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 3mi4_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 4.181 4.170 0.018 0.000 0.288 16 I C 0.000 176.105 176.117 -0.020 0.000 1.063 16 I CA 0.000 61.292 61.300 -0.012 0.000 1.566 16 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 17 V N 5.752 125.668 119.914 0.003 0.000 2.427 17 V HA 0.214 4.461 4.120 -0.017 -0.138 0.286 17 V C 0.742 176.841 176.094 0.009 0.000 1.034 17 V CA -1.811 60.488 62.300 -0.002 0.000 0.893 17 V CB 0.678 32.505 31.823 0.006 0.000 0.982 17 V HN 0.777 8.981 8.190 0.023 0.000 0.452 18 G N 6.941 115.740 108.800 -0.002 0.000 2.143 18 G HA2 -0.372 3.583 3.960 -0.009 0.000 0.248 18 G HA3 -0.372 3.749 3.960 -0.015 -0.170 0.248 18 G C -0.811 174.102 174.900 0.021 0.000 0.991 18 G CA 0.463 45.560 45.100 -0.004 0.000 0.689 18 G HN 0.810 9.095 8.290 -0.008 0.000 0.522 19 G N -0.939 107.880 108.800 0.031 0.000 2.736 19 G HA2 0.447 4.495 3.960 0.146 0.000 0.229 19 G HA3 0.447 4.531 3.960 -0.003 -0.125 0.229 19 G C -1.959 173.020 174.900 0.131 0.000 1.380 19 G CA -1.458 43.685 45.100 0.072 0.000 1.040 19 G HN -0.466 7.786 8.290 0.008 0.043 0.568 20 Y N -5.954 114.325 120.300 -0.035 0.000 2.588 20 Y HA 0.399 4.929 4.550 -0.033 0.000 0.343 20 Y C -1.733 174.139 175.900 -0.048 0.000 1.065 20 Y CA -2.530 55.548 58.100 -0.036 0.000 1.038 20 Y CB 1.537 39.979 38.460 -0.030 0.000 1.297 20 Y HN 0.295 8.447 8.280 -0.212 0.000 0.467 21 T N 3.340 117.919 114.554 0.043 0.000 2.799 21 T HA -0.022 4.374 4.350 -0.129 -0.123 0.296 21 T C -0.116 174.559 174.700 -0.041 0.000 0.947 21 T CA 1.763 63.836 62.100 -0.046 0.000 1.141 21 T CB 0.168 69.046 68.868 0.018 0.000 0.891 21 T HN 0.100 8.422 8.240 0.136 0.000 0.533 22 c N 5.906 124.382 118.600 -0.207 0.000 2.429 22 c HA -0.118 4.338 4.570 -0.190 0.000 0.277 22 c C 1.035 175.123 174.090 -0.003 0.000 1.262 22 c CA 1.181 57.410 56.329 -0.166 0.000 1.733 22 c CB 0.019 42.380 42.510 -0.249 0.000 2.010 22 c HN -0.010 8.066 8.230 -0.256 0.000 0.483 23 G N -1.978 106.810 108.800 -0.021 0.000 2.770 23 G HA2 -0.242 3.726 3.960 0.013 0.000 0.686 23 G HA3 -0.242 3.730 3.960 0.019 0.000 0.686 23 G C -1.819 173.073 174.900 -0.013 0.000 1.180 23 G CA -0.876 44.226 45.100 0.004 0.000 0.767 23 G HN -0.396 7.841 8.290 -0.046 0.026 0.646 24 A N 2.745 125.569 122.820 0.006 0.000 2.524 24 A HA -0.158 4.331 4.320 0.020 -0.156 0.250 24 A C -0.150 177.435 177.584 0.003 0.000 1.078 24 A CA 1.097 53.142 52.037 0.014 0.000 0.761 24 A CB 0.056 19.073 19.000 0.027 0.000 1.012 24 A HN 0.240 8.398 8.150 0.013 0.000 0.500 25 N N -2.347 116.351 118.700 -0.003 0.000 2.741 25 N HA -0.366 4.362 4.740 -0.020 0.000 0.251 25 N C 0.629 176.118 175.510 -0.036 0.000 1.112 25 N CA 1.503 54.545 53.050 -0.014 0.000 0.750 25 N CB -1.206 37.285 38.487 0.006 0.000 1.119 25 N HN 0.404 8.786 8.380 0.003 0.000 0.561 26 T N -4.101 110.421 114.554 -0.052 0.000 3.113 26 T HA -0.108 4.229 4.350 -0.023 0.000 0.256 26 T C -0.273 174.367 174.700 -0.099 0.000 1.131 26 T CA 1.613 63.685 62.100 -0.046 0.000 1.074 26 T CB 0.691 69.547 68.868 -0.020 0.000 0.944 26 T HN -0.540 7.616 8.240 -0.056 0.050 0.516 27 V N 2.536 122.327 119.914 -0.204 0.000 2.320 27 V HA 0.394 4.252 4.120 -0.437 0.000 0.257 27 V C -1.388 174.381 176.094 -0.542 0.000 0.996 27 V CA -3.369 58.660 62.300 -0.451 0.000 0.928 27 V CB 1.287 32.815 31.823 -0.491 0.000 1.169 27 V HN -0.288 7.729 8.190 -0.180 0.065 0.475 28 P HA 0.116 4.564 4.420 -0.100 -0.087 0.236 28 P C -0.031 177.230 177.300 -0.065 0.000 1.177 28 P CA 1.298 64.324 63.100 -0.123 0.000 0.773 28 P CB 0.027 31.727 31.700 0.000 0.000 0.878 29 Y N -5.234 115.092 120.300 0.043 0.000 2.511 29 Y HA 0.426 5.151 4.550 0.058 -0.141 0.279 29 Y C -0.500 175.438 175.900 0.065 0.000 1.157 29 Y CA -3.012 55.119 58.100 0.052 0.000 1.300 29 Y CB -1.321 37.165 38.460 0.044 0.000 1.052 29 Y HN -0.407 7.436 8.280 -0.641 0.052 0.529 30 Q N 1.906 121.565 119.800 -0.235 0.000 2.313 30 Q HA 0.130 4.644 4.340 0.068 -0.133 0.266 30 Q C -0.738 175.343 176.000 0.136 0.000 0.989 30 Q CA 0.088 55.866 55.803 -0.043 0.000 0.890 30 Q CB 0.509 29.109 28.738 -0.230 0.000 1.200 30 Q HN -0.727 7.189 8.270 -0.505 0.052 0.396 31 V N 6.530 126.569 119.914 0.207 0.000 2.815 31 V HA 0.474 4.832 4.120 0.228 -0.101 0.314 31 V C -1.094 175.178 176.094 0.296 0.000 1.064 31 V CA -1.900 60.526 62.300 0.211 0.000 0.952 31 V CB 3.273 35.169 31.823 0.123 0.000 1.020 31 V HN 0.145 8.451 8.190 0.195 0.000 0.439 32 S N 1.198 116.974 115.700 0.127 0.000 2.451 32 S HA 0.434 5.114 4.470 0.158 -0.115 0.301 32 S C -0.794 173.696 174.600 -0.183 0.000 1.116 32 S CA -1.921 56.269 58.200 -0.016 0.000 1.093 32 S CB 1.684 64.666 63.200 -0.363 0.000 1.017 32 S HN 0.068 8.420 8.310 0.070 0.000 0.482 33 L N 7.343 128.333 121.223 -0.388 0.000 2.276 33 L HA 0.404 4.648 4.340 -0.360 -0.120 0.286 33 L C -1.339 175.099 176.870 -0.720 0.000 1.061 33 L CA -0.588 53.894 54.840 -0.596 0.000 0.807 33 L CB 0.428 41.941 42.059 -0.909 0.000 1.177 33 L HN 0.516 8.497 8.230 -0.415 0.000 0.429 38 G N 0.795 109.332 108.800 -0.437 0.000 2.195 38 G HA2 -0.291 3.580 3.960 -0.148 0.000 0.224 38 G HA3 -0.291 3.581 3.960 -0.145 0.000 0.224 38 G C -1.845 173.001 174.900 -0.090 0.000 0.990 38 G CA 0.274 45.235 45.100 -0.231 0.000 0.639 38 G HN -0.015 8.341 8.290 -0.356 -0.280 0.514 39 Y N -6.981 113.295 120.300 -0.041 0.000 2.638 39 Y HA 0.216 4.733 4.550 -0.055 0.000 0.334 39 Y C -2.333 173.570 175.900 0.006 0.000 1.182 39 Y CA -3.333 54.749 58.100 -0.030 0.000 1.102 39 Y CB 0.700 39.145 38.460 -0.025 0.000 1.343 39 Y HN -1.263 6.727 8.280 -0.621 -0.083 0.463 40 H N 3.052 122.128 119.070 0.009 0.000 2.964 40 H HA -0.141 4.443 4.556 -0.225 -0.163 0.328 40 H C -0.272 175.149 175.328 0.156 0.000 1.030 40 H CA 0.555 56.549 56.048 -0.089 0.000 1.445 40 H CB 0.299 29.945 29.762 -0.194 0.000 1.449 40 H HN 0.367 8.752 8.280 0.176 0.000 0.581 41 F N 1.752 121.304 119.950 -0.662 0.000 2.876 41 F HA 0.309 4.719 4.527 -0.196 0.000 0.344 41 F C -1.555 173.992 175.800 -0.423 0.000 1.029 41 F CA -0.696 57.089 58.000 -0.358 0.000 1.154 41 F CB 1.610 40.574 39.000 -0.059 0.000 1.040 41 F HN 0.056 7.674 8.300 -1.137 0.000 0.576 42 c N -1.410 116.499 118.600 -1.151 0.000 3.312 42 c HA 0.299 4.793 4.570 -0.201 -0.045 0.332 42 c C -1.464 172.440 174.090 -0.310 0.000 1.340 42 c CA -0.073 55.951 56.329 -0.509 0.000 1.265 42 c CB 4.032 46.303 42.510 -0.398 0.000 1.563 42 c HN -0.845 6.419 8.230 -1.610 0.000 0.471 43 G N -0.732 108.084 108.800 0.027 0.000 2.535 43 G HA2 0.695 4.958 3.960 0.241 0.000 0.303 43 G HA3 0.695 4.783 3.960 0.214 0.000 0.303 43 G C -2.316 172.611 174.900 0.044 0.000 1.237 43 G CA -1.274 43.915 45.100 0.149 0.000 0.986 43 G HN 0.421 8.743 8.290 0.053 0.000 0.494 44 G N -4.089 104.773 108.800 0.104 0.000 2.550 44 G HA2 0.427 4.725 3.960 0.085 0.000 0.293 44 G HA3 0.427 4.428 3.960 0.069 0.000 0.293 44 G C -2.891 172.100 174.900 0.151 0.000 1.402 44 G CA 0.297 45.454 45.100 0.095 0.000 0.784 44 G HN -0.602 7.782 8.290 0.156 0.000 0.482 45 S N -0.625 115.169 115.700 0.157 0.000 2.557 45 S HA 0.802 5.636 4.470 0.273 -0.201 0.291 45 S C -1.310 173.397 174.600 0.178 0.000 1.116 45 S CA -0.948 57.378 58.200 0.210 0.000 0.992 45 S CB 3.518 66.827 63.200 0.183 0.000 1.028 45 S HN 0.240 8.631 8.310 0.135 0.000 0.484 46 L N 6.472 127.816 121.223 0.202 0.000 2.361 46 L HA 0.135 4.690 4.340 0.155 -0.122 0.278 46 L C -0.589 176.369 176.870 0.147 0.000 1.113 46 L CA 0.063 55.003 54.840 0.167 0.000 0.849 46 L CB 0.914 43.069 42.059 0.161 0.000 1.155 46 L HN 0.241 8.619 8.230 0.248 0.000 0.452 47 I N 0.373 121.026 120.570 0.139 0.000 4.181 47 I HA 0.493 4.708 4.170 0.075 0.000 0.331 47 I C -1.154 175.023 176.117 0.100 0.000 1.312 47 I CA -0.584 60.775 61.300 0.098 0.000 1.146 47 I CB 1.344 39.386 38.000 0.071 0.000 1.074 47 I HN 0.358 8.667 8.210 0.164 0.000 0.402 48 N N -1.538 117.248 118.700 0.143 0.000 3.308 48 N HA 0.223 5.023 4.740 0.100 0.000 0.276 48 N C 0.418 176.010 175.510 0.136 0.000 1.533 48 N CA -1.303 51.825 53.050 0.131 0.000 0.878 48 N CB 1.177 39.743 38.487 0.131 0.000 1.566 48 N HN -0.811 7.674 8.380 0.175 0.000 0.546 49 S N -1.525 114.240 115.700 0.108 0.000 2.469 49 S HA -0.310 4.201 4.470 0.067 0.000 0.238 49 S C 0.750 175.381 174.600 0.051 0.000 0.998 49 S CA 2.570 60.814 58.200 0.074 0.000 0.957 49 S CB -0.317 62.915 63.200 0.054 0.000 0.764 49 S HN 0.397 8.769 8.310 0.104 0.000 0.514 50 Q N -0.540 119.306 119.800 0.077 0.000 2.189 50 Q HA 0.212 4.552 4.340 -0.000 0.000 0.223 50 Q C -1.736 174.104 176.000 -0.266 0.000 0.828 50 Q CA 0.071 55.816 55.803 -0.096 0.000 0.967 50 Q CB 2.652 31.311 28.738 -0.131 0.000 1.139 50 Q HN -0.305 8.301 8.270 0.163 -0.238 0.497 51 W N -1.972 119.331 121.300 0.006 0.000 2.998 51 W HA 0.650 5.500 4.660 -0.001 -0.190 0.335 51 W C -1.834 174.695 176.519 0.016 0.000 1.110 51 W CA -1.137 56.209 57.345 0.001 0.000 1.230 51 W CB 3.905 33.352 29.460 -0.021 0.000 1.405 51 W HN -0.527 7.897 8.180 0.244 -0.097 0.493 52 V N 1.438 121.516 119.914 0.272 0.000 2.680 52 V HA 0.742 5.146 4.120 0.178 -0.178 0.309 52 V C -2.084 174.132 176.094 0.202 0.000 1.052 52 V CA -2.108 60.305 62.300 0.189 0.000 0.908 52 V CB 3.775 35.666 31.823 0.113 0.000 1.001 52 V HN 0.765 9.121 8.190 0.277 0.000 0.431 53 V N 7.056 127.065 119.914 0.158 0.000 2.435 53 V HA 0.744 5.116 4.120 0.159 -0.157 0.290 53 V C -1.808 174.352 176.094 0.110 0.000 1.030 53 V CA -2.237 60.148 62.300 0.141 0.000 0.881 53 V CB 2.369 34.270 31.823 0.132 0.000 0.983 53 V HN 0.330 8.609 8.190 0.149 0.000 0.445 54 S N 7.000 122.754 115.700 0.090 0.000 2.903 54 S HA 0.540 5.231 4.470 0.046 -0.194 0.314 54 S C -1.882 172.718 174.600 0.002 0.000 1.177 54 S CA -2.229 55.995 58.200 0.041 0.000 0.859 54 S CB 3.124 66.334 63.200 0.017 0.000 1.265 54 S HN 0.459 8.834 8.310 0.108 0.000 0.584 55 A N -0.111 122.669 122.820 -0.068 0.000 2.309 55 A HA 0.336 4.765 4.320 -0.096 -0.166 0.298 55 A C 0.878 178.348 177.584 -0.191 0.000 1.165 55 A CA -1.216 50.739 52.037 -0.136 0.000 0.821 55 A CB 1.043 19.899 19.000 -0.240 0.000 1.102 55 A HN 0.299 8.400 8.150 -0.082 0.000 0.500 56 A N 5.531 128.174 122.820 -0.295 0.000 1.978 56 A HA -0.281 3.876 4.320 -0.270 0.000 0.220 56 A C 1.409 178.770 177.584 -0.372 0.000 1.170 56 A CA 2.870 54.610 52.037 -0.494 0.000 0.636 56 A CB -0.474 17.793 19.000 -1.221 0.000 0.810 56 A HN 0.628 8.624 8.150 -0.292 -0.021 0.448 57 H N -4.370 114.558 119.070 -0.237 0.000 2.559 57 H HA -0.099 4.521 4.556 0.106 0.000 0.273 57 H C 0.363 175.750 175.328 0.098 0.000 1.000 57 H CA 1.732 57.807 56.048 0.044 0.000 1.195 57 H CB -1.097 28.756 29.762 0.153 0.000 1.368 57 H HN 0.001 8.480 8.280 -0.148 -0.287 0.592 58 c N -1.900 116.596 118.600 -0.174 0.000 2.626 58 c HA -0.047 4.577 4.570 0.090 0.000 0.266 58 c C -0.376 173.787 174.090 0.122 0.000 1.317 58 c CA 0.364 56.705 56.329 0.020 0.000 1.716 58 c CB -1.968 40.529 42.510 -0.022 0.000 1.819 58 c HN -0.516 7.382 8.230 -0.280 0.164 0.578 59 Y N 2.989 123.300 120.300 0.018 0.000 2.712 59 Y HA -0.253 4.323 4.550 0.044 0.000 0.333 59 Y C -0.895 174.999 175.900 -0.010 0.000 1.225 59 Y CA 1.585 59.699 58.100 0.023 0.000 1.499 59 Y CB 0.482 38.947 38.460 0.007 0.000 1.288 59 Y HN -0.573 7.633 8.280 0.158 0.170 0.575 60 K N 5.679 125.398 120.400 -1.135 0.000 2.607 60 K HA 0.190 3.727 4.320 -1.304 0.000 0.287 60 K C -2.159 173.927 176.600 -0.857 0.000 0.996 60 K CA -1.379 54.256 56.287 -1.085 0.000 0.876 60 K CB 2.941 35.046 32.500 -0.658 0.000 1.496 60 K HN 0.082 7.817 8.250 -0.858 0.000 0.415 61 S N 0.090 115.480 115.700 -0.517 0.000 2.632 61 S HA -0.029 4.346 4.470 -0.159 0.000 0.267 61 S C 1.391 175.876 174.600 -0.192 0.000 1.276 61 S CA 0.619 58.687 58.200 -0.220 0.000 0.998 61 S CB 0.685 63.828 63.200 -0.095 0.000 0.953 61 S HN -0.054 7.974 8.310 -0.469 0.000 0.547 62 G N 0.076 108.805 108.800 -0.117 0.000 2.182 62 G HA2 -0.227 3.681 3.960 -0.086 0.000 0.248 62 G HA3 -0.227 3.656 3.960 -0.129 0.000 0.248 62 G C -1.000 173.835 174.900 -0.110 0.000 1.042 62 G CA 0.126 45.159 45.100 -0.112 0.000 0.775 62 G HN 0.242 8.482 8.290 -0.084 0.000 0.501 63 I N -0.537 119.988 120.570 -0.075 0.000 2.441 63 I HA -0.079 4.092 4.170 0.002 0.000 0.287 63 I C -1.643 174.441 176.117 -0.055 0.000 1.049 63 I CA -0.144 61.142 61.300 -0.025 0.000 1.381 63 I CB 0.461 38.480 38.000 0.031 0.000 1.409 63 I HN -0.414 7.753 8.210 -0.072 0.000 0.523 64 Q N 7.445 127.194 119.800 -0.084 0.000 2.307 64 Q HA 0.337 4.628 4.340 -0.081 0.000 0.262 64 Q C -1.454 174.470 176.000 -0.128 0.000 0.961 64 Q CA -1.358 54.380 55.803 -0.110 0.000 0.882 64 Q CB 2.933 31.574 28.738 -0.161 0.000 1.264 64 Q HN 0.484 8.702 8.270 -0.086 0.000 0.446 65 V N 7.534 127.399 119.914 -0.083 0.000 2.498 65 V HA 0.079 4.141 4.120 -0.097 0.000 0.279 65 V C -0.926 175.147 176.094 -0.035 0.000 1.048 65 V CA -0.194 62.066 62.300 -0.066 0.000 0.967 65 V CB 0.174 31.981 31.823 -0.027 0.000 0.988 65 V HN 0.509 8.662 8.190 -0.061 0.000 0.473 66 R N 6.817 127.285 120.500 -0.054 0.000 2.337 66 R HA 0.528 5.133 4.340 0.188 -0.152 0.319 66 R C -0.871 175.490 176.300 0.102 0.000 0.954 66 R CA -1.247 54.875 56.100 0.037 0.000 0.840 66 R CB 1.257 31.451 30.300 -0.177 0.000 1.164 66 R HN 0.495 8.714 8.270 -0.085 0.000 0.472 70 E N 0.185 120.490 120.200 0.176 0.000 2.301 70 E HA 0.127 4.567 4.350 0.151 0.000 0.275 70 E C -1.438 175.347 176.600 0.308 0.000 1.030 70 E CA 0.290 56.814 56.400 0.206 0.000 0.852 70 E CB 0.904 30.677 29.700 0.122 0.000 1.060 70 E HN -0.536 7.904 8.360 0.197 0.038 0.401 71 D N 3.048 123.595 120.400 0.246 0.000 3.061 71 D HA 0.090 4.939 4.640 0.349 0.000 0.243 71 D C -0.794 175.706 176.300 0.334 0.000 1.572 71 D CA 0.908 55.074 54.000 0.277 0.000 1.269 71 D CB 2.374 43.254 40.800 0.134 0.000 1.023 71 D HN 0.121 8.595 8.370 0.173 0.000 0.280 72 N N 0.986 119.792 118.700 0.175 0.000 2.416 72 N HA 0.070 5.269 4.740 0.175 -0.354 0.265 72 N C 2.189 177.713 175.510 0.023 0.000 1.195 72 N CA 0.044 53.169 53.050 0.124 0.000 0.943 72 N CB 0.392 38.926 38.487 0.079 0.000 1.115 72 N HN -0.454 8.314 8.380 0.134 -0.308 0.481 73 I N 0.184 120.684 120.570 -0.116 0.000 3.176 73 I HA -0.094 4.070 4.170 -0.258 -0.148 0.275 73 I C -0.336 175.698 176.117 -0.138 0.000 1.298 73 I CA 1.403 62.530 61.300 -0.289 0.000 1.445 73 I CB -0.636 36.943 38.000 -0.701 0.000 1.075 73 I HN 0.315 8.470 8.210 -0.092 0.000 0.482 74 N N -2.643 116.024 118.700 -0.055 0.000 2.205 74 N HA 0.171 4.895 4.740 -0.027 0.000 0.201 74 N C -1.038 174.480 175.510 0.013 0.000 1.128 74 N CA -0.102 52.938 53.050 -0.018 0.000 0.867 74 N CB 1.968 40.452 38.487 -0.004 0.000 0.996 74 N HN -0.348 8.254 8.380 -0.036 -0.244 0.503 75 V N 0.504 120.433 119.914 0.025 0.000 2.638 75 V HA 0.051 4.190 4.120 0.033 0.000 0.306 75 V C -1.321 174.800 176.094 0.046 0.000 1.052 75 V CA -1.931 60.389 62.300 0.034 0.000 0.885 75 V CB 3.285 35.126 31.823 0.031 0.000 0.999 75 V HN -0.785 7.473 8.190 0.021 -0.056 0.424 76 V N 6.719 126.659 119.914 0.042 0.000 2.415 76 V HA -0.192 4.150 4.120 0.036 -0.200 0.267 76 V C 0.293 176.390 176.094 0.003 0.000 1.042 76 V CA 0.393 62.707 62.300 0.023 0.000 1.000 76 V CB -1.055 30.769 31.823 0.001 0.000 1.015 76 V HN 0.317 8.530 8.190 0.039 0.000 0.478 77 E N 8.736 128.938 120.200 0.002 0.000 2.473 77 E HA 0.096 4.449 4.350 0.004 0.000 0.204 77 E C 0.553 177.146 176.600 -0.012 0.000 0.994 77 E CA -0.101 56.301 56.400 0.003 0.000 0.945 77 E CB 0.790 30.503 29.700 0.022 0.000 0.990 77 E HN 0.379 9.208 8.360 0.005 -0.466 0.493 78 G N -1.289 107.490 108.800 -0.034 0.000 2.229 78 G HA2 -0.292 3.632 3.960 -0.060 0.000 0.189 78 G HA3 -0.292 3.650 3.960 -0.032 0.000 0.189 78 G C -0.150 174.720 174.900 -0.049 0.000 1.000 78 G CA 0.264 45.337 45.100 -0.045 0.000 0.663 78 G HN 0.087 8.643 8.290 -0.045 -0.293 0.493 79 N N -0.270 118.406 118.700 -0.039 0.000 2.177 79 N HA 0.087 4.805 4.740 -0.036 0.000 0.218 79 N C -1.316 174.169 175.510 -0.042 0.000 1.182 79 N CA -0.649 52.383 53.050 -0.030 0.000 0.882 79 N CB 0.921 39.406 38.487 -0.003 0.000 1.052 79 N HN 0.280 8.642 8.380 -0.030 0.000 0.519 80 E N 0.128 120.274 120.200 -0.091 0.000 2.390 80 E HA 0.049 4.608 4.350 -0.011 -0.215 0.261 80 E C -0.079 176.413 176.600 -0.180 0.000 1.076 80 E CA 0.607 56.935 56.400 -0.120 0.000 0.905 80 E CB 0.486 30.010 29.700 -0.293 0.000 0.984 80 E HN -0.412 7.882 8.360 -0.110 0.000 0.427 81 Q N 1.065 120.825 119.800 -0.067 0.000 2.292 81 Q HA 0.266 4.517 4.340 -0.148 0.000 0.270 81 Q C -1.285 174.815 176.000 0.167 0.000 1.024 81 Q CA -1.270 54.507 55.803 -0.045 0.000 0.768 81 Q CB 2.492 31.232 28.738 0.003 0.000 1.250 81 Q HN 0.316 8.607 8.270 0.034 0.000 0.447 82 F N 3.520 123.451 119.950 -0.031 0.000 2.388 82 F HA 0.814 5.480 4.527 -0.046 -0.166 0.358 82 F C 0.205 175.981 175.800 -0.041 0.000 1.122 82 F CA -3.125 54.850 58.000 -0.041 0.000 1.056 82 F CB 1.074 40.047 39.000 -0.045 0.000 1.155 82 F HN 0.303 8.599 8.300 -0.007 0.000 0.461 83 I N 4.143 124.789 120.570 0.127 0.000 2.512 83 I HA 0.291 4.488 4.170 0.045 0.000 0.287 83 I C -1.096 175.020 176.117 -0.002 0.000 1.069 83 I CA -1.150 60.176 61.300 0.043 0.000 1.056 83 I CB 3.648 41.657 38.000 0.016 0.000 1.229 83 I HN 0.729 9.007 8.210 0.114 0.000 0.429 84 S N 7.716 123.407 115.700 -0.016 0.000 2.572 84 S HA -0.026 4.416 4.470 -0.047 0.000 0.279 84 S C -0.251 174.314 174.600 -0.058 0.000 1.341 84 S CA 0.713 58.889 58.200 -0.040 0.000 1.043 84 S CB 0.797 63.975 63.200 -0.037 0.000 0.887 84 S HN 0.491 8.797 8.310 -0.006 0.000 0.516 85 A N 3.717 126.499 122.820 -0.063 0.000 2.425 85 A HA 0.099 4.505 4.320 -0.105 -0.148 0.249 85 A C -0.869 176.669 177.584 -0.078 0.000 1.084 85 A CA 0.337 52.327 52.037 -0.079 0.000 0.781 85 A CB 0.541 19.508 19.000 -0.055 0.000 1.019 85 A HN -0.011 8.105 8.150 -0.057 0.000 0.490 86 S N 3.527 119.159 115.700 -0.112 0.000 2.470 86 S HA 0.093 4.523 4.470 -0.067 0.000 0.222 86 S C -0.026 174.534 174.600 -0.067 0.000 1.024 86 S CA 1.042 59.187 58.200 -0.092 0.000 0.931 86 S CB 0.626 63.752 63.200 -0.124 0.000 0.791 86 S HN 0.316 8.533 8.310 -0.155 0.000 0.513 87 K N -1.519 118.833 120.400 -0.080 0.000 2.562 87 K HA 0.291 4.611 4.320 -0.000 0.000 0.267 87 K C -2.475 174.139 176.600 0.023 0.000 0.938 87 K CA -0.418 55.858 56.287 -0.018 0.000 0.840 87 K CB 2.595 35.087 32.500 -0.014 0.000 1.390 87 K HN -0.770 7.409 8.250 -0.119 0.000 0.428 88 S N 1.535 117.301 115.700 0.112 0.000 2.482 88 S HA 0.798 5.268 4.470 -0.000 0.000 0.303 88 S C -0.810 173.904 174.600 0.189 0.000 1.091 88 S CA -0.404 57.908 58.200 0.187 0.000 1.057 88 S CB 1.221 64.609 63.200 0.315 0.000 1.031 88 S HN 0.206 8.588 8.310 0.121 0.000 0.485 89 I N 5.946 126.654 120.570 0.229 0.000 2.493 89 I HA 0.241 4.514 4.170 0.171 0.000 0.279 89 I C -1.366 174.917 176.117 0.277 0.000 1.045 89 I CA -0.533 60.906 61.300 0.232 0.000 1.106 89 I CB 2.632 40.787 38.000 0.258 0.000 1.216 89 I HN 0.812 9.176 8.210 0.257 0.000 0.459 90 V N 7.191 127.193 119.914 0.147 0.000 2.811 90 V HA -0.209 3.971 4.120 0.100 0.000 0.302 90 V C 0.151 176.322 176.094 0.128 0.000 1.063 90 V CA -0.034 62.322 62.300 0.093 0.000 1.088 90 V CB 0.307 32.105 31.823 -0.041 0.000 0.982 90 V HN 0.222 8.455 8.190 0.073 0.000 0.485 91 H N 8.191 127.202 119.070 -0.097 0.000 3.038 91 H HA -0.087 4.060 4.556 -0.683 0.000 0.338 91 H C 0.134 175.363 175.328 -0.166 0.000 1.041 91 H CA 0.651 56.448 56.048 -0.417 0.000 1.394 91 H CB 1.657 31.053 29.762 -0.610 0.000 1.357 91 H HN -0.207 8.095 8.280 0.037 0.000 0.600 92 P HA -0.050 4.314 4.420 -0.093 0.000 0.222 92 P C -0.471 176.817 177.300 -0.020 0.000 1.147 92 P CA 1.662 64.632 63.100 -0.217 0.000 0.790 92 P CB 0.333 31.885 31.700 -0.247 0.000 0.780 93 S N -2.816 112.997 115.700 0.189 0.000 2.602 93 S HA 0.118 4.646 4.470 0.098 0.000 0.240 93 S C -0.993 173.722 174.600 0.193 0.000 0.992 93 S CA -0.289 58.031 58.200 0.199 0.000 0.971 93 S CB 0.997 64.317 63.200 0.199 0.000 0.855 93 S HN -0.549 7.964 8.310 0.420 0.049 0.481 94 Y N 4.151 124.502 120.300 0.085 0.000 2.717 94 Y HA -0.265 4.465 4.550 -0.018 -0.190 0.330 94 Y C -0.477 175.420 175.900 -0.005 0.000 1.217 94 Y CA 1.180 59.286 58.100 0.011 0.000 1.506 94 Y CB 0.358 38.825 38.460 0.012 0.000 1.268 94 Y HN -0.807 7.617 8.280 0.338 0.059 0.561 95 N N 7.952 126.309 118.700 -0.572 0.000 2.479 95 N HA 0.222 4.651 4.740 -0.519 0.000 0.261 95 N C -0.174 174.798 175.510 -0.896 0.000 0.979 95 N CA -1.031 51.665 53.050 -0.589 0.000 0.930 95 N CB 1.635 39.956 38.487 -0.278 0.000 1.172 95 N HN -0.304 7.855 8.380 -0.369 0.000 0.499 96 S N 6.076 121.217 115.700 -0.932 0.000 2.481 96 S HA -0.078 3.978 4.470 -0.690 0.000 0.231 96 S C 0.835 175.254 174.600 -0.302 0.000 0.996 96 S CA 1.908 59.746 58.200 -0.602 0.000 0.942 96 S CB 0.011 63.056 63.200 -0.258 0.000 0.768 96 S HN 0.605 8.454 8.310 -0.770 0.000 0.520 97 N N 2.554 121.084 118.700 -0.283 0.000 2.173 97 N HA -0.044 4.578 4.740 -0.197 0.000 0.184 97 N C 1.575 176.926 175.510 -0.265 0.000 1.025 97 N CA 2.270 55.187 53.050 -0.222 0.000 0.852 97 N CB 0.294 38.676 38.487 -0.174 0.000 0.998 97 N HN -0.110 8.246 8.380 -0.307 -0.160 0.427 98 T N -3.953 110.439 114.554 -0.270 0.000 3.037 98 T HA 0.058 4.215 4.350 -0.323 0.000 0.251 98 T C 0.579 175.079 174.700 -0.332 0.000 1.079 98 T CA 0.086 62.016 62.100 -0.284 0.000 1.067 98 T CB 1.404 70.161 68.868 -0.185 0.000 0.948 98 T HN -0.540 7.812 8.240 -0.264 -0.270 0.496 99 L N -4.132 116.934 121.223 -0.262 0.000 4.429 99 L HA -0.495 3.953 4.340 0.054 -0.075 0.422 99 L C -1.655 175.245 176.870 0.050 0.000 1.149 99 L CA 0.517 55.311 54.840 -0.077 0.000 0.972 99 L CB -2.772 39.183 42.059 -0.173 0.000 2.059 99 L HN -0.324 7.682 8.230 -0.286 0.052 0.870 100 N N -0.764 117.927 118.700 -0.016 0.000 2.492 100 N HA -0.212 4.578 4.740 0.084 0.000 0.262 100 N C 0.050 175.619 175.510 0.098 0.000 1.202 100 N CA 0.984 54.061 53.050 0.045 0.000 0.926 100 N CB 0.906 39.392 38.487 -0.002 0.000 1.078 100 N HN -0.715 7.544 8.380 -0.095 0.063 0.454 101 N N -1.202 117.547 118.700 0.082 0.000 2.756 101 N HA -0.476 4.191 4.740 -0.121 0.000 0.248 101 N C -1.393 174.094 175.510 -0.038 0.000 1.062 101 N CA 1.325 54.330 53.050 -0.076 0.000 0.696 101 N CB -1.589 36.763 38.487 -0.225 0.000 0.946 101 N HN 0.656 9.100 8.380 0.107 0.000 0.548 102 D N -0.894 119.524 120.400 0.029 0.000 2.551 102 D HA 0.062 4.680 4.640 -0.037 0.000 0.223 102 D C -1.832 174.370 176.300 -0.162 0.000 1.144 102 D CA -0.284 53.725 54.000 0.015 0.000 1.025 102 D CB -0.725 40.197 40.800 0.203 0.000 1.085 102 D HN -0.183 8.219 8.370 0.053 0.000 0.506 103 I N 2.104 122.507 120.570 -0.279 0.000 2.775 103 I HA 0.459 4.738 4.170 -0.130 -0.187 0.295 103 I C -3.058 173.020 176.117 -0.065 0.000 1.287 103 I CA -1.217 59.957 61.300 -0.210 0.000 1.029 103 I CB 3.765 41.513 38.000 -0.420 0.000 1.282 103 I HN -0.317 7.671 8.210 -0.308 0.037 0.426 104 M N 6.129 125.783 119.600 0.090 0.000 2.520 104 M HA 0.625 5.440 4.480 0.350 -0.125 0.283 104 M C -2.778 173.684 176.300 0.270 0.000 1.237 104 M CA -0.999 54.433 55.300 0.219 0.000 0.885 104 M CB 5.032 37.696 32.600 0.106 0.000 1.727 104 M HN 0.306 8.640 8.290 0.073 0.000 0.468 105 L N 1.959 123.371 121.223 0.315 0.000 2.334 105 L HA 0.836 5.511 4.340 0.268 -0.173 0.276 105 L C -1.347 175.727 176.870 0.339 0.000 1.014 105 L CA -1.423 53.596 54.840 0.298 0.000 0.815 105 L CB 3.338 45.499 42.059 0.169 0.000 1.268 105 L HN 0.354 8.804 8.230 0.367 0.000 0.428 106 I N 0.713 121.471 120.570 0.313 0.000 2.466 106 I HA 0.474 4.862 4.170 0.107 -0.154 0.289 106 I C -1.700 174.363 176.117 -0.090 0.000 1.026 106 I CA -1.234 60.139 61.300 0.122 0.000 1.078 106 I CB 3.063 41.106 38.000 0.072 0.000 1.249 106 I HN 0.686 9.105 8.210 0.349 0.000 0.429 107 K N 6.738 126.859 120.400 -0.466 0.000 2.156 107 K HA 0.644 4.371 4.320 -1.280 -0.175 0.271 107 K C -0.958 175.355 176.600 -0.479 0.000 0.995 107 K CA -1.887 53.809 56.287 -0.984 0.000 0.890 107 K CB 2.966 34.649 32.500 -1.362 0.000 1.073 107 K HN 0.341 8.399 8.250 -0.320 0.000 0.454 108 L N 5.538 126.506 121.223 -0.425 0.000 2.371 108 L HA -0.043 4.190 4.340 -0.178 0.000 0.272 108 L C 0.221 176.969 176.870 -0.204 0.000 1.124 108 L CA 0.316 55.017 54.840 -0.232 0.000 0.816 108 L CB 0.303 42.267 42.059 -0.158 0.000 1.129 108 L HN 0.330 8.239 8.230 -0.535 0.000 0.448 109 K N 1.323 121.644 120.400 -0.131 0.000 2.211 109 K HA -0.250 4.003 4.320 -0.112 0.000 0.203 109 K C 0.029 176.581 176.600 -0.081 0.000 1.050 109 K CA 2.475 58.703 56.287 -0.099 0.000 0.945 109 K CB 0.505 32.966 32.500 -0.065 0.000 0.732 109 K HN 0.391 8.574 8.250 -0.110 0.000 0.451 110 S N -5.169 110.488 115.700 -0.071 0.000 2.569 110 S HA 0.064 4.503 4.470 -0.050 0.000 0.280 110 S C -1.563 173.007 174.600 -0.051 0.000 1.111 110 S CA -1.656 56.514 58.200 -0.051 0.000 0.887 110 S CB 2.966 66.147 63.200 -0.031 0.000 1.095 110 S HN -0.848 7.391 8.310 -0.074 0.027 0.476 111 A N 0.808 123.608 122.820 -0.034 0.000 2.425 111 A HA -0.103 4.345 4.320 -0.031 -0.146 0.249 111 A C 0.005 177.584 177.584 -0.008 0.000 1.084 111 A CA -0.074 51.950 52.037 -0.020 0.000 0.781 111 A CB 0.461 19.459 19.000 -0.002 0.000 1.019 111 A HN 0.204 8.337 8.150 -0.028 0.000 0.490 112 A N 3.459 126.281 122.820 0.003 0.000 2.425 112 A HA -0.061 4.355 4.320 0.010 -0.090 0.242 112 A C 0.044 177.638 177.584 0.016 0.000 1.077 112 A CA -0.090 51.955 52.037 0.014 0.000 0.781 112 A CB 0.916 19.933 19.000 0.029 0.000 1.020 112 A HN 0.069 8.221 8.150 0.002 0.000 0.494 113 S N 2.058 117.765 115.700 0.012 0.000 2.400 113 S HA 0.074 4.552 4.470 0.012 0.000 0.295 113 S C -0.789 173.822 174.600 0.019 0.000 1.113 113 S CA 0.174 58.380 58.200 0.011 0.000 1.064 113 S CB -0.458 62.743 63.200 0.002 0.000 0.990 113 S HN -0.089 8.540 8.310 0.009 -0.314 0.502 114 L N 7.792 129.030 121.223 0.025 0.000 2.371 114 L HA 0.246 4.754 4.340 0.037 -0.146 0.272 114 L C 0.046 176.932 176.870 0.027 0.000 1.124 114 L CA -0.053 54.807 54.840 0.033 0.000 0.816 114 L CB 0.638 42.721 42.059 0.040 0.000 1.129 114 L HN 0.291 8.536 8.230 0.024 0.000 0.448 115 N N 2.840 121.557 118.700 0.029 0.000 3.364 115 N HA 0.185 4.938 4.740 0.022 0.000 0.294 115 N C -0.474 175.053 175.510 0.029 0.000 1.562 115 N CA -0.628 52.436 53.050 0.024 0.000 0.862 115 N CB 0.918 39.414 38.487 0.015 0.000 1.691 115 N HN 0.317 8.718 8.380 0.035 0.000 0.572 116 S N -2.017 113.698 115.700 0.024 0.000 2.419 116 S HA -0.310 4.179 4.470 0.032 0.000 0.233 116 S C 0.761 175.377 174.600 0.027 0.000 1.016 116 S CA 2.743 60.958 58.200 0.026 0.000 0.974 116 S CB -0.321 62.891 63.200 0.021 0.000 0.786 116 S HN 0.330 8.651 8.310 0.019 0.000 0.492 117 R N -1.593 118.920 120.500 0.022 0.000 2.308 117 R HA 0.211 4.559 4.340 0.013 0.000 0.202 117 R C -1.256 175.059 176.300 0.024 0.000 0.898 117 R CA 0.089 56.200 56.100 0.018 0.000 1.046 117 R CB 1.636 31.944 30.300 0.014 0.000 1.026 117 R HN -0.439 8.061 8.270 0.021 -0.217 0.512 118 V N -0.531 119.404 119.914 0.035 0.000 2.445 118 V HA 0.317 4.634 4.120 0.052 -0.166 0.283 118 V C -2.282 173.850 176.094 0.063 0.000 1.014 118 V CA -1.739 60.590 62.300 0.048 0.000 0.852 118 V CB 1.302 33.150 31.823 0.043 0.000 1.021 118 V HN -0.590 7.765 8.190 0.034 -0.144 0.435 119 A N 6.915 129.789 122.820 0.090 0.000 2.549 119 A HA 0.469 4.841 4.320 0.087 0.000 0.297 119 A C -2.283 175.393 177.584 0.154 0.000 1.061 119 A CA -1.308 50.794 52.037 0.108 0.000 0.690 119 A CB 3.333 22.398 19.000 0.108 0.000 1.287 119 A HN -0.202 7.908 8.150 0.098 0.098 0.402 120 S N 0.149 115.922 115.700 0.123 0.000 2.603 120 S HA 0.188 4.922 4.470 0.148 -0.176 0.268 120 S C -0.314 174.345 174.600 0.099 0.000 1.317 120 S CA 0.551 58.822 58.200 0.119 0.000 1.012 120 S CB 0.489 63.735 63.200 0.078 0.000 0.926 120 S HN 0.182 8.551 8.310 0.099 0.000 0.539 121 I N 2.727 123.315 120.570 0.030 0.000 2.441 121 I HA 0.183 4.284 4.170 -0.115 0.000 0.295 121 I C -1.280 174.787 176.117 -0.084 0.000 0.994 121 I CA -1.915 59.305 61.300 -0.133 0.000 1.144 121 I CB 3.832 41.528 38.000 -0.506 0.000 1.314 121 I HN 0.192 8.435 8.210 0.056 0.000 0.445 122 S N 7.888 123.538 115.700 -0.082 0.000 2.572 122 S HA 0.102 4.554 4.470 -0.029 0.000 0.279 122 S C -0.214 174.356 174.600 -0.051 0.000 1.341 122 S CA -0.373 57.797 58.200 -0.048 0.000 1.043 122 S CB 0.803 63.978 63.200 -0.042 0.000 0.887 122 S HN 0.324 8.576 8.310 -0.097 0.000 0.516 123 L N 4.473 125.682 121.223 -0.024 0.000 2.436 123 L HA 0.174 4.511 4.340 -0.004 0.000 0.265 123 L C -1.086 175.778 176.870 -0.010 0.000 1.168 123 L CA -2.024 52.811 54.840 -0.007 0.000 0.815 123 L CB 0.077 42.140 42.059 0.007 0.000 1.109 123 L HN 0.119 8.338 8.230 -0.019 0.000 0.462 124 P HA 0.061 4.470 4.420 -0.020 0.000 0.275 124 P C -0.516 176.781 177.300 -0.005 0.000 1.228 124 P CA -0.418 62.677 63.100 -0.008 0.000 0.786 124 P CB 0.548 32.246 31.700 -0.004 0.000 0.927 128 c N 1.120 119.692 118.600 -0.048 0.000 2.652 128 c HA -0.038 4.489 4.570 -0.072 0.000 0.412 128 c C 0.620 174.649 174.090 -0.101 0.000 1.294 128 c CA 0.087 56.372 56.329 -0.073 0.000 2.127 128 c CB -0.482 41.987 42.510 -0.068 0.000 2.691 128 c HN 0.099 8.304 8.230 -0.042 0.000 0.615 129 A N 4.477 127.203 122.820 -0.157 0.000 2.287 129 A HA 0.014 4.256 4.320 -0.130 0.000 0.273 129 A C -1.157 176.316 177.584 -0.186 0.000 1.091 129 A CA 0.072 52.003 52.037 -0.176 0.000 0.817 129 A CB 0.600 19.463 19.000 -0.228 0.000 1.069 129 A HN 0.454 8.493 8.150 -0.185 0.000 0.492 133 G N 1.453 110.215 108.800 -0.063 0.000 2.234 133 G HA2 -0.361 3.568 3.960 -0.052 0.000 0.235 133 G HA3 -0.361 3.572 3.960 -0.044 0.000 0.235 133 G C -0.231 174.635 174.900 -0.057 0.000 0.997 133 G CA -0.107 44.961 45.100 -0.053 0.000 0.623 133 G HN 0.568 8.711 8.290 -0.067 0.107 0.514 134 T N 4.546 119.056 114.554 -0.073 0.000 2.916 134 T HA -0.109 4.208 4.350 -0.054 0.000 0.303 134 T C -0.500 174.161 174.700 -0.065 0.000 1.025 134 T CA 1.471 63.529 62.100 -0.070 0.000 1.142 134 T CB 0.409 69.221 68.868 -0.094 0.000 0.947 134 T HN -0.389 7.723 8.240 -0.086 0.077 0.544 135 Q N 4.172 123.947 119.800 -0.041 0.000 2.288 135 Q HA 0.379 4.719 4.340 -0.000 0.000 0.254 135 Q C -0.779 175.208 176.000 -0.023 0.000 0.932 135 Q CA 0.080 55.868 55.803 -0.025 0.000 0.902 135 Q CB 1.011 29.749 28.738 -0.000 0.000 1.203 135 Q HN 0.201 8.451 8.270 -0.035 0.000 0.415 136 c N 1.269 119.859 118.600 -0.018 0.000 3.044 136 c HA 0.599 5.278 4.570 -0.009 -0.115 0.315 136 c C -1.770 172.333 174.090 0.021 0.000 1.320 136 c CA -1.164 55.157 56.329 -0.013 0.000 1.582 136 c CB 4.338 46.822 42.510 -0.044 0.000 2.039 136 c HN 0.534 8.754 8.230 -0.018 0.000 0.466 137 L N 0.893 122.137 121.223 0.034 0.000 2.305 137 L HA 0.723 5.263 4.340 0.071 -0.157 0.284 137 L C -2.109 174.782 176.870 0.035 0.000 1.013 137 L CA -1.232 53.644 54.840 0.060 0.000 0.819 137 L CB 2.937 45.054 42.059 0.098 0.000 1.227 137 L HN 0.490 8.736 8.230 0.028 0.000 0.417 138 I N 7.390 127.966 120.570 0.010 0.000 2.474 138 I HA 0.865 5.264 4.170 0.010 -0.224 0.294 138 I C -1.346 174.747 176.117 -0.039 0.000 1.005 138 I CA -1.644 59.655 61.300 -0.002 0.000 1.113 138 I CB 2.401 40.398 38.000 -0.005 0.000 1.289 138 I HN 0.731 8.953 8.210 0.019 0.000 0.436 139 S N 3.171 118.841 115.700 -0.049 0.000 2.579 139 S HA 0.945 5.443 4.470 -0.207 -0.153 0.272 139 S C -1.207 173.290 174.600 -0.172 0.000 1.141 139 S CA -1.774 56.324 58.200 -0.170 0.000 0.843 139 S CB 3.663 66.721 63.200 -0.237 0.000 1.122 139 S HN -0.177 8.132 8.310 -0.001 0.000 0.468 140 G N -0.947 107.660 108.800 -0.321 0.000 2.313 140 G HA2 0.197 3.942 3.960 -0.358 0.000 0.296 140 G HA3 0.197 4.269 3.960 -0.057 -0.146 0.296 140 G C -2.184 172.497 174.900 -0.365 0.000 1.356 140 G CA 0.635 45.569 45.100 -0.276 0.000 0.833 140 G HN 0.107 8.158 8.290 -0.398 0.000 0.552 141 W N 0.665 121.921 121.300 -0.072 0.000 3.067 141 W HA 0.379 4.976 4.660 -0.104 0.000 0.417 141 W C -0.112 176.427 176.519 0.033 0.000 1.029 141 W CA -0.866 56.393 57.345 -0.143 0.000 1.992 141 W CB 0.311 29.474 29.460 -0.495 0.000 1.122 141 W HN 0.531 8.873 8.180 0.269 0.000 0.681 142 G N 0.719 109.678 108.800 0.266 0.000 2.588 142 G HA2 -0.040 4.249 3.960 0.513 0.000 0.278 142 G HA3 -0.040 4.190 3.960 0.258 -0.115 0.278 142 G C -1.048 173.891 174.900 0.065 0.000 1.307 142 G CA -0.755 44.529 45.100 0.306 0.000 1.016 142 G HN -0.349 8.289 8.290 0.185 -0.237 0.503 143 N N -0.367 118.229 118.700 -0.174 0.000 2.356 143 N HA -0.280 4.049 4.740 -0.970 -0.171 0.252 143 N C 0.846 176.221 175.510 -0.225 0.000 1.241 143 N CA 1.007 53.726 53.050 -0.552 0.000 0.861 143 N CB 0.568 38.766 38.487 -0.483 0.000 1.075 143 N HN -0.068 8.320 8.380 0.013 0.000 0.461 144 T N -0.839 113.587 114.554 -0.214 0.000 3.069 144 T HA 0.131 4.557 4.350 -0.079 -0.123 0.252 144 T C 0.092 174.743 174.700 -0.082 0.000 1.053 144 T CA 0.290 62.327 62.100 -0.105 0.000 0.964 144 T CB 1.210 70.032 68.868 -0.076 0.000 1.005 144 T HN 0.273 8.340 8.240 -0.288 0.000 0.532 145 K N 2.205 122.544 120.400 -0.103 0.000 2.259 145 K HA 0.381 4.675 4.320 -0.043 0.000 0.252 145 K C -0.258 176.318 176.600 -0.040 0.000 0.936 145 K CA -2.179 54.072 56.287 -0.060 0.000 0.810 145 K CB 1.877 34.342 32.500 -0.059 0.000 1.143 145 K HN -0.504 7.890 8.250 -0.151 -0.235 0.427 146 S N 1.820 117.510 115.700 -0.016 0.000 2.503 146 S HA -0.082 4.391 4.470 0.004 0.000 0.217 146 S C -0.090 174.513 174.600 0.005 0.000 0.999 146 S CA 1.244 59.444 58.200 0.001 0.000 0.914 146 S CB 0.930 64.135 63.200 0.008 0.000 0.782 146 S HN 0.115 8.416 8.310 -0.015 0.000 0.520 147 S N 1.378 117.079 115.700 0.000 0.000 2.707 147 S HA 0.236 4.713 4.470 0.011 0.000 0.303 147 S C -0.373 174.228 174.600 0.002 0.000 1.132 147 S CA 0.608 58.812 58.200 0.006 0.000 1.046 147 S CB 1.070 64.274 63.200 0.007 0.000 1.004 147 S HN -0.525 7.782 8.310 -0.005 0.000 0.483 148 G N 4.064 112.869 108.800 0.008 0.000 2.592 148 G HA2 -0.209 3.759 3.960 0.015 0.000 0.684 148 G HA3 -0.209 3.751 3.960 0.001 0.000 0.684 148 G C -2.386 172.508 174.900 -0.011 0.000 1.291 148 G CA -0.531 44.572 45.100 0.005 0.000 0.891 148 G HN -0.130 8.168 8.290 0.014 0.000 0.544 149 T N -4.406 110.143 114.554 -0.008 0.000 2.991 149 T HA 0.327 4.677 4.350 -0.000 0.000 0.303 149 T C -1.796 172.878 174.700 -0.044 0.000 1.015 149 T CA -1.000 61.078 62.100 -0.037 0.000 1.007 149 T CB 2.385 71.304 68.868 0.085 0.000 1.034 149 T HN -0.284 7.959 8.240 0.005 0.000 0.446 150 S N 3.571 119.166 115.700 -0.175 0.000 2.649 150 S HA 0.301 4.788 4.470 0.028 0.000 0.274 150 S C -2.236 172.224 174.600 -0.233 0.000 1.176 150 S CA -0.398 57.749 58.200 -0.089 0.000 0.988 150 S CB 1.422 64.592 63.200 -0.050 0.000 1.071 150 S HN 0.280 8.708 8.310 -0.324 -0.313 0.478 151 Y N 6.046 126.377 120.300 0.051 0.000 2.320 151 Y HA 0.291 4.885 4.550 0.073 0.000 0.334 151 Y C -0.811 175.127 175.900 0.062 0.000 1.055 151 Y CA -1.959 56.181 58.100 0.067 0.000 1.143 151 Y CB 0.616 39.122 38.460 0.077 0.000 1.193 151 Y HN 0.373 8.795 8.280 0.238 0.000 0.477 152 P HA -0.075 4.345 4.420 -0.000 0.000 0.239 152 P C 0.874 178.261 177.300 0.144 0.000 1.188 152 P CA 0.598 63.765 63.100 0.112 0.000 0.794 152 P CB 0.579 32.318 31.700 0.065 0.000 0.937 153 D N -2.517 118.005 120.400 0.204 0.000 3.324 153 D HA -0.285 4.355 4.640 -0.001 0.000 0.183 153 D C -0.781 175.699 176.300 0.300 0.000 1.646 153 D CA 1.742 55.855 54.000 0.188 0.000 2.139 153 D CB -1.205 39.656 40.800 0.102 0.000 1.346 153 D HN 0.534 8.904 8.370 -0.000 0.000 0.405 154 V N -4.512 115.542 119.914 0.232 0.000 2.904 154 V HA 0.246 4.767 4.120 0.349 -0.191 0.305 154 V C -0.141 175.987 176.094 0.057 0.000 1.067 154 V CA -2.065 60.369 62.300 0.223 0.000 1.044 154 V CB 0.828 32.708 31.823 0.095 0.000 1.050 154 V HN -0.544 7.667 8.190 0.163 0.077 0.475 155 L N 2.050 123.185 121.223 -0.148 0.000 2.416 155 L HA -0.027 3.520 4.340 -1.322 0.000 0.272 155 L C -0.568 176.027 176.870 -0.459 0.000 1.161 155 L CA 0.620 55.021 54.840 -0.731 0.000 0.845 155 L CB 0.920 42.524 42.059 -0.759 0.000 1.119 155 L HN -0.234 8.214 8.230 0.013 -0.210 0.464 156 K N 4.574 124.680 120.400 -0.491 0.000 2.208 156 K HA 0.807 5.127 4.320 -0.000 0.000 0.247 156 K C -1.425 174.913 176.600 -0.436 0.000 0.953 156 K CA -2.672 53.390 56.287 -0.376 0.000 0.837 156 K CB 2.774 35.129 32.500 -0.242 0.000 1.131 156 K HN -0.177 7.711 8.250 -0.604 0.000 0.431 157 c N -2.266 115.994 118.600 -0.565 0.000 2.802 157 c HA 1.059 5.629 4.570 -0.000 0.000 0.307 157 c C -2.202 171.610 174.090 -0.465 0.000 1.222 157 c CA -2.997 52.960 56.329 -0.620 0.000 1.580 157 c CB 3.122 45.256 42.510 -0.627 0.000 2.119 157 c HN 0.569 8.427 8.230 -0.620 0.000 0.479 158 L N -0.702 120.437 121.223 -0.140 0.000 2.505 158 L HA 0.466 4.923 4.340 0.194 0.000 0.266 158 L C -2.500 174.472 176.870 0.170 0.000 0.954 158 L CA -0.258 54.640 54.840 0.096 0.000 0.852 158 L CB 4.344 46.457 42.059 0.090 0.000 1.282 158 L HN 0.591 8.746 8.230 -0.126 0.000 0.403 159 K N 5.315 125.875 120.400 0.266 0.000 2.227 159 K HA 0.876 5.503 4.320 0.153 -0.215 0.280 159 K C -0.739 176.002 176.600 0.236 0.000 1.041 159 K CA -0.630 55.778 56.287 0.202 0.000 0.905 159 K CB 0.667 33.274 32.500 0.178 0.000 1.068 159 K HN 0.353 8.804 8.250 0.336 0.000 0.470 160 A N 3.844 126.739 122.820 0.124 0.000 2.574 160 A HA 0.633 4.974 4.320 0.034 0.000 0.297 160 A C -3.480 174.042 177.584 -0.104 0.000 1.062 160 A CA -2.454 49.590 52.037 0.012 0.000 0.686 160 A CB 3.052 22.056 19.000 0.006 0.000 1.285 160 A HN 0.641 8.836 8.150 0.075 0.000 0.403 161 P HA 0.608 5.169 4.420 -0.103 -0.203 0.284 161 P C -0.891 176.334 177.300 -0.126 0.000 1.258 161 P CA -1.498 61.509 63.100 -0.156 0.000 0.824 161 P CB 1.421 33.022 31.700 -0.165 0.000 1.038 162 I N 0.524 121.046 120.570 -0.080 0.000 2.648 162 I HA -0.157 4.169 4.170 0.063 -0.118 0.284 162 I C 0.235 176.337 176.117 -0.025 0.000 1.153 162 I CA 1.169 62.452 61.300 -0.029 0.000 1.426 162 I CB 0.016 37.928 38.000 -0.147 0.000 1.381 162 I HN -0.107 8.048 8.210 -0.091 0.000 0.571 163 L N 6.382 127.627 121.223 0.037 0.000 2.375 163 L HA 0.296 4.629 4.340 -0.011 0.000 0.268 163 L C -0.617 176.275 176.870 0.036 0.000 1.058 163 L CA -1.228 53.625 54.840 0.021 0.000 0.803 163 L CB 0.789 42.870 42.059 0.036 0.000 1.212 163 L HN 0.295 8.589 8.230 0.106 0.000 0.451 164 S N -0.275 115.436 115.700 0.019 0.000 2.568 164 S HA -0.128 4.349 4.470 0.012 0.000 0.282 164 S C 0.764 175.392 174.600 0.048 0.000 1.338 164 S CA -0.475 57.738 58.200 0.022 0.000 1.045 164 S CB 1.126 64.333 63.200 0.013 0.000 0.873 164 S HN 0.149 8.465 8.310 0.010 0.000 0.516 165 D N 4.794 125.223 120.400 0.049 0.000 2.149 165 D HA -0.233 4.407 4.640 -0.000 0.000 0.198 165 D C 2.078 178.415 176.300 0.060 0.000 0.990 165 D CA 3.646 57.686 54.000 0.066 0.000 0.839 165 D CB -0.766 40.070 40.800 0.059 0.000 0.948 165 D HN 0.721 9.112 8.370 0.035 0.000 0.460 166 S N -1.405 114.320 115.700 0.042 0.000 2.368 166 S HA -0.194 4.302 4.470 0.043 0.000 0.224 166 S C 1.841 176.465 174.600 0.040 0.000 1.029 166 S CA 3.208 61.431 58.200 0.038 0.000 0.988 166 S CB -0.525 62.691 63.200 0.026 0.000 0.838 166 S HN -0.022 8.294 8.310 0.035 0.014 0.462 167 S N 1.909 117.631 115.700 0.036 0.000 2.383 167 S HA -0.285 4.199 4.470 0.023 0.000 0.227 167 S C 1.910 176.539 174.600 0.049 0.000 1.026 167 S CA 2.832 61.051 58.200 0.031 0.000 0.981 167 S CB -0.028 63.185 63.200 0.022 0.000 0.818 167 S HN -0.426 7.904 8.310 0.033 0.000 0.472 168 c N 3.810 122.457 118.600 0.077 0.000 2.436 168 c HA -0.274 4.377 4.570 0.135 0.000 0.277 168 c C 2.146 176.330 174.090 0.157 0.000 1.241 168 c CA 2.965 59.369 56.329 0.124 0.000 1.721 168 c CB -1.956 40.629 42.510 0.126 0.000 2.043 168 c HN -0.149 8.125 8.230 0.073 0.000 0.472 169 K N -1.104 119.368 120.400 0.120 0.000 2.097 169 K HA -0.386 4.030 4.320 0.160 0.000 0.206 169 K C 2.229 178.890 176.600 0.102 0.000 1.049 169 K CA 3.342 59.703 56.287 0.124 0.000 0.933 169 K CB -0.327 32.227 32.500 0.091 0.000 0.717 169 K HN -0.045 8.265 8.250 0.100 0.000 0.442 170 S N -1.615 114.121 115.700 0.061 0.000 2.383 170 S HA -0.120 4.370 4.470 0.033 0.000 0.227 170 S C 1.827 176.423 174.600 -0.006 0.000 1.026 170 S CA 2.493 60.710 58.200 0.029 0.000 0.981 170 S CB -0.455 62.754 63.200 0.015 0.000 0.818 170 S HN -0.417 7.927 8.310 0.057 0.000 0.472 171 A N 0.718 123.516 122.820 -0.036 0.000 1.969 171 A HA -0.218 3.979 4.320 -0.206 0.000 0.218 171 A C -0.675 176.702 177.584 -0.345 0.000 1.169 171 A CA 2.330 54.237 52.037 -0.216 0.000 0.635 171 A CB 1.186 20.016 19.000 -0.283 0.000 0.810 171 A HN -0.420 7.733 8.150 0.006 0.000 0.445 172 Y N -5.215 115.121 120.300 0.059 0.000 2.584 172 Y HA 0.457 5.077 4.550 0.117 0.000 0.358 172 Y C -2.774 173.191 175.900 0.108 0.000 1.028 172 Y CA -3.846 54.322 58.100 0.115 0.000 1.148 172 Y CB -0.141 38.430 38.460 0.185 0.000 1.126 172 Y HN -0.621 7.728 8.280 0.164 0.029 0.658 173 P HA -0.076 4.509 4.420 0.113 -0.097 0.265 173 P C 0.717 178.094 177.300 0.130 0.000 1.193 173 P CA 0.949 64.124 63.100 0.124 0.000 0.765 173 P CB 0.256 32.001 31.700 0.075 0.000 0.823 174 G N 3.404 112.266 108.800 0.104 0.000 2.168 174 G HA2 -0.380 3.618 3.960 0.063 0.000 0.263 174 G HA3 -0.380 3.616 3.960 0.060 0.000 0.263 174 G C 0.055 175.004 174.900 0.081 0.000 0.977 174 G CA 0.889 46.035 45.100 0.076 0.000 0.659 174 G HN 0.576 8.925 8.290 0.099 0.000 0.533 175 Q N -2.185 117.701 119.800 0.144 0.000 2.245 175 Q HA 0.121 4.494 4.340 0.055 0.000 0.250 175 Q C -0.401 175.726 176.000 0.213 0.000 0.830 175 Q CA -0.127 55.766 55.803 0.150 0.000 0.950 175 Q CB 1.808 30.690 28.738 0.240 0.000 1.124 175 Q HN -0.558 7.774 8.270 0.180 0.046 0.502 176 I N 1.136 121.831 120.570 0.208 0.000 2.304 176 I HA 0.171 4.483 4.170 0.237 0.000 0.291 176 I C -0.343 175.853 176.117 0.132 0.000 1.018 176 I CA -2.333 59.081 61.300 0.191 0.000 1.260 176 I CB -1.257 36.842 38.000 0.164 0.000 1.390 176 I HN -0.277 8.047 8.210 0.190 0.000 0.475 177 T N 4.411 119.041 114.554 0.127 0.000 2.897 177 T HA 0.322 4.717 4.350 0.075 0.000 0.278 177 T C 0.927 175.682 174.700 0.093 0.000 0.981 177 T CA -1.692 60.462 62.100 0.091 0.000 0.973 177 T CB 1.775 70.689 68.868 0.076 0.000 1.092 177 T HN -0.205 8.127 8.240 0.153 0.000 0.543 178 S N -1.495 114.245 115.700 0.066 0.000 2.547 178 S HA -0.169 4.341 4.470 0.068 0.000 0.235 178 S C -0.076 174.568 174.600 0.072 0.000 0.980 178 S CA 2.642 60.877 58.200 0.059 0.000 0.941 178 S CB -0.502 62.713 63.200 0.026 0.000 0.763 178 S HN 0.384 8.725 8.310 0.053 0.000 0.532 179 N N 0.162 118.920 118.700 0.097 0.000 2.276 179 N HA 0.181 4.997 4.740 0.127 0.000 0.212 179 N C -1.673 173.963 175.510 0.210 0.000 1.127 179 N CA -0.223 52.917 53.050 0.151 0.000 0.834 179 N CB 0.998 39.592 38.487 0.179 0.000 1.014 179 N HN -0.696 7.667 8.380 0.094 0.073 0.491 180 M N -1.064 118.646 119.600 0.185 0.000 2.572 180 M HA 0.698 5.446 4.480 0.113 -0.200 0.299 180 M C -2.172 174.261 176.300 0.221 0.000 1.205 180 M CA -0.291 55.096 55.300 0.145 0.000 0.876 180 M CB 5.012 37.677 32.600 0.109 0.000 1.728 180 M HN -0.778 7.530 8.290 0.166 0.082 0.458 181 F N -4.405 115.589 119.950 0.074 0.000 2.643 181 F HA 0.627 5.181 4.527 0.046 0.000 0.314 181 F C -2.480 173.367 175.800 0.078 0.000 1.096 181 F CA -2.395 55.644 58.000 0.064 0.000 0.953 181 F CB 2.386 41.423 39.000 0.062 0.000 1.345 181 F HN 0.189 8.384 8.300 -0.173 0.000 0.468 182 c N -0.398 118.356 118.600 0.256 0.000 2.366 182 c HA 1.002 5.825 4.570 0.065 -0.214 0.345 182 c C -0.835 173.452 174.090 0.329 0.000 1.209 182 c CA -1.005 55.429 56.329 0.175 0.000 2.050 182 c CB 2.214 44.794 42.510 0.118 0.000 2.359 182 c HN 0.796 9.214 8.230 0.314 0.000 0.527 183 A N 2.861 125.857 122.820 0.295 0.000 2.530 183 A HA 0.582 5.083 4.320 0.094 -0.125 0.279 183 A C -2.517 175.123 177.584 0.094 0.000 1.109 183 A CA -0.262 51.866 52.037 0.151 0.000 0.763 183 A CB 2.577 21.594 19.000 0.028 0.000 1.257 183 A HN 0.361 8.718 8.150 0.345 0.000 0.424 184 Y N 2.693 123.027 120.300 0.057 0.000 2.385 184 Y HA 0.135 4.706 4.550 0.035 0.000 0.341 184 Y C 0.736 176.652 175.900 0.027 0.000 0.965 184 Y CA -0.696 57.426 58.100 0.037 0.000 1.180 184 Y CB 0.380 38.860 38.460 0.033 0.000 1.139 184 Y HN 0.224 8.599 8.280 0.158 0.000 0.502 185 L N 4.103 125.396 121.223 0.116 0.000 2.265 185 L HA -0.379 3.991 4.340 0.049 0.000 0.215 185 L C 1.118 178.030 176.870 0.070 0.000 1.117 185 L CA 2.478 57.358 54.840 0.066 0.000 0.782 185 L CB -0.417 41.661 42.059 0.032 0.000 0.914 185 L HN 0.475 8.759 8.230 0.089 0.000 0.441 186 E N -1.982 118.277 120.200 0.099 0.000 2.418 186 E HA -0.158 4.219 4.350 0.044 0.000 0.197 186 E C 0.743 177.374 176.600 0.052 0.000 1.026 186 E CA 0.280 56.718 56.400 0.064 0.000 0.862 186 E CB -0.501 29.234 29.700 0.058 0.000 0.799 186 E HN 0.022 8.432 8.360 0.139 0.034 0.518 187 G N 0.749 109.596 108.800 0.079 0.000 3.439 187 G HA2 -0.367 3.681 3.960 0.075 0.000 0.684 187 G HA3 -0.367 3.617 3.960 0.040 0.000 0.684 187 G C -1.060 173.862 174.900 0.038 0.000 1.005 187 G CA -0.134 45.002 45.100 0.060 0.000 0.837 187 G HN -0.571 7.724 8.290 0.115 0.064 0.470 188 K N 1.177 121.596 120.400 0.031 0.000 6.265 188 K HA -0.555 4.017 4.320 0.032 -0.233 0.828 188 K C -1.693 175.014 176.600 0.177 0.000 2.300 188 K CA 0.079 56.400 56.287 0.057 0.000 1.674 188 K CB 0.132 32.584 32.500 -0.081 0.000 2.471 188 K HN 0.155 8.447 8.250 0.070 0.000 0.229 189 D N 1.272 121.754 120.400 0.136 0.000 2.710 189 D HA 0.268 5.027 4.640 0.199 0.000 0.276 189 D C -1.757 174.616 176.300 0.121 0.000 1.267 189 D CA -0.646 53.445 54.000 0.152 0.000 0.772 189 D CB 3.884 44.755 40.800 0.117 0.000 1.299 189 D HN 0.058 8.487 8.370 0.099 0.000 0.421 190 S N -0.742 115.047 115.700 0.148 0.000 2.634 190 S HA 0.179 4.786 4.470 0.098 -0.079 0.261 190 S C -1.218 173.429 174.600 0.078 0.000 1.271 190 S CA -0.097 58.175 58.200 0.119 0.000 0.985 190 S CB 1.088 64.396 63.200 0.179 0.000 0.968 190 S HN 0.120 8.548 8.310 0.196 0.000 0.568 191 c N -1.913 116.737 118.600 0.084 0.000 3.293 191 c HA 0.079 4.693 4.570 0.074 0.000 0.362 191 c C -1.387 172.782 174.090 0.133 0.000 1.539 191 c CA -0.630 55.748 56.329 0.081 0.000 1.201 191 c CB 2.911 45.446 42.510 0.042 0.000 1.770 191 c HN 0.085 8.622 8.230 0.098 -0.247 0.440 192 Q N 1.897 121.787 119.800 0.151 0.000 2.283 192 Q HA -0.238 4.102 4.340 -0.000 0.000 0.301 192 Q C 1.029 177.225 176.000 0.326 0.000 1.063 192 Q CA 1.933 57.873 55.803 0.228 0.000 0.952 192 Q CB 0.534 29.422 28.738 0.249 0.000 1.166 192 Q HN 0.798 9.140 8.270 0.121 0.000 0.381 193 G N 6.157 115.158 108.800 0.335 0.000 2.217 193 G HA2 -0.377 3.798 3.960 0.358 0.000 0.246 193 G HA3 -0.377 3.902 3.960 0.531 0.000 0.246 193 G C 0.358 175.505 174.900 0.411 0.000 0.990 193 G CA 0.936 46.284 45.100 0.414 0.000 0.627 193 G HN 0.758 9.225 8.290 0.293 0.000 0.522 194 D N 0.796 121.367 120.400 0.285 0.000 2.348 194 D HA 0.031 4.824 4.640 0.255 0.000 0.211 194 D C 0.250 176.662 176.300 0.186 0.000 0.998 194 D CA 1.223 55.358 54.000 0.226 0.000 0.873 194 D CB 0.371 41.267 40.800 0.159 0.000 0.925 194 D HN -0.060 8.376 8.370 0.257 0.088 0.524 195 S N -1.087 114.721 115.700 0.181 0.000 2.558 195 S HA -0.537 4.156 4.470 0.151 -0.132 0.291 195 S C 1.001 175.621 174.600 0.034 0.000 1.306 195 S CA 2.620 60.899 58.200 0.131 0.000 1.056 195 S CB 0.240 63.550 63.200 0.183 0.000 0.836 195 S HN -0.379 8.007 8.310 0.212 0.051 0.504 196 G N 3.968 112.774 108.800 0.011 0.000 2.253 196 G HA2 -0.445 3.580 3.960 -0.020 0.000 0.251 196 G HA3 -0.445 3.611 3.960 -0.044 -0.122 0.251 196 G C -0.318 174.622 174.900 0.067 0.000 0.998 196 G CA 0.211 45.309 45.100 -0.004 0.000 0.621 196 G HN 0.659 8.973 8.290 0.039 0.000 0.524 197 G N 0.803 109.668 108.800 0.108 0.000 2.588 197 G HA2 0.394 4.434 3.960 0.133 0.000 0.281 197 G HA3 0.394 4.433 3.960 0.131 0.000 0.281 197 G C -2.674 172.313 174.900 0.145 0.000 1.236 197 G CA -2.051 43.128 45.100 0.131 0.000 0.969 197 G HN -0.433 7.838 8.290 0.114 0.087 0.504 198 P HA 0.250 4.755 4.420 0.142 0.000 0.282 198 P C -1.614 175.753 177.300 0.112 0.000 1.249 198 P CA -0.808 62.390 63.100 0.163 0.000 0.806 198 P CB 1.629 33.508 31.700 0.299 0.000 0.984 199 V N 1.980 121.937 119.914 0.070 0.000 2.349 199 V HA 0.319 4.595 4.120 -0.017 -0.167 0.284 199 V C -1.401 174.702 176.094 0.015 0.000 1.014 199 V CA -1.304 60.996 62.300 0.001 0.000 0.826 199 V CB 0.994 32.767 31.823 -0.084 0.000 1.009 199 V HN 0.043 8.285 8.190 0.086 0.000 0.431 200 V N 7.394 127.312 119.914 0.005 0.000 2.495 200 V HA 0.582 4.853 4.120 -0.070 -0.193 0.298 200 V C -1.411 174.668 176.094 -0.026 0.000 1.031 200 V CA -1.967 60.307 62.300 -0.043 0.000 0.871 200 V CB 2.639 34.409 31.823 -0.089 0.000 0.988 200 V HN 0.344 8.550 8.190 0.027 0.000 0.432 201 c N 6.507 125.079 118.600 -0.047 0.000 2.397 201 c HA 0.560 5.111 4.570 -0.030 0.000 0.325 201 c C 0.690 174.754 174.090 -0.044 0.000 1.201 201 c CA -1.433 54.869 56.329 -0.045 0.000 1.377 201 c CB 2.162 44.630 42.510 -0.070 0.000 2.038 201 c HN 0.478 8.672 8.230 -0.061 0.000 0.457 202 S N 4.738 120.421 115.700 -0.027 0.000 3.581 202 S HA -0.460 4.002 4.470 -0.014 0.000 0.354 202 S C -0.297 174.286 174.600 -0.029 0.000 1.059 202 S CA 1.437 59.622 58.200 -0.024 0.000 1.060 202 S CB -0.618 62.564 63.200 -0.030 0.000 0.908 202 S HN 0.879 9.178 8.310 -0.018 0.000 0.475 203 G N -4.709 104.071 108.800 -0.034 0.000 2.143 203 G HA2 -0.461 3.468 3.960 -0.052 0.000 0.249 203 G HA3 -0.461 3.479 3.960 -0.033 0.000 0.249 203 G C -1.059 173.788 174.900 -0.088 0.000 0.981 203 G CA 0.287 45.357 45.100 -0.050 0.000 0.665 203 G HN 0.153 8.399 8.290 -0.028 0.028 0.528 210 Q N 1.027 120.848 119.800 0.036 0.000 2.392 210 Q HA 0.239 4.619 4.340 0.067 0.000 0.219 210 Q C -0.322 175.843 176.000 0.276 0.000 0.895 210 Q CA 0.356 56.206 55.803 0.078 0.000 0.929 210 Q CB 2.609 31.318 28.738 -0.047 0.000 1.077 210 Q HN 0.335 8.616 8.270 0.019 0.000 0.532 211 G N -2.986 105.985 108.800 0.285 0.000 2.672 211 G HA2 0.632 5.093 3.960 0.421 0.000 0.292 211 G HA3 0.632 4.816 3.960 0.374 0.000 0.292 211 G C -3.208 171.808 174.900 0.194 0.000 1.375 211 G CA -0.739 44.566 45.100 0.341 0.000 0.890 211 G HN -0.450 7.949 8.290 0.182 0.000 0.476 212 I N -0.589 120.095 120.570 0.189 0.000 2.498 212 I HA 0.576 5.050 4.170 0.165 -0.205 0.290 212 I C -0.100 176.153 176.117 0.227 0.000 1.032 212 I CA -1.571 59.830 61.300 0.169 0.000 1.073 212 I CB 4.224 42.285 38.000 0.101 0.000 1.251 212 I HN -0.390 7.928 8.210 0.179 0.000 0.426 213 V N 7.271 127.338 119.914 0.254 0.000 2.509 213 V HA -0.296 3.924 4.120 0.165 0.000 0.297 213 V C -1.043 175.090 176.094 0.066 0.000 1.014 213 V CA 2.510 64.917 62.300 0.178 0.000 1.127 213 V CB -0.547 31.392 31.823 0.194 0.000 0.925 213 V HN 0.272 8.597 8.190 0.226 0.000 0.480 214 S N 7.694 123.340 115.700 -0.090 0.000 3.249 214 S HA 0.295 4.954 4.470 0.315 0.000 0.237 214 S C -1.637 173.089 174.600 0.210 0.000 1.007 214 S CA 0.576 58.859 58.200 0.138 0.000 0.811 214 S CB 2.925 66.201 63.200 0.126 0.000 0.832 214 S HN -0.095 7.989 8.310 -0.377 0.000 0.573 215 W N -4.688 116.462 121.300 -0.250 0.000 2.937 215 W HA 0.207 4.766 4.660 -0.169 0.000 0.360 215 W C -2.971 173.385 176.519 -0.272 0.000 1.215 215 W CA -0.515 56.692 57.345 -0.230 0.000 1.183 215 W CB 1.313 30.629 29.460 -0.239 0.000 1.458 215 W HN -0.225 7.683 8.180 -0.453 0.000 0.574 216 G N -3.331 105.524 108.800 0.092 0.000 2.466 216 G HA2 0.044 3.789 3.960 -0.359 0.000 0.291 216 G HA3 0.044 3.950 3.960 -0.089 0.000 0.291 216 G C -2.058 173.001 174.900 0.265 0.000 1.460 216 G CA 0.120 45.200 45.100 -0.034 0.000 0.791 216 G HN -0.084 8.396 8.290 0.318 0.000 0.505 220 c N 0.823 119.462 118.600 0.064 0.000 3.430 220 c HA 0.249 4.819 4.570 -0.000 0.000 0.268 220 c C -1.462 172.658 174.090 0.051 0.000 1.101 220 c CA -1.024 55.340 56.329 0.058 0.000 1.286 220 c CB -0.908 41.633 42.510 0.052 0.000 1.795 220 c HN 0.229 8.493 8.230 0.057 0.000 0.569 221 Q N -0.436 119.393 119.800 0.048 0.000 2.896 221 Q HA 0.103 4.460 4.340 0.028 0.000 0.241 221 Q C -1.200 174.814 176.000 0.024 0.000 0.999 221 Q CA -0.324 55.499 55.803 0.032 0.000 0.912 221 Q CB 2.472 31.230 28.738 0.032 0.000 2.012 221 Q HN 0.323 8.626 8.270 0.056 0.000 0.489 222 K N 4.178 124.586 120.400 0.014 0.000 2.489 222 K HA -0.323 4.147 4.320 0.018 -0.139 0.278 222 K C 0.415 177.002 176.600 -0.022 0.000 1.000 222 K CA 1.186 57.477 56.287 0.006 0.000 1.012 222 K CB -0.061 32.441 32.500 0.003 0.000 0.903 222 K HN 0.315 8.573 8.250 0.013 0.000 0.485 223 N N 2.278 120.962 118.700 -0.028 0.000 2.828 223 N HA -0.466 4.237 4.740 -0.061 0.000 0.248 223 N C -1.689 173.721 175.510 -0.168 0.000 1.044 223 N CA 1.722 54.726 53.050 -0.076 0.000 0.851 223 N CB -0.281 38.160 38.487 -0.077 0.000 1.136 223 N HN 0.642 8.912 8.380 -0.005 0.106 0.572 224 K N -2.644 117.684 120.400 -0.119 0.000 2.920 224 K HA 0.560 4.614 4.320 -0.443 0.000 0.175 224 K C -2.553 174.073 176.600 0.044 0.000 1.099 224 K CA -3.380 52.812 56.287 -0.158 0.000 0.939 224 K CB 0.105 32.566 32.500 -0.064 0.000 1.148 224 K HN -0.703 7.462 8.250 -0.050 0.055 0.613 225 P HA 0.001 4.479 4.420 0.097 0.000 0.275 225 P C -0.328 177.018 177.300 0.075 0.000 1.266 225 P CA -0.581 62.581 63.100 0.104 0.000 0.793 225 P CB 1.167 32.922 31.700 0.090 0.000 1.074 226 G N -2.367 106.446 108.800 0.021 0.000 2.491 226 G HA2 0.251 4.010 3.960 -0.334 0.000 0.242 226 G HA3 0.251 4.158 3.960 -0.201 -0.068 0.242 226 G C -1.512 173.061 174.900 -0.545 0.000 1.266 226 G CA -0.440 44.506 45.100 -0.258 0.000 0.844 226 G HN -0.287 8.066 8.290 0.105 0.000 0.571 227 V N 2.590 121.853 119.914 -1.086 0.000 2.459 227 V HA 0.512 4.315 4.120 -0.800 -0.163 0.295 227 V C -1.113 174.218 176.094 -1.271 0.000 1.029 227 V CA -1.182 60.409 62.300 -1.181 0.000 0.874 227 V CB 2.130 32.819 31.823 -1.889 0.000 0.985 227 V HN 0.221 7.750 8.190 -1.102 0.000 0.438 228 Y N 5.024 124.924 120.300 -0.667 0.000 2.477 228 Y HA 0.567 5.032 4.550 -0.388 -0.148 0.347 228 Y C 0.065 175.685 175.900 -0.468 0.000 0.981 228 Y CA -2.073 55.648 58.100 -0.633 0.000 1.033 228 Y CB 4.204 42.009 38.460 -1.092 0.000 1.245 228 Y HN 0.819 8.698 8.280 -0.668 0.000 0.455 229 T N 5.340 119.871 114.554 -0.040 0.000 2.870 229 T HA -0.027 4.535 4.350 0.113 -0.144 0.300 229 T C -0.725 174.123 174.700 0.247 0.000 0.989 229 T CA 1.451 63.608 62.100 0.094 0.000 1.139 229 T CB 0.614 69.519 68.868 0.061 0.000 0.920 229 T HN 0.288 8.527 8.240 -0.002 0.000 0.537 230 K N 8.034 128.669 120.400 0.392 0.000 2.183 230 K HA 0.084 4.825 4.320 0.701 0.000 0.272 230 K C 0.852 177.715 176.600 0.438 0.000 1.113 230 K CA -0.690 55.900 56.287 0.505 0.000 0.949 230 K CB -0.103 32.640 32.500 0.405 0.000 1.365 230 K HN 0.051 8.521 8.250 0.365 0.000 0.420 231 V N 5.630 125.781 119.914 0.396 0.000 2.392 231 V HA -0.465 3.955 4.120 0.499 0.000 0.249 231 V C 1.561 177.827 176.094 0.287 0.000 1.059 231 V CA 3.504 66.027 62.300 0.371 0.000 1.051 231 V CB -0.796 31.172 31.823 0.242 0.000 0.658 231 V HN 0.262 8.695 8.190 0.406 0.000 0.455 232 c N -2.997 115.699 118.600 0.160 0.000 2.410 232 c HA -0.263 4.353 4.570 0.077 0.000 0.281 232 c C 1.954 176.056 174.090 0.019 0.000 1.318 232 c CA 1.817 58.189 56.329 0.071 0.000 1.776 232 c CB -2.007 40.514 42.510 0.017 0.000 1.942 232 c HN 0.532 8.835 8.230 0.156 0.020 0.508 233 N N 1.171 119.833 118.700 -0.063 0.000 2.512 233 N HA -0.154 4.466 4.740 -0.200 0.000 0.183 233 N C 0.599 175.848 175.510 -0.436 0.000 1.073 233 N CA 1.653 54.515 53.050 -0.313 0.000 0.911 233 N CB -0.372 37.795 38.487 -0.533 0.000 0.964 233 N HN -0.374 7.975 8.380 0.005 0.034 0.447 234 Y N -4.795 115.583 120.300 0.130 0.000 2.481 234 Y HA 0.147 4.851 4.550 0.257 0.000 0.247 234 Y C 0.116 176.169 175.900 0.255 0.000 1.151 234 Y CA -0.404 57.839 58.100 0.237 0.000 1.238 234 Y CB 0.262 38.893 38.460 0.285 0.000 1.179 234 Y HN -0.309 7.854 8.280 0.116 0.187 0.524 235 V N 1.317 121.365 119.914 0.223 0.000 2.332 235 V HA -0.654 3.558 4.120 0.154 0.000 0.248 235 V C 1.519 177.683 176.094 0.116 0.000 1.055 235 V CA 5.254 67.641 62.300 0.145 0.000 1.038 235 V CB -0.413 31.455 31.823 0.076 0.000 0.651 235 V HN -0.782 7.503 8.190 0.157 0.000 0.450 236 S N -0.482 115.291 115.700 0.122 0.000 2.368 236 S HA -0.255 4.215 4.470 -0.000 0.000 0.225 236 S C 1.655 176.338 174.600 0.137 0.000 1.030 236 S CA 3.722 61.980 58.200 0.096 0.000 0.999 236 S CB -0.730 62.522 63.200 0.088 0.000 0.844 236 S HN 0.235 8.616 8.310 0.117 0.000 0.459 237 W N 2.936 124.272 121.300 0.060 0.000 2.358 237 W HA -0.273 4.402 4.660 0.025 0.000 0.303 237 W C 1.078 177.602 176.519 0.008 0.000 1.208 237 W CA 2.874 60.257 57.345 0.063 0.000 1.274 237 W CB -0.223 29.348 29.460 0.184 0.000 1.138 237 W HN -0.389 8.044 8.180 0.421 0.000 0.515 238 I N -0.371 120.153 120.570 -0.077 0.000 2.127 238 I HA -0.708 2.980 4.170 -0.804 0.000 0.241 238 I C 1.836 177.695 176.117 -0.430 0.000 1.075 238 I CA 4.724 65.782 61.300 -0.403 0.000 1.334 238 I CB -0.324 37.610 38.000 -0.109 0.000 1.040 238 I HN 0.158 8.515 8.210 0.245 0.000 0.405 239 K N -1.168 119.097 120.400 -0.225 0.000 2.057 239 K HA -0.406 3.765 4.320 -0.249 0.000 0.207 239 K C 2.807 179.260 176.600 -0.245 0.000 1.049 239 K CA 3.726 59.885 56.287 -0.213 0.000 0.931 239 K CB -0.323 32.113 32.500 -0.107 0.000 0.714 239 K HN -0.260 7.915 8.250 -0.125 0.000 0.440 240 Q N -1.987 117.686 119.800 -0.212 0.000 2.119 240 Q HA -0.280 3.972 4.340 -0.148 0.000 0.201 240 Q C 2.511 178.345 176.000 -0.276 0.000 0.972 240 Q CA 3.151 58.845 55.803 -0.181 0.000 0.847 240 Q CB 0.134 28.813 28.738 -0.100 0.000 0.903 240 Q HN -0.252 7.912 8.270 -0.178 0.000 0.433 241 T N 2.559 116.830 114.554 -0.471 0.000 2.708 241 T HA -0.324 3.798 4.350 -0.380 0.000 0.266 241 T C 2.471 176.831 174.700 -0.567 0.000 1.037 241 T CA 4.567 66.335 62.100 -0.554 0.000 1.146 241 T CB -0.090 68.213 68.868 -0.940 0.000 0.865 241 T HN -0.298 7.611 8.240 -0.550 0.000 0.435 242 I N 1.457 121.568 120.570 -0.766 0.000 2.226 242 I HA -0.436 2.991 4.170 -1.238 0.000 0.245 242 I C 1.784 177.701 176.117 -0.333 0.000 1.100 242 I CA 3.624 64.405 61.300 -0.865 0.000 1.374 242 I CB -0.234 37.183 38.000 -0.972 0.000 1.057 242 I HN -0.175 7.580 8.210 -0.760 0.000 0.413 243 A N -1.932 120.740 122.820 -0.246 0.000 2.125 243 A HA -0.211 4.057 4.320 -0.088 0.000 0.219 243 A C 0.296 177.844 177.584 -0.061 0.000 1.156 243 A CA 2.433 54.400 52.037 -0.117 0.000 0.671 243 A CB -0.330 18.608 19.000 -0.103 0.000 0.794 243 A HN -0.207 7.755 8.150 -0.290 0.014 0.459 244 S N -3.956 111.701 115.700 -0.071 0.000 2.629 244 S HA 0.198 4.666 4.470 -0.004 0.000 0.236 244 S C -0.665 173.953 174.600 0.030 0.000 1.010 244 S CA -0.178 58.010 58.200 -0.019 0.000 0.981 244 S CB 0.455 63.631 63.200 -0.040 0.000 0.919 244 S HN -0.176 8.003 8.310 -0.125 0.056 0.514 245 N N 0.000 118.752 118.700 0.087 0.000 1.763 245 N HA 0.000 4.832 4.740 0.154 0.000 0.220 245 N CA 0.000 53.184 53.050 0.223 0.000 0.885 245 N CB 0.000 38.682 38.487 0.325 0.000 1.341 245 N HN 0.000 8.416 8.380 0.059 0.000 0.667