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 2a32_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 4.164 4.170 -0.009 0.000 0.288 16 I C 0.000 176.085 176.117 -0.054 0.000 1.063 16 I CA 0.000 61.270 61.300 -0.050 0.000 1.566 16 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 17 V N 6.370 126.269 119.914 -0.025 0.000 2.439 17 V HA 0.168 4.419 4.120 -0.041 -0.156 0.282 17 V C 0.690 176.773 176.094 -0.017 0.000 1.039 17 V CA -1.301 60.983 62.300 -0.025 0.000 0.913 17 V CB 0.746 32.562 31.823 -0.012 0.000 0.983 17 V HN 0.769 8.959 8.190 0.000 0.000 0.460 18 G N 6.876 115.660 108.800 -0.026 0.000 2.136 18 G HA2 -0.374 3.568 3.960 -0.031 0.000 0.242 18 G HA3 -0.374 3.749 3.960 -0.047 -0.191 0.242 18 G C -1.290 173.605 174.900 -0.009 0.000 0.989 18 G CA 0.346 45.427 45.100 -0.031 0.000 0.682 18 G HN 0.780 9.052 8.290 -0.030 0.000 0.522 19 G N -1.566 107.227 108.800 -0.012 0.000 2.606 19 G HA2 0.479 4.471 3.960 0.059 0.000 0.262 19 G HA3 0.479 4.446 3.960 -0.122 -0.080 0.262 19 G C -1.735 173.203 174.900 0.065 0.000 1.394 19 G CA -1.743 43.349 45.100 -0.014 0.000 1.044 19 G HN -0.607 7.630 8.290 -0.033 0.033 0.553 20 Y N -5.894 114.385 120.300 -0.034 0.000 2.615 20 Y HA 0.405 4.939 4.550 -0.027 0.000 0.341 20 Y C -1.733 174.149 175.900 -0.029 0.000 1.089 20 Y CA -2.294 55.789 58.100 -0.028 0.000 1.049 20 Y CB 1.620 40.067 38.460 -0.022 0.000 1.296 20 Y HN 0.406 8.362 8.280 -0.540 0.000 0.470 21 T N 4.097 118.694 114.554 0.071 0.000 2.799 21 T HA -0.023 4.385 4.350 -0.096 -0.117 0.296 21 T C 0.030 174.774 174.700 0.074 0.000 0.947 21 T CA 1.186 63.296 62.100 0.017 0.000 1.141 21 T CB -0.049 68.868 68.868 0.081 0.000 0.891 21 T HN 0.006 8.341 8.240 0.157 0.000 0.533 22 c N 7.735 126.301 118.600 -0.057 0.000 2.665 22 c HA -0.211 4.394 4.570 0.059 0.000 0.416 22 c C -0.013 174.106 174.090 0.049 0.000 1.305 22 c CA -0.015 56.311 56.329 -0.004 0.000 1.903 22 c CB -0.222 42.227 42.510 -0.103 0.000 2.704 22 c HN 0.173 8.317 8.230 -0.144 0.000 0.629 23 A N 3.110 125.939 122.820 0.015 0.000 2.531 23 A HA -0.107 4.172 4.320 -0.068 0.000 0.236 23 A C -0.499 176.899 177.584 -0.311 0.000 1.062 23 A CA 0.319 52.302 52.037 -0.091 0.000 0.760 23 A CB 0.870 19.845 19.000 -0.042 0.000 0.995 23 A HN 0.253 8.449 8.150 0.076 0.000 0.501 24 A N 3.409 125.917 122.820 -0.519 0.000 2.546 24 A HA -0.303 2.927 4.320 -1.817 0.000 0.243 24 A C -0.415 176.958 177.584 -0.351 0.000 1.063 24 A CA 0.579 52.110 52.037 -0.843 0.000 0.757 24 A CB -0.081 18.605 19.000 -0.525 0.000 0.991 24 A HN 0.099 8.037 8.150 -0.354 0.000 0.503 25 N N -0.803 117.751 118.700 -0.244 0.000 2.753 25 N HA -0.439 4.273 4.740 -0.046 0.000 0.251 25 N C 0.630 176.080 175.510 -0.101 0.000 1.097 25 N CA 1.819 54.812 53.050 -0.097 0.000 0.786 25 N CB -0.938 37.520 38.487 -0.048 0.000 1.137 25 N HN 0.552 8.769 8.380 -0.273 0.000 0.566 26 S N -1.545 114.078 115.700 -0.128 0.000 2.562 26 S HA -0.121 4.312 4.470 -0.062 0.000 0.221 26 S C -0.323 174.205 174.600 -0.119 0.000 0.975 26 S CA 2.153 60.299 58.200 -0.090 0.000 0.918 26 S CB 0.606 63.766 63.200 -0.066 0.000 0.772 26 S HN -0.038 8.106 8.310 -0.173 0.062 0.531 27 I N 1.629 122.070 120.570 -0.216 0.000 2.778 27 I HA 0.426 4.293 4.170 -0.505 0.000 0.285 27 I C -1.537 174.258 176.117 -0.536 0.000 1.236 27 I CA -3.925 57.091 61.300 -0.474 0.000 1.089 27 I CB -0.458 37.247 38.000 -0.492 0.000 1.601 27 I HN -0.155 7.871 8.210 -0.183 0.074 0.573 28 P HA 0.139 4.596 4.420 -0.081 -0.086 0.233 28 P C 0.478 177.748 177.300 -0.050 0.000 1.167 28 P CA 1.425 64.457 63.100 -0.113 0.000 0.770 28 P CB -0.178 31.522 31.700 0.001 0.000 0.837 29 Y N -5.061 115.271 120.300 0.053 0.000 2.523 29 Y HA 0.371 5.094 4.550 0.067 -0.133 0.279 29 Y C -0.285 175.661 175.900 0.077 0.000 1.139 29 Y CA -2.710 55.427 58.100 0.062 0.000 1.296 29 Y CB -1.391 37.099 38.460 0.049 0.000 1.045 29 Y HN -0.348 7.544 8.280 -0.593 0.032 0.538 30 Q N 2.712 122.390 119.800 -0.204 0.000 2.297 30 Q HA 0.177 4.730 4.340 0.115 -0.144 0.267 30 Q C -0.005 176.092 176.000 0.163 0.000 1.006 30 Q CA 0.114 55.914 55.803 -0.006 0.000 0.896 30 Q CB 0.880 29.512 28.738 -0.177 0.000 1.186 30 Q HN -0.538 7.214 8.270 -0.640 0.134 0.392 31 V N 1.706 121.752 119.914 0.220 0.000 2.919 31 V HA 0.727 5.098 4.120 0.230 -0.113 0.316 31 V C -1.813 174.459 176.094 0.295 0.000 1.077 31 V CA -3.261 59.170 62.300 0.217 0.000 0.977 31 V CB 3.588 35.479 31.823 0.114 0.000 1.039 31 V HN 0.407 8.722 8.190 0.208 0.000 0.441 32 S N 1.573 117.338 115.700 0.109 0.000 2.437 32 S HA 0.407 5.107 4.470 0.179 -0.123 0.305 32 S C -0.811 173.666 174.600 -0.206 0.000 1.109 32 S CA -1.972 56.209 58.200 -0.033 0.000 1.099 32 S CB 1.138 64.099 63.200 -0.397 0.000 1.004 32 S HN 0.052 8.378 8.310 0.026 0.000 0.475 33 L N 6.972 127.948 121.223 -0.412 0.000 2.276 33 L HA 0.495 4.765 4.340 -0.348 -0.138 0.286 33 L C -1.352 175.071 176.870 -0.746 0.000 1.061 33 L CA -0.696 53.776 54.840 -0.612 0.000 0.807 33 L CB 0.530 42.051 42.059 -0.897 0.000 1.177 33 L HN 0.913 8.865 8.230 -0.463 0.000 0.429 38 G N 4.364 113.132 108.800 -0.053 0.000 2.363 38 G HA2 -0.300 3.623 3.960 -0.061 0.000 0.238 38 G HA3 -0.300 3.623 3.960 -0.062 0.000 0.238 38 G C -1.189 173.677 174.900 -0.055 0.000 1.062 38 G CA 0.329 45.393 45.100 -0.059 0.000 0.629 38 G HN 0.077 8.605 8.290 -0.059 -0.274 0.514 39 S N -0.419 115.261 115.700 -0.034 0.000 2.638 39 S HA 0.220 4.654 4.470 -0.060 0.000 0.274 39 S C -1.718 172.884 174.600 0.004 0.000 1.157 39 S CA -0.872 57.309 58.200 -0.032 0.000 0.826 39 S CB 3.023 66.201 63.200 -0.036 0.000 1.139 39 S HN -0.633 7.621 8.310 -0.003 0.054 0.474 40 H N 2.583 121.579 119.070 -0.122 0.000 3.034 40 H HA -0.275 4.290 4.556 -0.246 -0.156 0.324 40 H C -0.164 175.153 175.328 -0.017 0.000 1.015 40 H CA 1.695 57.645 56.048 -0.164 0.000 1.429 40 H CB 0.032 29.654 29.762 -0.234 0.000 1.429 40 H HN 0.559 8.855 8.280 0.026 0.000 0.585 41 F N 1.036 120.521 119.950 -0.775 0.000 2.815 41 F HA 0.352 4.709 4.527 -0.282 0.000 0.328 41 F C -1.807 173.726 175.800 -0.444 0.000 0.982 41 F CA -0.255 57.468 58.000 -0.461 0.000 1.154 41 F CB 1.882 40.730 39.000 -0.252 0.000 0.980 41 F HN 0.145 7.652 8.300 -1.321 0.000 0.603 42 c N -1.314 116.549 118.600 -1.228 0.000 3.288 42 c HA 0.343 4.841 4.570 -0.186 -0.039 0.318 42 c C -1.444 172.431 174.090 -0.358 0.000 1.356 42 c CA -0.176 55.814 56.329 -0.565 0.000 1.359 42 c CB 4.207 46.439 42.510 -0.464 0.000 1.688 42 c HN -0.694 6.474 8.230 -1.770 0.000 0.467 43 G N -0.780 108.020 108.800 0.001 0.000 2.535 43 G HA2 0.694 4.972 3.960 0.242 0.000 0.303 43 G HA3 0.694 4.772 3.960 0.197 0.000 0.303 43 G C -2.177 172.745 174.900 0.037 0.000 1.237 43 G CA -1.262 43.916 45.100 0.130 0.000 0.986 43 G HN 0.600 8.815 8.290 0.037 0.097 0.494 44 G N -3.802 105.058 108.800 0.101 0.000 2.600 44 G HA2 0.428 4.724 3.960 0.088 0.000 0.293 44 G HA3 0.428 4.429 3.960 0.067 0.000 0.293 44 G C -2.750 172.244 174.900 0.156 0.000 1.408 44 G CA 0.155 45.313 45.100 0.097 0.000 0.782 44 G HN -0.613 7.774 8.290 0.162 0.000 0.482 45 S N -0.470 115.328 115.700 0.163 0.000 2.557 45 S HA 0.787 5.638 4.470 0.293 -0.205 0.291 45 S C -1.416 173.295 174.600 0.184 0.000 1.116 45 S CA -0.788 57.541 58.200 0.215 0.000 0.992 45 S CB 3.652 66.961 63.200 0.182 0.000 1.028 45 S HN 0.499 8.891 8.310 0.138 0.000 0.484 46 L N 6.417 127.766 121.223 0.209 0.000 2.313 46 L HA 0.147 4.702 4.340 0.159 -0.119 0.282 46 L C -0.982 175.978 176.870 0.151 0.000 1.092 46 L CA 0.126 55.069 54.840 0.172 0.000 0.831 46 L CB 1.013 43.171 42.059 0.165 0.000 1.159 46 L HN 0.516 8.793 8.230 0.262 0.110 0.442 47 I N 0.929 121.583 120.570 0.140 0.000 4.403 47 I HA 0.529 4.884 4.170 0.071 -0.142 0.331 47 I C -1.190 174.988 176.117 0.102 0.000 1.327 47 I CA -1.514 59.845 61.300 0.099 0.000 1.175 47 I CB 1.299 39.346 38.000 0.078 0.000 1.165 47 I HN 0.313 8.624 8.210 0.169 0.000 0.413 48 N N -0.164 118.625 118.700 0.149 0.000 2.708 48 N HA 0.152 4.957 4.740 0.108 0.000 0.257 48 N C -0.249 175.352 175.510 0.151 0.000 1.373 48 N CA -0.365 52.776 53.050 0.152 0.000 0.843 48 N CB 2.613 41.218 38.487 0.198 0.000 1.503 48 N HN -0.815 7.669 8.380 0.175 0.000 0.504 49 S N 0.150 115.921 115.700 0.119 0.000 2.440 49 S HA -0.360 4.157 4.470 0.077 0.000 0.238 49 S C 0.691 175.328 174.600 0.063 0.000 1.010 49 S CA 2.742 60.992 58.200 0.084 0.000 0.972 49 S CB 0.067 63.304 63.200 0.063 0.000 0.774 49 S HN 0.542 8.918 8.310 0.109 0.000 0.501 50 Q N -2.334 117.519 119.800 0.087 0.000 2.217 50 Q HA 0.264 4.534 4.340 -0.116 0.000 0.217 50 Q C -1.396 174.450 176.000 -0.257 0.000 0.844 50 Q CA -0.351 55.400 55.803 -0.088 0.000 0.957 50 Q CB 1.960 30.624 28.738 -0.124 0.000 1.127 50 Q HN -0.112 8.602 8.270 0.188 -0.331 0.503 51 W N -1.572 119.736 121.300 0.013 0.000 2.957 51 W HA 0.663 5.553 4.660 0.009 -0.224 0.336 51 W C -1.524 175.012 176.519 0.027 0.000 1.087 51 W CA -0.844 56.507 57.345 0.010 0.000 1.235 51 W CB 3.668 33.122 29.460 -0.010 0.000 1.399 51 W HN -0.350 7.872 8.180 0.264 0.116 0.480 52 V N 2.228 122.299 119.914 0.262 0.000 2.513 52 V HA 0.743 5.153 4.120 0.179 -0.182 0.299 52 V C -1.851 174.370 176.094 0.212 0.000 1.035 52 V CA -1.609 60.805 62.300 0.189 0.000 0.889 52 V CB 3.415 35.306 31.823 0.114 0.000 0.988 52 V HN 0.925 9.267 8.190 0.255 0.000 0.440 53 V N 5.896 125.913 119.914 0.171 0.000 2.547 53 V HA 0.976 5.389 4.120 0.188 -0.181 0.299 53 V C -1.994 174.172 176.094 0.121 0.000 1.040 53 V CA -2.905 59.490 62.300 0.159 0.000 0.913 53 V CB 2.899 34.811 31.823 0.148 0.000 0.992 53 V HN 0.613 8.898 8.190 0.158 0.000 0.449 54 S N 6.624 122.386 115.700 0.103 0.000 2.880 54 S HA 0.514 5.236 4.470 0.058 -0.218 0.308 54 S C -2.250 172.361 174.600 0.018 0.000 1.195 54 S CA -2.326 55.906 58.200 0.054 0.000 0.866 54 S CB 2.644 65.861 63.200 0.028 0.000 1.254 54 S HN 0.668 9.054 8.310 0.127 0.000 0.571 55 A N -0.287 122.507 122.820 -0.043 0.000 2.301 55 A HA 0.419 4.877 4.320 -0.070 -0.180 0.312 55 A C 0.543 178.016 177.584 -0.186 0.000 1.182 55 A CA -1.770 50.206 52.037 -0.101 0.000 0.826 55 A CB 1.216 20.139 19.000 -0.129 0.000 1.134 55 A HN 0.341 8.455 8.150 -0.059 0.000 0.501 56 A N 6.022 128.652 122.820 -0.317 0.000 1.978 56 A HA -0.280 3.881 4.320 -0.265 0.000 0.220 56 A C 1.188 178.480 177.584 -0.487 0.000 1.170 56 A CA 2.784 54.496 52.037 -0.542 0.000 0.636 56 A CB -0.364 17.916 19.000 -1.200 0.000 0.810 56 A HN 0.648 8.638 8.150 -0.312 -0.027 0.448 57 H N -5.017 113.838 119.070 -0.359 0.000 2.559 57 H HA -0.045 4.522 4.556 0.018 0.000 0.273 57 H C 0.545 175.914 175.328 0.069 0.000 1.000 57 H CA 1.964 57.994 56.048 -0.031 0.000 1.195 57 H CB -0.814 29.035 29.762 0.146 0.000 1.368 57 H HN -0.045 8.409 8.280 -0.199 -0.293 0.592 58 c N -1.114 117.299 118.600 -0.311 0.000 2.539 58 c HA -0.063 4.495 4.570 -0.021 0.000 0.271 58 c C -0.023 174.122 174.090 0.090 0.000 1.412 58 c CA 0.434 56.721 56.329 -0.069 0.000 1.729 58 c CB -2.353 40.134 42.510 -0.040 0.000 1.739 58 c HN -0.561 7.277 8.230 -0.357 0.177 0.570 59 Y N 3.532 123.801 120.300 -0.051 0.000 2.712 59 Y HA -0.261 4.292 4.550 0.004 0.000 0.333 59 Y C -0.822 175.033 175.900 -0.075 0.000 1.225 59 Y CA 1.824 59.906 58.100 -0.031 0.000 1.499 59 Y CB 0.534 38.971 38.460 -0.039 0.000 1.288 59 Y HN -0.310 7.883 8.280 0.131 0.166 0.575 60 K N 7.661 127.513 120.400 -0.912 0.000 2.482 60 K HA 0.176 4.086 4.320 -0.683 0.000 0.257 60 K C -1.378 174.543 176.600 -1.132 0.000 0.969 60 K CA -1.485 54.275 56.287 -0.879 0.000 0.842 60 K CB 1.854 33.972 32.500 -0.638 0.000 1.359 60 K HN 0.082 7.671 8.250 -1.101 0.000 0.441 61 S N -1.008 114.304 115.700 -0.646 0.000 2.496 61 S HA -0.188 4.044 4.470 -0.397 0.000 0.224 61 S C -0.715 173.762 174.600 -0.205 0.000 0.996 61 S CA 1.712 59.706 58.200 -0.343 0.000 0.927 61 S CB 0.923 64.087 63.200 -0.060 0.000 0.774 61 S HN 0.368 8.417 8.310 -0.435 0.000 0.524 62 R N -0.459 119.914 120.500 -0.212 0.000 2.575 62 R HA 0.223 4.501 4.340 -0.104 0.000 0.293 62 R C -1.802 174.422 176.300 -0.127 0.000 0.983 62 R CA -0.890 55.129 56.100 -0.135 0.000 0.887 62 R CB 2.515 32.754 30.300 -0.102 0.000 1.184 62 R HN -0.616 7.448 8.270 -0.279 0.038 0.445 63 I N 1.718 122.247 120.570 -0.067 0.000 2.692 63 I HA 0.139 4.341 4.170 0.053 0.000 0.293 63 I C -2.352 173.749 176.117 -0.027 0.000 1.200 63 I CA -0.709 60.593 61.300 0.002 0.000 1.036 63 I CB 4.452 42.480 38.000 0.047 0.000 1.258 63 I HN 0.318 8.489 8.210 -0.065 0.000 0.421 64 Q N 5.865 125.641 119.800 -0.039 0.000 2.290 64 Q HA 0.391 4.692 4.340 -0.066 0.000 0.259 64 Q C -1.620 174.306 176.000 -0.124 0.000 0.941 64 Q CA -1.591 54.160 55.803 -0.087 0.000 0.912 64 Q CB 2.924 31.583 28.738 -0.132 0.000 1.244 64 Q HN 0.635 8.898 8.270 -0.011 0.000 0.441 65 V N 8.242 128.099 119.914 -0.095 0.000 2.432 65 V HA 0.182 4.355 4.120 -0.119 -0.124 0.275 65 V C -1.202 174.842 176.094 -0.083 0.000 1.043 65 V CA -0.184 62.064 62.300 -0.086 0.000 0.925 65 V CB 0.830 32.632 31.823 -0.036 0.000 0.985 65 V HN 0.911 8.968 8.190 -0.064 0.095 0.466 66 R N 6.933 127.359 120.500 -0.122 0.000 2.275 66 R HA 0.552 5.105 4.340 0.098 -0.155 0.326 66 R C -0.873 175.464 176.300 0.063 0.000 0.973 66 R CA -1.218 54.843 56.100 -0.065 0.000 0.854 66 R CB 1.057 31.141 30.300 -0.360 0.000 1.156 66 R HN 0.858 9.037 8.270 -0.151 0.000 0.487 70 E N -0.412 119.922 120.200 0.224 0.000 2.313 70 E HA 0.078 4.551 4.350 0.205 0.000 0.272 70 E C -1.344 175.520 176.600 0.439 0.000 1.038 70 E CA -0.169 56.389 56.400 0.264 0.000 0.863 70 E CB 1.222 30.991 29.700 0.115 0.000 1.060 70 E HN -0.511 7.956 8.360 0.235 0.034 0.402 71 H N 3.676 122.904 119.070 0.263 0.000 2.143 71 H HA 0.099 4.876 4.556 0.368 0.000 0.238 71 H C -0.866 174.676 175.328 0.356 0.000 0.914 71 H CA 1.379 57.604 56.048 0.295 0.000 1.154 71 H CB 3.274 33.119 29.762 0.139 0.000 1.359 71 H HN -0.053 8.613 8.280 0.310 -0.199 0.493 72 N N 0.932 119.686 118.700 0.090 0.000 2.439 72 N HA 0.129 5.066 4.740 -0.041 -0.222 0.243 72 N C 1.789 177.282 175.510 -0.028 0.000 1.088 72 N CA -1.148 51.902 53.050 -0.000 0.000 0.940 72 N CB -0.038 38.459 38.487 0.015 0.000 1.180 72 N HN -0.649 8.508 8.380 0.200 -0.657 0.505 73 I N 0.640 121.107 120.570 -0.171 0.000 3.176 73 I HA -0.128 4.028 4.170 -0.272 -0.148 0.275 73 I C -0.343 175.676 176.117 -0.164 0.000 1.298 73 I CA 1.682 62.785 61.300 -0.328 0.000 1.445 73 I CB -0.494 37.050 38.000 -0.759 0.000 1.075 73 I HN 0.392 8.514 8.210 -0.147 0.000 0.482 74 D N -2.281 118.066 120.400 -0.087 0.000 2.349 74 D HA 0.083 4.693 4.640 -0.049 0.000 0.214 74 D C -0.597 175.699 176.300 -0.006 0.000 1.063 74 D CA 0.746 54.720 54.000 -0.042 0.000 0.847 74 D CB 1.660 42.441 40.800 -0.031 0.000 0.933 74 D HN -0.353 8.177 8.370 -0.077 -0.206 0.513 75 V N -0.232 119.687 119.914 0.008 0.000 2.760 75 V HA 0.051 4.183 4.120 0.021 0.000 0.309 75 V C -1.749 174.368 176.094 0.038 0.000 1.077 75 V CA -1.341 60.973 62.300 0.023 0.000 0.910 75 V CB 3.132 34.969 31.823 0.023 0.000 1.008 75 V HN -0.730 7.466 8.190 0.002 -0.004 0.424 76 L N 7.175 128.416 121.223 0.029 0.000 2.385 76 L HA -0.105 4.435 4.340 0.017 -0.189 0.281 76 L C 0.189 177.059 176.870 -0.000 0.000 1.106 76 L CA 0.362 55.205 54.840 0.005 0.000 0.856 76 L CB -0.249 41.792 42.059 -0.030 0.000 1.186 76 L HN 0.429 8.674 8.230 0.024 0.000 0.453 77 E N 6.365 126.571 120.200 0.009 0.000 2.431 77 E HA 0.105 4.467 4.350 0.020 0.000 0.200 77 E C 0.366 176.966 176.600 0.000 0.000 0.995 77 E CA 0.175 56.587 56.400 0.021 0.000 0.915 77 E CB 0.773 30.507 29.700 0.058 0.000 0.930 77 E HN 0.557 9.379 8.360 0.020 -0.450 0.496 78 G N -1.076 107.707 108.800 -0.027 0.000 2.352 78 G HA2 -0.323 3.596 3.960 -0.068 0.000 0.204 78 G HA3 -0.323 3.619 3.960 -0.029 0.000 0.204 78 G C 0.030 174.902 174.900 -0.047 0.000 1.004 78 G CA 0.418 45.491 45.100 -0.045 0.000 0.648 78 G HN 0.118 8.658 8.290 -0.041 -0.275 0.491 79 N N 0.808 119.496 118.700 -0.021 0.000 2.336 79 N HA 0.046 4.775 4.740 -0.019 0.000 0.189 79 N C -0.760 174.745 175.510 -0.008 0.000 1.113 79 N CA -0.377 52.668 53.050 -0.010 0.000 0.858 79 N CB 0.287 38.782 38.487 0.014 0.000 0.970 79 N HN 0.327 8.707 8.380 -0.001 0.000 0.471 80 E N -0.462 119.714 120.200 -0.040 0.000 2.404 80 E HA 0.071 4.655 4.350 0.070 -0.193 0.261 80 E C 0.052 176.604 176.600 -0.082 0.000 1.074 80 E CA 0.730 57.112 56.400 -0.029 0.000 0.917 80 E CB 0.292 29.935 29.700 -0.096 0.000 0.965 80 E HN -0.367 7.891 8.360 -0.067 0.062 0.433 81 Q N 2.183 122.009 119.800 0.043 0.000 2.310 81 Q HA 0.320 4.627 4.340 -0.056 0.000 0.270 81 Q C -1.491 174.679 176.000 0.284 0.000 1.025 81 Q CA -1.301 54.534 55.803 0.053 0.000 0.772 81 Q CB 3.230 31.999 28.738 0.052 0.000 1.253 81 Q HN 0.364 8.729 8.270 0.158 0.000 0.450 82 F N 3.655 123.592 119.950 -0.023 0.000 2.388 82 F HA 0.734 5.423 4.527 -0.035 -0.183 0.358 82 F C 0.213 175.995 175.800 -0.030 0.000 1.122 82 F CA -3.226 54.755 58.000 -0.031 0.000 1.056 82 F CB 0.836 39.816 39.000 -0.034 0.000 1.155 82 F HN 0.282 8.630 8.300 0.080 0.000 0.461 83 I N 4.268 124.915 120.570 0.129 0.000 2.534 83 I HA 0.132 4.333 4.170 0.050 0.000 0.288 83 I C -1.670 174.448 176.117 0.001 0.000 1.077 83 I CA -1.111 60.217 61.300 0.048 0.000 1.051 83 I CB 3.411 41.426 38.000 0.024 0.000 1.234 83 I HN 1.025 9.294 8.210 0.098 0.000 0.425 84 N N 6.287 124.980 118.700 -0.011 0.000 2.525 84 N HA 0.053 4.874 4.740 -0.038 -0.105 0.271 84 N C -0.576 174.900 175.510 -0.056 0.000 1.194 84 N CA -0.301 52.729 53.050 -0.034 0.000 0.964 84 N CB 1.017 39.486 38.487 -0.030 0.000 1.126 84 N HN 0.506 8.885 8.380 -0.001 0.000 0.452 85 A N 1.367 124.150 122.820 -0.061 0.000 2.450 85 A HA 0.151 4.539 4.320 -0.108 -0.133 0.255 85 A C -0.797 176.738 177.584 -0.081 0.000 1.096 85 A CA 0.336 52.325 52.037 -0.080 0.000 0.778 85 A CB 0.491 19.456 19.000 -0.059 0.000 1.031 85 A HN 0.388 8.507 8.150 -0.052 0.000 0.494 86 A N 4.624 127.375 122.820 -0.116 0.000 1.956 86 A HA 0.072 4.350 4.320 -0.069 0.000 0.212 86 A C -0.218 177.316 177.584 -0.083 0.000 1.188 86 A CA 0.974 52.950 52.037 -0.100 0.000 0.675 86 A CB 1.442 20.364 19.000 -0.131 0.000 0.845 86 A HN 0.469 8.521 8.150 -0.162 0.000 0.455 87 K N -2.045 118.287 120.400 -0.112 0.000 2.464 87 K HA 0.317 4.646 4.320 0.015 0.000 0.253 87 K C -2.103 174.512 176.600 0.026 0.000 0.933 87 K CA -0.948 55.320 56.287 -0.031 0.000 0.801 87 K CB 3.454 35.941 32.500 -0.021 0.000 1.271 87 K HN -0.638 7.503 8.250 -0.182 0.000 0.430 88 I N 2.377 123.019 120.570 0.120 0.000 2.476 88 I HA 0.430 4.869 4.170 0.187 -0.157 0.281 88 I C -0.928 175.351 176.117 0.270 0.000 1.040 88 I CA -0.631 60.789 61.300 0.200 0.000 1.094 88 I CB 1.627 39.739 38.000 0.186 0.000 1.219 88 I HN 0.376 8.664 8.210 0.129 0.000 0.450 89 I N 9.575 130.314 120.570 0.282 0.000 2.411 89 I HA 0.350 4.648 4.170 0.214 0.000 0.284 89 I C -1.110 175.190 176.117 0.306 0.000 1.012 89 I CA -1.216 60.246 61.300 0.271 0.000 1.119 89 I CB 2.356 40.521 38.000 0.275 0.000 1.261 89 I HN 1.003 9.393 8.210 0.300 0.000 0.448 90 T N 5.871 120.539 114.554 0.189 0.000 2.913 90 T HA 0.046 4.475 4.350 0.131 0.000 0.287 90 T C -0.266 174.513 174.700 0.131 0.000 1.008 90 T CA -1.434 60.734 62.100 0.112 0.000 1.067 90 T CB 1.307 70.139 68.868 -0.059 0.000 0.996 90 T HN 0.367 8.673 8.240 0.110 0.000 0.513 91 H N 3.753 122.753 119.070 -0.117 0.000 2.964 91 H HA -0.013 4.212 4.556 -0.553 0.000 0.328 91 H C 0.644 175.911 175.328 -0.101 0.000 1.030 91 H CA 0.574 56.386 56.048 -0.392 0.000 1.445 91 H CB 1.261 30.620 29.762 -0.673 0.000 1.449 91 H HN -0.120 8.145 8.280 -0.024 0.000 0.581 92 P HA -0.096 4.332 4.420 0.013 0.000 0.222 92 P C -0.551 176.806 177.300 0.094 0.000 1.147 92 P CA 1.476 64.547 63.100 -0.047 0.000 0.790 92 P CB 0.454 32.111 31.700 -0.072 0.000 0.780 93 N N -2.731 116.153 118.700 0.307 0.000 2.238 93 N HA 0.058 4.865 4.740 0.112 0.000 0.222 93 N C -0.603 175.013 175.510 0.177 0.000 1.133 93 N CA -0.572 52.612 53.050 0.224 0.000 0.854 93 N CB 0.246 38.853 38.487 0.199 0.000 1.041 93 N HN -0.423 8.327 8.380 0.647 0.018 0.510 94 F N 3.485 123.474 119.950 0.066 0.000 2.612 94 F HA -0.266 4.448 4.527 -0.057 -0.221 0.389 94 F C -0.379 175.405 175.800 -0.025 0.000 1.055 94 F CA 1.290 59.281 58.000 -0.015 0.000 1.232 94 F CB 0.250 39.244 39.000 -0.010 0.000 1.044 94 F HN -0.603 7.746 8.300 0.377 0.177 0.560 95 N N 7.499 125.751 118.700 -0.747 0.000 2.443 95 N HA 0.145 4.551 4.740 -0.557 0.000 0.269 95 N C -0.706 174.152 175.510 -1.086 0.000 0.985 95 N CA -0.975 51.649 53.050 -0.710 0.000 0.921 95 N CB 2.694 40.972 38.487 -0.349 0.000 1.195 95 N HN -0.029 8.035 8.380 -0.527 0.000 0.492 96 G N 4.910 113.151 108.800 -0.933 0.000 2.598 96 G HA2 -0.204 3.289 3.960 -0.778 0.000 0.215 96 G HA3 -0.204 3.528 3.960 -0.380 0.000 0.215 96 G C 0.457 175.144 174.900 -0.354 0.000 1.131 96 G CA 1.348 46.071 45.100 -0.628 0.000 0.785 96 G HN 0.592 8.463 8.290 -0.700 0.000 0.539 97 N N 1.272 119.773 118.700 -0.332 0.000 2.197 97 N HA -0.032 4.575 4.740 -0.222 0.000 0.184 97 N C 1.671 176.988 175.510 -0.321 0.000 1.030 97 N CA 1.735 54.629 53.050 -0.260 0.000 0.851 97 N CB 0.815 39.182 38.487 -0.199 0.000 1.003 97 N HN -0.129 8.217 8.380 -0.354 -0.179 0.430 98 T N -3.712 110.643 114.554 -0.330 0.000 3.065 98 T HA 0.020 4.132 4.350 -0.397 0.000 0.252 98 T C 0.499 174.944 174.700 -0.426 0.000 1.099 98 T CA 0.122 62.010 62.100 -0.353 0.000 1.063 98 T CB 1.620 70.352 68.868 -0.227 0.000 0.948 98 T HN -0.317 8.073 8.240 -0.306 -0.334 0.506 99 L N -3.563 117.441 121.223 -0.365 0.000 4.496 99 L HA -0.487 3.916 4.340 -0.060 -0.099 0.419 99 L C -1.687 175.199 176.870 0.026 0.000 1.139 99 L CA 0.676 55.420 54.840 -0.160 0.000 0.975 99 L CB -2.411 39.489 42.059 -0.264 0.000 2.099 99 L HN -0.295 7.653 8.230 -0.405 0.039 0.818 100 D N -1.086 119.281 120.400 -0.055 0.000 2.443 100 D HA -0.211 4.483 4.640 0.089 0.000 0.239 100 D C 0.375 176.721 176.300 0.077 0.000 1.136 100 D CA 1.573 55.589 54.000 0.028 0.000 0.879 100 D CB 1.017 41.800 40.800 -0.030 0.000 1.195 100 D HN -0.705 7.514 8.370 -0.161 0.055 0.443 101 N N -0.591 118.144 118.700 0.057 0.000 2.758 101 N HA -0.516 4.111 4.740 -0.188 0.000 0.248 101 N C -1.531 173.966 175.510 -0.022 0.000 1.076 101 N CA 1.256 54.235 53.050 -0.118 0.000 0.696 101 N CB -1.391 36.877 38.487 -0.365 0.000 0.979 101 N HN 0.502 8.942 8.380 0.100 0.000 0.550 102 D N -0.870 119.567 120.400 0.062 0.000 2.551 102 D HA 0.039 4.686 4.640 0.012 0.000 0.223 102 D C -2.016 174.196 176.300 -0.147 0.000 1.144 102 D CA -0.213 53.824 54.000 0.062 0.000 1.025 102 D CB -0.616 40.342 40.800 0.263 0.000 1.085 102 D HN -0.258 8.164 8.370 0.088 0.000 0.506 103 I N 2.196 122.609 120.570 -0.263 0.000 2.775 103 I HA 0.636 4.931 4.170 -0.123 -0.199 0.295 103 I C -3.094 172.976 176.117 -0.078 0.000 1.287 103 I CA -1.260 59.912 61.300 -0.212 0.000 1.029 103 I CB 4.050 41.790 38.000 -0.433 0.000 1.282 103 I HN -0.274 7.749 8.210 -0.290 0.013 0.426 104 M N 6.470 126.128 119.600 0.096 0.000 2.421 104 M HA 0.624 5.454 4.480 0.309 -0.165 0.287 104 M C -2.776 173.704 176.300 0.299 0.000 1.183 104 M CA -0.868 54.563 55.300 0.219 0.000 0.916 104 M CB 4.701 37.366 32.600 0.108 0.000 1.701 104 M HN 0.256 8.606 8.290 0.100 0.000 0.470 105 L N 3.591 125.034 121.223 0.366 0.000 2.334 105 L HA 0.837 5.541 4.340 0.310 -0.179 0.276 105 L C -1.500 175.599 176.870 0.381 0.000 1.014 105 L CA -1.414 53.634 54.840 0.347 0.000 0.815 105 L CB 3.725 45.919 42.059 0.225 0.000 1.268 105 L HN 0.827 9.307 8.230 0.416 0.000 0.428 106 I N 1.556 122.330 120.570 0.339 0.000 2.418 106 I HA 0.560 4.996 4.170 0.114 -0.198 0.287 106 I C -1.546 174.517 176.117 -0.090 0.000 1.008 106 I CA -1.456 59.923 61.300 0.132 0.000 1.104 106 I CB 3.077 41.118 38.000 0.068 0.000 1.264 106 I HN 0.910 9.342 8.210 0.370 0.000 0.438 107 K N 7.472 127.555 120.400 -0.529 0.000 2.201 107 K HA 0.585 4.169 4.320 -1.535 -0.184 0.278 107 K C -0.825 175.458 176.600 -0.528 0.000 1.027 107 K CA -1.549 54.071 56.287 -1.111 0.000 0.909 107 K CB 2.301 33.923 32.500 -1.462 0.000 1.062 107 K HN 0.506 8.441 8.250 -0.337 0.113 0.465 108 L N 6.129 127.087 121.223 -0.442 0.000 2.417 108 L HA -0.042 4.193 4.340 -0.175 0.000 0.268 108 L C 0.428 177.174 176.870 -0.206 0.000 1.158 108 L CA 0.543 55.244 54.840 -0.232 0.000 0.819 108 L CB 0.439 42.405 42.059 -0.154 0.000 1.112 108 L HN 0.646 8.442 8.230 -0.534 0.114 0.458 109 S N 2.067 117.690 115.700 -0.129 0.000 2.423 109 S HA -0.233 4.171 4.470 -0.110 0.000 0.231 109 S C -0.321 174.232 174.600 -0.078 0.000 1.014 109 S CA 2.681 60.823 58.200 -0.096 0.000 0.965 109 S CB 0.477 63.640 63.200 -0.062 0.000 0.785 109 S HN 0.617 8.865 8.310 -0.104 0.000 0.495 110 S N -0.897 114.762 115.700 -0.068 0.000 2.564 110 S HA 0.326 4.766 4.470 -0.051 0.000 0.274 110 S C -2.840 171.732 174.600 -0.048 0.000 1.124 110 S CA -1.992 56.178 58.200 -0.049 0.000 0.869 110 S CB 1.550 64.734 63.200 -0.027 0.000 1.105 110 S HN -0.565 7.660 8.310 -0.075 0.040 0.472 111 P HA -0.092 4.428 4.420 -0.032 -0.119 0.268 111 P C -1.097 176.201 177.300 -0.003 0.000 1.204 111 P CA -0.146 62.944 63.100 -0.018 0.000 0.768 111 P CB 0.421 32.122 31.700 0.001 0.000 0.842 112 A N 4.217 127.042 122.820 0.008 0.000 2.483 112 A HA -0.112 4.320 4.320 0.023 -0.098 0.238 112 A C 0.285 177.885 177.584 0.027 0.000 1.070 112 A CA 0.219 52.271 52.037 0.025 0.000 0.770 112 A CB 0.823 19.848 19.000 0.042 0.000 1.008 112 A HN 0.497 8.650 8.150 0.006 0.000 0.497 113 T N 4.406 118.975 114.554 0.025 0.000 2.728 113 T HA -0.002 4.361 4.350 0.022 0.000 0.296 113 T C -0.987 173.730 174.700 0.030 0.000 0.940 113 T CA 0.610 62.723 62.100 0.022 0.000 1.013 113 T CB 0.193 69.069 68.868 0.013 0.000 0.912 113 T HN 0.097 8.702 8.240 0.024 -0.351 0.484 114 L N 8.106 129.349 121.223 0.033 0.000 2.319 114 L HA 0.107 4.642 4.340 0.046 -0.168 0.280 114 L C -0.300 176.589 176.870 0.032 0.000 1.099 114 L CA -0.070 54.793 54.840 0.039 0.000 0.828 114 L CB 0.046 42.132 42.059 0.044 0.000 1.150 114 L HN 0.369 8.618 8.230 0.032 0.000 0.442 115 N N 4.425 123.145 118.700 0.034 0.000 3.439 115 N HA 0.164 4.918 4.740 0.025 0.000 0.313 115 N C -0.092 175.436 175.510 0.029 0.000 1.598 115 N CA -0.574 52.492 53.050 0.027 0.000 0.830 115 N CB 0.492 38.991 38.487 0.020 0.000 1.849 115 N HN 0.438 8.842 8.380 0.041 0.000 0.598 116 S N -1.297 114.416 115.700 0.022 0.000 2.419 116 S HA -0.254 4.231 4.470 0.025 0.000 0.233 116 S C 0.729 175.340 174.600 0.020 0.000 1.016 116 S CA 2.647 60.859 58.200 0.020 0.000 0.974 116 S CB -0.211 62.997 63.200 0.012 0.000 0.786 116 S HN 0.335 8.656 8.310 0.017 0.000 0.492 117 R N -1.215 119.297 120.500 0.020 0.000 2.290 117 R HA 0.119 4.463 4.340 0.007 0.000 0.197 117 R C -1.057 175.263 176.300 0.033 0.000 0.913 117 R CA 0.179 56.291 56.100 0.019 0.000 1.040 117 R CB 1.457 31.769 30.300 0.020 0.000 0.992 117 R HN -0.525 7.933 8.270 0.020 -0.176 0.500 118 V N -1.278 118.662 119.914 0.043 0.000 2.462 118 V HA 0.435 4.787 4.120 0.065 -0.193 0.288 118 V C -2.396 173.741 176.094 0.071 0.000 1.020 118 V CA -1.331 61.005 62.300 0.060 0.000 0.857 118 V CB 2.652 34.510 31.823 0.058 0.000 1.013 118 V HN -0.549 7.599 8.190 0.040 0.066 0.431 119 A N 6.770 129.649 122.820 0.098 0.000 2.572 119 A HA 0.587 4.962 4.320 0.091 0.000 0.295 119 A C -2.712 174.968 177.584 0.159 0.000 1.072 119 A CA -1.210 50.896 52.037 0.115 0.000 0.691 119 A CB 3.142 22.209 19.000 0.113 0.000 1.291 119 A HN 0.272 8.379 8.150 0.109 0.108 0.404 120 T N -2.153 112.478 114.554 0.128 0.000 2.882 120 T HA 0.382 5.010 4.350 0.148 -0.189 0.287 120 T C -0.361 174.401 174.700 0.104 0.000 1.014 120 T CA -1.261 60.912 62.100 0.122 0.000 1.049 120 T CB 1.112 70.029 68.868 0.081 0.000 1.001 120 T HN -0.112 8.188 8.240 0.099 0.000 0.525 121 V N 1.003 120.932 119.914 0.024 0.000 2.555 121 V HA 0.246 4.295 4.120 -0.118 0.000 0.302 121 V C -1.389 174.649 176.094 -0.094 0.000 1.038 121 V CA -1.979 60.233 62.300 -0.147 0.000 0.887 121 V CB 3.719 35.209 31.823 -0.554 0.000 0.991 121 V HN 0.213 8.433 8.190 0.051 0.000 0.434 122 S N 6.842 122.489 115.700 -0.088 0.000 2.560 122 S HA -0.023 4.431 4.470 -0.026 0.000 0.284 122 S C -0.340 174.228 174.600 -0.053 0.000 1.327 122 S CA 0.258 58.428 58.200 -0.050 0.000 1.055 122 S CB 0.669 63.844 63.200 -0.042 0.000 0.868 122 S HN 0.279 8.530 8.310 -0.099 0.000 0.506 123 L N 4.865 126.075 121.223 -0.022 0.000 2.475 123 L HA 0.065 4.402 4.340 -0.005 0.000 0.253 123 L C -1.573 175.293 176.870 -0.006 0.000 1.198 123 L CA -1.875 52.962 54.840 -0.005 0.000 0.814 123 L CB -0.382 41.685 42.059 0.014 0.000 1.134 123 L HN 0.260 8.482 8.230 -0.014 0.000 0.478 124 P HA 0.063 4.604 4.420 -0.010 -0.127 0.280 124 P C -0.979 176.324 177.300 0.005 0.000 1.244 124 P CA -0.661 62.440 63.100 0.003 0.000 0.784 124 P CB 0.514 32.222 31.700 0.013 0.000 0.913 128 c N 1.336 119.935 118.600 -0.001 0.000 2.649 128 c HA 0.029 4.602 4.570 0.005 0.000 0.377 128 c C 0.660 174.746 174.090 -0.007 0.000 1.321 128 c CA -0.236 56.093 56.329 -0.000 0.000 2.368 128 c CB 0.300 42.809 42.510 -0.001 0.000 2.597 128 c HN 0.030 8.258 8.230 -0.003 0.000 0.678 129 A N 1.010 123.824 122.820 -0.010 0.000 2.310 129 A HA 0.086 4.395 4.320 -0.018 0.000 0.299 129 A C -0.825 176.748 177.584 -0.019 0.000 1.147 129 A CA -0.540 51.486 52.037 -0.019 0.000 0.818 129 A CB 1.001 19.984 19.000 -0.029 0.000 1.096 129 A HN 0.223 8.368 8.150 -0.007 0.000 0.495 133 G N 2.003 110.772 108.800 -0.052 0.000 2.199 133 G HA2 -0.358 3.560 3.960 -0.071 0.000 0.254 133 G HA3 -0.358 3.578 3.960 -0.041 0.000 0.254 133 G C -0.053 174.815 174.900 -0.054 0.000 0.982 133 G CA -0.056 45.011 45.100 -0.055 0.000 0.632 133 G HN 0.725 8.870 8.290 -0.062 0.108 0.529 134 T N 3.608 118.131 114.554 -0.051 0.000 2.934 134 T HA -0.195 4.134 4.350 -0.035 0.000 0.306 134 T C -0.803 173.862 174.700 -0.058 0.000 1.042 134 T CA 2.146 64.219 62.100 -0.046 0.000 1.145 134 T CB 0.549 69.391 68.868 -0.044 0.000 0.982 134 T HN -0.483 7.657 8.240 -0.049 0.070 0.544 135 E N 5.584 125.759 120.200 -0.041 0.000 2.313 135 E HA 0.044 4.362 4.350 -0.053 0.000 0.276 135 E C -1.005 175.574 176.600 -0.035 0.000 1.031 135 E CA 0.133 56.512 56.400 -0.035 0.000 0.857 135 E CB 1.070 30.766 29.700 -0.006 0.000 1.040 135 E HN 0.166 8.509 8.360 -0.029 0.000 0.408 136 c N 1.657 120.230 118.600 -0.044 0.000 3.044 136 c HA 0.595 5.271 4.570 -0.032 -0.125 0.315 136 c C -1.607 172.478 174.090 -0.008 0.000 1.320 136 c CA -1.257 55.045 56.329 -0.045 0.000 1.582 136 c CB 4.295 46.741 42.510 -0.108 0.000 2.039 136 c HN 0.700 8.799 8.230 -0.048 0.102 0.466 137 L N 0.849 122.076 121.223 0.006 0.000 2.333 137 L HA 0.793 5.331 4.340 0.050 -0.168 0.280 137 L C -2.231 174.645 176.870 0.010 0.000 1.004 137 L CA -1.305 53.557 54.840 0.037 0.000 0.820 137 L CB 3.283 45.391 42.059 0.081 0.000 1.247 137 L HN 0.671 8.790 8.230 -0.004 0.108 0.416 138 I N 6.792 127.354 120.570 -0.013 0.000 2.493 138 I HA 0.902 5.304 4.170 -0.004 -0.235 0.298 138 I C -1.264 174.823 176.117 -0.049 0.000 0.998 138 I CA -1.718 59.571 61.300 -0.018 0.000 1.137 138 I CB 2.235 40.227 38.000 -0.013 0.000 1.310 138 I HN 0.962 9.170 8.210 -0.003 0.000 0.445 139 S N 2.292 117.961 115.700 -0.050 0.000 2.579 139 S HA 0.953 5.455 4.470 -0.213 -0.159 0.272 139 S C -1.245 173.252 174.600 -0.171 0.000 1.141 139 S CA -1.507 56.592 58.200 -0.168 0.000 0.843 139 S CB 3.663 66.729 63.200 -0.222 0.000 1.122 139 S HN -0.167 8.147 8.310 0.007 0.000 0.468 140 G N -0.776 107.828 108.800 -0.327 0.000 2.313 140 G HA2 0.201 3.942 3.960 -0.365 0.000 0.296 140 G HA3 0.201 4.273 3.960 -0.057 -0.145 0.296 140 G C -2.213 172.437 174.900 -0.417 0.000 1.356 140 G CA 0.633 45.554 45.100 -0.298 0.000 0.833 140 G HN 0.224 8.254 8.290 -0.434 0.000 0.552 141 W N 0.890 122.111 121.300 -0.131 0.000 3.067 141 W HA 0.332 4.884 4.660 -0.180 0.000 0.417 141 W C -0.110 176.365 176.519 -0.073 0.000 1.029 141 W CA -0.797 56.404 57.345 -0.240 0.000 1.992 141 W CB 0.377 29.464 29.460 -0.623 0.000 1.122 141 W HN 0.556 8.913 8.180 0.296 0.000 0.681 142 G N 0.820 109.722 108.800 0.171 0.000 2.653 142 G HA2 -0.100 4.115 3.960 0.369 0.000 0.265 142 G HA3 -0.100 4.204 3.960 0.139 -0.262 0.265 142 G C -0.848 173.973 174.900 -0.132 0.000 1.237 142 G CA -0.680 44.515 45.100 0.158 0.000 0.946 142 G HN -0.209 8.394 8.290 0.104 -0.250 0.522 143 N N -0.215 118.248 118.700 -0.394 0.000 2.356 143 N HA -0.330 3.984 4.740 -1.005 -0.176 0.252 143 N C 0.735 176.084 175.510 -0.268 0.000 1.241 143 N CA 0.941 53.624 53.050 -0.611 0.000 0.861 143 N CB 0.654 38.833 38.487 -0.514 0.000 1.075 143 N HN 0.100 8.345 8.380 -0.226 0.000 0.461 144 T N -1.411 113.005 114.554 -0.230 0.000 3.054 144 T HA 0.206 4.603 4.350 -0.104 -0.110 0.255 144 T C 0.069 174.715 174.700 -0.091 0.000 1.035 144 T CA 0.078 62.103 62.100 -0.125 0.000 0.941 144 T CB 1.180 69.990 68.868 -0.096 0.000 1.026 144 T HN 0.407 8.471 8.240 -0.292 0.000 0.533 145 K N 2.535 122.873 120.400 -0.103 0.000 2.221 145 K HA 0.268 4.561 4.320 -0.045 0.000 0.258 145 K C 0.241 176.811 176.600 -0.049 0.000 0.944 145 K CA -1.528 54.722 56.287 -0.061 0.000 0.823 145 K CB 1.566 34.034 32.500 -0.053 0.000 1.113 145 K HN -0.444 8.049 8.250 -0.155 -0.335 0.431 146 S N 2.062 117.746 115.700 -0.027 0.000 2.528 146 S HA -0.063 4.399 4.470 -0.013 0.000 0.219 146 S C -0.442 174.154 174.600 -0.007 0.000 0.985 146 S CA 0.897 59.089 58.200 -0.013 0.000 0.914 146 S CB 0.714 63.912 63.200 -0.003 0.000 0.776 146 S HN 0.225 8.521 8.310 -0.023 0.000 0.526 147 S N 0.701 116.396 115.700 -0.008 0.000 2.707 147 S HA 0.197 4.668 4.470 0.002 0.000 0.312 147 S C -0.159 174.440 174.600 -0.001 0.000 1.116 147 S CA 0.148 58.347 58.200 -0.001 0.000 1.078 147 S CB 0.869 64.071 63.200 0.003 0.000 0.997 147 S HN -0.633 7.620 8.310 -0.014 0.049 0.477 148 G N 5.609 114.412 108.800 0.005 0.000 2.527 148 G HA2 -0.209 3.765 3.960 0.023 0.000 0.227 148 G HA3 -0.209 3.760 3.960 0.015 0.000 0.227 148 G C -1.712 173.192 174.900 0.007 0.000 1.291 148 G CA -0.421 44.687 45.100 0.014 0.000 0.904 148 G HN 0.160 8.453 8.290 0.006 0.000 0.577 149 S N 0.240 115.953 115.700 0.022 0.000 2.547 149 S HA 0.080 4.702 4.470 -0.070 -0.194 0.281 149 S C -1.713 172.896 174.600 0.016 0.000 1.118 149 S CA -0.642 57.569 58.200 0.018 0.000 0.947 149 S CB 1.561 64.856 63.200 0.159 0.000 1.053 149 S HN 0.141 8.470 8.310 0.032 0.000 0.482 150 S N 4.999 120.642 115.700 -0.094 0.000 2.706 150 S HA 0.207 4.729 4.470 0.086 0.000 0.270 150 S C -2.137 172.366 174.600 -0.163 0.000 1.163 150 S CA -0.049 58.131 58.200 -0.032 0.000 1.042 150 S CB 1.333 64.515 63.200 -0.031 0.000 1.079 150 S HN 0.190 8.623 8.310 -0.275 -0.288 0.474 151 Y N 6.269 126.591 120.300 0.036 0.000 2.367 151 Y HA 0.183 4.766 4.550 0.055 0.000 0.342 151 Y C -1.301 174.620 175.900 0.036 0.000 0.979 151 Y CA -2.878 55.250 58.100 0.046 0.000 1.161 151 Y CB 0.714 39.208 38.460 0.057 0.000 1.155 151 Y HN 0.108 8.612 8.280 0.374 0.000 0.503 152 P HA 0.161 4.621 4.420 0.067 0.000 0.277 152 P C -0.609 176.776 177.300 0.143 0.000 1.240 152 P CA -0.947 62.211 63.100 0.098 0.000 0.798 152 P CB 1.268 32.994 31.700 0.043 0.000 0.979 153 S N -0.994 114.756 115.700 0.084 0.000 2.387 153 S HA -0.094 4.517 4.470 0.021 -0.128 0.226 153 S C -0.344 174.330 174.600 0.124 0.000 1.026 153 S CA 2.531 60.765 58.200 0.056 0.000 0.972 153 S CB 0.720 63.926 63.200 0.010 0.000 0.814 153 S HN 0.344 8.686 8.310 0.053 0.000 0.477 154 L N -0.824 120.424 121.223 0.042 0.000 2.309 154 L HA 0.392 4.719 4.340 -0.335 -0.188 0.282 154 L C -0.167 176.577 176.870 -0.209 0.000 1.036 154 L CA -1.449 53.278 54.840 -0.189 0.000 0.806 154 L CB 1.723 43.630 42.059 -0.253 0.000 1.220 154 L HN -0.705 7.535 8.230 0.016 0.000 0.429 155 L N 3.818 124.796 121.223 -0.409 0.000 2.540 155 L HA -0.142 3.217 4.340 -1.635 0.000 0.276 155 L C -1.117 175.474 176.870 -0.466 0.000 1.212 155 L CA 0.809 55.144 54.840 -0.843 0.000 0.893 155 L CB 0.650 42.285 42.059 -0.707 0.000 1.138 155 L HN -0.201 7.783 8.230 -0.410 0.000 0.491 156 Q N 5.306 124.800 119.800 -0.509 0.000 2.226 156 Q HA 0.483 4.756 4.340 -0.337 -0.136 0.256 156 Q C -1.032 174.708 176.000 -0.433 0.000 0.962 156 Q CA -1.788 53.786 55.803 -0.381 0.000 0.887 156 Q CB 2.633 31.202 28.738 -0.281 0.000 1.282 156 Q HN -0.013 7.866 8.270 -0.652 0.000 0.449 157 c N 0.102 118.357 118.600 -0.576 0.000 2.707 157 c HA 0.915 5.419 4.570 -0.392 -0.169 0.313 157 c C -1.817 171.904 174.090 -0.615 0.000 1.209 157 c CA -0.693 55.249 56.329 -0.646 0.000 1.635 157 c CB 3.844 45.791 42.510 -0.938 0.000 2.206 157 c HN 0.827 8.641 8.230 -0.693 0.000 0.485 158 L N 0.685 121.765 121.223 -0.240 0.000 2.505 158 L HA 0.387 4.769 4.340 0.071 0.000 0.266 158 L C -2.472 174.472 176.870 0.123 0.000 0.954 158 L CA 0.079 54.920 54.840 0.002 0.000 0.852 158 L CB 4.322 46.400 42.059 0.032 0.000 1.282 158 L HN 0.556 8.685 8.230 -0.169 0.000 0.403 159 K N 6.644 127.191 120.400 0.245 0.000 2.234 159 K HA 0.713 5.321 4.320 0.145 -0.202 0.282 159 K C -0.943 175.821 176.600 0.273 0.000 1.039 159 K CA -1.165 55.249 56.287 0.212 0.000 0.928 159 K CB 0.355 32.981 32.500 0.210 0.000 1.039 159 K HN 0.244 8.689 8.250 0.326 0.000 0.470 160 A N 3.073 125.963 122.820 0.118 0.000 2.589 160 A HA 0.493 4.767 4.320 -0.077 0.000 0.296 160 A C -3.482 173.983 177.584 -0.199 0.000 1.062 160 A CA -1.835 50.169 52.037 -0.056 0.000 0.686 160 A CB 2.689 21.663 19.000 -0.044 0.000 1.282 160 A HN 0.611 8.790 8.150 0.049 0.000 0.404 161 P HA 0.587 5.120 4.420 -0.157 -0.207 0.287 161 P C -0.870 176.292 177.300 -0.230 0.000 1.270 161 P CA -1.601 61.356 63.100 -0.239 0.000 0.844 161 P CB 1.311 32.871 31.700 -0.233 0.000 1.068 162 V N 1.486 121.307 119.914 -0.156 0.000 2.540 162 V HA -0.175 3.987 4.120 -0.134 -0.123 0.297 162 V C 0.397 176.428 176.094 -0.105 0.000 1.024 162 V CA 1.536 63.763 62.300 -0.122 0.000 1.105 162 V CB -0.905 30.867 31.823 -0.085 0.000 0.938 162 V HN 0.273 8.386 8.190 -0.128 0.000 0.482 163 L N 7.893 129.063 121.223 -0.088 0.000 2.421 163 L HA 0.129 4.419 4.340 -0.084 0.000 0.263 163 L C -0.224 176.625 176.870 -0.036 0.000 1.122 163 L CA -0.745 54.055 54.840 -0.067 0.000 0.804 163 L CB 0.469 42.498 42.059 -0.050 0.000 1.150 163 L HN 0.381 8.562 8.230 -0.082 0.000 0.457 164 S N -0.450 115.234 115.700 -0.027 0.000 2.563 164 S HA -0.211 4.250 4.470 -0.014 0.000 0.284 164 S C 0.401 175.002 174.600 0.001 0.000 1.331 164 S CA 0.046 58.239 58.200 -0.012 0.000 1.047 164 S CB 1.073 64.267 63.200 -0.010 0.000 0.859 164 S HN 0.238 8.529 8.310 -0.033 0.000 0.514 165 D N 2.349 122.753 120.400 0.007 0.000 2.178 165 D HA -0.276 4.379 4.640 0.026 0.000 0.201 165 D C 1.827 178.142 176.300 0.025 0.000 0.980 165 D CA 3.633 57.645 54.000 0.020 0.000 0.842 165 D CB -0.184 40.627 40.800 0.018 0.000 0.948 165 D HN 0.529 8.900 8.370 0.002 0.000 0.472 166 S N -1.098 114.611 115.700 0.016 0.000 2.351 166 S HA -0.322 4.159 4.470 0.019 0.000 0.220 166 S C 2.043 176.653 174.600 0.015 0.000 1.035 166 S CA 3.928 62.137 58.200 0.015 0.000 1.031 166 S CB -0.363 62.841 63.200 0.007 0.000 0.928 166 S HN 0.021 8.326 8.310 0.010 0.011 0.433 167 S N 4.098 119.803 115.700 0.009 0.000 2.382 167 S HA -0.237 4.231 4.470 -0.002 0.000 0.228 167 S C 2.160 176.771 174.600 0.019 0.000 1.027 167 S CA 3.696 61.898 58.200 0.004 0.000 0.991 167 S CB -0.340 62.857 63.200 -0.005 0.000 0.823 167 S HN -0.198 8.115 8.310 0.005 0.000 0.469 168 c N 2.709 121.333 118.600 0.042 0.000 2.489 168 c HA -0.249 4.387 4.570 0.109 0.000 0.279 168 c C 1.865 176.035 174.090 0.134 0.000 1.266 168 c CA 2.608 58.992 56.329 0.091 0.000 1.707 168 c CB -1.646 40.907 42.510 0.071 0.000 2.059 168 c HN 0.140 8.371 8.230 0.031 0.018 0.481 169 K N -0.512 119.946 120.400 0.096 0.000 2.148 169 K HA -0.347 4.066 4.320 0.155 0.000 0.204 169 K C 2.163 178.810 176.600 0.078 0.000 1.050 169 K CA 3.063 59.414 56.287 0.106 0.000 0.942 169 K CB 0.064 32.606 32.500 0.072 0.000 0.724 169 K HN 0.020 8.310 8.250 0.068 0.000 0.446 170 S N -1.410 114.312 115.700 0.035 0.000 2.402 170 S HA -0.224 4.250 4.470 0.006 0.000 0.229 170 S C 1.637 176.210 174.600 -0.044 0.000 1.021 170 S CA 2.714 60.914 58.200 -0.000 0.000 0.974 170 S CB -0.313 62.881 63.200 -0.011 0.000 0.800 170 S HN 0.062 8.391 8.310 0.032 0.000 0.484 171 S N 0.719 116.371 115.700 -0.080 0.000 2.406 171 S HA -0.065 4.241 4.470 -0.274 0.000 0.228 171 S C -0.727 173.601 174.600 -0.454 0.000 1.020 171 S CA 3.419 61.440 58.200 -0.299 0.000 0.965 171 S CB 1.087 64.063 63.200 -0.374 0.000 0.798 171 S HN -0.819 7.376 8.310 -0.021 0.102 0.488 172 Y N -2.423 117.905 120.300 0.046 0.000 2.511 172 Y HA 0.565 5.167 4.550 0.088 0.000 0.356 172 Y C -2.740 173.213 175.900 0.089 0.000 1.002 172 Y CA -2.651 55.511 58.100 0.104 0.000 1.127 172 Y CB 0.168 38.759 38.460 0.218 0.000 1.137 172 Y HN -0.743 7.507 8.280 0.150 0.120 0.652 173 P HA -0.110 4.489 4.420 0.088 -0.126 0.261 173 P C 0.821 178.181 177.300 0.100 0.000 1.183 173 P CA 1.111 64.267 63.100 0.093 0.000 0.761 173 P CB 0.040 31.764 31.700 0.041 0.000 0.785 174 G N 4.067 112.919 108.800 0.086 0.000 2.184 174 G HA2 -0.370 3.620 3.960 0.050 0.000 0.264 174 G HA3 -0.370 3.617 3.960 0.045 0.000 0.264 174 G C 0.198 175.142 174.900 0.074 0.000 0.975 174 G CA 0.635 45.773 45.100 0.063 0.000 0.642 174 G HN 0.524 8.864 8.290 0.082 0.000 0.536 175 Q N -1.967 117.916 119.800 0.139 0.000 2.246 175 Q HA 0.107 4.475 4.340 0.046 0.000 0.222 175 Q C -0.494 175.640 176.000 0.224 0.000 0.851 175 Q CA -0.269 55.622 55.803 0.146 0.000 0.945 175 Q CB 1.604 30.473 28.738 0.220 0.000 1.122 175 Q HN -0.219 8.098 8.270 0.187 0.065 0.508 176 I N 0.856 121.553 120.570 0.212 0.000 2.304 176 I HA 0.158 4.487 4.170 0.266 0.000 0.291 176 I C -0.600 175.592 176.117 0.125 0.000 1.018 176 I CA -2.481 58.937 61.300 0.196 0.000 1.260 176 I CB -1.277 36.817 38.000 0.157 0.000 1.390 176 I HN -0.412 7.912 8.210 0.190 0.000 0.475 177 T N 2.528 117.154 114.554 0.120 0.000 2.849 177 T HA 0.227 4.610 4.350 0.055 0.000 0.276 177 T C 1.560 176.299 174.700 0.064 0.000 0.971 177 T CA -1.670 60.474 62.100 0.074 0.000 0.949 177 T CB 2.214 71.119 68.868 0.061 0.000 1.093 177 T HN -0.577 7.760 8.240 0.163 0.000 0.545 178 G N -1.075 107.747 108.800 0.037 0.000 2.625 178 G HA2 -0.120 3.855 3.960 0.026 0.000 0.214 178 G HA3 -0.120 3.841 3.960 0.002 0.000 0.214 178 G C 0.082 174.998 174.900 0.026 0.000 1.132 178 G CA 0.941 46.054 45.100 0.021 0.000 0.782 178 G HN 0.506 8.812 8.290 0.025 0.000 0.538 179 N N -0.310 118.424 118.700 0.058 0.000 2.279 179 N HA 0.104 4.893 4.740 0.081 0.000 0.226 179 N C -1.464 174.146 175.510 0.167 0.000 1.126 179 N CA -0.275 52.844 53.050 0.115 0.000 0.846 179 N CB 0.556 39.141 38.487 0.164 0.000 1.050 179 N HN -0.545 7.824 8.380 0.061 0.048 0.502 180 M N -1.215 118.459 119.600 0.124 0.000 2.446 180 M HA 0.756 5.521 4.480 0.129 -0.208 0.294 180 M C -2.017 174.329 176.300 0.077 0.000 1.158 180 M CA -0.350 55.018 55.300 0.113 0.000 0.899 180 M CB 4.907 37.584 32.600 0.128 0.000 1.687 180 M HN -0.780 7.487 8.290 0.095 0.080 0.455 181 I N -6.714 113.901 120.570 0.075 0.000 2.785 181 I HA 0.610 4.806 4.170 0.044 0.000 0.302 181 I C -2.341 173.823 176.117 0.078 0.000 1.069 181 I CA -2.669 58.669 61.300 0.063 0.000 1.045 181 I CB 3.935 41.968 38.000 0.054 0.000 1.236 181 I HN 0.469 8.732 8.210 0.087 0.000 0.429 182 c N 2.464 121.098 118.600 0.057 0.000 2.358 182 c HA 0.813 5.665 4.570 0.132 -0.202 0.342 182 c C -0.541 173.584 174.090 0.059 0.000 1.234 182 c CA -0.966 55.415 56.329 0.087 0.000 1.969 182 c CB 1.073 43.618 42.510 0.059 0.000 2.346 182 c HN 0.765 9.016 8.230 0.035 0.000 0.525 183 V N 3.340 123.314 119.914 0.099 0.000 2.443 183 V HA 0.502 4.704 4.120 -0.150 -0.172 0.272 183 V C -1.947 174.120 176.094 -0.045 0.000 1.002 183 V CA -0.904 61.328 62.300 -0.114 0.000 0.840 183 V CB 0.559 32.117 31.823 -0.441 0.000 1.042 183 V HN 0.180 8.556 8.190 0.309 0.000 0.446 184 F N 4.360 124.335 119.950 0.042 0.000 2.449 184 F HA 0.372 4.912 4.527 0.021 0.000 0.342 184 F C 0.498 176.313 175.800 0.025 0.000 1.127 184 F CA -1.010 57.007 58.000 0.028 0.000 0.975 184 F CB 1.955 40.971 39.000 0.026 0.000 1.146 184 F HN 0.220 8.684 8.300 0.273 0.000 0.444 185 L N 3.586 124.904 121.223 0.158 0.000 2.376 185 L HA -0.254 4.128 4.340 0.070 0.000 0.219 185 L C 0.947 177.870 176.870 0.089 0.000 1.133 185 L CA 2.264 57.157 54.840 0.088 0.000 0.816 185 L CB -0.453 41.631 42.059 0.041 0.000 0.933 185 L HN 0.559 8.862 8.230 0.122 0.000 0.449 186 E N -2.390 117.882 120.200 0.120 0.000 2.482 186 E HA -0.095 4.287 4.350 0.053 0.000 0.196 186 E C 0.062 176.700 176.600 0.062 0.000 1.047 186 E CA 0.296 56.742 56.400 0.077 0.000 0.869 186 E CB -0.535 29.209 29.700 0.073 0.000 0.836 186 E HN 0.135 8.567 8.360 0.178 0.035 0.520 187 G N -0.758 108.097 108.800 0.091 0.000 3.429 187 G HA2 -0.412 3.635 3.960 0.094 0.000 0.605 187 G HA3 -0.412 3.603 3.960 0.052 -0.024 0.605 187 G C -0.868 174.049 174.900 0.029 0.000 0.973 187 G CA 0.066 45.208 45.100 0.070 0.000 0.774 187 G HN -0.665 7.662 8.290 0.143 0.049 0.422 188 K N 0.760 121.161 120.400 0.001 0.000 5.472 188 K HA -0.571 3.993 4.320 -0.000 -0.245 0.892 188 K C -1.684 175.023 176.600 0.178 0.000 1.918 188 K CA 0.132 56.434 56.287 0.025 0.000 1.518 188 K CB 0.070 32.456 32.500 -0.189 0.000 2.620 188 K HN 0.330 8.616 8.250 0.059 0.000 0.228 189 D N 1.721 122.200 120.400 0.131 0.000 2.671 189 D HA 0.283 5.055 4.640 0.219 0.000 0.273 189 D C -1.837 174.535 176.300 0.120 0.000 1.264 189 D CA -0.735 53.360 54.000 0.159 0.000 0.788 189 D CB 4.135 45.015 40.800 0.134 0.000 1.324 189 D HN 0.269 8.686 8.370 0.078 0.000 0.424 190 S N -0.643 115.150 115.700 0.154 0.000 2.632 190 S HA 0.179 4.806 4.470 0.085 -0.106 0.267 190 S C -1.116 173.527 174.600 0.072 0.000 1.276 190 S CA -0.059 58.212 58.200 0.118 0.000 0.998 190 S CB 0.863 64.177 63.200 0.188 0.000 0.953 190 S HN 0.153 8.591 8.310 0.213 0.000 0.547 191 c N -0.024 118.614 118.600 0.063 0.000 3.335 191 c HA 0.229 4.829 4.570 0.051 0.000 0.340 191 c C -1.147 173.003 174.090 0.099 0.000 1.495 191 c CA -0.790 55.570 56.329 0.052 0.000 1.363 191 c CB 3.166 45.677 42.510 0.003 0.000 1.840 191 c HN 0.427 8.991 8.230 0.077 -0.288 0.443 192 Q N 1.386 121.254 119.800 0.114 0.000 2.283 192 Q HA -0.210 4.258 4.340 0.214 0.000 0.301 192 Q C 1.307 177.482 176.000 0.292 0.000 1.063 192 Q CA 2.541 58.466 55.803 0.203 0.000 0.952 192 Q CB -0.141 28.727 28.738 0.217 0.000 1.166 192 Q HN 0.602 8.918 8.270 0.077 0.000 0.381 193 G N 4.640 113.642 108.800 0.338 0.000 2.258 193 G HA2 -0.471 3.874 3.960 0.370 0.000 0.233 193 G HA3 -0.471 3.852 3.960 0.605 0.000 0.233 193 G C 0.741 175.878 174.900 0.396 0.000 1.006 193 G CA 1.117 46.477 45.100 0.433 0.000 0.620 193 G HN 0.784 9.249 8.290 0.291 0.000 0.511 194 D N 2.005 122.562 120.400 0.260 0.000 2.333 194 D HA 0.021 4.801 4.640 0.232 0.000 0.208 194 D C 0.016 176.424 176.300 0.180 0.000 0.984 194 D CA 1.309 55.432 54.000 0.206 0.000 0.873 194 D CB 0.308 41.192 40.800 0.140 0.000 0.935 194 D HN 0.176 8.595 8.370 0.222 0.083 0.521 195 S N -0.641 115.167 115.700 0.181 0.000 2.599 195 S HA -0.377 4.337 4.470 0.197 -0.126 0.303 195 S C 1.105 175.733 174.600 0.046 0.000 1.267 195 S CA 2.539 60.829 58.200 0.149 0.000 1.055 195 S CB -0.329 62.956 63.200 0.141 0.000 0.790 195 S HN -0.342 8.053 8.310 0.212 0.043 0.500 196 G N 4.595 113.422 108.800 0.044 0.000 2.234 196 G HA2 -0.450 3.585 3.960 0.018 0.000 0.260 196 G HA3 -0.450 3.582 3.960 -0.039 -0.095 0.260 196 G C -0.310 174.638 174.900 0.080 0.000 0.987 196 G CA 0.440 45.551 45.100 0.019 0.000 0.625 196 G HN 0.757 8.994 8.290 0.104 0.114 0.532 197 G N 0.601 109.472 108.800 0.119 0.000 2.588 197 G HA2 0.400 4.515 3.960 0.139 0.000 0.281 197 G HA3 0.400 4.444 3.960 0.140 0.000 0.281 197 G C -2.727 172.268 174.900 0.158 0.000 1.236 197 G CA -2.150 43.035 45.100 0.141 0.000 0.969 197 G HN -0.351 7.931 8.290 0.128 0.085 0.504 198 P HA 0.307 4.802 4.420 0.125 0.000 0.282 198 P C -1.476 175.881 177.300 0.095 0.000 1.249 198 P CA -0.718 62.474 63.100 0.153 0.000 0.806 198 P CB 1.799 33.668 31.700 0.281 0.000 0.984 199 V N 1.505 121.431 119.914 0.020 0.000 2.349 199 V HA 0.358 4.607 4.120 -0.077 -0.176 0.284 199 V C -1.299 174.752 176.094 -0.071 0.000 1.014 199 V CA -0.976 61.273 62.300 -0.084 0.000 0.826 199 V CB 1.401 33.067 31.823 -0.262 0.000 1.009 199 V HN -0.122 8.085 8.190 0.028 0.000 0.431 200 V N 7.339 127.224 119.914 -0.048 0.000 2.417 200 V HA 0.534 4.785 4.120 -0.113 -0.199 0.291 200 V C -1.147 174.916 176.094 -0.053 0.000 1.024 200 V CA -1.644 60.608 62.300 -0.081 0.000 0.861 200 V CB 2.488 34.240 31.823 -0.118 0.000 0.985 200 V HN 0.536 8.725 8.190 -0.003 0.000 0.436 201 c N 6.913 125.476 118.600 -0.062 0.000 2.431 201 c HA 0.594 5.253 4.570 -0.034 -0.109 0.321 201 c C 0.248 174.316 174.090 -0.037 0.000 1.202 201 c CA -1.463 54.838 56.329 -0.045 0.000 1.398 201 c CB 2.136 44.613 42.510 -0.056 0.000 2.047 201 c HN 1.006 9.191 8.230 -0.074 0.000 0.465 202 N N 5.135 123.822 118.700 -0.023 0.000 2.707 202 N HA -0.389 4.346 4.740 -0.009 0.000 0.253 202 N C -0.603 174.893 175.510 -0.025 0.000 0.998 202 N CA 1.078 54.118 53.050 -0.018 0.000 0.751 202 N CB -1.777 36.699 38.487 -0.018 0.000 0.920 202 N HN 0.971 9.342 8.380 -0.015 0.000 0.539 203 G N -8.514 100.267 108.800 -0.031 0.000 2.148 203 G HA2 -0.475 3.456 3.960 -0.048 0.000 0.254 203 G HA3 -0.475 3.467 3.960 -0.029 0.000 0.254 203 G C -1.932 172.919 174.900 -0.082 0.000 0.981 203 G CA 0.314 45.386 45.100 -0.047 0.000 0.670 203 G HN 0.249 8.524 8.290 -0.023 0.002 0.528 210 Q N 0.677 120.459 119.800 -0.031 0.000 2.378 210 Q HA 0.188 4.539 4.340 0.018 0.000 0.216 210 Q C -0.258 175.755 176.000 0.022 0.000 0.892 210 Q CA 0.073 55.873 55.803 -0.005 0.000 0.931 210 Q CB 2.437 31.157 28.738 -0.030 0.000 1.086 210 Q HN 0.296 8.531 8.270 -0.058 0.000 0.528 211 G N -2.430 106.378 108.800 0.013 0.000 2.612 211 G HA2 0.589 4.883 3.960 0.125 0.000 0.298 211 G HA3 0.589 4.551 3.960 0.003 0.000 0.298 211 G C -3.293 171.687 174.900 0.134 0.000 1.336 211 G CA -0.664 44.480 45.100 0.074 0.000 0.953 211 G HN -0.401 7.880 8.290 -0.015 0.000 0.482 212 I N 0.156 120.857 120.570 0.217 0.000 2.436 212 I HA 0.583 5.069 4.170 0.192 -0.201 0.289 212 I C -0.192 176.107 176.117 0.304 0.000 1.010 212 I CA -1.650 59.776 61.300 0.210 0.000 1.098 212 I CB 3.837 41.906 38.000 0.115 0.000 1.266 212 I HN -0.302 8.132 8.210 0.248 -0.075 0.434 213 V N 7.464 127.561 119.914 0.304 0.000 2.475 213 V HA -0.244 3.858 4.120 -0.030 0.000 0.292 213 V C -0.840 175.305 176.094 0.085 0.000 1.003 213 V CA 2.022 64.416 62.300 0.158 0.000 1.120 213 V CB -1.836 30.104 31.823 0.195 0.000 0.937 213 V HN 0.484 8.833 8.190 0.266 0.000 0.476 214 S N 8.828 124.476 115.700 -0.087 0.000 3.334 214 S HA 0.428 5.225 4.470 0.376 -0.101 0.224 214 S C -1.393 173.283 174.600 0.127 0.000 0.959 214 S CA 0.491 58.775 58.200 0.140 0.000 0.815 214 S CB 2.674 65.962 63.200 0.146 0.000 0.861 214 S HN 0.004 8.028 8.310 -0.477 0.000 0.596 215 W N -3.525 117.627 121.300 -0.247 0.000 2.923 215 W HA 0.282 4.812 4.660 -0.216 0.000 0.373 215 W C -2.933 173.446 176.519 -0.234 0.000 1.205 215 W CA -0.952 56.250 57.345 -0.238 0.000 1.180 215 W CB 1.925 31.243 29.460 -0.238 0.000 1.477 215 W HN 0.167 8.058 8.180 -0.483 0.000 0.581 216 G N -3.434 105.475 108.800 0.183 0.000 2.342 216 G HA2 0.082 3.835 3.960 -0.344 0.000 0.297 216 G HA3 0.082 4.045 3.960 0.005 0.000 0.297 216 G C -2.708 172.437 174.900 0.410 0.000 1.313 216 G CA 0.187 45.332 45.100 0.076 0.000 0.830 216 G HN -0.037 8.516 8.290 0.438 0.000 0.506 220 c N 2.074 120.691 118.600 0.029 0.000 3.493 220 c HA 0.265 5.007 4.570 0.079 -0.125 0.228 220 c C -1.551 172.575 174.090 0.061 0.000 1.227 220 c CA -1.474 54.888 56.329 0.055 0.000 1.291 220 c CB -0.921 41.608 42.510 0.033 0.000 1.820 220 c HN 0.116 8.354 8.230 0.014 0.000 0.547 221 Q N -0.793 119.063 119.800 0.093 0.000 2.938 221 Q HA 0.052 4.436 4.340 0.073 0.000 0.230 221 Q C -1.491 174.557 176.000 0.080 0.000 1.008 221 Q CA -0.247 55.612 55.803 0.093 0.000 0.925 221 Q CB 3.003 31.826 28.738 0.141 0.000 2.116 221 Q HN 0.326 8.663 8.270 0.111 0.000 0.515 222 K N 4.132 124.567 120.400 0.058 0.000 2.524 222 K HA -0.362 4.117 4.320 0.046 -0.132 0.279 222 K C -0.020 176.589 176.600 0.014 0.000 0.993 222 K CA 1.088 57.398 56.287 0.038 0.000 1.030 222 K CB -0.072 32.444 32.500 0.027 0.000 0.891 222 K HN 0.381 8.664 8.250 0.055 0.000 0.488 223 N N 1.201 119.899 118.700 -0.004 0.000 2.708 223 N HA -0.478 4.234 4.740 -0.047 0.000 0.251 223 N C -2.092 173.329 175.510 -0.149 0.000 1.123 223 N CA 2.071 55.084 53.050 -0.063 0.000 0.739 223 N CB -0.657 37.784 38.487 -0.077 0.000 1.113 223 N HN 0.859 9.138 8.380 0.020 0.113 0.561 224 K N -3.330 117.030 120.400 -0.067 0.000 2.954 224 K HA 0.526 4.598 4.320 -0.414 0.000 0.171 224 K C -2.548 174.133 176.600 0.134 0.000 1.079 224 K CA -3.507 52.743 56.287 -0.062 0.000 0.908 224 K CB -0.122 32.443 32.500 0.108 0.000 1.142 224 K HN -0.749 7.461 8.250 0.011 0.046 0.613 225 P HA -0.004 4.508 4.420 0.152 0.000 0.272 225 P C 0.193 177.591 177.300 0.163 0.000 1.230 225 P CA -0.485 62.711 63.100 0.160 0.000 0.788 225 P CB 0.833 32.604 31.700 0.119 0.000 0.949 226 G N -0.856 108.015 108.800 0.118 0.000 2.414 226 G HA2 -0.036 3.806 3.960 -0.197 0.000 0.236 226 G HA3 -0.036 4.030 3.960 0.039 -0.082 0.236 226 G C -1.348 173.395 174.900 -0.262 0.000 1.293 226 G CA 0.114 45.170 45.100 -0.073 0.000 0.869 226 G HN 0.157 8.601 8.290 0.180 -0.046 0.556 227 V N 4.165 123.601 119.914 -0.797 0.000 2.483 227 V HA 0.609 4.641 4.120 -0.423 -0.167 0.295 227 V C -0.882 174.647 176.094 -0.942 0.000 1.035 227 V CA -1.015 60.751 62.300 -0.890 0.000 0.896 227 V CB 1.868 32.639 31.823 -1.752 0.000 0.986 227 V HN 0.415 8.079 8.190 -0.878 0.000 0.447 228 Y N 4.765 124.932 120.300 -0.223 0.000 2.477 228 Y HA 0.544 5.222 4.550 -0.039 -0.151 0.347 228 Y C 0.102 175.999 175.900 -0.004 0.000 0.981 228 Y CA -1.976 56.081 58.100 -0.071 0.000 1.033 228 Y CB 4.316 42.749 38.460 -0.046 0.000 1.245 228 Y HN 0.985 9.237 8.280 -0.046 0.000 0.455 229 T N 5.438 120.090 114.554 0.164 0.000 2.888 229 T HA -0.071 4.517 4.350 0.160 -0.142 0.301 229 T C -0.513 174.297 174.700 0.184 0.000 1.001 229 T CA 1.683 63.871 62.100 0.146 0.000 1.147 229 T CB 0.328 69.224 68.868 0.046 0.000 0.931 229 T HN 0.419 8.754 8.240 0.159 0.000 0.541 230 K N 8.113 128.654 120.400 0.235 0.000 2.183 230 K HA 0.162 4.690 4.320 0.152 -0.117 0.272 230 K C 0.771 177.550 176.600 0.298 0.000 1.113 230 K CA -0.725 55.686 56.287 0.206 0.000 0.949 230 K CB -0.264 32.327 32.500 0.151 0.000 1.365 230 K HN 0.218 8.520 8.250 0.262 0.106 0.420 231 V N 6.379 126.434 119.914 0.234 0.000 2.594 231 V HA -0.458 3.912 4.120 0.418 0.000 0.253 231 V C 1.238 177.478 176.094 0.243 0.000 1.069 231 V CA 3.504 65.971 62.300 0.279 0.000 1.082 231 V CB -0.276 31.638 31.823 0.152 0.000 0.680 231 V HN 0.361 8.650 8.190 0.164 0.000 0.469 232 c N -4.026 114.654 118.600 0.133 0.000 2.430 232 c HA -0.149 4.464 4.570 0.071 0.000 0.288 232 c C 1.008 175.111 174.090 0.023 0.000 1.448 232 c CA 0.794 57.164 56.329 0.069 0.000 1.784 232 c CB -2.452 40.078 42.510 0.032 0.000 1.776 232 c HN 0.545 8.821 8.230 0.113 0.022 0.547 233 N N 0.671 119.352 118.700 -0.032 0.000 2.412 233 N HA -0.011 4.623 4.740 -0.178 0.000 0.184 233 N C 0.148 175.422 175.510 -0.394 0.000 1.101 233 N CA 0.862 53.747 53.050 -0.275 0.000 0.881 233 N CB 0.053 38.231 38.487 -0.515 0.000 0.969 233 N HN -0.238 8.141 8.380 0.057 0.035 0.459 234 Y N -3.207 117.157 120.300 0.106 0.000 2.557 234 Y HA 0.119 4.814 4.550 0.241 0.000 0.247 234 Y C 0.659 176.687 175.900 0.213 0.000 1.164 234 Y CA -0.179 58.044 58.100 0.205 0.000 1.218 234 Y CB 0.311 38.912 38.460 0.235 0.000 1.210 234 Y HN -0.185 8.061 8.280 0.235 0.175 0.529 235 V N 1.802 121.843 119.914 0.211 0.000 2.407 235 V HA -0.601 3.602 4.120 0.138 0.000 0.248 235 V C 1.410 177.565 176.094 0.102 0.000 1.055 235 V CA 5.042 67.421 62.300 0.132 0.000 1.049 235 V CB -0.417 31.448 31.823 0.070 0.000 0.662 235 V HN -0.071 8.204 8.190 0.142 0.000 0.455 236 N N -0.580 118.186 118.700 0.111 0.000 2.142 236 N HA -0.277 4.481 4.740 0.030 0.000 0.186 236 N C 1.490 177.069 175.510 0.114 0.000 1.023 236 N CA 3.047 56.146 53.050 0.083 0.000 0.852 236 N CB -0.823 37.711 38.487 0.079 0.000 0.998 236 N HN -0.010 8.433 8.380 0.106 0.000 0.424 237 W N 1.227 122.570 121.300 0.072 0.000 2.358 237 W HA -0.199 4.486 4.660 0.041 0.000 0.303 237 W C 1.475 178.003 176.519 0.016 0.000 1.208 237 W CA 3.563 60.960 57.345 0.086 0.000 1.274 237 W CB -0.048 29.565 29.460 0.254 0.000 1.138 237 W HN -0.299 8.136 8.180 0.424 0.000 0.515 238 I N -0.991 119.548 120.570 -0.053 0.000 2.142 238 I HA -0.720 3.044 4.170 -0.676 0.000 0.240 238 I C 1.941 177.810 176.117 -0.413 0.000 1.078 238 I CA 4.179 65.286 61.300 -0.321 0.000 1.343 238 I CB -0.331 37.636 38.000 -0.054 0.000 1.046 238 I HN 0.264 8.633 8.210 0.265 0.000 0.405 239 Q N -0.856 118.805 119.800 -0.232 0.000 2.084 239 Q HA -0.387 3.798 4.340 -0.260 0.000 0.202 239 Q C 2.393 178.231 176.000 -0.270 0.000 0.978 239 Q CA 2.989 58.657 55.803 -0.224 0.000 0.844 239 Q CB -0.618 28.051 28.738 -0.115 0.000 0.898 239 Q HN -0.046 8.155 8.270 -0.115 0.000 0.426 240 Q N -1.267 118.382 119.800 -0.252 0.000 2.124 240 Q HA -0.319 3.919 4.340 -0.169 0.000 0.202 240 Q C 2.803 178.593 176.000 -0.349 0.000 0.977 240 Q CA 3.318 58.979 55.803 -0.237 0.000 0.850 240 Q CB -0.056 28.588 28.738 -0.157 0.000 0.901 240 Q HN 0.281 8.429 8.270 -0.204 0.000 0.429 241 T N 1.273 115.476 114.554 -0.586 0.000 2.812 241 T HA -0.287 3.787 4.350 -0.461 0.000 0.264 241 T C 1.391 175.689 174.700 -0.671 0.000 1.042 241 T CA 4.430 66.132 62.100 -0.663 0.000 1.140 241 T CB -0.040 68.192 68.868 -1.059 0.000 0.870 241 T HN -0.264 7.550 8.240 -0.709 0.000 0.445 242 I N -0.700 119.360 120.570 -0.850 0.000 2.142 242 I HA -0.367 2.950 4.170 -1.423 0.000 0.240 242 I C 1.930 177.851 176.117 -0.327 0.000 1.078 242 I CA 3.290 64.055 61.300 -0.893 0.000 1.343 242 I CB 0.236 37.724 38.000 -0.853 0.000 1.046 242 I HN -0.336 7.392 8.210 -0.804 0.000 0.405 243 A N -0.649 122.023 122.820 -0.246 0.000 2.019 243 A HA -0.221 4.057 4.320 -0.071 0.000 0.219 243 A C 0.893 178.436 177.584 -0.068 0.000 1.164 243 A CA 2.661 54.629 52.037 -0.114 0.000 0.644 243 A CB -0.369 18.569 19.000 -0.103 0.000 0.805 243 A HN 0.039 8.010 8.150 -0.298 0.000 0.449 244 A N -4.779 117.985 122.820 -0.094 0.000 2.379 244 A HA 0.179 4.487 4.320 -0.020 0.000 0.236 244 A C -1.101 176.494 177.584 0.019 0.000 1.272 244 A CA 0.061 52.074 52.037 -0.041 0.000 0.886 244 A CB 0.518 19.479 19.000 -0.065 0.000 0.962 244 A HN -0.404 7.546 8.150 -0.172 0.098 0.504 245 N N 0.000 118.753 118.700 0.088 0.000 1.763 245 N HA 0.000 4.823 4.740 0.138 0.000 0.220 245 N CA 0.000 53.176 53.050 0.210 0.000 0.885 245 N CB 0.000 38.694 38.487 0.345 0.000 1.341 245 N HN 0.000 8.360 8.380 0.073 0.064 0.667