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 1gj5_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF 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 4.213 4.170 0.072 0.000 0.288 16 I C 0.000 176.150 176.117 0.055 0.000 1.063 16 I CA 0.000 61.334 61.300 0.057 0.000 1.566 16 I CB 0.000 38.020 38.000 0.033 0.000 1.214 17 V N 5.063 125.015 119.914 0.062 0.000 2.459 17 V HA 0.325 4.599 4.120 0.047 -0.126 0.295 17 V C 0.173 176.302 176.094 0.058 0.000 1.029 17 V CA -1.733 60.600 62.300 0.055 0.000 0.874 17 V CB 2.002 33.857 31.823 0.054 0.000 0.985 17 V HN 0.946 9.077 8.190 0.073 0.104 0.438 18 E N 1.650 121.877 120.200 0.045 0.000 2.476 18 E HA -0.410 3.957 4.350 0.029 0.000 0.251 18 E C -1.118 175.511 176.600 0.047 0.000 1.130 18 E CA 1.185 57.609 56.400 0.040 0.000 0.736 18 E CB -2.297 27.427 29.700 0.040 0.000 1.298 18 E HN 0.942 9.325 8.360 0.039 0.000 0.400 19 G N -3.914 104.911 108.800 0.042 0.000 2.597 19 G HA2 0.443 4.425 3.960 0.046 0.000 0.317 19 G HA3 0.443 4.468 3.960 0.035 -0.044 0.317 19 G C -1.669 173.244 174.900 0.021 0.000 1.230 19 G CA -1.052 44.070 45.100 0.037 0.000 0.996 19 G HN -0.590 7.694 8.290 0.038 0.029 0.490 20 S N -1.390 114.317 115.700 0.013 0.000 2.751 20 S HA 0.276 4.753 4.470 0.012 0.000 0.310 20 S C -1.284 173.315 174.600 -0.002 0.000 1.128 20 S CA -1.440 56.766 58.200 0.009 0.000 0.931 20 S CB 2.860 66.068 63.200 0.013 0.000 1.177 20 S HN 0.233 8.550 8.310 0.011 0.000 0.530 21 D N 0.802 121.206 120.400 0.007 0.000 2.414 21 D HA -0.041 4.862 4.640 -0.021 -0.276 0.242 21 D C 0.212 176.527 176.300 0.025 0.000 1.129 21 D CA 1.017 55.022 54.000 0.009 0.000 0.885 21 D CB 0.518 41.342 40.800 0.040 0.000 1.198 21 D HN 0.111 8.489 8.370 0.014 0.000 0.437 22 A N 4.029 126.869 122.820 0.033 0.000 2.280 22 A HA 0.017 4.331 4.320 -0.011 0.000 0.268 22 A C -0.675 176.983 177.584 0.124 0.000 1.111 22 A CA -0.669 51.393 52.037 0.040 0.000 0.814 22 A CB 1.762 20.760 19.000 -0.003 0.000 1.093 22 A HN 0.584 8.639 8.150 -0.006 0.091 0.498 23 E N -1.545 118.665 120.200 0.017 0.000 2.239 23 E HA 0.144 4.475 4.350 -0.032 0.000 0.261 23 E C -0.693 175.831 176.600 -0.127 0.000 1.016 23 E CA -1.912 54.461 56.400 -0.045 0.000 0.882 23 E CB 1.463 31.126 29.700 -0.062 0.000 1.190 23 E HN 0.046 8.387 8.360 -0.033 0.000 0.415 24 I N 0.634 121.078 120.570 -0.209 0.000 2.556 24 I HA -0.082 3.875 4.170 -0.354 0.000 0.284 24 I C 1.046 177.105 176.117 -0.097 0.000 1.114 24 I CA 0.604 61.767 61.300 -0.228 0.000 1.418 24 I CB -0.369 37.521 38.000 -0.182 0.000 1.394 24 I HN 0.190 8.296 8.210 -0.173 0.000 0.552 25 G N 4.777 113.547 108.800 -0.050 0.000 2.168 25 G HA2 -0.402 3.508 3.960 -0.083 0.000 0.257 25 G HA3 -0.402 3.487 3.960 -0.119 0.000 0.257 25 G C -0.120 174.623 174.900 -0.261 0.000 0.997 25 G CA 0.801 45.831 45.100 -0.116 0.000 0.708 25 G HN 0.152 8.432 8.290 -0.017 0.000 0.520 26 M N -1.069 118.372 119.600 -0.264 0.000 2.200 26 M HA -0.173 4.112 4.480 -0.325 0.000 0.265 26 M C -0.539 175.388 176.300 -0.622 0.000 1.066 26 M CA 2.493 57.581 55.300 -0.353 0.000 1.127 26 M CB 0.909 33.367 32.600 -0.235 0.000 1.379 26 M HN -0.704 7.423 8.290 -0.192 0.048 0.420 27 S N -3.278 112.022 115.700 -0.667 0.000 2.062 27 S HA 0.486 3.926 4.470 -1.716 0.000 0.163 27 S C -1.729 172.212 174.600 -1.098 0.000 1.612 27 S CA -2.134 55.409 58.200 -1.095 0.000 1.251 27 S CB 0.385 63.245 63.200 -0.567 0.000 1.174 27 S HN -0.070 7.966 8.310 -0.456 0.000 0.428 28 P HA 0.155 4.483 4.420 -0.303 -0.090 0.234 28 P C -0.056 177.063 177.300 -0.303 0.000 1.167 28 P CA 1.508 64.293 63.100 -0.526 0.000 0.763 28 P CB 0.029 31.499 31.700 -0.383 0.000 0.835 29 W N -5.169 116.114 121.300 -0.028 0.000 3.197 29 W HA 0.258 4.978 4.660 -0.005 -0.063 0.274 29 W C -0.631 175.903 176.519 0.026 0.000 1.297 29 W CA -3.072 54.267 57.345 -0.010 0.000 1.662 29 W CB -1.348 28.096 29.460 -0.028 0.000 1.106 29 W HN -0.481 6.607 8.180 -1.669 0.091 0.663 30 Q N 2.558 122.371 119.800 0.022 0.000 2.311 30 Q HA 0.002 4.449 4.340 0.178 0.000 0.272 30 Q C -1.152 174.962 176.000 0.190 0.000 1.012 30 Q CA 0.664 56.522 55.803 0.092 0.000 0.891 30 Q CB 0.175 28.849 28.738 -0.107 0.000 1.201 30 Q HN -0.128 7.810 8.270 -0.270 0.170 0.391 31 V N 5.386 125.446 119.914 0.244 0.000 2.815 31 V HA 0.369 4.769 4.120 0.262 -0.123 0.314 31 V C -1.423 174.891 176.094 0.367 0.000 1.064 31 V CA -1.741 60.721 62.300 0.272 0.000 0.952 31 V CB 3.522 35.475 31.823 0.218 0.000 1.020 31 V HN 0.078 8.404 8.190 0.226 0.000 0.439 32 M N 3.569 123.356 119.600 0.311 0.000 2.253 32 M HA 0.433 5.271 4.480 0.397 -0.120 0.314 32 M C -2.065 174.358 176.300 0.205 0.000 1.019 32 M CA -1.237 54.231 55.300 0.280 0.000 0.932 32 M CB 3.496 36.112 32.600 0.026 0.000 1.606 32 M HN 0.072 8.499 8.290 0.228 0.000 0.430 33 L N 6.163 127.509 121.223 0.205 0.000 2.265 33 L HA 0.411 4.970 4.340 0.164 -0.121 0.288 33 L C -1.863 175.129 176.870 0.204 0.000 1.058 33 L CA -0.692 54.248 54.840 0.167 0.000 0.809 33 L CB 0.693 42.820 42.059 0.114 0.000 1.179 33 L HN 0.649 9.011 8.230 0.220 0.000 0.429 34 F N 5.833 125.789 119.950 0.011 0.000 2.508 34 F HA 0.741 5.409 4.527 -0.016 -0.150 0.325 34 F C -2.142 173.653 175.800 -0.009 0.000 1.090 34 F CA -1.908 56.086 58.000 -0.011 0.000 0.945 34 F CB 4.415 43.399 39.000 -0.026 0.000 1.156 34 F HN 1.023 9.484 8.300 0.268 0.000 0.463 35 R N 4.281 124.465 120.500 -0.527 0.000 2.596 35 R HA 0.578 4.958 4.340 -0.161 -0.137 0.216 35 R C -0.151 175.909 176.300 -0.400 0.000 1.348 35 R CA -2.302 53.596 56.100 -0.337 0.000 1.009 35 R CB 3.045 33.166 30.300 -0.298 0.000 1.947 35 R HN 0.858 8.588 8.270 -0.900 0.000 0.526 36 S N -0.706 114.935 115.700 -0.099 0.000 2.498 36 S HA 0.099 4.578 4.470 -0.086 -0.061 0.281 36 S C -0.931 173.614 174.600 -0.092 0.000 1.265 36 S CA -0.580 57.570 58.200 -0.082 0.000 1.071 36 S CB 0.126 63.296 63.200 -0.049 0.000 0.894 36 S HN -0.337 7.916 8.310 -0.095 0.000 0.491 37 P HA -0.036 4.336 4.420 -0.081 0.000 0.269 37 P C -1.696 175.484 177.300 -0.199 0.000 1.215 37 P CA -0.366 62.668 63.100 -0.110 0.000 0.780 37 P CB 0.699 32.346 31.700 -0.088 0.000 0.898 38 Q N 0.960 120.651 119.800 -0.182 0.000 2.381 38 Q HA 0.142 4.415 4.340 -0.603 -0.295 0.243 38 Q C -0.781 174.952 176.000 -0.445 0.000 1.154 38 Q CA -0.043 55.554 55.803 -0.344 0.000 0.899 38 Q CB 0.145 28.912 28.738 0.050 0.000 1.396 38 Q HN 0.292 8.503 8.270 -0.098 0.000 0.485 39 E N 0.430 120.164 120.200 -0.777 0.000 2.413 39 E HA 0.252 4.476 4.350 -0.209 0.000 0.277 39 E C -1.992 174.341 176.600 -0.444 0.000 0.958 39 E CA -2.410 53.732 56.400 -0.430 0.000 0.779 39 E CB 3.025 32.603 29.700 -0.203 0.000 1.278 39 E HN -0.308 7.466 8.360 -0.977 0.000 0.456 40 L N 1.752 122.928 121.223 -0.079 0.000 2.410 40 L HA -0.001 4.438 4.340 0.166 0.000 0.273 40 L C -1.021 175.856 176.870 0.013 0.000 1.144 40 L CA 1.168 56.046 54.840 0.063 0.000 0.863 40 L CB 0.062 42.181 42.059 0.100 0.000 1.140 40 L HN 0.460 8.678 8.230 -0.019 0.000 0.463 41 L N 6.766 128.007 121.223 0.031 0.000 2.347 41 L HA 0.269 4.612 4.340 0.005 0.000 0.196 41 L C -0.350 176.560 176.870 0.068 0.000 1.072 41 L CA 1.158 56.011 54.840 0.022 0.000 0.817 41 L CB 2.653 44.711 42.059 -0.002 0.000 1.029 41 L HN 0.533 8.806 8.230 0.071 0.000 0.478 42 c N -6.634 112.027 118.600 0.101 0.000 3.293 42 c HA 0.166 4.812 4.570 0.127 0.000 0.362 42 c C -1.688 172.513 174.090 0.185 0.000 1.539 42 c CA -0.820 55.579 56.329 0.116 0.000 1.201 42 c CB 3.805 46.341 42.510 0.043 0.000 1.770 42 c HN -0.824 7.476 8.230 0.116 0.000 0.440 43 G N -1.891 107.016 108.800 0.178 0.000 2.552 43 G HA2 0.822 5.097 3.960 0.307 0.000 0.324 43 G HA3 0.822 4.898 3.960 0.193 0.000 0.324 43 G C -2.989 172.018 174.900 0.179 0.000 1.217 43 G CA -1.475 43.758 45.100 0.220 0.000 0.989 43 G HN 0.571 8.942 8.290 0.135 0.000 0.490 44 A N -3.107 119.830 122.820 0.194 0.000 2.511 44 A HA 1.015 5.715 4.320 0.169 -0.279 0.293 44 A C -2.373 175.333 177.584 0.204 0.000 1.098 44 A CA -0.350 51.797 52.037 0.183 0.000 0.643 44 A CB 2.700 21.806 19.000 0.177 0.000 1.302 44 A HN -0.417 7.860 8.150 0.212 0.000 0.446 45 S N -2.662 113.162 115.700 0.207 0.000 2.564 45 S HA 0.912 5.744 4.470 0.261 -0.205 0.274 45 S C -1.085 173.647 174.600 0.220 0.000 1.124 45 S CA -1.712 56.627 58.200 0.232 0.000 0.869 45 S CB 3.905 67.230 63.200 0.208 0.000 1.105 45 S HN 0.422 8.851 8.310 0.200 0.000 0.472 46 L N 3.011 124.376 121.223 0.235 0.000 2.264 46 L HA 0.424 5.016 4.340 0.211 -0.125 0.289 46 L C -0.528 176.439 176.870 0.161 0.000 1.044 46 L CA -0.558 54.404 54.840 0.204 0.000 0.807 46 L CB 1.760 43.935 42.059 0.193 0.000 1.192 46 L HN 0.294 8.699 8.230 0.292 0.000 0.425 47 I N -0.986 119.684 120.570 0.168 0.000 4.187 47 I HA 0.500 4.700 4.170 0.050 0.000 0.326 47 I C -0.875 175.314 176.117 0.120 0.000 1.302 47 I CA -0.587 60.780 61.300 0.110 0.000 1.196 47 I CB 1.742 39.810 38.000 0.114 0.000 1.095 47 I HN 0.440 8.782 8.210 0.221 0.000 0.411 48 S N -0.866 114.961 115.700 0.210 0.000 2.752 48 S HA 0.170 4.766 4.470 0.210 0.000 0.284 48 S C -1.406 173.412 174.600 0.364 0.000 1.189 48 S CA -0.797 57.564 58.200 0.268 0.000 0.835 48 S CB 2.487 65.879 63.200 0.320 0.000 1.192 48 S HN -0.802 7.658 8.310 0.250 0.000 0.506 49 D N -4.267 116.379 120.400 0.410 0.000 2.363 49 D HA -0.072 4.891 4.640 0.538 0.000 0.220 49 D C 0.475 176.865 176.300 0.149 0.000 0.994 49 D CA 1.760 55.949 54.000 0.315 0.000 0.890 49 D CB -0.189 40.601 40.800 -0.017 0.000 0.906 49 D HN 0.310 8.901 8.370 0.368 0.000 0.530 50 R N -2.902 117.677 120.500 0.130 0.000 2.521 50 R HA 0.324 4.612 4.340 -0.086 0.000 0.289 50 R C -1.750 174.400 176.300 -0.250 0.000 0.936 50 R CA 0.018 56.059 56.100 -0.098 0.000 1.089 50 R CB 2.351 32.497 30.300 -0.256 0.000 1.348 50 R HN -0.487 7.868 8.270 0.240 0.059 0.536 51 W N -2.112 119.253 121.300 0.109 0.000 2.736 51 W HA 0.713 5.634 4.660 0.111 -0.195 0.335 51 W C -1.363 175.225 176.519 0.115 0.000 1.059 51 W CA -0.782 56.626 57.345 0.105 0.000 1.226 51 W CB 3.215 32.723 29.460 0.081 0.000 1.416 51 W HN -0.442 7.945 8.180 0.345 0.000 0.505 52 V N 1.416 121.559 119.914 0.381 0.000 2.769 52 V HA 0.895 5.361 4.120 0.261 -0.189 0.312 52 V C -2.023 174.252 176.094 0.302 0.000 1.061 52 V CA -1.567 60.901 62.300 0.280 0.000 0.931 52 V CB 3.672 35.618 31.823 0.206 0.000 1.010 52 V HN 0.808 9.248 8.190 0.417 0.000 0.433 53 L N 5.997 127.369 121.223 0.249 0.000 2.346 53 L HA 0.890 5.537 4.340 0.272 -0.144 0.276 53 L C -1.801 175.191 176.870 0.202 0.000 1.006 53 L CA -1.392 53.591 54.840 0.238 0.000 0.817 53 L CB 3.723 45.910 42.059 0.213 0.000 1.272 53 L HN 0.446 8.812 8.230 0.227 0.000 0.421 54 T N 4.716 119.382 114.554 0.186 0.000 2.647 54 T HA 0.507 5.129 4.350 0.137 -0.190 0.295 54 T C -2.170 172.584 174.700 0.091 0.000 1.126 54 T CA -2.687 59.491 62.100 0.129 0.000 1.040 54 T CB 2.557 71.487 68.868 0.105 0.000 1.472 54 T HN 0.572 8.938 8.240 0.210 0.000 0.500 55 A N 0.136 122.962 122.820 0.011 0.000 2.301 55 A HA 0.502 4.990 4.320 0.012 -0.160 0.312 55 A C 0.325 177.816 177.584 -0.155 0.000 1.182 55 A CA -2.045 49.961 52.037 -0.052 0.000 0.826 55 A CB 1.398 20.335 19.000 -0.105 0.000 1.134 55 A HN 0.362 8.507 8.150 -0.009 0.000 0.501 56 A N 4.979 127.659 122.820 -0.233 0.000 2.070 56 A HA -0.253 3.928 4.320 -0.231 0.000 0.220 56 A C 1.014 178.362 177.584 -0.393 0.000 1.159 56 A CA 2.919 54.703 52.037 -0.421 0.000 0.656 56 A CB -0.591 17.853 19.000 -0.926 0.000 0.800 56 A HN 0.835 8.862 8.150 -0.198 0.004 0.453 57 H N -5.040 113.878 119.070 -0.254 0.000 2.559 57 H HA -0.045 4.784 4.556 0.113 -0.205 0.273 57 H C 0.507 175.850 175.328 0.025 0.000 1.000 57 H CA 1.349 57.407 56.048 0.017 0.000 1.195 57 H CB -0.985 28.871 29.762 0.157 0.000 1.368 57 H HN -0.076 8.360 8.280 -0.162 -0.253 0.592 58 c N -2.084 116.354 118.600 -0.271 0.000 2.485 58 c HA -0.157 4.333 4.570 -0.134 0.000 0.277 58 c C -0.172 173.884 174.090 -0.056 0.000 1.376 58 c CA 1.450 57.670 56.329 -0.181 0.000 1.759 58 c CB -0.628 41.768 42.510 -0.191 0.000 1.970 58 c HN -0.632 7.226 8.230 -0.319 0.181 0.509 59 L N -2.878 118.313 121.223 -0.053 0.000 2.365 59 L HA 0.255 4.582 4.340 -0.022 0.000 0.267 59 L C 0.131 176.993 176.870 -0.014 0.000 1.033 59 L CA -0.842 53.982 54.840 -0.026 0.000 0.802 59 L CB 1.175 43.221 42.059 -0.023 0.000 1.267 59 L HN -0.665 7.363 8.230 -0.087 0.150 0.457 60 T N 0.417 114.950 114.554 -0.034 0.000 2.936 60 T HA 0.291 4.614 4.350 -0.044 0.000 0.282 60 T C 0.922 175.599 174.700 -0.038 0.000 1.003 60 T CA -1.669 60.407 62.100 -0.039 0.000 1.005 60 T CB 1.726 70.572 68.868 -0.038 0.000 1.097 60 T HN 0.173 8.619 8.240 -0.033 -0.226 0.532 61 E N 4.357 124.528 120.200 -0.048 0.000 2.086 61 E HA -0.459 3.865 4.350 -0.044 0.000 0.205 61 E C 1.850 178.432 176.600 -0.030 0.000 1.027 61 E CA 3.542 59.915 56.400 -0.046 0.000 0.830 61 E CB -0.580 29.085 29.700 -0.059 0.000 0.751 61 E HN 0.661 8.986 8.360 -0.058 0.000 0.456 62 N N -3.032 115.650 118.700 -0.030 0.000 2.585 62 N HA -0.229 4.499 4.740 -0.020 0.000 0.188 62 N C -0.232 175.265 175.510 -0.020 0.000 1.102 62 N CA 2.113 55.149 53.050 -0.023 0.000 0.920 62 N CB -0.713 37.759 38.487 -0.024 0.000 0.963 62 N HN 0.204 8.560 8.380 -0.035 0.003 0.447 63 D N -2.682 117.704 120.400 -0.023 0.000 2.407 63 D HA 0.164 4.787 4.640 -0.028 0.000 0.208 63 D C -1.361 174.925 176.300 -0.022 0.000 1.083 63 D CA 0.556 54.540 54.000 -0.027 0.000 0.844 63 D CB 1.227 42.005 40.800 -0.036 0.000 0.967 63 D HN -0.137 8.035 8.370 -0.025 0.182 0.506 64 L N -2.149 119.071 121.223 -0.006 0.000 2.319 64 L HA 0.754 5.255 4.340 0.011 -0.155 0.267 64 L C -1.587 175.315 176.870 0.052 0.000 1.011 64 L CA -1.146 53.705 54.840 0.019 0.000 0.818 64 L CB 3.114 45.185 42.059 0.021 0.000 1.316 64 L HN -0.699 7.485 8.230 -0.008 0.041 0.432 65 L N -1.135 120.150 121.223 0.104 0.000 2.409 65 L HA 0.538 4.926 4.340 0.080 0.000 0.262 65 L C -2.279 174.674 176.870 0.138 0.000 0.992 65 L CA -1.315 53.601 54.840 0.126 0.000 0.817 65 L CB 5.321 47.499 42.059 0.198 0.000 1.350 65 L HN 0.634 8.938 8.230 0.122 0.000 0.411 66 V N 3.734 123.708 119.914 0.100 0.000 2.417 66 V HA 0.498 4.863 4.120 0.128 -0.169 0.291 66 V C -1.486 174.655 176.094 0.079 0.000 1.024 66 V CA -1.113 61.249 62.300 0.103 0.000 0.861 66 V CB 2.109 33.986 31.823 0.090 0.000 0.985 66 V HN 0.642 8.878 8.190 0.076 0.000 0.436 67 R N 7.328 127.870 120.500 0.069 0.000 2.310 67 R HA 0.779 5.337 4.340 0.023 -0.203 0.324 67 R C -0.765 175.580 176.300 0.075 0.000 0.955 67 R CA -1.441 54.671 56.100 0.020 0.000 0.830 67 R CB 1.549 31.788 30.300 -0.102 0.000 1.154 67 R HN 0.685 9.014 8.270 0.097 0.000 0.458 68 I N 1.677 122.298 120.570 0.084 0.000 2.562 68 I HA 0.284 4.548 4.170 0.157 0.000 0.301 68 I C 0.072 176.250 176.117 0.101 0.000 1.003 68 I CA -1.667 59.706 61.300 0.122 0.000 1.127 68 I CB 2.634 40.715 38.000 0.135 0.000 1.304 68 I HN 0.768 8.912 8.210 0.067 0.106 0.446 69 G N 3.693 112.567 108.800 0.123 0.000 2.141 69 G HA2 -0.436 3.816 3.960 0.139 0.000 0.231 69 G HA3 -0.436 3.576 3.960 0.087 0.000 0.231 69 G C -1.025 173.914 174.900 0.065 0.000 0.984 69 G CA -0.033 45.130 45.100 0.105 0.000 0.660 69 G HN 0.437 8.814 8.290 0.145 0.000 0.525 70 K N -1.818 118.666 120.400 0.140 0.000 2.098 70 K HA 0.194 4.665 4.320 0.032 -0.132 0.244 70 K C -1.804 175.009 176.600 0.355 0.000 1.014 70 K CA -0.055 56.331 56.287 0.166 0.000 0.917 70 K CB 1.179 33.721 32.500 0.071 0.000 1.072 70 K HN -0.437 7.931 8.250 0.196 0.000 0.477 71 H N -0.199 118.989 119.070 0.197 0.000 1.855 71 H HA 0.240 4.953 4.556 0.260 0.000 0.178 71 H C 0.081 175.608 175.328 0.331 0.000 0.923 71 H CA 0.887 57.067 56.048 0.221 0.000 0.993 71 H CB 3.453 33.237 29.762 0.038 0.000 1.078 71 H HN 0.085 8.870 8.280 0.189 -0.391 0.349 72 S N -0.243 115.512 115.700 0.091 0.000 2.565 72 S HA 0.185 4.823 4.470 -0.043 -0.194 0.276 72 S C 0.633 175.115 174.600 -0.198 0.000 1.326 72 S CA -0.579 57.601 58.200 -0.034 0.000 1.045 72 S CB 1.060 64.241 63.200 -0.032 0.000 0.918 72 S HN -0.444 8.352 8.310 0.135 -0.405 0.505 73 R N 6.525 126.875 120.500 -0.251 0.000 2.062 73 R HA -0.146 3.473 4.340 -1.201 0.000 0.226 73 R C 0.934 177.022 176.300 -0.353 0.000 1.125 73 R CA 2.869 58.640 56.100 -0.548 0.000 0.966 73 R CB 0.229 30.374 30.300 -0.258 0.000 0.861 73 R HN 0.770 8.871 8.270 -0.095 0.112 0.433 74 T N -5.604 108.843 114.554 -0.178 0.000 3.060 74 T HA 0.063 4.349 4.350 -0.106 0.000 0.249 74 T C 0.388 175.031 174.700 -0.094 0.000 1.079 74 T CA 0.023 62.058 62.100 -0.108 0.000 1.013 74 T CB 0.356 69.197 68.868 -0.045 0.000 0.975 74 T HN -0.111 8.050 8.240 -0.131 0.000 0.518 75 R N 0.976 121.412 120.500 -0.106 0.000 2.486 75 R HA 0.217 4.538 4.340 -0.031 0.000 0.286 75 R C -0.666 175.588 176.300 -0.078 0.000 0.999 75 R CA -1.819 54.240 56.100 -0.067 0.000 0.993 75 R CB 0.762 31.027 30.300 -0.058 0.000 1.084 75 R HN -0.804 7.389 8.270 -0.128 0.000 0.487 76 Y N 4.830 125.047 120.300 -0.138 0.000 2.488 76 Y HA 0.283 4.887 4.550 -0.196 -0.172 0.385 76 Y C 0.208 176.040 175.900 -0.113 0.000 1.371 76 Y CA -0.528 57.482 58.100 -0.151 0.000 1.712 76 Y CB 1.718 40.098 38.460 -0.132 0.000 1.715 76 Y HN 0.163 8.495 8.280 0.086 0.000 0.607 77 R N 0.909 121.024 120.500 -0.642 0.000 2.560 77 R HA 0.239 4.138 4.340 -0.735 0.000 0.267 77 R C -0.832 175.311 176.300 -0.262 0.000 1.150 77 R CA 0.785 56.602 56.100 -0.473 0.000 0.997 77 R CB 1.342 31.552 30.300 -0.149 0.000 1.250 77 R HN 0.360 8.344 8.270 -0.478 0.000 0.433 78 N N 1.934 120.521 118.700 -0.188 0.000 2.909 78 N HA -0.347 4.363 4.740 -0.050 0.000 0.242 78 N C -1.321 174.126 175.510 -0.106 0.000 0.975 78 N CA 1.469 54.462 53.050 -0.095 0.000 0.921 78 N CB -0.279 38.172 38.487 -0.059 0.000 1.112 78 N HN 0.658 8.927 8.380 -0.186 0.000 0.581 79 I N -3.188 117.269 120.570 -0.188 0.000 3.873 79 I HA -0.056 4.044 4.170 -0.116 0.000 0.284 79 I C -1.777 174.257 176.117 -0.139 0.000 1.186 79 I CA 0.165 61.340 61.300 -0.209 0.000 1.362 79 I CB 2.347 40.110 38.000 -0.396 0.000 1.432 79 I HN -0.399 7.583 8.210 -0.267 0.068 0.454 80 E N 0.226 120.310 120.200 -0.193 0.000 2.283 80 E HA 0.408 4.873 4.350 -0.037 -0.138 0.267 80 E C -0.884 175.689 176.600 -0.045 0.000 1.045 80 E CA -1.219 55.116 56.400 -0.108 0.000 0.884 80 E CB 1.890 31.495 29.700 -0.158 0.000 1.106 80 E HN -0.441 7.739 8.360 -0.299 0.000 0.408 81 K N -0.053 120.359 120.400 0.021 0.000 2.318 81 K HA 0.416 4.772 4.320 0.061 0.000 0.249 81 K C -1.742 174.894 176.600 0.060 0.000 0.942 81 K CA -1.252 55.068 56.287 0.054 0.000 0.808 81 K CB 3.590 36.130 32.500 0.066 0.000 1.189 81 K HN 0.584 8.746 8.250 0.032 0.107 0.428 82 I N 3.273 123.883 120.570 0.067 0.000 2.418 82 I HA 0.878 5.304 4.170 0.043 -0.230 0.287 82 I C -0.289 175.852 176.117 0.041 0.000 1.008 82 I CA -1.066 60.263 61.300 0.049 0.000 1.104 82 I CB 2.042 40.071 38.000 0.048 0.000 1.264 82 I HN 0.342 8.596 8.210 0.072 0.000 0.438 83 S N 7.013 122.737 115.700 0.041 0.000 2.648 83 S HA 0.468 4.949 4.470 0.019 0.000 0.305 83 S C -1.675 172.939 174.600 0.023 0.000 1.094 83 S CA -1.131 57.086 58.200 0.027 0.000 0.983 83 S CB 2.706 65.922 63.200 0.027 0.000 1.101 83 S HN 0.766 9.001 8.310 0.049 0.105 0.514 84 M N -0.183 119.421 119.600 0.006 0.000 2.654 84 M HA 0.166 4.654 4.480 0.013 0.000 0.310 84 M C -1.000 175.289 176.300 -0.017 0.000 1.211 84 M CA -0.706 54.594 55.300 0.000 0.000 0.947 84 M CB 2.331 34.927 32.600 -0.008 0.000 1.647 84 M HN 0.144 8.433 8.290 -0.003 0.000 0.481 85 L N -1.322 119.887 121.223 -0.023 0.000 2.360 85 L HA 0.211 4.641 4.340 -0.058 -0.125 0.271 85 L C -0.963 175.867 176.870 -0.066 0.000 1.057 85 L CA -0.313 54.499 54.840 -0.047 0.000 0.803 85 L CB 0.954 42.990 42.059 -0.038 0.000 1.207 85 L HN 0.556 8.777 8.230 -0.015 0.000 0.445 86 E N 0.567 120.709 120.200 -0.097 0.000 2.192 86 E HA -0.010 4.296 4.350 -0.074 0.000 0.196 86 E C 0.041 176.569 176.600 -0.120 0.000 0.922 86 E CA 1.016 57.358 56.400 -0.096 0.000 0.924 86 E CB 2.155 31.789 29.700 -0.110 0.000 0.911 86 E HN 0.749 8.938 8.360 -0.117 0.101 0.478 87 K N -3.664 116.640 120.400 -0.160 0.000 2.512 87 K HA 0.305 4.579 4.320 -0.258 -0.109 0.263 87 K C -2.324 174.087 176.600 -0.316 0.000 0.966 87 K CA -2.225 53.892 56.287 -0.284 0.000 0.851 87 K CB 4.019 36.306 32.500 -0.355 0.000 1.395 87 K HN -0.639 7.516 8.250 -0.158 0.000 0.440 88 I N 0.235 120.539 120.570 -0.443 0.000 2.545 88 I HA 0.468 4.764 4.170 -0.042 -0.150 0.292 88 I C -0.871 174.978 176.117 -0.447 0.000 1.040 88 I CA -1.185 59.971 61.300 -0.239 0.000 1.068 88 I CB 3.142 41.080 38.000 -0.103 0.000 1.251 88 I HN 0.118 8.119 8.210 -0.504 -0.093 0.424 89 Y N 5.508 125.911 120.300 0.173 0.000 2.338 89 Y HA 0.171 4.816 4.550 0.158 0.000 0.333 89 Y C -1.643 174.464 175.900 0.345 0.000 0.968 89 Y CA -0.906 57.336 58.100 0.237 0.000 1.123 89 Y CB 2.327 40.952 38.460 0.275 0.000 1.165 89 Y HN 0.852 9.337 8.280 0.342 0.000 0.452 90 I N 2.415 123.210 120.570 0.376 0.000 2.498 90 I HA 0.158 4.439 4.170 0.185 0.000 0.301 90 I C -0.525 175.679 176.117 0.145 0.000 0.984 90 I CA -1.771 59.660 61.300 0.219 0.000 1.204 90 I CB 1.562 39.653 38.000 0.153 0.000 1.362 90 I HN 0.380 8.778 8.210 0.314 0.000 0.471 91 H N 7.298 126.170 119.070 -0.330 0.000 3.034 91 H HA 0.004 3.787 4.556 -1.289 0.000 0.324 91 H C 0.410 175.629 175.328 -0.181 0.000 1.015 91 H CA 0.722 56.322 56.048 -0.747 0.000 1.429 91 H CB 1.323 30.584 29.762 -0.835 0.000 1.429 91 H HN -0.268 7.909 8.280 -0.170 0.000 0.585 92 P HA -0.108 4.425 4.420 0.189 0.000 0.220 92 P C -0.038 177.398 177.300 0.227 0.000 1.144 92 P CA 1.613 64.828 63.100 0.192 0.000 0.800 92 P CB 0.290 32.072 31.700 0.137 0.000 0.772 93 R N -4.172 116.521 120.500 0.321 0.000 2.652 93 R HA 0.241 4.607 4.340 0.043 0.000 0.372 93 R C -1.087 175.190 176.300 -0.038 0.000 1.104 93 R CA -1.304 54.830 56.100 0.056 0.000 1.072 93 R CB 0.378 30.671 30.300 -0.012 0.000 1.367 93 R HN -0.250 8.501 8.270 0.882 0.048 0.577 94 Y N 3.826 124.090 120.300 -0.060 0.000 2.620 94 Y HA -0.112 4.628 4.550 -0.141 -0.275 0.330 94 Y C -0.702 175.183 175.900 -0.025 0.000 1.186 94 Y CA -0.439 57.633 58.100 -0.047 0.000 1.467 94 Y CB 0.338 38.839 38.460 0.068 0.000 1.262 94 Y HN -0.557 7.813 8.280 0.262 0.068 0.550 95 N N 8.493 126.998 118.700 -0.325 0.000 2.707 95 N HA 0.210 4.559 4.740 -0.651 0.000 0.235 95 N C -1.183 173.961 175.510 -0.611 0.000 1.028 95 N CA -2.268 50.467 53.050 -0.525 0.000 0.906 95 N CB 0.002 38.303 38.487 -0.310 0.000 1.131 95 N HN 0.368 8.727 8.380 -0.035 0.000 0.509 96 W N 3.443 124.275 121.300 -0.780 0.000 2.666 96 W HA 0.134 4.556 4.660 -0.397 0.000 0.445 96 W C -0.458 175.886 176.519 -0.292 0.000 0.693 96 W CA -2.641 54.391 57.345 -0.521 0.000 2.192 96 W CB -2.370 26.816 29.460 -0.457 0.000 1.086 96 W HN 0.377 7.759 8.180 -1.330 0.000 0.747 97 E N 3.137 123.143 120.200 -0.323 0.000 2.170 97 E HA -0.534 3.682 4.350 -0.224 0.000 0.229 97 E C -0.234 176.202 176.600 -0.273 0.000 1.074 97 E CA 3.550 59.797 56.400 -0.255 0.000 0.930 97 E CB 0.008 29.567 29.700 -0.234 0.000 0.806 97 E HN -0.479 7.922 8.360 -0.394 -0.278 0.478 98 N N -5.144 113.391 118.700 -0.275 0.000 2.240 98 N HA -0.010 4.427 4.740 -0.505 0.000 0.240 98 N C -0.658 174.671 175.510 -0.303 0.000 1.277 98 N CA -0.883 51.953 53.050 -0.357 0.000 0.873 98 N CB 0.468 38.792 38.487 -0.272 0.000 1.222 98 N HN -0.326 7.905 8.380 -0.249 0.000 0.507 99 L N -3.422 117.697 121.223 -0.173 0.000 3.608 99 L HA -0.495 4.043 4.340 0.155 -0.104 0.422 99 L C -1.945 175.017 176.870 0.154 0.000 1.260 99 L CA 0.706 55.582 54.840 0.060 0.000 0.889 99 L CB -2.759 39.343 42.059 0.073 0.000 1.821 99 L HN -0.035 8.075 8.230 -0.201 0.000 0.884 100 D N -1.489 118.942 120.400 0.051 0.000 2.351 100 D HA -0.021 4.681 4.640 0.104 0.000 0.251 100 D C -0.181 176.160 176.300 0.068 0.000 1.137 100 D CA 0.559 54.590 54.000 0.052 0.000 0.879 100 D CB 1.200 41.979 40.800 -0.034 0.000 1.181 100 D HN -0.820 7.606 8.370 -0.049 -0.086 0.448 101 R N -0.738 119.786 120.500 0.040 0.000 3.246 101 R HA -0.410 3.891 4.340 -0.065 0.000 0.260 101 R C -1.494 174.843 176.300 0.061 0.000 1.034 101 R CA 0.902 56.959 56.100 -0.071 0.000 0.691 101 R CB -1.306 28.752 30.300 -0.404 0.000 1.186 101 R HN 0.712 9.022 8.270 0.067 0.000 0.416 102 D N -1.107 119.374 120.400 0.135 0.000 2.517 102 D HA 0.057 4.661 4.640 -0.061 0.000 0.220 102 D C -1.952 174.358 176.300 0.018 0.000 1.158 102 D CA -0.225 53.827 54.000 0.086 0.000 0.992 102 D CB -0.304 40.648 40.800 0.254 0.000 1.058 102 D HN -0.031 8.431 8.370 0.153 0.000 0.516 103 I N 2.889 123.422 120.570 -0.061 0.000 2.775 103 I HA 0.682 5.079 4.170 0.080 -0.179 0.295 103 I C -3.258 172.875 176.117 0.027 0.000 1.287 103 I CA -1.563 59.759 61.300 0.036 0.000 1.029 103 I CB 4.153 42.221 38.000 0.115 0.000 1.282 103 I HN -0.387 7.708 8.210 -0.150 0.025 0.426 104 A N 5.524 128.455 122.820 0.184 0.000 2.572 104 A HA 0.955 5.668 4.320 0.432 -0.134 0.295 104 A C -2.785 175.045 177.584 0.410 0.000 1.072 104 A CA -1.419 50.801 52.037 0.305 0.000 0.691 104 A CB 4.000 23.091 19.000 0.150 0.000 1.291 104 A HN 0.377 8.646 8.150 0.199 0.000 0.404 105 L N 0.085 121.624 121.223 0.527 0.000 2.346 105 L HA 0.882 5.643 4.340 0.420 -0.169 0.274 105 L C -1.250 175.948 176.870 0.548 0.000 1.007 105 L CA -1.586 53.555 54.840 0.502 0.000 0.818 105 L CB 4.232 46.523 42.059 0.386 0.000 1.284 105 L HN 0.568 9.176 8.230 0.631 0.000 0.424 106 M N 0.332 120.225 119.600 0.487 0.000 2.395 106 M HA 0.609 5.382 4.480 0.236 -0.152 0.307 106 M C -1.851 174.523 176.300 0.124 0.000 1.091 106 M CA -0.964 54.499 55.300 0.270 0.000 0.919 106 M CB 3.958 36.649 32.600 0.152 0.000 1.662 106 M HN 0.802 9.397 8.290 0.508 0.000 0.440 107 K N 3.612 123.918 120.400 -0.157 0.000 2.185 107 K HA 0.725 4.542 4.320 -1.110 -0.163 0.269 107 K C -1.330 175.070 176.600 -0.334 0.000 0.987 107 K CA -1.653 54.227 56.287 -0.679 0.000 0.865 107 K CB 3.034 35.080 32.500 -0.758 0.000 1.090 107 K HN 0.840 9.055 8.250 -0.057 0.000 0.450 108 L N 5.297 126.332 121.223 -0.314 0.000 2.439 108 L HA 0.185 4.584 4.340 -0.103 -0.121 0.259 108 L C 0.310 177.094 176.870 -0.144 0.000 1.129 108 L CA 0.065 54.813 54.840 -0.152 0.000 0.803 108 L CB 0.459 42.464 42.059 -0.089 0.000 1.161 108 L HN 0.473 8.443 8.230 -0.433 0.000 0.462 109 K N -0.527 119.821 120.400 -0.086 0.000 2.001 109 K HA -0.245 4.030 4.320 -0.076 0.000 0.208 109 K C 0.346 176.908 176.600 -0.064 0.000 1.048 109 K CA 2.002 58.248 56.287 -0.068 0.000 0.932 109 K CB 0.761 33.235 32.500 -0.043 0.000 0.715 109 K HN 0.540 8.752 8.250 -0.063 0.000 0.437 110 K N -3.454 116.914 120.400 -0.052 0.000 2.385 110 K HA 0.342 4.633 4.320 -0.049 0.000 0.248 110 K C -3.004 173.568 176.600 -0.047 0.000 0.955 110 K CA -2.649 53.611 56.287 -0.045 0.000 0.816 110 K CB 1.125 33.607 32.500 -0.030 0.000 1.250 110 K HN -0.091 8.132 8.250 -0.045 0.000 0.434 111 P HA 0.061 4.644 4.420 -0.039 -0.187 0.269 111 P C -1.048 176.224 177.300 -0.047 0.000 1.215 111 P CA -0.440 62.630 63.100 -0.051 0.000 0.780 111 P CB 0.453 32.111 31.700 -0.069 0.000 0.898 112 V N 0.862 120.755 119.914 -0.034 0.000 2.850 112 V HA 0.086 4.200 4.120 -0.010 0.000 0.315 112 V C -2.119 173.896 176.094 -0.131 0.000 1.064 112 V CA -2.874 59.420 62.300 -0.010 0.000 0.979 112 V CB 2.404 34.285 31.823 0.097 0.000 1.039 112 V HN 0.018 8.201 8.190 -0.012 0.000 0.452 113 A N 4.739 127.508 122.820 -0.085 0.000 2.305 113 A HA 0.142 4.217 4.320 -0.408 0.000 0.322 113 A C -1.182 176.406 177.584 0.007 0.000 1.187 113 A CA -0.721 51.209 52.037 -0.177 0.000 0.825 113 A CB 1.179 20.135 19.000 -0.073 0.000 1.164 113 A HN 0.072 8.217 8.150 -0.008 0.000 0.498 114 F N -0.413 119.565 119.950 0.046 0.000 2.375 114 F HA 0.088 4.729 4.527 0.070 -0.072 0.313 114 F C 0.070 175.907 175.800 0.063 0.000 1.176 114 F CA -2.075 55.965 58.000 0.067 0.000 1.142 114 F CB 0.787 39.839 39.000 0.087 0.000 1.275 114 F HN -0.040 8.012 8.300 -0.412 0.000 0.544 115 S N -1.063 114.793 115.700 0.260 0.000 2.800 115 S HA 0.192 4.708 4.470 0.077 0.000 0.293 115 S C -1.000 173.570 174.600 -0.051 0.000 1.209 115 S CA -0.940 57.314 58.200 0.089 0.000 0.884 115 S CB 1.754 65.022 63.200 0.112 0.000 1.244 115 S HN 0.327 8.705 8.310 0.286 0.104 0.540 116 D N -2.200 118.014 120.400 -0.310 0.000 2.348 116 D HA 0.020 4.471 4.640 -0.315 0.000 0.216 116 D C 0.282 176.212 176.300 -0.616 0.000 0.970 116 D CA 2.203 55.886 54.000 -0.528 0.000 0.889 116 D CB 0.120 40.447 40.800 -0.789 0.000 0.912 116 D HN 0.404 8.578 8.370 -0.326 0.000 0.524 117 Y N -4.227 116.063 120.300 -0.017 0.000 2.430 117 Y HA 0.088 4.581 4.550 -0.094 0.000 0.248 117 Y C -0.477 175.412 175.900 -0.019 0.000 1.108 117 Y CA -0.565 57.508 58.100 -0.044 0.000 1.264 117 Y CB 1.680 40.120 38.460 -0.033 0.000 1.172 117 Y HN -0.393 7.680 8.280 -0.234 0.067 0.520 118 I N -0.631 120.024 120.570 0.142 0.000 2.439 118 I HA 0.405 4.827 4.170 0.111 -0.185 0.283 118 I C -1.793 174.396 176.117 0.120 0.000 1.023 118 I CA -0.871 60.521 61.300 0.154 0.000 1.100 118 I CB 1.371 39.512 38.000 0.235 0.000 1.238 118 I HN -0.729 7.441 8.210 0.120 0.112 0.445 119 H N 8.308 127.309 119.070 -0.115 0.000 3.029 119 H HA 0.355 4.480 4.556 -0.719 0.000 0.358 119 H C -3.075 172.167 175.328 -0.145 0.000 1.129 119 H CA -1.542 54.321 56.048 -0.308 0.000 1.230 119 H CB 4.329 34.000 29.762 -0.151 0.000 1.827 119 H HN 0.034 8.225 8.280 0.032 0.108 0.530 120 P HA 0.074 4.665 4.420 0.036 -0.150 0.274 120 P C -1.570 175.757 177.300 0.046 0.000 1.237 120 P CA -0.664 62.339 63.100 -0.162 0.000 0.793 120 P CB 1.673 33.194 31.700 -0.297 0.000 0.977 121 V N -0.826 119.048 119.914 -0.065 0.000 2.966 121 V HA 0.131 3.883 4.120 -0.613 0.000 0.317 121 V C -0.423 175.498 176.094 -0.287 0.000 1.070 121 V CA -1.760 60.255 62.300 -0.475 0.000 1.008 121 V CB 3.036 34.304 31.823 -0.924 0.000 1.070 121 V HN -0.114 8.069 8.190 -0.011 0.000 0.457 122 C N 4.211 123.288 119.300 -0.370 0.000 2.364 122 C HA 0.231 4.607 4.460 -0.140 0.000 0.356 122 C C -0.918 174.050 174.990 -0.036 0.000 1.201 122 C CA -0.070 58.797 59.018 -0.253 0.000 2.227 122 C CB 0.789 28.173 27.740 -0.593 0.000 2.387 122 C HN -0.152 7.763 8.230 -0.524 0.000 0.546 123 L N 1.311 122.599 121.223 0.109 0.000 2.322 123 L HA 0.512 4.968 4.340 0.194 0.000 0.279 123 L C -0.929 176.141 176.870 0.332 0.000 1.036 123 L CA -2.256 52.704 54.840 0.200 0.000 0.807 123 L CB 0.924 43.071 42.059 0.146 0.000 1.226 123 L HN 0.305 8.584 8.230 0.082 0.000 0.433 124 P HA 0.103 4.503 4.420 -0.033 0.000 0.276 124 P C -2.289 175.052 177.300 0.067 0.000 1.244 124 P CA -0.889 62.257 63.100 0.076 0.000 0.801 124 P CB 0.698 32.377 31.700 -0.036 0.000 1.006 125 D N -2.600 117.703 120.400 -0.161 0.000 2.299 125 D HA 0.155 4.869 4.640 0.123 0.000 0.243 125 D C 1.050 177.008 176.300 -0.571 0.000 0.982 125 D CA -2.376 51.547 54.000 -0.127 0.000 0.924 125 D CB 2.402 43.163 40.800 -0.065 0.000 1.238 125 D HN -0.386 7.788 8.370 -0.326 0.000 0.484 126 R N 0.112 120.218 120.500 -0.656 0.000 2.159 126 R HA -0.500 2.690 4.340 -1.915 0.000 0.252 126 R C 1.915 177.890 176.300 -0.541 0.000 1.144 126 R CA 4.224 59.815 56.100 -0.848 0.000 0.961 126 R CB 0.006 30.220 30.300 -0.144 0.000 0.877 126 R HN 0.463 8.636 8.270 -0.161 0.000 0.444 127 E N -4.650 115.350 120.200 -0.333 0.000 2.072 127 E HA -0.121 4.101 4.350 -0.213 0.000 0.191 127 E C 0.182 176.607 176.600 -0.292 0.000 0.985 127 E CA 1.948 58.199 56.400 -0.249 0.000 0.801 127 E CB -0.155 29.445 29.700 -0.166 0.000 0.750 127 E HN -0.393 7.910 8.360 -0.269 -0.104 0.452 128 T N 1.484 115.815 114.554 -0.371 0.000 2.817 128 T HA -0.203 3.946 4.350 -0.334 0.000 0.295 128 T C 0.078 174.548 174.700 -0.384 0.000 0.958 128 T CA 2.929 64.775 62.100 -0.423 0.000 1.157 128 T CB -0.435 68.004 68.868 -0.716 0.000 0.898 128 T HN -0.567 7.699 8.240 -0.385 -0.257 0.536 129 L N 0.893 122.071 121.223 -0.075 0.000 2.462 129 L HA -0.386 4.130 4.340 0.292 0.000 0.463 129 L C -0.393 176.425 176.870 -0.087 0.000 0.716 129 L CA 1.818 56.679 54.840 0.035 0.000 2.997 129 L CB -1.791 40.251 42.059 -0.028 0.000 0.811 129 L HN 0.785 8.926 8.230 -0.149 0.000 0.710 130 L N -0.123 120.970 121.223 -0.215 0.000 2.376 130 L HA -0.056 4.086 4.340 -0.331 0.000 0.250 130 L C -1.141 175.508 176.870 -0.367 0.000 1.335 130 L CA 0.165 54.812 54.840 -0.322 0.000 1.214 130 L CB -2.381 39.462 42.059 -0.360 0.000 1.395 130 L HN 0.007 8.115 8.230 -0.204 0.000 0.424 131 Q N 0.363 119.846 119.800 -0.528 0.000 2.377 131 Q HA 0.239 4.322 4.340 -0.429 0.000 0.271 131 Q C -1.206 174.485 176.000 -0.515 0.000 1.077 131 Q CA -1.997 53.412 55.803 -0.656 0.000 0.820 131 Q CB 4.396 32.438 28.738 -1.159 0.000 1.347 131 Q HN -0.054 7.856 8.270 -0.513 0.052 0.444 132 A N 2.393 125.015 122.820 -0.329 0.000 2.520 132 A HA -0.421 3.946 4.320 -0.158 -0.142 0.245 132 A C 0.587 178.108 177.584 -0.106 0.000 1.072 132 A CA 1.265 53.193 52.037 -0.182 0.000 0.761 132 A CB -0.491 18.427 19.000 -0.137 0.000 1.004 132 A HN 0.510 8.477 8.150 -0.306 0.000 0.499 133 G N 3.778 112.570 108.800 -0.013 0.000 2.254 133 G HA2 -0.343 3.652 3.960 0.058 0.000 0.225 133 G HA3 -0.343 3.694 3.960 0.128 0.000 0.225 133 G C -0.839 174.203 174.900 0.237 0.000 1.003 133 G CA -0.260 44.900 45.100 0.100 0.000 0.622 133 G HN 0.401 8.562 8.290 -0.040 0.105 0.507 134 Y N 2.197 122.467 120.300 -0.050 0.000 2.359 134 Y HA -0.053 4.474 4.550 -0.039 0.000 0.330 134 Y C -0.529 175.357 175.900 -0.024 0.000 1.143 134 Y CA -1.371 56.703 58.100 -0.044 0.000 1.318 134 Y CB 0.533 38.955 38.460 -0.065 0.000 1.234 134 Y HN -0.357 7.948 8.280 0.181 0.084 0.522 135 K N 1.235 121.699 120.400 0.106 0.000 2.098 135 K HA 0.465 4.948 4.320 0.078 -0.116 0.258 135 K C -0.280 176.328 176.600 0.013 0.000 0.973 135 K CA -0.891 55.430 56.287 0.056 0.000 0.898 135 K CB 2.469 34.983 32.500 0.023 0.000 1.057 135 K HN 0.147 8.422 8.250 0.041 0.000 0.447 136 G N -0.824 107.931 108.800 -0.074 0.000 2.730 136 G HA2 0.657 4.501 3.960 -0.317 0.000 0.289 136 G HA3 0.657 3.876 3.960 -1.235 0.000 0.289 136 G C -2.869 171.726 174.900 -0.509 0.000 1.341 136 G CA -1.260 43.523 45.100 -0.528 0.000 0.932 136 G HN 0.423 8.606 8.290 0.001 0.107 0.481 137 R N -0.641 119.519 120.500 -0.567 0.000 2.670 137 R HA 0.942 5.364 4.340 -0.159 -0.177 0.289 137 R C -1.997 174.145 176.300 -0.263 0.000 0.965 137 R CA -1.489 54.459 56.100 -0.252 0.000 0.899 137 R CB 3.994 34.273 30.300 -0.036 0.000 1.173 137 R HN 0.304 8.161 8.270 -0.689 0.000 0.456 138 V N 5.879 125.745 119.914 -0.079 0.000 2.823 138 V HA 1.028 5.399 4.120 0.047 -0.223 0.312 138 V C -1.148 174.952 176.094 0.010 0.000 1.072 138 V CA -2.155 60.170 62.300 0.042 0.000 0.937 138 V CB 3.715 35.661 31.823 0.204 0.000 1.013 138 V HN 0.800 8.968 8.190 -0.037 0.000 0.430 139 T N 0.411 114.963 114.554 -0.004 0.000 2.896 139 T HA 0.956 5.427 4.350 -0.111 -0.187 0.297 139 T C -1.025 173.582 174.700 -0.154 0.000 1.108 139 T CA -2.490 59.543 62.100 -0.113 0.000 1.004 139 T CB 3.516 72.279 68.868 -0.175 0.000 1.159 139 T HN -0.234 8.031 8.240 0.042 0.000 0.499 140 G N -0.207 108.413 108.800 -0.299 0.000 2.316 140 G HA2 0.227 3.906 3.960 -0.468 0.000 0.296 140 G HA3 0.227 4.316 3.960 -0.087 -0.181 0.296 140 G C -2.076 172.635 174.900 -0.315 0.000 1.399 140 G CA 0.664 45.580 45.100 -0.305 0.000 0.833 140 G HN -0.227 7.857 8.290 -0.343 0.000 0.565 141 W N 0.440 121.762 121.300 0.038 0.000 3.132 141 W HA 0.456 5.118 4.660 0.003 0.000 0.364 141 W C -0.307 176.233 176.519 0.036 0.000 1.129 141 W CA -0.860 56.499 57.345 0.022 0.000 1.815 141 W CB 0.645 30.119 29.460 0.022 0.000 1.099 141 W HN 0.573 8.897 8.180 0.241 0.000 0.605 142 G N -0.458 108.471 108.800 0.216 0.000 2.744 142 G HA2 -0.217 3.847 3.960 0.166 0.000 0.257 142 G HA3 -0.217 4.070 3.960 0.134 -0.247 0.257 142 G C -0.401 174.571 174.900 0.121 0.000 1.244 142 G CA -0.347 44.847 45.100 0.156 0.000 0.916 142 G HN -0.437 8.134 8.290 0.176 -0.175 0.564 143 N N -1.843 116.917 118.700 0.099 0.000 2.305 143 N HA -0.340 4.446 4.740 0.077 0.000 0.232 143 N C -0.190 175.361 175.510 0.069 0.000 1.274 143 N CA 1.228 54.325 53.050 0.078 0.000 0.870 143 N CB 0.181 38.708 38.487 0.067 0.000 1.105 143 N HN 0.160 8.600 8.380 0.100 0.000 0.436 144 L N -2.564 118.694 121.223 0.058 0.000 2.513 144 L HA 0.216 4.848 4.340 0.051 -0.262 0.222 144 L C 0.472 177.368 176.870 0.043 0.000 1.096 144 L CA 0.354 55.224 54.840 0.049 0.000 0.857 144 L CB 1.131 43.216 42.059 0.044 0.000 1.026 144 L HN -0.184 8.080 8.230 0.056 0.000 0.469 145 K N -4.259 116.167 120.400 0.043 0.000 2.512 145 K HA 0.170 4.512 4.320 0.037 0.000 0.263 145 K C -0.989 175.635 176.600 0.040 0.000 0.966 145 K CA -0.783 55.527 56.287 0.037 0.000 0.851 145 K CB 2.530 35.048 32.500 0.031 0.000 1.395 145 K HN -0.651 7.627 8.250 0.046 0.000 0.440 146 E N 1.213 121.434 120.200 0.037 0.000 2.077 146 E HA -0.265 4.111 4.350 0.044 0.000 0.193 146 E C -0.064 176.557 176.600 0.035 0.000 0.989 146 E CA 2.460 58.883 56.400 0.038 0.000 0.800 146 E CB 0.530 30.250 29.700 0.034 0.000 0.746 146 E HN 0.452 8.832 8.360 0.033 0.000 0.452 151 Q N -0.067 119.761 119.800 0.047 0.000 2.421 151 Q HA 0.365 4.749 4.340 0.074 0.000 0.280 151 Q C -2.313 173.726 176.000 0.066 0.000 1.085 151 Q CA -2.208 53.634 55.803 0.064 0.000 0.807 151 Q CB 2.905 31.680 28.738 0.062 0.000 1.405 151 Q HN -0.181 8.114 8.270 0.042 0.000 0.419 152 P HA 0.313 4.767 4.420 0.057 0.000 0.283 152 P C -0.508 176.844 177.300 0.086 0.000 1.271 152 P CA -1.242 61.907 63.100 0.082 0.000 0.841 152 P CB 1.885 33.641 31.700 0.094 0.000 1.122 153 S N -1.666 114.067 115.700 0.056 0.000 2.470 153 S HA 0.028 4.514 4.470 0.027 0.000 0.222 153 S C 0.115 174.733 174.600 0.031 0.000 1.024 153 S CA 1.743 59.962 58.200 0.032 0.000 0.931 153 S CB 0.537 63.746 63.200 0.015 0.000 0.791 153 S HN 0.429 8.764 8.310 0.042 0.000 0.513 154 V N 0.076 120.004 119.914 0.023 0.000 3.113 154 V HA 0.389 4.630 4.120 -0.096 -0.179 0.316 154 V C -0.823 175.273 176.094 0.004 0.000 1.125 154 V CA -1.542 60.697 62.300 -0.102 0.000 1.026 154 V CB 3.720 35.392 31.823 -0.252 0.000 1.080 154 V HN -0.752 7.424 8.190 0.029 0.032 0.444 155 L N 2.240 123.363 121.223 -0.166 0.000 2.453 155 L HA -0.057 3.776 4.340 -0.845 0.000 0.272 155 L C -1.276 175.431 176.870 -0.272 0.000 1.182 155 L CA 0.682 55.241 54.840 -0.468 0.000 0.858 155 L CB 1.016 42.766 42.059 -0.515 0.000 1.120 155 L HN 0.043 8.048 8.230 -0.375 0.000 0.474 156 Q N 3.703 123.345 119.800 -0.262 0.000 2.297 156 Q HA 0.917 5.399 4.340 -0.089 -0.195 0.268 156 Q C -1.242 174.683 176.000 -0.126 0.000 1.045 156 Q CA -2.004 53.723 55.803 -0.127 0.000 0.861 156 Q CB 3.446 32.147 28.738 -0.062 0.000 1.344 156 Q HN 0.114 8.160 8.270 -0.374 0.000 0.452 157 V N 0.898 120.771 119.914 -0.067 0.000 2.925 157 V HA 0.903 5.189 4.120 -0.064 -0.204 0.311 157 V C -2.750 173.343 176.094 -0.002 0.000 1.104 157 V CA -2.652 59.618 62.300 -0.051 0.000 0.954 157 V CB 4.285 36.070 31.823 -0.063 0.000 1.022 157 V HN 0.703 8.867 8.190 -0.043 0.000 0.427 158 V N 4.709 124.634 119.914 0.019 0.000 2.969 158 V HA 0.292 4.451 4.120 0.065 0.000 0.304 158 V C -2.989 173.141 176.094 0.059 0.000 1.192 158 V CA -1.569 60.769 62.300 0.062 0.000 0.962 158 V CB 4.453 36.333 31.823 0.095 0.000 1.045 158 V HN 0.158 8.351 8.190 0.005 0.000 0.428 159 N N 6.982 125.735 118.700 0.088 0.000 2.417 159 N HA 0.659 5.581 4.740 -0.001 -0.183 0.274 159 N C -0.850 174.720 175.510 0.100 0.000 0.987 159 N CA -0.985 52.103 53.050 0.062 0.000 0.912 159 N CB 1.546 40.080 38.487 0.078 0.000 1.177 159 N HN 0.218 8.670 8.380 0.120 0.000 0.490 160 L N 2.534 123.781 121.223 0.040 0.000 2.381 160 L HA 0.556 4.771 4.340 -0.209 0.000 0.268 160 L C -2.530 174.304 176.870 -0.060 0.000 0.997 160 L CA -3.144 51.667 54.840 -0.048 0.000 0.818 160 L CB 2.810 44.921 42.059 0.087 0.000 1.310 160 L HN 0.753 8.885 8.230 0.003 0.100 0.416 161 P HA 0.168 4.752 4.420 -0.010 -0.170 0.275 161 P C -0.851 176.421 177.300 -0.046 0.000 1.228 161 P CA -0.831 62.197 63.100 -0.121 0.000 0.786 161 P CB 0.679 32.252 31.700 -0.211 0.000 0.927 162 I N 0.945 121.512 120.570 -0.004 0.000 2.519 162 I HA -0.067 4.072 4.170 -0.051 0.000 0.287 162 I C -0.017 176.033 176.117 -0.112 0.000 1.047 162 I CA 0.500 61.765 61.300 -0.060 0.000 1.381 162 I CB 1.092 39.026 38.000 -0.111 0.000 1.417 162 I HN 0.273 8.502 8.210 0.031 0.000 0.540 163 V N 6.229 126.045 119.914 -0.163 0.000 2.732 163 V HA 0.216 4.230 4.120 -0.178 0.000 0.310 163 V C -0.583 175.398 176.094 -0.189 0.000 1.053 163 V CA -1.431 60.733 62.300 -0.227 0.000 0.957 163 V CB 2.627 34.176 31.823 -0.458 0.000 1.018 163 V HN 0.064 8.160 8.190 -0.158 0.000 0.452 164 E N 4.042 124.145 120.200 -0.163 0.000 2.414 164 E HA -0.098 4.191 4.350 -0.101 0.000 0.263 164 E C 0.886 177.425 176.600 -0.102 0.000 1.000 164 E CA 0.368 56.702 56.400 -0.112 0.000 0.914 164 E CB 0.319 29.970 29.700 -0.083 0.000 0.948 164 E HN 0.223 8.485 8.360 -0.164 0.000 0.444 165 R N 4.844 125.312 120.500 -0.054 0.000 2.119 165 R HA -0.296 4.043 4.340 -0.002 0.000 0.246 165 R C -0.380 175.923 176.300 0.005 0.000 1.146 165 R CA 5.413 61.508 56.100 -0.008 0.000 0.962 165 R CB -2.110 28.205 30.300 0.024 0.000 0.863 165 R HN 0.510 8.751 8.270 -0.049 0.000 0.442 166 P HA -0.125 4.313 4.420 0.030 0.000 0.216 166 P C 1.268 178.574 177.300 0.010 0.000 1.150 166 P CA 3.148 66.255 63.100 0.012 0.000 0.837 166 P CB -0.648 31.054 31.700 0.003 0.000 0.786 167 V N -1.819 118.075 119.914 -0.034 0.000 2.358 167 V HA -0.448 3.674 4.120 0.005 0.000 0.246 167 V C 1.690 177.750 176.094 -0.058 0.000 1.047 167 V CA 4.372 66.638 62.300 -0.057 0.000 1.035 167 V CB -0.459 31.275 31.823 -0.149 0.000 0.658 167 V HN -0.582 7.555 8.190 -0.055 0.021 0.452 168 c N -0.800 117.744 118.600 -0.092 0.000 2.453 168 c HA -0.304 4.239 4.570 -0.046 0.000 0.277 168 c C 2.732 176.975 174.090 0.254 0.000 1.262 168 c CA 3.195 59.545 56.329 0.036 0.000 1.718 168 c CB -1.979 40.556 42.510 0.042 0.000 2.031 168 c HN -0.425 7.647 8.230 -0.111 0.092 0.480 169 K N 0.028 120.532 120.400 0.173 0.000 2.057 169 K HA -0.264 4.167 4.320 0.186 0.000 0.207 169 K C 2.383 179.065 176.600 0.136 0.000 1.049 169 K CA 3.313 59.694 56.287 0.156 0.000 0.931 169 K CB -0.308 32.253 32.500 0.101 0.000 0.714 169 K HN 0.181 8.498 8.250 0.111 0.000 0.440 170 D N -3.124 117.346 120.400 0.117 0.000 2.352 170 D HA 0.000 4.694 4.640 0.090 0.000 0.232 170 D C 0.413 176.799 176.300 0.144 0.000 1.055 170 D CA 1.817 55.882 54.000 0.107 0.000 0.891 170 D CB -0.728 40.121 40.800 0.082 0.000 0.897 170 D HN -0.176 8.254 8.370 0.099 0.000 0.529 171 S N -3.448 112.377 115.700 0.208 0.000 2.523 171 S HA 0.005 4.597 4.470 0.204 0.000 0.217 171 S C -0.587 174.145 174.600 0.220 0.000 0.996 171 S CA 0.745 59.097 58.200 0.254 0.000 0.921 171 S CB 1.906 65.365 63.200 0.433 0.000 0.829 171 S HN -0.411 7.838 8.310 0.228 0.198 0.495 172 T N 0.423 115.091 114.554 0.191 0.000 2.812 172 T HA 0.210 4.636 4.350 0.127 0.000 0.294 172 T C -1.311 173.435 174.700 0.076 0.000 1.159 172 T CA -0.906 61.279 62.100 0.142 0.000 1.008 172 T CB 2.394 71.376 68.868 0.190 0.000 1.289 172 T HN -0.694 7.614 8.240 0.182 0.042 0.514 173 R N 0.917 121.436 120.500 0.032 0.000 2.312 173 R HA 0.171 4.515 4.340 0.007 0.000 0.205 173 R C 0.267 176.539 176.300 -0.046 0.000 0.904 173 R CA 0.134 56.231 56.100 -0.005 0.000 1.052 173 R CB 0.821 31.109 30.300 -0.021 0.000 1.014 173 R HN 0.319 8.608 8.270 0.032 0.000 0.503 174 I N 0.057 120.583 120.570 -0.073 0.000 2.581 174 I HA -0.150 3.918 4.170 -0.171 0.000 0.288 174 I C -0.960 175.100 176.117 -0.094 0.000 1.047 174 I CA -0.139 61.065 61.300 -0.160 0.000 1.374 174 I CB 0.878 38.659 38.000 -0.365 0.000 1.423 174 I HN -0.410 7.723 8.210 -0.038 0.054 0.549 175 R N 5.703 126.139 120.500 -0.107 0.000 2.296 175 R HA -0.105 4.219 4.340 -0.026 0.000 0.323 175 R C -1.201 175.085 176.300 -0.024 0.000 1.067 175 R CA 0.014 56.081 56.100 -0.055 0.000 0.946 175 R CB -0.281 29.978 30.300 -0.068 0.000 0.991 175 R HN 0.291 8.473 8.270 -0.147 0.000 0.448 176 I N 5.870 126.459 120.570 0.032 0.000 2.472 176 I HA 0.040 4.279 4.170 0.117 0.000 0.290 176 I C -0.048 176.118 176.117 0.082 0.000 1.016 176 I CA -2.269 59.089 61.300 0.097 0.000 1.348 176 I CB 0.254 38.350 38.000 0.159 0.000 1.417 176 I HN 0.141 8.372 8.210 0.036 0.000 0.521 177 T N 1.864 116.478 114.554 0.099 0.000 2.919 177 T HA 0.264 4.641 4.350 0.045 0.000 0.282 177 T C -0.009 174.749 174.700 0.096 0.000 1.020 177 T CA -2.271 59.870 62.100 0.068 0.000 0.994 177 T CB 2.885 71.777 68.868 0.040 0.000 1.180 177 T HN -0.403 7.919 8.240 0.137 0.000 0.566 178 D N -2.065 118.372 120.400 0.062 0.000 2.349 178 D HA -0.043 4.657 4.640 0.100 0.000 0.224 178 D C -0.268 176.080 176.300 0.080 0.000 1.029 178 D CA 1.419 55.459 54.000 0.065 0.000 0.879 178 D CB -0.426 40.379 40.800 0.008 0.000 0.906 178 D HN 0.231 8.621 8.370 0.034 0.000 0.528 179 N N -1.716 117.044 118.700 0.100 0.000 2.276 179 N HA 0.082 4.893 4.740 0.117 0.000 0.212 179 N C -1.612 174.048 175.510 0.251 0.000 1.127 179 N CA -0.098 53.036 53.050 0.139 0.000 0.834 179 N CB 0.724 39.253 38.487 0.070 0.000 1.014 179 N HN -0.569 7.779 8.380 0.088 0.085 0.491 180 M N -2.307 117.461 119.600 0.281 0.000 2.593 180 M HA 0.872 5.685 4.480 0.203 -0.211 0.290 180 M C -2.332 174.161 176.300 0.321 0.000 1.244 180 M CA -0.452 55.006 55.300 0.263 0.000 0.857 180 M CB 5.370 38.139 32.600 0.282 0.000 1.738 180 M HN -0.817 7.534 8.290 0.258 0.094 0.461 181 F N -4.166 115.845 119.950 0.103 0.000 2.662 181 F HA 0.647 5.175 4.527 0.002 0.000 0.312 181 F C -2.988 172.696 175.800 -0.194 0.000 1.113 181 F CA -1.612 56.359 58.000 -0.047 0.000 0.951 181 F CB 2.612 41.506 39.000 -0.177 0.000 1.344 181 F HN -0.004 8.179 8.300 -0.195 0.000 0.462 182 c N -2.378 116.090 118.600 -0.220 0.000 2.707 182 c HA 1.110 5.404 4.570 -0.756 -0.177 0.313 182 c C -1.912 172.017 174.090 -0.269 0.000 1.209 182 c CA -3.895 52.052 56.329 -0.636 0.000 1.635 182 c CB 3.888 45.651 42.510 -1.246 0.000 2.206 182 c HN 0.494 8.691 8.230 -0.054 0.000 0.485 183 A N 0.903 123.631 122.820 -0.153 0.000 2.486 183 A HA 0.729 5.077 4.320 -0.082 -0.077 0.300 183 A C -2.330 175.315 177.584 0.102 0.000 1.048 183 A CA -1.018 51.006 52.037 -0.021 0.000 0.696 183 A CB 3.203 22.196 19.000 -0.012 0.000 1.278 183 A HN 0.549 8.602 8.150 -0.161 0.000 0.405 184 Y N 2.448 122.861 120.300 0.189 0.000 2.301 184 Y HA -0.030 4.745 4.550 0.162 -0.128 0.328 184 Y C 0.581 176.599 175.900 0.198 0.000 1.242 184 Y CA -0.676 57.520 58.100 0.161 0.000 1.323 184 Y CB 1.688 40.203 38.460 0.091 0.000 1.266 184 Y HN 0.423 8.858 8.280 0.259 0.000 0.527 185 K N -0.720 119.897 120.400 0.361 0.000 2.366 185 K HA -0.083 4.453 4.320 0.359 0.000 0.198 185 K C 0.228 176.927 176.600 0.166 0.000 1.044 185 K CA -0.201 56.254 56.287 0.281 0.000 0.973 185 K CB -0.085 32.548 32.500 0.220 0.000 0.767 185 K HN 0.232 8.700 8.250 0.364 0.000 0.475 186 K N -1.864 118.376 120.400 -0.267 0.000 7.154 186 K HA -0.459 3.648 4.320 -0.355 0.000 0.575 186 K C -1.386 175.000 176.600 -0.356 0.000 2.583 186 K CA 1.020 56.982 56.287 -0.541 0.000 2.027 186 K CB -0.161 31.535 32.500 -1.338 0.000 2.075 186 K HN 0.003 8.138 8.250 -0.191 0.000 0.267 187 R N 1.340 121.720 120.500 -0.199 0.000 3.018 187 R HA 0.238 4.639 4.340 0.101 0.000 0.243 187 R C -1.254 175.142 176.300 0.160 0.000 1.315 187 R CA -1.690 54.429 56.100 0.032 0.000 1.039 187 R CB 2.138 32.447 30.300 0.015 0.000 1.315 187 R HN 0.053 8.187 8.270 -0.228 0.000 0.492 188 G N -1.347 107.552 108.800 0.165 0.000 2.326 188 G HA2 -0.146 4.191 3.960 0.125 0.000 0.478 188 G HA3 -0.146 3.953 3.960 0.232 0.000 0.478 188 G C -2.532 172.465 174.900 0.162 0.000 1.551 188 G CA -0.254 44.951 45.100 0.175 0.000 0.946 188 G HN 0.283 9.093 8.290 0.123 -0.446 0.671 189 D N -0.818 119.661 120.400 0.132 0.000 2.926 189 D HA 0.198 4.933 4.640 0.159 0.000 0.272 189 D C -2.468 173.900 176.300 0.113 0.000 1.172 189 D CA -0.165 53.909 54.000 0.124 0.000 0.731 189 D CB 3.121 43.968 40.800 0.078 0.000 1.282 189 D HN -0.207 8.234 8.370 0.119 0.000 0.430 190 A N -0.895 121.994 122.820 0.114 0.000 2.257 190 A HA 0.215 4.598 4.320 0.104 0.000 0.290 190 A C -2.029 175.599 177.584 0.073 0.000 1.201 190 A CA -0.861 51.238 52.037 0.102 0.000 0.863 190 A CB 2.217 21.282 19.000 0.109 0.000 1.256 190 A HN 0.326 8.542 8.150 0.111 0.000 0.506 191 c N -3.708 114.939 118.600 0.078 0.000 3.266 191 c HA 0.192 4.804 4.570 0.070 0.000 0.369 191 c C -1.326 172.819 174.090 0.092 0.000 1.580 191 c CA -0.980 55.395 56.329 0.076 0.000 1.165 191 c CB 3.071 45.623 42.510 0.070 0.000 1.835 191 c HN -0.015 8.515 8.230 0.087 -0.248 0.433 192 E N 1.597 121.851 120.200 0.090 0.000 2.568 192 E HA -0.322 4.099 4.350 0.117 0.000 0.262 192 E C 0.850 177.517 176.600 0.111 0.000 0.961 192 E CA 2.274 58.735 56.400 0.102 0.000 0.945 192 E CB 0.664 30.415 29.700 0.084 0.000 0.924 192 E HN 0.228 8.635 8.360 0.080 0.000 0.467 193 G N 5.446 114.322 108.800 0.126 0.000 2.213 193 G HA2 -0.316 3.725 3.960 0.134 0.000 0.236 193 G HA3 -0.316 3.728 3.960 0.140 0.000 0.236 193 G C -0.071 174.925 174.900 0.160 0.000 0.991 193 G CA 0.826 46.010 45.100 0.140 0.000 0.629 193 G HN 0.873 9.244 8.290 0.136 0.000 0.517 194 D N 0.144 120.629 120.400 0.142 0.000 2.407 194 D HA 0.123 4.851 4.640 0.147 0.000 0.208 194 D C 0.015 176.396 176.300 0.135 0.000 1.083 194 D CA 0.234 54.316 54.000 0.136 0.000 0.844 194 D CB 1.148 42.017 40.800 0.115 0.000 0.967 194 D HN -0.141 8.219 8.370 0.134 0.090 0.506 195 S N -0.226 115.559 115.700 0.141 0.000 2.554 195 S HA -0.540 4.130 4.470 0.158 -0.106 0.290 195 S C 0.924 175.566 174.600 0.069 0.000 1.309 195 S CA 2.986 61.267 58.200 0.134 0.000 1.047 195 S CB 0.207 63.507 63.200 0.165 0.000 0.828 195 S HN -0.352 8.007 8.310 0.152 0.042 0.509 196 G N 3.753 112.588 108.800 0.058 0.000 2.253 196 G HA2 -0.473 3.605 3.960 0.056 0.000 0.251 196 G HA3 -0.473 3.651 3.960 0.044 -0.138 0.251 196 G C -0.187 174.794 174.900 0.134 0.000 0.998 196 G CA 0.283 45.424 45.100 0.068 0.000 0.621 196 G HN 0.740 8.983 8.290 0.083 0.097 0.524 197 G N 0.682 109.574 108.800 0.153 0.000 2.588 197 G HA2 0.394 4.520 3.960 0.170 0.000 0.281 197 G HA3 0.394 4.444 3.960 0.150 0.000 0.281 197 G C -2.740 172.288 174.900 0.213 0.000 1.236 197 G CA -2.037 43.165 45.100 0.171 0.000 0.969 197 G HN -0.515 7.775 8.290 0.144 0.086 0.504 198 P HA 0.434 5.150 4.420 0.255 -0.143 0.286 198 P C -2.040 175.411 177.300 0.251 0.000 1.261 198 P CA -1.232 62.006 63.100 0.230 0.000 0.821 198 P CB 1.686 33.500 31.700 0.190 0.000 1.013 199 F N 3.598 123.624 119.950 0.127 0.000 2.427 199 F HA 0.799 5.557 4.527 0.048 -0.202 0.348 199 F C -2.038 173.816 175.800 0.090 0.000 1.125 199 F CA -2.481 55.549 58.000 0.050 0.000 0.989 199 F CB 3.122 42.045 39.000 -0.129 0.000 1.165 199 F HN 0.219 8.739 8.300 0.367 0.000 0.442 200 V N 3.794 123.587 119.914 -0.202 0.000 3.001 200 V HA 0.959 5.273 4.120 0.092 -0.139 0.314 200 V C -2.246 173.856 176.094 0.014 0.000 1.099 200 V CA -2.942 59.368 62.300 0.017 0.000 0.989 200 V CB 4.034 35.932 31.823 0.126 0.000 1.040 200 V HN 0.768 8.736 8.190 -0.370 0.000 0.434 201 M N 0.741 120.411 119.600 0.116 0.000 2.572 201 M HA 0.414 4.883 4.480 -0.018 0.000 0.299 201 M C -1.875 174.330 176.300 -0.159 0.000 1.205 201 M CA -0.755 54.544 55.300 -0.002 0.000 0.876 201 M CB 4.992 37.584 32.600 -0.014 0.000 1.728 201 M HN 0.742 9.126 8.290 0.157 0.000 0.458 202 K N 1.563 121.647 120.400 -0.526 0.000 2.263 202 K HA 0.332 4.215 4.320 -0.959 -0.139 0.272 202 K C -0.742 175.617 176.600 -0.401 0.000 1.033 202 K CA -1.042 54.706 56.287 -0.898 0.000 0.884 202 K CB 1.167 32.758 32.500 -1.516 0.000 1.107 202 K HN 0.288 8.284 8.250 -0.422 0.000 0.460 203 S N 7.137 122.718 115.700 -0.199 0.000 2.110 203 S HA -0.261 4.138 4.470 -0.119 0.000 0.152 203 S C 0.647 175.160 174.600 -0.145 0.000 1.404 203 S CA 1.506 59.649 58.200 -0.095 0.000 2.390 203 S CB 1.070 64.320 63.200 0.083 0.000 0.276 203 S HN 0.777 8.901 8.310 -0.143 0.100 0.349 204 N N 0.280 118.972 118.700 -0.014 0.000 2.244 204 N HA -0.361 4.373 4.740 -0.009 0.000 0.237 204 N C -0.353 175.146 175.510 -0.019 0.000 1.246 204 N CA 0.886 53.935 53.050 -0.000 0.000 0.797 204 N CB -1.466 37.043 38.487 0.037 0.000 1.197 204 N HN 0.545 8.920 8.380 -0.009 0.000 0.608 205 N N -6.339 112.326 118.700 -0.059 0.000 2.690 205 N HA -0.500 4.227 4.740 -0.168 -0.088 0.249 205 N C -1.340 174.085 175.510 -0.141 0.000 1.125 205 N CA 1.818 54.802 53.050 -0.109 0.000 0.794 205 N CB -0.724 37.727 38.487 -0.060 0.000 1.152 205 N HN -0.139 8.200 8.380 -0.068 0.000 0.571 206 R N -3.278 117.148 120.500 -0.124 0.000 2.532 206 R HA 0.096 4.393 4.340 -0.073 0.000 0.272 206 R C -0.931 175.169 176.300 -0.333 0.000 1.032 206 R CA -0.864 55.123 56.100 -0.188 0.000 1.089 206 R CB 2.102 32.221 30.300 -0.302 0.000 1.098 206 R HN -0.419 7.750 8.270 -0.051 0.071 0.526 207 W N -1.242 119.878 121.300 -0.300 0.000 2.417 207 W HA 0.495 5.272 4.660 -0.106 -0.181 0.317 207 W C -0.253 175.930 176.519 -0.560 0.000 1.121 207 W CA -0.640 56.524 57.345 -0.301 0.000 1.208 207 W CB 1.741 30.998 29.460 -0.338 0.000 1.253 207 W HN 0.193 8.360 8.180 -0.021 0.000 0.533 208 Y N 0.217 120.487 120.300 -0.051 0.000 2.499 208 Y HA 0.447 5.116 4.550 -0.121 -0.191 0.347 208 Y C -1.315 174.547 175.900 -0.064 0.000 0.987 208 Y CA -1.561 56.488 58.100 -0.086 0.000 1.044 208 Y CB 4.550 42.971 38.460 -0.065 0.000 1.245 208 Y HN 1.031 9.419 8.280 0.179 0.000 0.461 209 Q N 2.403 122.255 119.800 0.087 0.000 2.360 209 Q HA 0.374 4.898 4.340 0.087 -0.131 0.254 209 Q C -0.542 175.577 176.000 0.199 0.000 0.975 209 Q CA -0.928 54.932 55.803 0.095 0.000 0.912 209 Q CB 1.389 30.150 28.738 0.038 0.000 1.212 209 Q HN 0.570 8.891 8.270 0.086 0.000 0.452 210 M N 5.480 125.232 119.600 0.253 0.000 2.466 210 M HA 0.106 4.683 4.480 0.160 0.000 0.265 210 M C -0.397 176.110 176.300 0.346 0.000 1.122 210 M CA -0.330 55.099 55.300 0.216 0.000 1.157 210 M CB 0.645 33.307 32.600 0.103 0.000 1.352 210 M HN 0.190 8.651 8.290 0.286 0.000 0.464 211 G N -3.930 105.176 108.800 0.511 0.000 2.680 211 G HA2 0.618 5.065 3.960 0.442 0.000 0.290 211 G HA3 0.618 4.833 3.960 0.425 0.000 0.290 211 G C -3.082 172.039 174.900 0.369 0.000 1.355 211 G CA -1.101 44.278 45.100 0.465 0.000 0.903 211 G HN -0.441 8.189 8.290 0.566 0.000 0.474 212 I N -0.912 119.838 120.570 0.301 0.000 2.465 212 I HA 0.558 5.087 4.170 0.287 -0.187 0.291 212 I C -0.453 175.830 176.117 0.277 0.000 1.014 212 I CA -1.378 60.085 61.300 0.273 0.000 1.093 212 I CB 4.052 42.176 38.000 0.207 0.000 1.267 212 I HN -0.371 8.057 8.210 0.236 -0.077 0.431 213 V N 7.294 127.376 119.914 0.280 0.000 2.493 213 V HA -0.227 3.804 4.120 -0.148 0.000 0.292 213 V C -1.076 175.048 176.094 0.051 0.000 1.016 213 V CA 2.076 64.429 62.300 0.088 0.000 1.097 213 V CB -1.069 30.844 31.823 0.151 0.000 0.947 213 V HN 0.670 8.922 8.190 0.286 0.109 0.479 214 S N 7.017 122.670 115.700 -0.079 0.000 2.942 214 S HA 0.257 5.020 4.470 0.332 -0.093 0.220 214 S C -0.491 174.262 174.600 0.256 0.000 0.945 214 S CA 1.009 59.314 58.200 0.175 0.000 0.851 214 S CB 2.340 65.641 63.200 0.170 0.000 0.820 214 S HN 0.091 8.161 8.310 -0.400 0.000 0.624 215 W N -2.167 119.106 121.300 -0.045 0.000 2.940 215 W HA 0.311 4.950 4.660 -0.035 0.000 0.394 215 W C -2.104 174.421 176.519 0.011 0.000 1.155 215 W CA -1.141 56.182 57.345 -0.037 0.000 1.165 215 W CB 1.197 30.610 29.460 -0.078 0.000 1.492 215 W HN -0.435 7.503 8.180 -0.403 0.000 0.593 216 G N -1.838 107.182 108.800 0.366 0.000 2.466 216 G HA2 0.064 4.142 3.960 0.195 0.000 0.291 216 G HA3 0.064 4.076 3.960 0.087 0.000 0.291 216 G C -1.651 173.452 174.900 0.340 0.000 1.460 216 G CA -0.253 44.989 45.100 0.237 0.000 0.791 216 G HN -0.301 8.312 8.290 0.538 0.000 0.505 220 c N 1.577 120.204 118.600 0.046 0.000 3.074 220 c HA 0.351 5.102 4.570 0.044 -0.154 0.224 220 c C -1.457 172.653 174.090 0.032 0.000 1.988 220 c CA -1.052 55.302 56.329 0.043 0.000 1.470 220 c CB -0.791 41.748 42.510 0.049 0.000 2.762 220 c HN 0.095 8.616 8.230 0.040 -0.267 0.502 221 R N -0.929 119.561 120.500 -0.017 0.000 2.725 221 R HA 0.172 4.507 4.340 -0.009 0.000 0.254 221 R C -2.406 173.856 176.300 -0.062 0.000 1.076 221 R CA -0.124 55.963 56.100 -0.022 0.000 0.940 221 R CB 2.724 33.019 30.300 -0.008 0.000 1.260 221 R HN -0.130 8.133 8.270 -0.013 0.000 0.466 222 D N 2.065 122.437 120.400 -0.047 0.000 2.389 222 D HA -0.046 4.538 4.640 -0.092 0.000 0.247 222 D C 1.051 177.296 176.300 -0.092 0.000 1.128 222 D CA 1.400 55.359 54.000 -0.067 0.000 0.884 222 D CB 0.200 40.985 40.800 -0.024 0.000 1.194 222 D HN 0.152 8.507 8.370 -0.024 0.000 0.441 223 G N 1.082 109.784 108.800 -0.163 0.000 2.195 223 G HA2 -0.425 3.499 3.960 -0.060 0.000 0.246 223 G HA3 -0.425 3.516 3.960 -0.032 0.000 0.246 223 G C -0.744 174.014 174.900 -0.236 0.000 0.984 223 G CA 0.165 45.191 45.100 -0.123 0.000 0.633 223 G HN 0.395 8.561 8.290 -0.208 0.000 0.525 224 K N -0.525 119.653 120.400 -0.370 0.000 2.238 224 K HA 0.397 4.682 4.320 -0.058 0.000 0.239 224 K C -1.453 174.753 176.600 -0.657 0.000 0.987 224 K CA -1.583 54.541 56.287 -0.271 0.000 0.857 224 K CB 2.474 34.941 32.500 -0.053 0.000 1.154 224 K HN -0.622 7.341 8.250 -0.328 0.089 0.439 225 Y N -2.636 117.682 120.300 0.029 0.000 2.669 225 Y HA 0.061 4.566 4.550 -0.075 0.000 0.335 225 Y C -1.147 174.610 175.900 -0.238 0.000 1.116 225 Y CA -0.730 57.289 58.100 -0.135 0.000 1.081 225 Y CB 3.472 41.756 38.460 -0.294 0.000 1.297 225 Y HN 0.008 8.396 8.280 0.179 0.000 0.484 226 G N -2.048 106.632 108.800 -0.201 0.000 2.389 226 G HA2 0.520 4.400 3.960 -0.300 0.000 0.328 226 G HA3 0.520 4.277 3.960 -0.339 0.000 0.328 226 G C -2.458 171.921 174.900 -0.868 0.000 1.133 226 G CA -1.589 43.268 45.100 -0.404 0.000 0.891 226 G HN 0.007 8.256 8.290 -0.068 0.000 0.485 227 F N 1.425 120.772 119.950 -1.004 0.000 2.480 227 F HA 0.835 5.138 4.527 -0.668 -0.176 0.329 227 F C -0.857 174.258 175.800 -1.142 0.000 1.091 227 F CA -1.345 56.027 58.000 -1.047 0.000 0.972 227 F CB 3.986 41.976 39.000 -1.683 0.000 1.150 227 F HN 0.592 8.432 8.300 -0.766 0.000 0.467 228 Y N -0.529 119.363 120.300 -0.679 0.000 2.512 228 Y HA 0.643 5.123 4.550 -0.340 -0.134 0.348 228 Y C 0.135 175.764 175.900 -0.452 0.000 0.990 228 Y CA -1.735 55.972 58.100 -0.654 0.000 1.033 228 Y CB 3.537 41.281 38.460 -1.193 0.000 1.259 228 Y HN 0.811 8.748 8.280 -0.571 0.000 0.461 229 T N 4.279 118.834 114.554 0.001 0.000 2.919 229 T HA -0.010 4.568 4.350 0.147 -0.140 0.302 229 T C -0.731 174.111 174.700 0.238 0.000 1.031 229 T CA 1.049 63.230 62.100 0.134 0.000 1.127 229 T CB 0.650 69.620 68.868 0.170 0.000 0.952 229 T HN 0.499 8.774 8.240 0.059 0.000 0.540 230 H N 7.761 126.982 119.070 0.252 0.000 3.109 230 H HA 0.020 4.929 4.556 0.588 0.000 0.266 230 H C 0.500 175.991 175.328 0.271 0.000 1.334 230 H CA -0.354 55.915 56.048 0.368 0.000 1.456 230 H CB -0.685 29.251 29.762 0.290 0.000 1.587 230 H HN 0.219 8.620 8.280 0.365 0.098 0.500 231 V N 7.317 127.481 119.914 0.415 0.000 2.324 231 V HA -0.506 3.796 4.120 0.303 0.000 0.250 231 V C 1.920 178.230 176.094 0.360 0.000 1.060 231 V CA 4.376 66.884 62.300 0.347 0.000 1.042 231 V CB -0.373 31.627 31.823 0.294 0.000 0.650 231 V HN -0.063 8.354 8.190 0.378 0.000 0.450 232 F N -0.518 119.637 119.950 0.342 0.000 2.171 232 F HA -0.279 4.348 4.527 0.167 0.000 0.300 232 F C 1.476 177.380 175.800 0.172 0.000 1.090 232 F CA 2.771 60.915 58.000 0.239 0.000 1.293 232 F CB -0.171 38.963 39.000 0.222 0.000 1.013 232 F HN -0.375 8.279 8.300 0.590 0.000 0.486 233 R N -3.078 117.397 120.500 -0.041 0.000 2.237 233 R HA -0.223 3.865 4.340 -0.420 0.000 0.219 233 R C 0.939 177.160 176.300 -0.131 0.000 1.080 233 R CA 2.217 58.160 56.100 -0.262 0.000 0.995 233 R CB -0.110 30.027 30.300 -0.271 0.000 0.875 233 R HN -0.551 7.936 8.270 0.361 0.000 0.462 234 L N -3.753 117.474 121.223 0.007 0.000 2.857 234 L HA 0.341 4.762 4.340 0.135 0.000 0.249 234 L C -0.193 176.770 176.870 0.155 0.000 1.172 234 L CA -0.903 54.021 54.840 0.139 0.000 0.980 234 L CB -0.038 42.160 42.059 0.233 0.000 1.299 234 L HN -0.438 7.666 8.230 0.074 0.170 0.535 235 K N 1.174 121.559 120.400 -0.025 0.000 2.147 235 K HA -0.389 3.968 4.320 0.062 0.000 0.205 235 K C 1.100 177.683 176.600 -0.027 0.000 1.049 235 K CA 4.102 60.374 56.287 -0.025 0.000 0.936 235 K CB -0.122 32.298 32.500 -0.133 0.000 0.722 235 K HN -0.489 7.467 8.250 -0.180 0.186 0.446 236 K N -2.195 118.180 120.400 -0.041 0.000 2.097 236 K HA -0.291 3.995 4.320 -0.057 0.000 0.205 236 K C 2.305 178.906 176.600 0.003 0.000 1.050 236 K CA 2.695 58.965 56.287 -0.027 0.000 0.938 236 K CB -1.216 31.272 32.500 -0.020 0.000 0.718 236 K HN 0.058 8.257 8.250 -0.084 0.000 0.442 237 W N 1.147 122.402 121.300 -0.075 0.000 2.355 237 W HA -0.271 4.317 4.660 -0.121 0.000 0.309 237 W C 1.506 177.955 176.519 -0.118 0.000 1.206 237 W CA 3.511 60.791 57.345 -0.107 0.000 1.284 237 W CB -0.121 29.265 29.460 -0.124 0.000 1.145 237 W HN -0.886 7.431 8.180 0.245 0.010 0.502 238 I N -1.272 119.208 120.570 -0.151 0.000 2.127 238 I HA -0.783 2.905 4.170 -0.803 0.000 0.241 238 I C 2.069 177.899 176.117 -0.478 0.000 1.075 238 I CA 4.322 65.374 61.300 -0.413 0.000 1.334 238 I CB -0.375 37.569 38.000 -0.093 0.000 1.040 238 I HN -0.363 7.900 8.210 0.190 0.061 0.405 239 Q N -1.748 117.881 119.800 -0.286 0.000 2.112 239 Q HA -0.456 3.723 4.340 -0.268 0.000 0.206 239 Q C 2.295 178.103 176.000 -0.319 0.000 0.987 239 Q CA 3.486 59.135 55.803 -0.258 0.000 0.858 239 Q CB -0.347 28.303 28.738 -0.146 0.000 0.905 239 Q HN 0.119 8.281 8.270 -0.180 0.000 0.420 240 K N 0.166 120.366 120.400 -0.334 0.000 2.002 240 K HA -0.310 3.989 4.320 -0.262 -0.136 0.209 240 K C 2.598 178.934 176.600 -0.440 0.000 1.048 240 K CA 3.237 59.324 56.287 -0.333 0.000 0.930 240 K CB 0.104 32.446 32.500 -0.263 0.000 0.714 240 K HN -0.232 7.826 8.250 -0.304 0.009 0.438 241 V N -1.236 118.296 119.914 -0.635 0.000 2.515 241 V HA -0.276 3.696 4.120 -0.248 0.000 0.250 241 V C 1.634 177.428 176.094 -0.499 0.000 1.058 241 V CA 2.645 64.637 62.300 -0.513 0.000 1.064 241 V CB -0.178 31.130 31.823 -0.859 0.000 0.675 241 V HN -0.371 7.300 8.190 -0.864 0.000 0.461 242 I N 0.791 120.944 120.570 -0.696 0.000 2.113 242 I HA -0.497 3.121 4.170 -0.919 0.000 0.238 242 I C 1.460 177.408 176.117 -0.281 0.000 1.070 242 I CA 3.833 64.722 61.300 -0.686 0.000 1.332 242 I CB -0.239 37.300 38.000 -0.769 0.000 1.044 242 I HN -0.087 7.678 8.210 -0.727 0.009 0.402 243 D N -3.077 117.165 120.400 -0.263 0.000 2.378 243 D HA -0.130 4.448 4.640 -0.102 0.000 0.227 243 D C 0.896 177.066 176.300 -0.217 0.000 1.012 243 D CA 1.835 55.732 54.000 -0.171 0.000 0.905 243 D CB -0.610 40.102 40.800 -0.148 0.000 0.895 243 D HN -0.363 7.823 8.370 -0.307 0.000 0.532 244 Q N -2.450 117.139 119.800 -0.352 0.000 2.349 244 Q HA -0.001 4.088 4.340 -0.419 0.000 0.209 244 Q C -0.392 175.194 176.000 -0.690 0.000 0.920 244 Q CA 1.218 56.665 55.803 -0.593 0.000 0.901 244 Q CB 1.591 29.803 28.738 -0.877 0.000 1.021 244 Q HN -0.565 7.301 8.270 -0.361 0.187 0.519 245 F N 0.000 119.926 119.950 -0.040 0.000 2.286 245 F HA 0.000 4.585 4.527 0.096 0.000 0.279 245 F CA 0.000 58.059 58.000 0.099 0.000 1.383 245 F CB 0.000 39.078 39.000 0.130 0.000 1.145 245 F HN 0.000 8.181 8.300 -0.198 0.000 0.574