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 1s81_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 4.179 4.170 0.014 0.000 0.288 16 I C 0.000 176.096 176.117 -0.035 0.000 1.063 16 I CA 0.000 61.285 61.300 -0.024 0.000 1.566 16 I CB 0.000 37.954 38.000 -0.076 0.000 1.214 17 V N 6.434 126.343 119.914 -0.009 0.000 2.509 17 V HA 0.107 4.362 4.120 -0.033 -0.154 0.284 17 V C 0.613 176.704 176.094 -0.005 0.000 1.047 17 V CA -0.732 61.560 62.300 -0.014 0.000 0.952 17 V CB 1.270 33.091 31.823 -0.005 0.000 0.988 17 V HN 0.749 8.949 8.190 0.018 0.000 0.469 18 G N 6.287 115.077 108.800 -0.016 0.000 2.160 18 G HA2 -0.383 3.566 3.960 -0.019 0.000 0.251 18 G HA3 -0.383 3.778 3.960 -0.033 -0.220 0.251 18 G C -0.869 174.034 174.900 0.005 0.000 1.008 18 G CA 0.260 45.349 45.100 -0.018 0.000 0.724 18 G HN 0.875 9.152 8.290 -0.022 0.000 0.514 19 G N -1.008 107.795 108.800 0.006 0.000 2.736 19 G HA2 0.509 4.516 3.960 0.101 0.000 0.229 19 G HA3 0.509 4.507 3.960 -0.098 -0.097 0.229 19 G C -1.990 172.967 174.900 0.096 0.000 1.380 19 G CA -1.514 43.596 45.100 0.016 0.000 1.040 19 G HN -0.456 7.794 8.290 -0.018 0.030 0.568 20 Y N -5.894 114.388 120.300 -0.029 0.000 2.588 20 Y HA 0.397 4.933 4.550 -0.024 0.000 0.343 20 Y C -1.808 174.076 175.900 -0.026 0.000 1.065 20 Y CA -2.150 55.935 58.100 -0.025 0.000 1.038 20 Y CB 1.631 40.079 38.460 -0.020 0.000 1.297 20 Y HN 0.389 8.350 8.280 -0.530 0.000 0.467 21 T N 4.282 118.883 114.554 0.077 0.000 2.784 21 T HA -0.074 4.369 4.350 -0.068 -0.133 0.291 21 T C 0.095 174.857 174.700 0.104 0.000 0.942 21 T CA 1.342 63.467 62.100 0.041 0.000 1.161 21 T CB -0.305 68.620 68.868 0.095 0.000 0.885 21 T HN 0.015 8.357 8.240 0.170 0.000 0.534 22 c N 7.843 126.412 118.600 -0.052 0.000 2.665 22 c HA -0.261 4.343 4.570 0.057 0.000 0.416 22 c C 0.102 174.201 174.090 0.015 0.000 1.305 22 c CA 0.260 56.578 56.329 -0.019 0.000 1.903 22 c CB -0.393 42.035 42.510 -0.137 0.000 2.704 22 c HN 0.134 8.281 8.230 -0.139 0.000 0.629 23 A N 3.307 126.117 122.820 -0.015 0.000 2.540 23 A HA -0.126 4.145 4.320 -0.082 0.000 0.239 23 A C -0.119 177.247 177.584 -0.364 0.000 1.061 23 A CA 0.313 52.279 52.037 -0.118 0.000 0.758 23 A CB 0.682 19.649 19.000 -0.055 0.000 0.991 23 A HN 0.384 8.563 8.150 0.048 0.000 0.502 24 A N 3.905 126.395 122.820 -0.551 0.000 2.561 24 A HA -0.298 2.935 4.320 -1.811 0.000 0.251 24 A C -0.535 176.839 177.584 -0.349 0.000 1.062 24 A CA 1.029 52.589 52.037 -0.795 0.000 0.761 24 A CB -0.311 18.468 19.000 -0.368 0.000 0.986 24 A HN 0.442 8.388 8.150 -0.341 0.000 0.510 25 N N -0.576 117.962 118.700 -0.271 0.000 2.753 25 N HA -0.438 4.258 4.740 -0.074 0.000 0.251 25 N C 0.628 176.067 175.510 -0.118 0.000 1.097 25 N CA 1.744 54.724 53.050 -0.116 0.000 0.786 25 N CB -0.998 37.458 38.487 -0.052 0.000 1.137 25 N HN 0.574 8.756 8.380 -0.330 0.000 0.566 26 S N -1.231 114.379 115.700 -0.151 0.000 2.603 26 S HA -0.049 4.380 4.470 -0.069 0.000 0.220 26 S C -0.359 174.164 174.600 -0.127 0.000 0.967 26 S CA 2.432 60.570 58.200 -0.104 0.000 0.920 26 S CB 0.331 63.484 63.200 -0.077 0.000 0.773 26 S HN -0.164 7.981 8.310 -0.211 0.039 0.529 27 I N 2.254 122.685 120.570 -0.231 0.000 2.905 27 I HA 0.399 4.270 4.170 -0.499 0.000 0.297 27 I C -1.673 174.109 176.117 -0.559 0.000 1.358 27 I CA -3.926 57.083 61.300 -0.485 0.000 0.975 27 I CB -0.924 36.780 38.000 -0.495 0.000 1.857 27 I HN -0.287 7.725 8.210 -0.209 0.073 0.612 28 P HA 0.144 4.609 4.420 -0.088 -0.098 0.233 28 P C 0.479 177.740 177.300 -0.065 0.000 1.167 28 P CA 1.490 64.518 63.100 -0.119 0.000 0.770 28 P CB -0.212 31.486 31.700 -0.002 0.000 0.837 29 Y N -5.342 114.987 120.300 0.048 0.000 2.523 29 Y HA 0.382 5.108 4.550 0.065 -0.137 0.279 29 Y C -0.248 175.697 175.900 0.074 0.000 1.139 29 Y CA -2.670 55.465 58.100 0.058 0.000 1.296 29 Y CB -1.260 37.228 38.460 0.046 0.000 1.045 29 Y HN -0.375 7.370 8.280 -0.803 0.054 0.538 30 Q N 2.856 122.502 119.800 -0.256 0.000 2.289 30 Q HA 0.115 4.644 4.340 0.077 -0.143 0.273 30 Q C -0.418 175.673 176.000 0.151 0.000 1.029 30 Q CA 0.169 55.946 55.803 -0.043 0.000 0.896 30 Q CB 0.189 28.798 28.738 -0.215 0.000 1.182 30 Q HN -0.583 7.151 8.270 -0.622 0.162 0.385 31 V N -0.292 119.752 119.914 0.215 0.000 2.994 31 V HA 0.795 5.166 4.120 0.235 -0.110 0.318 31 V C -1.378 174.893 176.094 0.296 0.000 1.085 31 V CA -3.670 58.761 62.300 0.218 0.000 0.998 31 V CB 3.161 35.051 31.823 0.112 0.000 1.063 31 V HN 0.413 8.626 8.190 0.201 0.098 0.447 32 S N 1.139 116.902 115.700 0.104 0.000 2.437 32 S HA 0.365 5.040 4.470 0.158 -0.110 0.305 32 S C -0.621 173.853 174.600 -0.210 0.000 1.109 32 S CA -1.816 56.352 58.200 -0.052 0.000 1.099 32 S CB 1.333 64.296 63.200 -0.395 0.000 1.004 32 S HN 0.174 8.500 8.310 0.027 0.000 0.475 33 L N 6.971 127.949 121.223 -0.409 0.000 2.265 33 L HA 0.433 4.708 4.340 -0.324 -0.130 0.288 33 L C -1.369 175.097 176.870 -0.674 0.000 1.058 33 L CA -0.654 53.833 54.840 -0.588 0.000 0.809 33 L CB 0.218 41.762 42.059 -0.858 0.000 1.179 33 L HN 0.918 8.864 8.230 -0.474 0.000 0.429 38 G N 6.936 115.699 108.800 -0.061 0.000 2.507 38 G HA2 -0.412 3.512 3.960 -0.059 0.000 0.240 38 G HA3 -0.412 3.511 3.960 -0.061 0.000 0.240 38 G C -1.269 173.598 174.900 -0.056 0.000 1.119 38 G CA 0.741 45.806 45.100 -0.060 0.000 0.664 38 G HN 0.101 8.443 8.290 -0.067 -0.092 0.516 39 S N -1.006 114.671 115.700 -0.038 0.000 2.638 39 S HA 0.156 4.589 4.470 -0.062 0.000 0.274 39 S C -1.687 172.916 174.600 0.006 0.000 1.157 39 S CA -2.088 56.092 58.200 -0.033 0.000 0.826 39 S CB 2.480 65.660 63.200 -0.034 0.000 1.139 39 S HN -0.616 7.454 8.310 -0.017 0.230 0.474 40 H N 2.731 121.726 119.070 -0.125 0.000 3.034 40 H HA -0.292 4.287 4.556 -0.234 -0.164 0.324 40 H C -0.123 175.196 175.328 -0.016 0.000 1.015 40 H CA 1.592 57.543 56.048 -0.161 0.000 1.429 40 H CB 0.003 29.615 29.762 -0.250 0.000 1.429 40 H HN 0.546 8.837 8.280 0.018 0.000 0.585 41 F N 1.120 120.630 119.950 -0.734 0.000 2.856 41 F HA 0.362 4.702 4.527 -0.311 0.000 0.338 41 F C -2.066 173.458 175.800 -0.460 0.000 1.005 41 F CA -0.331 57.387 58.000 -0.470 0.000 1.155 41 F CB 1.894 40.736 39.000 -0.262 0.000 1.010 41 F HN -0.024 7.561 8.300 -1.192 0.000 0.587 42 c N -1.404 116.423 118.600 -1.288 0.000 3.318 42 c HA 0.373 4.853 4.570 -0.230 -0.048 0.322 42 c C -1.570 172.285 174.090 -0.392 0.000 1.398 42 c CA -0.257 55.698 56.329 -0.623 0.000 1.339 42 c CB 4.192 46.376 42.510 -0.543 0.000 1.668 42 c HN -0.705 6.429 8.230 -1.826 0.000 0.462 43 G N -0.826 107.956 108.800 -0.028 0.000 2.511 43 G HA2 0.723 4.990 3.960 0.229 0.000 0.316 43 G HA3 0.723 4.798 3.960 0.191 0.000 0.316 43 G C -2.196 172.720 174.900 0.026 0.000 1.210 43 G CA -1.356 43.816 45.100 0.120 0.000 0.969 43 G HN 0.751 9.039 8.290 -0.004 0.000 0.492 44 G N -3.601 105.255 108.800 0.093 0.000 2.600 44 G HA2 0.511 4.792 3.960 0.084 0.000 0.293 44 G HA3 0.511 4.510 3.960 0.064 0.000 0.293 44 G C -2.624 172.369 174.900 0.154 0.000 1.408 44 G CA 0.037 45.193 45.100 0.093 0.000 0.782 44 G HN -0.535 7.850 8.290 0.157 0.000 0.482 45 S N -0.388 115.410 115.700 0.163 0.000 2.594 45 S HA 0.690 5.552 4.470 0.292 -0.217 0.296 45 S C -1.245 173.467 174.600 0.187 0.000 1.124 45 S CA -0.995 57.336 58.200 0.219 0.000 1.011 45 S CB 3.460 66.778 63.200 0.198 0.000 1.016 45 S HN 0.559 8.950 8.310 0.136 0.000 0.485 46 L N 7.079 128.428 121.223 0.210 0.000 2.433 46 L HA -0.021 4.542 4.340 0.163 -0.125 0.275 46 L C -0.912 176.052 176.870 0.156 0.000 1.128 46 L CA 0.649 55.596 54.840 0.177 0.000 0.875 46 L CB 0.406 42.565 42.059 0.167 0.000 1.171 46 L HN 0.541 8.820 8.230 0.261 0.107 0.463 47 I N 0.248 120.904 120.570 0.144 0.000 4.288 47 I HA 0.562 4.933 4.170 0.073 -0.157 0.331 47 I C -1.186 174.996 176.117 0.108 0.000 1.322 47 I CA -0.925 60.437 61.300 0.103 0.000 1.149 47 I CB 1.774 39.824 38.000 0.083 0.000 1.112 47 I HN 0.273 8.587 8.210 0.174 0.000 0.403 48 N N -0.009 118.785 118.700 0.157 0.000 2.710 48 N HA 0.122 4.932 4.740 0.117 0.000 0.257 48 N C -0.255 175.349 175.510 0.157 0.000 1.327 48 N CA -0.263 52.885 53.050 0.163 0.000 0.861 48 N CB 2.977 41.602 38.487 0.230 0.000 1.532 48 N HN -0.789 7.701 8.380 0.183 0.000 0.499 49 S N 1.035 116.807 115.700 0.120 0.000 2.402 49 S HA -0.409 4.105 4.470 0.074 0.000 0.233 49 S C 0.695 175.327 174.600 0.053 0.000 1.030 49 S CA 2.775 61.024 58.200 0.081 0.000 1.003 49 S CB 0.086 63.322 63.200 0.060 0.000 0.813 49 S HN 0.559 8.936 8.310 0.112 0.000 0.477 50 Q N -2.543 117.297 119.800 0.067 0.000 2.217 50 Q HA 0.264 4.517 4.340 -0.145 0.000 0.217 50 Q C -1.308 174.496 176.000 -0.327 0.000 0.844 50 Q CA -0.338 55.386 55.803 -0.131 0.000 0.957 50 Q CB 2.034 30.676 28.738 -0.160 0.000 1.127 50 Q HN -0.050 8.673 8.270 0.174 -0.349 0.503 51 W N -1.624 119.684 121.300 0.014 0.000 2.957 51 W HA 0.639 5.527 4.660 0.010 -0.222 0.336 51 W C -1.525 175.011 176.519 0.029 0.000 1.087 51 W CA -0.992 56.360 57.345 0.012 0.000 1.235 51 W CB 3.672 33.128 29.460 -0.007 0.000 1.399 51 W HN -0.333 7.882 8.180 0.266 0.124 0.480 52 V N 2.239 122.321 119.914 0.280 0.000 2.513 52 V HA 0.669 5.089 4.120 0.186 -0.188 0.299 52 V C -1.837 174.388 176.094 0.219 0.000 1.035 52 V CA -1.728 60.691 62.300 0.198 0.000 0.889 52 V CB 3.312 35.206 31.823 0.119 0.000 0.988 52 V HN 0.975 9.330 8.190 0.275 0.000 0.440 53 V N 6.789 126.808 119.914 0.174 0.000 2.532 53 V HA 0.833 5.240 4.120 0.185 -0.176 0.295 53 V C -2.021 174.141 176.094 0.114 0.000 1.041 53 V CA -2.495 59.898 62.300 0.156 0.000 0.926 53 V CB 2.103 34.012 31.823 0.144 0.000 0.992 53 V HN 0.635 8.921 8.190 0.160 0.000 0.457 54 S N 6.183 121.937 115.700 0.090 0.000 2.880 54 S HA 0.476 5.174 4.470 0.042 -0.203 0.308 54 S C -2.228 172.365 174.600 -0.013 0.000 1.195 54 S CA -2.354 55.867 58.200 0.035 0.000 0.866 54 S CB 2.111 65.318 63.200 0.012 0.000 1.254 54 S HN 0.784 9.161 8.310 0.112 0.000 0.571 55 A N -0.666 122.101 122.820 -0.088 0.000 2.301 55 A HA 0.408 4.826 4.320 -0.132 -0.176 0.312 55 A C 0.494 177.915 177.584 -0.272 0.000 1.182 55 A CA -1.217 50.716 52.037 -0.173 0.000 0.826 55 A CB 1.394 20.253 19.000 -0.236 0.000 1.134 55 A HN 0.264 8.351 8.150 -0.106 0.000 0.501 56 A N 6.083 128.652 122.820 -0.418 0.000 2.024 56 A HA -0.278 3.863 4.320 -0.298 0.000 0.220 56 A C 1.232 178.506 177.584 -0.517 0.000 1.164 56 A CA 2.761 54.428 52.037 -0.617 0.000 0.643 56 A CB -0.400 17.797 19.000 -1.337 0.000 0.806 56 A HN 0.606 8.541 8.150 -0.439 -0.048 0.451 57 H N -4.589 114.267 119.070 -0.357 0.000 2.521 57 H HA -0.091 4.530 4.556 0.108 0.000 0.286 57 H C 0.493 175.874 175.328 0.088 0.000 1.034 57 H CA 2.238 58.296 56.048 0.015 0.000 1.278 57 H CB -0.749 29.113 29.762 0.167 0.000 1.386 57 H HN -0.081 8.316 8.280 -0.307 -0.301 0.567 58 c N -0.949 117.422 118.600 -0.383 0.000 2.539 58 c HA -0.096 4.490 4.570 0.026 0.000 0.271 58 c C 0.039 174.183 174.090 0.090 0.000 1.412 58 c CA 0.093 56.378 56.329 -0.074 0.000 1.729 58 c CB -2.209 40.246 42.510 -0.090 0.000 1.739 58 c HN -0.635 7.127 8.230 -0.507 0.164 0.570 59 Y N 2.749 123.027 120.300 -0.038 0.000 2.717 59 Y HA -0.220 4.337 4.550 0.011 0.000 0.330 59 Y C -0.842 175.023 175.900 -0.057 0.000 1.217 59 Y CA 1.534 59.624 58.100 -0.017 0.000 1.506 59 Y CB 0.473 38.921 38.460 -0.021 0.000 1.268 59 Y HN -0.383 7.807 8.280 0.135 0.171 0.561 60 K N 7.775 127.584 120.400 -0.985 0.000 2.482 60 K HA 0.213 4.069 4.320 -0.774 0.000 0.257 60 K C -1.231 174.710 176.600 -1.099 0.000 0.969 60 K CA -1.045 54.680 56.287 -0.936 0.000 0.842 60 K CB 2.061 34.151 32.500 -0.685 0.000 1.359 60 K HN 0.069 7.772 8.250 -0.911 0.000 0.441 61 S N -0.719 114.606 115.700 -0.625 0.000 2.470 61 S HA -0.187 4.118 4.470 -0.275 0.000 0.225 61 S C -0.491 174.001 174.600 -0.181 0.000 1.006 61 S CA 1.600 59.628 58.200 -0.287 0.000 0.934 61 S CB 0.684 63.860 63.200 -0.041 0.000 0.778 61 S HN 0.270 8.316 8.310 -0.440 0.000 0.517 62 R N -0.098 120.280 120.500 -0.203 0.000 2.480 62 R HA 0.181 4.464 4.340 -0.095 0.000 0.306 62 R C -2.025 174.195 176.300 -0.133 0.000 0.958 62 R CA -0.680 55.341 56.100 -0.132 0.000 0.861 62 R CB 2.036 32.269 30.300 -0.111 0.000 1.171 62 R HN -0.350 7.730 8.270 -0.269 0.029 0.445 63 I N 2.480 123.008 120.570 -0.070 0.000 2.656 63 I HA 0.219 4.532 4.170 0.048 -0.115 0.292 63 I C -2.267 173.834 176.117 -0.025 0.000 1.144 63 I CA -1.034 60.266 61.300 0.001 0.000 1.038 63 I CB 4.251 42.281 38.000 0.050 0.000 1.244 63 I HN 0.413 8.585 8.210 -0.064 0.000 0.420 64 Q N 5.828 125.604 119.800 -0.039 0.000 2.307 64 Q HA 0.332 4.634 4.340 -0.064 0.000 0.262 64 Q C -1.550 174.375 176.000 -0.124 0.000 0.961 64 Q CA -1.470 54.281 55.803 -0.087 0.000 0.882 64 Q CB 2.877 31.536 28.738 -0.132 0.000 1.264 64 Q HN 0.582 8.846 8.270 -0.011 0.000 0.446 65 V N 7.683 127.541 119.914 -0.094 0.000 2.498 65 V HA 0.133 4.303 4.120 -0.116 -0.120 0.279 65 V C -0.916 175.122 176.094 -0.094 0.000 1.048 65 V CA -0.211 62.037 62.300 -0.087 0.000 0.967 65 V CB 0.188 31.991 31.823 -0.034 0.000 0.988 65 V HN 0.768 8.818 8.190 -0.063 0.102 0.473 66 R N 6.336 126.758 120.500 -0.130 0.000 2.337 66 R HA 0.556 5.116 4.340 0.093 -0.164 0.319 66 R C -0.918 175.419 176.300 0.061 0.000 0.954 66 R CA -1.226 54.831 56.100 -0.071 0.000 0.840 66 R CB 1.360 31.438 30.300 -0.369 0.000 1.164 66 R HN 0.859 9.043 8.270 -0.143 0.000 0.472 70 E N -0.381 119.961 120.200 0.237 0.000 2.313 70 E HA 0.098 4.579 4.350 0.218 0.000 0.272 70 E C -1.613 175.261 176.600 0.456 0.000 1.038 70 E CA -0.292 56.281 56.400 0.288 0.000 0.863 70 E CB 1.227 31.026 29.700 0.164 0.000 1.060 70 E HN -0.412 8.089 8.360 0.262 0.016 0.402 71 H N 3.436 122.662 119.070 0.262 0.000 2.179 71 H HA 0.105 4.872 4.556 0.352 0.000 0.246 71 H C -0.840 174.700 175.328 0.354 0.000 0.904 71 H CA 1.246 57.466 56.048 0.287 0.000 1.113 71 H CB 3.218 33.061 29.762 0.136 0.000 1.396 71 H HN -0.187 8.465 8.280 0.319 -0.180 0.484 72 N N 0.683 119.443 118.700 0.099 0.000 2.437 72 N HA 0.158 5.099 4.740 -0.031 -0.220 0.243 72 N C 1.833 177.328 175.510 -0.025 0.000 1.041 72 N CA -1.407 51.644 53.050 0.001 0.000 0.940 72 N CB 0.017 38.503 38.487 -0.003 0.000 1.133 72 N HN -0.616 8.560 8.380 0.183 -0.686 0.506 73 I N 0.834 121.300 120.570 -0.173 0.000 3.001 73 I HA -0.185 4.119 4.170 -0.268 -0.295 0.268 73 I C -0.307 175.717 176.117 -0.154 0.000 1.267 73 I CA 1.910 63.015 61.300 -0.326 0.000 1.472 73 I CB -0.412 37.138 38.000 -0.750 0.000 1.089 73 I HN 0.122 8.236 8.210 -0.160 0.000 0.468 74 D N -2.385 117.964 120.400 -0.085 0.000 2.360 74 D HA 0.115 4.730 4.640 -0.042 0.000 0.210 74 D C -0.635 175.662 176.300 -0.005 0.000 1.047 74 D CA 0.569 54.546 54.000 -0.039 0.000 0.854 74 D CB 1.694 42.476 40.800 -0.029 0.000 0.936 74 D HN -0.355 8.168 8.370 -0.079 -0.200 0.514 75 V N -0.903 119.015 119.914 0.008 0.000 2.888 75 V HA 0.051 4.183 4.120 0.020 0.000 0.309 75 V C -1.705 174.409 176.094 0.034 0.000 1.114 75 V CA -1.255 61.058 62.300 0.021 0.000 0.940 75 V CB 3.551 35.384 31.823 0.017 0.000 1.021 75 V HN -0.737 7.528 8.190 0.000 -0.074 0.426 76 L N 6.368 127.605 121.223 0.022 0.000 2.315 76 L HA -0.105 4.441 4.340 0.006 -0.203 0.283 76 L C 0.222 177.089 176.870 -0.006 0.000 1.089 76 L CA 0.218 55.055 54.840 -0.005 0.000 0.833 76 L CB -0.296 41.734 42.059 -0.049 0.000 1.170 76 L HN 0.369 8.609 8.230 0.017 0.000 0.442 77 E N 6.497 126.700 120.200 0.006 0.000 2.447 77 E HA 0.116 4.477 4.350 0.018 0.000 0.204 77 E C 0.294 176.896 176.600 0.004 0.000 0.977 77 E CA 0.054 56.467 56.400 0.020 0.000 0.950 77 E CB 0.817 30.552 29.700 0.058 0.000 0.975 77 E HN 0.267 9.127 8.360 0.012 -0.493 0.496 78 G N -1.724 107.063 108.800 -0.020 0.000 2.211 78 G HA2 -0.324 3.600 3.960 -0.060 0.000 0.201 78 G HA3 -0.324 3.623 3.960 -0.023 0.000 0.201 78 G C -0.078 174.804 174.900 -0.031 0.000 0.997 78 G CA 0.442 45.521 45.100 -0.035 0.000 0.652 78 G HN 0.112 8.665 8.290 -0.035 -0.284 0.500 79 N N -0.311 118.384 118.700 -0.009 0.000 2.236 79 N HA 0.082 4.819 4.740 -0.005 0.000 0.196 79 N C -0.854 174.660 175.510 0.006 0.000 1.114 79 N CA -0.384 52.669 53.050 0.005 0.000 0.859 79 N CB 0.657 39.161 38.487 0.028 0.000 0.982 79 N HN 0.364 8.748 8.380 0.007 0.000 0.493 80 E N -0.018 120.165 120.200 -0.028 0.000 2.373 80 E HA 0.101 4.704 4.350 0.088 -0.200 0.263 80 E C -0.191 176.372 176.600 -0.062 0.000 1.073 80 E CA 0.634 57.027 56.400 -0.012 0.000 0.894 80 E CB 0.394 30.033 29.700 -0.102 0.000 1.008 80 E HN -0.436 7.832 8.360 -0.060 0.057 0.420 81 Q N 1.096 120.933 119.800 0.062 0.000 2.292 81 Q HA 0.270 4.590 4.340 -0.033 0.000 0.270 81 Q C -1.204 174.973 176.000 0.295 0.000 1.024 81 Q CA -1.343 54.501 55.803 0.068 0.000 0.768 81 Q CB 2.467 31.243 28.738 0.063 0.000 1.250 81 Q HN 0.311 8.684 8.270 0.172 0.000 0.447 82 F N 3.936 123.874 119.950 -0.020 0.000 2.404 82 F HA 0.877 5.567 4.527 -0.031 -0.181 0.354 82 F C 0.240 176.023 175.800 -0.028 0.000 1.122 82 F CA -3.125 54.858 58.000 -0.028 0.000 1.080 82 F CB 1.174 40.155 39.000 -0.031 0.000 1.131 82 F HN 0.298 8.663 8.300 0.107 0.000 0.471 83 I N 4.237 124.884 120.570 0.129 0.000 2.548 83 I HA 0.123 4.323 4.170 0.051 0.000 0.287 83 I C -1.546 174.572 176.117 0.001 0.000 1.103 83 I CA -1.013 60.315 61.300 0.048 0.000 1.049 83 I CB 3.273 41.288 38.000 0.025 0.000 1.232 83 I HN 0.902 9.169 8.210 0.095 0.000 0.429 84 N N 6.537 125.231 118.700 -0.010 0.000 2.453 84 N HA 0.008 4.835 4.740 -0.037 -0.109 0.253 84 N C -0.585 174.893 175.510 -0.053 0.000 1.252 84 N CA -0.115 52.916 53.050 -0.032 0.000 0.917 84 N CB 0.837 39.308 38.487 -0.028 0.000 1.117 84 N HN 0.529 8.910 8.380 0.002 0.000 0.442 85 A N 0.567 123.353 122.820 -0.057 0.000 2.409 85 A HA 0.236 4.637 4.320 -0.100 -0.140 0.262 85 A C -0.838 176.701 177.584 -0.075 0.000 1.113 85 A CA -0.041 51.952 52.037 -0.073 0.000 0.790 85 A CB 0.561 19.531 19.000 -0.049 0.000 1.046 85 A HN 0.231 8.352 8.150 -0.048 0.000 0.496 86 A N 4.332 127.086 122.820 -0.111 0.000 1.956 86 A HA 0.102 4.381 4.320 -0.067 0.000 0.212 86 A C -0.082 177.457 177.584 -0.076 0.000 1.188 86 A CA 1.126 53.105 52.037 -0.097 0.000 0.675 86 A CB 1.517 20.439 19.000 -0.131 0.000 0.845 86 A HN 0.853 8.801 8.150 -0.160 0.106 0.455 87 K N -2.646 117.693 120.400 -0.102 0.000 2.422 87 K HA 0.358 4.689 4.320 0.019 0.000 0.251 87 K C -2.276 174.341 176.600 0.028 0.000 0.933 87 K CA -1.128 55.144 56.287 -0.025 0.000 0.798 87 K CB 4.013 36.497 32.500 -0.027 0.000 1.238 87 K HN -0.720 7.424 8.250 -0.176 0.000 0.428 88 I N 2.567 123.210 120.570 0.122 0.000 2.468 88 I HA 0.497 4.948 4.170 0.190 -0.168 0.284 88 I C -0.814 175.455 176.117 0.254 0.000 1.038 88 I CA -0.619 60.801 61.300 0.200 0.000 1.083 88 I CB 1.855 39.977 38.000 0.204 0.000 1.223 88 I HN 0.255 8.542 8.210 0.128 0.000 0.443 89 I N 9.649 130.380 120.570 0.269 0.000 2.466 89 I HA 0.321 4.612 4.170 0.202 0.000 0.279 89 I C -0.746 175.555 176.117 0.306 0.000 1.033 89 I CA -1.262 60.193 61.300 0.259 0.000 1.123 89 I CB 1.737 39.889 38.000 0.254 0.000 1.237 89 I HN 1.044 9.429 8.210 0.292 0.000 0.460 90 T N 6.380 121.053 114.554 0.198 0.000 2.918 90 T HA -0.109 4.318 4.350 0.127 0.000 0.302 90 T C -0.085 174.722 174.700 0.177 0.000 1.045 90 T CA -0.503 61.673 62.100 0.127 0.000 1.114 90 T CB 0.885 69.737 68.868 -0.027 0.000 0.965 90 T HN 0.375 8.688 8.240 0.122 0.000 0.540 91 H N 5.348 124.370 119.070 -0.080 0.000 3.094 91 H HA -0.110 4.183 4.556 -0.437 0.000 0.320 91 H C 0.618 175.905 175.328 -0.068 0.000 1.000 91 H CA 1.051 56.898 56.048 -0.333 0.000 1.413 91 H CB 1.323 30.708 29.762 -0.627 0.000 1.405 91 H HN 0.060 8.338 8.280 -0.004 0.000 0.586 92 P HA -0.008 4.424 4.420 0.020 0.000 0.226 92 P C -0.391 176.953 177.300 0.074 0.000 1.153 92 P CA 1.447 64.516 63.100 -0.052 0.000 0.777 92 P CB 0.247 31.904 31.700 -0.073 0.000 0.794 93 N N -2.212 116.649 118.700 0.268 0.000 2.235 93 N HA -0.001 4.814 4.740 0.124 0.000 0.209 93 N C -1.195 174.448 175.510 0.221 0.000 1.122 93 N CA -0.477 52.724 53.050 0.252 0.000 0.845 93 N CB 0.481 39.117 38.487 0.248 0.000 1.004 93 N HN -0.553 8.090 8.380 0.489 0.030 0.499 94 F N 3.300 123.300 119.950 0.083 0.000 2.612 94 F HA -0.263 4.442 4.527 -0.055 -0.211 0.389 94 F C -0.461 175.327 175.800 -0.020 0.000 1.055 94 F CA 1.271 59.266 58.000 -0.008 0.000 1.232 94 F CB 0.157 39.153 39.000 -0.005 0.000 1.044 94 F HN -0.572 7.799 8.300 0.399 0.169 0.560 95 N N 8.182 126.484 118.700 -0.664 0.000 2.443 95 N HA 0.149 4.563 4.740 -0.544 0.000 0.269 95 N C -0.151 174.713 175.510 -1.076 0.000 0.985 95 N CA -0.790 51.853 53.050 -0.678 0.000 0.921 95 N CB 2.127 40.415 38.487 -0.330 0.000 1.195 95 N HN -0.006 8.111 8.380 -0.440 0.000 0.492 96 G N 4.877 113.083 108.800 -0.991 0.000 2.598 96 G HA2 -0.203 3.216 3.960 -0.901 0.000 0.215 96 G HA3 -0.203 3.487 3.960 -0.450 0.000 0.215 96 G C 0.334 175.007 174.900 -0.378 0.000 1.131 96 G CA 1.185 45.863 45.100 -0.704 0.000 0.785 96 G HN 0.572 8.414 8.290 -0.746 0.000 0.539 97 N N 1.198 119.690 118.700 -0.346 0.000 2.240 97 N HA -0.025 4.578 4.740 -0.229 0.000 0.187 97 N C 1.766 177.078 175.510 -0.330 0.000 1.042 97 N CA 1.758 54.647 53.050 -0.268 0.000 0.861 97 N CB 0.584 38.949 38.487 -0.203 0.000 1.026 97 N HN -0.186 8.173 8.380 -0.380 -0.207 0.441 98 T N -2.094 112.262 114.554 -0.330 0.000 3.067 98 T HA -0.122 3.993 4.350 -0.391 0.000 0.261 98 T C 0.682 175.114 174.700 -0.447 0.000 1.110 98 T CA 0.730 62.619 62.100 -0.352 0.000 1.113 98 T CB 1.207 69.943 68.868 -0.219 0.000 0.917 98 T HN -0.271 8.109 8.240 -0.304 -0.322 0.499 99 L N -3.421 117.569 121.223 -0.388 0.000 4.367 99 L HA -0.507 3.895 4.340 -0.074 -0.106 0.424 99 L C -1.519 175.361 176.870 0.016 0.000 1.152 99 L CA 0.762 55.492 54.840 -0.184 0.000 0.974 99 L CB -2.785 39.078 42.059 -0.325 0.000 2.012 99 L HN -0.374 7.554 8.230 -0.414 0.054 0.922 100 D N -1.106 119.263 120.400 -0.051 0.000 2.443 100 D HA -0.244 4.449 4.640 0.088 0.000 0.239 100 D C 0.410 176.764 176.300 0.092 0.000 1.136 100 D CA 1.625 55.644 54.000 0.032 0.000 0.879 100 D CB 0.997 41.785 40.800 -0.019 0.000 1.195 100 D HN -0.696 7.513 8.370 -0.157 0.067 0.443 101 N N -0.109 118.626 118.700 0.058 0.000 2.740 101 N HA -0.523 4.069 4.740 -0.247 0.000 0.248 101 N C -1.464 174.016 175.510 -0.051 0.000 1.062 101 N CA 1.297 54.263 53.050 -0.140 0.000 0.704 101 N CB -1.433 36.838 38.487 -0.360 0.000 0.968 101 N HN 0.453 8.892 8.380 0.099 0.000 0.547 102 D N -0.810 119.611 120.400 0.035 0.000 2.508 102 D HA 0.040 4.558 4.640 -0.203 0.000 0.224 102 D C -2.059 174.105 176.300 -0.227 0.000 1.171 102 D CA -0.122 53.862 54.000 -0.026 0.000 1.006 102 D CB -0.619 40.318 40.800 0.228 0.000 1.073 102 D HN -0.305 8.106 8.370 0.069 0.000 0.513 103 I N 2.314 122.676 120.570 -0.347 0.000 2.841 103 I HA 0.665 4.943 4.170 -0.176 -0.214 0.298 103 I C -3.033 173.006 176.117 -0.130 0.000 1.304 103 I CA -1.304 59.830 61.300 -0.277 0.000 1.019 103 I CB 4.087 41.784 38.000 -0.506 0.000 1.282 103 I HN -0.164 7.789 8.210 -0.386 0.026 0.432 104 M N 6.707 126.350 119.600 0.070 0.000 2.365 104 M HA 0.529 5.359 4.480 0.301 -0.169 0.287 104 M C -2.854 173.614 176.300 0.281 0.000 1.154 104 M CA -0.506 54.913 55.300 0.198 0.000 0.941 104 M CB 4.546 37.194 32.600 0.081 0.000 1.704 104 M HN 0.207 8.537 8.290 0.067 0.000 0.479 105 L N 4.230 125.668 121.223 0.359 0.000 2.325 105 L HA 0.793 5.485 4.340 0.308 -0.168 0.278 105 L C -1.419 175.678 176.870 0.379 0.000 1.023 105 L CA -1.320 53.726 54.840 0.343 0.000 0.811 105 L CB 3.364 45.545 42.059 0.203 0.000 1.249 105 L HN 0.897 9.272 8.230 0.419 0.107 0.431 106 I N 1.757 122.543 120.570 0.360 0.000 2.410 106 I HA 0.503 4.940 4.170 0.125 -0.193 0.286 106 I C -1.425 174.666 176.117 -0.043 0.000 1.009 106 I CA -1.375 60.020 61.300 0.158 0.000 1.111 106 I CB 2.728 40.776 38.000 0.081 0.000 1.262 106 I HN 0.986 9.441 8.210 0.409 0.000 0.443 107 K N 7.862 127.940 120.400 -0.538 0.000 2.297 107 K HA 0.453 4.000 4.320 -1.604 -0.189 0.286 107 K C -0.684 175.606 176.600 -0.518 0.000 1.053 107 K CA -1.066 54.558 56.287 -1.106 0.000 0.940 107 K CB 1.705 33.378 32.500 -1.377 0.000 1.019 107 K HN 0.423 8.477 8.250 -0.327 0.000 0.475 108 L N 6.321 127.280 121.223 -0.441 0.000 2.397 108 L HA -0.075 4.161 4.340 -0.173 0.000 0.271 108 L C 0.521 177.263 176.870 -0.212 0.000 1.148 108 L CA 0.554 55.252 54.840 -0.237 0.000 0.825 108 L CB 0.156 42.120 42.059 -0.159 0.000 1.117 108 L HN 0.555 8.335 8.230 -0.562 0.113 0.456 109 S N 3.597 119.217 115.700 -0.133 0.000 2.419 109 S HA -0.279 4.124 4.470 -0.111 0.000 0.233 109 S C -0.463 174.091 174.600 -0.077 0.000 1.016 109 S CA 2.629 60.771 58.200 -0.097 0.000 0.974 109 S CB 0.451 63.613 63.200 -0.063 0.000 0.786 109 S HN 0.569 8.814 8.310 -0.108 0.000 0.492 110 S N -2.170 113.489 115.700 -0.069 0.000 2.564 110 S HA 0.309 4.747 4.470 -0.052 0.000 0.274 110 S C -2.795 171.775 174.600 -0.050 0.000 1.124 110 S CA -2.558 55.612 58.200 -0.050 0.000 0.869 110 S CB 1.547 64.731 63.200 -0.027 0.000 1.105 110 S HN -0.807 7.430 8.310 -0.073 0.030 0.472 111 P HA -0.153 4.358 4.420 -0.040 -0.115 0.271 111 P C -0.730 176.567 177.300 -0.005 0.000 1.216 111 P CA -0.302 62.785 63.100 -0.023 0.000 0.771 111 P CB 0.489 32.186 31.700 -0.004 0.000 0.864 112 A N 5.243 128.067 122.820 0.006 0.000 2.520 112 A HA -0.061 4.381 4.320 0.024 -0.107 0.235 112 A C -0.183 177.417 177.584 0.027 0.000 1.065 112 A CA 0.282 52.334 52.037 0.025 0.000 0.764 112 A CB 0.946 19.971 19.000 0.042 0.000 1.002 112 A HN 0.423 8.575 8.150 0.003 0.000 0.502 113 T N 4.435 119.004 114.554 0.026 0.000 2.743 113 T HA -0.016 4.347 4.350 0.022 0.000 0.293 113 T C -1.027 173.691 174.700 0.031 0.000 0.945 113 T CA 0.238 62.352 62.100 0.023 0.000 1.030 113 T CB 0.609 69.486 68.868 0.015 0.000 0.912 113 T HN 0.078 8.692 8.240 0.027 -0.358 0.483 114 L N 7.704 128.946 121.223 0.033 0.000 2.312 114 L HA 0.292 4.821 4.340 0.046 -0.162 0.281 114 L C -0.708 176.181 176.870 0.032 0.000 1.070 114 L CA -0.609 54.255 54.840 0.040 0.000 0.805 114 L CB 0.610 42.696 42.059 0.044 0.000 1.174 114 L HN 0.358 8.606 8.230 0.030 0.000 0.434 115 N N 3.819 122.539 118.700 0.034 0.000 3.449 115 N HA 0.128 4.883 4.740 0.025 0.000 0.312 115 N C -0.789 174.739 175.510 0.030 0.000 1.557 115 N CA -0.560 52.506 53.050 0.027 0.000 0.864 115 N CB 0.285 38.785 38.487 0.021 0.000 1.799 115 N HN 0.498 8.903 8.380 0.041 0.000 0.554 116 S N -2.050 113.663 115.700 0.022 0.000 2.423 116 S HA -0.214 4.271 4.470 0.026 0.000 0.231 116 S C 0.532 175.144 174.600 0.020 0.000 1.014 116 S CA 2.537 60.749 58.200 0.021 0.000 0.965 116 S CB 0.006 63.214 63.200 0.013 0.000 0.785 116 S HN 0.234 8.555 8.310 0.018 0.000 0.495 117 R N -1.633 118.879 120.500 0.019 0.000 2.290 117 R HA 0.165 4.507 4.340 0.004 0.000 0.197 117 R C -1.016 175.302 176.300 0.030 0.000 0.913 117 R CA 0.226 56.336 56.100 0.017 0.000 1.040 117 R CB 1.447 31.758 30.300 0.018 0.000 0.992 117 R HN -0.625 7.815 8.270 0.020 -0.157 0.500 118 V N -0.901 119.038 119.914 0.042 0.000 2.447 118 V HA 0.434 4.792 4.120 0.062 -0.201 0.292 118 V C -2.270 173.866 176.094 0.069 0.000 1.021 118 V CA -1.867 60.468 62.300 0.059 0.000 0.850 118 V CB 2.071 33.929 31.823 0.058 0.000 1.005 118 V HN -0.294 8.125 8.190 0.038 -0.206 0.426 119 A N 6.554 129.432 122.820 0.096 0.000 2.572 119 A HA 0.586 4.960 4.320 0.090 0.000 0.295 119 A C -2.847 174.831 177.584 0.158 0.000 1.072 119 A CA -1.003 51.102 52.037 0.113 0.000 0.691 119 A CB 3.341 22.410 19.000 0.115 0.000 1.291 119 A HN 0.245 8.349 8.150 0.105 0.108 0.404 120 T N -2.086 112.544 114.554 0.127 0.000 2.868 120 T HA 0.272 4.895 4.350 0.150 -0.183 0.292 120 T C -0.173 174.588 174.700 0.102 0.000 1.028 120 T CA -1.056 61.118 62.100 0.123 0.000 1.059 120 T CB 0.911 69.829 68.868 0.083 0.000 0.991 120 T HN -0.095 8.204 8.240 0.099 0.000 0.531 121 V N 1.922 121.851 119.914 0.024 0.000 2.483 121 V HA 0.204 4.246 4.120 -0.131 0.000 0.295 121 V C -0.818 175.220 176.094 -0.094 0.000 1.035 121 V CA -1.998 60.210 62.300 -0.154 0.000 0.896 121 V CB 3.397 34.879 31.823 -0.569 0.000 0.986 121 V HN 0.355 8.577 8.190 0.053 0.000 0.447 122 S N 7.013 122.658 115.700 -0.091 0.000 2.549 122 S HA -0.059 4.394 4.470 -0.028 0.000 0.286 122 S C -0.200 174.367 174.600 -0.056 0.000 1.314 122 S CA 0.438 58.606 58.200 -0.053 0.000 1.062 122 S CB 0.618 63.792 63.200 -0.044 0.000 0.865 122 S HN 0.256 8.501 8.310 -0.107 0.000 0.498 123 L N 5.809 127.019 121.223 -0.023 0.000 2.476 123 L HA -0.018 4.318 4.340 -0.006 0.000 0.264 123 L C -1.057 175.808 176.870 -0.008 0.000 1.224 123 L CA -1.038 53.798 54.840 -0.006 0.000 0.821 123 L CB -0.796 41.272 42.059 0.015 0.000 1.101 123 L HN 0.244 8.466 8.230 -0.014 0.000 0.488 124 P HA -0.105 4.448 4.420 -0.010 -0.139 0.264 124 P C -0.761 176.541 177.300 0.003 0.000 1.193 124 P CA 0.081 63.183 63.100 0.003 0.000 0.763 124 P CB 0.198 31.908 31.700 0.016 0.000 0.810 128 c N 0.211 118.809 118.600 -0.003 0.000 2.649 128 c HA -0.028 4.545 4.570 0.004 0.000 0.377 128 c C 0.747 174.832 174.090 -0.008 0.000 1.321 128 c CA -0.041 56.287 56.329 -0.001 0.000 2.368 128 c CB 0.489 42.999 42.510 -0.001 0.000 2.597 128 c HN -0.016 8.211 8.230 -0.004 0.000 0.678 129 A N 1.036 123.849 122.820 -0.011 0.000 2.310 129 A HA 0.085 4.394 4.320 -0.018 0.000 0.299 129 A C -0.933 176.640 177.584 -0.019 0.000 1.147 129 A CA -0.549 51.477 52.037 -0.019 0.000 0.818 129 A CB 1.092 20.073 19.000 -0.030 0.000 1.096 129 A HN 0.238 8.383 8.150 -0.008 0.000 0.495 133 G N 1.844 110.615 108.800 -0.049 0.000 2.199 133 G HA2 -0.378 3.544 3.960 -0.063 0.000 0.254 133 G HA3 -0.378 3.560 3.960 -0.036 0.000 0.254 133 G C 0.067 174.938 174.900 -0.048 0.000 0.982 133 G CA -0.140 44.930 45.100 -0.049 0.000 0.632 133 G HN 0.766 8.907 8.290 -0.060 0.113 0.529 134 T N 3.897 118.423 114.554 -0.048 0.000 2.871 134 T HA -0.214 4.116 4.350 -0.032 0.000 0.296 134 T C -0.874 173.792 174.700 -0.056 0.000 0.998 134 T CA 2.289 64.362 62.100 -0.044 0.000 1.162 134 T CB 0.718 69.560 68.868 -0.042 0.000 0.947 134 T HN -0.476 7.666 8.240 -0.047 0.069 0.536 135 E N 6.506 126.684 120.200 -0.038 0.000 2.316 135 E HA -0.074 4.246 4.350 -0.049 0.000 0.275 135 E C -0.589 175.992 176.600 -0.033 0.000 1.029 135 E CA 0.560 56.941 56.400 -0.031 0.000 0.871 135 E CB 1.047 30.746 29.700 -0.001 0.000 1.022 135 E HN 0.291 8.635 8.360 -0.026 0.000 0.418 136 c N 4.141 122.714 118.600 -0.044 0.000 2.913 136 c HA 0.673 5.357 4.570 -0.033 -0.134 0.322 136 c C -1.560 172.524 174.090 -0.009 0.000 1.292 136 c CA -1.718 54.584 56.329 -0.046 0.000 1.649 136 c CB 3.617 46.061 42.510 -0.110 0.000 2.139 136 c HN 0.742 8.939 8.230 -0.054 0.000 0.475 137 L N 1.064 122.289 121.223 0.005 0.000 2.325 137 L HA 0.803 5.356 4.340 0.052 -0.182 0.281 137 L C -2.175 174.701 176.870 0.011 0.000 1.004 137 L CA -1.326 53.536 54.840 0.037 0.000 0.823 137 L CB 3.108 45.216 42.059 0.080 0.000 1.236 137 L HN 0.647 8.767 8.230 -0.006 0.106 0.415 138 I N 7.324 127.887 120.570 -0.011 0.000 2.441 138 I HA 0.776 5.152 4.170 -0.003 -0.208 0.295 138 I C -1.333 174.753 176.117 -0.051 0.000 0.994 138 I CA -1.464 59.825 61.300 -0.018 0.000 1.144 138 I CB 2.005 39.996 38.000 -0.014 0.000 1.314 138 I HN 0.887 8.987 8.210 0.000 0.110 0.445 139 S N 2.777 118.445 115.700 -0.054 0.000 2.564 139 S HA 1.000 5.513 4.470 -0.214 -0.172 0.274 139 S C -1.109 173.393 174.600 -0.163 0.000 1.124 139 S CA -1.725 56.376 58.200 -0.166 0.000 0.869 139 S CB 3.580 66.643 63.200 -0.228 0.000 1.105 139 S HN -0.193 8.119 8.310 0.004 0.000 0.472 140 G N -0.374 108.235 108.800 -0.318 0.000 2.320 140 G HA2 0.122 3.856 3.960 -0.376 0.000 0.297 140 G HA3 0.122 4.172 3.960 -0.029 -0.108 0.297 140 G C -2.260 172.437 174.900 -0.338 0.000 1.344 140 G CA 0.491 45.427 45.100 -0.273 0.000 0.851 140 G HN 0.332 8.362 8.290 -0.434 0.000 0.567 141 W N 0.975 122.207 121.300 -0.112 0.000 3.015 141 W HA 0.308 4.875 4.660 -0.154 0.000 0.429 141 W C -0.265 176.233 176.519 -0.035 0.000 0.976 141 W CA -0.980 56.230 57.345 -0.224 0.000 2.086 141 W CB 0.088 29.193 29.460 -0.591 0.000 1.125 141 W HN 0.558 8.949 8.180 0.353 0.000 0.721 142 G N 0.932 109.876 108.800 0.239 0.000 2.621 142 G HA2 -0.057 4.235 3.960 0.486 0.000 0.271 142 G HA3 -0.057 4.181 3.960 0.224 -0.144 0.271 142 G C -1.006 173.930 174.900 0.060 0.000 1.236 142 G CA -0.808 44.459 45.100 0.277 0.000 0.958 142 G HN -0.199 8.409 8.290 0.147 -0.230 0.512 143 N N -1.047 117.581 118.700 -0.120 0.000 2.412 143 N HA -0.318 3.963 4.740 -1.014 -0.150 0.254 143 N C 0.568 175.942 175.510 -0.227 0.000 1.232 143 N CA 0.915 53.662 53.050 -0.504 0.000 0.880 143 N CB 0.744 38.981 38.487 -0.416 0.000 1.076 143 N HN -0.034 8.403 8.380 0.096 0.000 0.458 144 T N -0.517 113.897 114.554 -0.234 0.000 3.001 144 T HA 0.220 4.629 4.350 -0.094 -0.116 0.251 144 T C 0.489 175.128 174.700 -0.103 0.000 1.040 144 T CA 0.157 62.181 62.100 -0.127 0.000 0.985 144 T CB 1.353 70.161 68.868 -0.100 0.000 1.011 144 T HN 0.502 8.543 8.240 -0.332 0.000 0.509 145 K N 3.030 123.354 120.400 -0.128 0.000 2.172 145 K HA 0.158 4.442 4.320 -0.059 0.000 0.276 145 K C 0.571 177.133 176.600 -0.062 0.000 1.013 145 K CA -1.429 54.808 56.287 -0.082 0.000 0.913 145 K CB 1.051 33.503 32.500 -0.080 0.000 1.055 145 K HN -0.468 7.968 8.250 -0.197 -0.304 0.461 146 S N 1.636 117.315 115.700 -0.036 0.000 2.527 146 S HA -0.046 4.414 4.470 -0.017 0.000 0.222 146 S C 0.316 174.908 174.600 -0.014 0.000 0.985 146 S CA 1.517 59.706 58.200 -0.019 0.000 0.921 146 S CB 0.632 63.828 63.200 -0.008 0.000 0.772 146 S HN 0.407 8.698 8.310 -0.032 0.000 0.529 147 S N -0.453 115.237 115.700 -0.016 0.000 2.998 147 S HA 0.048 4.516 4.470 -0.004 0.000 0.208 147 S C 0.675 175.270 174.600 -0.008 0.000 0.876 147 S CA -0.222 57.973 58.200 -0.008 0.000 0.836 147 S CB 0.418 63.616 63.200 -0.004 0.000 0.817 147 S HN -0.302 7.953 8.310 -0.023 0.041 0.631 148 G N 1.651 110.444 108.800 -0.010 0.000 3.086 148 G HA2 0.064 4.030 3.960 0.009 0.000 0.159 148 G HA3 0.064 4.025 3.960 0.002 0.000 0.159 148 G C -1.518 173.370 174.900 -0.019 0.000 1.654 148 G CA -0.424 44.675 45.100 -0.002 0.000 1.078 148 G HN 0.034 8.316 8.290 -0.014 0.000 0.558 149 S N -1.135 114.553 115.700 -0.020 0.000 2.546 149 S HA 0.150 4.726 4.470 -0.182 -0.216 0.272 149 S C -1.661 172.885 174.600 -0.089 0.000 1.140 149 S CA -0.178 57.973 58.200 -0.082 0.000 0.920 149 S CB 2.803 66.046 63.200 0.071 0.000 1.083 149 S HN -0.160 8.152 8.310 0.003 0.000 0.476 150 S N 3.857 119.413 115.700 -0.239 0.000 2.736 150 S HA 0.256 4.719 4.470 -0.012 0.000 0.285 150 S C -2.119 172.286 174.600 -0.325 0.000 1.163 150 S CA -0.152 57.957 58.200 -0.152 0.000 1.025 150 S CB 1.261 64.413 63.200 -0.079 0.000 1.030 150 S HN 0.344 8.748 8.310 -0.400 -0.334 0.486 151 Y N 5.523 125.845 120.300 0.036 0.000 2.353 151 Y HA 0.184 4.767 4.550 0.056 0.000 0.340 151 Y C -1.378 174.545 175.900 0.038 0.000 0.972 151 Y CA -2.851 55.277 58.100 0.047 0.000 1.157 151 Y CB 0.460 38.956 38.460 0.059 0.000 1.157 151 Y HN 0.109 8.524 8.280 0.224 0.000 0.495 152 P HA 0.178 4.635 4.420 0.061 0.000 0.274 152 P C -0.030 177.354 177.300 0.140 0.000 1.231 152 P CA -0.754 62.405 63.100 0.099 0.000 0.790 152 P CB 0.982 32.716 31.700 0.056 0.000 0.951 153 S N -1.161 114.588 115.700 0.081 0.000 2.387 153 S HA -0.194 4.421 4.470 0.022 -0.132 0.226 153 S C -0.299 174.374 174.600 0.122 0.000 1.026 153 S CA 0.803 59.035 58.200 0.053 0.000 0.972 153 S CB 0.662 63.866 63.200 0.007 0.000 0.814 153 S HN 0.282 8.622 8.310 0.050 0.000 0.477 154 L N -0.479 120.771 121.223 0.045 0.000 2.322 154 L HA 0.342 4.695 4.340 -0.300 -0.193 0.279 154 L C -0.289 176.482 176.870 -0.165 0.000 1.036 154 L CA -1.855 52.885 54.840 -0.167 0.000 0.807 154 L CB 1.964 43.859 42.059 -0.274 0.000 1.226 154 L HN -0.831 7.411 8.230 0.020 0.000 0.433 155 L N 2.967 123.992 121.223 -0.330 0.000 2.559 155 L HA -0.135 3.221 4.340 -1.640 0.000 0.274 155 L C -0.843 175.766 176.870 -0.435 0.000 1.205 155 L CA 1.019 55.382 54.840 -0.795 0.000 0.907 155 L CB 0.532 42.206 42.059 -0.642 0.000 1.153 155 L HN -0.129 7.933 8.230 -0.281 0.000 0.490 156 Q N 5.658 125.167 119.800 -0.485 0.000 2.222 156 Q HA 0.478 4.769 4.340 -0.333 -0.151 0.252 156 Q C -0.878 174.862 176.000 -0.434 0.000 0.926 156 Q CA -1.618 53.964 55.803 -0.370 0.000 0.899 156 Q CB 2.089 30.672 28.738 -0.260 0.000 1.250 156 Q HN -0.083 7.814 8.270 -0.622 0.000 0.441 157 c N 0.055 118.298 118.600 -0.596 0.000 2.707 157 c HA 0.929 5.430 4.570 -0.405 -0.174 0.313 157 c C -1.726 171.978 174.090 -0.643 0.000 1.209 157 c CA -0.732 55.186 56.329 -0.684 0.000 1.635 157 c CB 3.954 45.901 42.510 -0.940 0.000 2.206 157 c HN 0.917 8.727 8.230 -0.700 0.000 0.485 158 L N 1.129 122.211 121.223 -0.235 0.000 2.516 158 L HA 0.424 4.827 4.340 0.105 0.000 0.267 158 L C -2.238 174.716 176.870 0.140 0.000 0.957 158 L CA -0.222 54.632 54.840 0.024 0.000 0.860 158 L CB 4.459 46.549 42.059 0.050 0.000 1.265 158 L HN 0.640 8.767 8.230 -0.171 0.000 0.403 159 K N 7.199 127.756 120.400 0.261 0.000 2.297 159 K HA 0.551 5.165 4.320 0.152 -0.203 0.286 159 K C -0.807 175.959 176.600 0.277 0.000 1.053 159 K CA -0.829 55.589 56.287 0.219 0.000 0.940 159 K CB -0.230 32.396 32.500 0.210 0.000 1.019 159 K HN 0.309 8.768 8.250 0.347 0.000 0.475 160 A N 4.001 126.893 122.820 0.120 0.000 2.574 160 A HA 0.515 4.794 4.320 -0.067 0.000 0.297 160 A C -3.568 173.894 177.584 -0.203 0.000 1.062 160 A CA -1.949 50.048 52.037 -0.066 0.000 0.686 160 A CB 2.762 21.710 19.000 -0.086 0.000 1.285 160 A HN 0.634 8.814 8.150 0.051 0.000 0.403 161 P HA 0.656 5.187 4.420 -0.151 -0.202 0.287 161 P C -1.009 176.150 177.300 -0.234 0.000 1.270 161 P CA -1.702 61.258 63.100 -0.234 0.000 0.844 161 P CB 1.271 32.841 31.700 -0.217 0.000 1.068 162 V N 1.816 121.635 119.914 -0.158 0.000 2.485 162 V HA -0.184 3.969 4.120 -0.139 -0.116 0.287 162 V C 0.405 176.435 176.094 -0.106 0.000 1.022 162 V CA 1.738 63.963 62.300 -0.125 0.000 1.067 162 V CB -0.635 31.136 31.823 -0.087 0.000 0.967 162 V HN 0.076 8.189 8.190 -0.127 0.000 0.479 163 L N 8.101 129.268 121.223 -0.093 0.000 2.436 163 L HA 0.134 4.426 4.340 -0.080 0.000 0.265 163 L C -0.047 176.803 176.870 -0.034 0.000 1.168 163 L CA -0.267 54.533 54.840 -0.067 0.000 0.815 163 L CB 0.558 42.586 42.059 -0.053 0.000 1.109 163 L HN 0.283 8.351 8.230 -0.089 0.108 0.462 164 S N -0.049 115.636 115.700 -0.025 0.000 2.558 164 S HA -0.189 4.274 4.470 -0.012 0.000 0.293 164 S C 0.911 175.512 174.600 0.002 0.000 1.292 164 S CA 0.053 58.247 58.200 -0.011 0.000 1.063 164 S CB 0.778 63.973 63.200 -0.008 0.000 0.831 164 S HN -0.004 8.289 8.310 -0.029 0.000 0.499 165 D N 3.012 123.416 120.400 0.007 0.000 2.190 165 D HA -0.357 4.298 4.640 0.025 0.000 0.200 165 D C 1.862 178.177 176.300 0.026 0.000 0.992 165 D CA 3.460 57.472 54.000 0.019 0.000 0.854 165 D CB -0.206 40.604 40.800 0.016 0.000 0.936 165 D HN 0.566 8.937 8.370 0.003 0.000 0.462 166 S N -0.367 115.344 115.700 0.018 0.000 2.344 166 S HA -0.260 4.223 4.470 0.022 0.000 0.217 166 S C 1.954 176.566 174.600 0.019 0.000 1.033 166 S CA 3.333 61.544 58.200 0.017 0.000 1.017 166 S CB -0.547 62.659 63.200 0.009 0.000 0.941 166 S HN -0.003 8.290 8.310 0.011 0.023 0.430 167 S N 2.864 118.571 115.700 0.010 0.000 2.440 167 S HA -0.291 4.179 4.470 0.000 0.000 0.238 167 S C 1.892 176.504 174.600 0.020 0.000 1.010 167 S CA 2.695 60.899 58.200 0.006 0.000 0.972 167 S CB -0.419 62.779 63.200 -0.003 0.000 0.774 167 S HN -0.553 7.707 8.310 0.005 0.053 0.501 168 c N 1.558 120.183 118.600 0.041 0.000 2.489 168 c HA -0.228 4.406 4.570 0.107 0.000 0.279 168 c C 2.165 176.333 174.090 0.131 0.000 1.266 168 c CA 2.135 58.517 56.329 0.088 0.000 1.707 168 c CB -1.729 40.821 42.510 0.066 0.000 2.059 168 c HN 0.035 8.237 8.230 0.032 0.048 0.481 169 K N -0.584 119.872 120.400 0.094 0.000 2.148 169 K HA -0.327 4.082 4.320 0.149 0.000 0.204 169 K C 2.424 179.068 176.600 0.073 0.000 1.050 169 K CA 3.028 59.376 56.287 0.101 0.000 0.942 169 K CB -0.134 32.407 32.500 0.069 0.000 0.724 169 K HN -0.358 7.861 8.250 0.066 0.072 0.446 170 S N -0.665 115.053 115.700 0.031 0.000 2.402 170 S HA -0.154 4.317 4.470 0.002 0.000 0.229 170 S C 1.621 176.189 174.600 -0.054 0.000 1.021 170 S CA 3.057 61.254 58.200 -0.005 0.000 0.974 170 S CB -0.277 62.913 63.200 -0.017 0.000 0.800 170 S HN 0.077 8.404 8.310 0.028 0.000 0.484 171 S N 0.387 116.029 115.700 -0.096 0.000 2.428 171 S HA -0.142 4.143 4.470 -0.308 0.000 0.230 171 S C -1.219 173.060 174.600 -0.536 0.000 1.014 171 S CA 3.556 61.551 58.200 -0.342 0.000 0.957 171 S CB 0.805 63.756 63.200 -0.414 0.000 0.784 171 S HN -0.691 7.508 8.310 -0.030 0.092 0.499 172 Y N -2.506 117.816 120.300 0.037 0.000 2.535 172 Y HA 0.547 5.148 4.550 0.084 0.000 0.351 172 Y C -2.793 173.160 175.900 0.089 0.000 1.050 172 Y CA -2.693 55.465 58.100 0.097 0.000 1.168 172 Y CB 0.274 38.852 38.460 0.197 0.000 1.116 172 Y HN -0.762 7.575 8.280 0.133 0.023 0.654 173 P HA -0.091 4.508 4.420 0.084 -0.128 0.262 173 P C 0.822 178.183 177.300 0.102 0.000 1.199 173 P CA 1.018 64.172 63.100 0.090 0.000 0.763 173 P CB -0.028 31.696 31.700 0.039 0.000 0.790 174 G N 4.637 113.493 108.800 0.092 0.000 2.168 174 G HA2 -0.368 3.628 3.960 0.060 0.000 0.263 174 G HA3 -0.368 3.624 3.960 0.052 0.000 0.263 174 G C 0.171 175.124 174.900 0.088 0.000 0.977 174 G CA 0.638 45.781 45.100 0.073 0.000 0.659 174 G HN 0.580 8.922 8.290 0.087 0.000 0.533 175 Q N -2.309 117.585 119.800 0.156 0.000 2.214 175 Q HA 0.104 4.489 4.340 0.074 0.000 0.229 175 Q C -0.529 175.629 176.000 0.262 0.000 0.835 175 Q CA -0.424 55.487 55.803 0.180 0.000 0.953 175 Q CB 1.588 30.496 28.738 0.283 0.000 1.131 175 Q HN -0.210 8.133 8.270 0.201 0.048 0.501 176 I N 1.388 122.094 120.570 0.226 0.000 2.297 176 I HA 0.175 4.504 4.170 0.265 0.000 0.291 176 I C -0.452 175.744 176.117 0.132 0.000 1.033 176 I CA -2.666 58.754 61.300 0.199 0.000 1.253 176 I CB -1.502 36.590 38.000 0.152 0.000 1.396 176 I HN -0.356 7.968 8.210 0.190 0.000 0.476 177 T N 4.076 118.708 114.554 0.130 0.000 2.770 177 T HA 0.129 4.517 4.350 0.063 0.000 0.281 177 T C 1.591 176.333 174.700 0.071 0.000 0.981 177 T CA -1.047 61.102 62.100 0.082 0.000 0.955 177 T CB 1.709 70.620 68.868 0.071 0.000 1.060 177 T HN -0.531 7.815 8.240 0.176 0.000 0.531 178 G N -1.194 107.632 108.800 0.043 0.000 2.586 178 G HA2 -0.154 3.823 3.960 0.029 0.000 0.215 178 G HA3 -0.154 3.811 3.960 0.008 0.000 0.215 178 G C -0.178 174.741 174.900 0.032 0.000 1.128 178 G CA 1.260 46.376 45.100 0.027 0.000 0.774 178 G HN 0.488 8.797 8.290 0.032 0.000 0.543 179 N N -0.369 118.370 118.700 0.066 0.000 2.273 179 N HA 0.179 4.970 4.740 0.085 0.000 0.231 179 N C -1.584 174.030 175.510 0.174 0.000 1.134 179 N CA -0.793 52.330 53.050 0.121 0.000 0.856 179 N CB 0.741 39.330 38.487 0.170 0.000 1.068 179 N HN -0.465 7.895 8.380 0.075 0.065 0.510 180 M N -1.408 118.270 119.600 0.130 0.000 2.501 180 M HA 0.765 5.521 4.480 0.144 -0.190 0.293 180 M C -1.876 174.475 176.300 0.085 0.000 1.192 180 M CA -0.356 55.019 55.300 0.125 0.000 0.886 180 M CB 5.126 37.810 32.600 0.141 0.000 1.710 180 M HN -0.745 7.527 8.290 0.101 0.079 0.457 181 I N -7.329 113.292 120.570 0.084 0.000 2.934 181 I HA 0.626 4.824 4.170 0.047 0.000 0.306 181 I C -2.573 173.597 176.117 0.089 0.000 1.110 181 I CA -2.519 58.822 61.300 0.068 0.000 1.019 181 I CB 4.045 42.080 38.000 0.057 0.000 1.227 181 I HN 0.653 8.929 8.210 0.109 0.000 0.434 182 c N 1.829 120.467 118.600 0.063 0.000 2.355 182 c HA 0.854 5.731 4.570 0.169 -0.206 0.332 182 c C -0.445 173.677 174.090 0.053 0.000 1.255 182 c CA -0.912 55.474 56.329 0.094 0.000 1.792 182 c CB 1.175 43.718 42.510 0.055 0.000 2.300 182 c HN 0.804 9.056 8.230 0.037 0.000 0.515 183 V N 4.032 123.999 119.914 0.088 0.000 2.443 183 V HA 0.461 4.658 4.120 -0.163 -0.175 0.272 183 V C -1.993 174.058 176.094 -0.071 0.000 1.002 183 V CA -0.371 61.853 62.300 -0.126 0.000 0.840 183 V CB 1.008 32.569 31.823 -0.437 0.000 1.042 183 V HN -0.002 8.377 8.190 0.316 0.000 0.446 184 F N 3.555 123.532 119.950 0.044 0.000 2.426 184 F HA 0.358 4.899 4.527 0.023 0.000 0.348 184 F C 0.725 176.542 175.800 0.028 0.000 1.124 184 F CA -0.651 57.367 58.000 0.030 0.000 1.008 184 F CB 1.589 40.606 39.000 0.028 0.000 1.139 184 F HN 0.361 8.801 8.300 0.235 0.000 0.452 185 L N 3.679 124.998 121.223 0.160 0.000 2.275 185 L HA -0.291 4.091 4.340 0.071 0.000 0.215 185 L C 1.129 178.055 176.870 0.094 0.000 1.119 185 L CA 2.330 57.225 54.840 0.092 0.000 0.790 185 L CB -0.413 41.675 42.059 0.048 0.000 0.919 185 L HN 0.454 8.763 8.230 0.131 0.000 0.443 186 E N -2.391 117.883 120.200 0.122 0.000 2.478 186 E HA -0.144 4.238 4.350 0.054 0.000 0.198 186 E C 0.762 177.401 176.600 0.064 0.000 1.046 186 E CA 0.215 56.661 56.400 0.076 0.000 0.870 186 E CB -0.565 29.171 29.700 0.060 0.000 0.818 186 E HN 0.050 8.488 8.360 0.181 0.030 0.527 187 G N 0.889 109.747 108.800 0.096 0.000 3.445 187 G HA2 -0.388 3.763 3.960 0.101 0.000 0.680 187 G HA3 -0.388 3.631 3.960 0.056 -0.026 0.680 187 G C -0.926 173.995 174.900 0.036 0.000 0.972 187 G CA 0.006 45.151 45.100 0.076 0.000 0.798 187 G HN -0.602 7.721 8.290 0.147 0.055 0.461 188 K N 0.747 121.157 120.400 0.016 0.000 6.320 188 K HA -0.579 3.998 4.320 0.023 -0.243 0.744 188 K C -1.688 175.039 176.600 0.212 0.000 1.766 188 K CA 0.200 56.517 56.287 0.051 0.000 1.669 188 K CB -0.161 32.254 32.500 -0.141 0.000 2.014 188 K HN 0.344 8.634 8.250 0.065 0.000 0.322 189 D N 1.420 121.911 120.400 0.151 0.000 2.639 189 D HA 0.323 5.100 4.640 0.228 0.000 0.271 189 D C -1.759 174.621 176.300 0.133 0.000 1.254 189 D CA -0.964 53.139 54.000 0.171 0.000 0.810 189 D CB 4.210 45.094 40.800 0.141 0.000 1.351 189 D HN -0.043 8.385 8.370 0.095 0.000 0.427 190 S N -0.924 114.875 115.700 0.166 0.000 2.632 190 S HA 0.298 4.941 4.470 0.102 -0.111 0.267 190 S C -0.803 173.850 174.600 0.089 0.000 1.276 190 S CA 0.119 58.400 58.200 0.133 0.000 0.998 190 S CB 0.993 64.316 63.200 0.204 0.000 0.953 190 S HN 0.075 8.517 8.310 0.221 0.000 0.547 191 c N -1.904 116.747 118.600 0.086 0.000 3.318 191 c HA 0.218 4.828 4.570 0.066 0.000 0.329 191 c C -1.144 173.025 174.090 0.132 0.000 1.449 191 c CA -0.555 55.822 56.329 0.080 0.000 1.397 191 c CB 4.087 46.623 42.510 0.044 0.000 1.810 191 c HN 0.584 9.245 8.230 0.098 -0.371 0.449 192 Q N 1.214 121.105 119.800 0.151 0.000 2.304 192 Q HA -0.362 4.107 4.340 0.214 0.000 0.315 192 Q C 1.295 177.491 176.000 0.327 0.000 1.075 192 Q CA 1.485 57.424 55.803 0.225 0.000 0.988 192 Q CB -0.473 28.394 28.738 0.216 0.000 1.146 192 Q HN 0.504 8.843 8.270 0.115 0.000 0.383 193 G N 6.491 115.482 108.800 0.318 0.000 2.241 193 G HA2 -0.478 3.828 3.960 0.283 0.000 0.244 193 G HA3 -0.478 3.787 3.960 0.509 0.000 0.244 193 G C 0.735 175.870 174.900 0.392 0.000 0.998 193 G CA 1.285 46.614 45.100 0.381 0.000 0.621 193 G HN 0.400 8.854 8.290 0.274 0.000 0.519 194 D N 1.954 122.522 120.400 0.279 0.000 2.289 194 D HA 0.011 4.796 4.640 0.241 0.000 0.207 194 D C 0.310 176.727 176.300 0.195 0.000 0.966 194 D CA 1.348 55.480 54.000 0.220 0.000 0.868 194 D CB 0.098 40.994 40.800 0.161 0.000 0.943 194 D HN 0.137 8.572 8.370 0.248 0.084 0.514 195 S N -0.596 115.227 115.700 0.204 0.000 2.817 195 S HA -0.579 4.166 4.470 0.257 -0.121 0.333 195 S C 1.144 175.796 174.600 0.086 0.000 1.227 195 S CA 2.749 61.074 58.200 0.208 0.000 1.027 195 S CB -0.340 63.047 63.200 0.312 0.000 0.732 195 S HN -0.690 7.724 8.310 0.227 0.032 0.499 196 G N 4.395 113.236 108.800 0.069 0.000 2.234 196 G HA2 -0.479 3.543 3.960 0.005 0.000 0.260 196 G HA3 -0.479 3.548 3.960 -0.051 -0.098 0.260 196 G C -0.410 174.536 174.900 0.077 0.000 0.987 196 G CA 0.482 45.592 45.100 0.016 0.000 0.625 196 G HN 1.002 9.264 8.290 0.139 0.112 0.532 197 G N 0.474 109.348 108.800 0.123 0.000 2.588 197 G HA2 0.407 4.521 3.960 0.137 0.000 0.281 197 G HA3 0.407 4.514 3.960 0.145 -0.060 0.281 197 G C -2.726 172.269 174.900 0.158 0.000 1.236 197 G CA -2.144 43.041 45.100 0.142 0.000 0.969 197 G HN -0.113 8.177 8.290 0.138 0.083 0.504 198 P HA 0.278 4.776 4.420 0.130 0.000 0.282 198 P C -1.584 175.777 177.300 0.101 0.000 1.249 198 P CA -0.773 62.423 63.100 0.160 0.000 0.806 198 P CB 1.343 33.224 31.700 0.302 0.000 0.984 199 V N 2.321 122.252 119.914 0.028 0.000 2.407 199 V HA 0.316 4.571 4.120 -0.066 -0.175 0.291 199 V C -1.270 174.783 176.094 -0.069 0.000 1.018 199 V CA -0.708 61.545 62.300 -0.079 0.000 0.842 199 V CB 1.815 33.479 31.823 -0.266 0.000 0.996 199 V HN -0.094 8.116 8.190 0.033 0.000 0.426 200 V N 7.089 126.972 119.914 -0.052 0.000 2.487 200 V HA 0.625 4.885 4.120 -0.111 -0.206 0.298 200 V C -1.511 174.549 176.094 -0.056 0.000 1.028 200 V CA -1.898 60.353 62.300 -0.082 0.000 0.860 200 V CB 3.128 34.870 31.823 -0.136 0.000 0.991 200 V HN 0.503 8.681 8.190 -0.020 0.000 0.427 201 c N 6.431 124.993 118.600 -0.064 0.000 2.397 201 c HA 0.581 5.245 4.570 -0.036 -0.115 0.325 201 c C 0.211 174.277 174.090 -0.040 0.000 1.201 201 c CA -1.429 54.871 56.329 -0.048 0.000 1.377 201 c CB 2.503 44.978 42.510 -0.058 0.000 2.038 201 c HN 0.997 9.078 8.230 -0.077 0.103 0.457 202 N N 5.563 124.248 118.700 -0.025 0.000 2.707 202 N HA -0.421 4.312 4.740 -0.011 0.000 0.253 202 N C -0.216 175.278 175.510 -0.028 0.000 0.998 202 N CA 1.139 54.177 53.050 -0.020 0.000 0.751 202 N CB -1.306 37.170 38.487 -0.019 0.000 0.920 202 N HN 0.767 9.137 8.380 -0.018 0.000 0.539 203 G N -8.054 100.723 108.800 -0.037 0.000 2.148 203 G HA2 -0.494 3.433 3.960 -0.056 0.000 0.254 203 G HA3 -0.494 3.447 3.960 -0.032 0.000 0.254 203 G C -1.555 173.293 174.900 -0.087 0.000 0.981 203 G CA 0.163 45.231 45.100 -0.052 0.000 0.670 203 G HN 0.238 8.494 8.290 -0.033 0.013 0.528 210 Q N 0.600 120.381 119.800 -0.033 0.000 2.391 210 Q HA 0.177 4.527 4.340 0.016 0.000 0.211 210 Q C -0.141 175.871 176.000 0.020 0.000 0.908 210 Q CA 0.182 55.981 55.803 -0.007 0.000 0.920 210 Q CB 2.277 30.995 28.738 -0.033 0.000 1.056 210 Q HN 0.250 8.485 8.270 -0.059 0.000 0.523 211 G N -2.620 106.186 108.800 0.010 0.000 2.619 211 G HA2 0.574 4.860 3.960 0.122 0.000 0.296 211 G HA3 0.574 4.529 3.960 -0.008 0.000 0.296 211 G C -3.192 171.783 174.900 0.125 0.000 1.334 211 G CA -0.648 44.493 45.100 0.068 0.000 0.934 211 G HN -0.477 7.807 8.290 -0.011 0.000 0.476 212 I N 0.082 120.782 120.570 0.216 0.000 2.466 212 I HA 0.525 5.014 4.170 0.181 -0.211 0.289 212 I C -0.036 176.264 176.117 0.304 0.000 1.026 212 I CA -1.517 59.905 61.300 0.204 0.000 1.078 212 I CB 4.020 42.082 38.000 0.102 0.000 1.249 212 I HN -0.379 7.991 8.210 0.266 0.000 0.429 213 V N 7.995 128.094 119.914 0.308 0.000 2.509 213 V HA -0.313 3.819 4.120 0.021 0.000 0.297 213 V C -1.142 175.019 176.094 0.113 0.000 1.014 213 V CA 2.631 65.040 62.300 0.181 0.000 1.127 213 V CB -0.647 31.306 31.823 0.216 0.000 0.925 213 V HN 0.591 8.833 8.190 0.264 0.107 0.480 214 S N 7.852 123.520 115.700 -0.053 0.000 3.414 214 S HA 0.457 5.243 4.470 0.351 -0.105 0.193 214 S C -1.245 173.416 174.600 0.103 0.000 0.825 214 S CA 0.204 58.487 58.200 0.138 0.000 0.837 214 S CB 2.804 66.102 63.200 0.163 0.000 0.940 214 S HN -0.103 7.958 8.310 -0.414 0.000 0.639 215 W N -2.230 118.918 121.300 -0.254 0.000 3.003 215 W HA 0.395 4.914 4.660 -0.235 0.000 0.362 215 W C -2.682 173.691 176.519 -0.244 0.000 1.213 215 W CA -1.045 56.153 57.345 -0.245 0.000 1.157 215 W CB 1.292 30.619 29.460 -0.221 0.000 1.493 215 W HN -0.055 7.901 8.180 -0.373 0.000 0.589 216 G N -1.594 107.289 108.800 0.138 0.000 2.435 216 G HA2 0.173 3.907 3.960 -0.376 0.000 0.296 216 G HA3 0.173 4.131 3.960 -0.003 0.000 0.296 216 G C -2.258 172.881 174.900 0.398 0.000 1.240 216 G CA 0.291 45.412 45.100 0.036 0.000 0.872 216 G HN -0.096 8.437 8.290 0.405 0.000 0.480 220 c N 0.940 119.551 118.600 0.017 0.000 3.482 220 c HA 0.260 5.009 4.570 0.070 -0.136 0.208 220 c C -1.449 172.675 174.090 0.056 0.000 1.306 220 c CA -1.436 54.922 56.329 0.049 0.000 1.254 220 c CB -1.079 41.455 42.510 0.041 0.000 1.832 220 c HN -0.050 8.179 8.230 -0.001 0.000 0.554 221 Q N -0.874 118.979 119.800 0.088 0.000 3.025 221 Q HA 0.006 4.390 4.340 0.073 0.000 0.212 221 Q C -1.479 174.571 176.000 0.085 0.000 1.000 221 Q CA -0.100 55.758 55.803 0.092 0.000 0.942 221 Q CB 2.236 31.057 28.738 0.138 0.000 2.232 221 Q HN 0.289 8.619 8.270 0.101 0.000 0.577 222 K N 3.712 124.150 120.400 0.064 0.000 2.472 222 K HA -0.349 4.136 4.320 0.051 -0.135 0.280 222 K C -0.020 176.593 176.600 0.022 0.000 1.028 222 K CA 1.095 57.408 56.287 0.044 0.000 1.045 222 K CB -0.119 32.400 32.500 0.031 0.000 0.902 222 K HN 0.363 8.650 8.250 0.061 0.000 0.478 223 N N 0.236 118.940 118.700 0.007 0.000 2.741 223 N HA -0.465 4.255 4.740 -0.033 0.000 0.251 223 N C -2.063 173.374 175.510 -0.121 0.000 1.112 223 N CA 1.818 54.839 53.050 -0.049 0.000 0.750 223 N CB -0.917 37.531 38.487 -0.066 0.000 1.119 223 N HN 0.727 9.013 8.380 0.030 0.113 0.561 224 K N -1.571 118.808 120.400 -0.036 0.000 2.954 224 K HA 0.523 4.685 4.320 -0.264 0.000 0.171 224 K C -2.476 174.214 176.600 0.150 0.000 1.079 224 K CA -3.571 52.715 56.287 -0.002 0.000 0.908 224 K CB 0.159 32.742 32.500 0.139 0.000 1.142 224 K HN -0.770 7.449 8.250 0.030 0.049 0.613 225 P HA -0.045 4.464 4.420 0.149 0.000 0.272 225 P C 0.029 177.410 177.300 0.135 0.000 1.223 225 P CA -0.496 62.695 63.100 0.152 0.000 0.784 225 P CB 0.850 32.617 31.700 0.112 0.000 0.923 226 G N -0.637 108.216 108.800 0.090 0.000 2.414 226 G HA2 0.011 3.821 3.960 -0.250 0.000 0.236 226 G HA3 0.011 3.989 3.960 -0.080 -0.065 0.236 226 G C -1.316 173.379 174.900 -0.341 0.000 1.293 226 G CA -0.008 45.004 45.100 -0.148 0.000 0.869 226 G HN -0.136 8.334 8.290 0.168 -0.079 0.556 227 V N 2.821 122.215 119.914 -0.866 0.000 2.495 227 V HA 0.497 4.512 4.120 -0.446 -0.163 0.298 227 V C -1.095 174.450 176.094 -0.914 0.000 1.031 227 V CA -1.770 59.983 62.300 -0.911 0.000 0.871 227 V CB 1.659 32.422 31.823 -1.767 0.000 0.988 227 V HN 0.349 7.979 8.190 -0.933 0.000 0.432 228 Y N 5.252 125.431 120.300 -0.200 0.000 2.462 228 Y HA 0.515 5.201 4.550 -0.024 -0.151 0.346 228 Y C 0.052 175.959 175.900 0.011 0.000 0.976 228 Y CA -2.109 55.957 58.100 -0.056 0.000 1.044 228 Y CB 3.961 42.398 38.460 -0.038 0.000 1.230 228 Y HN 1.119 9.397 8.280 -0.004 0.000 0.455 229 T N 5.994 120.655 114.554 0.177 0.000 2.853 229 T HA -0.086 4.494 4.350 0.158 -0.135 0.298 229 T C -0.575 174.232 174.700 0.178 0.000 0.978 229 T CA 1.681 63.865 62.100 0.141 0.000 1.152 229 T CB 0.483 69.364 68.868 0.023 0.000 0.914 229 T HN 0.378 8.723 8.240 0.176 0.000 0.539 230 K N 8.841 129.377 120.400 0.226 0.000 2.110 230 K HA -0.006 4.528 4.320 0.151 -0.123 0.260 230 K C 0.949 177.726 176.600 0.296 0.000 1.126 230 K CA -0.448 55.964 56.287 0.207 0.000 1.005 230 K CB -0.352 32.239 32.500 0.153 0.000 1.336 230 K HN 0.291 8.576 8.250 0.244 0.112 0.369 231 V N 5.002 125.056 119.914 0.233 0.000 2.568 231 V HA -0.407 3.958 4.120 0.408 0.000 0.253 231 V C 1.497 177.731 176.094 0.234 0.000 1.072 231 V CA 3.350 65.810 62.300 0.268 0.000 1.084 231 V CB -0.856 31.055 31.823 0.146 0.000 0.676 231 V HN 0.220 8.508 8.190 0.162 0.000 0.469 232 c N -4.663 114.014 118.600 0.129 0.000 2.472 232 c HA -0.103 4.506 4.570 0.065 0.000 0.278 232 c C 1.108 175.207 174.090 0.016 0.000 1.447 232 c CA 0.456 56.822 56.329 0.063 0.000 1.773 232 c CB -2.117 40.411 42.510 0.030 0.000 1.793 232 c HN 0.516 8.769 8.230 0.116 0.046 0.544 233 N N 0.701 119.377 118.700 -0.040 0.000 2.422 233 N HA -0.011 4.615 4.740 -0.189 0.000 0.181 233 N C 0.120 175.372 175.510 -0.430 0.000 1.080 233 N CA 0.922 53.794 53.050 -0.298 0.000 0.893 233 N CB 0.173 38.363 38.487 -0.495 0.000 0.973 233 N HN -0.244 8.120 8.380 0.065 0.056 0.456 234 Y N -3.888 116.467 120.300 0.091 0.000 2.531 234 Y HA 0.111 4.793 4.550 0.219 0.000 0.249 234 Y C 0.492 176.514 175.900 0.205 0.000 1.168 234 Y CA -0.540 57.670 58.100 0.183 0.000 1.226 234 Y CB 0.527 39.101 38.460 0.190 0.000 1.177 234 Y HN -0.490 7.725 8.280 0.178 0.172 0.527 235 V N 0.971 121.005 119.914 0.199 0.000 2.407 235 V HA -0.505 3.700 4.120 0.141 0.000 0.248 235 V C 1.637 177.794 176.094 0.105 0.000 1.055 235 V CA 4.565 66.944 62.300 0.131 0.000 1.049 235 V CB -0.668 31.196 31.823 0.068 0.000 0.662 235 V HN -0.161 8.104 8.190 0.125 0.000 0.455 236 N N -0.334 118.432 118.700 0.111 0.000 2.058 236 N HA -0.287 4.473 4.740 0.033 0.000 0.191 236 N C 1.771 177.353 175.510 0.119 0.000 1.037 236 N CA 3.240 56.342 53.050 0.086 0.000 0.848 236 N CB -0.678 37.857 38.487 0.080 0.000 1.021 236 N HN 0.039 8.480 8.380 0.103 0.000 0.422 237 W N 1.211 122.549 121.300 0.064 0.000 2.335 237 W HA -0.188 4.644 4.660 0.036 -0.150 0.311 237 W C 1.839 178.369 176.519 0.017 0.000 1.213 237 W CA 3.327 60.721 57.345 0.081 0.000 1.274 237 W CB -0.088 29.519 29.460 0.245 0.000 1.148 237 W HN -0.278 8.155 8.180 0.421 0.000 0.498 238 I N -1.490 119.085 120.570 0.008 0.000 2.163 238 I HA -0.725 3.043 4.170 -0.669 0.000 0.243 238 I C 2.013 177.885 176.117 -0.409 0.000 1.085 238 I CA 4.013 65.134 61.300 -0.299 0.000 1.347 238 I CB -0.387 37.605 38.000 -0.013 0.000 1.044 238 I HN 0.225 8.638 8.210 0.339 0.000 0.408 239 Q N -0.888 118.773 119.800 -0.231 0.000 2.119 239 Q HA -0.333 3.849 4.340 -0.263 0.000 0.201 239 Q C 2.409 178.247 176.000 -0.270 0.000 0.972 239 Q CA 2.831 58.499 55.803 -0.225 0.000 0.847 239 Q CB -0.593 28.076 28.738 -0.115 0.000 0.903 239 Q HN -0.077 8.126 8.270 -0.112 0.000 0.433 240 Q N -0.389 119.258 119.800 -0.254 0.000 2.084 240 Q HA -0.331 3.907 4.340 -0.169 0.000 0.202 240 Q C 2.714 178.507 176.000 -0.344 0.000 0.978 240 Q CA 3.434 59.096 55.803 -0.235 0.000 0.844 240 Q CB 0.066 28.701 28.738 -0.173 0.000 0.898 240 Q HN 0.290 8.433 8.270 -0.212 0.000 0.426 241 T N 3.042 117.251 114.554 -0.576 0.000 2.737 241 T HA -0.365 3.710 4.350 -0.459 0.000 0.265 241 T C 2.003 176.298 174.700 -0.675 0.000 1.038 241 T CA 4.782 66.485 62.100 -0.662 0.000 1.144 241 T CB -0.111 68.116 68.868 -1.068 0.000 0.866 241 T HN -0.265 7.557 8.240 -0.696 0.000 0.434 242 I N 1.227 121.259 120.570 -0.897 0.000 2.163 242 I HA -0.553 2.711 4.170 -1.511 0.000 0.243 242 I C 2.132 178.049 176.117 -0.334 0.000 1.085 242 I CA 4.120 64.850 61.300 -0.951 0.000 1.347 242 I CB -0.396 37.041 38.000 -0.938 0.000 1.044 242 I HN -0.240 7.467 8.210 -0.839 0.000 0.408 243 A N -0.544 122.125 122.820 -0.253 0.000 1.978 243 A HA -0.279 3.998 4.320 -0.072 0.000 0.220 243 A C 1.223 178.766 177.584 -0.068 0.000 1.170 243 A CA 2.795 54.762 52.037 -0.117 0.000 0.636 243 A CB -0.625 18.311 19.000 -0.107 0.000 0.810 243 A HN 0.010 7.974 8.150 -0.310 0.000 0.448 244 A N -4.148 118.613 122.820 -0.098 0.000 1.970 244 A HA -0.045 4.258 4.320 -0.027 0.000 0.216 244 A C 0.264 177.862 177.584 0.022 0.000 1.170 244 A CA 1.131 53.141 52.037 -0.044 0.000 0.645 244 A CB 0.578 19.535 19.000 -0.073 0.000 0.816 244 A HN -0.240 7.707 8.150 -0.176 0.098 0.447 245 N N 0.000 118.751 118.700 0.084 0.000 1.763 245 N HA 0.000 4.820 4.740 0.134 0.000 0.220 245 N CA 0.000 53.175 53.050 0.208 0.000 0.885 245 N CB 0.000 38.674 38.487 0.312 0.000 1.341 245 N HN 0.000 8.400 8.380 0.033 0.000 0.667