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 2bze_1_A DATA FIRST_RESID -21 DATA SEQUENCE MGSSHHHHHH SSGLVPRGSH MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXVSLP EELNRVRLSR HKLERWCHMP FFAKTVTGCF DATA SEQUENCE VRIGIGNHNS KPVYRVAEIT GVVETAKVYQ LGGTRTNKGL QLRHGNDQRV DATA SEQUENCE FRLEFVSNQE FTESEFMKWK EAMFSAGMQL PTLDEINKKE LSIKEALN 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 -21 M HA 0.000 4.499 4.480 0.032 0.000 0.227 -21 M C 0.000 176.322 176.300 0.037 0.000 1.140 -21 M CA 0.000 55.322 55.300 0.037 0.000 0.988 -21 M CB 0.000 32.614 32.600 0.023 0.000 1.302 -20 G N -0.380 108.444 108.800 0.040 0.000 2.472 -20 G HA2 0.262 4.239 3.960 0.028 0.000 0.199 -20 G HA3 0.262 4.232 3.960 0.016 0.000 0.199 -20 G C -0.288 174.651 174.900 0.066 0.000 1.547 -20 G CA 0.430 45.550 45.100 0.034 0.000 0.701 -20 G HN 0.187 8.500 8.290 0.039 0.000 0.623 -19 S N 3.686 119.429 115.700 0.070 0.000 2.473 -19 S HA 0.131 4.698 4.470 0.161 0.000 0.312 -19 S C -1.226 173.425 174.600 0.084 0.000 1.087 -19 S CA 0.123 58.385 58.200 0.104 0.000 1.077 -19 S CB 0.114 63.358 63.200 0.075 0.000 1.065 -19 S HN 0.026 8.366 8.310 0.049 0.000 0.510 -18 S N 5.249 121.031 115.700 0.136 0.000 2.779 -18 S HA 0.244 4.659 4.470 -0.092 0.000 0.293 -18 S C -1.471 173.133 174.600 0.006 0.000 1.150 -18 S CA -0.082 58.121 58.200 0.004 0.000 1.057 -18 S CB 1.573 64.788 63.200 0.026 0.000 1.021 -18 S HN 0.127 8.601 8.310 0.274 0.000 0.485 -17 H N 0.604 119.687 119.070 0.022 0.000 2.522 -17 H HA -0.354 4.234 4.556 0.052 0.000 0.117 -17 H C -1.836 173.495 175.328 0.004 0.000 0.995 -17 H CA 0.918 56.957 56.048 -0.015 0.000 1.550 -17 H CB -0.483 29.201 29.762 -0.130 0.000 2.120 -17 H HN 0.078 8.225 8.280 -0.222 0.000 0.728 -16 H N -2.833 116.243 119.070 0.011 0.000 2.541 -16 H HA 0.320 4.913 4.556 0.061 0.000 0.316 -16 H C -0.339 174.962 175.328 -0.045 0.000 1.043 -16 H CA -1.168 54.887 56.048 0.011 0.000 1.232 -16 H CB 0.343 30.125 29.762 0.033 0.000 1.406 -16 H HN 0.115 8.586 8.280 0.318 0.000 0.469 -15 H N 6.477 125.609 119.070 0.103 0.000 2.818 -15 H HA 0.061 4.606 4.556 -0.018 0.000 0.269 -15 H C -0.666 174.741 175.328 0.132 0.000 1.277 -15 H CA -0.468 55.613 56.048 0.055 0.000 1.290 -15 H CB -0.303 29.493 29.762 0.057 0.000 1.479 -15 H HN 0.460 8.905 8.280 0.275 0.000 0.507 -14 H N 5.770 124.886 119.070 0.077 0.000 2.854 -14 H HA 0.238 4.891 4.556 0.162 0.000 0.275 -14 H C -1.335 174.082 175.328 0.148 0.000 1.198 -14 H CA 0.494 56.621 56.048 0.131 0.000 1.489 -14 H CB 0.455 30.319 29.762 0.170 0.000 1.519 -14 H HN 0.459 8.779 8.280 0.067 0.000 0.503 -13 H N 5.810 124.794 119.070 -0.145 0.000 2.429 -13 H HA 0.110 4.564 4.556 -0.170 0.000 0.231 -13 H C -1.690 173.569 175.328 -0.114 0.000 1.416 -13 H CA 0.325 56.293 56.048 -0.133 0.000 1.443 -13 H CB 0.153 29.895 29.762 -0.035 0.000 1.591 -13 H HN 0.094 8.424 8.280 0.085 0.000 0.507 -12 H N 5.083 123.923 119.070 -0.383 0.000 2.716 -12 H HA 0.363 4.873 4.556 -0.077 0.000 0.260 -12 H C -0.732 174.474 175.328 -0.204 0.000 1.280 -12 H CA -0.075 55.843 56.048 -0.216 0.000 1.506 -12 H CB 0.441 30.102 29.762 -0.169 0.000 1.514 -12 H HN 0.116 8.032 8.280 -0.607 0.000 0.502 -11 S N 4.691 120.180 115.700 -0.352 0.000 2.456 -11 S HA -0.023 4.321 4.470 -0.210 0.000 0.224 -11 S C -0.224 174.154 174.600 -0.370 0.000 1.035 -11 S CA 0.940 58.969 58.200 -0.285 0.000 0.940 -11 S CB 0.748 63.822 63.200 -0.209 0.000 0.799 -11 S HN 0.562 8.704 8.310 -0.281 0.000 0.508 -10 S N -3.118 112.282 115.700 -0.499 0.000 2.611 -10 S HA 0.062 4.200 4.470 -0.553 0.000 0.270 -10 S C -1.693 172.692 174.600 -0.359 0.000 1.131 -10 S CA -0.160 57.774 58.200 -0.442 0.000 0.826 -10 S CB 0.999 64.085 63.200 -0.190 0.000 1.095 -10 S HN -0.731 7.309 8.310 -0.450 0.000 0.461 -9 G N 0.387 109.090 108.800 -0.160 0.000 2.333 -9 G HA2 -0.006 4.003 3.960 0.082 0.000 0.288 -9 G HA3 -0.006 3.955 3.960 0.001 0.000 0.288 -9 G C -2.284 172.679 174.900 0.105 0.000 1.286 -9 G CA 0.027 45.139 45.100 0.019 0.000 0.865 -9 G HN -0.291 7.931 8.290 -0.113 0.000 0.506 -8 L N 0.476 121.759 121.223 0.100 0.000 2.377 -8 L HA 0.474 4.859 4.340 0.075 0.000 0.270 -8 L C -1.051 175.857 176.870 0.063 0.000 0.991 -8 L CA -0.483 54.398 54.840 0.069 0.000 0.851 -8 L CB 1.613 43.688 42.059 0.027 0.000 1.218 -8 L HN -0.095 8.191 8.230 0.093 0.000 0.420 -7 V N 8.655 128.603 119.914 0.058 0.000 2.508 -7 V HA 0.336 4.465 4.120 0.015 0.000 0.281 -7 V C -1.873 174.225 176.094 0.007 0.000 1.041 -7 V CA -3.021 59.291 62.300 0.019 0.000 1.016 -7 V CB 1.420 33.238 31.823 -0.008 0.000 0.984 -7 V HN 0.302 8.536 8.190 0.074 0.000 0.478 -6 P HA 0.387 4.807 4.420 0.000 0.000 0.284 -6 P C -0.239 177.070 177.300 0.016 0.000 1.292 -6 P CA -0.645 62.457 63.100 0.003 0.000 0.800 -6 P CB 1.172 32.870 31.700 -0.004 0.000 1.188 -5 R N -3.403 117.115 120.500 0.030 0.000 1.804 -5 R HA -0.378 3.997 4.340 0.057 0.000 0.082 -5 R C 1.598 177.949 176.300 0.086 0.000 0.945 -5 R CA 2.497 58.627 56.100 0.049 0.000 1.841 -5 R CB -1.549 28.768 30.300 0.028 0.000 0.352 -5 R HN 0.501 8.787 8.270 0.026 0.000 0.703 -4 G N -1.394 107.448 108.800 0.071 0.000 3.471 -4 G HA2 0.201 4.294 3.960 0.077 0.000 0.254 -4 G HA3 0.201 4.235 3.960 0.124 0.000 0.254 -4 G C -0.940 174.019 174.900 0.097 0.000 1.199 -4 G CA -0.594 44.563 45.100 0.096 0.000 1.683 -4 G HN 0.073 8.373 8.290 0.046 0.018 0.625 -3 S N 0.919 116.674 115.700 0.091 0.000 2.522 -3 S HA -0.122 4.440 4.470 0.007 -0.088 0.227 -3 S C 0.200 174.766 174.600 -0.055 0.000 0.986 -3 S CA 0.690 58.888 58.200 -0.003 0.000 0.929 -3 S CB 0.585 63.744 63.200 -0.069 0.000 0.769 -3 S HN -0.428 7.848 8.310 0.132 0.113 0.529 -2 H N -0.497 118.596 119.070 0.038 0.000 2.408 -2 H HA 0.144 4.725 4.556 0.041 0.000 0.345 -2 H C -1.108 174.256 175.328 0.059 0.000 1.547 -2 H CA 0.052 56.125 56.048 0.043 0.000 1.447 -2 H CB 1.558 31.340 29.762 0.034 0.000 1.686 -2 H HN -0.410 7.986 8.280 0.290 0.058 0.625 346 S N 4.785 120.522 115.700 0.061 0.000 2.701 346 S HA 0.237 4.792 4.470 0.140 0.000 0.242 346 S C -0.806 173.383 174.600 -0.686 0.000 1.025 346 S CA -0.031 58.096 58.200 -0.121 0.000 1.016 346 S CB 1.134 64.320 63.200 -0.023 0.000 0.977 346 S HN 0.200 8.508 8.310 -0.004 0.000 0.546 347 L N 2.419 123.269 121.223 -0.622 0.000 2.341 347 L HA 0.455 4.407 4.340 -0.648 0.000 0.278 347 L C -1.717 174.788 176.870 -0.609 0.000 1.005 347 L CA -3.095 51.389 54.840 -0.594 0.000 0.818 347 L CB 0.990 42.900 42.059 -0.249 0.000 1.259 347 L HN -0.704 7.281 8.230 -0.318 0.053 0.418 348 P HA -0.128 4.375 4.420 0.139 0.000 0.228 348 P C 0.293 177.594 177.300 0.001 0.000 1.151 348 P CA 1.704 64.755 63.100 -0.082 0.000 0.770 348 P CB 0.164 31.890 31.700 0.044 0.000 0.786 349 E N -3.706 116.462 120.200 -0.053 0.000 2.107 349 E HA -0.271 4.098 4.350 0.031 0.000 0.191 349 E C 1.805 178.414 176.600 0.015 0.000 0.982 349 E CA 2.942 59.339 56.400 -0.005 0.000 0.809 349 E CB -0.943 28.740 29.700 -0.029 0.000 0.756 349 E HN 0.502 8.707 8.360 -0.133 0.075 0.459 350 E N -1.096 119.101 120.200 -0.005 0.000 2.216 350 E HA -0.157 4.216 4.350 0.038 0.000 0.192 350 E C 2.411 179.042 176.600 0.051 0.000 0.988 350 E CA 1.644 58.062 56.400 0.030 0.000 0.834 350 E CB -0.360 29.358 29.700 0.029 0.000 0.772 350 E HN -0.601 7.729 8.360 -0.050 0.000 0.479 351 L N -1.392 119.845 121.223 0.024 0.000 2.395 351 L HA -0.150 4.161 4.340 -0.048 0.000 0.218 351 L C 1.173 178.094 176.870 0.085 0.000 1.130 351 L CA 1.742 56.548 54.840 -0.058 0.000 0.826 351 L CB 0.002 41.893 42.059 -0.279 0.000 0.941 351 L HN -0.423 7.713 8.230 0.015 0.103 0.451 352 N N -1.841 116.947 118.700 0.148 0.000 2.376 352 N HA -0.176 4.770 4.740 0.343 0.000 0.177 352 N C 1.893 177.483 175.510 0.132 0.000 1.024 352 N CA 2.137 55.309 53.050 0.204 0.000 0.893 352 N CB 0.190 38.767 38.487 0.149 0.000 0.980 352 N HN -0.301 8.025 8.380 0.095 0.111 0.439 353 R N -0.832 119.732 120.500 0.105 0.000 2.119 353 R HA -0.168 4.221 4.340 0.082 0.000 0.222 353 R C 1.575 177.950 176.300 0.125 0.000 1.088 353 R CA 2.937 59.094 56.100 0.095 0.000 0.984 353 R CB -0.152 30.195 30.300 0.078 0.000 0.884 353 R HN -0.507 7.722 8.270 0.093 0.096 0.447 354 V N -7.873 112.134 119.914 0.153 0.000 3.608 354 V HA 0.051 4.275 4.120 0.174 0.000 0.269 354 V C -0.441 175.788 176.094 0.225 0.000 1.245 354 V CA -1.045 61.371 62.300 0.193 0.000 1.138 354 V CB -0.260 31.706 31.823 0.239 0.000 0.841 354 V HN -0.754 7.521 8.190 0.142 0.000 0.451 355 R N 2.812 123.452 120.500 0.233 0.000 2.522 355 R HA 0.020 4.836 4.340 0.391 -0.241 0.284 355 R C -1.078 175.305 176.300 0.139 0.000 1.032 355 R CA 0.665 56.931 56.100 0.277 0.000 1.049 355 R CB 0.034 30.516 30.300 0.304 0.000 0.956 355 R HN -0.895 7.327 8.270 0.211 0.175 0.422 356 L N 5.806 127.100 121.223 0.118 0.000 2.329 356 L HA 0.407 4.727 4.340 -0.033 0.000 0.279 356 L C -1.255 175.592 176.870 -0.038 0.000 1.014 356 L CA -1.271 53.580 54.840 0.018 0.000 0.814 356 L CB 2.446 44.541 42.059 0.061 0.000 1.257 356 L HN 0.530 8.767 8.230 0.182 0.102 0.424 357 S N 0.911 116.547 115.700 -0.107 0.000 2.722 357 S HA 0.715 5.229 4.470 -0.108 -0.108 0.292 357 S C 1.312 175.880 174.600 -0.052 0.000 1.135 357 S CA -1.992 56.144 58.200 -0.108 0.000 1.003 357 S CB 2.975 66.069 63.200 -0.176 0.000 1.067 357 S HN 0.311 8.531 8.310 -0.150 0.000 0.546 358 R N -0.090 120.426 120.500 0.026 0.000 2.189 358 R HA -0.293 4.064 4.340 0.027 0.000 0.223 358 R C 1.971 178.287 176.300 0.026 0.000 1.092 358 R CA 3.359 59.488 56.100 0.049 0.000 0.989 358 R CB -0.463 29.879 30.300 0.070 0.000 0.876 358 R HN 0.041 8.327 8.270 0.026 0.000 0.457 359 H N -1.488 117.493 119.070 -0.149 0.000 2.423 359 H HA -0.068 4.410 4.556 -0.131 0.000 0.297 359 H C 1.635 176.794 175.328 -0.281 0.000 1.075 359 H CA 2.736 58.683 56.048 -0.169 0.000 1.342 359 H CB 0.108 29.783 29.762 -0.145 0.000 1.395 359 H HN 0.245 8.656 8.280 0.280 0.037 0.530 360 K N -1.026 119.218 120.400 -0.261 0.000 2.116 360 K HA -0.226 3.659 4.320 -0.725 0.000 0.203 360 K C 2.127 178.244 176.600 -0.804 0.000 1.052 360 K CA 2.885 58.752 56.287 -0.701 0.000 0.952 360 K CB 0.041 32.046 32.500 -0.825 0.000 0.729 360 K HN -0.566 7.456 8.250 -0.168 0.127 0.446 361 L N -1.128 119.870 121.223 -0.375 0.000 2.046 361 L HA -0.404 3.882 4.340 -0.089 0.000 0.208 361 L C 1.980 178.729 176.870 -0.201 0.000 1.077 361 L CA 2.896 57.642 54.840 -0.157 0.000 0.747 361 L CB -0.461 41.627 42.059 0.048 0.000 0.896 361 L HN -0.275 7.731 8.230 -0.255 0.071 0.432 362 E N -1.427 118.666 120.200 -0.178 0.000 2.085 362 E HA -0.460 3.830 4.350 -0.099 0.000 0.194 362 E C 1.940 178.416 176.600 -0.206 0.000 0.994 362 E CA 3.114 59.423 56.400 -0.152 0.000 0.801 362 E CB 0.133 29.745 29.700 -0.147 0.000 0.743 362 E HN 0.162 8.313 8.360 -0.159 0.114 0.453 363 R N -4.696 115.645 120.500 -0.265 0.000 2.200 363 R HA -0.049 4.224 4.340 -0.111 0.000 0.208 363 R C 1.804 177.892 176.300 -0.354 0.000 1.033 363 R CA 1.812 57.778 56.100 -0.224 0.000 1.000 363 R CB 0.026 30.247 30.300 -0.131 0.000 0.906 363 R HN -0.661 7.327 8.270 -0.321 0.089 0.462 364 W N -1.983 118.985 121.300 -0.554 0.000 3.290 364 W HA 0.212 4.470 4.660 -0.670 0.000 0.287 364 W C 0.599 176.476 176.519 -1.069 0.000 1.288 364 W CA -1.439 55.440 57.345 -0.777 0.000 1.725 364 W CB -0.800 28.226 29.460 -0.723 0.000 1.103 364 W HN -0.320 7.507 8.180 -0.381 0.125 0.670 365 C N 0.030 118.971 119.300 -0.598 0.000 2.425 365 C HA -0.315 3.882 4.460 -0.439 0.000 0.277 365 C C 0.832 175.666 174.990 -0.260 0.000 1.280 365 C CA 2.200 60.978 59.018 -0.400 0.000 1.744 365 C CB -0.824 26.802 27.740 -0.190 0.000 1.989 365 C HN -0.364 7.381 8.230 -0.485 0.194 0.491 366 H N -3.602 115.400 119.070 -0.114 0.000 2.562 366 H HA 0.098 4.623 4.556 -0.053 0.000 0.267 366 H C 0.113 175.400 175.328 -0.069 0.000 0.959 366 H CA -0.645 55.362 56.048 -0.069 0.000 1.204 366 H CB -0.360 29.370 29.762 -0.054 0.000 1.430 366 H HN -0.216 7.494 8.280 -0.916 0.021 0.545 367 M N 1.008 120.495 119.600 -0.188 0.000 2.167 367 M HA 0.041 4.546 4.480 0.043 0.000 0.300 367 M C -0.473 175.792 176.300 -0.059 0.000 1.171 367 M CA -1.831 53.413 55.300 -0.092 0.000 1.171 367 M CB -1.522 30.947 32.600 -0.218 0.000 1.396 367 M HN -0.238 7.570 8.290 -0.538 0.159 0.466 368 P HA 0.011 4.324 4.420 -0.178 0.000 0.300 368 P C -0.685 176.599 177.300 -0.027 0.000 1.294 368 P CA -0.303 62.672 63.100 -0.208 0.000 0.757 368 P CB 0.368 31.782 31.700 -0.476 0.000 1.377 369 F N -3.248 116.753 119.950 0.085 0.000 2.563 369 F HA -0.130 4.464 4.527 0.112 0.000 0.323 369 F C -0.479 175.354 175.800 0.054 0.000 1.297 369 F CA 0.080 58.120 58.000 0.066 0.000 1.026 369 F CB -2.376 36.620 39.000 -0.006 0.000 1.410 369 F HN -0.128 7.640 8.300 -0.886 0.000 0.656 370 F N -0.014 119.990 119.950 0.090 0.000 2.664 370 F HA 0.185 4.665 4.527 -0.077 0.000 0.296 370 F C 0.403 176.231 175.800 0.046 0.000 1.125 370 F CA -1.760 56.233 58.000 -0.013 0.000 1.444 370 F CB -0.694 38.263 39.000 -0.073 0.000 1.114 370 F HN -0.047 8.631 8.300 0.697 0.041 0.576 371 A N 1.495 123.951 122.820 -0.607 0.000 1.948 371 A HA -0.434 3.402 4.320 -0.806 0.000 0.220 371 A C 1.802 179.236 177.584 -0.249 0.000 1.177 371 A CA 3.420 55.121 52.037 -0.560 0.000 0.636 371 A CB -1.050 17.719 19.000 -0.385 0.000 0.815 371 A HN 0.393 8.231 8.150 -0.444 0.045 0.449 372 K N -3.254 117.059 120.400 -0.146 0.000 2.057 372 K HA -0.217 4.029 4.320 -0.123 0.000 0.206 372 K C 1.543 178.097 176.600 -0.077 0.000 1.050 372 K CA 2.429 58.647 56.287 -0.115 0.000 0.935 372 K CB -0.916 31.503 32.500 -0.136 0.000 0.715 372 K HN 0.010 8.180 8.250 -0.100 0.021 0.439 373 T N 0.186 114.710 114.554 -0.050 0.000 2.788 373 T HA -0.235 4.102 4.350 -0.021 0.000 0.268 373 T C 2.010 176.722 174.700 0.021 0.000 1.044 373 T CA 4.053 66.139 62.100 -0.023 0.000 1.139 373 T CB -0.251 68.580 68.868 -0.060 0.000 0.867 373 T HN -0.844 7.295 8.240 -0.039 0.078 0.454 374 V N -4.416 115.513 119.914 0.025 0.000 2.951 374 V HA 0.043 4.258 4.120 0.157 0.000 0.255 374 V C 0.232 176.309 176.094 -0.029 0.000 1.088 374 V CA 1.444 63.791 62.300 0.077 0.000 1.109 374 V CB -1.392 30.518 31.823 0.146 0.000 0.724 374 V HN -0.071 8.083 8.190 -0.036 0.014 0.471 375 T N 3.909 118.418 114.554 -0.075 0.000 2.829 375 T HA -0.237 4.290 4.350 -0.113 -0.246 0.293 375 T C 0.375 175.011 174.700 -0.106 0.000 0.970 375 T CA 3.009 65.050 62.100 -0.098 0.000 1.168 375 T CB -0.652 68.161 68.868 -0.091 0.000 0.911 375 T HN -0.514 7.544 8.240 -0.085 0.132 0.535 376 G N 6.946 115.635 108.800 -0.186 0.000 2.284 376 G HA2 -0.371 3.517 3.960 -0.120 0.000 0.216 376 G HA3 -0.371 3.437 3.960 -0.254 0.000 0.216 376 G C -0.255 174.395 174.900 -0.418 0.000 1.009 376 G CA -0.220 44.739 45.100 -0.234 0.000 0.625 376 G HN 0.525 8.684 8.290 -0.219 0.000 0.501 377 C N 1.146 120.277 119.300 -0.280 0.000 2.563 377 C HA 0.230 4.634 4.460 -0.092 0.000 0.358 377 C C -1.012 173.713 174.990 -0.442 0.000 1.336 377 C CA 1.342 60.240 59.018 -0.199 0.000 2.454 377 C CB 1.492 29.253 27.740 0.035 0.000 2.448 377 C HN -0.383 7.549 8.230 -0.168 0.197 0.670 378 F N -2.053 117.889 119.950 -0.014 0.000 2.508 378 F HA 0.698 5.315 4.527 -0.090 -0.144 0.325 378 F C -0.813 175.032 175.800 0.074 0.000 1.090 378 F CA -0.778 57.180 58.000 -0.069 0.000 0.945 378 F CB 3.235 42.053 39.000 -0.303 0.000 1.156 378 F HN -0.212 8.231 8.300 0.239 0.000 0.463 379 V N 0.019 120.089 119.914 0.261 0.000 2.864 379 V HA 0.558 4.958 4.120 0.203 -0.159 0.314 379 V C -2.048 174.228 176.094 0.305 0.000 1.073 379 V CA -3.136 59.296 62.300 0.221 0.000 0.956 379 V CB 4.678 36.574 31.823 0.122 0.000 1.023 379 V HN 1.063 9.375 8.190 0.203 0.000 0.435 380 R N 7.020 127.564 120.500 0.073 0.000 2.287 380 R HA 0.271 4.848 4.340 0.178 -0.129 0.327 380 R C -1.835 174.479 176.300 0.023 0.000 1.109 380 R CA -0.858 55.175 56.100 -0.110 0.000 1.013 380 R CB 0.300 30.142 30.300 -0.764 0.000 1.126 380 R HN -0.250 8.007 8.270 -0.022 0.000 0.503 381 I N 6.189 126.834 120.570 0.126 0.000 2.437 381 I HA 0.242 4.455 4.170 0.072 0.000 0.298 381 I C -2.604 173.599 176.117 0.144 0.000 0.984 381 I CA -2.390 58.943 61.300 0.056 0.000 1.214 381 I CB 4.282 42.166 38.000 -0.193 0.000 1.365 381 I HN -0.136 8.196 8.210 0.204 0.000 0.469 382 G N 7.056 115.911 108.800 0.093 0.000 2.384 382 G HA2 0.626 4.344 3.960 -0.404 0.000 0.316 382 G HA3 0.626 4.609 3.960 -0.122 -0.097 0.316 382 G C -1.336 173.426 174.900 -0.231 0.000 1.160 382 G CA -1.035 43.979 45.100 -0.144 0.000 0.936 382 G HN -0.204 8.141 8.290 0.093 0.000 0.455 383 I N 1.374 121.809 120.570 -0.225 0.000 2.411 383 I HA 0.302 4.357 4.170 -0.192 0.000 0.284 383 I C -1.607 174.419 176.117 -0.151 0.000 1.012 383 I CA -1.348 59.842 61.300 -0.185 0.000 1.119 383 I CB 0.079 37.995 38.000 -0.139 0.000 1.261 383 I HN -0.313 7.778 8.210 -0.199 0.000 0.448 384 G N 4.834 113.557 108.800 -0.129 0.000 2.238 384 G HA2 -0.290 3.615 3.960 -0.092 0.000 0.217 384 G HA3 -0.290 3.635 3.960 -0.058 0.000 0.217 384 G C -0.989 173.856 174.900 -0.091 0.000 0.996 384 G CA -0.220 44.825 45.100 -0.091 0.000 0.632 384 G HN 0.430 8.641 8.290 -0.130 0.000 0.503 385 N N 2.166 120.758 118.700 -0.179 0.000 2.434 385 N HA -0.174 4.592 4.740 -0.198 -0.146 0.273 385 N C -0.901 174.613 175.510 0.007 0.000 1.210 385 N CA 0.340 53.265 53.050 -0.209 0.000 0.992 385 N CB -0.443 37.728 38.487 -0.527 0.000 1.355 385 N HN -0.173 7.987 8.380 -0.232 0.082 0.495 386 H N 4.903 123.921 119.070 -0.087 0.000 1.800 386 H HA -0.038 4.506 4.556 -0.019 0.000 0.116 386 H C -1.175 174.135 175.328 -0.030 0.000 0.918 386 H CA 1.025 57.051 56.048 -0.037 0.000 0.417 386 H CB 1.170 30.918 29.762 -0.023 0.000 0.317 386 H HN -0.179 8.105 8.280 0.007 0.000 0.211 387 N N 1.275 120.026 118.700 0.086 0.000 2.476 387 N HA 0.289 5.037 4.740 0.013 0.000 0.257 387 N C 0.065 175.575 175.510 -0.000 0.000 0.970 387 N CA -0.627 52.448 53.050 0.040 0.000 0.938 387 N CB 0.370 38.899 38.487 0.071 0.000 1.144 387 N HN -0.316 8.118 8.380 0.089 0.000 0.500 388 S N 2.020 117.710 115.700 -0.016 0.000 1.694 388 S HA -0.446 4.014 4.470 -0.017 0.000 0.236 388 S C -0.383 174.207 174.600 -0.016 0.000 0.821 388 S CA 2.756 60.947 58.200 -0.015 0.000 1.530 388 S CB -0.532 62.664 63.200 -0.007 0.000 1.703 388 S HN 0.571 8.865 8.310 -0.027 0.000 0.517 389 K N 2.730 123.118 120.400 -0.020 0.000 2.378 389 K HA 0.476 4.790 4.320 -0.009 0.000 0.252 389 K C -2.524 174.048 176.600 -0.047 0.000 0.931 389 K CA -2.739 53.537 56.287 -0.018 0.000 0.794 389 K CB 2.411 34.906 32.500 -0.007 0.000 1.181 389 K HN -0.247 7.924 8.250 -0.021 0.067 0.425 390 P HA -0.008 4.430 4.420 -0.218 -0.148 0.264 390 P C -1.524 175.659 177.300 -0.196 0.000 1.537 390 P CA -0.335 62.690 63.100 -0.124 0.000 1.189 390 P CB -0.987 30.755 31.700 0.070 0.000 1.687 391 V N 5.459 125.207 119.914 -0.276 0.000 2.389 391 V HA -0.046 4.039 4.120 -0.058 0.000 0.264 391 V C -1.504 174.396 176.094 -0.325 0.000 1.049 391 V CA 0.192 62.379 62.300 -0.190 0.000 0.932 391 V CB 0.052 31.804 31.823 -0.118 0.000 1.011 391 V HN -0.317 7.715 8.190 -0.262 0.000 0.475 392 Y N 7.096 127.406 120.300 0.017 0.000 2.446 392 Y HA 0.425 5.127 4.550 0.005 -0.149 0.345 392 Y C -0.851 175.105 175.900 0.093 0.000 0.984 392 Y CA -1.254 56.862 58.100 0.027 0.000 1.058 392 Y CB 3.980 42.438 38.460 -0.004 0.000 1.220 392 Y HN -0.228 8.150 8.280 0.164 0.000 0.455 393 R N -2.178 118.507 120.500 0.308 0.000 2.836 393 R HA 0.341 4.879 4.340 0.329 0.000 0.269 393 R C -2.020 174.566 176.300 0.476 0.000 1.010 393 R CA -1.733 54.566 56.100 0.332 0.000 0.930 393 R CB 4.519 34.907 30.300 0.147 0.000 1.218 393 R HN 0.811 9.263 8.270 0.303 0.000 0.473 394 V N 0.725 120.850 119.914 0.352 0.000 2.555 394 V HA 0.079 4.368 4.120 0.280 0.000 0.286 394 V C -0.870 175.255 176.094 0.051 0.000 1.044 394 V CA 0.090 62.392 62.300 0.004 0.000 1.026 394 V CB -0.585 30.708 31.823 -0.883 0.000 0.981 394 V HN 0.522 8.888 8.190 0.292 0.000 0.480 395 A N 7.247 130.080 122.820 0.022 0.000 2.374 395 A HA 0.569 4.935 4.320 -0.183 -0.156 0.305 395 A C -2.406 175.176 177.584 -0.004 0.000 1.053 395 A CA -1.972 49.985 52.037 -0.133 0.000 0.726 395 A CB 3.529 22.317 19.000 -0.353 0.000 1.229 395 A HN 0.767 9.006 8.150 0.149 0.000 0.431 396 E N 5.050 125.239 120.200 -0.017 0.000 2.313 396 E HA 0.227 4.278 4.350 -0.713 -0.128 0.276 396 E C -0.565 175.916 176.600 -0.198 0.000 1.031 396 E CA -1.434 54.787 56.400 -0.299 0.000 0.857 396 E CB 1.881 31.451 29.700 -0.216 0.000 1.040 396 E HN 0.525 8.806 8.360 0.048 0.108 0.408 397 I N 7.622 128.046 120.570 -0.244 0.000 2.379 397 I HA -0.096 4.043 4.170 -0.051 0.000 0.290 397 I C -0.970 175.078 176.117 -0.114 0.000 1.063 397 I CA 0.401 61.632 61.300 -0.115 0.000 1.351 397 I CB 0.290 38.249 38.000 -0.068 0.000 1.410 397 I HN 0.872 8.843 8.210 -0.398 0.000 0.505 398 T N 6.161 120.677 114.554 -0.063 0.000 3.154 398 T HA 0.338 4.645 4.350 -0.071 0.000 0.381 398 T C 0.133 174.805 174.700 -0.048 0.000 1.368 398 T CA -1.907 60.161 62.100 -0.053 0.000 1.155 398 T CB -0.347 68.504 68.868 -0.027 0.000 1.120 398 T HN 0.647 8.756 8.240 -0.033 0.112 0.570 399 G N 5.768 114.523 108.800 -0.075 0.000 2.804 399 G HA2 -0.475 3.440 3.960 -0.075 0.000 0.230 399 G HA3 -0.475 3.406 3.960 -0.131 0.000 0.230 399 G C -2.489 172.358 174.900 -0.089 0.000 1.386 399 G CA 0.302 45.347 45.100 -0.093 0.000 0.875 399 G HN -0.525 7.713 8.290 -0.088 0.000 0.557 400 V N -0.220 119.632 119.914 -0.103 0.000 2.487 400 V HA 0.664 4.933 4.120 -0.018 -0.161 0.298 400 V C 0.219 176.305 176.094 -0.013 0.000 1.028 400 V CA -1.109 61.153 62.300 -0.064 0.000 0.860 400 V CB 2.879 34.609 31.823 -0.154 0.000 0.991 400 V HN -0.131 7.991 8.190 -0.112 0.000 0.427 401 V N 4.706 124.635 119.914 0.026 0.000 3.096 401 V HA 0.746 4.878 4.120 0.019 0.000 0.319 401 V C -1.919 174.210 176.094 0.058 0.000 1.103 401 V CA -2.917 59.403 62.300 0.032 0.000 1.016 401 V CB 3.632 35.472 31.823 0.028 0.000 1.090 401 V HN 1.117 9.220 8.190 0.047 0.116 0.449 402 E N 0.145 120.375 120.200 0.051 0.000 2.212 402 E HA 0.360 4.840 4.350 0.073 -0.086 0.270 402 E C -1.122 175.517 176.600 0.065 0.000 0.956 402 E CA -2.064 54.372 56.400 0.059 0.000 0.825 402 E CB 2.688 32.413 29.700 0.042 0.000 1.167 402 E HN 0.107 8.489 8.360 0.037 0.000 0.400 403 T N -1.614 112.989 114.554 0.081 0.000 2.925 403 T HA 0.093 4.489 4.350 0.076 0.000 0.285 403 T C 0.123 174.861 174.700 0.064 0.000 1.021 403 T CA -1.889 60.265 62.100 0.090 0.000 1.042 403 T CB 1.830 70.794 68.868 0.161 0.000 1.037 403 T HN 0.423 8.565 8.240 0.078 0.145 0.481 404 A N 0.636 123.491 122.820 0.058 0.000 2.259 404 A HA -0.049 4.291 4.320 0.034 0.000 0.208 404 A C -1.016 176.596 177.584 0.045 0.000 1.201 404 A CA 0.831 52.894 52.037 0.042 0.000 0.824 404 A CB -0.121 18.899 19.000 0.034 0.000 0.838 404 A HN 0.300 8.486 8.150 0.061 0.000 0.485 405 K N 0.024 120.463 120.400 0.065 0.000 2.581 405 K HA 0.193 4.541 4.320 0.046 0.000 0.249 405 K C -2.321 174.327 176.600 0.080 0.000 0.966 405 K CA -1.021 55.308 56.287 0.069 0.000 0.811 405 K CB 2.709 35.260 32.500 0.086 0.000 1.223 405 K HN -0.392 7.825 8.250 0.085 0.083 0.438 406 V N 6.064 125.989 119.914 0.019 0.000 2.583 406 V HA 0.256 4.420 4.120 -0.158 -0.139 0.287 406 V C -1.310 174.781 176.094 -0.005 0.000 1.051 406 V CA -0.645 61.609 62.300 -0.077 0.000 1.010 406 V CB 0.601 32.353 31.823 -0.117 0.000 0.988 406 V HN 0.167 8.364 8.190 0.012 0.000 0.478 407 Y N 4.243 124.546 120.300 0.004 0.000 2.534 407 Y HA 0.346 4.890 4.550 -0.010 0.000 0.329 407 Y C -1.483 174.403 175.900 -0.024 0.000 1.154 407 Y CA -2.564 55.527 58.100 -0.015 0.000 1.192 407 Y CB 1.507 39.947 38.460 -0.033 0.000 1.275 407 Y HN 0.226 8.086 8.280 -0.700 0.000 0.491 408 Q N 1.395 121.309 119.800 0.189 0.000 2.296 408 Q HA 0.114 4.480 4.340 0.043 0.000 0.257 408 Q C -0.988 175.085 176.000 0.120 0.000 0.942 408 Q CA -0.412 55.446 55.803 0.092 0.000 0.939 408 Q CB 0.164 28.932 28.738 0.049 0.000 1.198 408 Q HN 0.172 8.562 8.270 0.199 0.000 0.429 409 L N 4.655 125.928 121.223 0.084 0.000 2.303 409 L HA 0.531 4.893 4.340 0.037 0.000 0.256 409 L C -0.571 176.294 176.870 -0.008 0.000 1.034 409 L CA -1.364 53.511 54.840 0.058 0.000 0.832 409 L CB 4.286 46.418 42.059 0.121 0.000 1.403 409 L HN -0.337 7.918 8.230 0.042 0.000 0.419 410 G N -0.079 108.689 108.800 -0.053 0.000 2.163 410 G HA2 -0.328 3.771 3.960 -0.125 0.000 0.239 410 G HA3 -0.328 3.591 3.960 -0.068 0.000 0.239 410 G C 0.049 174.919 174.900 -0.050 0.000 1.148 410 G CA 0.264 45.317 45.100 -0.078 0.000 0.880 410 G HN 0.182 8.429 8.290 -0.071 0.000 0.466 411 G N 1.683 110.460 108.800 -0.037 0.000 2.472 411 G HA2 -0.168 3.778 3.960 -0.023 0.000 0.291 411 G HA3 -0.168 3.867 3.960 -0.021 -0.087 0.291 411 G C -1.235 173.657 174.900 -0.013 0.000 0.898 411 G CA 1.049 46.135 45.100 -0.023 0.000 1.645 411 G HN 0.123 8.387 8.290 -0.042 0.000 0.459 412 T N 1.855 116.401 114.554 -0.014 0.000 2.896 412 T HA 0.136 4.489 4.350 0.005 0.000 0.297 412 T C -2.002 172.673 174.700 -0.042 0.000 1.108 412 T CA -1.557 60.538 62.100 -0.009 0.000 1.004 412 T CB 1.758 70.629 68.868 0.004 0.000 1.159 412 T HN -0.782 7.404 8.240 -0.020 0.041 0.499 413 R N 3.512 123.977 120.500 -0.058 0.000 2.435 413 R HA 0.682 4.950 4.340 -0.119 0.000 0.308 413 R C -0.861 175.349 176.300 -0.151 0.000 0.975 413 R CA -1.010 55.031 56.100 -0.099 0.000 0.867 413 R CB 1.517 31.779 30.300 -0.063 0.000 1.171 413 R HN 0.244 8.491 8.270 -0.038 0.000 0.470 414 T N 3.318 117.689 114.554 -0.304 0.000 2.912 414 T HA 0.214 4.454 4.350 -0.182 0.000 0.299 414 T C -1.434 172.976 174.700 -0.484 0.000 1.052 414 T CA -1.727 60.174 62.100 -0.330 0.000 0.996 414 T CB 2.401 71.105 68.868 -0.273 0.000 1.070 414 T HN -0.101 7.891 8.240 -0.415 0.000 0.465 415 N N 6.025 124.589 118.700 -0.226 0.000 2.761 415 N HA 0.146 4.777 4.740 -0.182 0.000 0.317 415 N C -1.769 173.729 175.510 -0.019 0.000 1.546 415 N CA -1.023 51.952 53.050 -0.125 0.000 1.015 415 N CB 0.028 38.491 38.487 -0.041 0.000 1.343 415 N HN 0.443 8.742 8.380 -0.135 0.000 0.504 416 K N -1.436 118.958 120.400 -0.009 0.000 2.509 416 K HA 0.315 4.835 4.320 0.122 -0.127 0.266 416 K C -2.253 174.499 176.600 0.254 0.000 0.987 416 K CA -1.514 54.845 56.287 0.119 0.000 0.868 416 K CB 3.260 35.827 32.500 0.112 0.000 1.421 416 K HN -0.924 7.148 8.250 -0.170 0.077 0.444 417 G N -2.439 106.497 108.800 0.226 0.000 2.695 417 G HA2 0.835 4.939 3.960 0.240 0.000 0.290 417 G HA3 0.835 4.989 3.960 0.324 0.000 0.290 417 G C -3.128 171.874 174.900 0.170 0.000 1.410 417 G CA -0.731 44.519 45.100 0.251 0.000 0.844 417 G HN 0.560 8.835 8.290 0.161 0.111 0.478 418 L N -2.513 118.814 121.223 0.174 0.000 2.334 418 L HA 0.608 5.144 4.340 0.058 -0.161 0.270 418 L C -1.448 175.483 176.870 0.101 0.000 1.018 418 L CA -1.226 53.679 54.840 0.109 0.000 0.811 418 L CB 3.475 45.602 42.059 0.114 0.000 1.271 418 L HN -0.280 8.083 8.230 0.222 0.000 0.443 419 Q N 1.421 121.252 119.800 0.052 0.000 2.421 419 Q HA 0.266 4.758 4.340 0.048 -0.123 0.242 419 Q C -0.553 175.481 176.000 0.057 0.000 1.024 419 Q CA -0.809 55.019 55.803 0.043 0.000 0.891 419 Q CB 0.369 29.113 28.738 0.010 0.000 1.222 419 Q HN 0.019 8.303 8.270 0.023 0.000 0.483 420 L N 7.210 128.509 121.223 0.127 0.000 2.399 420 L HA 0.745 5.330 4.340 0.034 -0.224 0.266 420 L C -0.898 175.998 176.870 0.044 0.000 1.114 420 L CA -0.925 53.976 54.840 0.102 0.000 0.804 420 L CB 1.464 43.650 42.059 0.211 0.000 1.146 420 L HN 0.752 9.089 8.230 0.179 0.000 0.451 421 R N -0.375 120.096 120.500 -0.048 0.000 2.533 421 R HA 0.918 5.588 4.340 0.053 -0.298 0.288 421 R C -1.452 174.866 176.300 0.029 0.000 1.039 421 R CA -1.097 55.010 56.100 0.010 0.000 0.909 421 R CB 3.268 33.611 30.300 0.072 0.000 1.195 421 R HN 0.472 8.687 8.270 -0.078 0.008 0.438 422 H N 7.760 126.994 119.070 0.272 0.000 2.690 422 H HA 0.396 5.274 4.556 0.537 0.000 0.280 422 H C -0.035 175.436 175.328 0.239 0.000 1.138 422 H CA -0.597 55.657 56.048 0.342 0.000 1.241 422 H CB -0.054 29.865 29.762 0.263 0.000 1.394 422 H HN -0.293 8.131 8.280 0.239 0.000 0.489 423 G N 6.191 115.182 108.800 0.319 0.000 2.574 423 G HA2 -0.480 3.638 3.960 0.070 0.000 0.301 423 G HA3 -0.480 3.506 3.960 0.043 0.000 0.301 423 G C -0.666 174.314 174.900 0.134 0.000 1.166 423 G CA 1.118 46.293 45.100 0.125 0.000 0.971 423 G HN -0.033 8.540 8.290 0.472 0.000 0.542 424 N N 3.645 122.408 118.700 0.104 0.000 2.936 424 N HA 0.023 4.823 4.740 0.101 0.000 0.243 424 N C -1.857 173.721 175.510 0.113 0.000 1.149 424 N CA -0.865 52.241 53.050 0.093 0.000 0.914 424 N CB -0.560 37.960 38.487 0.054 0.000 1.179 424 N HN 0.145 8.579 8.380 0.090 0.000 0.502 425 D N 2.170 122.662 120.400 0.154 0.000 2.364 425 D HA 0.009 4.727 4.640 0.130 0.000 0.251 425 D C -2.004 174.388 176.300 0.153 0.000 1.282 425 D CA 0.098 54.205 54.000 0.178 0.000 0.927 425 D CB 1.853 42.833 40.800 0.300 0.000 1.267 425 D HN -0.482 7.937 8.370 0.166 0.051 0.531 426 Q N 4.763 124.618 119.800 0.093 0.000 2.390 426 Q HA 0.364 4.909 4.340 0.069 -0.163 0.249 426 Q C -0.903 175.112 176.000 0.025 0.000 0.996 426 Q CA 0.010 55.848 55.803 0.059 0.000 0.899 426 Q CB 1.011 29.772 28.738 0.037 0.000 1.216 426 Q HN 0.367 8.684 8.270 0.078 0.000 0.465 427 R N 6.484 126.991 120.500 0.010 0.000 2.740 427 R HA 0.308 4.570 4.340 -0.130 0.000 0.273 427 R C -2.487 173.676 176.300 -0.229 0.000 0.998 427 R CA -1.357 54.663 56.100 -0.134 0.000 0.900 427 R CB 4.383 34.586 30.300 -0.161 0.000 1.223 427 R HN 0.782 9.086 8.270 0.057 0.000 0.466 428 V N 2.760 122.477 119.914 -0.328 0.000 2.432 428 V HA 0.442 4.720 4.120 -0.066 -0.197 0.275 428 V C -0.611 175.228 176.094 -0.425 0.000 1.043 428 V CA 0.152 62.321 62.300 -0.219 0.000 0.925 428 V CB 0.691 32.462 31.823 -0.086 0.000 0.985 428 V HN 0.269 8.266 8.190 -0.322 0.000 0.466 429 F N 7.848 127.860 119.950 0.103 0.000 2.520 429 F HA 0.310 4.931 4.527 0.158 0.000 0.322 429 F C -1.261 174.654 175.800 0.192 0.000 1.103 429 F CA -1.605 56.490 58.000 0.160 0.000 0.926 429 F CB 3.922 43.013 39.000 0.152 0.000 1.154 429 F HN 0.157 8.594 8.300 0.229 0.000 0.453 430 R N 2.275 123.039 120.500 0.439 0.000 2.490 430 R HA 0.001 4.396 4.340 0.091 0.000 0.278 430 R C 1.448 177.734 176.300 -0.024 0.000 1.069 430 R CA -0.179 55.918 56.100 -0.004 0.000 1.080 430 R CB 0.562 30.530 30.300 -0.553 0.000 1.030 430 R HN 0.487 9.193 8.270 0.726 0.000 0.491 431 L N 2.821 124.052 121.223 0.012 0.000 2.189 431 L HA -0.421 4.007 4.340 0.146 0.000 0.214 431 L C 1.758 178.602 176.870 -0.043 0.000 1.097 431 L CA 3.352 58.252 54.840 0.101 0.000 0.764 431 L CB -0.702 41.500 42.059 0.238 0.000 0.900 431 L HN 0.278 8.625 8.230 0.195 0.000 0.436 432 E N -2.371 117.649 120.200 -0.300 0.000 2.204 432 E HA -0.292 3.946 4.350 -0.187 0.000 0.195 432 E C 0.580 176.986 176.600 -0.323 0.000 0.990 432 E CA 2.086 58.258 56.400 -0.379 0.000 0.821 432 E CB -0.896 28.421 29.700 -0.639 0.000 0.750 432 E HN 0.069 8.059 8.360 -0.529 0.052 0.477 433 F N -3.484 116.457 119.950 -0.015 0.000 2.797 433 F HA 0.070 4.611 4.527 0.024 0.000 0.302 433 F C -0.520 175.299 175.800 0.032 0.000 1.130 433 F CA 0.778 58.787 58.000 0.015 0.000 1.387 433 F CB 0.217 39.234 39.000 0.027 0.000 1.107 433 F HN -0.440 7.596 8.300 -0.190 0.149 0.577 434 V N 0.449 120.459 119.914 0.161 0.000 2.649 434 V HA -0.014 4.282 4.120 0.126 -0.100 0.292 434 V C -0.516 175.634 176.094 0.093 0.000 1.055 434 V CA 0.396 62.767 62.300 0.117 0.000 1.023 434 V CB 0.882 32.756 31.823 0.085 0.000 0.992 434 V HN -0.673 7.382 8.190 0.095 0.192 0.480 435 S N 4.131 119.848 115.700 0.029 0.000 2.645 435 S HA 0.103 4.542 4.470 -0.052 0.000 0.266 435 S C -0.656 173.836 174.600 -0.179 0.000 1.258 435 S CA -0.689 57.433 58.200 -0.131 0.000 0.990 435 S CB 1.402 64.296 63.200 -0.510 0.000 0.967 435 S HN 0.660 8.983 8.310 0.021 0.000 0.556 436 N N -0.432 118.122 118.700 -0.243 0.000 2.194 436 N HA 0.192 4.761 4.740 -0.286 0.000 0.231 436 N C -0.035 175.272 175.510 -0.339 0.000 1.247 436 N CA -0.451 52.413 53.050 -0.309 0.000 0.884 436 N CB 1.066 39.278 38.487 -0.459 0.000 1.146 436 N HN 0.329 8.556 8.380 -0.255 0.000 0.516 437 Q N -0.119 119.453 119.800 -0.381 0.000 2.166 437 Q HA 0.140 4.316 4.340 -0.274 0.000 0.226 437 Q C -0.239 175.536 176.000 -0.375 0.000 0.989 437 Q CA -1.295 54.299 55.803 -0.350 0.000 0.966 437 Q CB 1.250 29.765 28.738 -0.371 0.000 1.173 437 Q HN -0.329 7.609 8.270 -0.454 0.060 0.509 438 E N -1.529 118.505 120.200 -0.277 0.000 2.283 438 E HA 0.025 4.239 4.350 -0.228 0.000 0.267 438 E C -0.372 176.092 176.600 -0.227 0.000 1.045 438 E CA -0.937 55.335 56.400 -0.214 0.000 0.884 438 E CB 0.977 30.623 29.700 -0.090 0.000 1.106 438 E HN 0.081 8.308 8.360 -0.221 0.000 0.408 439 F N -0.140 119.781 119.950 -0.048 0.000 2.406 439 F HA -0.027 4.717 4.527 -0.016 -0.227 0.327 439 F C 0.282 176.090 175.800 0.013 0.000 1.153 439 F CA 0.945 58.941 58.000 -0.008 0.000 1.218 439 F CB 1.367 40.381 39.000 0.023 0.000 1.215 439 F HN 0.416 9.211 8.300 0.085 -0.443 0.570 440 T N -5.894 108.836 114.554 0.294 0.000 2.910 440 T HA 0.191 4.616 4.350 0.126 0.000 0.287 440 T C 0.330 175.146 174.700 0.194 0.000 1.050 440 T CA -2.504 59.702 62.100 0.176 0.000 1.011 440 T CB 3.345 72.289 68.868 0.127 0.000 1.195 440 T HN -0.379 8.317 8.240 0.387 -0.223 0.540 441 E N 1.393 121.665 120.200 0.120 0.000 2.153 441 E HA -0.431 3.989 4.350 0.118 0.000 0.194 441 E C 1.653 178.353 176.600 0.167 0.000 0.988 441 E CA 3.709 60.178 56.400 0.114 0.000 0.811 441 E CB -0.834 28.891 29.700 0.042 0.000 0.746 441 E HN 0.432 8.841 8.360 0.082 0.000 0.466 442 S N -0.154 115.630 115.700 0.141 0.000 2.356 442 S HA -0.289 4.246 4.470 0.108 0.000 0.223 442 S C 2.158 176.862 174.600 0.173 0.000 1.032 442 S CA 3.039 61.317 58.200 0.131 0.000 1.005 442 S CB -0.488 62.775 63.200 0.105 0.000 0.867 442 S HN 0.011 8.372 8.310 0.123 0.022 0.449 443 E N 1.922 122.257 120.200 0.224 0.000 2.072 443 E HA -0.291 4.199 4.350 0.233 0.000 0.191 443 E C 2.437 179.191 176.600 0.258 0.000 0.985 443 E CA 2.864 59.426 56.400 0.271 0.000 0.801 443 E CB -0.048 29.894 29.700 0.404 0.000 0.750 443 E HN -0.673 7.821 8.360 0.224 0.000 0.452 444 F N 2.010 122.027 119.950 0.112 0.000 2.102 444 F HA -0.369 4.212 4.527 0.089 0.000 0.298 444 F C 1.503 177.411 175.800 0.180 0.000 1.105 444 F CA 3.801 61.867 58.000 0.111 0.000 1.239 444 F CB 0.443 39.468 39.000 0.042 0.000 0.991 444 F HN 0.222 8.746 8.300 0.374 0.000 0.474 445 M N -2.328 117.484 119.600 0.354 0.000 2.296 445 M HA -0.353 4.263 4.480 0.226 0.000 0.265 445 M C 2.288 178.633 176.300 0.076 0.000 1.064 445 M CA 1.664 57.081 55.300 0.195 0.000 1.109 445 M CB -1.389 31.295 32.600 0.140 0.000 1.396 445 M HN 0.411 8.803 8.290 0.357 0.113 0.430 446 K N 0.805 121.269 120.400 0.107 0.000 2.103 446 K HA -0.115 4.426 4.320 0.039 -0.198 0.204 446 K C 2.263 178.917 176.600 0.091 0.000 1.052 446 K CA 2.085 58.420 56.287 0.080 0.000 0.945 446 K CB -0.627 31.937 32.500 0.105 0.000 0.722 446 K HN -0.394 7.846 8.250 0.151 0.100 0.443 447 W N 0.763 122.012 121.300 -0.085 0.000 2.409 447 W HA -0.275 4.379 4.660 -0.009 0.000 0.299 447 W C 1.314 177.746 176.519 -0.146 0.000 1.203 447 W CA 3.903 61.178 57.345 -0.116 0.000 1.298 447 W CB 0.040 29.354 29.460 -0.242 0.000 1.127 447 W HN -0.112 8.133 8.180 0.243 0.082 0.528 448 K N 1.032 121.127 120.400 -0.508 0.000 2.044 448 K HA -0.497 3.254 4.320 -0.949 0.000 0.210 448 K C 1.743 178.167 176.600 -0.293 0.000 1.049 448 K CA 3.417 59.373 56.287 -0.551 0.000 0.927 448 K CB -0.693 31.678 32.500 -0.214 0.000 0.713 448 K HN 0.515 8.517 8.250 -0.228 0.112 0.443 449 E N -2.656 117.446 120.200 -0.163 0.000 2.204 449 E HA -0.357 3.937 4.350 -0.093 0.000 0.194 449 E C 1.630 178.214 176.600 -0.026 0.000 0.989 449 E CA 2.901 59.249 56.400 -0.086 0.000 0.824 449 E CB -0.585 29.068 29.700 -0.077 0.000 0.756 449 E HN -0.019 8.162 8.360 -0.127 0.103 0.477 450 A N -0.567 122.204 122.820 -0.082 0.000 1.872 450 A HA -0.254 4.075 4.320 0.015 0.000 0.214 450 A C 2.120 179.660 177.584 -0.073 0.000 1.187 450 A CA 2.848 54.866 52.037 -0.031 0.000 0.614 450 A CB -0.401 18.629 19.000 0.049 0.000 0.826 450 A HN -0.863 7.059 8.150 -0.135 0.147 0.442 451 M N -1.919 117.527 119.600 -0.257 0.000 2.117 451 M HA -0.346 4.047 4.480 -0.146 0.000 0.262 451 M C 2.123 178.356 176.300 -0.112 0.000 1.065 451 M CA 1.974 57.124 55.300 -0.251 0.000 1.114 451 M CB -1.122 31.144 32.600 -0.557 0.000 1.361 451 M HN 0.169 8.181 8.290 -0.462 0.000 0.408 452 F N 1.133 120.949 119.950 -0.223 0.000 2.102 452 F HA -0.396 4.054 4.527 -0.128 0.000 0.298 452 F C 2.261 178.007 175.800 -0.089 0.000 1.105 452 F CA 3.749 61.665 58.000 -0.140 0.000 1.239 452 F CB 0.286 39.209 39.000 -0.130 0.000 0.991 452 F HN 0.470 8.658 8.300 -0.008 0.107 0.474 453 S N -1.590 114.209 115.700 0.165 0.000 2.481 453 S HA -0.195 4.350 4.470 0.125 0.000 0.231 453 S C 0.974 175.577 174.600 0.005 0.000 0.996 453 S CA 2.465 60.722 58.200 0.095 0.000 0.942 453 S CB -0.143 63.111 63.200 0.091 0.000 0.768 453 S HN -0.057 8.243 8.310 0.172 0.113 0.520 454 A N -1.415 121.393 122.820 -0.020 0.000 2.147 454 A HA 0.038 4.353 4.320 -0.009 0.000 0.211 454 A C 0.197 177.743 177.584 -0.063 0.000 1.160 454 A CA 0.405 52.427 52.037 -0.026 0.000 0.781 454 A CB 0.522 19.518 19.000 -0.007 0.000 0.842 454 A HN -0.880 7.083 8.150 -0.021 0.174 0.475 455 G N -2.592 106.134 108.800 -0.122 0.000 2.157 455 G HA2 -0.384 3.503 3.960 -0.122 0.000 0.248 455 G HA3 -0.384 3.425 3.960 -0.251 0.000 0.248 455 G C -0.431 174.395 174.900 -0.124 0.000 0.979 455 G CA -0.086 44.919 45.100 -0.159 0.000 0.650 455 G HN -0.345 7.690 8.290 -0.140 0.171 0.529 456 M N 1.624 121.165 119.600 -0.097 0.000 2.277 456 M HA 0.110 4.564 4.480 -0.043 0.000 0.350 456 M C -1.300 174.953 176.300 -0.078 0.000 1.180 456 M CA 0.014 55.279 55.300 -0.058 0.000 1.103 456 M CB 1.340 33.933 32.600 -0.012 0.000 1.577 456 M HN -0.162 8.027 8.290 -0.098 0.043 0.459 457 Q N 1.421 121.200 119.800 -0.035 0.000 2.306 457 Q HA 0.043 4.349 4.340 -0.057 0.000 0.241 457 Q C -1.715 174.289 176.000 0.007 0.000 0.948 457 Q CA -0.676 55.113 55.803 -0.024 0.000 0.886 457 Q CB 0.507 29.248 28.738 0.005 0.000 1.227 457 Q HN 0.053 8.318 8.270 -0.008 0.000 0.457 458 L N 1.869 123.090 121.223 -0.003 0.000 2.452 458 L HA 0.202 4.544 4.340 0.003 0.000 0.267 458 L C -0.780 176.194 176.870 0.173 0.000 1.188 458 L CA -1.815 53.053 54.840 0.047 0.000 0.821 458 L CB -1.810 40.267 42.059 0.029 0.000 1.102 458 L HN 0.390 8.616 8.230 -0.007 0.000 0.470 459 P HA 0.175 4.829 4.420 0.220 -0.102 0.274 459 P C -0.895 176.528 177.300 0.205 0.000 1.246 459 P CA -0.834 62.425 63.100 0.265 0.000 0.795 459 P CB 1.135 33.060 31.700 0.374 0.000 1.006 460 T N -2.003 112.649 114.554 0.163 0.000 2.918 460 T HA 0.496 5.121 4.350 0.143 -0.190 0.283 460 T C 1.748 176.528 174.700 0.134 0.000 1.001 460 T CA -2.260 59.921 62.100 0.135 0.000 1.041 460 T CB 2.475 71.400 68.868 0.095 0.000 1.028 460 T HN 0.646 9.464 8.240 0.155 -0.485 0.511 461 L N 0.117 121.416 121.223 0.125 0.000 2.362 461 L HA -0.161 4.246 4.340 0.113 0.000 0.219 461 L C 1.734 178.657 176.870 0.089 0.000 1.134 461 L CA 2.475 57.380 54.840 0.108 0.000 0.807 461 L CB -1.621 40.496 42.059 0.097 0.000 0.927 461 L HN 0.231 8.542 8.230 0.136 0.000 0.447 462 D N -0.156 120.291 120.400 0.079 0.000 2.123 462 D HA -0.289 4.382 4.640 0.053 0.000 0.200 462 D C 1.717 178.053 176.300 0.060 0.000 0.976 462 D CA 4.083 58.116 54.000 0.056 0.000 0.831 462 D CB 0.225 41.044 40.800 0.032 0.000 0.974 462 D HN -0.405 7.968 8.370 0.084 0.047 0.469 463 E N 0.225 120.469 120.200 0.074 0.000 2.072 463 E HA -0.277 4.109 4.350 0.060 0.000 0.191 463 E C 2.752 179.417 176.600 0.108 0.000 0.985 463 E CA 2.763 59.214 56.400 0.085 0.000 0.801 463 E CB -0.008 29.759 29.700 0.111 0.000 0.750 463 E HN -0.823 7.487 8.360 0.083 0.100 0.452 464 I N -1.284 119.364 120.570 0.130 0.000 2.208 464 I HA -0.480 3.791 4.170 0.168 0.000 0.245 464 I C 1.441 177.621 176.117 0.105 0.000 1.097 464 I CA 3.079 64.462 61.300 0.137 0.000 1.363 464 I CB -1.462 36.618 38.000 0.132 0.000 1.051 464 I HN -0.129 8.159 8.210 0.131 0.000 0.413 465 N N 0.363 119.114 118.700 0.085 0.000 2.084 465 N HA -0.339 4.649 4.740 0.069 -0.206 0.190 465 N C 2.251 177.802 175.510 0.068 0.000 1.030 465 N CA 3.470 56.562 53.050 0.069 0.000 0.849 465 N CB 0.151 38.672 38.487 0.057 0.000 1.012 465 N HN -0.190 8.147 8.380 0.084 0.093 0.423 466 K N -0.579 119.861 120.400 0.066 0.000 2.097 466 K HA -0.242 4.111 4.320 0.056 0.000 0.206 466 K C 2.599 179.238 176.600 0.065 0.000 1.049 466 K CA 2.380 58.703 56.287 0.060 0.000 0.933 466 K CB -0.503 32.029 32.500 0.054 0.000 0.717 466 K HN 0.079 8.295 8.250 0.066 0.073 0.442 467 K N -0.832 119.615 120.400 0.079 0.000 2.001 467 K HA -0.220 4.144 4.320 0.073 0.000 0.208 467 K C 2.393 179.055 176.600 0.104 0.000 1.048 467 K CA 2.803 59.143 56.287 0.089 0.000 0.932 467 K CB -0.237 32.328 32.500 0.108 0.000 0.715 467 K HN 0.310 8.504 8.250 0.086 0.107 0.437 468 E N -0.303 119.961 120.200 0.106 0.000 2.153 468 E HA -0.301 4.126 4.350 0.128 0.000 0.194 468 E C 2.523 179.178 176.600 0.093 0.000 0.988 468 E CA 2.604 59.068 56.400 0.107 0.000 0.811 468 E CB -0.583 29.174 29.700 0.094 0.000 0.746 468 E HN 0.234 8.547 8.360 0.104 0.109 0.466 469 L N -0.006 121.262 121.223 0.076 0.000 2.072 469 L HA -0.144 4.232 4.340 0.061 0.000 0.205 469 L C 1.955 178.859 176.870 0.056 0.000 1.079 469 L CA 2.651 57.528 54.840 0.062 0.000 0.752 469 L CB -0.801 41.289 42.059 0.052 0.000 0.906 469 L HN 0.152 8.414 8.230 0.074 0.013 0.436 470 S N -0.578 115.156 115.700 0.056 0.000 2.402 470 S HA -0.211 4.270 4.470 0.018 0.000 0.229 470 S C 2.356 176.977 174.600 0.034 0.000 1.021 470 S CA 2.649 60.870 58.200 0.034 0.000 0.974 470 S CB -0.460 62.759 63.200 0.031 0.000 0.800 470 S HN -0.221 8.031 8.310 0.064 0.096 0.484 471 I N 0.960 121.592 120.570 0.104 0.000 2.179 471 I HA -0.431 3.875 4.170 0.227 0.000 0.242 471 I C 1.386 177.608 176.117 0.175 0.000 1.088 471 I CA 2.119 63.540 61.300 0.202 0.000 1.357 471 I CB -0.879 37.281 38.000 0.267 0.000 1.051 471 I HN 0.306 8.475 8.210 0.110 0.107 0.409 472 K N -0.833 119.640 120.400 0.122 0.000 2.211 472 K HA -0.282 4.122 4.320 0.140 0.000 0.203 472 K C 2.568 179.205 176.600 0.060 0.000 1.050 472 K CA 3.234 59.583 56.287 0.103 0.000 0.945 472 K CB -0.626 31.921 32.500 0.079 0.000 0.732 472 K HN -0.400 7.915 8.250 0.108 0.000 0.451 473 E N 0.173 120.389 120.200 0.026 0.000 2.216 473 E HA -0.217 4.135 4.350 0.004 0.000 0.192 473 E C 1.618 178.180 176.600 -0.064 0.000 0.988 473 E CA 2.148 58.543 56.400 -0.009 0.000 0.834 473 E CB -0.263 29.431 29.700 -0.010 0.000 0.772 473 E HN -0.375 7.893 8.360 0.033 0.111 0.479 474 A N -1.421 121.319 122.820 -0.133 0.000 1.897 474 A HA -0.183 3.940 4.320 -0.327 0.000 0.215 474 A C 1.555 178.982 177.584 -0.261 0.000 1.181 474 A CA 2.587 54.406 52.037 -0.365 0.000 0.620 474 A CB 0.311 18.822 19.000 -0.814 0.000 0.821 474 A HN -0.228 7.752 8.150 -0.088 0.118 0.443 475 L N -5.605 115.641 121.223 0.038 0.000 2.270 475 L HA 0.004 4.533 4.340 0.316 0.000 0.210 475 L C -0.178 176.763 176.870 0.118 0.000 1.104 475 L CA 1.618 56.603 54.840 0.242 0.000 0.804 475 L CB -0.401 41.906 42.059 0.413 0.000 0.937 475 L HN -0.463 7.821 8.230 0.090 0.000 0.450 476 N N 0.000 118.738 118.700 0.063 0.000 1.763 476 N HA 0.000 4.767 4.740 0.046 0.000 0.220 476 N CA 0.000 53.075 53.050 0.041 0.000 0.885 476 N CB 0.000 38.516 38.487 0.048 0.000 1.341 476 N HN 0.000 8.387 8.380 0.051 0.024 0.667