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 2qbk_1_G DATA FIRST_RESID 1 DATA SEQUENCE SRVAKAPVVV PAGVDVKING QVITIKGKNG ELTRTLNDAV EVKHADNTLT DATA SEQUENCE FGPRDGYADG WAQAGTARAL LNSMVIGVTE GFTKKLQLVG VGYRAAVKGN DATA SEQUENCE VINLSLGFSH PVDHQLPAGI TAECPTQTEI VLKGADKQVI GQVAADLRAY DATA SEQUENCE RRPEPYKGKG VRYADEVVRT KEAKKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1 S C 0.000 174.200 174.600 -0.666 0.000 1.055 1 S CA 0.000 57.253 58.200 -1.578 0.000 1.107 1 S CB 0.000 62.433 63.200 -1.279 0.000 0.593 2 R N -0.627 119.578 120.500 -0.492 0.000 3.374 2 R HA -0.314 4.026 4.340 -0.000 0.000 0.294 2 R C 1.714 177.924 176.300 -0.150 0.000 0.751 2 R CA 2.971 58.929 56.100 -0.237 0.000 1.019 2 R CB -2.269 27.919 30.300 -0.186 0.000 0.685 2 R HN 1.127 9.397 8.270 -0.000 0.000 0.480 3 V N -2.060 117.778 119.914 -0.126 0.000 2.720 3 V HA -0.023 4.097 4.120 -0.000 0.000 0.256 3 V C 1.999 178.087 176.094 -0.011 0.000 1.082 3 V CA 2.330 64.596 62.300 -0.057 0.000 1.101 3 V CB -0.786 31.001 31.823 -0.060 0.000 0.693 3 V HN 0.618 8.808 8.190 -0.000 0.000 0.479 4 A N 0.342 123.132 122.820 -0.050 0.000 2.066 4 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 4 A C 2.082 179.808 177.584 0.238 0.000 1.157 4 A CA 1.241 53.350 52.037 0.119 0.000 0.670 4 A CB -0.386 18.704 19.000 0.150 0.000 0.804 4 A HN 0.640 8.790 8.150 -0.000 0.000 0.453 5 K N 0.359 120.811 120.400 0.085 0.000 2.469 5 K HA 0.386 4.706 4.320 -0.000 0.000 0.201 5 K C 0.398 177.062 176.600 0.107 0.000 1.028 5 K CA 0.126 56.498 56.287 0.141 0.000 1.170 5 K CB 0.142 32.684 32.500 0.071 0.000 0.874 5 K HN 0.412 8.662 8.250 -0.000 0.000 0.507 6 A N 2.134 125.028 122.820 0.123 0.000 2.425 6 A HA 0.160 4.480 4.320 -0.000 0.000 0.242 6 A C -1.528 176.125 177.584 0.114 0.000 1.077 6 A CA -1.038 51.063 52.037 0.107 0.000 0.781 6 A CB 0.162 19.230 19.000 0.114 0.000 1.020 6 A HN 0.001 8.151 8.150 -0.000 0.000 0.494 7 P HA -0.035 4.385 4.420 -0.000 0.000 0.215 7 P C 0.910 178.243 177.300 0.055 0.000 1.157 7 P CA 2.052 65.184 63.100 0.053 0.000 0.868 7 P CB 0.052 31.776 31.700 0.040 0.000 0.788 8 V N -5.258 114.712 119.914 0.093 0.000 0.444 8 V HA -0.251 3.869 4.120 -0.000 0.000 0.092 8 V C 0.415 176.551 176.094 0.070 0.000 2.547 8 V CA 0.757 63.127 62.300 0.117 0.000 3.716 8 V CB -1.895 29.968 31.823 0.067 0.000 0.988 8 V HN -0.068 8.122 8.190 -0.000 0.000 1.038 9 V N -0.015 119.924 119.914 0.041 0.000 3.548 9 V HA -0.180 3.940 4.120 -0.000 0.000 0.496 9 V C -0.180 175.932 176.094 0.029 0.000 0.682 9 V CA 0.959 63.278 62.300 0.031 0.000 2.033 9 V CB -0.353 31.489 31.823 0.031 0.000 2.463 9 V HN 0.982 9.172 8.190 -0.000 0.000 0.506 10 V N 8.152 128.082 119.914 0.027 0.000 2.235 10 V HA 0.262 4.382 4.120 -0.000 0.000 0.266 10 V C -0.978 175.132 176.094 0.026 0.000 1.055 10 V CA -0.947 61.371 62.300 0.029 0.000 0.844 10 V CB 1.137 32.988 31.823 0.047 0.000 1.097 10 V HN 0.823 9.013 8.190 -0.000 0.000 0.453 11 P HA 0.063 4.483 4.420 -0.000 0.000 0.316 11 P C 0.006 177.312 177.300 0.010 0.000 1.413 11 P CA 0.340 63.446 63.100 0.010 0.000 0.828 11 P CB 0.439 32.140 31.700 0.002 0.000 1.787 12 A N -1.770 121.052 122.820 0.003 0.000 2.294 12 A HA 0.548 4.868 4.320 -0.000 0.000 0.330 12 A C 1.041 178.626 177.584 0.000 0.000 1.133 12 A CA -0.033 52.005 52.037 0.002 0.000 0.836 12 A CB 0.007 19.006 19.000 -0.001 0.000 1.190 12 A HN 0.758 8.908 8.150 -0.000 0.000 0.492 13 G N -0.559 108.242 108.800 0.002 0.000 2.180 13 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.263 13 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.263 13 G C 0.416 175.318 174.900 0.003 0.000 0.989 13 G CA 0.681 45.781 45.100 0.000 0.000 0.692 13 G HN 2.137 10.427 8.290 -0.000 0.000 0.526 14 V N -1.241 118.678 119.914 0.009 0.000 2.389 14 V HA 0.570 4.690 4.120 -0.000 0.000 0.264 14 V C 1.236 177.345 176.094 0.026 0.000 1.049 14 V CA 0.189 62.498 62.300 0.014 0.000 0.932 14 V CB 1.181 33.015 31.823 0.018 0.000 1.011 14 V HN 0.342 8.532 8.190 -0.000 0.000 0.475 15 D N 4.990 125.403 120.400 0.022 0.000 2.108 15 D HA -0.159 4.481 4.640 -0.000 0.000 0.190 15 D C 0.394 176.722 176.300 0.047 0.000 0.995 15 D CA 2.050 56.068 54.000 0.029 0.000 0.834 15 D CB -0.009 40.804 40.800 0.021 0.000 0.967 15 D HN 0.903 9.273 8.370 -0.000 0.000 0.446 16 V N -0.791 119.143 119.914 0.034 0.000 3.480 16 V HA -0.184 3.936 4.120 -0.000 0.000 0.494 16 V C -0.323 175.795 176.094 0.040 0.000 0.682 16 V CA 0.907 63.220 62.300 0.022 0.000 2.039 16 V CB -1.309 30.554 31.823 0.067 0.000 2.474 16 V HN 0.670 8.860 8.190 -0.000 0.000 0.505 17 K N 4.673 125.081 120.400 0.012 0.000 2.508 17 K HA 0.950 5.270 4.320 -0.000 0.000 0.260 17 K C -1.128 175.481 176.600 0.014 0.000 0.949 17 K CA -0.546 55.757 56.287 0.027 0.000 0.834 17 K CB 2.401 34.916 32.500 0.025 0.000 1.365 17 K HN 0.978 9.228 8.250 -0.000 0.000 0.437 18 I N 2.218 122.805 120.570 0.028 0.000 2.724 18 I HA 0.373 4.543 4.170 -0.000 0.000 0.284 18 I C -2.115 174.019 176.117 0.028 0.000 1.388 18 I CA -0.321 60.993 61.300 0.024 0.000 1.081 18 I CB 1.488 39.498 38.000 0.017 0.000 1.368 18 I HN 0.731 8.941 8.210 -0.000 0.000 0.429 19 N N 6.177 124.891 118.700 0.023 0.000 2.804 19 N HA 0.638 5.378 4.740 -0.000 0.000 0.251 19 N C 0.478 175.999 175.510 0.017 0.000 1.250 19 N CA 0.244 53.306 53.050 0.020 0.000 0.820 19 N CB 1.773 40.271 38.487 0.018 0.000 1.156 19 N HN 0.976 9.356 8.380 -0.000 0.000 0.512 20 G N 0.835 109.646 108.800 0.018 0.000 4.526 20 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.217 20 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.217 20 G C 0.739 175.648 174.900 0.014 0.000 1.428 20 G CA 0.310 45.419 45.100 0.015 0.000 0.928 20 G HN 0.437 8.727 8.290 -0.000 0.000 0.639 21 Q N -0.716 119.092 119.800 0.013 0.000 2.104 21 Q HA 0.319 4.659 4.340 -0.000 0.000 0.240 21 Q C 0.904 176.914 176.000 0.016 0.000 0.743 21 Q CA 0.678 56.488 55.803 0.011 0.000 0.920 21 Q CB 1.313 30.050 28.738 -0.002 0.000 1.198 21 Q HN 0.559 8.829 8.270 -0.000 0.000 0.465 22 V N 2.381 122.304 119.914 0.015 0.000 2.715 22 V HA 0.253 4.373 4.120 -0.000 0.000 0.299 22 V C 0.338 176.445 176.094 0.022 0.000 1.054 22 V CA 0.374 62.684 62.300 0.016 0.000 1.077 22 V CB 0.770 32.601 31.823 0.014 0.000 0.972 22 V HN 0.094 8.284 8.190 -0.000 0.000 0.484 23 I N 3.274 123.859 120.570 0.024 0.000 2.607 23 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 23 I C -0.269 175.863 176.117 0.024 0.000 1.129 23 I CA -0.216 61.100 61.300 0.027 0.000 1.042 23 I CB 2.596 40.622 38.000 0.044 0.000 1.242 23 I HN 0.780 8.990 8.210 -0.000 0.000 0.421 24 T N 4.035 118.602 114.554 0.021 0.000 2.893 24 T HA 0.810 5.160 4.350 -0.000 0.000 0.291 24 T C -0.967 173.745 174.700 0.020 0.000 1.028 24 T CA -0.581 61.531 62.100 0.021 0.000 0.995 24 T CB 1.735 70.614 68.868 0.019 0.000 1.051 24 T HN 0.219 8.459 8.240 -0.000 0.000 0.470 25 I N 3.023 123.606 120.570 0.021 0.000 2.439 25 I HA 0.497 4.667 4.170 -0.000 0.000 0.285 25 I C -0.061 176.064 176.117 0.013 0.000 1.021 25 I CA -0.599 60.712 61.300 0.018 0.000 1.091 25 I CB 1.859 39.872 38.000 0.021 0.000 1.242 25 I HN 0.630 8.840 8.210 -0.000 0.000 0.439 26 K N 4.625 125.032 120.400 0.011 0.000 2.166 26 K HA 0.958 5.278 4.320 -0.000 0.000 0.245 26 K C -0.343 176.258 176.600 0.001 0.000 0.967 26 K CA -0.428 55.863 56.287 0.006 0.000 0.863 26 K CB 2.028 34.533 32.500 0.009 0.000 1.107 26 K HN 0.784 9.034 8.250 -0.000 0.000 0.436 27 G N 1.574 110.371 108.800 -0.005 0.000 2.350 27 G HA2 0.037 3.997 3.960 -0.000 0.000 0.304 27 G HA3 0.037 3.997 3.960 -0.000 0.000 0.304 27 G C -1.552 173.337 174.900 -0.018 0.000 1.421 27 G CA -0.742 44.352 45.100 -0.010 0.000 0.934 27 G HN 0.751 9.041 8.290 -0.000 0.000 0.632 28 K N 0.267 120.654 120.400 -0.020 0.000 2.580 28 K HA 0.164 4.484 4.320 -0.000 0.000 0.278 28 K C 1.111 177.690 176.600 -0.035 0.000 0.960 28 K CA 0.980 57.252 56.287 -0.025 0.000 0.988 28 K CB 0.496 32.981 32.500 -0.026 0.000 0.887 28 K HN 1.551 9.801 8.250 -0.000 0.000 0.509 29 N N 0.743 119.422 118.700 -0.034 0.000 3.826 29 N HA -0.234 4.506 4.740 -0.000 0.000 0.217 29 N C 0.178 175.665 175.510 -0.039 0.000 0.197 29 N CA 2.563 55.587 53.050 -0.043 0.000 2.951 29 N CB -1.782 36.663 38.487 -0.069 0.000 1.282 29 N HN 0.952 9.332 8.380 -0.000 0.000 0.338 30 G N 0.444 109.214 108.800 -0.050 0.000 2.605 30 G HA2 0.317 4.277 3.960 -0.000 0.000 0.301 30 G HA3 0.317 4.277 3.960 -0.000 0.000 0.301 30 G C -0.575 174.316 174.900 -0.015 0.000 0.881 30 G CA -0.034 45.046 45.100 -0.033 0.000 1.553 30 G HN 0.486 8.776 8.290 -0.000 0.000 0.483 31 E N 2.016 122.212 120.200 -0.007 0.000 1.775 31 E HA 0.323 4.673 4.350 -0.000 0.000 0.266 31 E C 0.852 177.455 176.600 0.005 0.000 1.191 31 E CA -0.051 56.348 56.400 -0.002 0.000 1.048 31 E CB -0.460 29.240 29.700 -0.001 0.000 1.081 31 E HN 0.529 8.889 8.360 -0.000 0.000 0.434 32 L N 1.420 122.647 121.223 0.006 0.000 0.626 32 L HA -0.242 4.098 4.340 -0.000 0.000 0.357 32 L C -0.572 176.308 176.870 0.017 0.000 1.004 32 L CA 0.969 55.816 54.840 0.011 0.000 1.223 32 L CB -0.337 41.729 42.059 0.011 0.000 0.120 32 L HN 0.638 8.868 8.230 -0.000 0.000 0.114 33 T N 0.527 115.093 114.554 0.021 0.000 3.223 33 T HA 0.439 4.789 4.350 -0.000 0.000 0.334 33 T C -0.447 174.268 174.700 0.024 0.000 0.940 33 T CA -1.217 60.899 62.100 0.027 0.000 1.272 33 T CB 0.900 69.792 68.868 0.039 0.000 0.982 33 T HN 0.556 8.796 8.240 -0.000 0.000 0.512 34 R N 1.476 121.988 120.500 0.020 0.000 2.543 34 R HA 0.658 4.998 4.340 -0.000 0.000 0.277 34 R C -0.592 175.718 176.300 0.016 0.000 1.074 34 R CA -0.506 55.605 56.100 0.018 0.000 1.076 34 R CB -0.191 30.118 30.300 0.015 0.000 0.993 34 R HN 0.542 8.812 8.270 -0.000 0.000 0.459 35 T N 3.481 118.043 114.554 0.014 0.000 3.237 35 T HA 0.267 4.617 4.350 -0.000 0.000 0.319 35 T C -0.211 174.493 174.700 0.007 0.000 1.037 35 T CA -0.806 61.299 62.100 0.008 0.000 1.048 35 T CB 1.297 70.168 68.868 0.005 0.000 1.081 35 T HN 0.189 8.429 8.240 -0.000 0.000 0.455 36 L N 2.860 124.084 121.223 0.001 0.000 2.466 36 L HA 0.529 4.869 4.340 -0.000 0.000 0.257 36 L C 0.883 177.747 176.870 -0.008 0.000 1.189 36 L CA -0.164 54.676 54.840 -0.000 0.000 0.813 36 L CB 0.160 42.218 42.059 -0.001 0.000 1.118 36 L HN 0.643 8.873 8.230 -0.000 0.000 0.471 37 N N -0.759 117.935 118.700 -0.011 0.000 3.084 37 N HA 0.344 5.084 4.740 -0.000 0.000 0.336 37 N C 0.135 175.620 175.510 -0.041 0.000 1.391 37 N CA 0.226 53.261 53.050 -0.025 0.000 0.712 37 N CB 1.603 40.082 38.487 -0.014 0.000 1.248 37 N HN 0.760 9.140 8.380 -0.000 0.000 0.545 38 D N -2.181 118.176 120.400 -0.072 0.000 2.348 38 D HA 0.124 4.764 4.640 -0.000 0.000 0.115 38 D C -0.903 175.265 176.300 -0.221 0.000 1.491 38 D CA -0.084 53.855 54.000 -0.102 0.000 1.321 38 D CB 0.352 41.102 40.800 -0.083 0.000 2.433 38 D HN 0.383 8.753 8.370 -0.000 0.000 0.244 39 A N 1.363 124.000 122.820 -0.306 0.000 3.409 39 A HA 0.564 4.884 4.320 -0.000 0.000 0.282 39 A C -1.109 176.271 177.584 -0.340 0.000 1.064 39 A CA -0.371 51.299 52.037 -0.611 0.000 0.889 39 A CB 0.760 19.040 19.000 -1.199 0.000 1.251 39 A HN 0.126 8.276 8.150 -0.000 0.000 0.538 40 V N 0.129 119.940 119.914 -0.171 0.000 2.841 40 V HA 0.412 4.532 4.120 -0.000 0.000 0.310 40 V C 0.043 176.139 176.094 0.003 0.000 1.090 40 V CA -0.515 61.762 62.300 -0.038 0.000 0.930 40 V CB 2.173 34.024 31.823 0.045 0.000 1.014 40 V HN 0.714 8.904 8.190 -0.000 0.000 0.425 41 E N 2.396 122.611 120.200 0.025 0.000 2.360 41 E HA 0.286 4.636 4.350 -0.000 0.000 0.253 41 E C -0.445 176.167 176.600 0.020 0.000 1.189 41 E CA -0.216 56.190 56.400 0.010 0.000 1.252 41 E CB 1.224 30.911 29.700 -0.022 0.000 1.408 41 E HN 0.568 8.928 8.360 -0.000 0.000 0.464 42 V N 3.329 123.275 119.914 0.053 0.000 2.485 42 V HA 0.105 4.225 4.120 -0.000 0.000 0.287 42 V C -0.538 175.469 176.094 -0.144 0.000 1.022 42 V CA 0.264 62.515 62.300 -0.081 0.000 1.067 42 V CB 0.518 32.370 31.823 0.048 0.000 0.967 42 V HN 0.340 8.530 8.190 -0.000 0.000 0.479 43 K N 5.241 125.509 120.400 -0.221 0.000 2.203 43 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 43 K C 0.236 176.763 176.600 -0.121 0.000 0.944 43 K CA -0.836 55.379 56.287 -0.119 0.000 0.829 43 K CB 1.649 34.104 32.500 -0.075 0.000 1.125 43 K HN 0.787 9.037 8.250 -0.000 0.000 0.430 44 H N 1.669 120.674 119.070 -0.107 0.000 2.431 44 H HA 0.047 4.603 4.556 -0.000 0.000 0.295 44 H C 1.223 176.506 175.328 -0.074 0.000 1.038 44 H CA 1.403 57.397 56.048 -0.090 0.000 1.360 44 H CB 0.483 30.211 29.762 -0.056 0.000 1.433 44 H HN 0.872 9.152 8.280 -0.000 0.000 0.536 45 A N 0.683 123.556 122.820 0.088 0.000 3.941 45 A HA -0.402 3.918 4.320 -0.000 0.000 0.355 45 A C 1.763 179.346 177.584 -0.003 0.000 1.675 45 A CA 2.948 54.999 52.037 0.024 0.000 0.874 45 A CB -1.830 17.177 19.000 0.012 0.000 1.486 45 A HN 0.630 8.780 8.150 -0.000 0.000 0.583 46 D N -0.753 119.658 120.400 0.019 0.000 2.855 46 D HA 0.177 4.816 4.640 -0.000 0.000 0.257 46 D C 1.166 177.449 176.300 -0.029 0.000 1.542 46 D CA 1.226 55.213 54.000 -0.021 0.000 1.164 46 D CB -0.946 39.852 40.800 -0.002 0.000 1.004 46 D HN 0.784 9.154 8.370 -0.000 0.000 0.293 47 N N -0.475 118.271 118.700 0.076 0.000 2.419 47 N HA 0.019 4.759 4.740 -0.000 0.000 0.216 47 N C 0.787 176.446 175.510 0.249 0.000 1.118 47 N CA 0.755 53.901 53.050 0.160 0.000 0.850 47 N CB 0.050 38.581 38.487 0.072 0.000 1.292 47 N HN 0.342 8.722 8.380 -0.000 0.000 0.467 48 T N -0.813 113.811 114.554 0.117 0.000 2.715 48 T HA 0.429 4.779 4.350 -0.000 0.000 0.320 48 T C 0.078 174.738 174.700 -0.066 0.000 1.046 48 T CA -0.385 61.728 62.100 0.022 0.000 0.983 48 T CB 0.464 69.335 68.868 0.004 0.000 1.183 48 T HN -0.008 8.232 8.240 -0.000 0.000 0.522 49 L N -0.375 120.739 121.223 -0.180 0.000 2.286 49 L HA 0.674 5.014 4.340 -0.000 0.000 0.265 49 L C 0.066 176.653 176.870 -0.470 0.000 1.012 49 L CA -0.512 54.084 54.840 -0.407 0.000 0.818 49 L CB 2.112 43.822 42.059 -0.581 0.000 1.337 49 L HN 0.958 9.188 8.230 -0.000 0.000 0.438 50 T N 1.072 115.240 114.554 -0.644 0.000 3.187 50 T HA 0.497 4.847 4.350 -0.000 0.000 0.328 50 T C -0.932 173.497 174.700 -0.451 0.000 0.951 50 T CA -0.290 61.555 62.100 -0.426 0.000 1.049 50 T CB 0.042 68.808 68.868 -0.169 0.000 1.015 50 T HN 0.053 8.293 8.240 -0.000 0.000 0.461 51 F N 1.640 121.624 119.950 0.055 0.000 2.394 51 F HA 0.794 5.321 4.527 -0.000 0.000 0.340 51 F C 1.113 176.985 175.800 0.121 0.000 1.105 51 F CA -0.432 57.607 58.000 0.066 0.000 1.124 51 F CB 1.405 40.448 39.000 0.070 0.000 1.145 51 F HN 0.708 9.008 8.300 -0.000 0.000 0.505 52 G N 1.484 110.409 108.800 0.209 0.000 2.721 52 G HA2 0.598 4.558 3.960 -0.000 0.000 0.296 52 G HA3 0.598 4.558 3.960 -0.000 0.000 0.296 52 G C -3.308 171.513 174.900 -0.131 0.000 1.383 52 G CA -1.795 43.321 45.100 0.027 0.000 0.788 52 G HN 0.224 8.514 8.290 -0.000 0.000 0.500 53 P HA 0.186 4.606 4.420 -0.000 0.000 0.269 53 P C -0.185 177.010 177.300 -0.174 0.000 1.263 53 P CA -0.407 62.464 63.100 -0.381 0.000 0.813 53 P CB 0.399 31.656 31.700 -0.738 0.000 0.868 54 R N 4.370 124.826 120.500 -0.073 0.000 2.540 54 R HA -0.011 4.329 4.340 -0.000 0.000 0.317 54 R C -0.590 175.796 176.300 0.144 0.000 1.233 54 R CA 0.006 56.103 56.100 -0.006 0.000 1.003 54 R CB -1.486 28.733 30.300 -0.135 0.000 1.034 54 R HN 0.515 8.785 8.270 -0.000 0.000 0.483 55 D N 1.873 122.303 120.400 0.049 0.000 3.046 55 D HA 0.005 4.645 4.640 -0.000 0.000 0.213 55 D C 1.107 177.470 176.300 0.105 0.000 1.074 55 D CA 1.311 55.336 54.000 0.041 0.000 0.785 55 D CB 0.137 40.938 40.800 0.003 0.000 1.160 55 D HN 0.660 9.030 8.370 -0.000 0.000 0.524 56 G N 1.041 109.853 108.800 0.019 0.000 2.134 56 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.209 56 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.209 56 G C -0.507 174.185 174.900 -0.347 0.000 0.993 56 G CA -0.410 44.606 45.100 -0.139 0.000 0.669 56 G HN 0.515 8.805 8.290 -0.000 0.000 0.519 57 Y N -0.525 119.759 120.300 -0.027 0.000 2.373 57 Y HA 0.600 5.150 4.550 -0.000 0.000 0.327 57 Y C 1.274 177.171 175.900 -0.006 0.000 1.036 57 Y CA -0.058 58.035 58.100 -0.012 0.000 1.265 57 Y CB 1.251 39.706 38.460 -0.008 0.000 1.108 57 Y HN 0.230 8.510 8.280 -0.000 0.000 0.471 58 A N 1.744 124.619 122.820 0.092 0.000 1.873 58 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 58 A C 1.821 179.472 177.584 0.111 0.000 1.193 58 A CA 2.213 54.296 52.037 0.076 0.000 0.629 58 A CB -0.440 18.588 19.000 0.046 0.000 0.826 58 A HN 0.832 8.982 8.150 -0.000 0.000 0.447 59 D N 0.287 120.762 120.400 0.126 0.000 2.407 59 D HA 0.058 4.698 4.640 -0.000 0.000 0.234 59 D C 1.031 177.411 176.300 0.134 0.000 1.029 59 D CA 0.698 54.770 54.000 0.118 0.000 0.937 59 D CB -0.974 39.889 40.800 0.105 0.000 0.882 59 D HN 0.388 8.758 8.370 -0.000 0.000 0.531 60 G N -0.717 108.174 108.800 0.151 0.000 2.443 60 G HA2 0.067 4.027 3.960 -0.000 0.000 0.286 60 G HA3 0.067 4.027 3.960 -0.000 0.000 0.286 60 G C 0.433 175.483 174.900 0.249 0.000 1.393 60 G CA 0.152 45.333 45.100 0.135 0.000 1.080 60 G HN 0.421 8.711 8.290 -0.000 0.000 0.566 61 W N -2.229 119.092 121.300 0.036 0.000 1.807 61 W HA -0.399 4.261 4.660 -0.000 0.000 0.300 61 W C 2.587 179.113 176.519 0.012 0.000 1.856 61 W CA 1.942 59.304 57.345 0.029 0.000 2.177 61 W CB -1.316 28.161 29.460 0.029 0.000 0.945 61 W HN 0.731 8.911 8.180 -0.000 0.000 0.450 62 A N -0.847 122.150 122.820 0.295 0.000 1.917 62 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 62 A C 1.436 179.072 177.584 0.088 0.000 1.182 62 A CA 2.649 54.753 52.037 0.112 0.000 0.633 62 A CB -1.018 18.026 19.000 0.073 0.000 0.819 62 A HN 0.575 8.725 8.150 -0.000 0.000 0.448 63 Q N -0.617 119.245 119.800 0.103 0.000 2.226 63 Q HA 0.004 4.344 4.340 -0.000 0.000 0.204 63 Q C 1.921 177.938 176.000 0.029 0.000 0.975 63 Q CA 1.782 57.612 55.803 0.045 0.000 0.866 63 Q CB -0.452 28.305 28.738 0.031 0.000 0.915 63 Q HN 0.627 8.897 8.270 -0.000 0.000 0.440 64 A N -1.111 121.771 122.820 0.104 0.000 1.943 64 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 64 A C 2.206 179.814 177.584 0.040 0.000 1.181 64 A CA 0.881 52.982 52.037 0.106 0.000 0.653 64 A CB -0.932 18.224 19.000 0.261 0.000 0.833 64 A HN 0.472 8.622 8.150 -0.000 0.000 0.451 65 G N -0.711 108.137 108.800 0.080 0.000 2.440 65 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 65 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 65 G C 1.701 176.551 174.900 -0.083 0.000 1.154 65 G CA 1.923 47.018 45.100 -0.008 0.000 0.767 65 G HN 0.501 8.791 8.290 -0.000 0.000 0.552 66 T N 0.573 115.081 114.554 -0.076 0.000 2.867 66 T HA 0.143 4.493 4.350 -0.000 0.000 0.268 66 T C 2.617 177.215 174.700 -0.169 0.000 1.057 66 T CA 1.898 63.939 62.100 -0.099 0.000 1.136 66 T CB -0.381 68.447 68.868 -0.067 0.000 0.874 66 T HN 0.311 8.551 8.240 -0.000 0.000 0.466 67 A N 1.821 124.506 122.820 -0.225 0.000 1.969 67 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 67 A C 2.432 179.582 177.584 -0.723 0.000 1.169 67 A CA 1.076 52.889 52.037 -0.373 0.000 0.635 67 A CB -0.614 18.189 19.000 -0.328 0.000 0.810 67 A HN 0.357 8.507 8.150 -0.000 0.000 0.445 68 R N 0.201 120.239 120.500 -0.769 0.000 2.096 68 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 68 R C 2.410 178.490 176.300 -0.367 0.000 1.134 68 R CA 2.000 57.602 56.100 -0.830 0.000 0.917 68 R CB -1.234 28.936 30.300 -0.217 0.000 0.832 68 R HN 0.423 8.693 8.270 -0.000 0.000 0.430 69 A N 1.863 124.568 122.820 -0.191 0.000 1.917 69 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 69 A C 2.307 179.832 177.584 -0.098 0.000 1.182 69 A CA 1.414 53.394 52.037 -0.096 0.000 0.633 69 A CB -0.767 18.189 19.000 -0.074 0.000 0.819 69 A HN 0.360 8.510 8.150 -0.000 0.000 0.448 70 L N -0.717 120.417 121.223 -0.147 0.000 2.013 70 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 70 L C 2.448 179.266 176.870 -0.087 0.000 1.073 70 L CA 1.827 56.598 54.840 -0.115 0.000 0.753 70 L CB -0.904 41.072 42.059 -0.138 0.000 0.890 70 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 71 L N 0.114 121.247 121.223 -0.150 0.000 1.993 71 L HA -0.224 4.116 4.340 -0.000 0.000 0.206 71 L C 2.423 179.317 176.870 0.040 0.000 1.074 71 L CA 1.959 56.776 54.840 -0.039 0.000 0.746 71 L CB -1.503 40.555 42.059 -0.001 0.000 0.896 71 L HN 0.471 8.701 8.230 -0.000 0.000 0.435 72 N N -0.018 118.712 118.700 0.049 0.000 2.184 72 N HA -0.242 4.498 4.740 -0.000 0.000 0.190 72 N C 1.840 177.401 175.510 0.084 0.000 1.011 72 N CA 2.036 55.135 53.050 0.081 0.000 0.867 72 N CB 0.121 38.656 38.487 0.080 0.000 0.993 72 N HN 0.514 8.894 8.380 -0.000 0.000 0.433 73 S N 0.599 116.349 115.700 0.084 0.000 2.383 73 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 73 S C 2.197 176.937 174.600 0.233 0.000 1.030 73 S CA 1.465 59.772 58.200 0.178 0.000 1.002 73 S CB -0.492 62.766 63.200 0.097 0.000 0.829 73 S HN 0.372 8.682 8.310 -0.000 0.000 0.467 74 M N 1.171 120.850 119.600 0.131 0.000 2.159 74 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 74 M C 2.278 178.613 176.300 0.057 0.000 1.063 74 M CA 1.259 56.622 55.300 0.105 0.000 1.110 74 M CB -0.784 31.855 32.600 0.065 0.000 1.374 74 M HN 0.206 8.496 8.290 -0.000 0.000 0.411 75 V N 0.769 120.712 119.914 0.049 0.000 2.332 75 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 75 V C 2.342 178.413 176.094 -0.037 0.000 1.055 75 V CA 1.409 63.718 62.300 0.015 0.000 1.038 75 V CB -0.740 31.102 31.823 0.032 0.000 0.651 75 V HN 0.406 8.596 8.190 -0.000 0.000 0.450 76 I N 1.158 121.701 120.570 -0.045 0.000 2.286 76 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 76 I C 2.702 178.539 176.117 -0.467 0.000 1.104 76 I CA 1.758 62.941 61.300 -0.195 0.000 1.397 76 I CB -2.132 35.796 38.000 -0.120 0.000 1.072 76 I HN 0.369 8.579 8.210 -0.000 0.000 0.417 77 G N 1.325 109.867 108.800 -0.429 0.000 2.479 77 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 77 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 77 G C 1.509 176.268 174.900 -0.234 0.000 1.115 77 G CA 1.275 46.109 45.100 -0.443 0.000 0.757 77 G HN 0.440 8.730 8.290 -0.000 0.000 0.560 78 V N -3.266 116.557 119.914 -0.152 0.000 3.483 78 V HA 0.363 4.483 4.120 -0.000 0.000 0.301 78 V C 1.502 177.534 176.094 -0.102 0.000 1.389 78 V CA 0.970 63.214 62.300 -0.094 0.000 1.101 78 V CB 0.191 31.989 31.823 -0.043 0.000 0.971 78 V HN 0.089 8.279 8.190 -0.000 0.000 0.434 79 T N 0.781 115.243 114.554 -0.152 0.000 3.610 79 T HA 0.220 4.570 4.350 -0.000 0.000 0.209 79 T C 1.199 175.816 174.700 -0.138 0.000 0.889 79 T CA 0.784 62.810 62.100 -0.123 0.000 1.469 79 T CB 0.043 68.843 68.868 -0.113 0.000 1.557 79 T HN 0.481 8.721 8.240 -0.000 0.000 0.431 80 E N 1.127 121.217 120.200 -0.183 0.000 2.481 80 E HA 0.361 4.711 4.350 -0.000 0.000 0.198 80 E C 1.164 177.636 176.600 -0.214 0.000 1.027 80 E CA 0.284 56.590 56.400 -0.157 0.000 0.900 80 E CB 0.464 30.092 29.700 -0.120 0.000 0.993 80 E HN 0.625 8.985 8.360 -0.000 0.000 0.482 81 G N 1.634 110.226 108.800 -0.346 0.000 2.562 81 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.250 81 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.250 81 G C -0.627 173.902 174.900 -0.618 0.000 1.269 81 G CA -0.332 44.532 45.100 -0.393 0.000 0.919 81 G HN 0.148 8.438 8.290 -0.000 0.000 0.574 82 F N 0.669 120.609 119.950 -0.015 0.000 2.588 82 F HA 0.640 5.167 4.527 -0.000 0.000 0.310 82 F C 1.310 177.097 175.800 -0.021 0.000 1.082 82 F CA 0.083 58.071 58.000 -0.020 0.000 0.929 82 F CB 1.663 40.649 39.000 -0.023 0.000 1.254 82 F HN 1.005 9.305 8.300 -0.000 0.000 0.455 83 T N -0.468 114.219 114.554 0.221 0.000 3.244 83 T HA 0.285 4.635 4.350 -0.000 0.000 0.422 83 T C 0.465 175.205 174.700 0.067 0.000 1.121 83 T CA 0.914 63.073 62.100 0.098 0.000 1.112 83 T CB 0.546 69.449 68.868 0.058 0.000 1.369 83 T HN 0.813 9.053 8.240 -0.000 0.000 0.513 84 K N -1.346 119.074 120.400 0.033 0.000 3.082 84 K HA -0.010 4.310 4.320 -0.000 0.000 0.273 84 K C -0.808 175.816 176.600 0.040 0.000 2.724 84 K CA 0.150 56.456 56.287 0.031 0.000 1.568 84 K CB -0.875 31.650 32.500 0.042 0.000 2.962 84 K HN 0.834 9.084 8.250 -0.000 0.000 0.414 85 K N 3.228 123.654 120.400 0.043 0.000 5.275 85 K HA -0.193 4.127 4.320 -0.000 0.000 0.346 85 K C -0.737 175.921 176.600 0.096 0.000 0.796 85 K CA 0.897 57.216 56.287 0.053 0.000 1.003 85 K CB -1.691 30.832 32.500 0.039 0.000 1.951 85 K HN 0.496 8.746 8.250 -0.000 0.000 0.372 86 L N 2.527 123.805 121.223 0.092 0.000 2.490 86 L HA 0.179 4.519 4.340 -0.000 0.000 0.256 86 L C -0.058 176.849 176.870 0.060 0.000 1.089 86 L CA -0.365 54.544 54.840 0.115 0.000 0.916 86 L CB 1.313 43.455 42.059 0.139 0.000 1.188 86 L HN 0.690 8.920 8.230 -0.000 0.000 0.476 87 Q N 3.009 122.840 119.800 0.051 0.000 2.235 87 Q HA 0.545 4.885 4.340 -0.000 0.000 0.250 87 Q C -1.129 174.883 176.000 0.021 0.000 0.909 87 Q CA -0.782 55.039 55.803 0.029 0.000 0.910 87 Q CB 1.696 30.448 28.738 0.023 0.000 1.223 87 Q HN 0.563 8.833 8.270 -0.000 0.000 0.432 88 L N 1.476 122.712 121.223 0.020 0.000 2.334 88 L HA 0.704 5.044 4.340 -0.000 0.000 0.273 88 L C -0.595 176.272 176.870 -0.004 0.000 1.013 88 L CA -0.669 54.188 54.840 0.029 0.000 0.816 88 L CB 1.189 43.290 42.059 0.071 0.000 1.278 88 L HN 0.421 8.651 8.230 -0.000 0.000 0.431 89 V N 0.387 120.273 119.914 -0.046 0.000 4.251 89 V HA 0.957 5.077 4.120 -0.000 0.000 0.277 89 V C 0.911 176.721 176.094 -0.472 0.000 1.292 89 V CA -0.168 62.034 62.300 -0.164 0.000 0.841 89 V CB 0.168 31.911 31.823 -0.134 0.000 1.273 89 V HN 1.422 9.612 8.190 -0.000 0.000 0.441 90 G N -0.885 107.509 108.800 -0.676 0.000 2.755 90 G HA2 0.046 4.006 3.960 -0.000 0.000 0.686 90 G HA3 0.046 4.006 3.960 -0.000 0.000 0.686 90 G C -0.068 174.280 174.900 -0.919 0.000 1.427 90 G CA -0.035 44.189 45.100 -1.461 0.000 0.873 90 G HN 1.577 9.867 8.290 -0.000 0.000 0.580 91 V N 0.105 119.714 119.914 -0.508 0.000 2.233 91 V HA 0.453 4.573 4.120 -0.000 0.000 0.174 91 V C 2.494 178.675 176.094 0.145 0.000 0.888 91 V CA 1.837 64.101 62.300 -0.059 0.000 1.161 91 V CB -1.119 30.746 31.823 0.070 0.000 0.717 91 V HN 2.417 10.607 8.190 -0.000 0.000 0.460 92 G N -1.055 107.907 108.800 0.269 0.000 3.084 92 G HA2 0.171 4.131 3.960 -0.000 0.000 0.254 92 G HA3 0.171 4.131 3.960 -0.000 0.000 0.254 92 G C 0.266 175.376 174.900 0.350 0.000 0.834 92 G CA 0.098 45.341 45.100 0.238 0.000 1.999 92 G HN 0.714 9.004 8.290 -0.000 0.000 0.611 93 Y N 0.652 120.964 120.300 0.019 0.000 2.296 93 Y HA 0.179 4.729 4.550 -0.000 0.000 0.271 93 Y C 1.726 177.626 175.900 0.000 0.000 1.102 93 Y CA -0.124 57.987 58.100 0.018 0.000 1.147 93 Y CB 0.016 38.489 38.460 0.022 0.000 1.070 93 Y HN 0.493 8.773 8.280 -0.000 0.000 0.495 94 R N 0.903 121.522 120.500 0.198 0.000 3.460 94 R HA -0.182 4.158 4.340 -0.000 0.000 0.622 94 R C -1.049 175.280 176.300 0.048 0.000 0.241 94 R CA 0.275 56.428 56.100 0.088 0.000 1.913 94 R CB -1.634 28.702 30.300 0.060 0.000 0.884 94 R HN 0.422 8.692 8.270 -0.000 0.000 0.616 95 A N -0.620 122.211 122.820 0.019 0.000 2.470 95 A HA 0.945 5.265 4.320 -0.000 0.000 0.271 95 A C 0.222 177.800 177.584 -0.010 0.000 1.269 95 A CA -0.065 51.966 52.037 -0.009 0.000 0.828 95 A CB 1.229 20.219 19.000 -0.016 0.000 1.374 95 A HN 1.640 9.790 8.150 -0.000 0.000 0.454 96 A N -2.461 120.346 122.820 -0.021 0.000 1.621 96 A HA 0.566 4.886 4.320 -0.000 0.000 0.212 96 A C 0.078 177.651 177.584 -0.018 0.000 1.760 96 A CA 0.916 52.944 52.037 -0.016 0.000 1.251 96 A CB -0.456 18.534 19.000 -0.016 0.000 1.168 96 A HN 2.064 10.214 8.150 -0.000 0.000 0.463 97 V N 0.861 120.759 119.914 -0.027 0.000 3.480 97 V HA -0.141 3.979 4.120 -0.000 0.000 0.494 97 V C -0.823 175.258 176.094 -0.021 0.000 0.682 97 V CA 1.452 63.735 62.300 -0.028 0.000 2.039 97 V CB -1.267 30.541 31.823 -0.025 0.000 2.474 97 V HN 0.665 8.855 8.190 -0.000 0.000 0.505 98 K N 3.883 124.270 120.400 -0.022 0.000 2.701 98 K HA 0.575 4.895 4.320 -0.000 0.000 0.212 98 K C 0.855 177.446 176.600 -0.016 0.000 1.035 98 K CA -0.042 56.236 56.287 -0.015 0.000 1.048 98 K CB 1.489 33.983 32.500 -0.011 0.000 1.234 98 K HN 1.469 9.719 8.250 -0.000 0.000 0.540 99 G N 3.062 111.853 108.800 -0.016 0.000 5.356 99 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.309 99 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.309 99 G C 0.411 175.297 174.900 -0.023 0.000 1.451 99 G CA 0.619 45.710 45.100 -0.016 0.000 0.978 99 G HN 0.650 8.940 8.290 -0.000 0.000 0.771 100 N N -0.069 118.615 118.700 -0.028 0.000 2.081 100 N HA 0.223 4.963 4.740 -0.000 0.000 0.230 100 N C 0.240 175.717 175.510 -0.055 0.000 1.351 100 N CA 1.037 54.063 53.050 -0.041 0.000 0.840 100 N CB 0.764 39.230 38.487 -0.035 0.000 1.189 100 N HN 1.414 9.794 8.380 -0.000 0.000 0.503 101 V N 0.119 120.009 119.914 -0.041 0.000 2.266 101 V HA 0.525 4.645 4.120 -0.000 0.000 0.271 101 V C 0.551 176.620 176.094 -0.041 0.000 1.032 101 V CA -0.917 61.360 62.300 -0.037 0.000 0.806 101 V CB 0.486 32.301 31.823 -0.012 0.000 1.052 101 V HN 0.012 8.202 8.190 -0.000 0.000 0.449 102 I N 4.342 124.874 120.570 -0.063 0.000 2.933 102 I HA -0.059 4.111 4.170 -0.000 0.000 0.301 102 I C 1.193 177.272 176.117 -0.062 0.000 1.163 102 I CA 0.537 61.798 61.300 -0.065 0.000 1.629 102 I CB -0.397 37.550 38.000 -0.089 0.000 1.530 102 I HN 0.736 8.946 8.210 -0.000 0.000 0.755 103 N N 7.765 126.437 118.700 -0.045 0.000 2.399 103 N HA 0.063 4.803 4.740 -0.000 0.000 0.284 103 N C -0.729 174.744 175.510 -0.062 0.000 1.283 103 N CA 0.313 53.338 53.050 -0.042 0.000 0.972 103 N CB 0.416 38.889 38.487 -0.024 0.000 1.328 103 N HN 0.526 8.906 8.380 -0.000 0.000 0.486 104 L N 1.923 123.087 121.223 -0.098 0.000 2.334 104 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 104 L C 0.062 176.859 176.870 -0.123 0.000 1.020 104 L CA -0.559 54.203 54.840 -0.129 0.000 0.812 104 L CB 1.666 43.586 42.059 -0.231 0.000 1.264 104 L HN 0.388 8.618 8.230 -0.000 0.000 0.439 105 S N 3.535 119.168 115.700 -0.111 0.000 2.417 105 S HA 0.391 4.861 4.470 -0.000 0.000 0.189 105 S C -1.011 173.520 174.600 -0.115 0.000 1.005 105 S CA -0.578 57.558 58.200 -0.107 0.000 1.116 105 S CB 0.565 63.734 63.200 -0.051 0.000 1.343 105 S HN 0.458 8.768 8.310 -0.000 0.000 0.406 106 L N -0.379 120.726 121.223 -0.198 0.000 2.404 106 L HA 0.950 5.290 4.340 -0.000 0.000 0.272 106 L C 0.889 177.516 176.870 -0.404 0.000 0.980 106 L CA -0.639 53.943 54.840 -0.430 0.000 0.836 106 L CB 0.923 42.676 42.059 -0.510 0.000 1.238 106 L HN 0.595 8.825 8.230 -0.000 0.000 0.408 107 G N 2.174 110.691 108.800 -0.472 0.000 4.861 107 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.226 107 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.226 107 G C 0.183 175.044 174.900 -0.066 0.000 1.350 107 G CA 0.654 45.610 45.100 -0.240 0.000 1.018 107 G HN 0.563 8.853 8.290 -0.000 0.000 0.712 108 F N 2.769 122.564 119.950 -0.259 0.000 2.604 108 F HA 0.255 4.782 4.527 -0.000 0.000 0.390 108 F C 1.993 177.670 175.800 -0.205 0.000 1.053 108 F CA 0.656 58.498 58.000 -0.263 0.000 1.256 108 F CB 0.458 39.163 39.000 -0.493 0.000 0.996 108 F HN 0.432 8.732 8.300 -0.000 0.000 0.564 109 S N 3.134 118.901 115.700 0.113 0.000 2.954 109 S HA 0.025 4.495 4.470 -0.000 0.000 0.234 109 S C -0.077 174.685 174.600 0.270 0.000 0.978 109 S CA 0.230 58.527 58.200 0.161 0.000 1.045 109 S CB -1.348 61.941 63.200 0.148 0.000 0.807 109 S HN 0.783 9.093 8.310 -0.000 0.000 0.508 110 H N -3.293 115.838 119.070 0.102 0.000 2.987 110 H HA 0.503 5.059 4.556 -0.000 0.000 0.316 110 H C -3.567 171.796 175.328 0.059 0.000 1.380 110 H CA -1.882 54.210 56.048 0.072 0.000 1.160 110 H CB -0.323 29.482 29.762 0.072 0.000 1.865 110 H HN -0.024 8.256 8.280 -0.000 0.000 0.521 111 P HA 0.094 4.514 4.420 -0.000 0.000 0.286 111 P C 0.323 177.600 177.300 -0.038 0.000 1.278 111 P CA -0.074 63.030 63.100 0.006 0.000 0.785 111 P CB 0.764 32.492 31.700 0.047 0.000 1.269 112 V N -2.836 117.058 119.914 -0.033 0.000 5.048 112 V HA 0.115 4.235 4.120 -0.000 0.000 0.133 112 V C -1.115 174.987 176.094 0.012 0.000 1.124 112 V CA 0.220 62.503 62.300 -0.029 0.000 1.228 112 V CB -0.727 31.009 31.823 -0.145 0.000 1.711 112 V HN 0.531 8.721 8.190 -0.000 0.000 0.586 113 D N 1.543 121.926 120.400 -0.027 0.000 3.241 113 D HA -0.187 4.453 4.640 -0.000 0.000 0.248 113 D C -0.210 176.126 176.300 0.059 0.000 1.093 113 D CA 0.798 54.800 54.000 0.004 0.000 0.940 113 D CB -1.639 39.172 40.800 0.020 0.000 0.980 113 D HN 0.834 9.204 8.370 -0.000 0.000 0.421 114 H N 1.774 120.776 119.070 -0.114 0.000 2.878 114 H HA 0.137 4.693 4.556 -0.000 0.000 0.290 114 H C 0.657 175.956 175.328 -0.048 0.000 1.065 114 H CA -0.679 55.318 56.048 -0.086 0.000 1.477 114 H CB 0.789 30.427 29.762 -0.206 0.000 1.484 114 H HN 0.102 8.382 8.280 -0.000 0.000 0.504 115 Q N 5.637 125.515 119.800 0.130 0.000 2.323 115 Q HA 0.125 4.465 4.340 -0.000 0.000 0.257 115 Q C -0.771 175.134 176.000 -0.158 0.000 1.022 115 Q CA -0.738 55.053 55.803 -0.020 0.000 0.919 115 Q CB 0.993 29.754 28.738 0.039 0.000 1.220 115 Q HN 0.458 8.728 8.270 -0.000 0.000 0.427 116 L N 5.517 126.606 121.223 -0.223 0.000 2.461 116 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 116 L C -1.178 175.634 176.870 -0.097 0.000 1.197 116 L CA -0.812 53.895 54.840 -0.222 0.000 0.836 116 L CB -0.441 41.516 42.059 -0.171 0.000 1.105 116 L HN 0.475 8.705 8.230 -0.000 0.000 0.477 117 P HA -0.105 4.315 4.420 -0.000 0.000 0.199 117 P C 0.283 177.573 177.300 -0.017 0.000 1.085 117 P CA 1.950 65.037 63.100 -0.021 0.000 0.924 117 P CB 0.311 32.007 31.700 -0.006 0.000 0.736 118 A N -3.508 119.304 122.820 -0.013 0.000 1.889 118 A HA 0.290 4.610 4.320 -0.000 0.000 0.204 118 A C 1.667 179.250 177.584 -0.002 0.000 1.739 118 A CA 0.412 52.445 52.037 -0.008 0.000 1.589 118 A CB -1.119 17.880 19.000 -0.001 0.000 1.485 118 A HN 0.235 8.385 8.150 -0.000 0.000 0.472 119 G N 0.601 109.404 108.800 0.006 0.000 3.302 119 G HA2 0.403 4.363 3.960 -0.000 0.000 0.220 119 G HA3 0.403 4.363 3.960 -0.000 0.000 0.220 119 G C 0.157 175.070 174.900 0.021 0.000 1.297 119 G CA 1.200 46.309 45.100 0.015 0.000 1.213 119 G HN 0.949 9.239 8.290 -0.000 0.000 0.508 120 I N -1.192 119.383 120.570 0.008 0.000 2.793 120 I HA 0.414 4.584 4.170 -0.000 0.000 0.295 120 I C -1.701 174.410 176.117 -0.011 0.000 1.610 120 I CA -0.286 61.019 61.300 0.009 0.000 0.986 120 I CB 1.796 39.804 38.000 0.013 0.000 1.402 120 I HN -0.055 8.155 8.210 -0.000 0.000 0.500 121 T N 4.873 119.422 114.554 -0.008 0.000 2.923 121 T HA 0.850 5.200 4.350 -0.000 0.000 0.311 121 T C -0.734 173.956 174.700 -0.016 0.000 1.183 121 T CA -0.308 61.780 62.100 -0.020 0.000 1.020 121 T CB 1.872 70.731 68.868 -0.015 0.000 1.165 121 T HN 0.894 9.134 8.240 -0.000 0.000 0.482 122 A N 1.346 124.150 122.820 -0.026 0.000 2.387 122 A HA 0.941 5.261 4.320 -0.000 0.000 0.303 122 A C -0.771 176.803 177.584 -0.017 0.000 1.145 122 A CA -0.656 51.370 52.037 -0.019 0.000 0.801 122 A CB 1.714 20.698 19.000 -0.027 0.000 1.342 122 A HN 0.780 8.930 8.150 -0.000 0.000 0.440 123 E N -1.044 119.149 120.200 -0.011 0.000 2.433 123 E HA 0.481 4.831 4.350 -0.000 0.000 0.273 123 E C -1.813 174.782 176.600 -0.008 0.000 0.950 123 E CA -0.534 55.860 56.400 -0.009 0.000 0.796 123 E CB 2.241 31.938 29.700 -0.005 0.000 1.330 123 E HN 0.682 9.042 8.360 -0.000 0.000 0.455 124 C N 4.449 123.745 119.300 -0.007 0.000 2.492 124 C HA 0.444 4.904 4.460 -0.000 0.000 0.284 124 C C -1.693 173.297 174.990 -0.001 0.000 1.082 124 C CA -1.821 57.195 59.018 -0.005 0.000 1.555 124 C CB -0.686 27.049 27.740 -0.008 0.000 1.798 124 C HN 0.616 8.846 8.230 -0.000 0.000 0.413 125 P HA -0.026 4.394 4.420 -0.000 0.000 0.202 125 P C 0.328 177.630 177.300 0.003 0.000 1.149 125 P CA 1.478 64.580 63.100 0.003 0.000 0.931 125 P CB 0.040 31.743 31.700 0.005 0.000 0.762 126 T N 0.119 114.676 114.554 0.005 0.000 2.882 126 T HA 0.082 4.432 4.350 -0.000 0.000 0.287 126 T C 0.963 175.667 174.700 0.007 0.000 0.992 126 T CA -0.370 61.733 62.100 0.005 0.000 1.076 126 T CB 1.093 69.964 68.868 0.005 0.000 0.961 126 T HN 0.142 8.382 8.240 -0.000 0.000 0.490 127 Q N 1.853 121.658 119.800 0.008 0.000 2.290 127 Q HA -0.177 4.163 4.340 -0.000 0.000 0.211 127 Q C 0.890 176.900 176.000 0.016 0.000 0.991 127 Q CA 1.481 57.290 55.803 0.011 0.000 0.893 127 Q CB -0.125 28.621 28.738 0.014 0.000 0.913 127 Q HN 0.817 9.087 8.270 -0.000 0.000 0.428 128 T N -1.716 112.847 114.554 0.015 0.000 3.326 128 T HA 0.486 4.836 4.350 -0.000 0.000 0.274 128 T C -0.704 174.004 174.700 0.013 0.000 1.608 128 T CA -0.613 61.497 62.100 0.018 0.000 1.433 128 T CB 0.629 69.503 68.868 0.010 0.000 1.034 128 T HN 0.302 8.542 8.240 -0.000 0.000 0.694 129 E N 1.545 121.753 120.200 0.013 0.000 2.431 129 E HA 0.476 4.826 4.350 -0.000 0.000 0.287 129 E C -1.957 174.650 176.600 0.011 0.000 1.032 129 E CA -0.831 55.577 56.400 0.013 0.000 0.839 129 E CB 1.569 31.276 29.700 0.012 0.000 1.218 129 E HN 0.498 8.858 8.360 -0.000 0.000 0.424 130 I N 3.164 123.744 120.570 0.016 0.000 2.619 130 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 130 I C -0.904 175.227 176.117 0.023 0.000 1.100 130 I CA -1.145 60.162 61.300 0.012 0.000 1.043 130 I CB 2.124 40.128 38.000 0.006 0.000 1.239 130 I HN 0.396 8.606 8.210 -0.000 0.000 0.420 131 V N 4.720 124.644 119.914 0.016 0.000 2.668 131 V HA 0.664 4.784 4.120 -0.000 0.000 0.304 131 V C -0.867 175.236 176.094 0.015 0.000 1.071 131 V CA -0.747 61.566 62.300 0.022 0.000 0.894 131 V CB 1.561 33.395 31.823 0.019 0.000 1.008 131 V HN 0.635 8.825 8.190 -0.000 0.000 0.425 132 L N 1.452 122.689 121.223 0.023 0.000 2.346 132 L HA 0.820 5.160 4.340 -0.000 0.000 0.276 132 L C -0.391 176.499 176.870 0.033 0.000 1.006 132 L CA -0.814 54.037 54.840 0.018 0.000 0.817 132 L CB 1.848 43.915 42.059 0.014 0.000 1.272 132 L HN 0.582 8.812 8.230 -0.000 0.000 0.421 133 K N 2.541 122.958 120.400 0.028 0.000 2.339 133 K HA 0.747 5.067 4.320 -0.000 0.000 0.264 133 K C -0.106 176.523 176.600 0.048 0.000 0.986 133 K CA -0.441 55.870 56.287 0.040 0.000 0.866 133 K CB 2.094 34.604 32.500 0.017 0.000 1.103 133 K HN 0.911 9.161 8.250 -0.000 0.000 0.441 134 G N 0.328 109.185 108.800 0.096 0.000 3.140 134 G HA2 0.599 4.559 3.960 -0.000 0.000 0.271 134 G HA3 0.599 4.559 3.960 -0.000 0.000 0.271 134 G C -0.367 174.620 174.900 0.144 0.000 1.370 134 G CA -0.555 44.611 45.100 0.110 0.000 1.014 134 G HN 0.500 8.790 8.290 -0.000 0.000 0.541 135 A N -1.437 121.480 122.820 0.162 0.000 2.390 135 A HA 0.407 4.727 4.320 -0.000 0.000 0.225 135 A C 0.271 178.045 177.584 0.317 0.000 1.232 135 A CA 0.351 52.474 52.037 0.143 0.000 0.964 135 A CB 0.452 19.484 19.000 0.052 0.000 1.064 135 A HN 0.428 8.578 8.150 -0.000 0.000 0.525 136 D N 0.337 120.909 120.400 0.287 0.000 2.440 136 D HA 0.197 4.837 4.640 -0.000 0.000 0.239 136 D C 0.676 176.975 176.300 -0.002 0.000 1.084 136 D CA -0.283 53.829 54.000 0.186 0.000 0.843 136 D CB 1.326 42.170 40.800 0.074 0.000 1.097 136 D HN 0.195 8.565 8.370 -0.000 0.000 0.531 137 K N 2.954 123.137 120.400 -0.363 0.000 2.113 137 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 137 K C 1.596 177.963 176.600 -0.388 0.000 1.047 137 K CA 1.198 56.938 56.287 -0.912 0.000 0.928 137 K CB 0.257 32.056 32.500 -1.168 0.000 0.716 137 K HN 0.461 8.711 8.250 -0.000 0.000 0.446 138 Q N 0.745 120.415 119.800 -0.216 0.000 1.942 138 Q HA -0.147 4.193 4.340 -0.000 0.000 0.203 138 Q C 2.118 178.070 176.000 -0.080 0.000 0.987 138 Q CA 2.055 57.782 55.803 -0.125 0.000 0.844 138 Q CB -0.449 28.243 28.738 -0.076 0.000 0.911 138 Q HN 0.204 8.474 8.270 -0.000 0.000 0.423 139 V N 2.231 122.119 119.914 -0.044 0.000 2.233 139 V HA -0.354 3.766 4.120 -0.000 0.000 0.252 139 V C 2.643 178.730 176.094 -0.010 0.000 1.063 139 V CA 2.484 64.777 62.300 -0.012 0.000 1.032 139 V CB -1.265 30.561 31.823 0.006 0.000 0.645 139 V HN 0.627 8.817 8.190 -0.000 0.000 0.446 140 I N 0.696 121.251 120.570 -0.025 0.000 2.194 140 I HA -0.103 4.067 4.170 -0.000 0.000 0.246 140 I C 2.387 178.491 176.117 -0.022 0.000 1.093 140 I CA 2.343 63.634 61.300 -0.015 0.000 1.355 140 I CB -1.593 36.401 38.000 -0.011 0.000 1.046 140 I HN 0.164 8.374 8.210 -0.000 0.000 0.413 141 G N -0.411 108.343 108.800 -0.076 0.000 2.432 141 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 141 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 141 G C 1.568 176.481 174.900 0.020 0.000 1.135 141 G CA 1.016 46.072 45.100 -0.072 0.000 0.767 141 G HN 0.513 8.803 8.290 -0.000 0.000 0.550 142 Q N 0.780 120.593 119.800 0.021 0.000 1.941 142 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 142 Q C 2.799 178.861 176.000 0.103 0.000 0.982 142 Q CA 2.477 58.314 55.803 0.057 0.000 0.839 142 Q CB -0.815 27.945 28.738 0.037 0.000 0.904 142 Q HN 0.445 8.715 8.270 -0.000 0.000 0.427 143 V N -0.669 119.305 119.914 0.099 0.000 2.546 143 V HA -0.208 3.912 4.120 -0.000 0.000 0.254 143 V C 2.114 178.313 176.094 0.175 0.000 1.076 143 V CA 1.984 64.374 62.300 0.149 0.000 1.087 143 V CB -1.809 30.056 31.823 0.070 0.000 0.674 143 V HN 0.419 8.609 8.190 -0.000 0.000 0.470 144 A N 1.174 124.091 122.820 0.163 0.000 1.841 144 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 144 A C 2.609 180.354 177.584 0.268 0.000 1.199 144 A CA 3.167 55.356 52.037 0.254 0.000 0.621 144 A CB -1.438 17.752 19.000 0.316 0.000 0.835 144 A HN 1.048 9.198 8.150 -0.000 0.000 0.445 145 A N -0.236 122.759 122.820 0.291 0.000 1.873 145 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 145 A C 1.831 179.466 177.584 0.086 0.000 1.193 145 A CA 2.005 54.128 52.037 0.144 0.000 0.629 145 A CB -0.948 18.157 19.000 0.176 0.000 0.826 145 A HN 0.566 8.716 8.150 -0.000 0.000 0.447 146 D N -0.147 120.333 120.400 0.133 0.000 2.157 146 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 146 D C 1.954 178.372 176.300 0.197 0.000 1.004 146 D CA 1.697 55.783 54.000 0.144 0.000 0.854 146 D CB -0.320 40.589 40.800 0.181 0.000 0.936 146 D HN 0.476 8.846 8.370 -0.000 0.000 0.446 147 L N 0.537 121.853 121.223 0.156 0.000 1.955 147 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 147 L C 2.460 179.342 176.870 0.020 0.000 1.072 147 L CA 1.639 56.495 54.840 0.026 0.000 0.755 147 L CB -0.376 41.711 42.059 0.046 0.000 0.888 147 L HN 0.047 8.277 8.230 -0.000 0.000 0.432 148 R N 0.893 121.383 120.500 -0.017 0.000 2.328 148 R HA -0.011 4.329 4.340 -0.000 0.000 0.207 148 R C 1.587 177.895 176.300 0.014 0.000 1.056 148 R CA 1.045 57.108 56.100 -0.061 0.000 1.016 148 R CB -1.163 28.976 30.300 -0.269 0.000 0.872 148 R HN 0.248 8.518 8.270 -0.000 0.000 0.471 149 A N -0.105 122.770 122.820 0.091 0.000 2.235 149 A HA 0.051 4.371 4.320 -0.000 0.000 0.208 149 A C 0.536 178.171 177.584 0.085 0.000 1.172 149 A CA 0.209 52.286 52.037 0.067 0.000 0.786 149 A CB -0.561 18.461 19.000 0.038 0.000 0.804 149 A HN 0.375 8.525 8.150 -0.000 0.000 0.479 150 Y N -1.715 118.537 120.300 -0.081 0.000 2.461 150 Y HA 0.296 4.846 4.550 -0.000 0.000 0.277 150 Y C 1.960 177.883 175.900 0.039 0.000 1.182 150 Y CA 0.474 58.504 58.100 -0.118 0.000 1.276 150 Y CB 0.300 38.589 38.460 -0.286 0.000 1.087 150 Y HN 0.346 8.626 8.280 -0.000 0.000 0.519 151 R N -1.224 119.395 120.500 0.199 0.000 4.105 151 R HA 0.179 4.519 4.340 -0.000 0.000 0.041 151 R C -0.764 175.613 176.300 0.128 0.000 0.789 151 R CA 0.080 56.309 56.100 0.216 0.000 2.377 151 R CB 0.231 30.684 30.300 0.256 0.000 1.294 151 R HN -0.023 8.247 8.270 -0.000 0.000 0.464 152 R N 0.356 120.906 120.500 0.082 0.000 1.238 152 R HA -0.095 4.245 4.340 -0.000 0.000 0.414 152 R C -2.820 173.503 176.300 0.038 0.000 1.344 152 R CA 0.589 56.704 56.100 0.024 0.000 1.242 152 R CB -0.848 29.452 30.300 0.001 0.000 3.546 152 R HN 0.193 8.463 8.270 -0.000 0.000 0.491 153 P HA -0.017 4.403 4.420 -0.000 0.000 0.264 153 P C -0.662 176.636 177.300 -0.002 0.000 1.179 153 P CA 0.311 63.416 63.100 0.010 0.000 0.763 153 P CB 0.476 32.169 31.700 -0.011 0.000 0.806 154 E N 4.921 125.124 120.200 0.006 0.000 2.166 154 E HA 0.238 4.588 4.350 -0.000 0.000 0.275 154 E C -2.492 174.043 176.600 -0.108 0.000 0.941 154 E CA -2.656 53.728 56.400 -0.027 0.000 0.784 154 E CB 1.255 30.994 29.700 0.066 0.000 1.115 154 E HN 0.193 8.553 8.360 -0.000 0.000 0.399 155 P HA 0.023 4.443 4.420 -0.000 0.000 0.301 155 P C -0.798 176.198 177.300 -0.506 0.000 1.560 155 P CA 0.857 63.738 63.100 -0.365 0.000 0.784 155 P CB -0.731 30.715 31.700 -0.423 0.000 1.715 156 Y N -2.593 117.708 120.300 0.002 0.000 2.515 156 Y HA 0.250 4.800 4.550 -0.000 0.000 0.267 156 Y C 1.843 177.740 175.900 -0.004 0.000 1.058 156 Y CA -0.235 57.865 58.100 -0.000 0.000 1.231 156 Y CB 0.750 39.211 38.460 0.002 0.000 1.350 156 Y HN -0.197 8.083 8.280 -0.000 0.000 0.554 157 K N -1.138 119.331 120.400 0.116 0.000 2.948 157 K HA 0.336 4.656 4.320 -0.000 0.000 0.182 157 K C 0.996 177.604 176.600 0.015 0.000 1.750 157 K CA 1.082 57.404 56.287 0.058 0.000 1.390 157 K CB 0.839 33.371 32.500 0.054 0.000 1.986 157 K HN 0.067 8.317 8.250 -0.000 0.000 0.628 158 G N 1.546 110.351 108.800 0.010 0.000 2.194 158 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.236 158 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.236 158 G C -0.571 174.318 174.900 -0.017 0.000 0.987 158 G CA 0.346 45.440 45.100 -0.010 0.000 0.635 158 G HN 0.171 8.461 8.290 -0.000 0.000 0.520 159 K N 0.619 121.003 120.400 -0.027 0.000 2.518 159 K HA 0.438 4.758 4.320 -0.000 0.000 0.276 159 K C 0.874 177.489 176.600 0.025 0.000 0.974 159 K CA 0.934 57.170 56.287 -0.086 0.000 0.986 159 K CB 0.390 32.819 32.500 -0.118 0.000 0.901 159 K HN 1.655 9.905 8.250 -0.000 0.000 0.497 160 G N -0.348 108.479 108.800 0.045 0.000 2.459 160 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.685 160 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.685 160 G C -1.012 173.960 174.900 0.120 0.000 1.303 160 G CA -1.048 44.189 45.100 0.230 0.000 0.907 160 G HN 0.384 8.674 8.290 -0.000 0.000 0.632 161 V N 2.554 122.543 119.914 0.125 0.000 2.479 161 V HA 0.618 4.738 4.120 -0.000 0.000 0.281 161 V C 0.783 176.854 176.094 -0.039 0.000 1.031 161 V CA 0.534 62.857 62.300 0.039 0.000 1.038 161 V CB 0.712 32.547 31.823 0.021 0.000 0.981 161 V HN 1.130 9.320 8.190 -0.000 0.000 0.478 162 R N 4.296 124.760 120.500 -0.060 0.000 2.707 162 R HA 0.289 4.629 4.340 -0.000 0.000 0.272 162 R C -1.531 174.732 176.300 -0.062 0.000 1.011 162 R CA -0.933 55.088 56.100 -0.132 0.000 0.893 162 R CB 0.781 31.043 30.300 -0.063 0.000 1.233 162 R HN 0.388 8.658 8.270 -0.000 0.000 0.464 163 Y N 1.939 122.250 120.300 0.018 0.000 2.815 163 Y HA -0.009 4.541 4.550 -0.000 0.000 0.346 163 Y C 1.913 177.818 175.900 0.008 0.000 1.267 163 Y CA 1.092 59.199 58.100 0.011 0.000 1.604 163 Y CB -0.242 38.222 38.460 0.007 0.000 1.218 163 Y HN 0.854 9.134 8.280 -0.000 0.000 0.527 164 A N 2.617 125.536 122.820 0.166 0.000 2.067 164 A HA -0.281 4.039 4.320 -0.000 0.000 0.224 164 A C 0.991 178.621 177.584 0.076 0.000 1.172 164 A CA 2.081 54.172 52.037 0.090 0.000 0.662 164 A CB -0.505 18.536 19.000 0.068 0.000 0.814 164 A HN 0.742 8.892 8.150 -0.000 0.000 0.468 165 D N -0.827 119.629 120.400 0.094 0.000 2.458 165 D HA 0.392 5.032 4.640 -0.000 0.000 0.258 165 D C 0.184 176.531 176.300 0.078 0.000 1.134 165 D CA -0.257 53.779 54.000 0.060 0.000 0.915 165 D CB 0.480 41.296 40.800 0.028 0.000 1.028 165 D HN 0.426 8.796 8.370 -0.000 0.000 0.508 166 E N 1.629 121.872 120.200 0.071 0.000 2.334 166 E HA 0.311 4.661 4.350 -0.000 0.000 0.200 166 E C -0.140 176.484 176.600 0.039 0.000 0.855 166 E CA -0.311 56.132 56.400 0.072 0.000 0.882 166 E CB 0.028 29.787 29.700 0.098 0.000 1.993 166 E HN 0.112 8.472 8.360 -0.000 0.000 0.412 167 V N -2.231 117.702 119.914 0.032 0.000 3.430 167 V HA 0.411 4.531 4.120 -0.000 0.000 0.211 167 V C 0.756 176.854 176.094 0.007 0.000 1.173 167 V CA 0.351 62.660 62.300 0.015 0.000 1.310 167 V CB -0.703 31.127 31.823 0.011 0.000 1.361 167 V HN 0.633 8.823 8.190 -0.000 0.000 0.512 168 V N 1.522 121.435 119.914 -0.000 0.000 5.357 168 V HA -0.188 3.932 4.120 -0.000 0.000 0.346 168 V C 1.455 177.538 176.094 -0.018 0.000 0.613 168 V CA 0.905 63.198 62.300 -0.013 0.000 1.319 168 V CB -2.144 29.673 31.823 -0.009 0.000 1.571 168 V HN 0.711 8.901 8.190 -0.000 0.000 0.485 169 R N 1.776 122.260 120.500 -0.026 0.000 2.082 169 R HA 0.082 4.422 4.340 -0.000 0.000 0.228 169 R C 1.134 177.413 176.300 -0.034 0.000 1.140 169 R CA 1.738 57.822 56.100 -0.027 0.000 0.920 169 R CB -0.091 30.190 30.300 -0.032 0.000 0.828 169 R HN 1.595 9.865 8.270 -0.000 0.000 0.430 170 T N -0.873 113.642 114.554 -0.065 0.000 0.542 170 T HA -0.139 4.211 4.350 -0.000 0.000 0.774 170 T C -0.722 173.951 174.700 -0.045 0.000 0.992 170 T CA 0.219 62.269 62.100 -0.083 0.000 4.076 170 T CB -0.264 68.581 68.868 -0.038 0.000 2.303 170 T HN 0.128 8.368 8.240 -0.000 0.000 0.398 171 K N 2.402 122.773 120.400 -0.049 0.000 2.346 171 K HA 0.558 4.878 4.320 -0.000 0.000 0.238 171 K C 0.792 177.478 176.600 0.145 0.000 1.039 171 K CA -0.746 55.560 56.287 0.033 0.000 0.861 171 K CB 1.389 33.902 32.500 0.021 0.000 1.278 171 K HN 0.986 9.236 8.250 -0.000 0.000 0.460 172 E N 0.046 120.319 120.200 0.123 0.000 2.369 172 E HA 0.460 4.810 4.350 -0.000 0.000 0.255 172 E C -0.519 176.177 176.600 0.160 0.000 1.172 172 E CA -0.847 55.627 56.400 0.122 0.000 0.932 172 E CB 0.532 30.270 29.700 0.063 0.000 1.040 172 E HN 0.480 8.840 8.360 -0.000 0.000 0.454 173 A N 1.290 124.146 122.820 0.061 0.000 2.363 173 A HA 0.126 4.446 4.320 -0.000 0.000 0.270 173 A C 0.154 177.735 177.584 -0.005 0.000 1.121 173 A CA -0.602 51.416 52.037 -0.032 0.000 0.800 173 A CB 0.432 19.355 19.000 -0.129 0.000 1.052 173 A HN 0.627 8.777 8.150 -0.000 0.000 0.493 174 K N 3.037 123.435 120.400 -0.003 0.000 2.163 174 K HA -0.005 4.315 4.320 -0.000 0.000 0.267 174 K C -0.611 175.982 176.600 -0.013 0.000 1.098 174 K CA 0.112 56.402 56.287 0.006 0.000 1.062 174 K CB 0.046 32.554 32.500 0.013 0.000 1.033 174 K HN 0.402 8.652 8.250 -0.000 0.000 0.396 175 K N 4.325 124.721 120.400 -0.007 0.000 2.312 175 K HA 0.142 4.462 4.320 -0.000 0.000 0.287 175 K C 0.070 176.666 176.600 -0.007 0.000 1.062 175 K CA -0.101 56.179 56.287 -0.011 0.000 0.934 175 K CB 1.157 33.652 32.500 -0.008 0.000 1.027 175 K HN 0.501 8.751 8.250 -0.000 0.000 0.478 176 K N 0.000 120.394 120.400 -0.010 0.000 2.780 176 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 176 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 176 K CB 0.000 32.494 32.500 -0.009 0.000 1.064 176 K HN 0.000 8.250 8.250 -0.000 0.000 0.543