 0.213 4.401 4.120 0.113 0.000 0.278 85 V C -1.235 174.932 176.094 0.121 0.000 1.021 85 V CA -0.236 62.138 62.300 0.124 0.000 0.838 85 V CB 0.245 32.115 31.823 0.079 0.000 0.999 85 V HN 0.714 8.939 8.190 0.211 0.092 0.447 86 L N 6.806 128.096 121.223 0.113 0.000 2.333 86 L HA 0.433 4.822 4.340 0.080 0.000 0.263 86 L C -0.492 176.419 176.870 0.069 0.000 1.014 86 L CA -1.021 53.874 54.840 0.092 0.000 0.820 86 L CB 3.762 45.886 42.059 0.108 0.000 1.352 86 L HN 0.572 8.872 8.230 0.116 0.000 0.421 87 M N -2.081 117.550 119.600 0.052 0.000 2.653 87 M HA -0.412 4.086 4.480 0.029 0.000 0.203 87 M C -0.326 175.994 176.300 0.033 0.000 0.502 87 M CA 0.783 56.105 55.300 0.037 0.000 0.601 87 M CB -3.103 29.517 32.600 0.033 0.000 2.228 87 M HN 0.555 8.875 8.290 0.051 0.000 0.711 88 N N -4.369 114.352 118.700 0.035 0.000 2.776 88 N HA -0.297 4.462 4.740 0.031 0.000 0.249 88 N C 0.458 175.988 175.510 0.034 0.000 1.111 88 N CA 0.850 53.918 53.050 0.031 0.000 0.711 88 N CB -1.238 37.262 38.487 0.022 0.000 1.065 88 N HN 0.271 8.652 8.380 0.040 0.023 0.556 89 G N -5.390 103.436 108.800 0.044 0.000 2.175 89 G HA2 -0.422 3.569 3.960 0.053 0.000 0.244 89 G HA3 -0.422 3.561 3.960 0.039 0.000 0.244 89 G C 0.118 175.047 174.900 0.048 0.000 0.982 89 G CA 0.203 45.330 45.100 0.046 0.000 0.641 89 G HN -0.147 8.042 8.290 0.051 0.132 0.527 90 K N -0.209 120.217 120.400 0.044 0.000 2.217 90 K HA -0.122 4.221 4.320 0.038 0.000 0.202 90 K C -0.377 176.256 176.600 0.055 0.000 1.051 90 K CA 1.400 57.711 56.287 0.040 0.000 0.952 90 K CB 0.666 33.181 32.500 0.025 0.000 0.736 90 K HN -0.532 7.542 8.250 0.040 0.200 0.453 91 L N 0.052 121.317 121.223 0.070 0.000 2.325 91 L HA 0.187 4.588 4.340 0.101 0.000 0.281 91 L C -2.501 174.438 176.870 0.114 0.000 1.004 91 L CA -0.956 53.942 54.840 0.097 0.000 0.823 91 L CB 2.359 44.480 42.059 0.102 0.000 1.236 91 L HN -0.138 8.112 8.230 0.066 0.020 0.415 92 K N 7.489 127.962 120.400 0.123 0.000 2.293 92 K HA 0.574 5.133 4.320 0.115 -0.169 0.267 92 K C -1.191 175.491 176.600 0.137 0.000 1.010 92 K CA -1.376 54.980 56.287 0.116 0.000 0.875 92 K CB 1.557 34.111 32.500 0.089 0.000 1.106 92 K HN 0.702 9.029 8.250 0.128 0.000 0.450 93 V N 6.020 126.040 119.914 0.176 0.000 2.417 93 V HA 0.807 5.307 4.120 0.196 -0.262 0.291 93 V C -0.947 175.272 176.094 0.208 0.000 1.024 93 V CA -1.766 60.670 62.300 0.225 0.000 0.861 93 V CB 2.248 34.250 31.823 0.298 0.000 0.985 93 V HN 0.495 8.801 8.190 0.193 0.000 0.436 94 I N 7.248 127.882 120.570 0.108 0.000 2.339 94 I HA 0.607 4.976 4.170 -0.014 -0.207 0.290 94 I C -0.945 175.231 176.117 0.098 0.000 0.994 94 I CA -1.574 59.737 61.300 0.018 0.000 1.191 94 I CB 1.784 39.678 38.000 -0.177 0.000 1.343 94 I HN 1.019 9.191 8.210 0.117 0.108 0.458 95 G N 5.828 114.693 108.800 0.109 0.000 2.415 95 G HA2 0.766 4.933 3.960 0.049 0.000 0.327 95 G HA3 0.766 4.701 3.960 -0.041 0.000 0.327 95 G C -3.025 171.943 174.900 0.114 0.000 1.182 95 G CA -1.823 43.316 45.100 0.066 0.000 0.924 95 G HN 0.457 8.811 8.290 0.107 0.000 0.470 96 F N 4.495 124.227 119.950 -0.363 0.000 2.650 96 F HA 0.320 4.620 4.527 -0.379 0.000 0.310 96 F C -2.769 172.287 175.800 -1.240 0.000 1.112 96 F CA -0.544 57.067 58.000 -0.648 0.000 0.986 96 F CB 4.217 42.777 39.000 -0.733 0.000 1.285 96 F HN -0.397 7.744 8.300 -0.266 0.000 0.440 97 D N 7.166 126.501 120.400 -1.775 0.000 2.352 97 D HA 0.243 4.330 4.640 -1.316 -0.237 0.245 97 D C -0.800 174.617 176.300 -1.471 0.000 1.224 97 D CA -0.902 52.278 54.000 -1.366 0.000 0.879 97 D CB -0.277 40.166 40.800 -0.594 0.000 1.057 97 D HN 0.224 7.763 8.370 -1.386 0.000 0.491 98 F N 6.169 125.682 119.950 -0.728 0.000 2.399 98 F HA 0.080 4.541 4.527 -0.110 0.000 0.342 98 F C 0.349 176.059 175.800 -0.149 0.000 1.106 98 F CA 0.428 58.274 58.000 -0.255 0.000 1.196 98 F CB 1.374 40.373 39.000 -0.001 0.000 1.163 98 F HN 0.160 8.286 8.300 -0.289 0.000 0.547 99 S N 2.964 118.750 115.700 0.143 0.000 3.142 99 S HA -0.085 4.402 4.470 0.028 0.000 0.223 99 S C -0.030 174.635 174.600 0.109 0.000 0.939 99 S CA 1.113 59.358 58.200 0.076 0.000 0.826 99 S CB 0.321 63.547 63.200 0.044 0.000 0.823 99 S HN 0.353 8.822 8.310 0.265 0.000 0.612 100 T N 1.925 116.560 114.554 0.135 0.000 2.312 100 T HA 0.157 4.556 4.350 0.081 0.000 0.175 100 T C 0.558 175.326 174.700 0.112 0.000 0.727 100 T CA 0.293 62.454 62.100 0.102 0.000 1.333 100 T CB 0.337 69.251 68.868 0.077 0.000 2.928 100 T HN -0.476 7.868 8.240 0.173 0.000 0.403 101 K N 0.193 120.653 120.400 0.101 0.000 2.374 101 K HA 0.157 4.514 4.320 0.061 0.000 0.196 101 K C 0.935 177.598 176.600 0.104 0.000 1.023 101 K CA 0.381 56.715 56.287 0.078 0.000 1.103 101 K CB -0.017 32.513 32.500 0.049 0.000 0.848 101 K HN 0.082 8.389 8.250 0.095 0.000 0.528 102 M N -1.153 118.566 119.600 0.199 0.000 2.279 102 M HA -0.449 4.142 4.480 0.185 0.000 0.264 102 M C 0.980 177.475 176.300 0.325 0.000 1.062 102 M CA 4.178 59.659 55.300 0.302 0.000 1.099 102 M CB -0.030 32.829 32.600 0.431 0.000 1.394 102 M HN -0.062 8.289 8.290 0.214 0.067 0.426 103 Q N -3.355 116.549 119.800 0.174 0.000 2.297 103 Q HA -0.222 3.657 4.340 -0.769 0.000 0.204 103 Q C 1.636 177.472 176.000 -0.273 0.000 0.962 103 Q CA 2.564 58.191 55.803 -0.293 0.000 0.879 103 Q CB -0.837 27.759 28.738 -0.236 0.000 0.947 103 Q HN 0.322 8.714 8.270 0.242 0.022 0.462 104 S N 0.783 116.417 115.700 -0.111 0.000 2.446 104 S HA -0.146 4.227 4.470 -0.162 0.000 0.225 104 S C 1.724 176.260 174.600 -0.106 0.000 1.016 104 S CA 2.397 60.527 58.200 -0.116 0.000 0.943 104 S CB 0.170 63.344 63.200 -0.044 0.000 0.786 104 S HN -0.554 7.586 8.310 -0.019 0.158 0.508 105 I N 3.173 123.715 120.570 -0.048 0.000 2.179 105 I HA -0.415 3.746 4.170 -0.015 0.000 0.242 105 I C 1.602 177.705 176.117 -0.023 0.000 1.088 105 I CA 4.494 65.783 61.300 -0.017 0.000 1.357 105 I CB 0.060 38.072 38.000 0.019 0.000 1.051 105 I HN -0.265 7.850 8.210 -0.008 0.091 0.409 106 I N -0.307 120.227 120.570 -0.060 0.000 2.394 106 I HA -0.282 4.074 4.170 0.146 -0.098 0.251 106 I C 1.357 177.317 176.117 -0.261 0.000 1.136 106 I CA 1.323 62.595 61.300 -0.046 0.000 1.425 106 I CB -0.139 37.855 38.000 -0.009 0.000 1.079 106 I HN -0.401 7.779 8.210 -0.051 0.000 0.425 107 R N -0.090 120.099 120.500 -0.518 0.000 2.073 107 R HA -0.313 3.619 4.340 -0.678 0.000 0.234 107 R C 2.652 178.843 176.300 -0.182 0.000 1.134 107 R CA 3.763 59.564 56.100 -0.499 0.000 0.952 107 R CB -0.468 29.562 30.300 -0.451 0.000 0.850 107 R HN -0.681 7.194 8.270 -0.492 0.100 0.433 108 D N -0.451 119.887 120.400 -0.104 0.000 2.144 108 D HA -0.184 4.426 4.640 -0.050 0.000 0.199 108 D C 1.967 178.274 176.300 0.012 0.000 0.984 108 D CA 3.297 57.275 54.000 -0.037 0.000 0.834 108 D CB -0.396 40.392 40.800 -0.019 0.000 0.955 108 D HN -0.247 8.051 8.370 -0.120 0.000 0.465 109 Y N -0.534 119.719 120.300 -0.078 0.000 2.200 109 Y HA -0.315 4.200 4.550 -0.058 0.000 0.290 109 Y C -0.534 175.361 175.900 -0.007 0.000 1.137 109 Y CA 2.392 60.461 58.100 -0.051 0.000 1.163 109 Y CB 0.650 39.079 38.460 -0.052 0.000 0.988 109 Y HN -0.145 8.120 8.280 0.122 0.088 0.518 110 S N -2.555 113.145 115.700 -0.000 0.000 2.608 110 S HA -0.212 4.255 4.470 -0.006 0.000 0.261 110 S C 0.030 174.617 174.600 -0.020 0.000 1.314 110 S CA 0.016 58.222 58.200 0.010 0.000 0.992 110 S CB 1.775 65.070 63.200 0.157 0.000 0.935 110 S HN -0.430 7.724 8.310 0.059 0.192 0.564 111 D N -0.533 119.902 120.400 0.058 0.000 2.379 111 D HA 0.206 4.856 4.640 0.017 0.000 0.218 111 D C -0.200 176.162 176.300 0.104 0.000 1.006 111 D CA 2.062 56.108 54.000 0.077 0.000 0.893 111 D CB 2.007 42.891 40.800 0.139 0.000 1.019 111 D HN 0.372 8.820 8.370 0.130 0.000 0.503 112 L N -0.335 120.962 121.223 0.123 0.000 2.438 112 L HA 0.309 4.681 4.340 0.054 0.000 0.270 112 L C -2.799 174.118 176.870 0.078 0.000 0.972 112 L CA -0.522 54.354 54.840 0.060 0.000 0.831 112 L CB 3.549 45.588 42.059 -0.034 0.000 1.273 112 L HN -0.939 7.385 8.230 0.157 0.000 0.405 113 V N 6.483 126.443 119.914 0.077 0.000 2.394 113 V HA 0.385 4.820 4.120 0.265 -0.156 0.282 113 V C -1.318 174.793 176.094 0.028 0.000 1.031 113 V CA -0.983 61.401 62.300 0.140 0.000 0.881 113 V CB 1.743 33.657 31.823 0.152 0.000 0.982 113 V HN 0.575 8.790 8.190 0.042 0.000 0.451 114 I N 7.487 128.049 120.570 -0.014 0.000 2.339 114 I HA 0.524 4.835 4.170 -0.098 -0.201 0.290 114 I C -1.408 174.620 176.117 -0.149 0.000 0.994 114 I CA -1.411 59.825 61.300 -0.108 0.000 1.191 114 I CB 2.064 39.985 38.000 -0.132 0.000 1.343 114 I HN 0.941 9.152 8.210 0.001 0.000 0.458 115 S N 6.509 122.116 115.700 -0.156 0.000 2.448 115 S HA 0.442 5.029 4.470 -0.054 -0.149 0.320 115 S C -0.746 173.763 174.600 -0.151 0.000 1.071 115 S CA -2.030 56.103 58.200 -0.112 0.000 1.113 115 S CB 1.323 64.469 63.200 -0.091 0.000 0.972 115 S HN 0.842 9.068 8.310 -0.139 0.000 0.465 116 H N 10.071 129.145 119.070 0.006 0.000 3.118 116 H HA -0.028 4.540 4.556 0.020 0.000 0.266 116 H C -0.119 175.242 175.328 0.054 0.000 1.465 116 H CA 0.410 56.465 56.048 0.012 0.000 1.460 116 H CB -1.114 28.624 29.762 -0.039 0.000 1.661 116 H HN 0.655 8.982 8.280 0.079 0.000 0.516 117 A N 3.493 126.416 122.820 0.172 0.000 2.640 117 A HA -0.455 4.061 4.320 0.327 0.000 0.300 117 A C -1.128 176.584 177.584 0.213 0.000 1.499 117 A CA 0.707 52.881 52.037 0.228 0.000 0.759 117 A CB -1.496 17.612 19.000 0.181 0.000 1.048 117 A HN 0.479 8.710 8.150 0.135 0.000 0.450 118 G N -2.704 106.174 108.800 0.129 0.000 2.557 118 G HA2 0.058 4.092 3.960 0.123 0.000 0.292 118 G HA3 0.058 4.047 3.960 0.049 0.000 0.292 118 G C -1.075 173.855 174.900 0.050 0.000 1.237 118 G CA -0.880 44.273 45.100 0.087 0.000 0.978 118 G HN -0.628 7.705 8.290 0.075 0.002 0.498 119 T N -1.402 113.185 114.554 0.055 0.000 3.400 119 T HA 0.044 4.406 4.350 0.020 0.000 0.228 119 T C 2.313 177.024 174.700 0.019 0.000 0.992 119 T CA 1.115 63.248 62.100 0.055 0.000 1.222 119 T CB 1.111 70.054 68.868 0.124 0.000 1.236 119 T HN -0.256 8.025 8.240 0.069 0.000 0.357 120 G N 0.328 109.157 108.800 0.049 0.000 2.443 120 G HA2 -0.101 3.893 3.960 0.057 0.000 0.219 120 G HA3 -0.101 3.894 3.960 0.058 0.000 0.219 120 G C 1.283 176.202 174.900 0.031 0.000 1.131 120 G CA 1.869 46.998 45.100 0.049 0.000 0.775 120 G HN 0.326 8.656 8.290 0.065 0.000 0.547 121 S N 0.785 116.500 115.700 0.025 0.000 2.402 121 S HA -0.264 4.375 4.470 0.052 -0.137 0.229 121 S C 1.652 176.227 174.600 -0.042 0.000 1.021 121 S CA 2.943 61.157 58.200 0.023 0.000 0.974 121 S CB -0.669 62.561 63.200 0.050 0.000 0.800 121 S HN 0.138 8.444 8.310 0.034 0.025 0.484 122 I N 2.575 123.082 120.570 -0.104 0.000 2.252 122 I HA -0.377 3.660 4.170 -0.221 0.000 0.245 122 I C 1.596 177.609 176.117 -0.173 0.000 1.102 122 I CA 3.160 64.343 61.300 -0.196 0.000 1.385 122 I CB -0.179 37.634 38.000 -0.312 0.000 1.064 122 I HN -0.913 7.124 8.210 -0.094 0.116 0.414 123 L N -1.073 120.124 121.223 -0.043 0.000 2.083 123 L HA -0.493 3.956 4.340 0.182 0.000 0.209 123 L C 2.213 179.077 176.870 -0.009 0.000 1.083 123 L CA 3.277 58.173 54.840 0.093 0.000 0.752 123 L CB -0.777 41.398 42.059 0.194 0.000 0.899 123 L HN -0.657 7.495 8.230 -0.022 0.065 0.433 124 D N -1.095 119.289 120.400 -0.027 0.000 2.084 124 D HA -0.256 4.386 4.640 0.003 0.000 0.196 124 D C 2.732 178.972 176.300 -0.101 0.000 0.985 124 D CA 3.369 57.350 54.000 -0.031 0.000 0.826 124 D CB -0.748 40.050 40.800 -0.004 0.000 0.978 124 D HN 0.054 8.294 8.370 -0.018 0.120 0.456 125 S N -0.019 115.601 115.700 -0.133 0.000 2.368 125 S HA -0.248 4.162 4.470 -0.100 0.000 0.225 125 S C 1.885 176.324 174.600 -0.269 0.000 1.030 125 S CA 3.494 61.601 58.200 -0.156 0.000 0.999 125 S CB -0.337 62.782 63.200 -0.135 0.000 0.844 125 S HN -0.535 7.707 8.310 -0.113 0.000 0.459 126 L N -0.513 120.402 121.223 -0.513 0.000 2.291 126 L HA -0.182 3.755 4.340 -0.671 0.000 0.214 126 L C 1.598 177.963 176.870 -0.841 0.000 1.120 126 L CA 2.238 56.514 54.840 -0.941 0.000 0.799 126 L CB -0.531 40.499 42.059 -1.715 0.000 0.925 126 L HN -0.455 7.491 8.230 -0.473 0.000 0.446 127 R N -1.112 119.107 120.500 -0.469 0.000 2.112 127 R HA -0.174 4.221 4.340 0.093 0.000 0.216 127 R C 1.494 177.779 176.300 -0.025 0.000 1.080 127 R CA 2.482 58.550 56.100 -0.054 0.000 0.996 127 R CB 0.488 30.880 30.300 0.152 0.000 0.902 127 R HN -0.437 7.455 8.270 -0.374 0.153 0.449 128 L N -3.345 117.838 121.223 -0.067 0.000 2.591 128 L HA 0.004 4.327 4.340 -0.028 0.000 0.228 128 L C -1.025 175.817 176.870 -0.047 0.000 1.133 128 L CA 0.046 54.858 54.840 -0.047 0.000 0.880 128 L CB 0.014 42.039 42.059 -0.058 0.000 1.033 128 L HN -0.027 8.043 8.230 -0.113 0.093 0.450 129 N N -5.728 112.946 118.700 -0.044 0.000 2.780 129 N HA -0.328 4.600 4.740 0.013 -0.180 0.248 129 N C -0.936 174.558 175.510 -0.026 0.000 1.102 129 N CA 1.402 54.434 53.050 -0.029 0.000 0.697 129 N CB -1.549 36.902 38.487 -0.060 0.000 1.028 129 N HN -0.580 7.686 8.380 -0.062 0.077 0.554 130 K N -2.024 118.358 120.400 -0.029 0.000 2.156 130 K HA 0.513 4.830 4.320 -0.005 0.000 0.254 130 K C -1.956 174.645 176.600 0.000 0.000 0.950 130 K CA -3.515 52.763 56.287 -0.015 0.000 0.849 130 K CB 0.272 32.758 32.500 -0.023 0.000 1.100 130 K HN 0.033 8.234 8.250 -0.056 0.016 0.434 131 P HA 0.049 4.517 4.420 0.081 0.000 0.271 131 P C -1.937 175.367 177.300 0.006 0.000 1.216 131 P CA -0.196 62.934 63.100 0.050 0.000 0.776 131 P CB 0.674 32.417 31.700 0.072 0.000 0.881 132 L N 3.251 124.462 121.223 -0.019 0.000 2.406 132 L HA 0.720 5.221 4.340 -0.048 -0.190 0.272 132 L C -1.929 174.922 176.870 -0.032 0.000 0.980 132 L CA -1.000 53.798 54.840 -0.070 0.000 0.831 132 L CB 3.897 45.845 42.059 -0.186 0.000 1.253 132 L HN -0.494 7.743 8.230 0.011 0.000 0.406 133 I N 6.783 127.347 120.570 -0.009 0.000 2.339 133 I HA 0.493 4.949 4.170 0.133 -0.206 0.290 133 I C -1.265 174.850 176.117 -0.003 0.000 0.994 133 I CA -1.036 60.295 61.300 0.053 0.000 1.191 133 I CB 1.699 39.741 38.000 0.070 0.000 1.343 133 I HN 0.907 9.102 8.210 -0.025 0.000 0.458 134 V N 7.320 127.255 119.914 0.035 0.000 2.347 134 V HA 0.467 4.747 4.120 -0.039 -0.184 0.280 134 V C -1.161 174.983 176.094 0.084 0.000 1.021 134 V CA -1.688 60.629 62.300 0.028 0.000 0.847 134 V CB 1.901 33.760 31.823 0.060 0.000 0.990 134 V HN 1.012 9.154 8.190 0.094 0.104 0.444 135 C N 8.549 127.864 119.300 0.024 0.000 2.325 135 C HA 0.323 5.003 4.460 0.083 -0.170 0.347 135 C C -0.122 174.941 174.990 0.122 0.000 1.263 135 C CA -1.916 57.138 59.018 0.060 0.000 1.806 135 C CB 0.746 28.474 27.740 -0.020 0.000 2.405 135 C HN 0.742 8.933 8.230 -0.064 0.000 0.537 136 V N 4.209 124.198 119.914 0.125 0.000 3.336 136 V HA 0.188 4.412 4.120 0.174 0.000 0.304 136 V C -2.118 174.026 176.094 0.083 0.000 1.073 136 V CA -1.175 61.199 62.300 0.122 0.000 1.074 136 V CB 1.495 33.367 31.823 0.081 0.000 1.161 136 V HN -0.066 8.187 8.190 0.104 0.000 0.460 137 N N -1.936 116.798 118.700 0.058 0.000 2.476 137 N HA -0.007 4.757 4.740 0.040 0.000 0.276 137 N C 0.348 175.866 175.510 0.015 0.000 1.204 137 N CA -0.867 52.205 53.050 0.036 0.000 0.974 137 N CB 2.140 40.645 38.487 0.030 0.000 1.204 137 N HN 0.023 8.432 8.380 0.048 0.000 0.543 138 D N -2.180 118.223 120.400 0.005 0.000 2.340 138 D HA 0.010 4.647 4.640 -0.006 0.000 0.220 138 D C -0.227 176.065 176.300 -0.013 0.000 1.039 138 D CA 0.797 54.794 54.000 -0.006 0.000 0.866 138 D CB -0.157 40.638 40.800 -0.009 0.000 0.913 138 D HN 0.317 8.690 8.370 0.005 0.000 0.523 139 S N -2.684 113.010 115.700 -0.010 0.000 2.501 139 S HA -0.129 4.331 4.470 -0.017 0.000 0.220 139 S C 0.086 174.676 174.600 -0.017 0.000 0.997 139 S CA 0.618 58.810 58.200 -0.014 0.000 0.919 139 S CB -0.166 63.029 63.200 -0.008 0.000 0.778 139 S HN -0.433 7.814 8.310 -0.004 0.061 0.523 140 L N 3.006 124.220 121.223 -0.014 0.000 2.367 140 L HA 0.029 4.375 4.340 0.010 0.000 0.275 140 L C -0.261 176.587 176.870 -0.035 0.000 1.129 140 L CA -0.326 54.509 54.840 -0.008 0.000 0.839 140 L CB 0.958 43.011 42.059 -0.010 0.000 1.133 140 L HN -0.927 7.144 8.230 -0.010 0.153 0.453 141 M N 6.389 125.941 119.600 -0.080 0.000 2.251 141 M HA -0.210 4.174 4.480 -0.160 0.000 0.343 141 M C 0.465 176.674 176.300 -0.151 0.000 1.245 141 M CA 1.242 56.415 55.300 -0.211 0.000 1.061 141 M CB 0.988 33.246 32.600 -0.571 0.000 1.723 141 M HN 0.422 8.700 8.290 -0.021 0.000 0.449 142 D N 7.041 127.369 120.400 -0.121 0.000 2.158 142 D HA -0.390 4.218 4.640 -0.053 0.000 0.197 142 D C 1.598 177.852 176.300 -0.076 0.000 0.995 142 D CA 4.127 58.081 54.000 -0.077 0.000 0.846 142 D CB -0.482 40.279 40.800 -0.064 0.000 0.941 142 D HN 0.450 8.746 8.370 -0.122 0.000 0.456 143 N N -2.303 116.326 118.700 -0.118 0.000 2.166 143 N HA -0.208 4.503 4.740 -0.049 0.000 0.186 143 N C 2.323 177.842 175.510 0.015 0.000 1.019 143 N CA 2.625 55.630 53.050 -0.076 0.000 0.856 143 N CB -0.523 37.901 38.487 -0.104 0.000 0.993 143 N HN 0.559 8.827 8.380 -0.172 0.008 0.426 144 H N 1.191 120.216 119.070 -0.076 0.000 2.428 144 H HA -0.165 4.330 4.556 -0.103 0.000 0.296 144 H C 2.485 177.744 175.328 -0.115 0.000 1.062 144 H CA 2.294 58.283 56.048 -0.098 0.000 1.350 144 H CB 0.194 29.896 29.762 -0.100 0.000 1.403 144 H HN -0.316 7.737 8.280 -0.180 0.119 0.533 145 Q N -0.395 119.420 119.800 0.025 0.000 2.020 145 Q HA -0.408 3.913 4.340 -0.032 0.000 0.202 145 Q C 2.316 178.278 176.000 -0.064 0.000 0.982 145 Q CA 3.785 59.572 55.803 -0.027 0.000 0.838 145 Q CB -0.090 28.633 28.738 -0.024 0.000 0.899 145 Q HN 0.406 8.577 8.270 0.014 0.108 0.423 146 Q N -1.016 118.749 119.800 -0.057 0.000 2.119 146 Q HA -0.294 3.988 4.340 -0.097 0.000 0.201 146 Q C 2.154 178.095 176.000 -0.098 0.000 0.972 146 Q CA 2.775 58.531 55.803 -0.078 0.000 0.847 146 Q CB -0.463 28.241 28.738 -0.057 0.000 0.903 146 Q HN -0.421 7.825 8.270 -0.040 0.000 0.433 147 Q N 0.473 120.228 119.800 -0.076 0.000 2.050 147 Q HA -0.241 4.047 4.340 -0.086 0.000 0.202 147 Q C 2.563 178.451 176.000 -0.188 0.000 0.980 147 Q CA 2.688 58.433 55.803 -0.097 0.000 0.840 147 Q CB -0.552 28.155 28.738 -0.051 0.000 0.898 147 Q HN -0.332 7.915 8.270 -0.038 0.000 0.424 148 I N -0.856 119.569 120.570 -0.242 0.000 2.252 148 I HA -0.520 3.306 4.170 -0.574 0.000 0.245 148 I C 1.479 177.291 176.117 -0.509 0.000 1.102 148 I CA 3.501 64.524 61.300 -0.462 0.000 1.385 148 I CB -0.230 37.527 38.000 -0.406 0.000 1.064 148 I HN -0.115 7.993 8.210 -0.170 0.000 0.414 149 A N -0.118 122.528 122.820 -0.290 0.000 1.908 149 A HA -0.422 3.763 4.320 -0.225 0.000 0.218 149 A C 1.874 179.324 177.584 -0.224 0.000 1.181 149 A CA 3.588 55.473 52.037 -0.253 0.000 0.627 149 A CB -1.133 17.720 19.000 -0.246 0.000 0.818 149 A HN -0.059 7.895 8.150 -0.221 0.064 0.445 150 D N -2.455 117.835 120.400 -0.183 0.000 2.149 150 D HA -0.249 4.320 4.640 -0.118 0.000 0.198 150 D C 2.661 178.908 176.300 -0.088 0.000 0.990 150 D CA 3.482 57.408 54.000 -0.123 0.000 0.839 150 D CB -0.505 40.238 40.800 -0.094 0.000 0.948 150 D HN 0.270 8.419 8.370 -0.181 0.112 0.460 151 K N -0.848 119.480 120.400 -0.119 0.000 2.186 151 K HA 0.022 4.342 4.320 0.000 0.000 0.202 151 K C 2.393 179.071 176.600 0.130 0.000 1.052 151 K CA 1.246 57.511 56.287 -0.037 0.000 0.965 151 K CB -0.086 32.355 32.500 -0.099 0.000 0.746 151 K HN -0.846 7.163 8.250 -0.210 0.114 0.457 152 F N 0.439 120.363 119.950 -0.042 0.000 2.206 152 F HA -0.136 4.402 4.527 0.019 0.000 0.298 152 F C 2.172 177.945 175.800 -0.045 0.000 1.090 152 F CA 1.482 59.464 58.000 -0.031 0.000 1.323 152 F CB -0.743 38.223 39.000 -0.057 0.000 1.028 152 F HN -0.031 8.198 8.300 -0.119 0.000 0.492 153 V N -0.087 119.867 119.914 0.065 0.000 2.358 153 V HA -0.545 3.624 4.120 0.081 0.000 0.246 153 V C 1.910 178.030 176.094 0.043 0.000 1.047 153 V CA 3.992 66.293 62.300 0.003 0.000 1.035 153 V CB 0.023 31.759 31.823 -0.146 0.000 0.658 153 V HN 0.389 8.577 8.190 -0.004 0.000 0.452 154 E N -0.894 119.326 120.200 0.034 0.000 2.085 154 E HA -0.337 4.024 4.350 0.019 0.000 0.194 154 E C 2.294 178.912 176.600 0.030 0.000 0.994 154 E CA 2.607 59.026 56.400 0.032 0.000 0.801 154 E CB 0.108 29.830 29.700 0.035 0.000 0.743 154 E HN -0.633 7.740 8.360 0.022 0.000 0.453 155 L N -2.335 118.934 121.223 0.077 0.000 1.970 155 L HA -0.348 4.044 4.340 0.087 0.000 0.212 155 L C 0.778 177.511 176.870 -0.229 0.000 1.071 155 L CA 1.887 56.762 54.840 0.059 0.000 0.751 155 L CB 0.558 42.748 42.059 0.217 0.000 0.889 155 L HN -0.311 7.809 8.230 0.134 0.190 0.432 156 G N -6.763 101.938 108.800 -0.165 0.000 2.159 156 G HA2 -0.260 3.677 3.960 -0.038 0.000 0.227 156 G HA3 -0.260 3.431 3.960 -0.448 0.000 0.227 156 G C -0.049 174.647 174.900 -0.339 0.000 0.986 156 G CA 0.749 45.681 45.100 -0.280 0.000 0.651 156 G HN -0.072 8.225 8.290 0.013 0.000 0.523 157 Y N -2.710 117.688 120.300 0.162 0.000 2.432 157 Y HA 0.541 5.345 4.550 0.126 -0.178 0.252 157 Y C -1.186 174.743 175.900 0.048 0.000 1.097 157 Y CA -1.458 56.731 58.100 0.149 0.000 1.250 157 Y CB 1.646 40.291 38.460 0.308 0.000 1.245 157 Y HN -0.663 7.562 8.280 0.002 0.056 0.522 158 V N -2.292 117.678 119.914 0.094 0.000 2.735 158 V HA 0.694 5.022 4.120 -0.044 -0.234 0.310 158 V C -2.124 174.045 176.094 0.126 0.000 1.061 158 V CA -1.815 60.433 62.300 -0.087 0.000 0.913 158 V CB 3.511 34.938 31.823 -0.660 0.000 1.005 158 V HN -0.847 7.409 8.190 0.110 0.000 0.428 159 W N 6.411 127.687 121.300 -0.041 0.000 2.600 159 W HA 0.387 5.112 4.660 0.107 0.000 0.325 159 W C -2.459 174.124 176.519 0.107 0.000 1.034 159 W CA -1.340 56.038 57.345 0.055 0.000 1.226 159 W CB 3.951 33.424 29.460 0.021 0.000 1.379 159 W HN 0.764 9.050 8.180 0.176 0.000 0.466 160 S N 5.493 121.080 115.700 -0.189 0.000 2.525 160 S HA 0.647 5.403 4.470 0.148 -0.197 0.278 160 S C -0.412 174.144 174.600 -0.073 0.000 1.234 160 S CA -1.009 57.177 58.200 -0.024 0.000 1.058 160 S CB 1.040 64.237 63.200 -0.005 0.000 0.983 160 S HN 0.233 8.198 8.310 -0.575 0.000 0.495 161 C N 5.096 124.447 119.300 0.084 0.000 2.707 161 C HA 0.319 4.863 4.460 0.140 0.000 0.313 161 C C -1.279 173.760 174.990 0.082 0.000 1.209 161 C CA -1.934 57.157 59.018 0.122 0.000 1.635 161 C CB 3.858 31.705 27.740 0.177 0.000 2.206 161 C HN 0.734 9.029 8.230 0.108 0.000 0.485 162 A N 2.510 125.376 122.820 0.077 0.000 2.346 162 A HA 0.107 4.450 4.320 0.039 0.000 0.252 162 A C -1.380 176.241 177.584 0.061 0.000 1.089 162 A CA -1.177 50.893 52.037 0.054 0.000 0.797 162 A CB -0.113 18.914 19.000 0.046 0.000 1.047 162 A HN 0.470 8.678 8.150 0.096 0.000 0.494 163 P HA 0.153 4.657 4.420 0.058 -0.049 0.226 163 P C -1.692 175.626 177.300 0.030 0.000 1.783 163 P CA -0.342 62.783 63.100 0.042 0.000 0.980 163 P CB -1.977 29.739 31.700 0.027 0.000 1.967 164 T N -1.539 113.040 114.554 0.042 0.000 2.812 164 T HA 0.249 4.605 4.350 0.010 0.000 0.294 164 T C 0.034 174.757 174.700 0.038 0.000 1.159 164 T CA -2.334 59.783 62.100 0.030 0.000 1.008 164 T CB 2.789 71.677 68.868 0.034 0.000 1.289 164 T HN -0.319 7.883 8.240 0.061 0.074 0.514 165 E N -1.398 118.814 120.200 0.020 0.000 2.463 165 E HA 0.001 4.355 4.350 0.006 0.000 0.191 165 E C -0.147 176.499 176.600 0.077 0.000 1.083 165 E CA 1.099 57.510 56.400 0.019 0.000 0.872 165 E CB -0.337 29.352 29.700 -0.019 0.000 0.966 165 E HN 0.443 8.809 8.360 0.010 0.000 0.491 166 T N -4.434 110.174 114.554 0.090 0.000 3.010 166 T HA 0.268 4.699 4.350 0.136 0.000 0.253 166 T C 1.289 176.066 174.700 0.128 0.000 0.939 166 T CA 0.931 63.098 62.100 0.111 0.000 0.910 166 T CB 1.169 70.085 68.868 0.080 0.000 1.226 166 T HN -0.102 8.065 8.240 0.075 0.119 0.508 167 G N 2.291 111.162 108.800 0.118 0.000 2.432 167 G HA2 -0.191 3.851 3.960 0.138 0.000 0.219 167 G HA3 -0.191 3.839 3.960 0.117 0.000 0.219 167 G C 0.369 175.373 174.900 0.173 0.000 1.135 167 G CA 1.993 47.174 45.100 0.135 0.000 0.767 167 G HN 0.211 8.559 8.290 0.097 0.000 0.550 168 L N 0.837 122.166 121.223 0.176 0.000 2.005 168 L HA -0.218 4.228 4.340 0.178 0.000 0.207 168 L C 1.384 178.380 176.870 0.211 0.000 1.072 168 L CA 2.864 57.824 54.840 0.200 0.000 0.744 168 L CB -0.251 41.941 42.059 0.223 0.000 0.895 168 L HN -0.793 7.516 8.230 0.162 0.018 0.433 169 I N -2.663 118.056 120.570 0.247 0.000 2.614 169 I HA -0.428 3.791 4.170 0.082 0.000 0.258 169 I C 0.556 176.755 176.117 0.137 0.000 1.189 169 I CA 1.175 62.574 61.300 0.166 0.000 1.462 169 I CB -0.726 37.377 38.000 0.173 0.000 1.092 169 I HN -0.266 8.114 8.210 0.284 0.000 0.442 170 A N -0.061 122.844 122.820 0.141 0.000 1.898 170 A HA -0.297 4.084 4.320 0.101 0.000 0.216 170 A C 1.982 179.607 177.584 0.068 0.000 1.181 170 A CA 3.208 55.317 52.037 0.120 0.000 0.620 170 A CB -0.858 18.233 19.000 0.151 0.000 0.819 170 A HN -0.024 8.126 8.150 0.161 0.096 0.442 171 G N -2.083 106.789 108.800 0.120 0.000 2.421 171 G HA2 -0.227 3.566 3.960 -0.279 0.000 0.217 171 G HA3 -0.227 3.872 3.960 0.232 0.000 0.217 171 G C 1.238 175.983 174.900 -0.258 0.000 1.143 171 G CA 1.444 46.516 45.100 -0.046 0.000 0.784 171 G HN -0.391 7.919 8.290 0.186 0.091 0.541 172 L N 0.355 121.520 121.223 -0.096 0.000 2.217 172 L HA -0.269 3.960 4.340 -0.186 0.000 0.211 172 L C 2.037 178.780 176.870 -0.211 0.000 1.107 172 L CA 2.107 56.873 54.840 -0.124 0.000 0.783 172 L CB -0.329 41.692 42.059 -0.063 0.000 0.919 172 L HN 0.026 8.154 8.230 0.011 0.109 0.442 173 R N 0.233 120.610 120.500 -0.204 0.000 2.090 173 R HA -0.321 3.404 4.340 -1.024 0.000 0.228 173 R C 1.150 177.186 176.300 -0.440 0.000 1.110 173 R CA 3.376 59.207 56.100 -0.449 0.000 0.973 173 R CB -0.083 30.129 30.300 -0.146 0.000 0.869 173 R HN 0.232 8.279 8.270 -0.045 0.196 0.440 174 A N -2.357 120.186 122.820 -0.462 0.000 2.167 174 A HA 0.003 4.027 4.320 -0.493 0.000 0.214 174 A C 2.192 179.341 177.584 -0.725 0.000 1.151 174 A CA 2.431 54.057 52.037 -0.683 0.000 0.735 174 A CB -1.051 17.268 19.000 -1.136 0.000 0.802 174 A HN -0.011 7.790 8.150 -0.398 0.110 0.467 175 S N -1.655 113.717 115.700 -0.546 0.000 2.442 175 S HA -0.305 3.955 4.470 -0.351 0.000 0.236 175 S C 1.363 175.824 174.600 -0.231 0.000 1.007 175 S CA 3.391 61.384 58.200 -0.344 0.000 0.965 175 S CB -0.232 62.847 63.200 -0.202 0.000 0.773 175 S HN 0.014 7.869 8.310 -0.490 0.160 0.504 176 Q N -0.391 119.249 119.800 -0.267 0.000 2.511 176 Q HA 0.170 4.427 4.340 -0.138 0.000 0.236 176 Q C 1.651 177.533 176.000 -0.198 0.000 0.893 176 Q CA 1.132 56.816 55.803 -0.199 0.000 0.947 176 Q CB 1.306 29.919 28.738 -0.208 0.000 1.110 176 Q HN -0.754 7.269 8.270 -0.354 0.035 0.591 177 T N 0.130 114.536 114.554 -0.247 0.000 2.708 177 T HA -0.217 4.048 4.350 -0.141 0.000 0.266 177 T C 0.244 174.844 174.700 -0.167 0.000 1.037 177 T CA 2.952 64.939 62.100 -0.188 0.000 1.146 177 T CB 0.382 69.138 68.868 -0.186 0.000 0.865 177 T HN -0.380 7.670 8.240 -0.317 0.000 0.435 178 E N -0.487 119.560 120.200 -0.255 0.000 2.239 178 E HA 0.175 4.469 4.350 -0.093 0.000 0.261 178 E C -1.492 175.010 176.600 -0.163 0.000 1.016 178 E CA -1.992 54.286 56.400 -0.203 0.000 0.882 178 E CB 1.371 30.878 29.700 -0.321 0.000 1.190 178 E HN -0.663 7.345 8.360 -0.371 0.130 0.415 179 K N 1.062 121.436 120.400 -0.043 0.000 2.351 179 K HA -0.182 4.119 4.320 -0.031 0.000 0.287 179 K C -1.645 174.960 176.600 0.008 0.000 1.068 179 K CA 0.797 57.076 56.287 -0.013 0.000 0.998 179 K CB -0.463 32.043 32.500 0.010 0.000 0.968 179 K HN 0.291 8.550 8.250 0.015 0.000 0.464 180 L N 7.185 128.398 121.223 -0.016 0.000 2.504 180 L HA 0.402 4.991 4.340 0.092 -0.195 0.265 180 L C -1.881 175.040 176.870 0.085 0.000 0.975 180 L CA -0.356 54.510 54.840 0.042 0.000 0.864 180 L CB 2.436 44.484 42.059 -0.019 0.000 1.212 180 L HN -0.204 8.001 8.230 -0.041 0.000 0.416 181 K N 6.316 126.833 120.400 0.195 0.000 2.350 181 K HA 0.528 4.934 4.320 0.144 0.000 0.241 181 K C -2.720 174.062 176.600 0.304 0.000 0.994 181 K CA -3.422 53.015 56.287 0.250 0.000 0.839 181 K CB 1.602 34.287 32.500 0.308 0.000 1.244 181 K HN 0.383 8.770 8.250 0.227 0.000 0.443 182 P HA -0.082 4.483 4.420 0.079 -0.098 0.265 182 P C -1.139 176.122 177.300 -0.065 0.000 1.193 182 P CA 0.242 63.376 63.100 0.056 0.000 0.765 182 P CB 0.270 31.970 31.700 -0.001 0.000 0.823 183 F N 5.835 125.646 119.950 -0.231 0.000 2.557 183 F HA 0.012 4.054 4.527 -0.807 0.000 0.384 183 F C -0.672 174.876 175.800 -0.420 0.000 1.057 183 F CA -2.308 55.432 58.000 -0.434 0.000 1.169 183 F CB 0.849 39.674 39.000 -0.292 0.000 1.070 183 F HN 0.126 8.504 8.300 0.130 0.000 0.554 184 P HA -0.033 4.137 4.420 -0.417 0.000 0.222 184 P C -1.232 175.710 177.300 -0.598 0.000 1.157 184 P CA 0.519 63.221 63.100 -0.663 0.000 0.816 184 P CB 0.592 31.929 31.700 -0.605 0.000 0.813 185 V N 0.873 120.199 119.914 -0.980 0.000 2.470 185 V HA -0.150 3.823 4.120 -0.246 0.000 0.276 185 V C -0.188 175.837 176.094 -0.114 0.000 1.040 185 V CA 0.424 62.438 62.300 -0.478 0.000 1.008 185 V CB 0.388 31.979 31.823 -0.387 0.000 0.990 185 V HN -0.568 6.522 8.190 -1.835 0.000 0.477 186 S N 3.415 119.073 115.700 -0.071 0.000 2.557 186 S HA 0.103 4.643 4.470 0.117 0.000 0.223 186 S C -1.145 173.482 174.600 0.045 0.000 0.969 186 S CA -0.509 57.694 58.200 0.004 0.000 0.927 186 S CB 0.560 63.691 63.200 -0.115 0.000 0.806 186 S HN 0.182 8.389 8.310 -0.173 0.000 0.489 187 H N 2.423 121.620 119.070 0.212 0.000 2.878 187 H HA 0.041 4.643 4.556 0.076 0.000 0.290 187 H C 0.233 175.587 175.328 0.043 0.000 1.065 187 H CA 0.439 56.559 56.048 0.121 0.000 1.477 187 H CB 0.222 30.022 29.762 0.063 0.000 1.484 187 H HN -0.183 8.155 8.280 0.217 0.072 0.504 188 N N 5.035 123.755 118.700 0.034 0.000 2.084 188 N HA -0.172 4.404 4.740 -0.274 0.000 0.190 188 N C -0.482 174.631 175.510 -0.662 0.000 1.030 188 N CA 3.867 56.761 53.050 -0.261 0.000 0.849 188 N CB -1.905 36.544 38.487 -0.063 0.000 1.012 188 N HN 0.567 8.999 8.380 0.087 0.000 0.423 189 P HA 0.360 4.817 4.420 -0.285 -0.208 0.236 189 P C 1.078 178.236 177.300 -0.237 0.000 1.177 189 P CA 1.265 64.214 63.100 -0.251 0.000 0.773 189 P CB -0.040 31.595 31.700 -0.110 0.000 0.878 190 S N 1.122 116.704 115.700 -0.198 0.000 2.338 190 S HA -0.216 4.251 4.470 -0.005 0.000 0.218 190 S C 1.543 176.160 174.600 0.029 0.000 1.032 190 S CA 3.548 61.736 58.200 -0.020 0.000 0.999 190 S CB -0.006 63.286 63.200 0.153 0.000 0.905 190 S HN -0.652 7.379 8.310 -0.185 0.168 0.439 191 F N -1.701 118.356 119.950 0.178 0.000 2.558 191 F HA 0.131 4.742 4.527 0.140 0.000 0.298 191 F C 1.146 176.972 175.800 0.044 0.000 1.119 191 F CA 0.338 58.404 58.000 0.111 0.000 1.451 191 F CB -0.954 38.046 39.000 -0.001 0.000 1.091 191 F HN -0.747 7.351 8.300 -0.336 0.000 0.563 192 E N 2.449 122.448 120.200 -0.335 0.000 2.038 192 E HA -0.555 3.806 4.350 0.019 0.000 0.195 192 E C 1.752 178.355 176.600 0.005 0.000 1.000 192 E CA 4.039 60.361 56.400 -0.131 0.000 0.803 192 E CB -0.162 29.395 29.700 -0.239 0.000 0.750 192 E HN -0.578 7.237 8.360 -0.857 0.031 0.448 193 R N -2.808 117.686 120.500 -0.011 0.000 2.112 193 R HA -0.143 4.219 4.340 0.036 0.000 0.216 193 R C 2.744 179.088 176.300 0.075 0.000 1.080 193 R CA 2.735 58.852 56.100 0.030 0.000 0.996 193 R CB 0.191 30.495 30.300 0.007 0.000 0.902 193 R HN -0.737 7.494 8.270 -0.065 0.000 0.449 194 L N 0.081 121.366 121.223 0.103 0.000 1.976 194 L HA -0.245 4.165 4.340 0.117 0.000 0.209 194 L C 1.032 178.017 176.870 0.191 0.000 1.071 194 L CA 3.384 58.313 54.840 0.148 0.000 0.746 194 L CB 0.048 42.226 42.059 0.198 0.000 0.890 194 L HN -0.136 8.146 8.230 0.086 0.000 0.432 195 L N -4.680 116.683 121.223 0.235 0.000 2.269 195 L HA -0.122 4.473 4.340 0.425 0.000 0.200 195 L C 2.018 179.093 176.870 0.342 0.000 1.069 195 L CA 2.654 57.690 54.840 0.326 0.000 0.804 195 L CB 0.624 42.795 42.059 0.188 0.000 0.987 195 L HN -0.510 7.733 8.230 0.224 0.121 0.468 196 V N 0.066 120.126 119.914 0.244 0.000 2.302 196 V HA -0.579 3.726 4.120 0.309 0.000 0.243 196 V C 1.459 177.703 176.094 0.250 0.000 1.036 196 V CA 5.291 67.740 62.300 0.248 0.000 1.020 196 V CB 0.131 32.056 31.823 0.170 0.000 0.657 196 V HN 0.067 8.384 8.190 0.212 0.000 0.453 197 E N 0.010 120.304 120.200 0.157 0.000 2.005 197 E HA -0.238 4.175 4.350 0.105 0.000 0.191 197 E C 2.056 178.701 176.600 0.075 0.000 0.987 197 E CA 3.253 59.714 56.400 0.103 0.000 0.814 197 E CB 0.107 29.845 29.700 0.063 0.000 0.772 197 E HN -0.066 8.376 8.360 0.137 0.000 0.453 198 T N -0.018 114.577 114.554 0.069 0.000 2.674 198 T HA -0.306 4.047 4.350 0.005 0.000 0.265 198 T C 1.091 175.791 174.700 -0.001 0.000 1.039 198 T CA 3.556 65.673 62.100 0.029 0.000 1.150 198 T CB 0.101 68.993 68.868 0.039 0.000 0.864 198 T HN -0.208 8.084 8.240 0.087 0.000 0.427 199 I N -1.681 118.911 120.570 0.036 0.000 2.368 199 I HA -0.175 3.919 4.170 -0.127 0.000 0.238 199 I C 0.566 176.639 176.117 -0.075 0.000 1.076 199 I CA 1.973 63.234 61.300 -0.066 0.000 1.397 199 I CB 0.276 38.209 38.000 -0.111 0.000 1.141 199 I HN -0.894 7.384 8.210 0.114 0.000 0.430 200 Y N 0.268 120.551 120.300 -0.029 0.000 2.114 200 Y HA -0.338 4.169 4.550 -0.072 0.000 0.284 200 Y C 0.745 176.638 175.900 -0.013 0.000 1.143 200 Y CA 2.707 60.819 58.100 0.020 0.000 1.135 200 Y CB 0.700 39.286 38.460 0.211 0.000 0.980 200 Y HN -0.146 8.328 8.280 0.323 0.000 0.499 201 S N 0.000 115.687 115.700 -0.022 0.000 2.498 201 S HA 0.000 4.306 4.470 -0.274 0.000 0.327 201 S CA 0.000 58.122 58.200 -0.129 0.000 1.107 201 S CB 0.000 63.222 63.200 0.036 0.000 0.593 201 S HN 0.000 8.437 8.310 0.212 0.000 0.517