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 1s82_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 4.177 4.170 0.011 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 16 I CB 0.000 37.947 38.000 -0.088 0.000 1.214 17 V N 6.366 126.274 119.914 -0.011 0.000 2.472 17 V HA 0.213 4.469 4.120 -0.035 -0.156 0.290 17 V C 0.546 176.635 176.094 -0.009 0.000 1.037 17 V CA -1.394 60.896 62.300 -0.016 0.000 0.908 17 V CB 1.269 33.090 31.823 -0.005 0.000 0.985 17 V HN 0.859 9.060 8.190 0.017 0.000 0.454 18 G N 6.538 115.326 108.800 -0.019 0.000 2.148 18 G HA2 -0.380 3.565 3.960 -0.025 0.000 0.254 18 G HA3 -0.380 3.757 3.960 -0.038 -0.200 0.254 18 G C -0.750 174.149 174.900 -0.001 0.000 0.981 18 G CA 0.383 45.469 45.100 -0.023 0.000 0.670 18 G HN 0.772 9.048 8.290 -0.025 0.000 0.528 19 G N -0.654 108.145 108.800 -0.002 0.000 2.641 19 G HA2 0.451 4.456 3.960 0.075 0.000 0.239 19 G HA3 0.451 4.439 3.960 -0.115 -0.098 0.239 19 G C -1.921 173.028 174.900 0.081 0.000 1.402 19 G CA -1.465 43.633 45.100 -0.003 0.000 1.046 19 G HN -0.472 7.762 8.290 -0.025 0.041 0.565 20 Y N -6.843 113.439 120.300 -0.030 0.000 2.597 20 Y HA 0.334 4.869 4.550 -0.024 0.000 0.340 20 Y C -1.970 173.915 175.900 -0.026 0.000 1.097 20 Y CA -2.355 55.730 58.100 -0.025 0.000 1.037 20 Y CB 1.461 39.908 38.460 -0.021 0.000 1.305 20 Y HN 0.428 8.388 8.280 -0.533 0.000 0.463 21 T N 3.906 118.521 114.554 0.102 0.000 2.799 21 T HA 0.008 4.448 4.350 -0.058 -0.125 0.296 21 T C 0.090 174.869 174.700 0.132 0.000 0.947 21 T CA 1.020 63.153 62.100 0.056 0.000 1.141 21 T CB -0.339 68.594 68.868 0.108 0.000 0.891 21 T HN 0.028 8.374 8.240 0.177 0.000 0.533 22 c N 7.534 126.137 118.600 0.006 0.000 2.665 22 c HA -0.209 4.425 4.570 0.108 0.000 0.416 22 c C 0.661 174.777 174.090 0.042 0.000 1.305 22 c CA -0.165 56.183 56.329 0.032 0.000 1.903 22 c CB -0.351 42.113 42.510 -0.076 0.000 2.704 22 c HN 0.169 8.352 8.230 -0.079 0.000 0.629 23 A N 3.241 126.064 122.820 0.005 0.000 2.561 23 A HA -0.115 4.141 4.320 -0.107 0.000 0.234 23 A C -0.412 176.972 177.584 -0.334 0.000 1.055 23 A CA 0.388 52.356 52.037 -0.115 0.000 0.756 23 A CB 0.782 19.750 19.000 -0.053 0.000 0.986 23 A HN 0.310 8.506 8.150 0.077 0.000 0.505 24 A N 3.637 126.131 122.820 -0.542 0.000 2.548 24 A HA -0.307 3.113 4.320 -1.500 0.000 0.247 24 A C -0.202 177.214 177.584 -0.280 0.000 1.067 24 A CA 0.455 52.060 52.037 -0.721 0.000 0.757 24 A CB -0.071 18.665 19.000 -0.440 0.000 0.996 24 A HN 0.156 8.069 8.150 -0.395 0.000 0.504 25 N N -1.056 117.542 118.700 -0.169 0.000 2.753 25 N HA -0.439 4.291 4.740 -0.016 0.000 0.251 25 N C 0.473 175.936 175.510 -0.080 0.000 1.097 25 N CA 1.673 54.686 53.050 -0.061 0.000 0.786 25 N CB -1.077 37.396 38.487 -0.023 0.000 1.137 25 N HN 0.650 8.937 8.380 -0.154 0.000 0.566 26 S N -1.120 114.517 115.700 -0.106 0.000 2.607 26 S HA -0.063 4.376 4.470 -0.052 0.000 0.224 26 S C -0.322 174.210 174.600 -0.112 0.000 0.969 26 S CA 2.384 60.536 58.200 -0.079 0.000 0.927 26 S CB 0.255 63.422 63.200 -0.056 0.000 0.772 26 S HN -0.352 7.824 8.310 -0.142 0.048 0.533 27 I N 2.312 122.755 120.570 -0.211 0.000 2.859 27 I HA 0.409 4.269 4.170 -0.516 0.000 0.296 27 I C -1.592 174.197 176.117 -0.547 0.000 1.300 27 I CA -4.036 56.974 61.300 -0.484 0.000 1.020 27 I CB -1.083 36.622 38.000 -0.492 0.000 1.823 27 I HN -0.302 7.738 8.210 -0.174 0.066 0.599 28 P HA 0.073 4.546 4.420 -0.072 -0.096 0.230 28 P C 0.582 177.853 177.300 -0.050 0.000 1.158 28 P CA 1.662 64.699 63.100 -0.105 0.000 0.769 28 P CB -0.244 31.460 31.700 0.007 0.000 0.807 29 Y N -5.306 115.027 120.300 0.055 0.000 2.523 29 Y HA 0.383 5.104 4.550 0.069 -0.129 0.279 29 Y C -0.264 175.682 175.900 0.078 0.000 1.139 29 Y CA -2.785 55.353 58.100 0.063 0.000 1.296 29 Y CB -1.325 37.164 38.460 0.050 0.000 1.045 29 Y HN -0.386 7.399 8.280 -0.742 0.049 0.538 30 Q N 2.787 122.466 119.800 -0.203 0.000 2.289 30 Q HA 0.148 4.704 4.340 0.120 -0.144 0.273 30 Q C -0.062 176.035 176.000 0.161 0.000 1.029 30 Q CA 0.178 55.978 55.803 -0.005 0.000 0.896 30 Q CB 0.545 29.180 28.738 -0.171 0.000 1.182 30 Q HN -0.548 7.221 8.270 -0.569 0.160 0.385 31 V N 0.044 120.091 119.914 0.222 0.000 2.919 31 V HA 0.768 5.142 4.120 0.231 -0.116 0.316 31 V C -1.632 174.641 176.094 0.298 0.000 1.077 31 V CA -3.559 58.874 62.300 0.220 0.000 0.977 31 V CB 3.296 35.191 31.823 0.120 0.000 1.039 31 V HN 0.459 8.776 8.190 0.211 0.000 0.441 32 S N 1.134 116.903 115.700 0.115 0.000 2.451 32 S HA 0.403 5.099 4.470 0.191 -0.111 0.301 32 S C -0.560 173.927 174.600 -0.189 0.000 1.116 32 S CA -2.014 56.171 58.200 -0.025 0.000 1.093 32 S CB 1.503 64.456 63.200 -0.412 0.000 1.017 32 S HN 0.173 8.502 8.310 0.033 0.000 0.482 33 L N 6.635 127.633 121.223 -0.374 0.000 2.276 33 L HA 0.407 4.685 4.340 -0.307 -0.122 0.286 33 L C -1.420 175.053 176.870 -0.662 0.000 1.061 33 L CA -0.656 53.853 54.840 -0.552 0.000 0.807 33 L CB 0.247 41.799 42.059 -0.845 0.000 1.177 33 L HN 0.793 8.774 8.230 -0.414 0.000 0.429 38 G N 3.724 112.488 108.800 -0.060 0.000 2.336 38 G HA2 -0.272 3.650 3.960 -0.063 0.000 0.233 38 G HA3 -0.272 3.650 3.960 -0.063 0.000 0.233 38 G C -1.108 173.757 174.900 -0.058 0.000 1.053 38 G CA 0.189 45.252 45.100 -0.062 0.000 0.625 38 G HN -0.052 8.452 8.290 -0.068 -0.255 0.511 39 S N 0.101 115.778 115.700 -0.039 0.000 2.638 39 S HA 0.171 4.600 4.470 -0.069 0.000 0.274 39 S C -1.695 172.896 174.600 -0.015 0.000 1.157 39 S CA -1.612 56.564 58.200 -0.039 0.000 0.826 39 S CB 2.334 65.513 63.200 -0.035 0.000 1.139 39 S HN -0.825 7.299 8.310 -0.012 0.178 0.474 40 H N 2.911 121.899 119.070 -0.138 0.000 3.094 40 H HA -0.327 4.235 4.556 -0.265 -0.166 0.320 40 H C -0.314 174.986 175.328 -0.047 0.000 1.000 40 H CA 1.701 57.638 56.048 -0.186 0.000 1.413 40 H CB -0.178 29.423 29.762 -0.269 0.000 1.405 40 H HN 0.553 8.834 8.280 0.002 0.000 0.586 41 F N 1.287 120.765 119.950 -0.787 0.000 2.876 41 F HA 0.325 4.664 4.527 -0.314 0.000 0.344 41 F C -2.096 173.451 175.800 -0.422 0.000 1.029 41 F CA -0.416 57.304 58.000 -0.466 0.000 1.154 41 F CB 1.837 40.681 39.000 -0.259 0.000 1.040 41 F HN 0.030 7.509 8.300 -1.369 0.000 0.576 42 c N -1.395 116.443 118.600 -1.269 0.000 3.311 42 c HA 0.409 4.890 4.570 -0.227 -0.047 0.325 42 c C -1.511 172.354 174.090 -0.374 0.000 1.352 42 c CA -0.262 55.699 56.329 -0.613 0.000 1.308 42 c CB 4.103 46.296 42.510 -0.528 0.000 1.619 42 c HN -0.740 6.411 8.230 -1.798 0.000 0.469 43 G N -0.835 107.957 108.800 -0.013 0.000 2.531 43 G HA2 0.734 4.992 3.960 0.241 0.000 0.313 43 G HA3 0.734 4.812 3.960 0.197 0.000 0.313 43 G C -2.341 172.578 174.900 0.032 0.000 1.238 43 G CA -1.399 43.779 45.100 0.131 0.000 0.994 43 G HN 0.642 8.932 8.290 -0.000 0.000 0.493 44 G N -3.953 104.905 108.800 0.097 0.000 2.550 44 G HA2 0.445 4.744 3.960 0.082 0.000 0.293 44 G HA3 0.445 4.445 3.960 0.067 0.000 0.293 44 G C -2.870 172.124 174.900 0.155 0.000 1.402 44 G CA 0.231 45.388 45.100 0.094 0.000 0.784 44 G HN -0.534 7.852 8.290 0.161 0.000 0.482 45 S N -0.592 115.204 115.700 0.161 0.000 2.594 45 S HA 0.750 5.601 4.470 0.300 -0.201 0.296 45 S C -1.304 173.405 174.600 0.182 0.000 1.124 45 S CA -0.912 57.417 58.200 0.214 0.000 1.011 45 S CB 3.347 66.650 63.200 0.172 0.000 1.016 45 S HN 0.473 8.863 8.310 0.133 0.000 0.485 46 L N 6.911 128.258 121.223 0.208 0.000 2.433 46 L HA 0.062 4.624 4.340 0.161 -0.125 0.275 46 L C -0.592 176.367 176.870 0.148 0.000 1.128 46 L CA 0.321 55.265 54.840 0.174 0.000 0.875 46 L CB 0.550 42.711 42.059 0.170 0.000 1.171 46 L HN 0.546 8.826 8.230 0.268 0.111 0.463 47 I N 0.237 120.889 120.570 0.136 0.000 4.227 47 I HA 0.527 4.886 4.170 0.062 -0.152 0.334 47 I C -1.156 175.020 176.117 0.099 0.000 1.341 47 I CA -0.926 60.429 61.300 0.093 0.000 1.123 47 I CB 1.508 39.548 38.000 0.067 0.000 1.097 47 I HN 0.332 8.643 8.210 0.168 0.000 0.399 48 N N -0.135 118.657 118.700 0.153 0.000 2.710 48 N HA 0.123 4.933 4.740 0.117 0.000 0.257 48 N C -0.273 175.335 175.510 0.163 0.000 1.327 48 N CA -0.227 52.923 53.050 0.167 0.000 0.861 48 N CB 3.042 41.681 38.487 0.252 0.000 1.532 48 N HN -0.816 7.671 8.380 0.179 0.000 0.499 49 S N 1.632 117.407 115.700 0.125 0.000 2.420 49 S HA -0.369 4.147 4.470 0.078 0.000 0.237 49 S C 0.703 175.338 174.600 0.059 0.000 1.023 49 S CA 2.689 60.940 58.200 0.084 0.000 0.991 49 S CB -0.036 63.202 63.200 0.063 0.000 0.792 49 S HN 0.671 9.051 8.310 0.116 0.000 0.488 50 Q N -2.023 117.824 119.800 0.078 0.000 2.247 50 Q HA 0.245 4.506 4.340 -0.132 0.000 0.211 50 Q C -1.297 174.538 176.000 -0.275 0.000 0.861 50 Q CA -0.129 55.607 55.803 -0.111 0.000 0.949 50 Q CB 1.922 30.559 28.738 -0.167 0.000 1.115 50 Q HN -0.054 8.671 8.270 0.185 -0.344 0.507 51 W N -1.786 119.521 121.300 0.012 0.000 2.957 51 W HA 0.649 5.542 4.660 0.008 -0.229 0.336 51 W C -1.566 174.967 176.519 0.024 0.000 1.087 51 W CA -0.913 56.437 57.345 0.008 0.000 1.235 51 W CB 3.687 33.139 29.460 -0.014 0.000 1.399 51 W HN -0.175 8.044 8.180 0.285 0.132 0.480 52 V N 2.128 122.200 119.914 0.264 0.000 2.513 52 V HA 0.723 5.141 4.120 0.179 -0.191 0.299 52 V C -1.809 174.408 176.094 0.205 0.000 1.035 52 V CA -1.803 60.611 62.300 0.189 0.000 0.889 52 V CB 3.416 35.309 31.823 0.116 0.000 0.988 52 V HN 0.934 9.272 8.190 0.246 0.000 0.440 53 V N 6.484 126.496 119.914 0.162 0.000 2.483 53 V HA 0.878 5.286 4.120 0.174 -0.184 0.295 53 V C -1.951 174.207 176.094 0.107 0.000 1.035 53 V CA -2.473 59.914 62.300 0.145 0.000 0.896 53 V CB 2.313 34.214 31.823 0.130 0.000 0.986 53 V HN 0.740 9.020 8.190 0.149 0.000 0.447 54 S N 6.529 122.279 115.700 0.084 0.000 2.790 54 S HA 0.481 5.194 4.470 0.036 -0.221 0.292 54 S C -2.060 172.528 174.600 -0.019 0.000 1.197 54 S CA -2.012 56.206 58.200 0.030 0.000 0.851 54 S CB 2.875 66.081 63.200 0.010 0.000 1.217 54 S HN 0.557 8.931 8.310 0.106 0.000 0.526 55 A N 0.085 122.850 122.820 -0.092 0.000 2.301 55 A HA 0.392 4.837 4.320 -0.129 -0.202 0.298 55 A C 0.910 178.338 177.584 -0.260 0.000 1.185 55 A CA -1.269 50.666 52.037 -0.171 0.000 0.830 55 A CB 1.082 19.930 19.000 -0.253 0.000 1.112 55 A HN 0.243 8.329 8.150 -0.106 0.000 0.508 56 A N 5.854 128.415 122.820 -0.432 0.000 1.978 56 A HA -0.267 3.850 4.320 -0.337 0.000 0.220 56 A C 1.639 178.888 177.584 -0.559 0.000 1.170 56 A CA 3.047 54.668 52.037 -0.693 0.000 0.636 56 A CB -0.679 17.380 19.000 -1.570 0.000 0.810 56 A HN 0.719 8.617 8.150 -0.439 -0.011 0.448 57 H N -4.480 114.364 119.070 -0.376 0.000 2.545 57 H HA -0.098 4.564 4.556 0.178 0.000 0.282 57 H C 0.484 175.880 175.328 0.113 0.000 1.020 57 H CA 2.215 58.298 56.048 0.059 0.000 1.243 57 H CB -0.643 29.256 29.762 0.229 0.000 1.377 57 H HN -0.022 8.425 8.280 -0.264 -0.326 0.581 58 c N -1.707 116.758 118.600 -0.224 0.000 2.576 58 c HA -0.037 4.599 4.570 0.109 0.000 0.267 58 c C 0.358 174.540 174.090 0.153 0.000 1.364 58 c CA -0.373 55.965 56.329 0.015 0.000 1.723 58 c CB -2.135 40.343 42.510 -0.055 0.000 1.778 58 c HN -0.334 7.526 8.230 -0.329 0.173 0.572 59 Y N 3.071 123.373 120.300 0.004 0.000 2.810 59 Y HA -0.283 4.285 4.550 0.029 0.000 0.332 59 Y C -0.725 175.160 175.900 -0.025 0.000 1.243 59 Y CA 1.909 60.015 58.100 0.010 0.000 1.537 59 Y CB 0.342 38.802 38.460 0.001 0.000 1.265 59 Y HN -0.390 7.814 8.280 0.168 0.177 0.572 60 K N 7.785 127.621 120.400 -0.939 0.000 2.477 60 K HA 0.203 4.086 4.320 -0.729 0.000 0.255 60 K C -1.200 174.764 176.600 -1.061 0.000 0.952 60 K CA -1.044 54.708 56.287 -0.892 0.000 0.826 60 K CB 2.078 34.215 32.500 -0.605 0.000 1.331 60 K HN 0.007 7.705 8.250 -0.921 0.000 0.437 61 S N -0.548 114.785 115.700 -0.611 0.000 2.453 61 S HA -0.207 4.108 4.470 -0.257 0.000 0.231 61 S C -0.371 174.118 174.600 -0.184 0.000 1.005 61 S CA 1.800 59.832 58.200 -0.280 0.000 0.949 61 S CB 0.420 63.592 63.200 -0.048 0.000 0.774 61 S HN 0.277 8.335 8.310 -0.421 0.000 0.510 62 R N -0.363 120.016 120.500 -0.202 0.000 2.561 62 R HA 0.231 4.510 4.340 -0.101 0.000 0.297 62 R C -2.115 174.105 176.300 -0.135 0.000 0.969 62 R CA -0.319 55.701 56.100 -0.134 0.000 0.879 62 R CB 2.534 32.773 30.300 -0.102 0.000 1.178 62 R HN -0.354 7.734 8.270 -0.261 0.026 0.445 63 I N 0.639 121.165 120.570 -0.074 0.000 2.644 63 I HA 0.124 4.320 4.170 0.043 0.000 0.291 63 I C -2.361 173.739 176.117 -0.029 0.000 1.180 63 I CA -0.773 60.524 61.300 -0.005 0.000 1.040 63 I CB 4.038 42.061 38.000 0.038 0.000 1.255 63 I HN 0.321 8.490 8.210 -0.068 0.000 0.422 64 Q N 6.338 126.113 119.800 -0.042 0.000 2.314 64 Q HA 0.329 4.633 4.340 -0.061 0.000 0.259 64 Q C -1.511 174.419 176.000 -0.118 0.000 0.951 64 Q CA -1.367 54.385 55.803 -0.086 0.000 0.909 64 Q CB 2.436 31.094 28.738 -0.134 0.000 1.236 64 Q HN 0.606 8.867 8.270 -0.015 0.000 0.444 65 V N 8.109 127.974 119.914 -0.081 0.000 2.498 65 V HA 0.098 4.278 4.120 -0.101 -0.120 0.279 65 V C -0.848 175.206 176.094 -0.067 0.000 1.048 65 V CA -0.095 62.162 62.300 -0.071 0.000 0.967 65 V CB 0.176 31.986 31.823 -0.022 0.000 0.988 65 V HN 0.587 8.746 8.190 -0.051 0.000 0.473 66 R N 6.539 126.980 120.500 -0.098 0.000 2.320 66 R HA 0.517 5.095 4.340 0.140 -0.154 0.319 66 R C -0.965 175.383 176.300 0.079 0.000 0.969 66 R CA -1.175 54.899 56.100 -0.042 0.000 0.857 66 R CB 1.131 31.219 30.300 -0.352 0.000 1.160 66 R HN 0.745 8.946 8.270 -0.116 0.000 0.491 70 E N -1.343 118.995 120.200 0.229 0.000 2.366 70 E HA 0.010 4.486 4.350 0.211 0.000 0.266 70 E C -1.449 175.410 176.600 0.431 0.000 1.051 70 E CA 0.016 56.581 56.400 0.275 0.000 0.884 70 E CB 0.963 30.755 29.700 0.152 0.000 1.006 70 E HN -0.430 8.037 8.360 0.242 0.038 0.417 71 H N 3.268 122.501 119.070 0.272 0.000 2.067 71 H HA 0.065 4.829 4.556 0.347 0.000 0.220 71 H C -0.987 174.558 175.328 0.360 0.000 0.883 71 H CA 1.669 57.892 56.048 0.291 0.000 1.042 71 H CB 3.204 33.046 29.762 0.134 0.000 1.305 71 H HN -0.213 8.423 8.280 0.306 -0.173 0.430 72 N N 0.712 119.469 118.700 0.095 0.000 2.439 72 N HA 0.098 5.034 4.740 -0.023 -0.209 0.243 72 N C 1.880 177.383 175.510 -0.012 0.000 1.088 72 N CA -0.846 52.215 53.050 0.019 0.000 0.940 72 N CB -0.165 38.344 38.487 0.037 0.000 1.180 72 N HN -0.812 8.275 8.380 0.204 -0.585 0.505 73 I N 0.844 121.315 120.570 -0.165 0.000 3.176 73 I HA -0.164 4.155 4.170 -0.249 -0.299 0.275 73 I C -0.417 175.610 176.117 -0.150 0.000 1.298 73 I CA 1.738 62.849 61.300 -0.314 0.000 1.445 73 I CB -0.516 37.033 38.000 -0.752 0.000 1.075 73 I HN 0.207 8.324 8.210 -0.155 0.000 0.482 74 D N -2.313 118.042 120.400 -0.074 0.000 2.369 74 D HA 0.143 4.763 4.640 -0.034 0.000 0.211 74 D C -0.717 175.585 176.300 0.004 0.000 1.077 74 D CA 0.319 54.301 54.000 -0.030 0.000 0.842 74 D CB 1.774 42.562 40.800 -0.020 0.000 0.947 74 D HN -0.241 8.298 8.370 -0.063 -0.207 0.509 75 V N -0.627 119.298 119.914 0.017 0.000 2.686 75 V HA 0.079 4.216 4.120 0.027 0.000 0.306 75 V C -1.635 174.485 176.094 0.043 0.000 1.065 75 V CA -1.414 60.904 62.300 0.030 0.000 0.894 75 V CB 3.892 35.734 31.823 0.031 0.000 1.004 75 V HN -0.701 7.452 8.190 0.011 0.043 0.424 76 L N 5.996 127.237 121.223 0.030 0.000 2.485 76 L HA -0.161 4.394 4.340 0.006 -0.211 0.279 76 L C 0.244 177.116 176.870 0.004 0.000 1.124 76 L CA 0.655 55.496 54.840 0.001 0.000 0.888 76 L CB -1.027 41.007 42.059 -0.040 0.000 1.217 76 L HN 0.391 8.636 8.230 0.024 0.000 0.464 77 E N 4.937 125.148 120.200 0.018 0.000 2.476 77 E HA 0.070 4.436 4.350 0.026 0.000 0.199 77 E C 0.859 177.464 176.600 0.009 0.000 1.021 77 E CA -0.027 56.390 56.400 0.029 0.000 0.907 77 E CB 0.459 30.198 29.700 0.065 0.000 0.974 77 E HN 0.344 9.187 8.360 0.028 -0.467 0.489 78 G N -1.700 107.091 108.800 -0.015 0.000 2.179 78 G HA2 -0.356 3.571 3.960 -0.056 0.000 0.220 78 G HA3 -0.356 3.592 3.960 -0.021 0.000 0.220 78 G C 0.036 174.920 174.900 -0.027 0.000 0.990 78 G CA 0.529 45.610 45.100 -0.031 0.000 0.646 78 G HN 0.019 8.474 8.290 -0.028 -0.182 0.517 79 N N -1.359 117.337 118.700 -0.007 0.000 2.236 79 N HA -0.035 4.701 4.740 -0.006 0.000 0.196 79 N C -0.759 174.752 175.510 0.001 0.000 1.114 79 N CA -0.276 52.776 53.050 0.004 0.000 0.859 79 N CB 0.343 38.847 38.487 0.029 0.000 0.982 79 N HN 0.256 8.641 8.380 0.008 0.000 0.493 80 E N -0.497 119.683 120.200 -0.033 0.000 2.383 80 E HA 0.148 4.751 4.350 0.071 -0.210 0.264 80 E C -0.407 176.138 176.600 -0.092 0.000 1.050 80 E CA 0.582 56.963 56.400 -0.031 0.000 0.896 80 E CB 0.141 29.768 29.700 -0.122 0.000 0.982 80 E HN -0.321 7.956 8.360 -0.055 0.050 0.424 81 Q N 1.621 121.439 119.800 0.029 0.000 2.310 81 Q HA 0.273 4.575 4.340 -0.064 0.000 0.270 81 Q C -1.258 174.901 176.000 0.265 0.000 1.025 81 Q CA -1.311 54.517 55.803 0.042 0.000 0.772 81 Q CB 2.610 31.379 28.738 0.051 0.000 1.253 81 Q HN 0.331 8.683 8.270 0.136 0.000 0.450 82 F N 4.005 123.944 119.950 -0.019 0.000 2.388 82 F HA 0.899 5.598 4.527 -0.030 -0.190 0.358 82 F C 0.118 175.902 175.800 -0.027 0.000 1.122 82 F CA -3.150 54.833 58.000 -0.027 0.000 1.056 82 F CB 1.141 40.122 39.000 -0.031 0.000 1.155 82 F HN 0.328 8.676 8.300 0.080 0.000 0.461 83 I N 4.734 125.387 120.570 0.138 0.000 2.500 83 I HA 0.127 4.329 4.170 0.054 0.000 0.286 83 I C -1.459 174.664 176.117 0.010 0.000 1.063 83 I CA -1.042 60.291 61.300 0.054 0.000 1.062 83 I CB 2.796 40.814 38.000 0.030 0.000 1.223 83 I HN 0.946 9.225 8.210 0.115 0.000 0.435 84 N N 6.971 125.670 118.700 -0.003 0.000 2.441 84 N HA -0.059 4.778 4.740 -0.032 -0.116 0.251 84 N C -0.264 175.218 175.510 -0.047 0.000 1.242 84 N CA -0.024 53.010 53.050 -0.027 0.000 0.898 84 N CB 0.626 39.099 38.487 -0.023 0.000 1.100 84 N HN 0.576 8.962 8.380 0.009 0.000 0.443 85 A N 1.814 124.602 122.820 -0.053 0.000 2.488 85 A HA 0.037 4.431 4.320 -0.095 -0.131 0.249 85 A C -0.717 176.824 177.584 -0.072 0.000 1.083 85 A CA 0.640 52.635 52.037 -0.070 0.000 0.768 85 A CB 0.291 19.261 19.000 -0.049 0.000 1.017 85 A HN 0.165 8.287 8.150 -0.046 0.000 0.496 86 A N 4.505 127.263 122.820 -0.104 0.000 1.997 86 A HA 0.103 4.386 4.320 -0.061 0.000 0.212 86 A C -0.102 177.438 177.584 -0.072 0.000 1.178 86 A CA 1.228 53.211 52.037 -0.090 0.000 0.698 86 A CB 1.168 20.097 19.000 -0.118 0.000 0.842 86 A HN 0.837 8.793 8.150 -0.150 0.105 0.458 87 K N -2.075 118.268 120.400 -0.095 0.000 2.501 87 K HA 0.283 4.617 4.320 0.024 0.000 0.252 87 K C -2.315 174.305 176.600 0.034 0.000 0.934 87 K CA -0.774 55.499 56.287 -0.023 0.000 0.797 87 K CB 3.333 35.813 32.500 -0.033 0.000 1.270 87 K HN -0.675 7.482 8.250 -0.156 0.000 0.431 88 I N 2.678 123.329 120.570 0.134 0.000 2.468 88 I HA 0.543 5.005 4.170 0.202 -0.170 0.284 88 I C -0.856 175.429 176.117 0.279 0.000 1.038 88 I CA -0.795 60.638 61.300 0.222 0.000 1.083 88 I CB 1.799 39.943 38.000 0.241 0.000 1.223 88 I HN 0.250 8.545 8.210 0.142 0.000 0.443 89 I N 9.593 130.335 120.570 0.287 0.000 2.420 89 I HA 0.321 4.618 4.170 0.212 0.000 0.282 89 I C -0.702 175.610 176.117 0.325 0.000 1.019 89 I CA -1.295 60.173 61.300 0.280 0.000 1.130 89 I CB 1.696 39.874 38.000 0.296 0.000 1.262 89 I HN 0.991 9.386 8.210 0.308 0.000 0.454 90 T N 6.274 120.936 114.554 0.181 0.000 2.899 90 T HA -0.060 4.339 4.350 0.081 0.000 0.295 90 T C -0.167 174.581 174.700 0.080 0.000 1.033 90 T CA -0.902 61.248 62.100 0.083 0.000 1.084 90 T CB 1.012 69.841 68.868 -0.065 0.000 0.979 90 T HN 0.367 8.662 8.240 0.092 0.000 0.532 91 H N 4.802 123.718 119.070 -0.257 0.000 3.034 91 H HA -0.080 3.860 4.556 -1.028 0.000 0.324 91 H C 0.661 175.872 175.328 -0.195 0.000 1.015 91 H CA 0.964 56.648 56.048 -0.607 0.000 1.429 91 H CB 1.343 30.637 29.762 -0.779 0.000 1.429 91 H HN -0.027 8.170 8.280 -0.138 0.000 0.585 92 P HA -0.116 4.274 4.420 -0.049 0.000 0.222 92 P C -0.430 176.867 177.300 -0.004 0.000 1.147 92 P CA 1.702 64.709 63.100 -0.155 0.000 0.790 92 P CB 0.339 31.946 31.700 -0.154 0.000 0.780 93 N N -3.005 115.797 118.700 0.171 0.000 2.214 93 N HA 0.043 4.839 4.740 0.093 0.000 0.214 93 N C -0.658 174.977 175.510 0.209 0.000 1.132 93 N CA -0.295 52.882 53.050 0.211 0.000 0.856 93 N CB 0.476 39.098 38.487 0.225 0.000 1.020 93 N HN -0.527 8.001 8.380 0.309 0.036 0.509 94 F N 3.295 123.288 119.950 0.072 0.000 2.590 94 F HA -0.257 4.542 4.527 -0.033 -0.292 0.389 94 F C -0.392 175.398 175.800 -0.015 0.000 1.049 94 F CA 0.986 58.984 58.000 -0.004 0.000 1.199 94 F CB 0.123 39.114 39.000 -0.014 0.000 1.058 94 F HN -0.556 7.778 8.300 0.352 0.178 0.556 95 N N 8.239 126.554 118.700 -0.642 0.000 2.457 95 N HA 0.107 4.533 4.740 -0.524 0.000 0.250 95 N C -0.440 174.391 175.510 -1.132 0.000 0.982 95 N CA -1.084 51.566 53.050 -0.667 0.000 0.941 95 N CB 1.838 40.132 38.487 -0.321 0.000 1.120 95 N HN 0.111 8.281 8.380 -0.349 0.000 0.505 96 G N 5.645 113.801 108.800 -1.072 0.000 2.498 96 G HA2 -0.299 3.076 3.960 -0.974 0.000 0.219 96 G HA3 -0.299 3.405 3.960 -0.426 0.000 0.219 96 G C 0.432 175.118 174.900 -0.356 0.000 1.119 96 G CA 1.604 46.265 45.100 -0.732 0.000 0.766 96 G HN 0.623 8.444 8.290 -0.781 0.000 0.552 97 N N 0.953 119.455 118.700 -0.329 0.000 2.240 97 N HA -0.013 4.606 4.740 -0.201 0.000 0.187 97 N C 1.941 177.280 175.510 -0.285 0.000 1.042 97 N CA 1.519 54.423 53.050 -0.243 0.000 0.861 97 N CB 0.454 38.825 38.487 -0.194 0.000 1.026 97 N HN -0.161 8.207 8.380 -0.373 -0.213 0.441 98 T N -2.390 111.989 114.554 -0.291 0.000 3.055 98 T HA -0.163 3.962 4.350 -0.374 0.000 0.265 98 T C 0.375 174.860 174.700 -0.357 0.000 1.111 98 T CA 1.490 63.399 62.100 -0.319 0.000 1.118 98 T CB 1.118 69.856 68.868 -0.218 0.000 0.909 98 T HN -0.222 8.160 8.240 -0.275 -0.307 0.501 99 L N -3.654 117.414 121.223 -0.259 0.000 4.232 99 L HA -0.496 4.024 4.340 0.113 -0.112 0.415 99 L C -1.518 175.413 176.870 0.102 0.000 1.168 99 L CA 0.646 55.480 54.840 -0.011 0.000 0.966 99 L CB -2.831 39.222 42.059 -0.010 0.000 2.052 99 L HN -0.425 7.559 8.230 -0.320 0.054 0.887 100 D N -0.866 119.533 120.400 -0.002 0.000 2.443 100 D HA -0.210 4.497 4.640 0.111 0.000 0.239 100 D C 0.331 176.710 176.300 0.131 0.000 1.136 100 D CA 1.406 55.443 54.000 0.062 0.000 0.879 100 D CB 1.064 41.864 40.800 -0.001 0.000 1.195 100 D HN -0.636 7.622 8.370 -0.114 0.044 0.443 101 N N -0.124 118.639 118.700 0.105 0.000 2.738 101 N HA -0.509 4.176 4.740 -0.093 0.000 0.249 101 N C -1.259 174.263 175.510 0.020 0.000 1.047 101 N CA 1.309 54.332 53.050 -0.045 0.000 0.707 101 N CB -1.283 37.073 38.487 -0.218 0.000 0.937 101 N HN 0.568 9.021 8.380 0.122 0.000 0.545 102 D N -0.725 119.722 120.400 0.079 0.000 2.608 102 D HA 0.044 4.636 4.640 -0.079 0.000 0.224 102 D C -1.885 174.297 176.300 -0.197 0.000 1.123 102 D CA -0.200 53.815 54.000 0.026 0.000 1.030 102 D CB -0.716 40.241 40.800 0.262 0.000 1.093 102 D HN -0.175 8.265 8.370 0.117 0.000 0.497 103 I N 2.301 122.662 120.570 -0.348 0.000 2.752 103 I HA 0.830 5.095 4.170 -0.180 -0.203 0.295 103 I C -3.046 172.971 176.117 -0.166 0.000 1.219 103 I CA -1.592 59.537 61.300 -0.286 0.000 1.030 103 I CB 3.870 41.575 38.000 -0.491 0.000 1.259 103 I HN -0.086 7.855 8.210 -0.383 0.040 0.423 104 M N 4.752 124.376 119.600 0.041 0.000 2.569 104 M HA 0.772 5.603 4.480 0.399 -0.112 0.279 104 M C -2.787 173.698 176.300 0.308 0.000 1.253 104 M CA -1.142 54.294 55.300 0.228 0.000 0.867 104 M CB 4.789 37.462 32.600 0.121 0.000 1.727 104 M HN 0.585 8.812 8.290 0.043 0.088 0.467 105 L N -0.384 121.063 121.223 0.372 0.000 2.346 105 L HA 0.875 5.583 4.340 0.303 -0.186 0.276 105 L C -1.372 175.722 176.870 0.373 0.000 1.006 105 L CA -1.484 53.563 54.840 0.346 0.000 0.817 105 L CB 3.900 46.085 42.059 0.211 0.000 1.272 105 L HN 0.612 8.994 8.230 0.431 0.106 0.421 106 I N 2.008 122.770 120.570 0.320 0.000 2.382 106 I HA 0.560 4.990 4.170 0.106 -0.197 0.286 106 I C -1.406 174.656 176.117 -0.093 0.000 1.002 106 I CA -1.391 59.982 61.300 0.122 0.000 1.135 106 I CB 2.550 40.593 38.000 0.071 0.000 1.288 106 I HN 0.920 9.342 8.210 0.353 0.000 0.448 107 K N 7.878 127.978 120.400 -0.500 0.000 2.258 107 K HA 0.525 4.183 4.320 -1.435 -0.199 0.284 107 K C -0.699 175.609 176.600 -0.486 0.000 1.051 107 K CA -1.296 54.375 56.287 -1.026 0.000 0.923 107 K CB 1.934 33.640 32.500 -1.324 0.000 1.046 107 K HN 0.696 8.649 8.250 -0.308 0.111 0.474 108 L N 5.906 126.887 121.223 -0.403 0.000 2.397 108 L HA -0.054 4.299 4.340 -0.157 -0.107 0.271 108 L C 0.613 177.365 176.870 -0.196 0.000 1.148 108 L CA 0.251 54.962 54.840 -0.215 0.000 0.825 108 L CB 0.382 42.354 42.059 -0.145 0.000 1.117 108 L HN 0.394 8.212 8.230 -0.506 0.108 0.456 109 S N 2.336 117.963 115.700 -0.123 0.000 2.447 109 S HA -0.221 4.185 4.470 -0.107 0.000 0.233 109 S C -0.196 174.360 174.600 -0.073 0.000 1.006 109 S CA 2.220 60.365 58.200 -0.092 0.000 0.957 109 S CB 0.518 63.682 63.200 -0.060 0.000 0.773 109 S HN 0.709 8.961 8.310 -0.098 0.000 0.507 110 S N -0.701 114.960 115.700 -0.064 0.000 2.588 110 S HA 0.304 4.744 4.470 -0.051 0.000 0.275 110 S C -2.639 171.933 174.600 -0.047 0.000 1.130 110 S CA -2.682 55.490 58.200 -0.047 0.000 0.855 110 S CB 1.420 64.605 63.200 -0.026 0.000 1.116 110 S HN -0.750 7.494 8.310 -0.066 0.027 0.472 111 P HA -0.091 4.423 4.420 -0.032 -0.113 0.271 111 P C -1.082 176.217 177.300 -0.001 0.000 1.216 111 P CA -0.390 62.699 63.100 -0.018 0.000 0.771 111 P CB 0.307 32.006 31.700 -0.002 0.000 0.864 112 A N 3.187 126.013 122.820 0.010 0.000 2.477 112 A HA 0.033 4.480 4.320 0.024 -0.113 0.246 112 A C 0.005 177.606 177.584 0.028 0.000 1.078 112 A CA -0.379 51.674 52.037 0.026 0.000 0.770 112 A CB 0.767 19.794 19.000 0.044 0.000 1.011 112 A HN 0.333 8.388 8.150 0.010 0.101 0.494 113 T N 1.243 115.811 114.554 0.025 0.000 2.832 113 T HA -0.075 4.289 4.350 0.023 0.000 0.296 113 T C -0.419 174.300 174.700 0.032 0.000 0.968 113 T CA -0.266 61.848 62.100 0.024 0.000 1.107 113 T CB 0.621 69.498 68.868 0.015 0.000 0.916 113 T HN -0.022 8.546 8.240 0.023 -0.314 0.517 114 L N 7.340 128.584 121.223 0.035 0.000 2.265 114 L HA 0.320 4.869 4.340 0.049 -0.180 0.288 114 L C -0.623 176.267 176.870 0.034 0.000 1.058 114 L CA -0.719 54.146 54.840 0.041 0.000 0.809 114 L CB 0.117 42.204 42.059 0.046 0.000 1.179 114 L HN 0.353 8.602 8.230 0.031 0.000 0.429 115 N N 4.908 123.629 118.700 0.035 0.000 3.387 115 N HA 0.292 5.047 4.740 0.025 0.000 0.322 115 N C -0.262 175.266 175.510 0.031 0.000 1.588 115 N CA -0.948 52.119 53.050 0.028 0.000 0.778 115 N CB 0.871 39.371 38.487 0.021 0.000 1.883 115 N HN 0.331 8.736 8.380 0.042 0.000 0.628 116 S N -2.316 113.398 115.700 0.024 0.000 2.419 116 S HA -0.231 4.256 4.470 0.028 0.000 0.233 116 S C 0.576 175.190 174.600 0.022 0.000 1.016 116 S CA 2.481 60.695 58.200 0.023 0.000 0.974 116 S CB -0.166 63.042 63.200 0.014 0.000 0.786 116 S HN 0.315 8.636 8.310 0.019 0.000 0.492 117 R N -1.115 119.398 120.500 0.022 0.000 2.280 117 R HA 0.086 4.433 4.340 0.012 0.000 0.195 117 R C -1.203 175.119 176.300 0.036 0.000 0.935 117 R CA -0.865 55.249 56.100 0.023 0.000 1.033 117 R CB 1.133 31.448 30.300 0.025 0.000 0.964 117 R HN -0.509 7.925 8.270 0.022 -0.150 0.489 118 V N -1.432 118.509 119.914 0.046 0.000 2.462 118 V HA 0.430 4.791 4.120 0.068 -0.201 0.288 118 V C -2.381 173.758 176.094 0.074 0.000 1.020 118 V CA -1.251 61.087 62.300 0.063 0.000 0.857 118 V CB 2.199 34.059 31.823 0.061 0.000 1.013 118 V HN -0.488 7.736 8.190 0.042 -0.008 0.431 119 A N 6.775 129.656 122.820 0.102 0.000 2.539 119 A HA 0.526 4.902 4.320 0.093 0.000 0.296 119 A C -2.521 175.162 177.584 0.165 0.000 1.073 119 A CA -1.283 50.825 52.037 0.118 0.000 0.700 119 A CB 3.169 22.239 19.000 0.117 0.000 1.296 119 A HN 0.169 8.262 8.150 0.111 0.124 0.405 120 T N -1.817 112.815 114.554 0.130 0.000 2.868 120 T HA 0.276 4.897 4.350 0.145 -0.183 0.292 120 T C -0.161 174.595 174.700 0.094 0.000 1.028 120 T CA -0.878 61.294 62.100 0.119 0.000 1.059 120 T CB 1.355 70.272 68.868 0.081 0.000 0.991 120 T HN -0.076 8.224 8.240 0.101 0.000 0.531 121 V N 1.912 121.832 119.914 0.011 0.000 2.604 121 V HA 0.219 4.270 4.120 -0.115 0.000 0.305 121 V C -1.182 174.855 176.094 -0.095 0.000 1.043 121 V CA -2.072 60.140 62.300 -0.147 0.000 0.888 121 V CB 2.725 34.226 31.823 -0.536 0.000 0.995 121 V HN 0.306 8.516 8.190 0.035 0.000 0.429 122 S N 7.559 123.206 115.700 -0.088 0.000 2.560 122 S HA 0.039 4.490 4.470 -0.031 0.000 0.284 122 S C -0.413 174.153 174.600 -0.057 0.000 1.327 122 S CA 1.085 59.253 58.200 -0.053 0.000 1.055 122 S CB 0.556 63.730 63.200 -0.043 0.000 0.868 122 S HN 0.072 8.321 8.310 -0.101 0.000 0.506 123 L N 3.667 124.872 121.223 -0.029 0.000 2.464 123 L HA -0.015 4.317 4.340 -0.012 0.000 0.264 123 L C -1.408 175.455 176.870 -0.013 0.000 1.199 123 L CA -1.145 53.688 54.840 -0.013 0.000 0.818 123 L CB -0.149 41.912 42.059 0.003 0.000 1.102 123 L HN 0.252 8.468 8.230 -0.022 0.000 0.473 124 P HA 0.046 4.609 4.420 -0.018 -0.154 0.279 124 P C -0.859 176.439 177.300 -0.004 0.000 1.239 124 P CA -0.924 62.172 63.100 -0.007 0.000 0.789 124 P CB 0.720 32.420 31.700 0.000 0.000 0.933 128 c N 1.158 119.753 118.600 -0.008 0.000 2.652 128 c HA -0.021 4.685 4.570 -0.002 -0.137 0.412 128 c C 0.391 174.474 174.090 -0.012 0.000 1.294 128 c CA -0.766 55.559 56.329 -0.006 0.000 2.127 128 c CB -0.013 42.493 42.510 -0.007 0.000 2.691 128 c HN 0.031 8.255 8.230 -0.009 0.000 0.615 129 A N 3.525 126.336 122.820 -0.016 0.000 2.401 129 A HA -0.021 4.285 4.320 -0.023 0.000 0.259 129 A C -0.699 176.871 177.584 -0.023 0.000 1.103 129 A CA -0.096 51.926 52.037 -0.024 0.000 0.789 129 A CB 0.554 19.532 19.000 -0.036 0.000 1.035 129 A HN 0.309 8.550 8.150 -0.013 -0.099 0.491 133 G N 1.880 110.648 108.800 -0.053 0.000 2.199 133 G HA2 -0.354 3.565 3.960 -0.068 0.000 0.254 133 G HA3 -0.354 3.583 3.960 -0.037 0.000 0.254 133 G C -0.265 174.606 174.900 -0.049 0.000 0.982 133 G CA 0.020 45.088 45.100 -0.052 0.000 0.632 133 G HN 0.747 8.879 8.290 -0.067 0.118 0.529 134 T N 3.910 118.435 114.554 -0.049 0.000 2.871 134 T HA -0.257 4.074 4.350 -0.032 0.000 0.296 134 T C -0.511 174.157 174.700 -0.054 0.000 0.998 134 T CA 2.437 64.511 62.100 -0.044 0.000 1.162 134 T CB 0.409 69.251 68.868 -0.043 0.000 0.947 134 T HN -0.465 7.674 8.240 -0.049 0.072 0.536 135 E N 5.692 125.871 120.200 -0.035 0.000 2.338 135 E HA 0.021 4.346 4.350 -0.042 0.000 0.272 135 E C -0.650 175.932 176.600 -0.029 0.000 1.029 135 E CA -0.051 56.333 56.400 -0.027 0.000 0.872 135 E CB 0.621 30.322 29.700 0.002 0.000 1.015 135 E HN 0.088 8.434 8.360 -0.024 0.000 0.417 136 c N 1.913 120.490 118.600 -0.039 0.000 2.913 136 c HA 0.604 5.292 4.570 -0.029 -0.135 0.322 136 c C -1.589 172.498 174.090 -0.005 0.000 1.292 136 c CA -1.323 54.981 56.329 -0.042 0.000 1.649 136 c CB 4.299 46.746 42.510 -0.105 0.000 2.139 136 c HN 0.639 8.740 8.230 -0.044 0.103 0.475 137 L N 1.157 122.385 121.223 0.008 0.000 2.343 137 L HA 0.838 5.395 4.340 0.046 -0.190 0.278 137 L C -2.145 174.732 176.870 0.010 0.000 0.996 137 L CA -1.417 53.445 54.840 0.037 0.000 0.831 137 L CB 3.156 45.265 42.059 0.083 0.000 1.232 137 L HN 0.703 8.823 8.230 -0.002 0.109 0.413 138 I N 7.445 128.005 120.570 -0.017 0.000 2.412 138 I HA 0.864 5.259 4.170 -0.007 -0.229 0.296 138 I C -1.129 174.956 176.117 -0.054 0.000 0.987 138 I CA -1.603 59.684 61.300 -0.022 0.000 1.180 138 I CB 1.584 39.574 38.000 -0.016 0.000 1.340 138 I HN 0.880 9.084 8.210 -0.009 0.000 0.455 139 S N 2.950 118.618 115.700 -0.054 0.000 2.588 139 S HA 0.935 5.425 4.470 -0.216 -0.150 0.275 139 S C -1.206 173.291 174.600 -0.172 0.000 1.130 139 S CA -1.720 56.377 58.200 -0.172 0.000 0.855 139 S CB 3.714 66.770 63.200 -0.239 0.000 1.116 139 S HN -0.165 8.149 8.310 0.006 0.000 0.472 140 G N -1.118 107.483 108.800 -0.331 0.000 2.313 140 G HA2 0.184 3.896 3.960 -0.413 0.000 0.296 140 G HA3 0.184 4.238 3.960 -0.056 -0.128 0.296 140 G C -2.128 172.520 174.900 -0.419 0.000 1.356 140 G CA 0.622 45.538 45.100 -0.308 0.000 0.833 140 G HN 0.086 8.110 8.290 -0.443 0.000 0.552 141 W N 0.957 122.158 121.300 -0.165 0.000 3.194 141 W HA 0.329 4.879 4.660 -0.184 0.000 0.408 141 W C -0.060 176.421 176.519 -0.063 0.000 1.072 141 W CA -0.786 56.402 57.345 -0.263 0.000 1.953 141 W CB 0.116 29.184 29.460 -0.654 0.000 1.091 141 W HN 0.561 8.867 8.180 0.210 0.000 0.699 142 G N 0.771 109.690 108.800 0.199 0.000 2.588 142 G HA2 -0.092 4.204 3.960 0.468 0.000 0.278 142 G HA3 -0.092 4.115 3.960 0.222 -0.114 0.278 142 G C -1.107 173.849 174.900 0.092 0.000 1.307 142 G CA -0.725 44.538 45.100 0.271 0.000 1.016 142 G HN -0.342 8.237 8.290 0.108 -0.224 0.503 143 N N -0.692 117.976 118.700 -0.052 0.000 2.412 143 N HA -0.281 4.101 4.740 -0.904 -0.184 0.254 143 N C 0.823 176.211 175.510 -0.204 0.000 1.232 143 N CA 1.017 53.809 53.050 -0.431 0.000 0.880 143 N CB 0.644 38.919 38.487 -0.354 0.000 1.076 143 N HN 0.135 8.504 8.380 0.152 0.102 0.458 144 T N 0.135 114.557 114.554 -0.219 0.000 3.069 144 T HA 0.131 4.542 4.350 -0.090 -0.115 0.252 144 T C 0.077 174.717 174.700 -0.099 0.000 1.053 144 T CA 0.307 62.334 62.100 -0.122 0.000 0.964 144 T CB 1.370 70.179 68.868 -0.099 0.000 1.005 144 T HN 0.491 8.544 8.240 -0.313 0.000 0.532 145 K N 2.205 122.532 120.400 -0.122 0.000 2.206 145 K HA 0.232 4.516 4.320 -0.059 0.000 0.264 145 K C 0.256 176.820 176.600 -0.060 0.000 0.967 145 K CA -1.518 54.721 56.287 -0.081 0.000 0.844 145 K CB 1.639 34.089 32.500 -0.084 0.000 1.099 145 K HN -0.680 7.752 8.250 -0.184 -0.293 0.441 146 S N 2.367 118.046 115.700 -0.035 0.000 2.527 146 S HA -0.073 4.387 4.470 -0.017 0.000 0.222 146 S C 0.716 175.306 174.600 -0.016 0.000 0.985 146 S CA 1.204 59.393 58.200 -0.019 0.000 0.921 146 S CB 0.584 63.780 63.200 -0.008 0.000 0.772 146 S HN 0.474 8.765 8.310 -0.032 0.000 0.529 147 S N 1.038 116.726 115.700 -0.020 0.000 2.357 147 S HA -0.064 4.401 4.470 -0.009 0.000 0.209 147 S C 0.144 174.736 174.600 -0.013 0.000 1.023 147 S CA 0.421 58.613 58.200 -0.013 0.000 0.933 147 S CB 0.101 63.294 63.200 -0.011 0.000 0.897 147 S HN -0.212 8.042 8.310 -0.026 0.040 0.529 148 G N -0.271 108.518 108.800 -0.018 0.000 3.310 148 G HA2 0.156 4.116 3.960 -0.000 0.000 0.176 148 G HA3 0.156 4.112 3.960 -0.008 0.000 0.176 148 G C -2.240 172.642 174.900 -0.030 0.000 1.307 148 G CA -0.751 44.342 45.100 -0.012 0.000 0.935 148 G HN 0.065 8.340 8.290 -0.025 0.000 0.628 149 S N -1.594 114.086 115.700 -0.034 0.000 2.548 149 S HA 0.111 4.688 4.470 -0.192 -0.222 0.276 149 S C -1.453 173.067 174.600 -0.134 0.000 1.129 149 S CA -0.882 57.252 58.200 -0.109 0.000 0.931 149 S CB 2.374 65.584 63.200 0.017 0.000 1.068 149 S HN -0.328 7.975 8.310 -0.011 0.000 0.480 150 S N 2.637 118.156 115.700 -0.301 0.000 2.619 150 S HA 0.260 4.688 4.470 -0.070 0.000 0.280 150 S C -2.218 172.126 174.600 -0.426 0.000 1.150 150 S CA -0.203 57.867 58.200 -0.216 0.000 0.978 150 S CB 1.412 64.547 63.200 -0.107 0.000 1.041 150 S HN 0.488 8.883 8.310 -0.451 -0.356 0.485 151 Y N 5.670 125.991 120.300 0.035 0.000 2.335 151 Y HA 0.214 4.796 4.550 0.052 0.000 0.339 151 Y C -1.304 174.619 175.900 0.038 0.000 0.987 151 Y CA -2.894 55.233 58.100 0.046 0.000 1.140 151 Y CB 0.811 39.305 38.460 0.057 0.000 1.173 151 Y HN 0.115 8.475 8.280 0.133 0.000 0.486 152 P HA 0.168 4.623 4.420 0.058 0.000 0.281 152 P C -1.053 176.333 177.300 0.143 0.000 1.249 152 P CA -1.042 62.114 63.100 0.095 0.000 0.810 152 P CB 1.382 33.108 31.700 0.043 0.000 1.008 153 S N -1.225 114.527 115.700 0.087 0.000 2.395 153 S HA -0.054 4.562 4.470 0.033 -0.126 0.225 153 S C -0.344 174.331 174.600 0.125 0.000 1.027 153 S CA 2.189 60.427 58.200 0.064 0.000 0.965 153 S CB 0.898 64.108 63.200 0.018 0.000 0.812 153 S HN 0.285 8.628 8.310 0.054 0.000 0.482 154 L N -1.113 120.129 121.223 0.031 0.000 2.325 154 L HA 0.332 4.659 4.340 -0.358 -0.201 0.279 154 L C -0.428 176.299 176.870 -0.239 0.000 1.054 154 L CA -1.499 53.212 54.840 -0.215 0.000 0.804 154 L CB 1.536 43.426 42.059 -0.282 0.000 1.200 154 L HN -0.680 7.558 8.230 0.013 0.000 0.436 155 L N 2.657 123.598 121.223 -0.471 0.000 2.513 155 L HA -0.112 3.246 4.340 -1.635 0.000 0.272 155 L C -0.854 175.737 176.870 -0.465 0.000 1.187 155 L CA 0.842 55.166 54.840 -0.860 0.000 0.895 155 L CB 0.569 42.194 42.059 -0.725 0.000 1.147 155 L HN -0.131 7.764 8.230 -0.559 0.000 0.483 156 Q N 5.644 125.142 119.800 -0.502 0.000 2.214 156 Q HA 0.503 4.796 4.340 -0.324 -0.148 0.251 156 Q C -0.876 174.864 176.000 -0.432 0.000 0.936 156 Q CA -1.709 53.870 55.803 -0.374 0.000 0.894 156 Q CB 2.227 30.802 28.738 -0.272 0.000 1.252 156 Q HN -0.045 7.836 8.270 -0.647 0.000 0.448 157 c N -0.265 117.985 118.600 -0.582 0.000 2.802 157 c HA 0.924 5.423 4.570 -0.413 -0.177 0.307 157 c C -1.821 171.860 174.090 -0.682 0.000 1.222 157 c CA -0.759 55.158 56.329 -0.686 0.000 1.580 157 c CB 4.051 45.977 42.510 -0.973 0.000 2.119 157 c HN 0.827 8.655 8.230 -0.670 0.000 0.479 158 L N 0.646 121.696 121.223 -0.289 0.000 2.505 158 L HA 0.382 4.752 4.340 0.050 0.000 0.266 158 L C -2.403 174.537 176.870 0.116 0.000 0.954 158 L CA 0.100 54.929 54.840 -0.019 0.000 0.852 158 L CB 4.305 46.379 42.059 0.024 0.000 1.282 158 L HN 0.571 8.678 8.230 -0.205 0.000 0.403 159 K N 6.989 127.540 120.400 0.252 0.000 2.276 159 K HA 0.610 5.224 4.320 0.152 -0.203 0.283 159 K C -0.854 175.910 176.600 0.274 0.000 1.044 159 K CA -0.852 55.567 56.287 0.219 0.000 0.944 159 K CB -0.005 32.624 32.500 0.215 0.000 1.012 159 K HN 0.254 8.709 8.250 0.342 0.000 0.472 160 A N 3.197 126.095 122.820 0.129 0.000 2.566 160 A HA 0.487 4.806 4.320 -0.001 0.000 0.297 160 A C -3.455 174.021 177.584 -0.180 0.000 1.059 160 A CA -1.774 50.245 52.037 -0.031 0.000 0.691 160 A CB 2.697 21.673 19.000 -0.040 0.000 1.282 160 A HN 0.674 8.860 8.150 0.060 0.000 0.401 161 P HA 0.626 5.160 4.420 -0.147 -0.203 0.284 161 P C -1.008 176.152 177.300 -0.233 0.000 1.258 161 P CA -1.563 61.399 63.100 -0.230 0.000 0.824 161 P CB 1.272 32.840 31.700 -0.220 0.000 1.038 162 V N 1.535 121.353 119.914 -0.159 0.000 2.599 162 V HA -0.204 3.829 4.120 -0.145 0.000 0.300 162 V C 0.338 176.365 176.094 -0.111 0.000 1.034 162 V CA 1.964 64.187 62.300 -0.128 0.000 1.115 162 V CB -0.273 31.496 31.823 -0.090 0.000 0.934 162 V HN 0.042 8.155 8.190 -0.128 0.000 0.485 163 L N 7.026 128.195 121.223 -0.091 0.000 2.357 163 L HA 0.209 4.503 4.340 -0.076 0.000 0.273 163 L C -0.579 176.271 176.870 -0.033 0.000 1.080 163 L CA -0.683 54.118 54.840 -0.064 0.000 0.803 163 L CB 0.674 42.703 42.059 -0.050 0.000 1.174 163 L HN 0.416 8.494 8.230 -0.083 0.102 0.443 164 S N 1.219 116.904 115.700 -0.024 0.000 2.563 164 S HA -0.161 4.302 4.470 -0.012 0.000 0.284 164 S C 0.596 175.199 174.600 0.004 0.000 1.331 164 S CA 0.154 58.348 58.200 -0.010 0.000 1.047 164 S CB 1.084 64.279 63.200 -0.008 0.000 0.859 164 S HN 0.149 8.441 8.310 -0.029 0.000 0.514 165 D N 2.075 122.480 120.400 0.009 0.000 2.219 165 D HA -0.281 4.375 4.640 0.028 0.000 0.205 165 D C 1.923 178.239 176.300 0.027 0.000 0.970 165 D CA 3.336 57.349 54.000 0.021 0.000 0.851 165 D CB -0.234 40.577 40.800 0.019 0.000 0.943 165 D HN 0.522 8.895 8.370 0.004 0.000 0.488 166 S N -0.218 115.493 115.700 0.018 0.000 2.345 166 S HA -0.251 4.232 4.470 0.023 0.000 0.220 166 S C 2.365 176.978 174.600 0.021 0.000 1.031 166 S CA 2.806 61.017 58.200 0.018 0.000 0.996 166 S CB 0.145 63.352 63.200 0.011 0.000 0.882 166 S HN -0.154 8.143 8.310 0.011 0.020 0.445 167 S N 4.199 119.907 115.700 0.014 0.000 2.399 167 S HA -0.244 4.229 4.470 0.005 0.000 0.231 167 S C 1.817 176.434 174.600 0.028 0.000 1.022 167 S CA 3.684 61.890 58.200 0.011 0.000 0.983 167 S CB -0.536 62.664 63.200 0.000 0.000 0.803 167 S HN -0.640 7.675 8.310 0.009 0.000 0.480 168 c N 2.221 120.851 118.600 0.050 0.000 2.453 168 c HA -0.275 4.370 4.570 0.125 0.000 0.277 168 c C 2.077 176.259 174.090 0.152 0.000 1.262 168 c CA 2.591 58.982 56.329 0.103 0.000 1.718 168 c CB -1.640 40.916 42.510 0.077 0.000 2.031 168 c HN -0.093 8.159 8.230 0.037 0.000 0.480 169 K N -0.994 119.468 120.400 0.104 0.000 2.148 169 K HA -0.311 4.101 4.320 0.153 0.000 0.204 169 K C 2.131 178.780 176.600 0.082 0.000 1.050 169 K CA 2.939 59.291 56.287 0.108 0.000 0.942 169 K CB 0.080 32.623 32.500 0.071 0.000 0.724 169 K HN 0.014 8.308 8.250 0.073 0.000 0.446 170 S N -1.223 114.502 115.700 0.042 0.000 2.406 170 S HA -0.188 4.289 4.470 0.012 0.000 0.228 170 S C 1.589 176.169 174.600 -0.033 0.000 1.020 170 S CA 3.110 61.315 58.200 0.007 0.000 0.965 170 S CB -0.337 62.861 63.200 -0.004 0.000 0.798 170 S HN 0.014 8.168 8.310 0.039 0.179 0.488 171 S N 0.170 115.832 115.700 -0.064 0.000 2.428 171 S HA -0.141 4.175 4.470 -0.258 0.000 0.230 171 S C -1.225 173.133 174.600 -0.404 0.000 1.014 171 S CA 3.398 61.433 58.200 -0.275 0.000 0.957 171 S CB 1.186 64.175 63.200 -0.352 0.000 0.784 171 S HN -0.619 7.688 8.310 -0.005 0.000 0.499 172 Y N -2.341 117.980 120.300 0.035 0.000 2.535 172 Y HA 0.290 4.873 4.550 0.055 0.000 0.351 172 Y C -2.867 173.073 175.900 0.067 0.000 1.050 172 Y CA -3.027 55.119 58.100 0.076 0.000 1.168 172 Y CB 0.699 39.260 38.460 0.169 0.000 1.116 172 Y HN -0.774 7.478 8.280 0.170 0.131 0.654 173 P HA -0.045 4.548 4.420 0.085 -0.122 0.261 173 P C 0.398 177.754 177.300 0.093 0.000 1.183 173 P CA 0.548 63.701 63.100 0.089 0.000 0.761 173 P CB 0.123 31.846 31.700 0.039 0.000 0.785 174 G N 4.729 113.578 108.800 0.081 0.000 2.168 174 G HA2 -0.260 3.730 3.960 0.049 0.000 0.263 174 G HA3 -0.260 3.725 3.960 0.040 0.000 0.263 174 G C 0.033 174.974 174.900 0.069 0.000 0.977 174 G CA 0.966 46.101 45.100 0.059 0.000 0.659 174 G HN 0.475 8.812 8.290 0.078 0.000 0.533 175 Q N -2.071 117.805 119.800 0.126 0.000 2.280 175 Q HA 0.100 4.468 4.340 0.046 0.000 0.228 175 Q C -0.373 175.745 176.000 0.197 0.000 0.857 175 Q CA -0.198 55.687 55.803 0.136 0.000 0.939 175 Q CB 1.512 30.381 28.738 0.218 0.000 1.114 175 Q HN -0.310 8.006 8.270 0.170 0.055 0.514 176 I N 0.321 120.999 120.570 0.180 0.000 2.297 176 I HA 0.052 4.351 4.170 0.215 0.000 0.291 176 I C 0.330 176.512 176.117 0.109 0.000 1.033 176 I CA -1.931 59.467 61.300 0.163 0.000 1.253 176 I CB -1.642 36.438 38.000 0.134 0.000 1.396 176 I HN -0.360 7.947 8.210 0.160 0.000 0.476 177 T N 3.525 118.144 114.554 0.107 0.000 2.732 177 T HA 0.101 4.482 4.350 0.052 0.000 0.287 177 T C 1.599 176.335 174.700 0.060 0.000 0.993 177 T CA -0.997 61.144 62.100 0.069 0.000 0.966 177 T CB 1.966 70.872 68.868 0.063 0.000 1.047 177 T HN -0.489 7.839 8.240 0.146 0.000 0.527 178 G N -1.361 107.461 108.800 0.035 0.000 2.559 178 G HA2 -0.118 3.855 3.960 0.022 0.000 0.216 178 G HA3 -0.118 3.842 3.960 0.001 0.000 0.216 178 G C -0.201 174.712 174.900 0.021 0.000 1.126 178 G CA 1.137 46.249 45.100 0.019 0.000 0.778 178 G HN 0.511 8.817 8.290 0.026 0.000 0.543 179 N N -0.514 118.218 118.700 0.053 0.000 2.268 179 N HA 0.076 4.855 4.740 0.065 0.000 0.204 179 N C -1.455 174.146 175.510 0.153 0.000 1.124 179 N CA -0.503 52.609 53.050 0.103 0.000 0.838 179 N CB 0.806 39.380 38.487 0.146 0.000 0.994 179 N HN -0.584 7.769 8.380 0.061 0.064 0.489 180 M N -1.159 118.510 119.600 0.116 0.000 2.457 180 M HA 0.640 5.383 4.480 0.127 -0.187 0.300 180 M C -1.867 174.477 176.300 0.074 0.000 1.141 180 M CA -0.252 55.113 55.300 0.109 0.000 0.901 180 M CB 4.752 37.426 32.600 0.125 0.000 1.687 180 M HN -0.812 7.447 8.290 0.088 0.084 0.449 181 I N -6.773 113.842 120.570 0.074 0.000 2.730 181 I HA 0.617 4.814 4.170 0.044 0.000 0.298 181 I C -2.533 173.636 176.117 0.085 0.000 1.089 181 I CA -2.507 58.831 61.300 0.064 0.000 1.041 181 I CB 3.756 41.789 38.000 0.056 0.000 1.235 181 I HN 0.598 8.864 8.210 0.093 0.000 0.423 182 c N 3.248 121.885 118.600 0.062 0.000 2.350 182 c HA 0.784 5.650 4.570 0.142 -0.210 0.348 182 c C -0.386 173.738 174.090 0.057 0.000 1.260 182 c CA -0.596 55.787 56.329 0.091 0.000 1.966 182 c CB 0.402 42.951 42.510 0.065 0.000 2.380 182 c HN 0.862 9.115 8.230 0.039 0.000 0.535 183 V N 4.129 124.099 119.914 0.093 0.000 2.443 183 V HA 0.409 4.587 4.120 -0.159 -0.154 0.272 183 V C -1.911 174.147 176.094 -0.059 0.000 1.002 183 V CA -0.394 61.833 62.300 -0.122 0.000 0.840 183 V CB 1.129 32.684 31.823 -0.448 0.000 1.042 183 V HN 0.082 8.456 8.190 0.307 0.000 0.446 184 F N 4.231 124.206 119.950 0.041 0.000 2.385 184 F HA 0.325 4.865 4.527 0.021 0.000 0.360 184 F C 0.908 176.722 175.800 0.024 0.000 1.122 184 F CA -0.483 57.534 58.000 0.028 0.000 1.090 184 F CB 0.953 39.968 39.000 0.026 0.000 1.150 184 F HN 0.181 8.620 8.300 0.231 0.000 0.472 185 L N 4.070 125.377 121.223 0.140 0.000 2.191 185 L HA -0.350 4.025 4.340 0.059 0.000 0.212 185 L C 1.357 178.280 176.870 0.089 0.000 1.103 185 L CA 2.533 57.422 54.840 0.081 0.000 0.769 185 L CB -0.577 41.505 42.059 0.039 0.000 0.908 185 L HN 0.406 8.698 8.230 0.103 0.000 0.438 186 E N -1.915 118.357 120.200 0.121 0.000 2.338 186 E HA -0.206 4.178 4.350 0.056 0.000 0.197 186 E C 0.353 176.993 176.600 0.067 0.000 1.007 186 E CA 0.690 57.138 56.400 0.080 0.000 0.849 186 E CB -0.175 29.568 29.700 0.071 0.000 0.774 186 E HN -0.057 8.384 8.360 0.176 0.024 0.506 187 G N 0.462 109.320 108.800 0.098 0.000 3.391 187 G HA2 -0.367 3.697 3.960 0.096 0.000 0.683 187 G HA3 -0.367 3.637 3.960 0.052 -0.013 0.683 187 G C -0.765 174.160 174.900 0.042 0.000 1.071 187 G CA -0.306 44.839 45.100 0.075 0.000 0.904 187 G HN -0.576 7.650 8.290 0.152 0.155 0.452 188 K N 0.872 121.285 120.400 0.022 0.000 6.074 188 K HA -0.564 4.008 4.320 0.020 -0.239 0.850 188 K C -1.710 175.016 176.600 0.211 0.000 2.043 188 K CA 0.188 56.508 56.287 0.054 0.000 1.609 188 K CB 0.095 32.509 32.500 -0.144 0.000 2.376 188 K HN 0.319 8.614 8.250 0.076 0.000 0.262 189 D N 1.677 122.168 120.400 0.151 0.000 2.710 189 D HA 0.292 5.069 4.640 0.228 0.000 0.276 189 D C -1.920 174.460 176.300 0.132 0.000 1.267 189 D CA -0.646 53.457 54.000 0.171 0.000 0.772 189 D CB 4.151 45.035 40.800 0.141 0.000 1.299 189 D HN 0.040 8.467 8.370 0.095 0.000 0.421 190 S N -0.527 115.271 115.700 0.163 0.000 2.617 190 S HA 0.215 4.836 4.470 0.097 -0.093 0.269 190 S C -1.244 173.410 174.600 0.089 0.000 1.292 190 S CA 0.071 58.348 58.200 0.129 0.000 1.010 190 S CB 0.995 64.308 63.200 0.190 0.000 0.944 190 S HN 0.185 8.623 8.310 0.214 0.000 0.536 191 c N -0.343 118.308 118.600 0.086 0.000 3.335 191 c HA 0.217 4.835 4.570 0.080 0.000 0.356 191 c C -1.427 172.745 174.090 0.137 0.000 1.570 191 c CA -0.653 55.728 56.329 0.085 0.000 1.271 191 c CB 3.364 45.901 42.510 0.045 0.000 1.873 191 c HN 0.622 9.290 8.230 0.092 -0.383 0.439 192 Q N 1.855 121.753 119.800 0.164 0.000 2.320 192 Q HA -0.297 4.174 4.340 0.218 0.000 0.311 192 Q C 0.960 177.166 176.000 0.344 0.000 1.083 192 Q CA 1.753 57.701 55.803 0.241 0.000 1.001 192 Q CB -0.209 28.682 28.738 0.254 0.000 1.074 192 Q HN 0.582 8.929 8.270 0.128 0.000 0.379 193 G N 6.569 115.556 108.800 0.311 0.000 2.213 193 G HA2 -0.424 3.704 3.960 0.281 0.000 0.226 193 G HA3 -0.424 3.822 3.960 0.477 0.000 0.226 193 G C 0.633 175.758 174.900 0.374 0.000 0.992 193 G CA 0.948 46.268 45.100 0.367 0.000 0.632 193 G HN 0.795 9.243 8.290 0.263 0.000 0.511 194 D N 1.626 122.183 120.400 0.261 0.000 2.323 194 D HA -0.004 4.770 4.640 0.224 0.000 0.209 194 D C 0.168 176.571 176.300 0.171 0.000 0.973 194 D CA 1.770 55.892 54.000 0.204 0.000 0.874 194 D CB 0.122 41.012 40.800 0.149 0.000 0.930 194 D HN 0.229 8.668 8.370 0.235 0.073 0.521 195 S N -1.342 114.457 115.700 0.165 0.000 2.558 195 S HA -0.285 4.415 4.470 0.153 -0.139 0.291 195 S C 1.329 175.940 174.600 0.019 0.000 1.306 195 S CA 2.426 60.702 58.200 0.126 0.000 1.056 195 S CB -0.190 63.128 63.200 0.196 0.000 0.836 195 S HN -0.228 8.162 8.310 0.199 0.039 0.504 196 G N 4.488 113.291 108.800 0.005 0.000 2.253 196 G HA2 -0.429 3.590 3.960 -0.028 0.000 0.251 196 G HA3 -0.429 3.597 3.960 -0.072 -0.109 0.251 196 G C -0.219 174.717 174.900 0.060 0.000 0.998 196 G CA 0.413 45.503 45.100 -0.016 0.000 0.621 196 G HN 0.840 9.051 8.290 0.052 0.111 0.524 197 G N 0.912 109.775 108.800 0.106 0.000 2.621 197 G HA2 0.349 4.459 3.960 0.135 0.000 0.271 197 G HA3 0.349 4.391 3.960 0.137 0.000 0.271 197 G C -2.674 172.318 174.900 0.154 0.000 1.236 197 G CA -1.962 43.219 45.100 0.135 0.000 0.958 197 G HN -0.264 7.997 8.290 0.110 0.095 0.512 198 P HA 0.272 4.766 4.420 0.123 0.000 0.284 198 P C -1.488 175.870 177.300 0.097 0.000 1.253 198 P CA -0.622 62.571 63.100 0.155 0.000 0.800 198 P CB 1.548 33.427 31.700 0.299 0.000 0.961 199 V N 2.471 122.398 119.914 0.021 0.000 2.376 199 V HA 0.324 4.574 4.120 -0.076 -0.175 0.287 199 V C -1.471 174.579 176.094 -0.073 0.000 1.015 199 V CA -1.050 61.198 62.300 -0.087 0.000 0.834 199 V CB 1.663 33.319 31.823 -0.279 0.000 1.001 199 V HN 0.070 8.277 8.190 0.028 0.000 0.428 200 V N 7.064 126.949 119.914 -0.048 0.000 2.448 200 V HA 0.568 4.827 4.120 -0.114 -0.207 0.295 200 V C -1.327 174.737 176.094 -0.050 0.000 1.025 200 V CA -2.046 60.207 62.300 -0.079 0.000 0.859 200 V CB 2.561 34.312 31.823 -0.120 0.000 0.988 200 V HN 0.630 8.816 8.190 -0.005 0.000 0.431 201 c N 6.640 125.204 118.600 -0.061 0.000 2.397 201 c HA 0.573 5.235 4.570 -0.030 -0.109 0.325 201 c C 0.194 174.262 174.090 -0.037 0.000 1.201 201 c CA -1.473 54.830 56.329 -0.044 0.000 1.377 201 c CB 2.399 44.876 42.510 -0.054 0.000 2.038 201 c HN 0.831 9.016 8.230 -0.076 0.000 0.457 202 N N 5.922 124.610 118.700 -0.021 0.000 2.714 202 N HA -0.421 4.316 4.740 -0.006 0.000 0.252 202 N C -0.062 175.433 175.510 -0.025 0.000 1.014 202 N CA 1.053 54.094 53.050 -0.016 0.000 0.735 202 N CB -0.589 37.889 38.487 -0.016 0.000 0.924 202 N HN 0.771 9.144 8.380 -0.012 0.000 0.540 203 G N -6.419 102.362 108.800 -0.032 0.000 2.153 203 G HA2 -0.409 3.518 3.960 -0.054 0.000 0.252 203 G HA3 -0.409 3.533 3.960 -0.029 0.000 0.252 203 G C -1.283 173.561 174.900 -0.093 0.000 0.994 203 G CA 0.316 45.385 45.100 -0.051 0.000 0.698 203 G HN 0.239 8.517 8.290 -0.020 0.000 0.521 210 Q N 1.101 120.880 119.800 -0.035 0.000 2.396 210 Q HA 0.196 4.543 4.340 0.012 0.000 0.220 210 Q C -0.204 175.806 176.000 0.016 0.000 0.900 210 Q CA 0.170 55.966 55.803 -0.011 0.000 0.925 210 Q CB 2.558 31.273 28.738 -0.039 0.000 1.065 210 Q HN 0.396 8.630 8.270 -0.061 0.000 0.535 211 G N -2.792 106.011 108.800 0.005 0.000 2.619 211 G HA2 0.589 4.871 3.960 0.125 0.000 0.296 211 G HA3 0.589 4.552 3.960 0.004 0.000 0.296 211 G C -3.217 171.764 174.900 0.134 0.000 1.334 211 G CA -0.868 44.275 45.100 0.072 0.000 0.934 211 G HN -0.370 7.906 8.290 -0.024 0.000 0.476 212 I N 0.364 121.066 120.570 0.220 0.000 2.436 212 I HA 0.553 5.053 4.170 0.189 -0.217 0.289 212 I C -0.292 176.004 176.117 0.299 0.000 1.010 212 I CA -1.414 60.012 61.300 0.210 0.000 1.098 212 I CB 3.785 41.849 38.000 0.106 0.000 1.266 212 I HN -0.342 8.019 8.210 0.252 0.000 0.434 213 V N 8.173 128.269 119.914 0.303 0.000 2.509 213 V HA -0.260 3.797 4.120 -0.105 0.000 0.297 213 V C -0.986 175.137 176.094 0.049 0.000 1.014 213 V CA 2.462 64.844 62.300 0.136 0.000 1.127 213 V CB -1.112 30.822 31.823 0.185 0.000 0.925 213 V HN 0.415 8.766 8.190 0.267 0.000 0.480 214 S N 7.996 123.635 115.700 -0.102 0.000 3.334 214 S HA 0.418 5.192 4.470 0.360 -0.087 0.224 214 S C -1.434 173.292 174.600 0.211 0.000 0.959 214 S CA 0.328 58.621 58.200 0.154 0.000 0.815 214 S CB 2.879 66.171 63.200 0.153 0.000 0.861 214 S HN -0.017 7.996 8.310 -0.495 0.000 0.596 215 W N -1.572 119.621 121.300 -0.178 0.000 2.959 215 W HA 0.314 4.905 4.660 -0.115 0.000 0.358 215 W C -2.842 173.575 176.519 -0.170 0.000 1.228 215 W CA -1.129 56.121 57.345 -0.158 0.000 1.183 215 W CB 1.772 31.136 29.460 -0.161 0.000 1.467 215 W HN 0.056 7.956 8.180 -0.467 0.000 0.578 216 G N -2.410 106.492 108.800 0.170 0.000 2.506 216 G HA2 0.136 3.948 3.960 -0.247 0.000 0.292 216 G HA3 0.136 4.124 3.960 0.046 0.000 0.292 216 G C -2.355 172.818 174.900 0.456 0.000 1.425 216 G CA -0.678 44.492 45.100 0.118 0.000 0.788 216 G HN -0.399 8.136 8.290 0.408 0.000 0.490 220 c N 1.040 119.657 118.600 0.028 0.000 3.517 220 c HA 0.433 5.174 4.570 0.081 -0.122 0.202 220 c C -1.181 172.942 174.090 0.055 0.000 1.370 220 c CA -2.020 54.343 56.329 0.057 0.000 1.308 220 c CB -1.739 40.801 42.510 0.050 0.000 1.840 220 c HN 0.115 8.347 8.230 0.002 0.000 0.525 221 Q N -0.842 119.003 119.800 0.075 0.000 2.944 221 Q HA 0.039 4.412 4.340 0.055 0.000 0.247 221 Q C -1.657 174.383 176.000 0.066 0.000 0.985 221 Q CA -0.205 55.641 55.803 0.071 0.000 0.872 221 Q CB 2.749 31.547 28.738 0.099 0.000 2.052 221 Q HN 0.230 8.552 8.270 0.087 0.000 0.515 222 K N 2.045 122.475 120.400 0.050 0.000 2.489 222 K HA -0.234 4.250 4.320 0.044 -0.138 0.278 222 K C 0.963 177.570 176.600 0.011 0.000 1.000 222 K CA 1.035 57.343 56.287 0.035 0.000 1.012 222 K CB 0.367 32.883 32.500 0.026 0.000 0.903 222 K HN 0.334 8.612 8.250 0.047 0.000 0.485 223 N N 3.571 122.266 118.700 -0.008 0.000 2.693 223 N HA -0.387 4.324 4.740 -0.047 0.000 0.249 223 N C -1.939 173.470 175.510 -0.168 0.000 1.119 223 N CA 1.691 54.701 53.050 -0.067 0.000 0.717 223 N CB -0.570 37.873 38.487 -0.073 0.000 1.071 223 N HN 0.804 9.084 8.380 0.016 0.110 0.555 224 K N -3.190 117.154 120.400 -0.094 0.000 2.954 224 K HA 0.520 4.528 4.320 -0.520 0.000 0.171 224 K C -2.599 174.063 176.600 0.104 0.000 1.079 224 K CA -3.624 52.595 56.287 -0.112 0.000 0.908 224 K CB -0.093 32.448 32.500 0.068 0.000 1.142 224 K HN -0.777 7.426 8.250 -0.005 0.044 0.613 225 P HA 0.008 4.511 4.420 0.139 0.000 0.272 225 P C 0.062 177.455 177.300 0.156 0.000 1.240 225 P CA -0.536 62.650 63.100 0.143 0.000 0.791 225 P CB 0.942 32.703 31.700 0.102 0.000 0.978 226 G N -1.858 107.016 108.800 0.123 0.000 2.491 226 G HA2 0.147 4.005 3.960 -0.171 0.000 0.238 226 G HA3 0.147 4.199 3.960 0.040 -0.068 0.238 226 G C -1.311 173.451 174.900 -0.229 0.000 1.277 226 G CA -0.189 44.874 45.100 -0.062 0.000 0.851 226 G HN -0.048 8.390 8.290 0.181 -0.039 0.573 227 V N 2.772 122.232 119.914 -0.757 0.000 2.513 227 V HA 0.544 4.601 4.120 -0.384 -0.167 0.299 227 V C -1.029 174.534 176.094 -0.886 0.000 1.035 227 V CA -1.217 60.584 62.300 -0.830 0.000 0.889 227 V CB 2.279 33.104 31.823 -1.663 0.000 0.988 227 V HN 0.601 8.277 8.190 -0.857 0.000 0.440 228 Y N 5.012 125.194 120.300 -0.197 0.000 2.477 228 Y HA 0.570 5.264 4.550 -0.026 -0.159 0.347 228 Y C 0.122 176.026 175.900 0.007 0.000 0.981 228 Y CA -2.042 56.023 58.100 -0.057 0.000 1.033 228 Y CB 4.183 42.620 38.460 -0.037 0.000 1.245 228 Y HN 1.073 9.349 8.280 -0.006 0.000 0.455 229 T N 5.750 120.410 114.554 0.177 0.000 2.867 229 T HA -0.106 4.509 4.350 0.176 -0.160 0.297 229 T C -0.268 174.552 174.700 0.200 0.000 0.989 229 T CA 2.079 64.278 62.100 0.164 0.000 1.159 229 T CB 0.131 69.042 68.868 0.072 0.000 0.928 229 T HN 0.401 8.741 8.240 0.167 0.000 0.538 230 K N 8.670 129.211 120.400 0.236 0.000 2.110 230 K HA -0.011 4.398 4.320 0.148 0.000 0.260 230 K C 1.156 177.928 176.600 0.287 0.000 1.126 230 K CA -0.323 56.083 56.287 0.199 0.000 1.005 230 K CB -0.424 32.153 32.500 0.129 0.000 1.336 230 K HN 0.252 8.545 8.250 0.256 0.111 0.369 231 V N 5.377 125.436 119.914 0.242 0.000 2.490 231 V HA -0.428 3.968 4.120 0.460 0.000 0.250 231 V C 1.472 177.715 176.094 0.247 0.000 1.061 231 V CA 3.615 66.093 62.300 0.296 0.000 1.064 231 V CB -0.757 31.161 31.823 0.158 0.000 0.670 231 V HN 0.294 8.586 8.190 0.170 0.000 0.461 232 c N -3.277 115.395 118.600 0.119 0.000 2.422 232 c HA -0.193 4.413 4.570 0.060 0.000 0.286 232 c C 1.817 175.904 174.090 -0.006 0.000 1.412 232 c CA 1.169 57.529 56.329 0.052 0.000 1.786 232 c CB -2.096 40.426 42.510 0.020 0.000 1.835 232 c HN 0.541 8.805 8.230 0.102 0.027 0.533 233 N N 1.321 119.963 118.700 -0.096 0.000 2.512 233 N HA -0.141 4.459 4.740 -0.232 0.000 0.183 233 N C 0.462 175.683 175.510 -0.482 0.000 1.073 233 N CA 1.552 54.383 53.050 -0.365 0.000 0.911 233 N CB -0.253 37.852 38.487 -0.636 0.000 0.964 233 N HN -0.270 8.062 8.380 -0.020 0.036 0.447 234 Y N -4.529 115.832 120.300 0.102 0.000 2.612 234 Y HA 0.151 4.852 4.550 0.251 0.000 0.250 234 Y C 0.167 176.185 175.900 0.197 0.000 1.175 234 Y CA -0.758 57.464 58.100 0.204 0.000 1.205 234 Y CB 0.221 38.827 38.460 0.243 0.000 1.201 234 Y HN -0.139 8.047 8.280 0.144 0.180 0.532 235 V N 1.252 121.280 119.914 0.188 0.000 2.343 235 V HA -0.540 3.646 4.120 0.111 0.000 0.247 235 V C 1.543 177.688 176.094 0.085 0.000 1.051 235 V CA 4.680 67.047 62.300 0.111 0.000 1.036 235 V CB -0.754 31.101 31.823 0.054 0.000 0.654 235 V HN -0.630 7.630 8.190 0.116 0.000 0.451 236 N N -0.331 118.430 118.700 0.101 0.000 2.084 236 N HA -0.287 4.471 4.740 0.030 0.000 0.190 236 N C 1.752 177.328 175.510 0.109 0.000 1.030 236 N CA 3.225 56.324 53.050 0.082 0.000 0.849 236 N CB -0.687 37.852 38.487 0.087 0.000 1.012 236 N HN 0.096 8.535 8.380 0.099 0.000 0.423 237 W N 1.089 122.436 121.300 0.080 0.000 2.358 237 W HA -0.134 4.730 4.660 0.050 -0.173 0.303 237 W C 1.864 178.397 176.519 0.024 0.000 1.208 237 W CA 3.294 60.698 57.345 0.098 0.000 1.274 237 W CB -0.041 29.584 29.460 0.275 0.000 1.138 237 W HN -0.270 8.160 8.180 0.416 0.000 0.515 238 I N -0.806 119.683 120.570 -0.135 0.000 2.202 238 I HA -0.702 2.977 4.170 -0.819 0.000 0.242 238 I C 2.215 178.059 176.117 -0.455 0.000 1.091 238 I CA 4.306 65.357 61.300 -0.414 0.000 1.368 238 I CB -0.251 37.676 38.000 -0.122 0.000 1.058 238 I HN 0.309 8.640 8.210 0.201 0.000 0.410 239 Q N -1.606 118.038 119.800 -0.260 0.000 2.119 239 Q HA -0.346 3.822 4.340 -0.286 0.000 0.201 239 Q C 2.918 178.753 176.000 -0.275 0.000 0.972 239 Q CA 3.034 58.691 55.803 -0.243 0.000 0.847 239 Q CB -0.692 27.968 28.738 -0.130 0.000 0.903 239 Q HN -0.114 8.071 8.270 -0.143 0.000 0.433 240 Q N 0.078 119.723 119.800 -0.258 0.000 2.030 240 Q HA -0.344 3.901 4.340 -0.158 0.000 0.204 240 Q C 2.632 178.431 176.000 -0.335 0.000 0.986 240 Q CA 3.403 59.066 55.803 -0.232 0.000 0.843 240 Q CB -0.108 28.528 28.738 -0.170 0.000 0.904 240 Q HN 0.089 8.226 8.270 -0.222 0.000 0.420 241 T N 2.078 116.289 114.554 -0.571 0.000 2.746 241 T HA -0.346 3.752 4.350 -0.420 0.000 0.267 241 T C 2.154 176.459 174.700 -0.658 0.000 1.039 241 T CA 4.657 66.371 62.100 -0.643 0.000 1.142 241 T CB -0.200 68.043 68.868 -1.040 0.000 0.866 241 T HN -0.231 7.581 8.240 -0.713 0.000 0.444 242 I N 0.379 120.443 120.570 -0.844 0.000 2.179 242 I HA -0.445 2.912 4.170 -1.356 0.000 0.242 242 I C 2.239 178.180 176.117 -0.293 0.000 1.088 242 I CA 3.680 64.461 61.300 -0.866 0.000 1.357 242 I CB -0.369 37.118 38.000 -0.854 0.000 1.051 242 I HN -0.088 7.649 8.210 -0.788 0.000 0.409 243 A N -0.086 122.596 122.820 -0.230 0.000 1.972 243 A HA -0.239 4.042 4.320 -0.064 0.000 0.219 243 A C 1.204 178.757 177.584 -0.052 0.000 1.169 243 A CA 2.738 54.713 52.037 -0.103 0.000 0.635 243 A CB -0.513 18.427 19.000 -0.099 0.000 0.810 243 A HN 0.024 8.000 8.150 -0.290 0.000 0.446 244 A N -4.987 117.790 122.820 -0.072 0.000 2.208 244 A HA 0.004 4.318 4.320 -0.009 0.000 0.209 244 A C -0.715 176.895 177.584 0.043 0.000 1.161 244 A CA 0.726 52.750 52.037 -0.022 0.000 0.782 244 A CB 0.468 19.440 19.000 -0.046 0.000 0.816 244 A HN -0.160 7.886 8.150 -0.145 0.017 0.477 245 N N 0.000 118.768 118.700 0.114 0.000 1.763 245 N HA 0.000 4.832 4.740 0.154 0.000 0.220 245 N CA 0.000 53.192 53.050 0.236 0.000 0.885 245 N CB 0.000 38.732 38.487 0.408 0.000 1.341 245 N HN 0.000 8.274 8.380 0.083 0.156 0.667