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 2x9g_1_C DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVQXXXXXXX XGKTVETQVA ELIGTNAIAP FLLTMSFAQR QKGXXXXXXX DATA SEQUENCE SNLSIVNLCD AMVDQPCMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA 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 4.318 4.350 -0.053 0.000 0.291 2 E C 0.000 176.539 176.600 -0.101 0.000 1.382 2 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 2 E CB 0.000 29.678 29.700 -0.036 0.000 0.812 3 A N 3.307 126.049 122.820 -0.129 0.000 2.371 3 A HA 0.242 4.430 4.320 -0.219 0.000 0.257 3 A C -1.809 175.637 177.584 -0.231 0.000 1.089 3 A CA -1.065 50.850 52.037 -0.204 0.000 0.794 3 A CB -0.155 18.712 19.000 -0.222 0.000 1.029 3 A HN 0.227 8.311 8.150 -0.110 0.000 0.488 4 P HA 0.026 4.449 4.420 -0.171 -0.106 0.274 4 P C -1.983 175.210 177.300 -0.178 0.000 1.256 4 P CA -0.487 62.445 63.100 -0.280 0.000 0.795 4 P CB 1.127 32.533 31.700 -0.490 0.000 1.038 5 A N -2.638 120.188 122.820 0.009 0.000 2.401 5 A HA 0.875 5.381 4.320 -0.019 -0.198 0.310 5 A C -2.111 175.592 177.584 0.198 0.000 1.075 5 A CA -1.952 50.112 52.037 0.045 0.000 0.746 5 A CB 3.834 22.825 19.000 -0.015 0.000 1.277 5 A HN 0.181 8.664 8.150 0.024 -0.319 0.425 6 A N 1.117 124.029 122.820 0.153 0.000 2.414 6 A HA 0.999 5.580 4.320 0.092 -0.205 0.306 6 A C -2.144 175.496 177.584 0.094 0.000 1.054 6 A CA -2.007 50.072 52.037 0.071 0.000 0.724 6 A CB 3.741 22.658 19.000 -0.138 0.000 1.267 6 A HN 0.716 8.934 8.150 0.114 0.000 0.418 7 V N 2.285 122.249 119.914 0.084 0.000 2.427 7 V HA 0.348 4.676 4.120 0.123 -0.134 0.286 7 V C -1.454 174.663 176.094 0.038 0.000 1.034 7 V CA -1.155 61.199 62.300 0.090 0.000 0.893 7 V CB 1.527 33.410 31.823 0.099 0.000 0.982 7 V HN 0.214 8.451 8.190 0.078 0.000 0.452 8 V N 7.938 127.890 119.914 0.064 0.000 2.407 8 V HA 0.418 4.693 4.120 0.011 -0.148 0.291 8 V C -0.433 175.727 176.094 0.111 0.000 1.018 8 V CA -2.336 59.992 62.300 0.047 0.000 0.842 8 V CB 1.711 33.554 31.823 0.034 0.000 0.996 8 V HN 0.499 8.749 8.190 0.099 0.000 0.426 9 T N 3.159 117.762 114.554 0.080 0.000 2.910 9 T HA 0.150 4.682 4.350 0.304 0.000 0.293 9 T C 1.232 176.088 174.700 0.260 0.000 1.015 9 T CA -1.207 60.993 62.100 0.166 0.000 1.094 9 T CB 0.768 69.592 68.868 -0.073 0.000 0.968 9 T HN -0.057 8.199 8.240 0.028 0.000 0.521 10 G N 2.919 112.015 108.800 0.494 0.000 2.338 10 G HA2 -0.417 3.668 3.960 0.208 0.000 0.296 10 G HA3 -0.417 3.680 3.960 0.228 0.000 0.296 10 G C -0.233 174.752 174.900 0.142 0.000 1.040 10 G CA 0.895 46.145 45.100 0.249 0.000 1.004 10 G HN 0.315 9.252 8.290 1.079 0.000 0.509 11 A N -2.114 120.787 122.820 0.135 0.000 2.308 11 A HA 0.087 4.349 4.320 0.069 0.099 0.217 11 A C 0.119 177.734 177.584 0.051 0.000 1.216 11 A CA 0.526 52.614 52.037 0.085 0.000 0.864 11 A CB -0.115 18.941 19.000 0.094 0.000 0.902 11 A HN -0.046 8.200 8.150 0.161 0.000 0.499 12 A N -2.818 120.031 122.820 0.048 0.000 2.014 12 A HA -0.204 4.110 4.320 -0.010 0.000 0.218 12 A C -1.133 176.449 177.584 -0.003 0.000 1.163 12 A CA 1.795 53.835 52.037 0.004 0.000 0.652 12 A CB 0.262 19.251 19.000 -0.018 0.000 0.808 12 A HN 0.343 8.477 8.150 0.068 0.057 0.449 13 K N -4.622 115.785 120.400 0.011 0.000 2.444 13 K HA 0.247 4.564 4.320 -0.005 0.000 0.252 13 K C 0.183 176.784 176.600 0.003 0.000 0.993 13 K CA -1.948 54.341 56.287 0.003 0.000 0.847 13 K CB 2.596 35.100 32.500 0.007 0.000 1.340 13 K HN -0.493 7.739 8.250 0.025 0.032 0.446 14 R N -1.386 119.110 120.500 -0.006 0.000 3.910 14 R HA -0.470 3.859 4.340 -0.017 0.000 0.415 14 R C 1.331 177.622 176.300 -0.015 0.000 0.241 14 R CA 2.167 58.259 56.100 -0.014 0.000 1.327 14 R CB -1.554 28.735 30.300 -0.018 0.000 1.012 14 R HN 0.488 8.754 8.270 -0.008 0.000 0.557 15 I N 0.143 120.699 120.570 -0.023 0.000 2.252 15 I HA -0.348 3.807 4.170 -0.024 0.000 0.245 15 I C 1.613 177.724 176.117 -0.011 0.000 1.102 15 I CA 3.483 64.769 61.300 -0.023 0.000 1.385 15 I CB -0.336 37.641 38.000 -0.038 0.000 1.064 15 I HN 0.120 8.313 8.210 -0.029 0.000 0.414 16 G N -1.434 107.367 108.800 0.001 0.000 2.440 16 G HA2 -0.416 3.752 3.960 0.032 0.000 0.218 16 G HA3 -0.416 3.550 3.960 0.009 0.000 0.218 16 G C 0.596 175.504 174.900 0.013 0.000 1.154 16 G CA 2.010 47.119 45.100 0.015 0.000 0.767 16 G HN 0.074 8.366 8.290 0.003 0.000 0.552 17 R N 2.372 122.877 120.500 0.009 0.000 2.073 17 R HA -0.257 4.237 4.340 0.007 -0.150 0.234 17 R C 2.125 178.424 176.300 -0.002 0.000 1.134 17 R CA 3.115 59.217 56.100 0.003 0.000 0.952 17 R CB -0.016 30.281 30.300 -0.004 0.000 0.850 17 R HN -0.480 7.700 8.270 0.009 0.096 0.433 18 A N -1.248 121.569 122.820 -0.005 0.000 1.933 18 A HA -0.235 4.084 4.320 -0.002 0.000 0.218 18 A C 2.154 179.736 177.584 -0.003 0.000 1.175 18 A CA 2.973 55.007 52.037 -0.004 0.000 0.628 18 A CB -0.593 18.402 19.000 -0.008 0.000 0.814 18 A HN -0.579 7.567 8.150 -0.006 0.000 0.444 19 I N -1.165 119.399 120.570 -0.009 0.000 2.179 19 I HA -0.619 3.538 4.170 -0.022 0.000 0.242 19 I C 1.421 177.527 176.117 -0.019 0.000 1.088 19 I CA 4.284 65.572 61.300 -0.020 0.000 1.357 19 I CB -0.125 37.858 38.000 -0.029 0.000 1.051 19 I HN -0.257 7.948 8.210 -0.009 0.000 0.409 20 A N -0.105 122.713 122.820 -0.004 0.000 1.908 20 A HA -0.311 4.011 4.320 0.003 0.000 0.218 20 A C 2.161 179.767 177.584 0.036 0.000 1.181 20 A CA 3.460 55.504 52.037 0.012 0.000 0.627 20 A CB -0.886 18.127 19.000 0.021 0.000 0.818 20 A HN -0.147 8.003 8.150 -0.000 0.000 0.445 21 V N -1.365 118.564 119.914 0.023 0.000 2.295 21 V HA -0.550 3.593 4.120 0.039 0.000 0.246 21 V C 2.100 178.240 176.094 0.077 0.000 1.049 21 V CA 4.566 66.890 62.300 0.040 0.000 1.024 21 V CB -0.908 30.924 31.823 0.015 0.000 0.648 21 V HN 0.016 8.213 8.190 0.011 0.000 0.447 22 K N -0.342 120.085 120.400 0.044 0.000 2.097 22 K HA -0.198 4.314 4.320 0.056 -0.158 0.205 22 K C 2.952 179.585 176.600 0.054 0.000 1.050 22 K CA 3.049 59.363 56.287 0.045 0.000 0.938 22 K CB -0.049 32.464 32.500 0.022 0.000 0.718 22 K HN -0.582 7.684 8.250 0.026 0.000 0.442 23 L N -1.067 120.167 121.223 0.018 0.000 2.012 23 L HA -0.477 3.847 4.340 -0.027 0.000 0.210 23 L C 1.780 178.744 176.870 0.156 0.000 1.073 23 L CA 3.505 58.337 54.840 -0.014 0.000 0.748 23 L CB -0.388 41.543 42.059 -0.213 0.000 0.891 23 L HN -0.032 8.196 8.230 -0.002 0.000 0.431 24 H N 0.105 119.205 119.070 0.050 0.000 2.353 24 H HA -0.200 4.625 4.556 0.073 -0.226 0.300 24 H C 3.322 178.682 175.328 0.052 0.000 1.090 24 H CA 3.754 59.835 56.048 0.055 0.000 1.327 24 H CB 0.307 30.083 29.762 0.024 0.000 1.383 24 H HN -0.317 8.086 8.280 0.204 0.000 0.508 25 Q N -2.397 117.480 119.800 0.127 0.000 2.224 25 Q HA -0.224 4.148 4.340 0.054 0.000 0.203 25 Q C 1.686 177.699 176.000 0.022 0.000 0.970 25 Q CA 2.254 58.095 55.803 0.064 0.000 0.865 25 Q CB 0.052 28.837 28.738 0.080 0.000 0.922 25 Q HN -0.155 8.217 8.270 0.170 0.000 0.445 26 T N -2.561 112.031 114.554 0.062 0.000 3.085 26 T HA -0.104 4.274 4.350 0.047 0.000 0.263 26 T C 0.323 175.029 174.700 0.010 0.000 1.127 26 T CA 1.498 63.645 62.100 0.077 0.000 1.103 26 T CB 0.616 69.590 68.868 0.177 0.000 0.921 26 T HN -0.466 7.701 8.240 0.094 0.130 0.510 27 G N -0.425 108.342 108.800 -0.055 0.000 2.205 27 G HA2 -0.306 3.541 3.960 -0.188 0.000 0.180 27 G HA3 -0.306 3.524 3.960 -0.217 0.000 0.180 27 G C -0.727 174.027 174.900 -0.243 0.000 1.004 27 G CA -0.380 44.611 45.100 -0.182 0.000 0.670 27 G HN -0.589 7.497 8.290 -0.048 0.176 0.496 28 Y N 0.639 120.826 120.300 -0.190 0.000 2.336 28 Y HA -0.091 4.511 4.550 -0.187 -0.165 0.331 28 Y C 0.506 176.252 175.900 -0.257 0.000 1.211 28 Y CA 1.279 59.267 58.100 -0.186 0.000 1.346 28 Y CB 0.678 39.073 38.460 -0.109 0.000 1.271 28 Y HN -0.634 7.769 8.280 0.206 0.000 0.538 29 R N 0.308 120.675 120.500 -0.221 0.000 2.490 29 R HA 0.396 4.699 4.340 -0.292 -0.138 0.278 29 R C -0.929 175.195 176.300 -0.293 0.000 1.069 29 R CA 0.153 55.955 56.100 -0.496 0.000 1.080 29 R CB 1.134 30.617 30.300 -1.362 0.000 1.030 29 R HN 0.275 8.389 8.270 -0.260 0.000 0.491 30 V N -2.649 117.221 119.914 -0.073 0.000 2.709 30 V HA 0.960 5.359 4.120 0.123 -0.206 0.308 30 V C -1.980 174.320 176.094 0.345 0.000 1.062 30 V CA -2.910 59.479 62.300 0.148 0.000 0.901 30 V CB 3.229 35.134 31.823 0.137 0.000 1.003 30 V HN 0.389 8.549 8.190 -0.051 0.000 0.425 31 V N 5.155 125.259 119.914 0.316 0.000 2.364 31 V HA 0.253 4.709 4.120 0.271 -0.173 0.272 31 V C -0.787 175.422 176.094 0.193 0.000 1.036 31 V CA -1.332 61.123 62.300 0.259 0.000 0.880 31 V CB 0.025 31.980 31.823 0.220 0.000 0.991 31 V HN 0.483 8.835 8.190 0.270 0.000 0.460 32 I N 8.123 128.803 120.570 0.184 0.000 2.282 32 I HA 0.061 4.323 4.170 0.153 0.000 0.290 32 I C -1.454 174.801 176.117 0.230 0.000 1.090 32 I CA -0.715 60.687 61.300 0.170 0.000 1.231 32 I CB -0.593 37.479 38.000 0.120 0.000 1.434 32 I HN 0.605 8.927 8.210 0.187 0.000 0.487 33 H N 9.586 128.744 119.070 0.147 0.000 2.562 33 H HA 0.720 5.578 4.556 0.109 -0.236 0.352 33 H C -1.581 173.873 175.328 0.210 0.000 1.125 33 H CA -1.393 54.728 56.048 0.122 0.000 1.379 33 H CB 2.555 32.343 29.762 0.043 0.000 1.464 33 H HN -0.185 8.261 8.280 0.276 0.000 0.563 34 Y N 0.498 120.214 120.300 -0.973 0.000 2.625 34 Y HA 0.367 4.601 4.550 -0.527 0.000 0.338 34 Y C -2.010 173.581 175.900 -0.514 0.000 1.123 34 Y CA -1.763 55.970 58.100 -0.612 0.000 1.046 34 Y CB 1.630 39.957 38.460 -0.223 0.000 1.299 34 Y HN 0.222 7.822 8.280 -1.133 0.000 0.464 35 H N 1.393 120.344 119.070 -0.199 0.000 2.329 35 H HA 0.093 4.538 4.556 -0.184 0.000 0.285 35 H C -0.376 175.005 175.328 0.087 0.000 1.062 35 H CA 0.458 56.459 56.048 -0.079 0.000 1.511 35 H CB 1.697 31.484 29.762 0.042 0.000 1.471 35 H HN 0.279 8.630 8.280 0.118 0.000 0.613 36 N N -0.960 117.682 118.700 -0.098 0.000 2.356 36 N HA 0.038 4.686 4.740 -0.152 0.000 0.178 36 N C 0.022 175.552 175.510 0.034 0.000 1.075 36 N CA 0.917 53.895 53.050 -0.120 0.000 0.889 36 N CB 0.650 39.016 38.487 -0.203 0.000 0.999 36 N HN -0.023 8.349 8.380 -0.013 0.000 0.464 37 S N 1.588 117.343 115.700 0.091 0.000 3.548 37 S HA 0.328 4.771 4.470 -0.044 0.000 0.195 37 S C -0.434 174.027 174.600 -0.232 0.000 1.432 37 S CA -0.680 57.503 58.200 -0.029 0.000 1.087 37 S CB -1.558 61.635 63.200 -0.011 0.000 1.337 37 S HN -0.167 8.242 8.310 0.165 0.000 0.505 38 A N 3.471 126.120 122.820 -0.283 0.000 1.877 38 A HA -0.317 3.114 4.320 -1.481 0.000 0.216 38 A C 1.109 178.437 177.584 -0.426 0.000 1.186 38 A CA 3.421 55.070 52.037 -0.646 0.000 0.620 38 A CB -0.305 18.551 19.000 -0.240 0.000 0.822 38 A HN -0.321 7.702 8.150 -0.105 0.063 0.443 39 E N -0.775 119.291 120.200 -0.224 0.000 2.058 39 E HA -0.334 3.927 4.350 -0.148 0.000 0.194 39 E C 1.667 178.172 176.600 -0.159 0.000 0.997 39 E CA 2.956 59.263 56.400 -0.155 0.000 0.801 39 E CB -0.294 29.349 29.700 -0.095 0.000 0.746 39 E HN 0.312 8.565 8.360 -0.178 0.000 0.450 40 A N -1.845 120.883 122.820 -0.154 0.000 1.929 40 A HA 0.009 4.272 4.320 -0.095 0.000 0.216 40 A C 2.092 179.587 177.584 -0.148 0.000 1.176 40 A CA 2.408 54.373 52.037 -0.119 0.000 0.628 40 A CB -0.690 18.260 19.000 -0.084 0.000 0.816 40 A HN 0.093 8.150 8.150 -0.154 0.000 0.444 41 A N -1.019 121.651 122.820 -0.251 0.000 1.877 41 A HA -0.374 3.862 4.320 -0.140 0.000 0.216 41 A C 1.709 179.181 177.584 -0.187 0.000 1.186 41 A CA 3.126 55.014 52.037 -0.249 0.000 0.620 41 A CB -0.527 18.163 19.000 -0.516 0.000 0.822 41 A HN -0.312 7.644 8.150 -0.323 0.000 0.443 42 V N -2.436 117.343 119.914 -0.226 0.000 2.427 42 V HA -0.451 3.606 4.120 -0.105 0.000 0.248 42 V C 1.729 177.768 176.094 -0.091 0.000 1.051 42 V CA 3.943 66.163 62.300 -0.134 0.000 1.048 42 V CB -1.309 30.437 31.823 -0.128 0.000 0.666 42 V HN -0.133 7.877 8.190 -0.299 0.000 0.456 43 S N 1.065 116.709 115.700 -0.094 0.000 2.382 43 S HA -0.229 4.206 4.470 -0.058 0.000 0.228 43 S C 2.266 176.829 174.600 -0.062 0.000 1.027 43 S CA 3.360 61.520 58.200 -0.067 0.000 0.991 43 S CB -0.517 62.644 63.200 -0.064 0.000 0.823 43 S HN -0.270 7.972 8.310 -0.113 0.000 0.469 44 L N 2.057 123.239 121.223 -0.068 0.000 2.017 44 L HA -0.282 4.019 4.340 -0.064 0.000 0.208 44 L C 0.804 177.630 176.870 -0.073 0.000 1.073 44 L CA 3.007 57.808 54.840 -0.065 0.000 0.745 44 L CB -0.429 41.597 42.059 -0.054 0.000 0.894 44 L HN -0.419 7.766 8.230 -0.077 0.000 0.432 45 A N -1.427 121.359 122.820 -0.056 0.000 1.902 45 A HA -0.441 3.850 4.320 -0.048 0.000 0.217 45 A C 1.649 179.206 177.584 -0.045 0.000 1.181 45 A CA 3.384 55.397 52.037 -0.040 0.000 0.623 45 A CB -0.935 18.062 19.000 -0.005 0.000 0.818 45 A HN -0.071 8.045 8.150 -0.057 0.000 0.443 46 D N -1.797 118.579 120.400 -0.041 0.000 2.123 46 D HA -0.360 4.268 4.640 -0.019 0.000 0.196 46 D C 2.257 178.534 176.300 -0.039 0.000 0.992 46 D CA 3.614 57.595 54.000 -0.031 0.000 0.833 46 D CB -0.697 40.086 40.800 -0.029 0.000 0.954 46 D HN -0.058 8.285 8.370 -0.045 0.000 0.455 47 E N 0.589 120.756 120.200 -0.056 0.000 2.051 47 E HA -0.350 3.976 4.350 -0.040 0.000 0.192 47 E C 2.458 179.002 176.600 -0.092 0.000 0.991 47 E CA 3.004 59.368 56.400 -0.060 0.000 0.799 47 E CB -0.063 29.601 29.700 -0.060 0.000 0.748 47 E HN -0.705 7.620 8.360 -0.058 0.000 0.449 48 L N -1.511 119.605 121.223 -0.179 0.000 2.072 48 L HA -0.345 3.754 4.340 -0.403 0.000 0.205 48 L C 2.372 179.151 176.870 -0.152 0.000 1.079 48 L CA 2.912 57.518 54.840 -0.390 0.000 0.752 48 L CB -0.338 41.270 42.059 -0.751 0.000 0.906 48 L HN -0.181 7.952 8.230 -0.163 0.000 0.436 49 N N -0.933 117.736 118.700 -0.051 0.000 2.309 49 N HA -0.144 4.860 4.740 0.082 -0.215 0.182 49 N C 2.560 178.093 175.510 0.038 0.000 1.018 49 N CA 2.281 55.353 53.050 0.036 0.000 0.876 49 N CB -0.430 38.080 38.487 0.039 0.000 0.972 49 N HN 0.132 8.471 8.380 -0.068 0.000 0.434 50 K N -0.380 120.028 120.400 0.014 0.000 2.097 50 K HA -0.176 4.157 4.320 0.021 0.000 0.205 50 K C 2.048 178.670 176.600 0.037 0.000 1.050 50 K CA 1.786 58.085 56.287 0.019 0.000 0.938 50 K CB -0.261 32.242 32.500 0.005 0.000 0.718 50 K HN -0.492 7.730 8.250 -0.006 0.025 0.442 51 E N -2.114 118.119 120.200 0.055 0.000 2.046 51 E HA -0.156 4.233 4.350 0.066 0.000 0.190 51 E C 0.738 177.402 176.600 0.106 0.000 0.982 51 E CA 1.762 58.217 56.400 0.093 0.000 0.800 51 E CB 0.901 30.695 29.700 0.157 0.000 0.756 51 E HN -0.684 7.598 8.360 0.039 0.102 0.449 52 R N -2.235 118.353 120.500 0.147 0.000 2.502 52 R HA 0.374 4.755 4.340 0.069 0.000 0.298 52 R C -1.789 174.576 176.300 0.109 0.000 1.018 52 R CA -1.443 54.721 56.100 0.107 0.000 0.899 52 R CB 2.912 33.255 30.300 0.073 0.000 1.181 52 R HN -0.438 7.944 8.270 0.187 0.000 0.444 53 S N 2.915 118.659 115.700 0.074 0.000 2.560 53 S HA -0.058 4.584 4.470 0.074 -0.128 0.284 53 S C 0.213 174.872 174.600 0.097 0.000 1.327 53 S CA 0.437 58.681 58.200 0.074 0.000 1.055 53 S CB 0.026 63.258 63.200 0.053 0.000 0.868 53 S HN 0.159 8.504 8.310 0.058 0.000 0.506 54 N N -0.682 118.086 118.700 0.114 0.000 2.740 54 N HA -0.263 4.573 4.740 0.160 0.000 0.248 54 N C -0.504 175.154 175.510 0.247 0.000 1.062 54 N CA 1.411 54.558 53.050 0.161 0.000 0.704 54 N CB -1.426 37.140 38.487 0.131 0.000 0.968 54 N HN 0.264 8.745 8.380 0.100 -0.041 0.547 55 T N -8.970 105.720 114.554 0.228 0.000 3.040 55 T HA 0.116 4.525 4.350 0.098 0.000 0.266 55 T C -1.974 172.875 174.700 0.249 0.000 1.005 55 T CA -0.502 61.706 62.100 0.181 0.000 0.906 55 T CB 1.418 70.385 68.868 0.164 0.000 1.082 55 T HN -0.119 8.487 8.240 0.202 -0.245 0.531 56 A N 1.418 124.424 122.820 0.310 0.000 2.427 56 A HA 0.953 5.708 4.320 0.365 -0.217 0.298 56 A C -1.783 175.960 177.584 0.266 0.000 1.036 56 A CA -0.912 51.296 52.037 0.285 0.000 0.701 56 A CB 2.954 22.003 19.000 0.082 0.000 1.250 56 A HN -0.499 8.041 8.150 0.272 -0.226 0.412 57 V N -1.737 118.340 119.914 0.272 0.000 3.102 57 V HA 0.634 4.817 4.120 0.105 0.000 0.312 57 V C -2.035 174.142 176.094 0.138 0.000 1.135 57 V CA -2.843 59.537 62.300 0.135 0.000 1.022 57 V CB 3.684 35.515 31.823 0.013 0.000 1.056 57 V HN 0.539 8.940 8.190 0.351 0.000 0.436 58 V N -2.451 117.540 119.914 0.127 0.000 2.850 58 V HA 0.820 5.244 4.120 0.212 -0.177 0.315 58 V C -1.478 174.740 176.094 0.207 0.000 1.064 58 V CA -3.043 59.381 62.300 0.206 0.000 0.979 58 V CB 1.907 33.868 31.823 0.230 0.000 1.039 58 V HN 0.110 8.362 8.190 0.103 0.000 0.452 59 C N 3.445 122.876 119.300 0.220 0.000 2.607 59 C HA 0.272 4.764 4.460 0.054 0.000 0.350 59 C C -1.756 173.088 174.990 -0.243 0.000 1.101 59 C CA -0.603 58.451 59.018 0.059 0.000 1.282 59 C CB 2.588 30.389 27.740 0.101 0.000 1.825 59 C HN 0.104 8.511 8.230 0.296 0.000 0.460 60 Q N 7.772 127.323 119.800 -0.416 0.000 2.257 60 Q HA 0.823 4.560 4.340 -1.374 -0.222 0.255 60 Q C -1.803 174.066 176.000 -0.217 0.000 0.920 60 Q CA -0.655 54.692 55.803 -0.761 0.000 0.927 60 Q CB 1.892 30.268 28.738 -0.603 0.000 1.229 60 Q HN 0.215 8.358 8.270 -0.212 0.000 0.433 61 A N 5.845 128.617 122.820 -0.080 0.000 2.582 61 A HA 0.178 4.516 4.320 0.030 0.000 0.297 61 A C -2.708 174.951 177.584 0.126 0.000 1.059 61 A CA -0.282 51.805 52.037 0.084 0.000 0.705 61 A CB 3.133 22.188 19.000 0.091 0.000 1.279 61 A HN 0.495 8.521 8.150 -0.206 0.000 0.404 62 D N 0.493 120.882 120.400 -0.019 0.000 2.351 62 D HA -0.025 4.178 4.640 -0.729 0.000 0.251 62 D C 0.089 176.289 176.300 -0.166 0.000 1.137 62 D CA 0.146 53.957 54.000 -0.315 0.000 0.879 62 D CB 0.638 41.304 40.800 -0.224 0.000 1.181 62 D HN 0.201 8.583 8.370 0.020 0.000 0.448 63 L N 4.145 125.255 121.223 -0.188 0.000 2.769 63 L HA 0.257 4.544 4.340 -0.089 0.000 0.240 63 L C 0.109 176.938 176.870 -0.068 0.000 1.163 63 L CA -1.382 53.396 54.840 -0.102 0.000 0.962 63 L CB 0.133 42.135 42.059 -0.095 0.000 1.258 63 L HN 0.229 8.293 8.230 -0.278 0.000 0.513 64 T N 1.457 115.963 114.554 -0.080 0.000 2.940 64 T HA -0.285 4.168 4.350 -0.007 -0.106 0.309 64 T C -0.137 174.556 174.700 -0.011 0.000 1.056 64 T CA 2.118 64.202 62.100 -0.026 0.000 1.137 64 T CB 0.438 69.297 68.868 -0.015 0.000 0.976 64 T HN -0.676 7.701 8.240 -0.136 -0.219 0.547 65 N N 6.017 124.721 118.700 0.006 0.000 2.458 65 N HA -0.156 4.591 4.740 0.011 0.000 0.258 65 N C -0.788 174.729 175.510 0.011 0.000 1.219 65 N CA 1.296 54.352 53.050 0.011 0.000 0.902 65 N CB 0.860 39.355 38.487 0.013 0.000 1.076 65 N HN 0.017 8.404 8.380 0.011 0.000 0.455 66 S N 2.771 118.479 115.700 0.012 0.000 2.656 66 S HA 0.138 4.616 4.470 0.013 0.000 0.265 66 S C 0.204 174.812 174.600 0.013 0.000 1.132 66 S CA -0.288 57.919 58.200 0.012 0.000 0.819 66 S CB 1.695 64.901 63.200 0.011 0.000 1.119 66 S HN -0.208 8.110 8.310 0.014 0.000 0.476 67 N N 1.010 119.717 118.700 0.012 0.000 2.289 67 N HA -0.175 4.573 4.740 0.014 0.000 0.184 67 N C 0.992 176.508 175.510 0.011 0.000 1.016 67 N CA 2.555 55.612 53.050 0.012 0.000 0.872 67 N CB -0.853 37.641 38.487 0.010 0.000 0.973 67 N HN 0.458 8.846 8.380 0.012 0.000 0.433 68 V N -5.379 114.541 119.914 0.009 0.000 3.647 68 V HA 0.262 4.386 4.120 0.006 0.000 0.279 68 V C 0.611 176.707 176.094 0.003 0.000 1.314 68 V CA -0.436 61.867 62.300 0.006 0.000 1.125 68 V CB 0.339 32.166 31.823 0.006 0.000 0.907 68 V HN -0.522 7.635 8.190 0.009 0.038 0.434 69 L N 2.643 123.869 121.223 0.005 0.000 2.042 69 L HA -0.101 4.234 4.340 -0.008 0.000 0.210 69 L C -1.426 175.445 176.870 0.002 0.000 1.076 69 L CA 4.696 59.536 54.840 0.001 0.000 0.749 69 L CB -2.635 39.428 42.059 0.007 0.000 0.893 69 L HN -0.723 7.354 8.230 0.008 0.158 0.432 70 P HA -0.314 4.106 4.420 0.001 0.000 0.215 70 P C 1.053 178.347 177.300 -0.010 0.000 1.153 70 P CA 3.378 66.479 63.100 0.003 0.000 0.853 70 P CB -1.019 30.689 31.700 0.013 0.000 0.788 71 A N -3.505 119.311 122.820 -0.007 0.000 1.902 71 A HA -0.224 4.088 4.320 -0.013 0.000 0.217 71 A C 2.512 180.090 177.584 -0.010 0.000 1.181 71 A CA 2.858 54.889 52.037 -0.009 0.000 0.623 71 A CB -1.007 17.990 19.000 -0.006 0.000 0.818 71 A HN -0.333 7.816 8.150 -0.002 0.000 0.443 72 S N -0.616 115.078 115.700 -0.010 0.000 2.368 72 S HA -0.367 4.098 4.470 -0.008 0.000 0.225 72 S C 1.750 176.337 174.600 -0.021 0.000 1.030 72 S CA 4.477 62.669 58.200 -0.013 0.000 0.999 72 S CB -0.431 62.759 63.200 -0.017 0.000 0.844 72 S HN -0.344 7.961 8.310 -0.009 0.000 0.459 73 C N 2.054 121.337 119.300 -0.029 0.000 2.457 73 C HA -0.247 4.182 4.460 -0.051 0.000 0.278 73 C C 1.300 176.280 174.990 -0.017 0.000 1.309 73 C CA 3.775 62.770 59.018 -0.037 0.000 1.735 73 C CB -1.778 25.936 27.740 -0.043 0.000 1.992 73 C HN 0.031 8.246 8.230 -0.025 0.000 0.493 74 E N 0.617 120.806 120.200 -0.017 0.000 2.085 74 E HA -0.465 3.879 4.350 -0.010 0.000 0.194 74 E C 1.744 178.348 176.600 0.007 0.000 0.994 74 E CA 3.516 59.909 56.400 -0.012 0.000 0.801 74 E CB -0.133 29.552 29.700 -0.026 0.000 0.743 74 E HN -0.225 8.122 8.360 -0.022 0.000 0.453 75 E N -0.622 119.580 120.200 0.005 0.000 2.152 75 E HA -0.199 4.160 4.350 0.016 0.000 0.192 75 E C 2.297 178.917 176.600 0.033 0.000 0.983 75 E CA 2.009 58.418 56.400 0.015 0.000 0.818 75 E CB -0.654 29.050 29.700 0.008 0.000 0.758 75 E HN -0.543 7.804 8.360 -0.003 0.012 0.467 76 I N 0.340 120.927 120.570 0.028 0.000 2.127 76 I HA -0.437 3.766 4.170 0.055 0.000 0.241 76 I C 2.084 178.253 176.117 0.086 0.000 1.075 76 I CA 4.115 65.443 61.300 0.046 0.000 1.334 76 I CB -0.011 37.990 38.000 0.002 0.000 1.040 76 I HN -0.454 7.763 8.210 0.012 0.000 0.405 77 I N -1.563 119.069 120.570 0.104 0.000 2.226 77 I HA -0.443 3.850 4.170 0.205 0.000 0.245 77 I C 2.161 178.432 176.117 0.258 0.000 1.100 77 I CA 1.215 62.630 61.300 0.191 0.000 1.374 77 I CB -1.563 36.557 38.000 0.199 0.000 1.057 77 I HN -0.612 7.644 8.210 0.076 0.000 0.413 78 N N -0.153 118.644 118.700 0.160 0.000 2.149 78 N HA -0.373 4.494 4.740 0.211 0.000 0.188 78 N C 2.236 177.830 175.510 0.141 0.000 1.019 78 N CA 3.247 56.387 53.050 0.150 0.000 0.857 78 N CB 0.073 38.589 38.487 0.048 0.000 0.997 78 N HN 0.015 8.458 8.380 0.104 0.000 0.426 79 S N -0.853 114.899 115.700 0.086 0.000 2.400 79 S HA -0.264 4.210 4.470 0.007 0.000 0.232 79 S C 1.838 176.430 174.600 -0.012 0.000 1.025 79 S CA 3.551 61.768 58.200 0.028 0.000 0.993 79 S CB -1.125 62.092 63.200 0.028 0.000 0.808 79 S HN 0.046 8.305 8.310 0.083 0.101 0.478 80 C N 3.092 122.423 119.300 0.052 0.000 2.453 80 C HA -0.335 4.129 4.460 0.005 0.000 0.277 80 C C 1.500 176.457 174.990 -0.054 0.000 1.262 80 C CA 3.703 62.734 59.018 0.021 0.000 1.718 80 C CB -2.304 25.472 27.740 0.060 0.000 2.031 80 C HN -0.665 7.610 8.230 0.103 0.017 0.480 81 F N -0.673 119.288 119.950 0.019 0.000 2.134 81 F HA -0.414 4.136 4.527 0.039 0.000 0.299 81 F C 2.652 178.431 175.800 -0.035 0.000 1.097 81 F CA 4.341 62.344 58.000 0.006 0.000 1.264 81 F CB -0.377 38.613 39.000 -0.016 0.000 1.001 81 F HN -0.643 7.815 8.300 0.263 0.000 0.479 82 R N -1.174 119.386 120.500 0.101 0.000 2.073 82 R HA -0.397 3.964 4.340 0.035 0.000 0.234 82 R C 1.739 177.974 176.300 -0.108 0.000 1.134 82 R CA 2.934 59.036 56.100 0.002 0.000 0.952 82 R CB -0.352 29.937 30.300 -0.019 0.000 0.850 82 R HN 0.201 8.545 8.270 0.123 0.000 0.433 83 A N -2.601 120.036 122.820 -0.305 0.000 1.898 83 A HA -0.113 3.958 4.320 -0.415 0.000 0.216 83 A C 0.942 178.224 177.584 -0.503 0.000 1.181 83 A CA 2.498 54.156 52.037 -0.632 0.000 0.620 83 A CB 0.462 18.638 19.000 -1.374 0.000 0.819 83 A HN -0.379 7.594 8.150 -0.295 0.000 0.442 84 F N -5.787 114.164 119.950 0.002 0.000 2.817 84 F HA 0.156 4.680 4.527 -0.006 0.000 0.333 84 F C 0.762 176.541 175.800 -0.036 0.000 1.085 84 F CA -0.026 57.961 58.000 -0.022 0.000 1.170 84 F CB 2.015 40.989 39.000 -0.043 0.000 1.066 84 F HN -0.441 7.742 8.300 -0.196 0.000 0.564 85 G N -0.819 108.051 108.800 0.116 0.000 2.162 85 G HA2 -0.393 3.636 3.960 0.115 0.000 0.260 85 G HA3 -0.393 3.767 3.960 0.178 -0.093 0.260 85 G C -1.329 173.619 174.900 0.081 0.000 0.976 85 G CA 0.214 45.389 45.100 0.126 0.000 0.655 85 G HN -0.016 8.217 8.290 0.085 0.108 0.533 86 R N -4.965 115.412 120.500 -0.204 0.000 2.741 86 R HA 0.221 4.283 4.340 -0.463 0.000 0.276 86 R C -2.682 173.116 176.300 -0.836 0.000 1.028 86 R CA -1.025 54.801 56.100 -0.457 0.000 0.865 86 R CB 1.871 32.090 30.300 -0.135 0.000 1.268 86 R HN -0.892 7.202 8.270 -0.201 0.056 0.475 87 C N 1.856 120.675 119.300 -0.802 0.000 2.892 87 C HA 0.397 4.718 4.460 -0.231 0.000 0.360 87 C C -1.335 173.599 174.990 -0.094 0.000 1.054 87 C CA -0.146 58.615 59.018 -0.429 0.000 1.326 87 C CB -0.136 27.284 27.740 -0.534 0.000 1.806 87 C HN 0.625 8.465 8.230 -0.649 0.000 0.490 88 D N 6.083 126.547 120.400 0.106 0.000 2.277 88 D HA 0.084 4.831 4.640 0.179 0.000 0.209 88 D C -1.353 175.191 176.300 0.407 0.000 0.970 88 D CA 2.110 56.248 54.000 0.230 0.000 0.874 88 D CB 1.381 42.295 40.800 0.191 0.000 0.982 88 D HN 0.378 8.806 8.370 0.097 0.000 0.504 89 V N -2.887 117.226 119.914 0.330 0.000 2.760 89 V HA 0.919 5.322 4.120 0.034 -0.262 0.309 89 V C -2.320 173.774 176.094 -0.000 0.000 1.077 89 V CA -2.072 60.283 62.300 0.093 0.000 0.910 89 V CB 3.853 35.641 31.823 -0.059 0.000 1.008 89 V HN -0.638 7.734 8.190 0.303 0.000 0.424 90 L N 7.958 129.014 121.223 -0.279 0.000 2.356 90 L HA 0.642 5.048 4.340 -0.118 -0.136 0.277 90 L C -2.459 174.282 176.870 -0.215 0.000 0.996 90 L CA -1.458 53.226 54.840 -0.261 0.000 0.822 90 L CB 3.475 45.248 42.059 -0.476 0.000 1.256 90 L HN 0.064 8.045 8.230 -0.415 0.000 0.413 91 V N 7.468 127.303 119.914 -0.132 0.000 2.350 91 V HA 0.494 4.753 4.120 -0.123 -0.213 0.285 91 V C -1.518 174.529 176.094 -0.077 0.000 1.014 91 V CA -1.362 60.874 62.300 -0.106 0.000 0.831 91 V CB 1.203 32.973 31.823 -0.088 0.000 1.000 91 V HN 0.830 8.961 8.190 -0.098 0.000 0.433 92 N N 8.318 126.969 118.700 -0.082 0.000 2.555 92 N HA 0.244 4.948 4.740 -0.061 0.000 0.244 92 N C -1.088 174.399 175.510 -0.037 0.000 1.114 92 N CA 0.062 53.075 53.050 -0.062 0.000 0.963 92 N CB -0.409 38.038 38.487 -0.066 0.000 1.276 92 N HN 0.017 8.340 8.380 -0.096 0.000 0.510 93 N N 4.624 123.315 118.700 -0.014 0.000 2.510 93 N HA 0.025 4.761 4.740 -0.008 0.000 0.186 93 N C 0.065 175.595 175.510 0.032 0.000 1.051 93 N CA 0.146 53.199 53.050 0.005 0.000 0.877 93 N CB 1.442 39.935 38.487 0.011 0.000 1.183 93 N HN 0.060 8.434 8.380 -0.010 0.000 0.443 94 A N -0.165 122.689 122.820 0.057 0.000 2.531 94 A HA -0.131 4.258 4.320 0.115 0.000 0.236 94 A C -1.972 175.661 177.584 0.081 0.000 1.062 94 A CA 1.330 53.426 52.037 0.097 0.000 0.760 94 A CB 0.337 19.419 19.000 0.137 0.000 0.995 94 A HN -0.372 7.806 8.150 0.047 0.000 0.501 95 S N 0.369 116.135 115.700 0.110 0.000 2.605 95 S HA 0.011 4.554 4.470 0.121 0.000 0.279 95 S C -1.084 173.623 174.600 0.179 0.000 1.166 95 S CA 0.080 58.361 58.200 0.135 0.000 0.975 95 S CB 1.813 65.095 63.200 0.138 0.000 1.111 95 S HN -0.154 8.231 8.310 0.124 0.000 0.465 96 A N 7.212 130.142 122.820 0.184 0.000 2.354 96 A HA 0.314 4.783 4.320 0.250 0.000 0.269 96 A C -2.060 175.665 177.584 0.235 0.000 1.109 96 A CA 0.161 52.321 52.037 0.204 0.000 0.800 96 A CB 1.280 20.373 19.000 0.155 0.000 1.045 96 A HN 0.169 8.409 8.150 0.151 0.000 0.489 97 F N 2.356 122.312 119.950 0.011 0.000 2.787 97 F HA 0.125 4.575 4.527 -0.128 0.000 0.340 97 F C -2.607 173.242 175.800 0.081 0.000 1.232 97 F CA -0.241 57.718 58.000 -0.069 0.000 1.051 97 F CB 1.996 40.918 39.000 -0.130 0.000 1.330 97 F HN -0.116 8.375 8.300 0.319 0.000 0.522 98 Y N 2.026 122.127 120.300 -0.332 0.000 2.687 98 Y HA 0.232 4.463 4.550 -0.531 0.000 0.338 98 Y C -3.410 171.997 175.900 -0.821 0.000 1.189 98 Y CA -4.159 53.661 58.100 -0.466 0.000 1.097 98 Y CB 0.017 38.348 38.460 -0.216 0.000 1.342 98 Y HN -0.506 7.407 8.280 -0.611 0.000 0.461 99 P HA 0.045 3.504 4.420 -1.733 -0.079 0.274 99 P C -1.289 175.798 177.300 -0.356 0.000 1.231 99 P CA -0.098 62.339 63.100 -1.105 0.000 0.790 99 P CB 1.028 32.206 31.700 -0.870 0.000 0.951 100 T N -1.287 113.096 114.554 -0.285 0.000 3.305 100 T HA 0.340 4.658 4.350 -0.053 0.000 0.348 100 T C -1.879 172.775 174.700 -0.077 0.000 1.394 100 T CA -2.801 59.242 62.100 -0.095 0.000 1.549 100 T CB -0.527 68.319 68.868 -0.036 0.000 0.962 100 T HN 0.403 8.417 8.240 -0.377 0.000 0.609 101 P HA 0.054 4.453 4.420 -0.035 0.000 0.266 101 P C 0.356 177.645 177.300 -0.017 0.000 1.195 101 P CA -0.171 62.906 63.100 -0.040 0.000 0.768 101 P CB 0.659 32.338 31.700 -0.036 0.000 0.838 102 L N 0.193 121.414 121.223 -0.004 0.000 2.240 102 L HA -0.067 4.274 4.340 0.001 0.000 0.211 102 L C 0.506 177.376 176.870 0.000 0.000 1.106 102 L CA 0.884 55.725 54.840 0.002 0.000 0.793 102 L CB 0.280 42.344 42.059 0.009 0.000 0.927 102 L HN 0.141 8.372 8.230 0.001 0.000 0.446 103 V N -1.961 117.953 119.914 -0.001 0.000 2.769 103 V HA 0.165 4.284 4.120 -0.001 0.000 0.312 103 V C -1.183 174.908 176.094 -0.004 0.000 1.061 103 V CA -0.567 61.733 62.300 -0.001 0.000 0.931 103 V CB 1.494 33.318 31.823 0.002 0.000 1.010 103 V HN -0.574 7.616 8.190 -0.000 0.000 0.433 114 K N 2.659 123.016 120.400 -0.072 0.000 2.144 114 K HA 0.232 4.532 4.320 -0.032 0.000 0.270 114 K C -0.319 176.270 176.600 -0.019 0.000 1.005 114 K CA -0.730 55.531 56.287 -0.044 0.000 0.932 114 K CB 0.764 33.227 32.500 -0.062 0.000 1.021 114 K HN -0.302 7.888 8.250 -0.100 0.000 0.462 115 T N -0.659 113.894 114.554 -0.002 0.000 2.856 115 T HA -0.099 4.251 4.350 0.001 0.000 0.306 115 T C 1.370 176.083 174.700 0.020 0.000 1.062 115 T CA -0.717 61.387 62.100 0.006 0.000 1.083 115 T CB 1.068 69.941 68.868 0.008 0.000 0.984 115 T HN 0.058 8.298 8.240 -0.000 0.000 0.542 116 V N 3.545 123.470 119.914 0.019 0.000 2.392 116 V HA -0.295 4.053 4.120 0.039 -0.204 0.249 116 V C 1.202 177.316 176.094 0.034 0.000 1.059 116 V CA 3.226 65.543 62.300 0.028 0.000 1.051 116 V CB 0.003 31.836 31.823 0.017 0.000 0.658 116 V HN 0.434 8.631 8.190 0.012 0.000 0.455 117 E N -2.336 117.879 120.200 0.025 0.000 2.150 117 E HA -0.197 4.167 4.350 0.023 0.000 0.193 117 E C 2.653 179.275 176.600 0.037 0.000 0.985 117 E CA 3.577 59.992 56.400 0.025 0.000 0.814 117 E CB -0.597 29.114 29.700 0.017 0.000 0.752 117 E HN 0.426 8.783 8.360 0.020 0.014 0.466 118 T N 2.908 117.488 114.554 0.043 0.000 2.746 118 T HA -0.373 4.008 4.350 0.052 0.000 0.267 118 T C 1.683 176.442 174.700 0.099 0.000 1.039 118 T CA 5.223 67.358 62.100 0.059 0.000 1.142 118 T CB -0.459 68.438 68.868 0.048 0.000 0.866 118 T HN -0.445 7.816 8.240 0.036 0.000 0.444 119 Q N 2.029 121.900 119.800 0.119 0.000 2.084 119 Q HA -0.263 4.266 4.340 0.315 0.000 0.202 119 Q C 2.603 178.664 176.000 0.102 0.000 0.978 119 Q CA 3.057 58.977 55.803 0.195 0.000 0.844 119 Q CB -0.013 28.853 28.738 0.213 0.000 0.898 119 Q HN -0.516 7.810 8.270 0.093 0.000 0.426 120 V N -0.069 119.881 119.914 0.060 0.000 2.255 120 V HA -0.494 3.638 4.120 0.020 0.000 0.247 120 V C 1.897 178.009 176.094 0.030 0.000 1.051 120 V CA 3.769 66.087 62.300 0.030 0.000 1.018 120 V CB -0.993 30.842 31.823 0.019 0.000 0.641 120 V HN 0.072 8.297 8.190 0.059 0.000 0.445 121 A N -1.479 121.365 122.820 0.040 0.000 1.883 121 A HA -0.367 3.967 4.320 0.023 0.000 0.217 121 A C 2.487 180.095 177.584 0.042 0.000 1.186 121 A CA 3.354 55.411 52.037 0.035 0.000 0.624 121 A CB -0.754 18.267 19.000 0.036 0.000 0.822 121 A HN -0.294 7.883 8.150 0.045 0.000 0.444 122 E N -1.102 119.142 120.200 0.074 0.000 2.046 122 E HA -0.264 4.128 4.350 0.069 0.000 0.190 122 E C 2.817 179.446 176.600 0.049 0.000 0.982 122 E CA 2.993 59.446 56.400 0.089 0.000 0.800 122 E CB 0.123 29.939 29.700 0.193 0.000 0.756 122 E HN -0.415 8.000 8.360 0.092 0.000 0.449 123 L N -1.035 120.192 121.223 0.007 0.000 2.072 123 L HA -0.189 4.136 4.340 -0.024 0.000 0.205 123 L C 2.473 179.341 176.870 -0.004 0.000 1.079 123 L CA 3.058 57.877 54.840 -0.033 0.000 0.752 123 L CB 0.300 42.291 42.059 -0.113 0.000 0.906 123 L HN -0.009 8.233 8.230 0.019 0.000 0.436 124 I N -3.139 117.428 120.570 -0.005 0.000 2.500 124 I HA -0.203 3.955 4.170 -0.021 0.000 0.252 124 I C 2.192 178.307 176.117 -0.003 0.000 1.142 124 I CA 1.148 62.441 61.300 -0.011 0.000 1.451 124 I CB -1.620 36.371 38.000 -0.015 0.000 1.093 124 I HN -0.103 8.106 8.210 -0.002 0.000 0.430 125 G N -0.360 108.444 108.800 0.007 0.000 2.433 125 G HA2 -0.309 3.865 3.960 0.010 0.000 0.216 125 G HA3 -0.309 3.658 3.960 0.012 0.000 0.216 125 G C 1.237 176.142 174.900 0.009 0.000 1.186 125 G CA 2.663 47.769 45.100 0.010 0.000 0.779 125 G HN -0.234 8.062 8.290 0.011 0.000 0.543 126 T N 0.280 114.843 114.554 0.015 0.000 2.777 126 T HA -0.262 4.090 4.350 0.002 0.000 0.266 126 T C 1.478 176.187 174.700 0.016 0.000 1.040 126 T CA 3.269 65.380 62.100 0.018 0.000 1.141 126 T CB -0.296 68.602 68.868 0.049 0.000 0.868 126 T HN -0.369 7.884 8.240 0.021 0.000 0.444 127 N N -0.106 118.602 118.700 0.014 0.000 2.446 127 N HA -0.074 4.665 4.740 -0.001 0.000 0.179 127 N C -0.567 174.930 175.510 -0.023 0.000 1.054 127 N CA 2.496 55.540 53.050 -0.010 0.000 0.905 127 N CB 1.183 39.644 38.487 -0.044 0.000 0.973 127 N HN -0.630 7.759 8.380 0.016 0.000 0.448 128 A N -1.991 120.825 122.820 -0.008 0.000 1.773 128 A HA 0.236 4.558 4.320 0.003 0.000 0.210 128 A C 0.165 177.775 177.584 0.043 0.000 1.775 128 A CA 1.534 53.572 52.037 0.001 0.000 1.157 128 A CB 0.987 19.972 19.000 -0.025 0.000 1.119 128 A HN -0.628 7.477 8.150 -0.002 0.044 0.501 129 I N 0.496 121.089 120.570 0.037 0.000 2.286 129 I HA -0.457 3.779 4.170 0.111 0.000 0.245 129 I C 1.489 177.691 176.117 0.140 0.000 1.104 129 I CA 4.486 65.841 61.300 0.091 0.000 1.397 129 I CB 0.061 38.090 38.000 0.048 0.000 1.072 129 I HN -0.087 8.133 8.210 0.017 0.000 0.417 130 A N -0.258 122.598 122.820 0.060 0.000 1.902 130 A HA 0.011 4.348 4.320 0.027 0.000 0.217 130 A C -1.151 176.443 177.584 0.015 0.000 1.181 130 A CA 4.510 56.560 52.037 0.021 0.000 0.623 130 A CB -2.662 16.320 19.000 -0.030 0.000 0.818 130 A HN 0.284 8.456 8.150 0.037 0.000 0.443 131 P HA -0.253 4.333 4.420 -0.029 -0.184 0.216 131 P C 1.372 178.699 177.300 0.046 0.000 1.153 131 P CA 2.712 65.818 63.100 0.010 0.000 0.858 131 P CB -0.336 31.371 31.700 0.011 0.000 0.789 132 F N -0.935 118.995 119.950 -0.035 0.000 2.102 132 F HA -0.335 4.179 4.527 -0.022 0.000 0.298 132 F C 1.217 177.008 175.800 -0.014 0.000 1.105 132 F CA 3.711 61.697 58.000 -0.022 0.000 1.239 132 F CB 0.116 39.105 39.000 -0.018 0.000 0.991 132 F HN -0.570 7.881 8.300 0.251 0.000 0.474 133 L N -1.581 119.548 121.223 -0.156 0.000 2.056 133 L HA -0.443 3.618 4.340 -0.466 0.000 0.207 133 L C 2.133 178.893 176.870 -0.183 0.000 1.078 133 L CA 3.288 57.983 54.840 -0.241 0.000 0.749 133 L CB -0.322 41.718 42.059 -0.032 0.000 0.901 133 L HN -0.261 8.026 8.230 0.096 0.000 0.433 134 L N -1.573 119.589 121.223 -0.102 0.000 2.083 134 L HA -0.417 3.902 4.340 -0.035 0.000 0.209 134 L C 2.442 179.289 176.870 -0.039 0.000 1.083 134 L CA 3.509 58.314 54.840 -0.057 0.000 0.752 134 L CB -0.657 41.367 42.059 -0.058 0.000 0.899 134 L HN 0.286 8.470 8.230 -0.077 0.000 0.433 135 T N 1.726 116.220 114.554 -0.100 0.000 2.708 135 T HA -0.417 3.903 4.350 -0.050 0.000 0.266 135 T C 2.160 176.822 174.700 -0.064 0.000 1.037 135 T CA 4.484 66.536 62.100 -0.080 0.000 1.146 135 T CB -0.341 68.467 68.868 -0.099 0.000 0.865 135 T HN -0.209 7.959 8.240 -0.120 0.000 0.435 136 M N 1.138 120.595 119.600 -0.238 0.000 2.065 136 M HA -0.563 3.795 4.480 -0.203 0.000 0.259 136 M C 2.130 178.365 176.300 -0.108 0.000 1.069 136 M CA 5.073 60.232 55.300 -0.234 0.000 1.110 136 M CB -0.246 32.109 32.600 -0.409 0.000 1.328 136 M HN -0.063 8.008 8.290 -0.364 0.000 0.405 137 S N -0.053 115.601 115.700 -0.076 0.000 2.383 137 S HA -0.232 4.197 4.470 -0.068 0.000 0.227 137 S C 1.986 176.611 174.600 0.042 0.000 1.026 137 S CA 3.433 61.615 58.200 -0.031 0.000 0.981 137 S CB -0.619 62.572 63.200 -0.014 0.000 0.818 137 S HN -0.372 7.877 8.310 -0.102 0.000 0.472 138 F N 3.547 123.474 119.950 -0.038 0.000 2.069 138 F HA -0.522 4.064 4.527 0.098 0.000 0.298 138 F C 0.926 176.722 175.800 -0.006 0.000 1.113 138 F CA 3.806 61.820 58.000 0.023 0.000 1.214 138 F CB 0.110 39.115 39.000 0.008 0.000 0.978 138 F HN -0.202 8.232 8.300 0.223 0.000 0.474 139 A N -3.006 119.895 122.820 0.136 0.000 1.898 139 A HA -0.349 3.940 4.320 -0.051 0.000 0.216 139 A C 2.366 179.832 177.584 -0.196 0.000 1.181 139 A CA 2.817 54.826 52.037 -0.047 0.000 0.620 139 A CB -0.881 18.099 19.000 -0.033 0.000 0.819 139 A HN -0.100 8.180 8.150 0.216 0.000 0.442 140 Q N -1.087 118.613 119.800 -0.167 0.000 2.181 140 Q HA -0.268 3.944 4.340 -0.213 0.000 0.205 140 Q C 2.798 178.668 176.000 -0.217 0.000 0.980 140 Q CA 2.636 58.324 55.803 -0.191 0.000 0.862 140 Q CB -0.131 28.517 28.738 -0.151 0.000 0.905 140 Q HN -0.209 7.988 8.270 -0.122 0.000 0.429 141 R N -3.672 116.683 120.500 -0.241 0.000 2.275 141 R HA -0.055 4.059 4.340 -0.377 0.000 0.199 141 R C 0.693 176.833 176.300 -0.267 0.000 0.989 141 R CA 0.717 56.604 56.100 -0.354 0.000 1.016 141 R CB -0.217 29.766 30.300 -0.528 0.000 0.918 141 R HN -0.597 7.518 8.270 -0.208 0.030 0.473 142 Q N -3.295 116.372 119.800 -0.222 0.000 2.188 142 Q HA 0.222 4.495 4.340 -0.111 0.000 0.212 142 Q C -0.092 175.807 176.000 -0.168 0.000 0.846 142 Q CA -0.868 54.838 55.803 -0.163 0.000 0.989 142 Q CB -0.385 28.253 28.738 -0.167 0.000 1.114 142 Q HN -0.601 7.369 8.270 -0.252 0.149 0.488 143 K N 1.623 121.897 120.400 -0.210 0.000 2.360 143 K HA -0.203 3.880 4.320 -0.396 0.000 0.201 143 K C 0.116 176.650 176.600 -0.111 0.000 1.046 143 K CA 1.517 57.658 56.287 -0.243 0.000 0.940 143 K CB 0.035 32.409 32.500 -0.211 0.000 0.748 143 K HN -0.519 7.426 8.250 -0.210 0.179 0.465 153 N N 5.226 123.951 118.700 0.041 0.000 2.762 153 N HA 0.203 4.973 4.740 0.050 0.000 0.252 153 N C -0.985 174.583 175.510 0.098 0.000 1.269 153 N CA 0.397 53.480 53.050 0.055 0.000 0.799 153 N CB 0.284 38.795 38.487 0.039 0.000 1.173 153 N HN 0.249 8.652 8.380 0.038 0.000 0.516 154 L N 3.573 124.868 121.223 0.121 0.000 2.305 154 L HA 0.425 5.134 4.340 0.252 -0.217 0.281 154 L C -0.919 176.056 176.870 0.175 0.000 1.085 154 L CA -0.452 54.516 54.840 0.212 0.000 0.813 154 L CB 0.466 42.673 42.059 0.247 0.000 1.157 154 L HN 0.226 8.518 8.230 0.104 0.000 0.436 155 S N 1.805 117.590 115.700 0.142 0.000 2.588 155 S HA 0.842 5.468 4.470 0.002 -0.155 0.269 155 S C -2.045 172.432 174.600 -0.204 0.000 1.157 155 S CA -0.412 57.780 58.200 -0.014 0.000 0.824 155 S CB 3.637 66.817 63.200 -0.033 0.000 1.126 155 S HN 0.287 8.714 8.310 0.194 0.000 0.464 156 I N -0.541 119.885 120.570 -0.240 0.000 2.509 156 I HA 0.832 4.979 4.170 -0.377 -0.203 0.293 156 I C -1.347 174.662 176.117 -0.179 0.000 1.020 156 I CA -1.592 59.524 61.300 -0.307 0.000 1.088 156 I CB 3.797 41.585 38.000 -0.352 0.000 1.267 156 I HN 0.366 8.477 8.210 -0.165 0.000 0.430 157 V N 5.144 124.960 119.914 -0.162 0.000 2.483 157 V HA 0.509 4.786 4.120 -0.095 -0.214 0.297 157 V C -1.439 174.597 176.094 -0.097 0.000 1.027 157 V CA -2.330 59.904 62.300 -0.110 0.000 0.855 157 V CB 1.564 33.331 31.823 -0.095 0.000 0.995 157 V HN 0.562 8.640 8.190 -0.186 0.000 0.424 158 N N 6.898 125.552 118.700 -0.077 0.000 2.421 158 N HA 0.280 4.979 4.740 -0.068 0.000 0.285 158 N C -1.171 174.307 175.510 -0.054 0.000 1.027 158 N CA -1.188 51.823 53.050 -0.064 0.000 0.918 158 N CB 1.947 40.399 38.487 -0.058 0.000 1.152 158 N HN 0.461 8.798 8.380 -0.072 0.000 0.485 159 L N 3.529 124.724 121.223 -0.048 0.000 2.342 159 L HA 0.211 4.691 4.340 -0.044 -0.167 0.285 159 L C -0.133 176.709 176.870 -0.047 0.000 1.095 159 L CA -0.332 54.483 54.840 -0.043 0.000 0.843 159 L CB -2.286 39.752 42.059 -0.035 0.000 1.201 159 L HN -0.040 8.162 8.230 -0.046 0.000 0.445 160 C N 4.551 123.818 119.300 -0.055 0.000 2.370 160 C HA 0.095 4.505 4.460 -0.083 0.000 0.371 160 C C -1.548 173.404 174.990 -0.064 0.000 2.631 160 C CA -1.502 57.473 59.018 -0.072 0.000 1.819 160 C CB 1.921 29.615 27.740 -0.077 0.000 2.131 160 C HN 0.371 8.570 8.230 -0.051 0.000 0.400 161 D N -0.438 119.917 120.400 -0.075 0.000 2.763 161 D HA 0.057 4.782 4.640 -0.048 -0.114 0.235 161 D C -0.168 176.097 176.300 -0.057 0.000 1.334 161 D CA -0.319 53.650 54.000 -0.051 0.000 0.950 161 D CB 1.649 42.445 40.800 -0.006 0.000 1.433 161 D HN -0.336 7.978 8.370 -0.094 0.000 0.580 162 A N 5.852 128.644 122.820 -0.048 0.000 2.070 162 A HA -0.057 4.239 4.320 -0.039 0.000 0.220 162 A C 0.861 178.435 177.584 -0.018 0.000 1.159 162 A CA 2.479 54.495 52.037 -0.035 0.000 0.656 162 A CB 0.126 19.110 19.000 -0.027 0.000 0.800 162 A HN 0.771 8.890 8.150 -0.052 0.000 0.453 163 M N -3.778 115.816 119.600 -0.009 0.000 2.530 163 M HA 0.197 4.699 4.480 0.036 0.000 0.231 163 M C 1.138 177.460 176.300 0.037 0.000 1.180 163 M CA -2.207 53.108 55.300 0.026 0.000 0.985 163 M CB -1.764 30.855 32.600 0.031 0.000 1.623 163 M HN -0.441 8.079 8.290 -0.020 -0.242 0.475 164 V N 2.471 122.378 119.914 -0.013 0.000 2.568 164 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 164 V C -0.291 175.837 176.094 0.058 0.000 1.072 164 V CA 3.002 65.276 62.300 -0.044 0.000 1.084 164 V CB -0.139 31.537 31.823 -0.245 0.000 0.676 164 V HN -0.523 7.553 8.190 -0.038 0.092 0.469 165 D N -3.373 117.068 120.400 0.068 0.000 2.363 165 D HA 0.132 4.888 4.640 0.193 0.000 0.214 165 D C -1.002 175.361 176.300 0.105 0.000 1.093 165 D CA 0.506 54.583 54.000 0.127 0.000 0.837 165 D CB 0.409 41.273 40.800 0.108 0.000 0.948 165 D HN 0.177 8.532 8.370 0.034 0.035 0.507 166 Q N -0.760 119.099 119.800 0.099 0.000 3.075 166 Q HA 0.376 4.776 4.340 0.100 0.000 0.318 166 Q C -2.493 173.580 176.000 0.122 0.000 0.907 166 Q CA -2.347 53.519 55.803 0.104 0.000 0.882 166 Q CB 1.226 30.023 28.738 0.099 0.000 1.386 166 Q HN -0.540 7.614 8.270 0.092 0.171 0.408 167 P HA 0.067 4.573 4.420 0.145 0.000 0.276 167 P C -0.458 176.933 177.300 0.152 0.000 1.252 167 P CA -0.588 62.601 63.100 0.150 0.000 0.802 167 P CB 0.944 32.748 31.700 0.172 0.000 1.035 168 C N 0.542 119.919 119.300 0.128 0.000 2.644 168 C HA 0.145 4.705 4.460 0.166 0.000 0.417 168 C C 0.812 175.960 174.990 0.263 0.000 1.304 168 C CA 0.125 59.221 59.018 0.130 0.000 2.035 168 C CB 0.138 27.778 27.740 -0.167 0.000 2.673 168 C HN 0.277 8.566 8.230 0.098 0.000 0.602 169 M N 5.271 125.021 119.600 0.249 0.000 2.261 169 M HA -0.188 4.402 4.480 0.183 0.000 0.350 169 M C 0.227 176.707 176.300 0.300 0.000 1.343 169 M CA 1.259 56.695 55.300 0.227 0.000 1.003 169 M CB 0.202 32.900 32.600 0.164 0.000 1.848 169 M HN 0.368 8.787 8.290 0.216 0.000 0.456 170 A N 2.404 125.339 122.820 0.192 0.000 2.952 170 A HA -0.354 3.997 4.320 0.052 0.000 0.252 170 A C -1.397 176.179 177.584 -0.012 0.000 1.323 170 A CA 1.283 53.363 52.037 0.072 0.000 0.957 170 A CB -2.101 16.897 19.000 -0.003 0.000 1.130 170 A HN 0.600 8.849 8.150 0.166 0.000 0.799 171 F N -2.133 117.840 119.950 0.039 0.000 2.983 171 F HA 0.142 4.669 4.527 -0.001 0.000 0.307 171 F C 0.207 176.064 175.800 0.095 0.000 1.218 171 F CA -0.914 57.114 58.000 0.048 0.000 1.323 171 F CB -0.193 38.845 39.000 0.064 0.000 0.989 171 F HN -0.558 7.935 8.300 0.408 0.052 0.509 172 S N 3.284 119.073 115.700 0.149 0.000 2.359 172 S HA -0.362 4.187 4.470 0.133 0.000 0.224 172 S C 1.540 176.198 174.600 0.097 0.000 1.035 172 S CA 3.422 61.690 58.200 0.114 0.000 1.018 172 S CB -0.704 62.533 63.200 0.061 0.000 0.876 172 S HN -0.040 8.263 8.310 0.090 0.061 0.448 173 L N 1.281 122.543 121.223 0.065 0.000 2.056 173 L HA -0.256 4.098 4.340 0.024 0.000 0.207 173 L C 1.935 178.841 176.870 0.060 0.000 1.078 173 L CA 2.724 57.586 54.840 0.036 0.000 0.749 173 L CB -0.329 41.730 42.059 0.000 0.000 0.901 173 L HN -0.665 7.592 8.230 0.044 0.000 0.433 174 Y N -0.527 119.781 120.300 0.013 0.000 2.081 174 Y HA -0.524 4.045 4.550 0.032 0.000 0.280 174 Y C 1.264 177.229 175.900 0.109 0.000 1.163 174 Y CA 3.338 61.485 58.100 0.078 0.000 1.135 174 Y CB -0.425 38.163 38.460 0.214 0.000 0.970 174 Y HN -0.225 8.183 8.280 0.213 0.000 0.498 175 N N -1.068 117.678 118.700 0.076 0.000 2.120 175 N HA -0.434 4.219 4.740 -0.144 0.000 0.188 175 N C 2.308 177.815 175.510 -0.004 0.000 1.024 175 N CA 3.420 56.473 53.050 0.005 0.000 0.852 175 N CB 0.174 38.771 38.487 0.183 0.000 1.003 175 N HN -0.335 8.220 8.380 0.292 0.000 0.424 176 M N -0.181 119.429 119.600 0.016 0.000 2.108 176 M HA -0.414 4.086 4.480 0.034 0.000 0.261 176 M C 2.043 178.330 176.300 -0.022 0.000 1.066 176 M CA 4.372 59.677 55.300 0.009 0.000 1.107 176 M CB -0.160 32.438 32.600 -0.004 0.000 1.356 176 M HN 0.313 8.624 8.290 0.035 0.000 0.406 177 G N -1.357 107.393 108.800 -0.083 0.000 2.418 177 G HA2 -0.393 3.494 3.960 -0.121 0.000 0.217 177 G HA3 -0.393 3.526 3.960 -0.067 0.000 0.217 177 G C 1.132 175.943 174.900 -0.148 0.000 1.158 177 G CA 2.112 47.148 45.100 -0.107 0.000 0.771 177 G HN 0.044 8.283 8.290 -0.085 0.000 0.545 178 K N 1.001 121.237 120.400 -0.273 0.000 2.148 178 K HA -0.195 3.991 4.320 -0.222 0.000 0.204 178 K C 2.276 178.780 176.600 -0.161 0.000 1.050 178 K CA 2.255 58.385 56.287 -0.262 0.000 0.942 178 K CB -0.786 31.468 32.500 -0.411 0.000 0.724 178 K HN -0.348 7.676 8.250 -0.376 0.000 0.446 179 H N -0.058 118.938 119.070 -0.124 0.000 2.353 179 H HA -0.235 4.283 4.556 -0.064 0.000 0.300 179 H C 2.008 177.298 175.328 -0.064 0.000 1.090 179 H CA 3.956 59.959 56.048 -0.074 0.000 1.327 179 H CB 0.463 30.192 29.762 -0.055 0.000 1.383 179 H HN -0.215 8.081 8.280 0.026 0.000 0.508 180 A N -0.846 122.006 122.820 0.054 0.000 1.940 180 A HA -0.298 4.032 4.320 0.016 0.000 0.219 180 A C 2.054 179.630 177.584 -0.012 0.000 1.176 180 A CA 3.062 55.103 52.037 0.006 0.000 0.631 180 A CB -0.761 18.225 19.000 -0.023 0.000 0.814 180 A HN -0.020 8.161 8.150 0.051 0.000 0.446 181 L N -1.714 119.488 121.223 -0.036 0.000 2.131 181 L HA -0.268 4.060 4.340 -0.019 0.000 0.210 181 L C 1.607 178.453 176.870 -0.040 0.000 1.092 181 L CA 2.796 57.613 54.840 -0.039 0.000 0.759 181 L CB -0.096 41.925 42.059 -0.063 0.000 0.903 181 L HN -0.516 7.590 8.230 -0.051 0.094 0.435 182 V N -1.252 118.626 119.914 -0.059 0.000 2.295 182 V HA -0.520 3.567 4.120 -0.055 0.000 0.246 182 V C 1.958 178.044 176.094 -0.014 0.000 1.049 182 V CA 4.041 66.310 62.300 -0.052 0.000 1.024 182 V CB -1.163 30.604 31.823 -0.093 0.000 0.648 182 V HN -0.532 7.612 8.190 -0.078 0.000 0.447 183 G N -0.866 107.938 108.800 0.007 0.000 2.418 183 G HA2 -0.325 3.645 3.960 0.017 0.000 0.217 183 G HA3 -0.325 3.645 3.960 0.018 0.000 0.217 183 G C 1.084 175.994 174.900 0.016 0.000 1.158 183 G CA 2.206 47.315 45.100 0.015 0.000 0.771 183 G HN -0.475 7.822 8.290 0.012 0.000 0.545 184 L N 0.830 122.064 121.223 0.019 0.000 2.046 184 L HA -0.221 4.160 4.340 0.067 0.000 0.208 184 L C 1.776 178.664 176.870 0.031 0.000 1.077 184 L CA 3.011 57.879 54.840 0.047 0.000 0.747 184 L CB -0.302 41.798 42.059 0.067 0.000 0.896 184 L HN -0.035 8.201 8.230 0.010 0.000 0.432 185 T N 1.273 115.830 114.554 0.005 0.000 2.684 185 T HA -0.431 3.911 4.350 -0.013 0.000 0.267 185 T C 2.396 177.095 174.700 -0.002 0.000 1.036 185 T CA 4.976 67.070 62.100 -0.009 0.000 1.148 185 T CB -0.582 68.272 68.868 -0.024 0.000 0.863 185 T HN -0.231 8.008 8.240 -0.002 0.000 0.436 186 Q N 0.712 120.513 119.800 0.003 0.000 2.049 186 Q HA -0.307 4.033 4.340 -0.001 0.000 0.198 186 Q C 2.714 178.723 176.000 0.014 0.000 0.971 186 Q CA 3.714 59.520 55.803 0.005 0.000 0.833 186 Q CB -0.151 28.590 28.738 0.006 0.000 0.896 186 Q HN -0.348 7.923 8.270 0.002 0.000 0.434 187 S N 0.885 116.601 115.700 0.026 0.000 2.356 187 S HA -0.256 4.234 4.470 0.033 0.000 0.223 187 S C 2.068 176.699 174.600 0.051 0.000 1.032 187 S CA 3.649 61.873 58.200 0.040 0.000 1.005 187 S CB -0.462 62.769 63.200 0.052 0.000 0.867 187 S HN -0.007 8.318 8.310 0.025 0.000 0.449 188 A N 0.808 123.661 122.820 0.054 0.000 1.969 188 A HA -0.296 4.068 4.320 0.074 0.000 0.218 188 A C 1.427 179.037 177.584 0.043 0.000 1.169 188 A CA 2.761 54.832 52.037 0.057 0.000 0.635 188 A CB -0.642 18.385 19.000 0.045 0.000 0.810 188 A HN 0.039 8.220 8.150 0.051 0.000 0.445 189 A N -0.223 122.609 122.820 0.019 0.000 1.883 189 A HA -0.305 4.018 4.320 0.005 0.000 0.217 189 A C 1.778 179.366 177.584 0.008 0.000 1.186 189 A CA 2.944 54.984 52.037 0.005 0.000 0.624 189 A CB -0.726 18.266 19.000 -0.014 0.000 0.822 189 A HN -0.473 7.686 8.150 0.015 0.000 0.444 190 L N -2.491 118.738 121.223 0.011 0.000 2.017 190 L HA -0.314 4.021 4.340 -0.009 0.000 0.208 190 L C 1.807 178.690 176.870 0.022 0.000 1.073 190 L CA 2.977 57.822 54.840 0.007 0.000 0.745 190 L CB -0.167 41.898 42.059 0.009 0.000 0.894 190 L HN -0.459 7.779 8.230 0.014 0.000 0.432 191 E N -1.525 118.707 120.200 0.054 0.000 2.208 191 E HA -0.202 4.189 4.350 0.068 0.000 0.193 191 E C 1.509 178.199 176.600 0.150 0.000 0.988 191 E CA 2.541 58.995 56.400 0.089 0.000 0.828 191 E CB 0.517 30.280 29.700 0.105 0.000 0.763 191 E HN -0.525 7.869 8.360 0.055 0.000 0.478 192 L N -2.897 118.416 121.223 0.151 0.000 2.585 192 L HA 0.184 4.808 4.340 0.473 0.000 0.226 192 L C 1.071 178.040 176.870 0.165 0.000 1.113 192 L CA 0.189 55.185 54.840 0.260 0.000 0.876 192 L CB 0.346 42.526 42.059 0.202 0.000 1.072 192 L HN -0.282 7.984 8.230 0.106 0.028 0.468 193 A N 1.162 124.011 122.820 0.048 0.000 1.917 193 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 193 A C -0.532 177.010 177.584 -0.069 0.000 1.182 193 A CA 4.235 56.263 52.037 -0.015 0.000 0.633 193 A CB -2.706 16.265 19.000 -0.049 0.000 0.819 193 A HN -0.311 7.863 8.150 0.041 0.000 0.448 194 P HA -0.153 4.138 4.420 -0.216 0.000 0.225 194 P C -0.290 176.786 177.300 -0.374 0.000 1.148 194 P CA 2.117 65.021 63.100 -0.326 0.000 0.779 194 P CB -0.200 31.166 31.700 -0.556 0.000 0.780 195 Y N -4.510 115.798 120.300 0.013 0.000 2.466 195 Y HA 0.016 4.574 4.550 0.013 0.000 0.272 195 Y C 1.028 176.944 175.900 0.026 0.000 1.169 195 Y CA -0.343 57.768 58.100 0.019 0.000 1.285 195 Y CB -0.263 38.212 38.460 0.026 0.000 1.078 195 Y HN -0.438 7.610 8.280 -0.133 0.153 0.523 196 G N -1.013 107.847 108.800 0.101 0.000 2.153 196 G HA2 -0.463 3.543 3.960 0.076 0.000 0.252 196 G HA3 -0.463 3.523 3.960 0.042 0.000 0.252 196 G C -0.635 174.329 174.900 0.108 0.000 0.994 196 G CA 0.495 45.642 45.100 0.079 0.000 0.698 196 G HN -0.345 7.785 8.290 0.048 0.189 0.521 197 I N 0.535 121.195 120.570 0.150 0.000 2.304 197 I HA -0.072 4.376 4.170 0.167 -0.177 0.291 197 I C -0.669 175.500 176.117 0.085 0.000 1.018 197 I CA -0.418 60.980 61.300 0.163 0.000 1.260 197 I CB 0.361 38.514 38.000 0.255 0.000 1.390 197 I HN -0.885 7.384 8.210 0.176 0.047 0.475 198 R N 6.618 127.144 120.500 0.042 0.000 2.459 198 R HA 0.184 4.516 4.340 -0.014 0.000 0.281 198 R C -1.284 174.997 176.300 -0.031 0.000 1.050 198 R CA -0.645 55.450 56.100 -0.009 0.000 1.055 198 R CB 2.005 32.285 30.300 -0.033 0.000 1.045 198 R HN -0.148 8.155 8.270 0.054 0.000 0.495 199 V N 2.005 121.895 119.914 -0.040 0.000 2.524 199 V HA 0.538 4.787 4.120 -0.080 -0.177 0.297 199 V C -1.630 174.434 176.094 -0.050 0.000 1.035 199 V CA -1.300 60.966 62.300 -0.056 0.000 0.867 199 V CB 1.285 33.085 31.823 -0.039 0.000 1.004 199 V HN 0.105 8.273 8.190 -0.037 0.000 0.426 200 N N 5.635 124.299 118.700 -0.059 0.000 2.697 200 N HA 0.594 5.387 4.740 -0.034 -0.073 0.272 200 N C -1.951 173.533 175.510 -0.044 0.000 1.381 200 N CA -0.992 52.033 53.050 -0.043 0.000 0.797 200 N CB 5.263 43.726 38.487 -0.040 0.000 1.523 200 N HN 0.456 8.792 8.380 -0.073 0.000 0.518 201 G N -2.541 106.242 108.800 -0.030 0.000 2.574 201 G HA2 0.750 4.688 3.960 -0.036 0.000 0.299 201 G HA3 0.750 4.851 3.960 -0.042 -0.167 0.299 201 G C -2.763 172.126 174.900 -0.018 0.000 1.298 201 G CA -0.955 44.125 45.100 -0.033 0.000 0.952 201 G HN 0.470 8.748 8.290 -0.020 0.000 0.477 202 V N 0.816 120.716 119.914 -0.024 0.000 2.487 202 V HA 0.493 4.771 4.120 -0.005 -0.161 0.298 202 V C -2.082 173.994 176.094 -0.031 0.000 1.028 202 V CA -2.136 60.154 62.300 -0.016 0.000 0.860 202 V CB 2.821 34.637 31.823 -0.012 0.000 0.991 202 V HN 0.079 8.249 8.190 -0.033 0.000 0.427 203 A N 8.227 131.029 122.820 -0.030 0.000 2.399 203 A HA 0.642 4.933 4.320 -0.049 0.000 0.327 203 A C -2.983 174.574 177.584 -0.044 0.000 1.367 203 A CA -3.350 48.662 52.037 -0.042 0.000 0.842 203 A CB 0.352 19.326 19.000 -0.043 0.000 1.142 203 A HN 0.805 8.942 8.150 -0.022 0.000 0.495 204 P HA 0.185 4.754 4.420 -0.057 -0.184 0.272 204 P C 0.248 177.501 177.300 -0.078 0.000 1.230 204 P CA -0.451 62.608 63.100 -0.068 0.000 0.788 204 P CB 0.943 32.589 31.700 -0.089 0.000 0.949 205 G N 0.404 109.157 108.800 -0.077 0.000 2.549 205 G HA2 0.047 3.974 3.960 -0.054 0.000 0.219 205 G HA3 0.047 3.958 3.960 -0.081 0.000 0.219 205 G C -1.199 173.602 174.900 -0.166 0.000 1.677 205 G CA 0.239 45.287 45.100 -0.087 0.000 0.929 205 G HN -0.091 8.160 8.290 -0.066 0.000 0.549 206 V N -3.044 116.784 119.914 -0.144 0.000 2.384 206 V HA 0.383 4.334 4.120 -0.283 0.000 0.287 206 V C -1.834 174.185 176.094 -0.126 0.000 1.020 206 V CA -1.688 60.490 62.300 -0.203 0.000 0.850 206 V CB 1.195 32.888 31.823 -0.216 0.000 0.987 206 V HN -0.259 7.881 8.190 -0.085 0.000 0.436 207 S N 7.660 123.273 115.700 -0.145 0.000 3.617 207 S HA 0.298 4.938 4.470 -0.076 -0.215 0.220 207 S C -0.837 173.699 174.600 -0.106 0.000 1.040 207 S CA -1.708 56.431 58.200 -0.102 0.000 1.454 207 S CB 1.182 64.325 63.200 -0.094 0.000 1.045 207 S HN 0.248 8.446 8.310 -0.187 0.000 0.658 208 L N 2.224 123.392 121.223 -0.091 0.000 2.584 208 L HA -0.147 4.157 4.340 -0.059 0.000 0.272 208 L C -0.614 176.192 176.870 -0.107 0.000 1.195 208 L CA 0.734 55.527 54.840 -0.078 0.000 0.920 208 L CB -0.230 41.793 42.059 -0.060 0.000 1.173 208 L HN -0.011 8.168 8.230 -0.085 0.000 0.489 209 L N 6.111 127.284 121.223 -0.083 0.000 2.439 209 L HA 0.206 4.447 4.340 -0.165 0.000 0.261 209 L C -1.508 175.326 176.870 -0.062 0.000 1.153 209 L CA -1.942 52.838 54.840 -0.100 0.000 0.808 209 L CB -0.598 41.429 42.059 -0.054 0.000 1.126 209 L HN 0.100 8.295 8.230 -0.057 0.000 0.460 210 P HA -0.011 4.406 4.420 -0.005 0.000 0.266 210 P C 0.338 177.655 177.300 0.028 0.000 1.195 210 P CA -0.437 62.668 63.100 0.010 0.000 0.768 210 P CB 0.324 32.074 31.700 0.082 0.000 0.838 211 V N -0.123 119.809 119.914 0.031 0.000 2.626 211 V HA -0.279 3.854 4.120 0.021 0.000 0.252 211 V C 0.059 176.176 176.094 0.039 0.000 1.067 211 V CA 2.395 64.712 62.300 0.028 0.000 1.081 211 V CB -0.343 31.494 31.823 0.024 0.000 0.686 211 V HN 0.141 8.350 8.190 0.032 0.000 0.468 212 A N -2.195 120.657 122.820 0.054 0.000 2.208 212 A HA -0.026 4.321 4.320 0.045 0.000 0.209 212 A C 0.181 177.804 177.584 0.065 0.000 1.161 212 A CA 0.135 52.206 52.037 0.056 0.000 0.782 212 A CB -0.359 18.680 19.000 0.064 0.000 0.816 212 A HN -0.389 7.777 8.150 0.061 0.020 0.477 213 M N 1.233 120.877 119.600 0.074 0.000 2.228 213 M HA -0.111 4.428 4.480 0.099 0.000 0.351 213 M C 0.054 176.399 176.300 0.074 0.000 1.233 213 M CA 0.477 55.830 55.300 0.088 0.000 1.129 213 M CB 1.092 33.752 32.600 0.100 0.000 1.604 213 M HN -0.800 7.359 8.290 0.070 0.173 0.457 214 G N 3.963 112.809 108.800 0.076 0.000 2.554 214 G HA2 -0.071 4.069 3.960 0.058 0.000 0.238 214 G HA3 -0.071 3.919 3.960 0.050 0.000 0.238 214 G C 0.432 175.370 174.900 0.063 0.000 1.259 214 G CA -0.547 44.589 45.100 0.061 0.000 0.843 214 G HN 0.122 8.463 8.290 0.085 0.000 0.582 215 E N 2.892 123.120 120.200 0.047 0.000 2.118 215 E HA -0.387 3.992 4.350 0.049 0.000 0.195 215 E C 2.011 178.640 176.600 0.049 0.000 0.992 215 E CA 3.323 59.750 56.400 0.045 0.000 0.804 215 E CB -0.468 29.251 29.700 0.032 0.000 0.741 215 E HN 0.573 8.957 8.360 0.041 0.000 0.458 216 E N -2.160 118.065 120.200 0.042 0.000 2.085 216 E HA -0.277 4.090 4.350 0.028 0.000 0.194 216 E C 2.208 178.835 176.600 0.046 0.000 0.994 216 E CA 2.684 59.104 56.400 0.034 0.000 0.801 216 E CB -1.752 27.962 29.700 0.024 0.000 0.743 216 E HN 0.511 8.894 8.360 0.039 0.000 0.453 217 E N -0.337 119.907 120.200 0.073 0.000 2.107 217 E HA -0.196 4.192 4.350 0.063 0.000 0.191 217 E C 2.356 179.073 176.600 0.195 0.000 0.982 217 E CA 2.182 58.650 56.400 0.113 0.000 0.809 217 E CB -0.753 29.037 29.700 0.149 0.000 0.756 217 E HN -0.575 7.828 8.360 0.072 0.000 0.459 218 K N -0.505 119.995 120.400 0.167 0.000 2.057 218 K HA -0.273 4.202 4.320 0.258 0.000 0.207 218 K C 2.299 178.996 176.600 0.161 0.000 1.049 218 K CA 3.494 59.891 56.287 0.183 0.000 0.931 218 K CB -0.162 32.401 32.500 0.105 0.000 0.714 218 K HN -0.267 8.059 8.250 0.128 0.000 0.440 219 D N -1.340 119.116 120.400 0.093 0.000 2.178 219 D HA -0.202 4.477 4.640 0.066 0.000 0.201 219 D C 2.104 178.429 176.300 0.042 0.000 0.980 219 D CA 2.901 56.937 54.000 0.061 0.000 0.842 219 D CB -0.585 40.235 40.800 0.033 0.000 0.948 219 D HN -0.363 8.055 8.370 0.080 0.000 0.472 220 K N 0.026 120.432 120.400 0.010 0.000 2.057 220 K HA -0.309 3.959 4.320 -0.087 0.000 0.207 220 K C 2.581 179.103 176.600 -0.130 0.000 1.049 220 K CA 3.097 59.325 56.287 -0.098 0.000 0.931 220 K CB -0.102 32.287 32.500 -0.185 0.000 0.714 220 K HN -0.663 7.501 8.250 0.028 0.102 0.440 221 W N -2.093 119.205 121.300 -0.004 0.000 2.381 221 W HA -0.317 4.337 4.660 -0.010 0.000 0.301 221 W C 2.808 179.318 176.519 -0.014 0.000 1.205 221 W CA 3.075 60.414 57.345 -0.010 0.000 1.285 221 W CB -0.050 29.402 29.460 -0.013 0.000 1.133 221 W HN -0.591 7.686 8.180 0.162 0.000 0.521 222 R N -1.218 119.410 120.500 0.213 0.000 2.091 222 R HA -0.464 3.950 4.340 0.124 0.000 0.238 222 R C 2.208 178.551 176.300 0.070 0.000 1.136 222 R CA 3.581 59.752 56.100 0.119 0.000 0.959 222 R CB -0.460 29.887 30.300 0.078 0.000 0.856 222 R HN -0.290 8.108 8.270 0.214 0.000 0.437 223 R N -4.482 116.042 120.500 0.039 0.000 2.237 223 R HA -0.223 4.121 4.340 0.008 0.000 0.219 223 R C 1.316 177.613 176.300 -0.006 0.000 1.080 223 R CA 2.224 58.326 56.100 0.004 0.000 0.995 223 R CB -0.275 30.013 30.300 -0.019 0.000 0.875 223 R HN -0.523 7.755 8.270 0.040 0.016 0.462 224 K N -3.531 116.873 120.400 0.007 0.000 2.365 224 K HA -0.109 4.190 4.320 -0.036 0.000 0.197 224 K C 0.056 176.672 176.600 0.026 0.000 1.042 224 K CA 0.850 57.136 56.287 -0.002 0.000 0.987 224 K CB 0.438 32.939 32.500 0.001 0.000 0.779 224 K HN -0.639 7.466 8.250 0.031 0.163 0.484 225 V N 2.103 122.047 119.914 0.049 0.000 2.427 225 V HA 0.097 4.245 4.120 0.046 0.000 0.268 225 V C -1.076 175.027 176.094 0.015 0.000 1.046 225 V CA -2.273 60.052 62.300 0.041 0.000 0.970 225 V CB -0.981 30.872 31.823 0.049 0.000 1.001 225 V HN -0.853 7.322 8.190 0.056 0.050 0.476 226 P HA -0.178 4.235 4.420 -0.011 0.000 0.215 226 P C -0.405 176.893 177.300 -0.003 0.000 1.153 226 P CA 2.276 65.373 63.100 -0.006 0.000 0.853 226 P CB 0.265 31.959 31.700 -0.010 0.000 0.788 227 L N -1.205 120.018 121.223 -0.000 0.000 2.356 227 L HA -0.089 4.249 4.340 -0.004 0.000 0.282 227 L C 0.119 176.989 176.870 0.000 0.000 1.132 227 L CA -0.359 54.479 54.840 -0.002 0.000 0.923 227 L CB -0.995 41.061 42.059 -0.005 0.000 1.278 227 L HN -0.591 7.640 8.230 0.002 0.000 0.436 228 G N 5.866 114.666 108.800 0.000 0.000 2.199 228 G HA2 -0.344 3.617 3.960 0.001 0.000 0.254 228 G HA3 -0.344 3.616 3.960 0.000 0.000 0.254 228 G C 0.136 175.040 174.900 0.006 0.000 0.982 228 G CA -0.132 44.969 45.100 0.002 0.000 0.632 228 G HN -0.109 8.180 8.290 -0.001 0.000 0.529 229 R N -3.047 117.459 120.500 0.010 0.000 3.416 229 R HA -0.479 4.118 4.340 0.020 -0.245 0.263 229 R C -1.377 174.936 176.300 0.023 0.000 1.053 229 R CA 0.936 57.046 56.100 0.016 0.000 0.705 229 R CB -2.687 27.618 30.300 0.009 0.000 1.124 229 R HN -0.177 8.037 8.270 0.009 0.061 0.444 230 R N -4.420 116.094 120.500 0.024 0.000 2.710 230 R HA 0.229 4.588 4.340 0.032 0.000 0.270 230 R C -2.374 173.940 176.300 0.022 0.000 1.021 230 R CA -1.694 54.420 56.100 0.024 0.000 0.889 230 R CB 2.688 32.995 30.300 0.013 0.000 1.243 230 R HN -0.527 7.743 8.270 0.022 0.013 0.464 231 E N -0.035 120.175 120.200 0.018 0.000 2.374 231 E HA -0.055 4.380 4.350 -0.001 -0.085 0.260 231 E C -0.611 175.981 176.600 -0.014 0.000 1.101 231 E CA -0.735 55.663 56.400 -0.002 0.000 0.907 231 E CB 0.658 30.349 29.700 -0.016 0.000 1.014 231 E HN -0.038 8.334 8.360 0.021 0.000 0.427 232 A N 0.813 123.617 122.820 -0.027 0.000 2.477 232 A HA 0.015 4.474 4.320 -0.020 -0.151 0.246 232 A C 0.291 177.858 177.584 -0.029 0.000 1.078 232 A CA 0.033 52.053 52.037 -0.027 0.000 0.770 232 A CB 0.759 19.738 19.000 -0.035 0.000 1.011 232 A HN 0.007 8.137 8.150 -0.034 0.000 0.494 233 S N 1.582 117.269 115.700 -0.021 0.000 2.584 233 S HA -0.004 4.453 4.470 -0.021 0.000 0.270 233 S C 1.500 176.085 174.600 -0.025 0.000 1.346 233 S CA -0.118 58.070 58.200 -0.021 0.000 1.018 233 S CB 1.221 64.413 63.200 -0.014 0.000 0.899 233 S HN -0.088 8.462 8.310 -0.018 -0.250 0.542 234 A N 1.389 124.194 122.820 -0.025 0.000 1.978 234 A HA -0.208 4.093 4.320 -0.032 0.000 0.220 234 A C 2.498 180.071 177.584 -0.018 0.000 1.170 234 A CA 3.080 55.102 52.037 -0.026 0.000 0.636 234 A CB -0.383 18.603 19.000 -0.023 0.000 0.810 234 A HN 0.711 8.847 8.150 -0.024 0.000 0.448 235 E N -2.044 118.149 120.200 -0.012 0.000 2.110 235 E HA -0.362 3.986 4.350 -0.004 0.000 0.193 235 E C 2.535 179.131 176.600 -0.006 0.000 0.988 235 E CA 3.347 59.743 56.400 -0.006 0.000 0.804 235 E CB -0.783 28.916 29.700 -0.003 0.000 0.745 235 E HN 0.414 8.743 8.360 -0.013 0.023 0.458 236 Q N -0.864 118.929 119.800 -0.011 0.000 2.119 236 Q HA -0.284 4.051 4.340 -0.009 0.000 0.201 236 Q C 2.426 178.419 176.000 -0.012 0.000 0.972 236 Q CA 2.780 58.575 55.803 -0.012 0.000 0.847 236 Q CB 0.146 28.874 28.738 -0.016 0.000 0.903 236 Q HN -0.644 7.618 8.270 -0.013 0.000 0.433 237 I N -0.863 119.696 120.570 -0.018 0.000 2.179 237 I HA -0.403 3.756 4.170 -0.018 0.000 0.242 237 I C 1.867 177.978 176.117 -0.009 0.000 1.088 237 I CA 1.611 62.899 61.300 -0.019 0.000 1.357 237 I CB -1.285 36.696 38.000 -0.031 0.000 1.051 237 I HN -0.777 7.420 8.210 -0.021 0.000 0.409 238 A N -0.483 122.332 122.820 -0.009 0.000 1.978 238 A HA -0.398 3.915 4.320 -0.012 0.000 0.220 238 A C 1.898 179.488 177.584 0.010 0.000 1.170 238 A CA 3.390 55.424 52.037 -0.005 0.000 0.636 238 A CB -0.892 18.105 19.000 -0.006 0.000 0.810 238 A HN 0.016 8.159 8.150 -0.012 0.000 0.448 239 D N -1.403 119.007 120.400 0.016 0.000 2.149 239 D HA -0.394 4.270 4.640 0.041 0.000 0.198 239 D C 2.034 178.375 176.300 0.068 0.000 0.990 239 D CA 3.580 57.601 54.000 0.035 0.000 0.839 239 D CB -0.561 40.250 40.800 0.018 0.000 0.948 239 D HN -0.125 8.234 8.370 0.008 0.016 0.460 240 A N -0.731 122.122 122.820 0.055 0.000 1.929 240 A HA -0.152 4.256 4.320 0.147 0.000 0.216 240 A C 2.136 179.792 177.584 0.119 0.000 1.176 240 A CA 2.859 54.958 52.037 0.103 0.000 0.628 240 A CB -0.589 18.446 19.000 0.058 0.000 0.816 240 A HN -0.670 7.486 8.150 0.031 0.013 0.444 241 V N 0.111 120.053 119.914 0.046 0.000 2.287 241 V HA -0.454 3.663 4.120 -0.004 0.000 0.248 241 V C 2.062 178.157 176.094 0.001 0.000 1.053 241 V CA 3.936 66.237 62.300 0.002 0.000 1.027 241 V CB -0.820 30.983 31.823 -0.034 0.000 0.646 241 V HN -0.752 7.456 8.190 0.030 0.000 0.447 242 I N -0.792 119.795 120.570 0.028 0.000 2.226 242 I HA -0.470 3.697 4.170 -0.004 0.000 0.245 242 I C 2.253 178.419 176.117 0.082 0.000 1.100 242 I CA 2.320 63.643 61.300 0.039 0.000 1.374 242 I CB -1.334 36.702 38.000 0.059 0.000 1.057 242 I HN -0.282 7.948 8.210 0.034 0.000 0.413 243 F N 1.328 121.277 119.950 -0.001 0.000 2.069 243 F HA -0.358 4.179 4.527 0.016 0.000 0.298 243 F C 2.424 178.230 175.800 0.011 0.000 1.113 243 F CA 3.330 61.335 58.000 0.008 0.000 1.214 243 F CB -0.064 38.939 39.000 0.004 0.000 0.978 243 F HN -0.579 7.871 8.300 0.250 0.000 0.474 244 L N -3.736 117.360 121.223 -0.212 0.000 2.191 244 L HA -0.267 3.750 4.340 -0.538 0.000 0.212 244 L C 1.064 177.796 176.870 -0.230 0.000 1.103 244 L CA 2.260 56.917 54.840 -0.305 0.000 0.769 244 L CB 0.043 42.043 42.059 -0.098 0.000 0.908 244 L HN -0.517 7.730 8.230 0.027 0.000 0.438 245 V N -10.603 109.229 119.914 -0.138 0.000 3.406 245 V HA 0.092 4.168 4.120 -0.073 0.000 0.263 245 V C -0.096 175.980 176.094 -0.029 0.000 1.172 245 V CA -0.214 62.043 62.300 -0.072 0.000 1.140 245 V CB -0.090 31.693 31.823 -0.067 0.000 0.784 245 V HN -0.606 7.494 8.190 -0.111 0.023 0.467 246 S N 0.423 116.072 115.700 -0.086 0.000 2.634 246 S HA 0.043 4.529 4.470 0.027 0.000 0.261 246 S C 1.633 176.190 174.600 -0.072 0.000 1.271 246 S CA -0.269 57.908 58.200 -0.039 0.000 0.985 246 S CB 1.574 64.763 63.200 -0.018 0.000 0.968 246 S HN -0.668 7.377 8.310 -0.155 0.172 0.568 247 G N -0.743 108.043 108.800 -0.023 0.000 2.509 247 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.218 247 G HA3 -0.103 3.968 3.960 -0.019 -0.122 0.218 247 G C 1.286 176.173 174.900 -0.022 0.000 1.124 247 G CA 1.764 46.853 45.100 -0.018 0.000 0.776 247 G HN 0.357 8.646 8.290 -0.001 0.000 0.547 248 S N 0.283 115.967 115.700 -0.028 0.000 2.555 248 S HA -0.141 4.367 4.470 0.064 0.000 0.230 248 S C -0.207 174.343 174.600 -0.084 0.000 0.978 248 S CA 1.138 59.356 58.200 0.030 0.000 0.934 248 S CB -0.634 62.683 63.200 0.195 0.000 0.766 248 S HN -0.512 7.735 8.310 -0.028 0.046 0.533 249 A N -0.296 122.353 122.820 -0.285 0.000 2.606 249 A HA 0.373 4.539 4.320 -0.257 0.000 0.290 249 A C 0.270 177.779 177.584 -0.125 0.000 1.174 249 A CA -0.281 51.542 52.037 -0.357 0.000 0.958 249 A CB 0.278 18.807 19.000 -0.785 0.000 1.194 249 A HN -0.457 7.468 8.150 -0.245 0.079 0.526 250 Q N -0.880 118.901 119.800 -0.032 0.000 2.437 250 Q HA -0.281 4.052 4.340 -0.012 0.000 0.210 250 Q C -0.062 175.990 176.000 0.087 0.000 0.972 250 Q CA 2.576 58.390 55.803 0.019 0.000 0.903 250 Q CB 0.075 28.833 28.738 0.033 0.000 0.967 250 Q HN -0.600 7.656 8.270 -0.023 0.000 0.486 251 Y N -3.246 117.039 120.300 -0.025 0.000 2.458 251 Y HA -0.011 4.534 4.550 -0.007 0.000 0.256 251 Y C -1.087 174.808 175.900 -0.008 0.000 1.159 251 Y CA -0.415 57.680 58.100 -0.008 0.000 1.261 251 Y CB 0.672 39.135 38.460 0.005 0.000 1.119 251 Y HN -0.567 7.786 8.280 0.189 0.040 0.524 252 I N 1.508 122.093 120.570 0.024 0.000 2.312 252 I HA -0.020 4.157 4.170 0.011 0.000 0.291 252 I C -1.245 174.833 176.117 -0.065 0.000 1.031 252 I CA 0.127 61.422 61.300 -0.009 0.000 1.293 252 I CB -0.175 37.829 38.000 0.006 0.000 1.403 252 I HN -0.648 7.402 8.210 0.024 0.175 0.484 253 T N 6.290 120.797 114.554 -0.079 0.000 2.956 253 T HA 0.102 4.562 4.350 -0.057 -0.145 0.312 253 T C 0.064 174.734 174.700 -0.050 0.000 1.151 253 T CA -0.783 61.275 62.100 -0.070 0.000 1.024 253 T CB 2.350 71.165 68.868 -0.088 0.000 1.140 253 T HN -0.263 7.926 8.240 -0.084 0.000 0.473 254 G N 6.335 115.114 108.800 -0.035 0.000 2.148 254 G HA2 -0.464 3.483 3.960 -0.022 0.000 0.254 254 G HA3 -0.464 3.529 3.960 -0.020 -0.045 0.254 254 G C -1.044 173.849 174.900 -0.012 0.000 0.981 254 G CA 0.558 45.645 45.100 -0.022 0.000 0.670 254 G HN 0.357 8.652 8.290 -0.036 -0.026 0.528 255 S N 0.815 116.511 115.700 -0.006 0.000 2.508 255 S HA 0.280 4.756 4.470 0.011 0.000 0.284 255 S C -1.021 173.583 174.600 0.007 0.000 1.192 255 S CA 0.071 58.278 58.200 0.010 0.000 1.070 255 S CB 1.526 64.747 63.200 0.035 0.000 1.004 255 S HN -0.371 8.175 8.310 -0.012 -0.244 0.493 256 I N 4.417 124.990 120.570 0.005 0.000 2.382 256 I HA 0.312 4.679 4.170 -0.003 -0.199 0.285 256 I C -0.413 175.709 176.117 0.008 0.000 1.007 256 I CA -0.857 60.442 61.300 -0.003 0.000 1.142 256 I CB 1.318 39.305 38.000 -0.023 0.000 1.289 256 I HN 0.418 8.632 8.210 0.007 0.000 0.453 257 I N 9.076 129.658 120.570 0.019 0.000 2.312 257 I HA 0.106 4.291 4.170 0.024 0.000 0.291 257 I C -0.775 175.344 176.117 0.003 0.000 1.031 257 I CA -0.839 60.476 61.300 0.025 0.000 1.293 257 I CB 0.548 38.582 38.000 0.057 0.000 1.403 257 I HN 0.517 8.739 8.210 0.021 0.000 0.484 258 K N 8.144 128.541 120.400 -0.004 0.000 2.368 258 K HA -0.009 4.477 4.320 -0.018 -0.176 0.282 258 K C -0.368 176.223 176.600 -0.014 0.000 1.035 258 K CA 0.733 57.013 56.287 -0.013 0.000 0.973 258 K CB 0.525 33.019 32.500 -0.012 0.000 0.957 258 K HN 0.440 8.689 8.250 -0.001 0.000 0.474 259 V N 7.119 127.021 119.914 -0.020 0.000 2.313 259 V HA 0.143 4.250 4.120 -0.022 0.000 0.262 259 V C -1.382 174.696 176.094 -0.026 0.000 1.011 259 V CA -0.525 61.762 62.300 -0.022 0.000 0.858 259 V CB 0.066 31.876 31.823 -0.022 0.000 1.104 259 V HN 0.353 8.529 8.190 -0.024 0.000 0.456 260 D N 2.619 123.007 120.400 -0.020 0.000 2.539 260 D HA 0.076 4.702 4.640 -0.024 0.000 0.232 260 D C 0.883 177.180 176.300 -0.006 0.000 1.256 260 D CA -0.959 53.031 54.000 -0.017 0.000 0.810 260 D CB 0.786 41.578 40.800 -0.013 0.000 1.090 260 D HN 0.079 8.438 8.370 -0.017 0.000 0.519 261 G N -0.106 108.689 108.800 -0.008 0.000 2.187 261 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.261 261 G HA3 -0.406 3.550 3.960 -0.007 0.000 0.261 261 G C 0.210 175.111 174.900 0.001 0.000 1.000 261 G CA 0.488 45.587 45.100 -0.003 0.000 0.718 261 G HN 0.190 8.473 8.290 -0.012 0.000 0.519 262 G N -3.160 105.641 108.800 0.002 0.000 2.175 262 G HA2 -0.457 3.504 3.960 0.001 0.000 0.244 262 G HA3 -0.457 3.505 3.960 0.003 0.000 0.244 262 G C 1.016 175.923 174.900 0.012 0.000 0.982 262 G CA 0.324 45.427 45.100 0.004 0.000 0.641 262 G HN -0.139 8.366 8.290 -0.001 -0.215 0.527 263 L N 1.620 122.857 121.223 0.023 0.000 2.043 263 L HA -0.290 4.078 4.340 0.046 0.000 0.212 263 L C 1.327 178.226 176.870 0.048 0.000 1.075 263 L CA 2.993 57.861 54.840 0.047 0.000 0.752 263 L CB -0.088 42.014 42.059 0.071 0.000 0.891 263 L HN -0.256 7.827 8.230 0.020 0.159 0.432 264 S N -3.065 112.658 115.700 0.037 0.000 2.507 264 S HA -0.161 4.342 4.470 0.055 0.000 0.235 264 S C 1.182 175.804 174.600 0.037 0.000 0.988 264 S CA 1.955 60.179 58.200 0.041 0.000 0.944 264 S CB -0.327 62.889 63.200 0.027 0.000 0.762 264 S HN -0.399 8.223 8.310 0.028 -0.296 0.526 265 L N -1.067 120.172 121.223 0.027 0.000 2.558 265 L HA 0.090 4.450 4.340 0.034 0.000 0.225 265 L C 0.157 177.038 176.870 0.018 0.000 1.128 265 L CA -0.139 54.716 54.840 0.025 0.000 0.868 265 L CB 0.322 42.391 42.059 0.016 0.000 1.006 265 L HN -0.638 7.550 8.230 0.022 0.055 0.454 266 V N 0.675 120.589 119.914 -0.000 0.000 2.427 266 V HA -0.152 3.899 4.120 -0.115 0.000 0.268 266 V C -0.089 175.986 176.094 -0.031 0.000 1.046 266 V CA -0.324 61.937 62.300 -0.065 0.000 0.970 266 V CB -0.493 31.288 31.823 -0.070 0.000 1.001 266 V HN -0.801 7.336 8.190 0.013 0.060 0.476 267 H N 7.108 126.188 119.070 0.016 0.000 2.660 267 H HA -0.059 4.509 4.556 0.020 0.000 0.374 267 H C -0.151 175.182 175.328 0.007 0.000 1.291 267 H CA -0.944 55.112 56.048 0.014 0.000 1.437 267 H CB -0.102 29.666 29.762 0.011 0.000 1.509 267 H HN -0.019 8.135 8.280 -0.210 0.000 0.614 268 A N 0.000 122.966 122.820 0.243 0.000 2.254 268 A HA 0.000 4.368 4.320 0.079 0.000 0.244 268 A CA 0.000 52.126 52.037 0.147 0.000 0.836 268 A CB 0.000 19.060 19.000 0.100 0.000 0.831 268 A HN 0.000 8.291 8.150 0.235 0.000 0.486