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 1s84_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcAAN SIPYQVSLNX XSGSHFcGGS LINSQWVVSA AHcYKSRIQV DATA SEQUENCE RLXGEHNIDV LEGNEQFINA AKIITHPNFN GNTLDNDIML IKLSSPATLN DATA SEQUENCE SRVATVSLPR XScAAXAGTE cLISGWGNTK SSGSSYPSLL QcLKAPVLSD DATA SEQUENCE SScKSSYPGQ ITGNMIcVFL EGKDScQGDS GGPVVcNGQX XXXLQGIVSW DATA SEQUENCE GYXGcQKNKP GVYTKVcNYV NWIQQTIAAN 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 16 I HA 0.000 4.183 4.170 0.022 0.000 0.288 16 I C 0.000 176.100 176.117 -0.028 0.000 1.063 16 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 16 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 17 V N 6.156 126.069 119.914 -0.002 0.000 2.435 17 V HA 0.301 4.552 4.120 -0.028 -0.148 0.290 17 V C 0.237 176.330 176.094 -0.002 0.000 1.030 17 V CA -1.341 60.953 62.300 -0.009 0.000 0.881 17 V CB 1.965 33.789 31.823 0.003 0.000 0.983 17 V HN 0.856 9.061 8.190 0.026 0.000 0.445 18 G N 5.532 114.324 108.800 -0.015 0.000 2.136 18 G HA2 -0.355 3.592 3.960 -0.022 0.000 0.242 18 G HA3 -0.355 3.782 3.960 -0.034 -0.198 0.242 18 G C -0.609 174.293 174.900 0.003 0.000 0.989 18 G CA 0.054 45.142 45.100 -0.019 0.000 0.682 18 G HN 0.730 9.008 8.290 -0.020 0.000 0.522 19 G N 0.019 108.821 108.800 0.002 0.000 2.695 19 G HA2 0.494 4.506 3.960 0.086 0.000 0.213 19 G HA3 0.494 4.486 3.960 -0.113 -0.100 0.213 19 G C -1.665 173.289 174.900 0.089 0.000 1.406 19 G CA -0.842 44.260 45.100 0.003 0.000 1.049 19 G HN -0.660 7.584 8.290 -0.020 0.034 0.573 20 Y N -5.859 114.425 120.300 -0.028 0.000 2.597 20 Y HA 0.319 4.855 4.550 -0.024 0.000 0.340 20 Y C -2.212 173.672 175.900 -0.026 0.000 1.097 20 Y CA -2.626 55.460 58.100 -0.025 0.000 1.037 20 Y CB 1.746 40.194 38.460 -0.020 0.000 1.305 20 Y HN 0.414 8.346 8.280 -0.579 0.000 0.463 21 T N 3.998 118.606 114.554 0.089 0.000 2.817 21 T HA -0.045 4.386 4.350 -0.069 -0.122 0.295 21 T C 0.162 174.934 174.700 0.120 0.000 0.958 21 T CA 1.132 63.258 62.100 0.045 0.000 1.157 21 T CB -0.453 68.473 68.868 0.096 0.000 0.898 21 T HN 0.033 8.364 8.240 0.153 0.000 0.536 22 c N 7.824 126.419 118.600 -0.009 0.000 2.665 22 c HA -0.216 4.416 4.570 0.105 0.000 0.416 22 c C 0.006 174.111 174.090 0.026 0.000 1.305 22 c CA -0.081 56.258 56.329 0.018 0.000 1.903 22 c CB -0.132 42.318 42.510 -0.100 0.000 2.704 22 c HN 0.166 8.341 8.230 -0.091 0.000 0.629 23 A N 3.686 126.502 122.820 -0.008 0.000 2.531 23 A HA -0.165 4.094 4.320 -0.101 0.000 0.236 23 A C -0.082 177.287 177.584 -0.358 0.000 1.062 23 A CA 0.392 52.356 52.037 -0.122 0.000 0.760 23 A CB 0.591 19.555 19.000 -0.061 0.000 0.995 23 A HN 0.393 8.582 8.150 0.065 0.000 0.501 24 A N 3.056 125.538 122.820 -0.562 0.000 2.545 24 A HA -0.313 2.962 4.320 -1.741 0.000 0.253 24 A C -0.600 176.787 177.584 -0.328 0.000 1.074 24 A CA 0.841 52.399 52.037 -0.799 0.000 0.760 24 A CB -0.463 18.277 19.000 -0.434 0.000 1.005 24 A HN 0.443 8.358 8.150 -0.391 0.000 0.506 25 N N -1.500 117.066 118.700 -0.222 0.000 2.800 25 N HA -0.430 4.283 4.740 -0.045 0.000 0.250 25 N C 0.979 176.428 175.510 -0.102 0.000 1.078 25 N CA 1.776 54.772 53.050 -0.090 0.000 0.804 25 N CB -0.957 37.506 38.487 -0.040 0.000 1.135 25 N HN 0.490 8.725 8.380 -0.242 0.000 0.565 26 S N -1.822 113.800 115.700 -0.130 0.000 2.607 26 S HA -0.117 4.315 4.470 -0.063 0.000 0.224 26 S C -0.250 174.277 174.600 -0.122 0.000 0.969 26 S CA 1.853 59.998 58.200 -0.093 0.000 0.927 26 S CB 0.614 63.773 63.200 -0.068 0.000 0.772 26 S HN -0.174 7.995 8.310 -0.175 0.036 0.533 27 I N 0.847 121.283 120.570 -0.223 0.000 2.905 27 I HA 0.377 4.241 4.170 -0.511 0.000 0.297 27 I C -1.359 174.430 176.117 -0.546 0.000 1.358 27 I CA -3.800 57.209 61.300 -0.486 0.000 0.975 27 I CB -0.386 37.323 38.000 -0.486 0.000 1.857 27 I HN -0.139 7.881 8.210 -0.193 0.074 0.612 28 P HA 0.106 4.577 4.420 -0.082 -0.100 0.233 28 P C 0.632 177.897 177.300 -0.058 0.000 1.167 28 P CA 1.582 64.612 63.100 -0.116 0.000 0.770 28 P CB -0.221 31.478 31.700 -0.002 0.000 0.837 29 Y N -5.119 115.212 120.300 0.051 0.000 2.544 29 Y HA 0.370 5.101 4.550 0.065 -0.142 0.286 29 Y C -0.287 175.658 175.900 0.075 0.000 1.141 29 Y CA -2.601 55.535 58.100 0.060 0.000 1.299 29 Y CB -1.366 37.123 38.460 0.048 0.000 1.030 29 Y HN -0.375 7.420 8.280 -0.718 0.055 0.543 30 Q N 2.605 122.284 119.800 -0.202 0.000 2.297 30 Q HA 0.198 4.748 4.340 0.114 -0.142 0.267 30 Q C -0.477 175.618 176.000 0.158 0.000 1.006 30 Q CA 0.011 55.808 55.803 -0.011 0.000 0.896 30 Q CB 0.588 29.218 28.738 -0.181 0.000 1.186 30 Q HN -0.529 7.274 8.270 -0.498 0.168 0.392 31 V N -0.479 119.566 119.914 0.218 0.000 3.019 31 V HA 0.771 5.137 4.120 0.231 -0.107 0.317 31 V C -1.494 174.770 176.094 0.283 0.000 1.094 31 V CA -3.605 58.824 62.300 0.215 0.000 1.000 31 V CB 3.203 35.093 31.823 0.111 0.000 1.060 31 V HN 0.323 8.637 8.190 0.207 0.000 0.443 32 S N 1.145 116.895 115.700 0.084 0.000 2.437 32 S HA 0.403 5.074 4.470 0.135 -0.119 0.305 32 S C -0.661 173.810 174.600 -0.216 0.000 1.109 32 S CA -1.899 56.258 58.200 -0.072 0.000 1.099 32 S CB 1.530 64.448 63.200 -0.470 0.000 1.004 32 S HN 0.132 8.450 8.310 0.013 0.000 0.475 33 L N 6.651 127.630 121.223 -0.408 0.000 2.276 33 L HA 0.486 4.753 4.340 -0.345 -0.134 0.286 33 L C -1.343 175.098 176.870 -0.715 0.000 1.061 33 L CA -0.729 53.752 54.840 -0.598 0.000 0.807 33 L CB 0.379 41.900 42.059 -0.897 0.000 1.177 33 L HN 0.875 8.826 8.230 -0.464 0.000 0.429 38 G N 6.676 115.437 108.800 -0.064 0.000 2.609 38 G HA2 -0.386 3.536 3.960 -0.063 0.000 0.235 38 G HA3 -0.386 3.533 3.960 -0.067 0.000 0.235 38 G C -1.325 173.540 174.900 -0.057 0.000 1.177 38 G CA 0.719 45.781 45.100 -0.064 0.000 0.707 38 G HN 0.340 8.671 8.290 -0.070 -0.083 0.513 39 S N -0.731 114.947 115.700 -0.037 0.000 2.638 39 S HA 0.186 4.618 4.470 -0.063 0.000 0.274 39 S C -1.645 172.955 174.600 -0.001 0.000 1.157 39 S CA -2.066 56.114 58.200 -0.034 0.000 0.826 39 S CB 2.539 65.720 63.200 -0.033 0.000 1.139 39 S HN -0.635 7.573 8.310 -0.016 0.093 0.474 40 H N 2.346 121.338 119.070 -0.130 0.000 3.094 40 H HA -0.264 4.299 4.556 -0.267 -0.167 0.320 40 H C -0.008 175.301 175.328 -0.032 0.000 1.000 40 H CA 1.133 57.070 56.048 -0.186 0.000 1.413 40 H CB 0.043 29.634 29.762 -0.284 0.000 1.405 40 H HN 0.535 8.818 8.280 0.005 0.000 0.586 41 F N 1.905 121.354 119.950 -0.835 0.000 2.876 41 F HA 0.289 4.586 4.527 -0.384 0.000 0.344 41 F C -1.663 173.834 175.800 -0.505 0.000 1.029 41 F CA -0.635 57.043 58.000 -0.537 0.000 1.154 41 F CB 1.636 40.461 39.000 -0.291 0.000 1.040 41 F HN 0.291 7.832 8.300 -1.265 0.000 0.576 42 c N -1.424 116.418 118.600 -1.263 0.000 3.311 42 c HA 0.367 4.846 4.570 -0.232 -0.048 0.325 42 c C -1.554 172.326 174.090 -0.349 0.000 1.352 42 c CA -0.213 55.756 56.329 -0.600 0.000 1.308 42 c CB 4.058 46.250 42.510 -0.529 0.000 1.619 42 c HN -0.751 6.424 8.230 -1.757 0.000 0.469 43 G N -0.656 108.143 108.800 -0.002 0.000 2.531 43 G HA2 0.753 5.012 3.960 0.227 0.000 0.313 43 G HA3 0.753 4.840 3.960 0.212 0.000 0.313 43 G C -2.360 172.557 174.900 0.029 0.000 1.238 43 G CA -1.433 43.747 45.100 0.134 0.000 0.994 43 G HN 0.807 9.097 8.290 -0.001 0.000 0.493 44 G N -3.780 105.076 108.800 0.094 0.000 2.600 44 G HA2 0.616 4.907 3.960 0.080 0.000 0.293 44 G HA3 0.616 4.613 3.960 0.061 0.000 0.293 44 G C -2.895 172.097 174.900 0.154 0.000 1.408 44 G CA 0.175 45.329 45.100 0.091 0.000 0.782 44 G HN -0.544 7.842 8.290 0.160 0.000 0.482 45 S N -0.371 115.426 115.700 0.161 0.000 2.561 45 S HA 0.740 5.592 4.470 0.301 -0.201 0.303 45 S C -1.307 173.402 174.600 0.182 0.000 1.110 45 S CA -0.756 57.574 58.200 0.217 0.000 1.034 45 S CB 3.501 66.808 63.200 0.179 0.000 1.010 45 S HN 0.564 8.953 8.310 0.133 0.000 0.482 46 L N 6.852 128.200 121.223 0.208 0.000 2.369 46 L HA 0.050 4.484 4.340 0.158 0.000 0.279 46 L C -0.699 176.261 176.870 0.150 0.000 1.108 46 L CA 0.315 55.258 54.840 0.172 0.000 0.852 46 L CB 0.650 42.809 42.059 0.167 0.000 1.169 46 L HN 0.618 8.896 8.230 0.267 0.112 0.452 47 I N 0.363 121.017 120.570 0.139 0.000 4.181 47 I HA 0.508 4.862 4.170 0.068 -0.143 0.331 47 I C -1.101 175.078 176.117 0.103 0.000 1.312 47 I CA -0.794 60.565 61.300 0.097 0.000 1.146 47 I CB 1.590 39.633 38.000 0.073 0.000 1.074 47 I HN 0.390 8.701 8.210 0.170 0.000 0.402 48 N N -0.328 118.464 118.700 0.152 0.000 2.710 48 N HA 0.121 4.930 4.740 0.116 0.000 0.257 48 N C -0.274 175.330 175.510 0.157 0.000 1.327 48 N CA -0.098 53.049 53.050 0.163 0.000 0.861 48 N CB 3.099 41.734 38.487 0.247 0.000 1.532 48 N HN -0.831 7.655 8.380 0.176 0.000 0.499 49 S N 1.529 117.301 115.700 0.119 0.000 2.419 49 S HA -0.367 4.148 4.470 0.075 0.000 0.235 49 S C 0.798 175.430 174.600 0.054 0.000 1.019 49 S CA 2.681 60.930 58.200 0.081 0.000 0.982 49 S CB 0.069 63.305 63.200 0.059 0.000 0.789 49 S HN 0.600 8.977 8.310 0.111 0.000 0.490 50 Q N -1.715 118.127 119.800 0.070 0.000 2.282 50 Q HA 0.224 4.480 4.340 -0.140 0.000 0.206 50 Q C -1.242 174.582 176.000 -0.293 0.000 0.878 50 Q CA -0.052 55.678 55.803 -0.122 0.000 0.944 50 Q CB 1.799 30.435 28.738 -0.170 0.000 1.100 50 Q HN -0.177 8.520 8.270 0.176 -0.322 0.509 51 W N -1.727 119.579 121.300 0.010 0.000 2.957 51 W HA 0.604 5.483 4.660 0.004 -0.217 0.336 51 W C -1.643 174.889 176.519 0.021 0.000 1.087 51 W CA -0.877 56.472 57.345 0.006 0.000 1.235 51 W CB 3.724 33.176 29.460 -0.014 0.000 1.399 51 W HN -0.265 7.942 8.180 0.256 0.128 0.480 52 V N 2.575 122.647 119.914 0.264 0.000 2.513 52 V HA 0.669 5.074 4.120 0.177 -0.179 0.299 52 V C -1.828 174.389 176.094 0.204 0.000 1.035 52 V CA -1.757 60.654 62.300 0.186 0.000 0.889 52 V CB 3.450 35.338 31.823 0.107 0.000 0.988 52 V HN 1.057 9.288 8.190 0.247 0.107 0.440 53 V N 6.956 126.968 119.914 0.164 0.000 2.532 53 V HA 0.868 5.275 4.120 0.173 -0.183 0.295 53 V C -1.986 174.171 176.094 0.106 0.000 1.041 53 V CA -2.532 59.856 62.300 0.145 0.000 0.926 53 V CB 2.122 34.025 31.823 0.133 0.000 0.992 53 V HN 0.684 8.964 8.190 0.151 0.000 0.457 54 S N 6.224 121.973 115.700 0.082 0.000 2.843 54 S HA 0.476 5.180 4.470 0.038 -0.211 0.301 54 S C -2.139 172.453 174.600 -0.014 0.000 1.206 54 S CA -1.675 56.542 58.200 0.029 0.000 0.875 54 S CB 2.547 65.748 63.200 0.002 0.000 1.248 54 S HN 0.599 8.971 8.310 0.103 0.000 0.555 55 A N -0.159 122.612 122.820 -0.081 0.000 2.309 55 A HA 0.457 4.916 4.320 -0.102 -0.201 0.298 55 A C 0.685 178.131 177.584 -0.230 0.000 1.165 55 A CA -1.301 50.647 52.037 -0.147 0.000 0.821 55 A CB 1.122 19.992 19.000 -0.216 0.000 1.102 55 A HN 0.267 8.358 8.150 -0.099 0.000 0.500 56 A N 6.412 129.002 122.820 -0.384 0.000 1.972 56 A HA -0.268 3.857 4.320 -0.326 0.000 0.219 56 A C 1.320 178.569 177.584 -0.558 0.000 1.169 56 A CA 2.774 54.417 52.037 -0.656 0.000 0.635 56 A CB -0.405 17.726 19.000 -1.448 0.000 0.810 56 A HN 0.592 8.577 8.150 -0.376 -0.061 0.446 57 H N -4.404 114.445 119.070 -0.368 0.000 2.545 57 H HA -0.090 4.551 4.556 0.142 0.000 0.282 57 H C 0.418 175.807 175.328 0.101 0.000 1.020 57 H CA 2.220 58.295 56.048 0.045 0.000 1.243 57 H CB -0.591 29.303 29.762 0.220 0.000 1.377 57 H HN 0.056 8.572 8.280 -0.217 -0.366 0.581 58 c N -1.649 116.822 118.600 -0.215 0.000 2.576 58 c HA -0.012 4.608 4.570 0.083 0.000 0.267 58 c C 0.324 174.491 174.090 0.128 0.000 1.364 58 c CA -0.593 55.734 56.329 -0.003 0.000 1.723 58 c CB -2.183 40.285 42.510 -0.071 0.000 1.778 58 c HN -0.399 7.470 8.230 -0.295 0.184 0.572 59 Y N 3.161 123.458 120.300 -0.004 0.000 2.810 59 Y HA -0.293 4.271 4.550 0.024 0.000 0.332 59 Y C -0.707 175.184 175.900 -0.015 0.000 1.243 59 Y CA 1.941 60.045 58.100 0.006 0.000 1.537 59 Y CB 0.311 38.765 38.460 -0.010 0.000 1.265 59 Y HN -0.421 7.775 8.280 0.150 0.174 0.572 60 K N 7.673 127.509 120.400 -0.939 0.000 2.482 60 K HA 0.202 4.146 4.320 -0.626 0.000 0.257 60 K C -0.898 175.106 176.600 -0.994 0.000 0.969 60 K CA -1.294 54.497 56.287 -0.826 0.000 0.842 60 K CB 2.050 34.224 32.500 -0.543 0.000 1.359 60 K HN 0.002 7.662 8.250 -0.983 0.000 0.441 61 S N -1.037 114.363 115.700 -0.500 0.000 2.399 61 S HA -0.229 4.171 4.470 -0.118 0.000 0.231 61 S C -0.486 174.013 174.600 -0.169 0.000 1.022 61 S CA 1.945 60.019 58.200 -0.211 0.000 0.983 61 S CB 0.271 63.440 63.200 -0.051 0.000 0.803 61 S HN 0.246 8.358 8.310 -0.330 0.000 0.480 62 R N -2.225 118.163 120.500 -0.186 0.000 2.532 62 R HA 0.209 4.491 4.340 -0.096 0.000 0.297 62 R C -1.989 174.239 176.300 -0.121 0.000 0.984 62 R CA -0.103 55.924 56.100 -0.122 0.000 0.884 62 R CB 2.076 32.320 30.300 -0.093 0.000 1.182 62 R HN -0.415 7.686 8.270 -0.237 0.027 0.442 63 I N 2.285 122.812 120.570 -0.072 0.000 2.607 63 I HA 0.184 4.379 4.170 0.042 0.000 0.290 63 I C -2.233 173.861 176.117 -0.038 0.000 1.129 63 I CA -0.629 60.666 61.300 -0.009 0.000 1.042 63 I CB 4.017 42.032 38.000 0.025 0.000 1.242 63 I HN 0.380 8.548 8.210 -0.070 0.000 0.421 64 Q N 6.557 126.327 119.800 -0.051 0.000 2.303 64 Q HA 0.368 4.663 4.340 -0.075 0.000 0.257 64 Q C -1.497 174.422 176.000 -0.134 0.000 0.941 64 Q CA -1.278 54.466 55.803 -0.099 0.000 0.931 64 Q CB 2.563 31.211 28.738 -0.149 0.000 1.215 64 Q HN 0.580 8.839 8.270 -0.019 0.000 0.437 65 V N 8.026 127.880 119.914 -0.100 0.000 2.432 65 V HA 0.106 4.267 4.120 -0.122 -0.114 0.275 65 V C -1.099 174.947 176.094 -0.081 0.000 1.043 65 V CA 0.485 62.732 62.300 -0.089 0.000 0.925 65 V CB 0.647 32.447 31.823 -0.039 0.000 0.985 65 V HN 0.857 8.898 8.190 -0.068 0.108 0.466 66 R N 6.899 127.332 120.500 -0.112 0.000 2.320 66 R HA 0.473 5.038 4.340 0.125 -0.150 0.319 66 R C -1.067 175.280 176.300 0.078 0.000 0.969 66 R CA -1.221 54.851 56.100 -0.047 0.000 0.857 66 R CB 0.731 30.828 30.300 -0.337 0.000 1.160 66 R HN 0.787 8.974 8.270 -0.138 0.000 0.491 70 E N -0.192 120.150 120.200 0.236 0.000 2.313 70 E HA 0.169 4.653 4.350 0.223 0.000 0.272 70 E C -1.367 175.494 176.600 0.435 0.000 1.038 70 E CA -0.082 56.493 56.400 0.291 0.000 0.863 70 E CB 1.251 31.079 29.700 0.213 0.000 1.060 70 E HN -0.485 8.004 8.360 0.257 0.025 0.402 71 H N 3.089 122.319 119.070 0.266 0.000 2.143 71 H HA 0.110 4.854 4.556 0.315 0.000 0.238 71 H C -0.588 174.954 175.328 0.356 0.000 0.914 71 H CA 1.395 57.608 56.048 0.275 0.000 1.154 71 H CB 2.655 32.492 29.762 0.125 0.000 1.359 71 H HN 0.300 8.772 8.280 0.319 0.000 0.493 72 N N 1.037 119.804 118.700 0.111 0.000 2.415 72 N HA 0.153 5.106 4.740 -0.008 -0.217 0.246 72 N C 1.999 177.517 175.510 0.013 0.000 1.078 72 N CA -0.869 52.199 53.050 0.030 0.000 0.942 72 N CB 0.034 38.538 38.487 0.028 0.000 1.140 72 N HN -0.498 8.297 8.380 0.203 -0.293 0.501 73 I N 0.874 121.372 120.570 -0.120 0.000 3.001 73 I HA -0.163 4.182 4.170 -0.212 -0.303 0.268 73 I C -0.306 175.735 176.117 -0.127 0.000 1.267 73 I CA 1.852 62.986 61.300 -0.276 0.000 1.472 73 I CB -0.409 37.165 38.000 -0.711 0.000 1.089 73 I HN 0.261 8.415 8.210 -0.094 0.000 0.468 74 D N -2.199 118.164 120.400 -0.061 0.000 2.349 74 D HA 0.121 4.745 4.640 -0.027 0.000 0.214 74 D C -0.631 175.675 176.300 0.009 0.000 1.063 74 D CA 0.563 54.550 54.000 -0.022 0.000 0.847 74 D CB 1.680 42.471 40.800 -0.015 0.000 0.933 74 D HN -0.220 8.342 8.370 -0.051 -0.223 0.513 75 V N -0.599 119.329 119.914 0.022 0.000 2.686 75 V HA 0.080 4.217 4.120 0.028 0.000 0.306 75 V C -1.531 174.589 176.094 0.042 0.000 1.065 75 V CA -1.381 60.938 62.300 0.032 0.000 0.894 75 V CB 3.672 35.514 31.823 0.030 0.000 1.004 75 V HN -0.686 7.441 8.190 0.018 0.074 0.424 76 L N 6.294 127.533 121.223 0.026 0.000 2.515 76 L HA -0.171 4.368 4.340 -0.008 -0.204 0.281 76 L C 0.258 177.127 176.870 -0.002 0.000 1.131 76 L CA 0.739 55.574 54.840 -0.007 0.000 0.905 76 L CB -1.190 40.840 42.059 -0.048 0.000 1.246 76 L HN 0.407 8.649 8.230 0.020 0.000 0.463 77 E N 5.161 125.368 120.200 0.013 0.000 2.452 77 E HA 0.019 4.383 4.350 0.023 0.000 0.197 77 E C 0.958 177.561 176.600 0.005 0.000 1.022 77 E CA 0.030 56.445 56.400 0.025 0.000 0.890 77 E CB 0.649 30.388 29.700 0.064 0.000 0.918 77 E HN 0.415 9.281 8.360 0.020 -0.494 0.496 78 G N -1.519 107.269 108.800 -0.020 0.000 2.184 78 G HA2 -0.311 3.613 3.960 -0.061 0.000 0.206 78 G HA3 -0.311 3.635 3.960 -0.024 0.000 0.206 78 G C -0.083 174.798 174.900 -0.031 0.000 0.995 78 G CA 0.384 45.463 45.100 -0.036 0.000 0.651 78 G HN 0.171 8.744 8.290 -0.033 -0.303 0.511 79 N N -1.554 117.138 118.700 -0.013 0.000 2.184 79 N HA -0.002 4.733 4.740 -0.010 0.000 0.206 79 N C -0.852 174.656 175.510 -0.004 0.000 1.151 79 N CA -0.427 52.623 53.050 -0.001 0.000 0.878 79 N CB 0.537 39.039 38.487 0.024 0.000 1.014 79 N HN 0.259 8.639 8.380 0.000 0.000 0.512 80 E N -0.264 119.912 120.200 -0.041 0.000 2.398 80 E HA 0.084 4.679 4.350 0.070 -0.203 0.263 80 E C -0.391 176.153 176.600 -0.093 0.000 1.046 80 E CA 0.702 57.076 56.400 -0.043 0.000 0.908 80 E CB 0.044 29.634 29.700 -0.183 0.000 0.963 80 E HN -0.305 8.016 8.360 -0.064 0.000 0.431 81 Q N 1.772 121.592 119.800 0.033 0.000 2.310 81 Q HA 0.264 4.572 4.340 -0.054 0.000 0.270 81 Q C -1.167 174.997 176.000 0.274 0.000 1.025 81 Q CA -1.310 54.523 55.803 0.049 0.000 0.772 81 Q CB 2.479 31.248 28.738 0.053 0.000 1.253 81 Q HN 0.380 8.631 8.270 0.140 0.103 0.450 82 F N 4.091 124.029 119.950 -0.020 0.000 2.388 82 F HA 0.826 5.508 4.527 -0.033 -0.174 0.358 82 F C 0.125 175.907 175.800 -0.029 0.000 1.122 82 F CA -3.078 54.904 58.000 -0.029 0.000 1.056 82 F CB 1.039 40.020 39.000 -0.032 0.000 1.155 82 F HN 0.321 8.682 8.300 0.101 0.000 0.461 83 I N 4.400 125.046 120.570 0.128 0.000 2.512 83 I HA 0.127 4.327 4.170 0.050 0.000 0.287 83 I C -1.472 174.645 176.117 -0.001 0.000 1.069 83 I CA -1.046 60.282 61.300 0.047 0.000 1.056 83 I CB 3.081 41.095 38.000 0.024 0.000 1.229 83 I HN 0.998 9.267 8.210 0.098 0.000 0.429 84 N N 6.471 125.164 118.700 -0.012 0.000 2.479 84 N HA -0.011 4.821 4.740 -0.043 -0.118 0.257 84 N C 0.173 175.649 175.510 -0.056 0.000 1.232 84 N CA -0.055 52.973 53.050 -0.036 0.000 0.920 84 N CB 0.576 39.045 38.487 -0.030 0.000 1.105 84 N HN 0.565 8.945 8.380 0.001 0.000 0.444 85 A N 2.618 125.399 122.820 -0.064 0.000 2.488 85 A HA -0.021 4.354 4.320 -0.107 -0.120 0.249 85 A C -0.890 176.644 177.584 -0.082 0.000 1.083 85 A CA 0.738 52.725 52.037 -0.082 0.000 0.768 85 A CB 0.241 19.202 19.000 -0.065 0.000 1.017 85 A HN 0.272 8.387 8.150 -0.057 0.000 0.496 86 A N 4.542 127.293 122.820 -0.114 0.000 1.956 86 A HA 0.133 4.412 4.320 -0.069 0.000 0.212 86 A C -0.043 177.495 177.584 -0.078 0.000 1.188 86 A CA 1.045 53.023 52.037 -0.098 0.000 0.675 86 A CB 1.158 20.081 19.000 -0.127 0.000 0.845 86 A HN 0.749 8.695 8.150 -0.162 0.107 0.455 87 K N -2.107 118.230 120.400 -0.105 0.000 2.464 87 K HA 0.328 4.657 4.320 0.016 0.000 0.253 87 K C -2.117 174.494 176.600 0.019 0.000 0.933 87 K CA -0.951 55.318 56.287 -0.030 0.000 0.801 87 K CB 3.631 36.114 32.500 -0.028 0.000 1.271 87 K HN -0.545 7.600 8.250 -0.175 0.000 0.430 88 I N 2.231 122.873 120.570 0.120 0.000 2.476 88 I HA 0.455 4.886 4.170 0.177 -0.155 0.281 88 I C -0.947 175.342 176.117 0.287 0.000 1.040 88 I CA -0.678 60.743 61.300 0.202 0.000 1.094 88 I CB 1.506 39.614 38.000 0.180 0.000 1.219 88 I HN 0.380 8.669 8.210 0.132 0.000 0.450 89 I N 9.466 130.212 120.570 0.292 0.000 2.420 89 I HA 0.321 4.630 4.170 0.232 0.000 0.282 89 I C -0.755 175.568 176.117 0.343 0.000 1.019 89 I CA -1.265 60.210 61.300 0.290 0.000 1.130 89 I CB 1.957 40.130 38.000 0.288 0.000 1.262 89 I HN 1.021 9.413 8.210 0.303 0.000 0.454 90 T N 6.240 120.925 114.554 0.218 0.000 2.904 90 T HA -0.028 4.390 4.350 0.113 0.000 0.290 90 T C -0.224 174.557 174.700 0.135 0.000 1.018 90 T CA -1.102 61.069 62.100 0.119 0.000 1.075 90 T CB 1.086 69.931 68.868 -0.039 0.000 0.986 90 T HN 0.365 8.688 8.240 0.139 0.000 0.523 91 H N 4.528 123.471 119.070 -0.211 0.000 3.034 91 H HA -0.076 3.924 4.556 -0.927 0.000 0.324 91 H C 0.687 175.917 175.328 -0.163 0.000 1.015 91 H CA 0.901 56.617 56.048 -0.554 0.000 1.429 91 H CB 1.343 30.648 29.762 -0.760 0.000 1.429 91 H HN -0.023 8.199 8.280 -0.097 0.000 0.585 92 P HA -0.139 4.262 4.420 -0.032 0.000 0.222 92 P C -0.489 176.808 177.300 -0.005 0.000 1.147 92 P CA 1.699 64.713 63.100 -0.144 0.000 0.790 92 P CB 0.294 31.907 31.700 -0.144 0.000 0.780 93 N N -3.084 115.711 118.700 0.160 0.000 2.238 93 N HA 0.051 4.849 4.740 0.098 0.000 0.222 93 N C -0.653 174.991 175.510 0.224 0.000 1.133 93 N CA -0.322 52.859 53.050 0.218 0.000 0.854 93 N CB 0.396 39.012 38.487 0.215 0.000 1.041 93 N HN -0.514 7.978 8.380 0.248 0.037 0.510 94 F N 3.182 123.181 119.950 0.082 0.000 2.612 94 F HA -0.272 4.537 4.527 -0.027 -0.298 0.389 94 F C -0.309 175.485 175.800 -0.011 0.000 1.055 94 F CA 1.161 59.163 58.000 0.003 0.000 1.232 94 F CB 0.272 39.269 39.000 -0.005 0.000 1.044 94 F HN -0.491 7.857 8.300 0.369 0.173 0.560 95 N N 8.009 126.296 118.700 -0.688 0.000 2.501 95 N HA 0.122 4.550 4.740 -0.519 0.000 0.245 95 N C -0.375 174.446 175.510 -1.149 0.000 0.974 95 N CA -1.265 51.376 53.050 -0.682 0.000 0.941 95 N CB 1.662 39.949 38.487 -0.334 0.000 1.122 95 N HN 0.179 8.284 8.380 -0.458 0.000 0.507 96 G N 5.768 113.922 108.800 -1.077 0.000 2.498 96 G HA2 -0.309 3.115 3.960 -0.895 0.000 0.219 96 G HA3 -0.309 3.420 3.960 -0.386 0.000 0.219 96 G C 0.481 175.170 174.900 -0.352 0.000 1.119 96 G CA 1.596 46.274 45.100 -0.704 0.000 0.766 96 G HN 0.625 8.448 8.290 -0.779 0.000 0.552 97 N N 1.093 119.596 118.700 -0.329 0.000 2.240 97 N HA 0.008 4.629 4.740 -0.199 0.000 0.187 97 N C 1.782 177.118 175.510 -0.290 0.000 1.042 97 N CA 1.484 54.388 53.050 -0.244 0.000 0.861 97 N CB 0.490 38.861 38.487 -0.193 0.000 1.026 97 N HN -0.020 8.387 8.380 -0.372 -0.250 0.441 98 T N -0.626 113.748 114.554 -0.301 0.000 3.055 98 T HA -0.178 3.942 4.350 -0.384 0.000 0.265 98 T C 0.747 175.224 174.700 -0.372 0.000 1.111 98 T CA 1.533 63.434 62.100 -0.332 0.000 1.118 98 T CB 0.977 69.704 68.868 -0.233 0.000 0.909 98 T HN -0.440 7.926 8.240 -0.289 -0.299 0.501 99 L N -3.194 117.861 121.223 -0.279 0.000 4.291 99 L HA -0.459 4.018 4.340 0.065 -0.098 0.413 99 L C -1.566 175.355 176.870 0.085 0.000 1.162 99 L CA 0.356 55.173 54.840 -0.038 0.000 0.961 99 L CB -2.743 39.301 42.059 -0.026 0.000 2.095 99 L HN -0.262 7.717 8.230 -0.350 0.041 0.838 100 D N -0.717 119.669 120.400 -0.023 0.000 2.443 100 D HA -0.172 4.529 4.640 0.102 0.000 0.239 100 D C 0.394 176.763 176.300 0.115 0.000 1.136 100 D CA 1.309 55.337 54.000 0.047 0.000 0.879 100 D CB 1.099 41.890 40.800 -0.014 0.000 1.195 100 D HN -0.672 7.566 8.370 -0.137 0.050 0.443 101 N N -0.319 118.439 118.700 0.096 0.000 2.738 101 N HA -0.504 4.203 4.740 -0.055 0.000 0.249 101 N C -1.006 174.515 175.510 0.018 0.000 1.047 101 N CA 1.404 54.428 53.050 -0.043 0.000 0.707 101 N CB -1.215 37.133 38.487 -0.233 0.000 0.937 101 N HN 0.564 9.011 8.380 0.111 0.000 0.545 102 D N -0.837 119.627 120.400 0.106 0.000 2.600 102 D HA 0.011 4.675 4.640 0.040 0.000 0.226 102 D C -1.795 174.412 176.300 -0.155 0.000 1.119 102 D CA -0.112 53.933 54.000 0.075 0.000 1.051 102 D CB -0.811 40.156 40.800 0.279 0.000 1.106 102 D HN -0.164 8.291 8.370 0.142 0.000 0.491 103 I N 2.212 122.594 120.570 -0.313 0.000 2.722 103 I HA 0.841 5.118 4.170 -0.165 -0.205 0.295 103 I C -3.018 173.005 176.117 -0.157 0.000 1.161 103 I CA -1.619 59.516 61.300 -0.275 0.000 1.032 103 I CB 3.889 41.583 38.000 -0.509 0.000 1.244 103 I HN -0.091 7.872 8.210 -0.342 0.042 0.421 104 M N 5.097 124.722 119.600 0.041 0.000 2.569 104 M HA 0.757 5.591 4.480 0.416 -0.104 0.279 104 M C -2.835 173.643 176.300 0.296 0.000 1.253 104 M CA -1.125 54.312 55.300 0.227 0.000 0.867 104 M CB 4.883 37.557 32.600 0.124 0.000 1.727 104 M HN 0.626 8.847 8.290 0.037 0.092 0.467 105 L N -0.113 121.327 121.223 0.361 0.000 2.341 105 L HA 0.838 5.551 4.340 0.309 -0.188 0.278 105 L C -1.377 175.715 176.870 0.370 0.000 1.005 105 L CA -1.394 53.656 54.840 0.348 0.000 0.818 105 L CB 3.564 45.755 42.059 0.220 0.000 1.259 105 L HN 0.542 9.025 8.230 0.421 0.000 0.418 106 I N 2.637 123.389 120.570 0.303 0.000 2.382 106 I HA 0.543 4.959 4.170 0.083 -0.196 0.286 106 I C -1.386 174.662 176.117 -0.115 0.000 1.002 106 I CA -1.369 59.992 61.300 0.101 0.000 1.135 106 I CB 2.244 40.272 38.000 0.047 0.000 1.288 106 I HN 1.049 9.457 8.210 0.330 0.000 0.448 107 K N 7.958 128.041 120.400 -0.529 0.000 2.227 107 K HA 0.584 4.255 4.320 -1.422 -0.204 0.280 107 K C -0.694 175.602 176.600 -0.506 0.000 1.041 107 K CA -1.448 54.200 56.287 -1.065 0.000 0.905 107 K CB 2.029 33.668 32.500 -1.435 0.000 1.068 107 K HN 0.605 8.555 8.250 -0.318 0.109 0.470 108 L N 6.869 127.843 121.223 -0.416 0.000 2.426 108 L HA -0.051 4.189 4.340 -0.168 0.000 0.271 108 L C 0.871 177.620 176.870 -0.202 0.000 1.169 108 L CA 0.460 55.165 54.840 -0.225 0.000 0.836 108 L CB 0.227 42.193 42.059 -0.154 0.000 1.112 108 L HN 0.573 8.382 8.230 -0.517 0.111 0.465 109 S N 2.641 118.264 115.700 -0.128 0.000 2.423 109 S HA -0.240 4.164 4.470 -0.109 0.000 0.231 109 S C -0.062 174.493 174.600 -0.075 0.000 1.014 109 S CA 2.272 60.415 58.200 -0.095 0.000 0.965 109 S CB 0.530 63.693 63.200 -0.063 0.000 0.785 109 S HN 0.716 8.963 8.310 -0.105 0.000 0.495 110 S N -0.147 115.513 115.700 -0.067 0.000 2.564 110 S HA 0.308 4.748 4.470 -0.051 0.000 0.274 110 S C -3.005 171.566 174.600 -0.048 0.000 1.124 110 S CA -2.582 55.589 58.200 -0.048 0.000 0.869 110 S CB 2.082 65.266 63.200 -0.026 0.000 1.105 110 S HN -0.810 7.424 8.310 -0.071 0.033 0.472 111 P HA -0.073 4.433 4.420 -0.038 -0.109 0.271 111 P C -0.987 176.311 177.300 -0.004 0.000 1.216 111 P CA -0.451 62.637 63.100 -0.021 0.000 0.771 111 P CB 0.394 32.092 31.700 -0.004 0.000 0.864 112 A N 3.429 126.253 122.820 0.008 0.000 2.462 112 A HA -0.007 4.417 4.320 0.022 -0.091 0.243 112 A C -0.181 177.419 177.584 0.027 0.000 1.076 112 A CA -0.267 51.784 52.037 0.024 0.000 0.773 112 A CB 0.792 19.817 19.000 0.041 0.000 1.010 112 A HN 0.488 8.542 8.150 0.006 0.100 0.493 113 T N 1.454 116.023 114.554 0.024 0.000 2.794 113 T HA -0.076 4.288 4.350 0.023 0.000 0.296 113 T C -0.539 174.179 174.700 0.031 0.000 0.949 113 T CA -0.238 61.876 62.100 0.023 0.000 1.101 113 T CB 0.675 69.551 68.868 0.014 0.000 0.905 113 T HN 0.052 8.637 8.240 0.023 -0.331 0.516 114 L N 7.048 128.291 121.223 0.033 0.000 2.276 114 L HA 0.372 4.924 4.340 0.047 -0.184 0.286 114 L C -0.692 176.197 176.870 0.032 0.000 1.061 114 L CA -0.740 54.124 54.840 0.040 0.000 0.807 114 L CB 0.489 42.575 42.059 0.045 0.000 1.177 114 L HN 0.284 8.532 8.230 0.030 0.000 0.429 115 N N 4.619 123.339 118.700 0.033 0.000 3.439 115 N HA 0.246 5.000 4.740 0.024 0.000 0.313 115 N C -0.594 174.933 175.510 0.029 0.000 1.598 115 N CA -0.816 52.249 53.050 0.026 0.000 0.830 115 N CB 0.823 39.321 38.487 0.019 0.000 1.849 115 N HN 0.490 8.787 8.380 0.040 0.107 0.598 116 S N -2.795 112.918 115.700 0.021 0.000 2.423 116 S HA -0.253 4.233 4.470 0.025 0.000 0.231 116 S C 0.694 175.305 174.600 0.018 0.000 1.014 116 S CA 2.571 60.783 58.200 0.020 0.000 0.965 116 S CB -0.326 62.881 63.200 0.012 0.000 0.785 116 S HN 0.273 8.593 8.310 0.017 0.000 0.495 117 R N -1.636 118.875 120.500 0.019 0.000 2.290 117 R HA 0.203 4.546 4.340 0.005 0.000 0.197 117 R C -0.825 175.493 176.300 0.030 0.000 0.913 117 R CA -1.253 54.858 56.100 0.017 0.000 1.040 117 R CB 1.291 31.603 30.300 0.020 0.000 0.992 117 R HN -0.395 8.097 8.270 0.020 -0.210 0.500 118 V N -1.281 118.658 119.914 0.042 0.000 2.462 118 V HA 0.443 4.802 4.120 0.063 -0.201 0.288 118 V C -2.445 173.691 176.094 0.070 0.000 1.020 118 V CA -1.238 61.097 62.300 0.059 0.000 0.857 118 V CB 2.149 34.007 31.823 0.058 0.000 1.013 118 V HN -0.242 8.175 8.190 0.038 -0.205 0.431 119 A N 6.818 129.696 122.820 0.097 0.000 2.587 119 A HA 0.558 4.933 4.320 0.091 0.000 0.293 119 A C -2.621 175.059 177.584 0.160 0.000 1.087 119 A CA -1.266 50.840 52.037 0.114 0.000 0.692 119 A CB 3.252 22.322 19.000 0.116 0.000 1.291 119 A HN 0.248 8.351 8.150 0.108 0.112 0.407 120 T N -1.746 112.885 114.554 0.128 0.000 2.882 120 T HA 0.286 4.911 4.350 0.145 -0.188 0.287 120 T C -0.119 174.639 174.700 0.097 0.000 1.014 120 T CA -0.971 61.201 62.100 0.119 0.000 1.049 120 T CB 1.327 70.244 68.868 0.082 0.000 1.001 120 T HN -0.086 8.214 8.240 0.100 0.000 0.525 121 V N 2.127 122.052 119.914 0.019 0.000 2.581 121 V HA 0.234 4.285 4.120 -0.115 0.000 0.303 121 V C -1.165 174.872 176.094 -0.095 0.000 1.041 121 V CA -2.198 60.015 62.300 -0.146 0.000 0.907 121 V CB 2.604 34.100 31.823 -0.546 0.000 0.994 121 V HN 0.322 8.539 8.190 0.045 0.000 0.442 122 S N 7.328 122.973 115.700 -0.091 0.000 2.562 122 S HA 0.046 4.498 4.470 -0.030 0.000 0.281 122 S C -0.522 174.046 174.600 -0.054 0.000 1.333 122 S CA 0.727 58.895 58.200 -0.053 0.000 1.052 122 S CB 0.648 63.822 63.200 -0.043 0.000 0.884 122 S HN -0.123 8.124 8.310 -0.105 0.000 0.506 123 L N 3.930 125.137 121.223 -0.026 0.000 2.464 123 L HA -0.043 4.293 4.340 -0.008 0.000 0.264 123 L C -1.107 175.756 176.870 -0.011 0.000 1.199 123 L CA -1.343 53.492 54.840 -0.009 0.000 0.818 123 L CB -0.507 41.555 42.059 0.006 0.000 1.102 123 L HN 0.296 8.514 8.230 -0.019 0.000 0.473 124 P HA 0.086 4.658 4.420 -0.018 -0.163 0.279 124 P C -1.168 176.130 177.300 -0.003 0.000 1.239 124 P CA -0.909 62.187 63.100 -0.006 0.000 0.789 124 P CB 0.714 32.414 31.700 0.001 0.000 0.933 128 c N 2.376 120.970 118.600 -0.011 0.000 2.605 128 c HA 0.066 4.765 4.570 -0.006 -0.132 0.404 128 c C 0.565 174.646 174.090 -0.015 0.000 1.284 128 c CA -1.065 55.258 56.329 -0.011 0.000 2.199 128 c CB -0.045 42.458 42.510 -0.012 0.000 2.647 128 c HN 0.047 8.270 8.230 -0.012 0.000 0.604 129 A N 4.251 127.060 122.820 -0.019 0.000 2.440 129 A HA -0.040 4.265 4.320 -0.025 0.000 0.251 129 A C -0.753 176.815 177.584 -0.027 0.000 1.089 129 A CA 0.019 52.040 52.037 -0.027 0.000 0.779 129 A CB 0.505 19.481 19.000 -0.039 0.000 1.022 129 A HN 0.331 8.567 8.150 -0.017 -0.097 0.492 133 G N 1.697 110.463 108.800 -0.057 0.000 2.176 133 G HA2 -0.368 3.549 3.960 -0.073 0.000 0.253 133 G HA3 -0.368 3.568 3.960 -0.040 0.000 0.253 133 G C -0.182 174.687 174.900 -0.052 0.000 0.979 133 G CA -0.052 45.015 45.100 -0.056 0.000 0.641 133 G HN 0.756 8.883 8.290 -0.071 0.120 0.530 134 T N 3.578 118.101 114.554 -0.052 0.000 2.902 134 T HA -0.192 4.138 4.350 -0.034 0.000 0.301 134 T C -0.317 174.349 174.700 -0.056 0.000 1.012 134 T CA 1.974 64.046 62.100 -0.046 0.000 1.151 134 T CB 0.406 69.247 68.868 -0.045 0.000 0.946 134 T HN -0.349 7.792 8.240 -0.053 0.067 0.542 135 E N 5.943 126.121 120.200 -0.036 0.000 2.316 135 E HA 0.030 4.353 4.350 -0.044 0.000 0.275 135 E C -0.650 175.932 176.600 -0.029 0.000 1.029 135 E CA -0.073 56.310 56.400 -0.027 0.000 0.871 135 E CB 0.418 30.119 29.700 0.003 0.000 1.022 135 E HN 0.176 8.521 8.360 -0.025 0.000 0.418 136 c N 2.556 121.133 118.600 -0.039 0.000 2.913 136 c HA 0.615 5.298 4.570 -0.027 -0.129 0.322 136 c C -1.551 172.538 174.090 -0.001 0.000 1.292 136 c CA -1.321 54.984 56.329 -0.040 0.000 1.649 136 c CB 4.225 46.674 42.510 -0.101 0.000 2.139 136 c HN 0.901 8.986 8.230 -0.052 0.114 0.475 137 L N 0.992 122.224 121.223 0.014 0.000 2.325 137 L HA 0.774 5.318 4.340 0.056 -0.170 0.281 137 L C -2.161 174.721 176.870 0.021 0.000 1.004 137 L CA -1.365 53.502 54.840 0.045 0.000 0.823 137 L CB 3.081 45.193 42.059 0.089 0.000 1.236 137 L HN 0.677 8.802 8.230 0.006 0.109 0.415 138 I N 7.212 127.781 120.570 -0.002 0.000 2.441 138 I HA 0.841 5.238 4.170 0.015 -0.217 0.295 138 I C -1.152 174.942 176.117 -0.038 0.000 0.994 138 I CA -1.589 59.710 61.300 -0.002 0.000 1.144 138 I CB 1.762 39.768 38.000 0.011 0.000 1.314 138 I HN 0.951 9.164 8.210 0.004 0.000 0.445 139 S N 3.093 118.771 115.700 -0.038 0.000 2.618 139 S HA 0.990 5.503 4.470 -0.202 -0.164 0.277 139 S C -1.131 173.383 174.600 -0.144 0.000 1.138 139 S CA -1.761 56.347 58.200 -0.154 0.000 0.844 139 S CB 3.752 66.819 63.200 -0.221 0.000 1.127 139 S HN -0.193 8.131 8.310 0.023 0.000 0.474 140 G N -1.212 107.412 108.800 -0.294 0.000 2.320 140 G HA2 0.169 3.956 3.960 -0.288 0.000 0.297 140 G HA3 0.169 4.273 3.960 -0.011 -0.150 0.297 140 G C -2.167 172.528 174.900 -0.343 0.000 1.344 140 G CA 0.591 45.549 45.100 -0.237 0.000 0.851 140 G HN 0.098 8.144 8.290 -0.406 0.000 0.567 141 W N 1.170 122.385 121.300 -0.142 0.000 3.151 141 W HA 0.368 4.932 4.660 -0.160 0.000 0.424 141 W C -0.140 176.359 176.519 -0.034 0.000 1.012 141 W CA -0.828 56.380 57.345 -0.230 0.000 2.018 141 W CB 0.102 29.199 29.460 -0.605 0.000 1.087 141 W HN 0.587 8.955 8.180 0.313 0.000 0.740 142 G N 0.798 109.740 108.800 0.238 0.000 2.588 142 G HA2 -0.076 4.225 3.960 0.508 0.000 0.278 142 G HA3 -0.076 4.171 3.960 0.252 -0.135 0.278 142 G C -1.081 173.890 174.900 0.119 0.000 1.307 142 G CA -0.796 44.487 45.100 0.305 0.000 1.016 142 G HN -0.307 8.286 8.290 0.146 -0.215 0.503 143 N N -0.231 118.456 118.700 -0.021 0.000 2.357 143 N HA -0.313 4.071 4.740 -0.907 -0.188 0.257 143 N C 0.912 176.305 175.510 -0.195 0.000 1.250 143 N CA 0.731 53.535 53.050 -0.410 0.000 0.862 143 N CB 0.427 38.722 38.487 -0.321 0.000 1.066 143 N HN 0.107 8.608 8.380 0.202 0.000 0.468 144 T N 0.186 114.611 114.554 -0.214 0.000 3.086 144 T HA 0.164 4.600 4.350 -0.085 -0.137 0.250 144 T C 0.237 174.879 174.700 -0.097 0.000 1.074 144 T CA 0.483 62.512 62.100 -0.118 0.000 0.988 144 T CB 0.918 69.729 68.868 -0.095 0.000 0.988 144 T HN 0.401 8.456 8.240 -0.309 0.000 0.530 145 K N 3.012 123.341 120.400 -0.118 0.000 2.221 145 K HA 0.315 4.602 4.320 -0.056 0.000 0.258 145 K C 0.193 176.760 176.600 -0.055 0.000 0.944 145 K CA -1.211 55.029 56.287 -0.077 0.000 0.823 145 K CB 2.086 34.538 32.500 -0.080 0.000 1.113 145 K HN -0.394 8.046 8.250 -0.178 -0.296 0.431 146 S N 4.022 119.704 115.700 -0.031 0.000 2.414 146 S HA -0.171 4.291 4.470 -0.012 0.000 0.227 146 S C 0.645 175.236 174.600 -0.014 0.000 1.022 146 S CA 1.622 59.813 58.200 -0.015 0.000 0.958 146 S CB 0.388 63.586 63.200 -0.003 0.000 0.797 146 S HN 0.448 8.741 8.310 -0.028 0.000 0.493 147 S N 1.858 117.548 115.700 -0.016 0.000 2.474 147 S HA 0.054 4.520 4.470 -0.007 0.000 0.320 147 S C -0.490 174.100 174.600 -0.016 0.000 1.067 147 S CA -0.945 57.248 58.200 -0.011 0.000 1.127 147 S CB -0.152 63.044 63.200 -0.007 0.000 0.971 147 S HN -0.534 7.764 8.310 -0.021 0.000 0.472 148 G N 6.373 115.165 108.800 -0.013 0.000 2.508 148 G HA2 -0.192 3.769 3.960 0.002 0.000 0.220 148 G HA3 -0.192 3.762 3.960 -0.010 0.000 0.220 148 G C -2.356 172.526 174.900 -0.030 0.000 1.287 148 G CA -0.480 44.614 45.100 -0.011 0.000 0.916 148 G HN 0.067 8.352 8.290 -0.009 0.000 0.574 149 S N -0.673 115.004 115.700 -0.039 0.000 2.546 149 S HA 0.113 4.678 4.470 -0.184 -0.206 0.274 149 S C -1.677 172.834 174.600 -0.148 0.000 1.121 149 S CA -1.001 57.127 58.200 -0.121 0.000 0.887 149 S CB 2.880 66.062 63.200 -0.030 0.000 1.094 149 S HN -0.155 8.145 8.310 -0.018 0.000 0.474 150 S N 0.896 116.405 115.700 -0.319 0.000 2.566 150 S HA 0.280 4.696 4.470 -0.089 0.000 0.273 150 S C -2.274 172.063 174.600 -0.437 0.000 1.157 150 S CA -0.731 57.330 58.200 -0.231 0.000 0.938 150 S CB 2.266 65.397 63.200 -0.114 0.000 1.087 150 S HN 0.571 8.934 8.310 -0.481 -0.341 0.474 151 Y N 4.785 125.107 120.300 0.038 0.000 2.331 151 Y HA 0.227 4.811 4.550 0.057 0.000 0.338 151 Y C -1.276 174.649 175.900 0.041 0.000 0.976 151 Y CA -2.940 55.190 58.100 0.050 0.000 1.137 151 Y CB 0.895 39.391 38.460 0.061 0.000 1.172 151 Y HN 0.134 8.486 8.280 0.121 0.000 0.478 152 P HA 0.207 4.666 4.420 0.064 0.000 0.282 152 P C -1.122 176.269 177.300 0.151 0.000 1.249 152 P CA -0.892 62.270 63.100 0.103 0.000 0.806 152 P CB 1.110 32.840 31.700 0.050 0.000 0.984 153 S N -0.572 115.183 115.700 0.091 0.000 2.406 153 S HA -0.066 4.556 4.470 0.040 -0.128 0.228 153 S C -0.325 174.356 174.600 0.135 0.000 1.020 153 S CA 2.182 60.424 58.200 0.070 0.000 0.965 153 S CB 0.856 64.068 63.200 0.020 0.000 0.798 153 S HN 0.268 8.612 8.310 0.058 0.000 0.488 154 L N -1.597 119.652 121.223 0.044 0.000 2.322 154 L HA 0.304 4.661 4.340 -0.294 -0.194 0.279 154 L C -0.596 176.125 176.870 -0.249 0.000 1.036 154 L CA -1.670 53.052 54.840 -0.196 0.000 0.807 154 L CB 1.655 43.530 42.059 -0.306 0.000 1.226 154 L HN -0.781 7.440 8.230 0.022 0.022 0.433 155 L N 2.854 123.784 121.223 -0.488 0.000 2.559 155 L HA -0.143 3.185 4.340 -1.687 0.000 0.274 155 L C -0.834 175.758 176.870 -0.464 0.000 1.205 155 L CA 1.028 55.326 54.840 -0.902 0.000 0.907 155 L CB 0.607 42.206 42.059 -0.766 0.000 1.153 155 L HN -0.140 7.817 8.230 -0.456 0.000 0.490 156 Q N 5.480 124.982 119.800 -0.497 0.000 2.226 156 Q HA 0.500 4.783 4.340 -0.321 -0.136 0.256 156 Q C -1.091 174.656 176.000 -0.421 0.000 0.962 156 Q CA -1.877 53.707 55.803 -0.364 0.000 0.887 156 Q CB 2.806 31.388 28.738 -0.261 0.000 1.282 156 Q HN 0.200 8.090 8.270 -0.633 0.000 0.449 157 c N -0.147 118.106 118.600 -0.578 0.000 2.712 157 c HA 0.913 5.422 4.570 -0.407 -0.183 0.308 157 c C -1.927 171.749 174.090 -0.690 0.000 1.201 157 c CA -0.691 55.226 56.329 -0.687 0.000 1.554 157 c CB 3.975 45.897 42.510 -0.981 0.000 2.117 157 c HN 0.820 8.650 8.230 -0.667 0.000 0.480 158 L N 1.137 122.193 121.223 -0.279 0.000 2.516 158 L HA 0.394 4.765 4.340 0.052 0.000 0.267 158 L C -2.380 174.564 176.870 0.123 0.000 0.957 158 L CA 0.067 54.900 54.840 -0.012 0.000 0.860 158 L CB 4.319 46.396 42.059 0.030 0.000 1.265 158 L HN 0.737 8.850 8.230 -0.194 0.000 0.403 159 K N 7.442 127.995 120.400 0.255 0.000 2.339 159 K HA 0.529 5.141 4.320 0.157 -0.198 0.286 159 K C -0.788 175.982 176.600 0.283 0.000 1.050 159 K CA -0.744 55.677 56.287 0.224 0.000 0.956 159 K CB -0.396 32.237 32.500 0.222 0.000 0.990 159 K HN 0.279 8.733 8.250 0.341 0.000 0.475 160 A N 3.734 126.634 122.820 0.134 0.000 2.589 160 A HA 0.511 4.839 4.320 0.013 0.000 0.296 160 A C -3.558 173.914 177.584 -0.188 0.000 1.062 160 A CA -1.827 50.191 52.037 -0.030 0.000 0.686 160 A CB 2.688 21.665 19.000 -0.039 0.000 1.282 160 A HN 0.718 8.905 8.150 0.061 0.000 0.404 161 P HA 0.609 5.143 4.420 -0.157 -0.208 0.290 161 P C -0.853 176.301 177.300 -0.243 0.000 1.275 161 P CA -1.525 61.429 63.100 -0.243 0.000 0.841 161 P CB 1.519 33.080 31.700 -0.231 0.000 1.042 162 V N 1.576 121.390 119.914 -0.166 0.000 2.599 162 V HA -0.260 3.767 4.120 -0.154 0.000 0.300 162 V C 0.111 176.136 176.094 -0.114 0.000 1.034 162 V CA 1.553 63.772 62.300 -0.135 0.000 1.115 162 V CB -0.084 31.681 31.823 -0.096 0.000 0.934 162 V HN 0.088 8.197 8.190 -0.135 0.000 0.485 163 L N 6.798 127.965 121.223 -0.093 0.000 2.379 163 L HA 0.182 4.476 4.340 -0.076 0.000 0.269 163 L C -0.487 176.363 176.870 -0.034 0.000 1.084 163 L CA -1.102 53.699 54.840 -0.065 0.000 0.802 163 L CB 0.894 42.923 42.059 -0.050 0.000 1.175 163 L HN 0.395 8.473 8.230 -0.085 0.101 0.448 164 S N 0.060 115.745 115.700 -0.024 0.000 2.568 164 S HA -0.215 4.247 4.470 -0.013 0.000 0.282 164 S C 0.611 175.214 174.600 0.004 0.000 1.338 164 S CA -0.452 57.742 58.200 -0.011 0.000 1.045 164 S CB 1.122 64.317 63.200 -0.009 0.000 0.873 164 S HN 0.149 8.442 8.310 -0.029 0.000 0.516 165 D N 2.592 122.997 120.400 0.009 0.000 2.144 165 D HA -0.321 4.336 4.640 0.029 0.000 0.199 165 D C 1.776 178.092 176.300 0.027 0.000 0.984 165 D CA 3.696 57.709 54.000 0.022 0.000 0.834 165 D CB -0.255 40.556 40.800 0.018 0.000 0.955 165 D HN 0.549 8.921 8.370 0.004 0.000 0.465 166 S N -1.346 114.365 115.700 0.018 0.000 2.348 166 S HA -0.265 4.218 4.470 0.022 0.000 0.221 166 S C 2.075 176.687 174.600 0.019 0.000 1.033 166 S CA 3.487 61.698 58.200 0.017 0.000 1.010 166 S CB -0.102 63.104 63.200 0.009 0.000 0.891 166 S HN -0.149 8.160 8.310 0.011 0.008 0.442 167 S N 4.433 120.140 115.700 0.013 0.000 2.368 167 S HA -0.313 4.159 4.470 0.002 0.000 0.225 167 S C 1.955 176.571 174.600 0.027 0.000 1.030 167 S CA 4.254 62.459 58.200 0.009 0.000 0.999 167 S CB -0.199 63.000 63.200 -0.001 0.000 0.844 167 S HN -0.478 7.836 8.310 0.008 0.000 0.459 168 c N 2.761 121.391 118.600 0.050 0.000 2.413 168 c HA -0.329 4.318 4.570 0.129 0.000 0.276 168 c C 1.965 176.146 174.090 0.152 0.000 1.236 168 c CA 2.750 59.143 56.329 0.106 0.000 1.735 168 c CB -1.705 40.855 42.510 0.084 0.000 2.031 168 c HN 0.111 8.363 8.230 0.036 0.000 0.474 169 K N -1.313 119.149 120.400 0.104 0.000 2.155 169 K HA -0.303 4.114 4.320 0.161 0.000 0.203 169 K C 2.020 178.668 176.600 0.080 0.000 1.052 169 K CA 2.833 59.185 56.287 0.110 0.000 0.948 169 K CB 0.018 32.562 32.500 0.073 0.000 0.728 169 K HN 0.023 8.316 8.250 0.072 0.000 0.448 170 S N -0.577 115.146 115.700 0.038 0.000 2.428 170 S HA -0.122 4.353 4.470 0.009 0.000 0.230 170 S C 1.814 176.389 174.600 -0.042 0.000 1.014 170 S CA 2.848 61.050 58.200 0.003 0.000 0.957 170 S CB -0.208 62.989 63.200 -0.006 0.000 0.784 170 S HN -0.011 8.320 8.310 0.036 0.000 0.499 171 S N 1.246 116.900 115.700 -0.077 0.000 2.406 171 S HA -0.098 4.209 4.470 -0.271 0.000 0.228 171 S C -1.111 173.227 174.600 -0.436 0.000 1.020 171 S CA 3.525 61.549 58.200 -0.294 0.000 0.965 171 S CB 1.002 63.977 63.200 -0.376 0.000 0.798 171 S HN -0.561 7.634 8.310 -0.015 0.106 0.488 172 Y N -1.738 118.582 120.300 0.033 0.000 2.535 172 Y HA 0.355 4.944 4.550 0.064 0.000 0.351 172 Y C -2.780 173.163 175.900 0.071 0.000 1.050 172 Y CA -3.057 55.091 58.100 0.079 0.000 1.168 172 Y CB 0.674 39.232 38.460 0.163 0.000 1.116 172 Y HN -0.742 7.541 8.280 0.167 0.097 0.654 173 P HA -0.034 4.562 4.420 0.086 -0.125 0.261 173 P C 0.434 177.794 177.300 0.100 0.000 1.183 173 P CA 0.577 63.731 63.100 0.092 0.000 0.761 173 P CB 0.118 31.842 31.700 0.040 0.000 0.785 174 G N 5.261 114.113 108.800 0.087 0.000 2.189 174 G HA2 -0.249 3.743 3.960 0.053 0.000 0.267 174 G HA3 -0.249 3.741 3.960 0.048 0.000 0.267 174 G C 0.434 175.382 174.900 0.079 0.000 0.975 174 G CA 1.045 46.184 45.100 0.066 0.000 0.644 174 G HN 0.469 8.808 8.290 0.082 0.000 0.537 175 Q N -2.262 117.622 119.800 0.140 0.000 2.317 175 Q HA 0.175 4.555 4.340 0.067 0.000 0.220 175 Q C -0.216 175.904 176.000 0.200 0.000 0.873 175 Q CA -0.393 55.503 55.803 0.155 0.000 0.936 175 Q CB 1.172 30.067 28.738 0.262 0.000 1.105 175 Q HN -0.224 8.086 8.270 0.182 0.070 0.520 176 I N 1.439 122.118 120.570 0.181 0.000 2.297 176 I HA 0.074 4.370 4.170 0.210 0.000 0.291 176 I C -0.441 175.741 176.117 0.109 0.000 1.033 176 I CA -1.884 59.514 61.300 0.162 0.000 1.253 176 I CB -1.704 36.378 38.000 0.136 0.000 1.396 176 I HN -0.427 7.882 8.210 0.165 0.000 0.476 177 T N 3.053 117.670 114.554 0.105 0.000 2.788 177 T HA 0.149 4.530 4.350 0.051 0.000 0.280 177 T C 1.823 176.557 174.700 0.057 0.000 0.984 177 T CA -1.278 60.863 62.100 0.067 0.000 0.972 177 T CB 2.102 71.006 68.868 0.059 0.000 1.039 177 T HN -0.524 7.801 8.240 0.142 0.000 0.530 178 G N -0.645 108.174 108.800 0.031 0.000 2.535 178 G HA2 -0.165 3.806 3.960 0.017 0.000 0.218 178 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.218 178 G C -0.109 174.799 174.900 0.013 0.000 1.122 178 G CA 1.389 46.497 45.100 0.014 0.000 0.769 178 G HN 0.531 8.835 8.290 0.023 0.000 0.549 179 N N -0.799 117.928 118.700 0.045 0.000 2.235 179 N HA 0.117 4.882 4.740 0.042 0.000 0.209 179 N C -1.508 174.087 175.510 0.143 0.000 1.122 179 N CA -0.503 52.599 53.050 0.087 0.000 0.845 179 N CB 0.983 39.545 38.487 0.126 0.000 1.004 179 N HN -0.539 7.798 8.380 0.058 0.079 0.499 180 M N -0.971 118.696 119.600 0.112 0.000 2.457 180 M HA 0.683 5.429 4.480 0.132 -0.187 0.300 180 M C -1.803 174.542 176.300 0.076 0.000 1.141 180 M CA -0.183 55.184 55.300 0.112 0.000 0.901 180 M CB 4.763 37.440 32.600 0.128 0.000 1.687 180 M HN -0.758 7.513 8.290 0.087 0.071 0.449 181 I N -6.620 113.997 120.570 0.079 0.000 2.828 181 I HA 0.619 4.817 4.170 0.047 0.000 0.302 181 I C -2.541 173.630 176.117 0.091 0.000 1.101 181 I CA -2.618 58.722 61.300 0.067 0.000 1.031 181 I CB 3.979 42.011 38.000 0.054 0.000 1.231 181 I HN 0.669 8.942 8.210 0.105 0.000 0.427 182 c N 2.469 121.110 118.600 0.068 0.000 2.341 182 c HA 0.813 5.690 4.570 0.162 -0.209 0.338 182 c C -0.497 173.624 174.090 0.051 0.000 1.257 182 c CA -0.735 55.653 56.329 0.099 0.000 1.883 182 c CB 0.708 43.264 42.510 0.076 0.000 2.334 182 c HN 0.818 9.073 8.230 0.042 0.000 0.524 183 V N 3.864 123.823 119.914 0.074 0.000 2.439 183 V HA 0.410 4.580 4.120 -0.166 -0.149 0.277 183 V C -1.887 174.171 176.094 -0.061 0.000 1.008 183 V CA -0.321 61.896 62.300 -0.139 0.000 0.846 183 V CB 1.427 32.963 31.823 -0.478 0.000 1.031 183 V HN 0.068 8.435 8.190 0.294 0.000 0.441 184 F N 4.624 124.600 119.950 0.043 0.000 2.388 184 F HA 0.345 4.886 4.527 0.023 0.000 0.358 184 F C 0.762 176.578 175.800 0.026 0.000 1.122 184 F CA -0.572 57.446 58.000 0.030 0.000 1.056 184 F CB 1.040 40.057 39.000 0.028 0.000 1.155 184 F HN 0.209 8.655 8.300 0.243 0.000 0.461 185 L N 3.743 125.052 121.223 0.143 0.000 2.275 185 L HA -0.326 4.052 4.340 0.064 0.000 0.215 185 L C 1.485 178.409 176.870 0.090 0.000 1.119 185 L CA 2.446 57.336 54.840 0.083 0.000 0.790 185 L CB -0.467 41.615 42.059 0.039 0.000 0.919 185 L HN 0.449 8.745 8.230 0.110 0.000 0.443 186 E N -1.588 118.685 120.200 0.122 0.000 2.268 186 E HA -0.192 4.192 4.350 0.057 0.000 0.195 186 E C 0.629 177.271 176.600 0.070 0.000 0.995 186 E CA 0.603 57.052 56.400 0.082 0.000 0.836 186 E CB -0.095 29.651 29.700 0.075 0.000 0.763 186 E HN 0.068 8.510 8.360 0.173 0.022 0.491 187 G N 0.730 109.590 108.800 0.101 0.000 3.383 187 G HA2 -0.319 3.748 3.960 0.101 0.000 0.685 187 G HA3 -0.319 3.690 3.960 0.057 -0.015 0.685 187 G C -1.030 173.898 174.900 0.047 0.000 1.104 187 G CA -0.318 44.830 45.100 0.080 0.000 0.957 187 G HN -0.580 7.676 8.290 0.159 0.129 0.461 188 K N 1.083 121.500 120.400 0.029 0.000 6.074 188 K HA -0.556 4.020 4.320 0.025 -0.241 0.850 188 K C -1.750 174.976 176.600 0.211 0.000 2.043 188 K CA 0.180 56.503 56.287 0.060 0.000 1.609 188 K CB 0.099 32.513 32.500 -0.144 0.000 2.376 188 K HN 0.358 8.660 8.250 0.087 0.000 0.262 189 D N 1.717 122.211 120.400 0.156 0.000 2.671 189 D HA 0.307 5.086 4.640 0.231 0.000 0.273 189 D C -1.825 174.558 176.300 0.137 0.000 1.264 189 D CA -0.681 53.423 54.000 0.174 0.000 0.788 189 D CB 4.226 45.111 40.800 0.141 0.000 1.324 189 D HN 0.111 8.542 8.370 0.103 0.000 0.424 190 S N -0.798 115.002 115.700 0.167 0.000 2.617 190 S HA 0.339 4.960 4.470 0.104 -0.089 0.269 190 S C -0.894 173.758 174.600 0.087 0.000 1.292 190 S CA 0.135 58.413 58.200 0.130 0.000 1.010 190 S CB 0.992 64.298 63.200 0.178 0.000 0.944 190 S HN 0.279 8.709 8.310 0.199 0.000 0.536 191 c N -1.411 117.241 118.600 0.088 0.000 3.318 191 c HA 0.310 4.927 4.570 0.079 0.000 0.329 191 c C -1.153 173.022 174.090 0.143 0.000 1.449 191 c CA -0.749 55.633 56.329 0.089 0.000 1.397 191 c CB 4.095 46.636 42.510 0.052 0.000 1.810 191 c HN 0.690 9.374 8.230 0.099 -0.395 0.449 192 Q N 1.690 121.591 119.800 0.168 0.000 2.618 192 Q HA -0.432 4.040 4.340 0.220 0.000 0.344 192 Q C 1.048 177.257 176.000 0.348 0.000 1.073 192 Q CA 2.365 58.314 55.803 0.242 0.000 1.105 192 Q CB 0.260 29.148 28.738 0.251 0.000 1.028 192 Q HN 0.785 9.134 8.270 0.131 0.000 0.397 193 G N 6.204 115.190 108.800 0.311 0.000 2.213 193 G HA2 -0.426 3.696 3.960 0.271 0.000 0.236 193 G HA3 -0.426 3.818 3.960 0.474 0.000 0.236 193 G C 0.685 175.815 174.900 0.383 0.000 0.991 193 G CA 0.856 46.174 45.100 0.365 0.000 0.629 193 G HN 0.848 9.296 8.290 0.263 0.000 0.517 194 D N 1.507 122.070 120.400 0.272 0.000 2.323 194 D HA -0.009 4.777 4.640 0.244 0.000 0.209 194 D C 0.157 176.562 176.300 0.176 0.000 0.973 194 D CA 1.722 55.852 54.000 0.216 0.000 0.874 194 D CB 0.100 40.996 40.800 0.160 0.000 0.930 194 D HN 0.206 8.649 8.370 0.243 0.072 0.521 195 S N -1.087 114.711 115.700 0.163 0.000 2.573 195 S HA -0.321 4.386 4.470 0.148 -0.148 0.297 195 S C 1.309 175.916 174.600 0.012 0.000 1.280 195 S CA 2.481 60.750 58.200 0.114 0.000 1.061 195 S CB -0.245 63.040 63.200 0.140 0.000 0.812 195 S HN -0.196 8.192 8.310 0.197 0.040 0.500 196 G N 4.753 113.556 108.800 0.005 0.000 2.225 196 G HA2 -0.450 3.568 3.960 -0.016 0.000 0.254 196 G HA3 -0.450 3.575 3.960 -0.068 -0.106 0.254 196 G C -0.334 174.605 174.900 0.065 0.000 0.988 196 G CA 0.457 45.551 45.100 -0.010 0.000 0.625 196 G HN 0.811 9.022 8.290 0.051 0.109 0.527 197 G N 0.629 109.496 108.800 0.112 0.000 2.588 197 G HA2 0.398 4.511 3.960 0.141 0.000 0.281 197 G HA3 0.398 4.447 3.960 0.148 0.000 0.281 197 G C -2.682 172.315 174.900 0.162 0.000 1.236 197 G CA -2.143 43.042 45.100 0.143 0.000 0.969 197 G HN -0.256 8.024 8.290 0.118 0.081 0.504 198 P HA 0.196 4.696 4.420 0.133 0.000 0.282 198 P C -1.592 175.776 177.300 0.113 0.000 1.249 198 P CA -0.658 62.541 63.100 0.165 0.000 0.806 198 P CB 1.344 33.225 31.700 0.302 0.000 0.984 199 V N 2.632 122.568 119.914 0.036 0.000 2.350 199 V HA 0.326 4.588 4.120 -0.054 -0.174 0.285 199 V C -1.214 174.841 176.094 -0.065 0.000 1.014 199 V CA -1.383 60.875 62.300 -0.069 0.000 0.831 199 V CB 0.949 32.621 31.823 -0.253 0.000 1.000 199 V HN 0.240 8.455 8.190 0.043 0.000 0.433 200 V N 8.411 128.297 119.914 -0.046 0.000 2.448 200 V HA 0.537 4.797 4.120 -0.114 -0.208 0.295 200 V C -1.362 174.701 176.094 -0.052 0.000 1.025 200 V CA -1.210 61.041 62.300 -0.082 0.000 0.859 200 V CB 2.807 34.550 31.823 -0.134 0.000 0.988 200 V HN 0.532 8.721 8.190 -0.002 0.000 0.431 201 c N 7.124 125.687 118.600 -0.062 0.000 2.397 201 c HA 0.623 5.291 4.570 -0.031 -0.117 0.325 201 c C -0.003 174.063 174.090 -0.039 0.000 1.201 201 c CA -1.438 54.864 56.329 -0.045 0.000 1.377 201 c CB 1.938 44.415 42.510 -0.055 0.000 2.038 201 c HN 0.835 9.019 8.230 -0.077 0.000 0.457 202 N N 5.681 124.367 118.700 -0.023 0.000 2.716 202 N HA -0.420 4.315 4.740 -0.008 0.000 0.250 202 N C -0.146 175.348 175.510 -0.026 0.000 1.033 202 N CA 1.018 54.057 53.050 -0.018 0.000 0.727 202 N CB -0.718 37.759 38.487 -0.018 0.000 0.950 202 N HN 0.830 9.201 8.380 -0.013 0.000 0.541 203 G N -7.061 101.718 108.800 -0.035 0.000 2.153 203 G HA2 -0.427 3.495 3.960 -0.064 0.000 0.252 203 G HA3 -0.427 3.514 3.960 -0.033 0.000 0.252 203 G C -1.320 173.521 174.900 -0.098 0.000 0.994 203 G CA 0.268 45.335 45.100 -0.056 0.000 0.698 203 G HN 0.179 8.444 8.290 -0.026 0.009 0.521 210 Q N 0.854 120.635 119.800 -0.033 0.000 2.316 210 Q HA 0.244 4.591 4.340 0.011 0.000 0.235 210 Q C -0.399 175.609 176.000 0.014 0.000 0.863 210 Q CA -0.149 55.648 55.803 -0.011 0.000 0.939 210 Q CB 2.892 31.606 28.738 -0.041 0.000 1.108 210 Q HN 0.565 8.801 8.270 -0.057 0.000 0.522 211 G N -2.303 106.504 108.800 0.011 0.000 2.659 211 G HA2 0.553 4.828 3.960 0.123 0.000 0.296 211 G HA3 0.553 4.500 3.960 -0.022 0.000 0.296 211 G C -3.268 171.717 174.900 0.142 0.000 1.369 211 G CA -0.379 44.763 45.100 0.070 0.000 0.937 211 G HN -0.469 7.815 8.290 -0.009 0.000 0.485 212 I N 1.106 121.814 120.570 0.230 0.000 2.436 212 I HA 0.565 5.052 4.170 0.193 -0.201 0.289 212 I C -0.405 175.891 176.117 0.298 0.000 1.010 212 I CA -1.504 59.924 61.300 0.213 0.000 1.098 212 I CB 4.132 42.202 38.000 0.116 0.000 1.266 212 I HN -0.339 8.106 8.210 0.265 -0.077 0.434 213 V N 8.007 128.094 119.914 0.287 0.000 2.475 213 V HA -0.236 3.820 4.120 -0.105 0.000 0.292 213 V C -1.012 175.111 176.094 0.048 0.000 1.003 213 V CA 2.314 64.685 62.300 0.118 0.000 1.120 213 V CB -1.228 30.693 31.823 0.163 0.000 0.937 213 V HN 0.327 8.670 8.190 0.255 0.000 0.476 214 S N 7.733 123.374 115.700 -0.098 0.000 3.334 214 S HA 0.334 5.026 4.470 0.371 0.000 0.224 214 S C -0.959 173.766 174.600 0.209 0.000 0.959 214 S CA 0.493 58.791 58.200 0.162 0.000 0.815 214 S CB 2.978 66.284 63.200 0.177 0.000 0.861 214 S HN 0.041 8.063 8.310 -0.480 0.000 0.596 215 W N -2.301 118.895 121.300 -0.174 0.000 2.923 215 W HA 0.278 4.869 4.660 -0.115 0.000 0.373 215 W C -2.582 173.832 176.519 -0.176 0.000 1.205 215 W CA -0.781 56.468 57.345 -0.159 0.000 1.180 215 W CB 0.813 30.174 29.460 -0.164 0.000 1.477 215 W HN -0.224 7.666 8.180 -0.484 0.000 0.581 216 G N -2.612 106.255 108.800 0.112 0.000 2.506 216 G HA2 0.117 3.802 3.960 -0.457 0.000 0.292 216 G HA3 0.117 4.068 3.960 -0.015 0.000 0.292 216 G C -2.343 172.811 174.900 0.423 0.000 1.425 216 G CA -0.621 44.497 45.100 0.031 0.000 0.788 216 G HN -0.400 8.125 8.290 0.393 0.000 0.490 220 c N 1.484 120.102 118.600 0.031 0.000 3.517 220 c HA 0.415 5.163 4.570 0.083 -0.128 0.202 220 c C -1.264 172.864 174.090 0.063 0.000 1.370 220 c CA -1.694 54.670 56.329 0.060 0.000 1.308 220 c CB -1.518 41.024 42.510 0.052 0.000 1.840 220 c HN 0.040 8.274 8.230 0.005 0.000 0.525 221 Q N -0.683 119.172 119.800 0.091 0.000 2.967 221 Q HA 0.047 4.430 4.340 0.072 0.000 0.237 221 Q C -1.670 174.377 176.000 0.079 0.000 0.993 221 Q CA -0.154 55.704 55.803 0.092 0.000 0.888 221 Q CB 2.531 31.352 28.738 0.139 0.000 2.137 221 Q HN 0.213 8.546 8.270 0.105 0.000 0.539 222 K N 2.992 123.427 120.400 0.059 0.000 2.484 222 K HA -0.330 4.151 4.320 0.048 -0.133 0.280 222 K C 0.596 177.203 176.600 0.012 0.000 1.013 222 K CA 1.032 57.343 56.287 0.039 0.000 1.029 222 K CB -0.032 32.485 32.500 0.029 0.000 0.902 222 K HN 0.375 8.660 8.250 0.059 0.000 0.481 223 N N 2.929 121.625 118.700 -0.007 0.000 2.708 223 N HA -0.367 4.343 4.740 -0.050 0.000 0.251 223 N C -2.021 173.393 175.510 -0.160 0.000 1.123 223 N CA 1.797 54.806 53.050 -0.068 0.000 0.739 223 N CB -0.202 38.237 38.487 -0.080 0.000 1.113 223 N HN 0.705 8.980 8.380 0.019 0.117 0.561 224 K N -2.251 118.101 120.400 -0.080 0.000 2.954 224 K HA 0.558 4.599 4.320 -0.465 0.000 0.171 224 K C -2.440 174.227 176.600 0.113 0.000 1.079 224 K CA -3.603 52.630 56.287 -0.091 0.000 0.908 224 K CB -0.058 32.497 32.500 0.092 0.000 1.142 224 K HN -0.695 7.518 8.250 0.006 0.041 0.613 225 P HA 0.008 4.516 4.420 0.147 0.000 0.272 225 P C 0.154 177.553 177.300 0.165 0.000 1.240 225 P CA -0.439 62.754 63.100 0.154 0.000 0.791 225 P CB 0.942 32.710 31.700 0.113 0.000 0.978 226 G N -1.685 107.192 108.800 0.129 0.000 2.414 226 G HA2 0.044 3.890 3.960 -0.190 0.000 0.236 226 G HA3 0.044 4.088 3.960 0.025 -0.069 0.236 226 G C -1.211 173.564 174.900 -0.209 0.000 1.293 226 G CA -0.113 44.947 45.100 -0.066 0.000 0.869 226 G HN 0.157 8.598 8.290 0.189 -0.037 0.556 227 V N 3.007 122.481 119.914 -0.733 0.000 2.513 227 V HA 0.648 4.739 4.120 -0.348 -0.179 0.299 227 V C -0.902 174.691 176.094 -0.834 0.000 1.035 227 V CA -2.093 59.730 62.300 -0.794 0.000 0.889 227 V CB 1.567 32.436 31.823 -1.590 0.000 0.988 227 V HN 0.474 8.158 8.190 -0.844 0.000 0.440 228 Y N 4.154 124.340 120.300 -0.190 0.000 2.492 228 Y HA 0.488 5.173 4.550 -0.021 -0.147 0.346 228 Y C -0.074 175.834 175.900 0.014 0.000 0.997 228 Y CA -1.863 56.206 58.100 -0.051 0.000 1.025 228 Y CB 4.182 42.623 38.460 -0.031 0.000 1.263 228 Y HN 1.064 9.358 8.280 0.024 0.000 0.454 229 T N 5.990 120.660 114.554 0.193 0.000 2.902 229 T HA -0.111 4.500 4.350 0.186 -0.150 0.301 229 T C -0.480 174.345 174.700 0.208 0.000 1.012 229 T CA 1.790 63.997 62.100 0.179 0.000 1.151 229 T CB 0.428 69.356 68.868 0.099 0.000 0.946 229 T HN 0.495 8.849 8.240 0.190 0.000 0.542 230 K N 8.526 129.069 120.400 0.238 0.000 2.171 230 K HA 0.046 4.451 4.320 0.142 0.000 0.274 230 K C 0.790 177.552 176.600 0.271 0.000 1.110 230 K CA -0.719 55.682 56.287 0.189 0.000 0.952 230 K CB -0.156 32.411 32.500 0.113 0.000 1.309 230 K HN 0.343 8.640 8.250 0.256 0.106 0.414 231 V N 5.263 125.317 119.914 0.234 0.000 2.594 231 V HA -0.389 4.012 4.120 0.468 0.000 0.253 231 V C 1.362 177.589 176.094 0.222 0.000 1.069 231 V CA 3.371 65.841 62.300 0.284 0.000 1.082 231 V CB -0.631 31.286 31.823 0.158 0.000 0.680 231 V HN 0.209 8.499 8.190 0.168 0.000 0.469 232 c N -5.443 113.218 118.600 0.102 0.000 2.511 232 c HA -0.062 4.539 4.570 0.052 0.000 0.277 232 c C 1.009 175.083 174.090 -0.027 0.000 1.451 232 c CA -0.093 56.259 56.329 0.039 0.000 1.735 232 c CB -2.274 40.243 42.510 0.012 0.000 1.704 232 c HN 0.510 8.763 8.230 0.087 0.029 0.571 233 N N 0.871 119.495 118.700 -0.128 0.000 2.422 233 N HA -0.022 4.568 4.740 -0.251 0.000 0.181 233 N C 0.063 175.273 175.510 -0.500 0.000 1.080 233 N CA 0.983 53.791 53.050 -0.404 0.000 0.893 233 N CB 0.144 38.204 38.487 -0.712 0.000 0.973 233 N HN -0.217 7.964 8.380 -0.039 0.175 0.456 234 Y N -4.536 115.821 120.300 0.096 0.000 2.612 234 Y HA 0.114 4.803 4.550 0.232 0.000 0.250 234 Y C 0.296 176.310 175.900 0.190 0.000 1.175 234 Y CA -0.869 57.345 58.100 0.191 0.000 1.205 234 Y CB 0.075 38.673 38.460 0.231 0.000 1.201 234 Y HN -0.315 7.868 8.280 0.120 0.169 0.532 235 V N 1.344 121.369 119.914 0.186 0.000 2.343 235 V HA -0.521 3.671 4.120 0.120 0.000 0.247 235 V C 1.627 177.779 176.094 0.096 0.000 1.051 235 V CA 4.948 67.318 62.300 0.116 0.000 1.036 235 V CB -0.385 31.471 31.823 0.056 0.000 0.654 235 V HN -0.040 8.217 8.190 0.111 0.000 0.451 236 N N -0.429 118.337 118.700 0.110 0.000 2.058 236 N HA -0.325 4.438 4.740 0.038 0.000 0.191 236 N C 1.627 177.212 175.510 0.125 0.000 1.037 236 N CA 3.091 56.197 53.050 0.092 0.000 0.848 236 N CB -0.677 37.867 38.487 0.095 0.000 1.021 236 N HN 0.029 8.472 8.380 0.106 0.000 0.422 237 W N 1.173 122.525 121.300 0.087 0.000 2.338 237 W HA -0.157 4.716 4.660 0.052 -0.182 0.304 237 W C 2.215 178.748 176.519 0.024 0.000 1.212 237 W CA 3.262 60.667 57.345 0.101 0.000 1.264 237 W CB -0.031 29.596 29.460 0.278 0.000 1.142 237 W HN -0.251 8.189 8.180 0.434 0.000 0.512 238 I N -1.065 119.470 120.570 -0.059 0.000 2.179 238 I HA -0.702 3.047 4.170 -0.701 0.000 0.242 238 I C 1.921 177.782 176.117 -0.425 0.000 1.088 238 I CA 4.092 65.188 61.300 -0.340 0.000 1.357 238 I CB -0.368 37.589 38.000 -0.072 0.000 1.051 238 I HN 0.321 8.691 8.210 0.268 0.000 0.409 239 Q N -0.919 118.736 119.800 -0.243 0.000 2.119 239 Q HA -0.358 3.817 4.340 -0.277 0.000 0.201 239 Q C 2.184 178.024 176.000 -0.267 0.000 0.972 239 Q CA 2.945 58.608 55.803 -0.233 0.000 0.847 239 Q CB -0.536 28.129 28.738 -0.122 0.000 0.903 239 Q HN -0.188 8.008 8.270 -0.124 0.000 0.433 240 Q N 0.140 119.791 119.800 -0.250 0.000 2.030 240 Q HA -0.310 3.936 4.340 -0.157 0.000 0.204 240 Q C 2.470 178.265 176.000 -0.341 0.000 0.986 240 Q CA 3.157 58.821 55.803 -0.231 0.000 0.843 240 Q CB -0.418 28.222 28.738 -0.162 0.000 0.904 240 Q HN 0.155 8.294 8.270 -0.219 0.000 0.420 241 T N 2.487 116.692 114.554 -0.583 0.000 2.746 241 T HA -0.384 3.694 4.350 -0.453 0.000 0.267 241 T C 2.033 176.329 174.700 -0.672 0.000 1.039 241 T CA 4.586 66.284 62.100 -0.669 0.000 1.142 241 T CB -0.080 68.140 68.868 -1.080 0.000 0.866 241 T HN -0.203 7.611 8.240 -0.710 0.000 0.444 242 I N 0.040 120.113 120.570 -0.828 0.000 2.226 242 I HA -0.436 3.007 4.170 -1.211 0.000 0.245 242 I C 1.991 177.943 176.117 -0.276 0.000 1.100 242 I CA 3.574 64.388 61.300 -0.811 0.000 1.374 242 I CB -0.158 37.356 38.000 -0.810 0.000 1.057 242 I HN -0.213 7.530 8.210 -0.779 0.000 0.413 243 A N -0.013 122.674 122.820 -0.221 0.000 1.972 243 A HA -0.228 4.054 4.320 -0.064 0.000 0.219 243 A C 1.169 178.721 177.584 -0.053 0.000 1.169 243 A CA 2.750 54.726 52.037 -0.102 0.000 0.635 243 A CB -0.508 18.434 19.000 -0.097 0.000 0.810 243 A HN 0.021 8.001 8.150 -0.282 0.000 0.446 244 A N -4.890 117.885 122.820 -0.075 0.000 2.208 244 A HA 0.020 4.333 4.320 -0.013 0.000 0.209 244 A C -0.508 177.098 177.584 0.037 0.000 1.161 244 A CA 0.679 52.700 52.037 -0.026 0.000 0.782 244 A CB 0.548 19.516 19.000 -0.052 0.000 0.816 244 A HN -0.264 7.783 8.150 -0.147 0.016 0.477 245 N N 0.000 118.762 118.700 0.104 0.000 1.763 245 N HA 0.000 4.827 4.740 0.145 0.000 0.220 245 N CA 0.000 53.183 53.050 0.222 0.000 0.885 245 N CB 0.000 38.712 38.487 0.376 0.000 1.341 245 N HN 0.000 8.370 8.380 0.078 0.057 0.667