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 1c1q_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.174 4.170 0.006 0.000 0.288 16 I C 0.000 176.096 176.117 -0.035 0.000 1.063 16 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 16 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 17 V N 5.361 125.269 119.914 -0.010 0.000 2.435 17 V HA 0.265 4.502 4.120 -0.028 -0.134 0.290 17 V C 0.503 176.595 176.094 -0.003 0.000 1.030 17 V CA -1.692 60.600 62.300 -0.013 0.000 0.881 17 V CB 1.169 32.991 31.823 -0.001 0.000 0.983 17 V HN 0.794 8.992 8.190 0.013 0.000 0.445 18 G N 6.765 115.559 108.800 -0.011 0.000 2.160 18 G HA2 -0.395 3.559 3.960 -0.010 0.000 0.251 18 G HA3 -0.395 3.696 3.960 -0.023 -0.145 0.251 18 G C -0.677 174.230 174.900 0.012 0.000 1.008 18 G CA 0.497 45.591 45.100 -0.010 0.000 0.724 18 G HN 0.776 9.057 8.290 -0.016 0.000 0.514 19 G N -1.259 107.546 108.800 0.007 0.000 2.702 19 G HA2 0.532 4.528 3.960 0.090 0.000 0.254 19 G HA3 0.532 4.531 3.960 -0.092 -0.094 0.254 19 G C -1.837 173.105 174.900 0.070 0.000 1.380 19 G CA -1.126 43.980 45.100 0.009 0.000 1.042 19 G HN -0.660 7.585 8.290 -0.014 0.037 0.557 20 Y N -6.185 114.095 120.300 -0.033 0.000 2.638 20 Y HA 0.408 4.940 4.550 -0.030 0.000 0.339 20 Y C -1.880 173.993 175.900 -0.044 0.000 1.084 20 Y CA -2.756 55.324 58.100 -0.033 0.000 1.068 20 Y CB 1.328 39.772 38.460 -0.028 0.000 1.294 20 Y HN 0.383 8.221 8.280 -0.560 0.106 0.480 21 T N 3.002 117.616 114.554 0.100 0.000 2.799 21 T HA -0.012 4.423 4.350 -0.100 -0.145 0.296 21 T C 0.327 175.065 174.700 0.062 0.000 0.947 21 T CA 1.754 63.857 62.100 0.005 0.000 1.141 21 T CB -0.150 68.745 68.868 0.044 0.000 0.891 21 T HN 0.202 8.551 8.240 0.182 0.000 0.533 22 c N 6.937 125.473 118.600 -0.108 0.000 2.413 22 c HA -0.159 4.429 4.570 0.029 0.000 0.277 22 c C 0.156 174.274 174.090 0.047 0.000 1.228 22 c CA 1.168 57.467 56.329 -0.049 0.000 1.731 22 c CB -0.505 41.901 42.510 -0.174 0.000 2.042 22 c HN 0.530 8.641 8.230 -0.198 0.000 0.468 23 G N -2.937 105.867 108.800 0.006 0.000 2.592 23 G HA2 -0.231 3.745 3.960 0.028 0.000 0.685 23 G HA3 -0.231 3.748 3.960 0.033 0.000 0.685 23 G C -2.020 172.880 174.900 0.000 0.000 1.278 23 G CA -0.722 44.390 45.100 0.021 0.000 0.822 23 G HN -0.587 7.684 8.290 -0.032 0.000 0.652 24 A N 2.769 125.598 122.820 0.014 0.000 2.548 24 A HA -0.209 4.278 4.320 0.028 -0.151 0.247 24 A C -0.142 177.446 177.584 0.007 0.000 1.067 24 A CA 0.988 53.037 52.037 0.020 0.000 0.757 24 A CB 0.016 19.034 19.000 0.029 0.000 0.996 24 A HN 0.277 8.440 8.150 0.021 0.000 0.504 25 N N -2.046 116.656 118.700 0.002 0.000 2.721 25 N HA -0.381 4.345 4.740 -0.022 0.000 0.249 25 N C 0.322 175.810 175.510 -0.036 0.000 1.072 25 N CA 1.484 54.525 53.050 -0.014 0.000 0.710 25 N CB -1.092 37.398 38.487 0.006 0.000 0.993 25 N HN 0.517 8.905 8.380 0.015 0.000 0.547 26 T N -3.980 110.543 114.554 -0.052 0.000 3.081 26 T HA -0.020 4.318 4.350 -0.019 0.000 0.250 26 T C -0.445 174.195 174.700 -0.099 0.000 1.100 26 T CA 1.166 63.241 62.100 -0.042 0.000 1.038 26 T CB 0.712 69.572 68.868 -0.012 0.000 0.962 26 T HN -0.465 7.717 8.240 -0.057 0.023 0.516 27 V N 2.196 121.987 119.914 -0.205 0.000 2.320 27 V HA 0.355 4.199 4.120 -0.460 0.000 0.257 27 V C -1.183 174.588 176.094 -0.537 0.000 0.996 27 V CA -3.523 58.496 62.300 -0.467 0.000 0.928 27 V CB 1.025 32.554 31.823 -0.490 0.000 1.169 27 V HN -0.436 7.590 8.190 -0.175 0.059 0.475 28 P HA 0.047 4.492 4.420 -0.099 -0.084 0.230 28 P C 0.019 177.267 177.300 -0.087 0.000 1.158 28 P CA 1.614 64.634 63.100 -0.134 0.000 0.769 28 P CB 0.127 31.823 31.700 -0.007 0.000 0.807 29 Y N -5.708 114.617 120.300 0.042 0.000 2.466 29 Y HA 0.524 5.276 4.550 0.057 -0.167 0.272 29 Y C -0.615 175.323 175.900 0.064 0.000 1.169 29 Y CA -3.560 54.571 58.100 0.052 0.000 1.285 29 Y CB -1.387 37.099 38.460 0.044 0.000 1.078 29 Y HN -0.395 7.310 8.280 -0.859 0.060 0.523 30 Q N 2.306 121.987 119.800 -0.199 0.000 2.304 30 Q HA 0.256 4.793 4.340 0.101 -0.136 0.260 30 Q C -0.698 175.386 176.000 0.139 0.000 0.965 30 Q CA 0.052 55.839 55.803 -0.026 0.000 0.898 30 Q CB 0.838 29.447 28.738 -0.216 0.000 1.196 30 Q HN -0.689 7.224 8.270 -0.483 0.068 0.402 31 V N 6.373 126.410 119.914 0.206 0.000 2.960 31 V HA 0.484 4.856 4.120 0.213 -0.123 0.315 31 V C -1.602 174.662 176.094 0.284 0.000 1.087 31 V CA -1.623 60.804 62.300 0.211 0.000 0.982 31 V CB 4.120 36.020 31.823 0.129 0.000 1.039 31 V HN 0.472 8.778 8.190 0.194 0.000 0.437 32 S N 1.544 117.330 115.700 0.143 0.000 2.478 32 S HA 0.522 5.255 4.470 0.232 -0.124 0.312 32 S C -1.205 173.309 174.600 -0.143 0.000 1.094 32 S CA -1.659 56.563 58.200 0.037 0.000 1.081 32 S CB 1.570 64.584 63.200 -0.311 0.000 1.007 32 S HN 0.236 8.595 8.310 0.081 0.000 0.475 33 L N 7.301 128.315 121.223 -0.349 0.000 2.275 33 L HA 0.576 4.879 4.340 -0.287 -0.135 0.288 33 L C -1.499 175.002 176.870 -0.614 0.000 1.046 33 L CA -0.863 53.664 54.840 -0.522 0.000 0.805 33 L CB 0.818 42.354 42.059 -0.872 0.000 1.193 33 L HN 0.816 8.797 8.230 -0.415 0.000 0.426 38 G N 0.126 108.687 108.800 -0.399 0.000 2.201 38 G HA2 -0.257 3.627 3.960 -0.127 0.000 0.212 38 G HA3 -0.257 3.660 3.960 -0.072 0.000 0.212 38 G C -1.717 173.155 174.900 -0.047 0.000 0.994 38 G CA 0.224 45.217 45.100 -0.177 0.000 0.644 38 G HN 0.290 8.658 8.290 -0.331 -0.276 0.508 39 Y N -7.215 113.064 120.300 -0.035 0.000 2.702 39 Y HA 0.216 4.733 4.550 -0.055 0.000 0.336 39 Y C -2.488 173.432 175.900 0.034 0.000 1.203 39 Y CA -3.406 54.680 58.100 -0.023 0.000 1.072 39 Y CB 0.816 39.261 38.460 -0.024 0.000 1.327 39 Y HN -1.269 6.610 8.280 -0.739 -0.042 0.456 40 H N 2.432 121.516 119.070 0.024 0.000 2.848 40 H HA 0.045 4.654 4.556 -0.214 -0.181 0.317 40 H C -0.329 175.088 175.328 0.150 0.000 1.046 40 H CA -0.278 55.723 56.048 -0.079 0.000 1.470 40 H CB 0.386 30.038 29.762 -0.183 0.000 1.483 40 H HN 0.282 8.690 8.280 0.213 0.000 0.548 41 F N 2.396 122.006 119.950 -0.567 0.000 2.834 41 F HA 0.329 4.793 4.527 -0.106 0.000 0.332 41 F C -1.512 174.057 175.800 -0.385 0.000 1.056 41 F CA -0.698 57.127 58.000 -0.291 0.000 1.178 41 F CB 1.572 40.524 39.000 -0.080 0.000 1.037 41 F HN 0.083 7.777 8.300 -1.010 0.000 0.580 42 c N -1.373 116.515 118.600 -1.186 0.000 3.311 42 c HA 0.373 4.856 4.570 -0.234 -0.054 0.325 42 c C -1.640 172.233 174.090 -0.362 0.000 1.352 42 c CA -0.220 55.760 56.329 -0.581 0.000 1.308 42 c CB 4.052 46.275 42.510 -0.479 0.000 1.619 42 c HN -0.806 6.434 8.230 -1.650 0.000 0.469 43 G N -0.766 108.026 108.800 -0.013 0.000 2.552 43 G HA2 0.790 5.086 3.960 0.272 0.000 0.318 43 G HA3 0.790 4.887 3.960 0.228 0.000 0.318 43 G C -2.451 172.477 174.900 0.047 0.000 1.240 43 G CA -1.511 43.685 45.100 0.160 0.000 1.002 43 G HN 0.826 9.117 8.290 0.002 0.000 0.493 44 G N -3.829 105.033 108.800 0.104 0.000 2.559 44 G HA2 0.591 4.854 3.960 0.077 0.000 0.291 44 G HA3 0.591 4.587 3.960 0.060 0.000 0.291 44 G C -2.927 172.062 174.900 0.147 0.000 1.424 44 G CA 0.195 45.349 45.100 0.089 0.000 0.786 44 G HN -0.522 7.866 8.290 0.164 0.000 0.485 45 S N -0.646 115.145 115.700 0.152 0.000 2.521 45 S HA 0.870 5.714 4.470 0.273 -0.210 0.295 45 S C -1.445 173.259 174.600 0.173 0.000 1.098 45 S CA -0.895 57.428 58.200 0.204 0.000 0.999 45 S CB 3.915 67.220 63.200 0.176 0.000 1.034 45 S HN 0.427 8.813 8.310 0.127 0.000 0.483 46 L N 5.817 127.157 121.223 0.197 0.000 2.281 46 L HA 0.253 4.798 4.340 0.147 -0.117 0.285 46 L C -0.649 176.306 176.870 0.141 0.000 1.074 46 L CA -0.410 54.526 54.840 0.160 0.000 0.817 46 L CB 1.234 43.386 42.059 0.154 0.000 1.168 46 L HN 0.450 8.835 8.230 0.259 0.000 0.434 47 I N -0.022 120.629 120.570 0.135 0.000 3.941 47 I HA 0.436 4.799 4.170 0.068 -0.152 0.321 47 I C -0.903 175.273 176.117 0.099 0.000 1.284 47 I CA -0.395 60.963 61.300 0.097 0.000 1.226 47 I CB 0.728 38.775 38.000 0.078 0.000 1.045 47 I HN 0.453 8.761 8.210 0.164 0.000 0.420 48 N N -2.939 115.841 118.700 0.134 0.000 3.355 48 N HA 0.104 4.900 4.740 0.093 0.000 0.238 48 N C -0.542 175.044 175.510 0.126 0.000 1.466 48 N CA -0.277 52.847 53.050 0.123 0.000 0.882 48 N CB 1.075 39.641 38.487 0.130 0.000 1.406 48 N HN -0.971 7.503 8.380 0.157 0.000 0.500 49 S N -1.925 113.833 115.700 0.097 0.000 2.440 49 S HA -0.350 4.155 4.470 0.058 0.000 0.238 49 S C 0.879 175.501 174.600 0.036 0.000 1.010 49 S CA 2.634 60.872 58.200 0.064 0.000 0.972 49 S CB 0.051 63.279 63.200 0.047 0.000 0.774 49 S HN 0.481 8.845 8.310 0.090 0.000 0.501 50 Q N -2.523 117.310 119.800 0.056 0.000 2.246 50 Q HA 0.248 4.500 4.340 -0.147 0.000 0.222 50 Q C -1.013 174.793 176.000 -0.323 0.000 0.851 50 Q CA 0.079 55.809 55.803 -0.122 0.000 0.945 50 Q CB 1.278 29.941 28.738 -0.125 0.000 1.122 50 Q HN 0.029 8.338 8.270 0.144 0.047 0.508 51 W N -2.155 119.149 121.300 0.006 0.000 2.936 51 W HA 0.596 5.439 4.660 0.003 -0.181 0.338 51 W C -1.565 174.965 176.519 0.018 0.000 1.121 51 W CA -0.818 56.529 57.345 0.003 0.000 1.209 51 W CB 3.793 33.243 29.460 -0.018 0.000 1.420 51 W HN -0.542 7.780 8.180 0.236 0.000 0.516 52 V N 1.497 121.574 119.914 0.271 0.000 2.735 52 V HA 0.862 5.275 4.120 0.173 -0.189 0.310 52 V C -1.515 174.696 176.094 0.195 0.000 1.061 52 V CA -1.817 60.593 62.300 0.183 0.000 0.913 52 V CB 3.892 35.779 31.823 0.107 0.000 1.005 52 V HN 0.784 9.152 8.190 0.297 0.000 0.428 53 V N 1.736 121.741 119.914 0.152 0.000 2.628 53 V HA 1.035 5.425 4.120 0.157 -0.176 0.306 53 V C -1.712 174.444 176.094 0.103 0.000 1.045 53 V CA -2.853 59.529 62.300 0.136 0.000 0.905 53 V CB 2.526 34.421 31.823 0.121 0.000 0.997 53 V HN 0.514 8.788 8.190 0.141 0.000 0.436 54 S N 4.056 119.805 115.700 0.081 0.000 2.880 54 S HA 0.560 5.245 4.470 0.042 -0.191 0.308 54 S C -1.808 172.789 174.600 -0.005 0.000 1.195 54 S CA -2.364 55.855 58.200 0.032 0.000 0.866 54 S CB 2.346 65.550 63.200 0.006 0.000 1.254 54 S HN 0.580 8.949 8.310 0.098 0.000 0.571 55 A N -0.640 122.135 122.820 -0.075 0.000 2.303 55 A HA 0.441 4.859 4.320 -0.090 -0.152 0.317 55 A C 0.463 177.923 177.584 -0.206 0.000 1.149 55 A CA -1.527 50.426 52.037 -0.141 0.000 0.822 55 A CB 1.444 20.306 19.000 -0.231 0.000 1.131 55 A HN 0.305 8.398 8.150 -0.095 0.000 0.493 56 A N 4.525 127.170 122.820 -0.292 0.000 1.972 56 A HA -0.240 3.930 4.320 -0.251 0.000 0.219 56 A C 1.340 178.696 177.584 -0.380 0.000 1.169 56 A CA 2.821 54.569 52.037 -0.482 0.000 0.635 56 A CB -0.324 17.993 19.000 -1.140 0.000 0.810 56 A HN 0.576 8.606 8.150 -0.270 -0.043 0.446 57 H N -4.424 114.506 119.070 -0.234 0.000 2.561 57 H HA -0.090 4.523 4.556 0.096 0.000 0.278 57 H C 0.200 175.588 175.328 0.099 0.000 1.014 57 H CA 1.522 57.591 56.048 0.035 0.000 1.211 57 H CB -1.361 28.483 29.762 0.136 0.000 1.365 57 H HN 0.037 8.516 8.280 -0.166 -0.299 0.594 58 c N -1.470 117.012 118.600 -0.198 0.000 2.697 58 c HA 0.016 4.653 4.570 0.112 0.000 0.267 58 c C 0.359 174.538 174.090 0.147 0.000 1.278 58 c CA 0.029 56.367 56.329 0.014 0.000 1.708 58 c CB -1.706 40.773 42.510 -0.052 0.000 1.860 58 c HN -0.315 7.547 8.230 -0.291 0.194 0.589 59 Y N 2.746 123.048 120.300 0.004 0.000 2.712 59 Y HA -0.244 4.327 4.550 0.035 0.000 0.333 59 Y C -0.824 175.066 175.900 -0.017 0.000 1.225 59 Y CA 1.940 60.046 58.100 0.011 0.000 1.499 59 Y CB 0.553 39.005 38.460 -0.012 0.000 1.288 59 Y HN -0.384 7.789 8.280 0.142 0.192 0.575 60 K N 6.426 126.169 120.400 -1.096 0.000 2.575 60 K HA 0.202 3.961 4.320 -0.935 0.000 0.279 60 K C -2.126 173.983 176.600 -0.818 0.000 0.969 60 K CA -1.463 54.267 56.287 -0.928 0.000 0.868 60 K CB 4.006 36.100 32.500 -0.677 0.000 1.457 60 K HN 0.056 7.757 8.250 -0.915 0.000 0.426 61 S N -0.733 114.651 115.700 -0.526 0.000 2.616 61 S HA 0.186 4.543 4.470 -0.188 0.000 0.277 61 S C 0.462 174.944 174.600 -0.195 0.000 1.234 61 S CA -0.109 57.944 58.200 -0.246 0.000 1.028 61 S CB 0.275 63.407 63.200 -0.113 0.000 0.988 61 S HN 0.127 8.159 8.310 -0.463 0.000 0.522 62 G N 2.637 111.364 108.800 -0.121 0.000 2.368 62 G HA2 -0.225 3.688 3.960 -0.079 0.000 0.290 62 G HA3 -0.225 3.662 3.960 -0.122 0.000 0.290 62 G C -1.619 173.215 174.900 -0.111 0.000 1.098 62 G CA -0.023 45.011 45.100 -0.109 0.000 1.073 62 G HN 0.227 8.467 8.290 -0.083 0.000 0.511 63 I N -1.080 119.447 120.570 -0.071 0.000 2.460 63 I HA 0.196 4.496 4.170 -0.001 -0.130 0.298 63 I C -2.083 174.008 176.117 -0.044 0.000 0.989 63 I CA -1.465 59.823 61.300 -0.020 0.000 1.173 63 I CB 2.191 40.215 38.000 0.040 0.000 1.338 63 I HN -0.509 7.664 8.210 -0.062 0.000 0.456 64 Q N 5.589 125.351 119.800 -0.063 0.000 2.340 64 Q HA 0.475 4.884 4.340 -0.058 -0.104 0.268 64 Q C -1.785 174.156 176.000 -0.097 0.000 1.031 64 Q CA -1.441 54.312 55.803 -0.084 0.000 0.804 64 Q CB 3.958 32.616 28.738 -0.133 0.000 1.286 64 Q HN 0.311 8.547 8.270 -0.057 0.000 0.448 65 V N 6.937 126.816 119.914 -0.058 0.000 2.439 65 V HA 0.255 4.448 4.120 -0.076 -0.118 0.282 65 V C -1.275 174.819 176.094 0.001 0.000 1.039 65 V CA -0.101 62.175 62.300 -0.041 0.000 0.913 65 V CB 1.161 32.976 31.823 -0.013 0.000 0.983 65 V HN 1.043 9.105 8.190 -0.035 0.107 0.460 66 R N 6.240 126.733 120.500 -0.011 0.000 2.360 66 R HA 0.678 5.377 4.340 0.295 -0.182 0.318 66 R C -1.028 175.349 176.300 0.129 0.000 0.950 66 R CA -1.302 54.858 56.100 0.101 0.000 0.837 66 R CB 1.550 31.786 30.300 -0.107 0.000 1.165 66 R HN 0.776 9.016 8.270 -0.050 0.000 0.458 70 E N -0.818 119.485 120.200 0.171 0.000 2.277 70 E HA 0.157 4.595 4.350 0.147 0.000 0.274 70 E C -1.795 174.992 176.600 0.312 0.000 1.022 70 E CA -0.006 56.518 56.400 0.206 0.000 0.853 70 E CB 1.521 31.301 29.700 0.133 0.000 1.086 70 E HN -0.606 7.839 8.360 0.196 0.033 0.397 71 D N 1.595 122.152 120.400 0.262 0.000 3.045 71 D HA 0.057 4.897 4.640 0.334 0.000 0.196 71 D C -1.076 175.424 176.300 0.333 0.000 1.520 71 D CA 1.050 55.215 54.000 0.276 0.000 1.466 71 D CB 2.483 43.364 40.800 0.134 0.000 1.152 71 D HN 0.077 8.554 8.370 0.178 0.000 0.254 72 N N 0.971 119.776 118.700 0.176 0.000 2.408 72 N HA 0.276 5.270 4.740 0.181 -0.146 0.257 72 N C 2.102 177.620 175.510 0.014 0.000 1.064 72 N CA -0.627 52.496 53.050 0.122 0.000 0.952 72 N CB 0.786 39.319 38.487 0.077 0.000 1.093 72 N HN -0.239 8.552 8.380 0.130 -0.333 0.490 73 I N -0.060 120.426 120.570 -0.140 0.000 3.444 73 I HA -0.025 4.165 4.170 -0.245 -0.166 0.287 73 I C -0.432 175.595 176.117 -0.149 0.000 1.302 73 I CA 1.073 62.194 61.300 -0.298 0.000 1.368 73 I CB -0.749 36.824 38.000 -0.712 0.000 1.048 73 I HN 0.667 8.804 8.210 -0.122 0.000 0.487 74 N N -1.860 116.800 118.700 -0.067 0.000 2.205 74 N HA 0.166 4.883 4.740 -0.038 0.000 0.201 74 N C -1.050 174.464 175.510 0.007 0.000 1.128 74 N CA -0.152 52.882 53.050 -0.027 0.000 0.867 74 N CB 2.114 40.594 38.487 -0.010 0.000 0.996 74 N HN -0.061 8.569 8.380 -0.045 -0.276 0.503 75 V N 0.386 120.311 119.914 0.019 0.000 2.577 75 V HA 0.060 4.200 4.120 0.033 0.000 0.303 75 V C -1.382 174.742 176.094 0.049 0.000 1.042 75 V CA -0.948 61.373 62.300 0.034 0.000 0.872 75 V CB 3.308 35.150 31.823 0.031 0.000 0.998 75 V HN -0.796 7.401 8.190 0.013 0.000 0.423 76 V N 7.800 127.746 119.914 0.052 0.000 2.387 76 V HA -0.194 4.181 4.120 0.068 -0.215 0.260 76 V C 0.367 176.469 176.094 0.014 0.000 1.054 76 V CA 0.707 63.032 62.300 0.043 0.000 0.967 76 V CB -0.534 31.306 31.823 0.030 0.000 1.036 76 V HN 0.349 8.566 8.190 0.046 0.000 0.481 77 E N 9.057 129.266 120.200 0.015 0.000 2.479 77 E HA 0.006 4.362 4.350 0.010 0.000 0.193 77 E C 0.608 177.203 176.600 -0.008 0.000 1.049 77 E CA 0.066 56.472 56.400 0.010 0.000 0.870 77 E CB 0.236 29.951 29.700 0.026 0.000 0.944 77 E HN 0.415 9.190 8.360 0.026 -0.400 0.492 78 G N -1.402 107.379 108.800 -0.031 0.000 2.238 78 G HA2 -0.348 3.575 3.960 -0.062 0.000 0.217 78 G HA3 -0.348 3.593 3.960 -0.031 0.000 0.217 78 G C -0.007 174.860 174.900 -0.055 0.000 0.996 78 G CA 0.366 45.439 45.100 -0.046 0.000 0.632 78 G HN 0.073 8.495 8.290 -0.040 -0.155 0.503 79 N N 0.033 118.709 118.700 -0.041 0.000 2.214 79 N HA 0.074 4.789 4.740 -0.043 0.000 0.214 79 N C -1.480 173.998 175.510 -0.053 0.000 1.132 79 N CA -0.673 52.355 53.050 -0.036 0.000 0.856 79 N CB 0.703 39.187 38.487 -0.005 0.000 1.020 79 N HN 0.320 8.685 8.380 -0.024 0.000 0.509 80 E N -0.111 120.023 120.200 -0.110 0.000 2.349 80 E HA 0.251 4.815 4.350 -0.031 -0.233 0.262 80 E C -0.190 176.247 176.600 -0.271 0.000 1.088 80 E CA -0.131 56.173 56.400 -0.160 0.000 0.899 80 E CB 0.758 30.284 29.700 -0.290 0.000 1.044 80 E HN -0.467 7.749 8.360 -0.126 0.069 0.420 81 Q N 0.508 120.213 119.800 -0.159 0.000 2.274 81 Q HA 0.303 4.512 4.340 -0.218 0.000 0.268 81 Q C -1.411 174.652 176.000 0.104 0.000 1.015 81 Q CA -1.124 54.612 55.803 -0.112 0.000 0.775 81 Q CB 3.178 31.904 28.738 -0.020 0.000 1.256 81 Q HN 0.297 8.565 8.270 -0.004 0.000 0.442 82 F N 3.700 123.633 119.950 -0.028 0.000 2.402 82 F HA 0.856 5.548 4.527 -0.042 -0.190 0.355 82 F C 0.131 175.908 175.800 -0.037 0.000 1.123 82 F CA -1.716 56.261 58.000 -0.038 0.000 1.021 82 F CB 1.857 40.833 39.000 -0.041 0.000 1.160 82 F HN 0.289 8.545 8.300 -0.073 0.000 0.451 83 I N 4.766 125.419 120.570 0.138 0.000 2.533 83 I HA 0.294 4.492 4.170 0.047 0.000 0.290 83 I C -0.977 175.144 176.117 0.008 0.000 1.056 83 I CA -1.245 60.084 61.300 0.048 0.000 1.057 83 I CB 3.900 41.911 38.000 0.019 0.000 1.240 83 I HN 0.979 9.267 8.210 0.131 0.000 0.423 84 S N 6.515 122.210 115.700 -0.009 0.000 2.603 84 S HA 0.079 4.637 4.470 -0.035 -0.109 0.268 84 S C -0.630 173.940 174.600 -0.051 0.000 1.317 84 S CA 1.036 59.217 58.200 -0.031 0.000 1.012 84 S CB 0.906 64.088 63.200 -0.031 0.000 0.926 84 S HN 0.495 8.803 8.310 -0.003 0.000 0.539 85 A N 2.392 125.180 122.820 -0.054 0.000 2.327 85 A HA 0.416 4.814 4.320 -0.101 -0.138 0.283 85 A C -0.419 177.121 177.584 -0.072 0.000 1.127 85 A CA -0.793 51.201 52.037 -0.072 0.000 0.810 85 A CB 0.920 19.893 19.000 -0.045 0.000 1.066 85 A HN -0.246 7.876 8.150 -0.046 0.000 0.492 86 S N 2.167 117.804 115.700 -0.105 0.000 2.475 86 S HA 0.079 4.514 4.470 -0.059 0.000 0.224 86 S C 0.430 174.995 174.600 -0.058 0.000 1.042 86 S CA 1.214 59.363 58.200 -0.085 0.000 0.935 86 S CB 1.410 64.541 63.200 -0.114 0.000 0.801 86 S HN 0.679 8.785 8.310 -0.155 0.111 0.509 87 K N 0.821 121.178 120.400 -0.072 0.000 2.568 87 K HA 0.234 4.572 4.320 0.030 0.000 0.273 87 K C -2.441 174.182 176.600 0.039 0.000 0.951 87 K CA 0.309 56.596 56.287 -0.000 0.000 0.854 87 K CB 2.977 35.484 32.500 0.012 0.000 1.424 87 K HN -0.818 7.357 8.250 -0.126 0.000 0.427 88 S N 2.380 118.150 115.700 0.117 0.000 2.526 88 S HA 0.934 5.688 4.470 0.177 -0.178 0.293 88 S C -0.939 173.773 174.600 0.188 0.000 1.092 88 S CA -0.867 57.441 58.200 0.180 0.000 0.980 88 S CB 2.580 65.931 63.200 0.251 0.000 1.048 88 S HN 0.103 8.485 8.310 0.120 0.000 0.483 89 I N 5.402 126.103 120.570 0.219 0.000 2.503 89 I HA 0.301 4.565 4.170 0.156 0.000 0.282 89 I C -2.046 174.221 176.117 0.250 0.000 1.059 89 I CA -0.787 60.643 61.300 0.217 0.000 1.081 89 I CB 2.568 40.718 38.000 0.249 0.000 1.210 89 I HN 0.953 9.311 8.210 0.247 0.000 0.450 90 V N 7.224 127.217 119.914 0.132 0.000 2.607 90 V HA -0.115 4.058 4.120 0.089 0.000 0.289 90 V C -0.319 175.839 176.094 0.105 0.000 1.053 90 V CA -0.799 61.542 62.300 0.069 0.000 0.996 90 V CB 0.997 32.771 31.823 -0.081 0.000 0.995 90 V HN 0.245 8.471 8.190 0.059 0.000 0.476 91 H N 8.062 127.066 119.070 -0.110 0.000 3.064 91 H HA -0.088 4.032 4.556 -0.727 0.000 0.329 91 H C 0.053 175.273 175.328 -0.180 0.000 1.020 91 H CA 0.916 56.705 56.048 -0.432 0.000 1.402 91 H CB 1.640 31.041 29.762 -0.603 0.000 1.379 91 H HN -0.149 8.146 8.280 0.025 0.000 0.594 92 P HA -0.126 4.242 4.420 -0.086 0.000 0.218 92 P C -0.301 176.978 177.300 -0.035 0.000 1.146 92 P CA 1.756 64.729 63.100 -0.211 0.000 0.813 92 P CB 0.311 31.867 31.700 -0.239 0.000 0.778 93 S N -2.677 113.109 115.700 0.142 0.000 2.574 93 S HA 0.067 4.584 4.470 0.078 0.000 0.242 93 S C -1.112 173.598 174.600 0.184 0.000 0.982 93 S CA -0.073 58.236 58.200 0.182 0.000 0.977 93 S CB 0.804 64.114 63.200 0.183 0.000 0.814 93 S HN -0.422 8.013 8.310 0.260 0.031 0.464 94 Y N 3.831 124.178 120.300 0.078 0.000 2.526 94 Y HA -0.285 4.447 4.550 -0.028 -0.200 0.330 94 Y C -0.779 175.113 175.900 -0.012 0.000 1.156 94 Y CA 0.841 58.943 58.100 0.003 0.000 1.419 94 Y CB 0.809 39.268 38.460 -0.001 0.000 1.250 94 Y HN -0.785 7.609 8.280 0.306 0.069 0.540 95 N N 7.717 126.042 118.700 -0.625 0.000 2.518 95 N HA 0.238 4.697 4.740 -0.468 0.000 0.254 95 N C -0.236 174.732 175.510 -0.902 0.000 0.979 95 N CA -1.156 51.542 53.050 -0.585 0.000 0.930 95 N CB 1.474 39.791 38.487 -0.283 0.000 1.152 95 N HN -0.143 7.974 8.380 -0.438 0.000 0.505 96 S N 6.247 121.404 115.700 -0.905 0.000 2.507 96 S HA -0.127 3.946 4.470 -0.662 0.000 0.235 96 S C 0.993 175.409 174.600 -0.307 0.000 0.988 96 S CA 2.524 60.381 58.200 -0.572 0.000 0.944 96 S CB -0.203 62.857 63.200 -0.234 0.000 0.762 96 S HN 0.727 8.613 8.310 -0.708 0.000 0.526 97 N N 1.033 119.558 118.700 -0.291 0.000 2.290 97 N HA -0.049 4.575 4.740 -0.193 0.000 0.179 97 N C 0.979 176.331 175.510 -0.263 0.000 1.016 97 N CA 2.256 55.172 53.050 -0.222 0.000 0.871 97 N CB 0.706 39.090 38.487 -0.171 0.000 0.987 97 N HN 0.028 8.409 8.380 -0.322 -0.194 0.431 98 T N -4.150 110.237 114.554 -0.279 0.000 3.001 98 T HA 0.104 4.244 4.350 -0.351 0.000 0.251 98 T C 0.069 174.557 174.700 -0.353 0.000 1.040 98 T CA -0.354 61.566 62.100 -0.301 0.000 0.985 98 T CB 1.556 70.307 68.868 -0.195 0.000 1.011 98 T HN -0.508 7.795 8.240 -0.282 -0.232 0.509 99 L N -3.353 117.699 121.223 -0.286 0.000 4.089 99 L HA -0.501 3.909 4.340 -0.006 -0.074 0.408 99 L C -1.862 175.031 176.870 0.038 0.000 1.184 99 L CA 0.518 55.293 54.840 -0.108 0.000 0.947 99 L CB -2.688 39.240 42.059 -0.219 0.000 2.066 99 L HN -0.125 7.915 8.230 -0.317 0.000 0.851 100 N N -0.828 117.852 118.700 -0.032 0.000 2.530 100 N HA -0.141 4.655 4.740 0.093 0.000 0.273 100 N C -0.072 175.490 175.510 0.087 0.000 1.173 100 N CA 0.587 53.662 53.050 0.041 0.000 0.967 100 N CB 1.173 39.658 38.487 -0.004 0.000 1.109 100 N HN -0.756 7.503 8.380 -0.133 0.042 0.453 101 N N -0.823 117.927 118.700 0.082 0.000 2.756 101 N HA -0.468 4.211 4.740 -0.101 0.000 0.248 101 N C -1.417 174.065 175.510 -0.048 0.000 1.062 101 N CA 1.350 54.350 53.050 -0.084 0.000 0.696 101 N CB -1.458 36.901 38.487 -0.213 0.000 0.946 101 N HN 0.637 9.088 8.380 0.119 0.000 0.548 102 D N -0.793 119.626 120.400 0.032 0.000 2.551 102 D HA 0.069 4.700 4.640 -0.014 0.000 0.223 102 D C -2.051 174.158 176.300 -0.151 0.000 1.144 102 D CA -0.283 53.732 54.000 0.025 0.000 1.025 102 D CB -0.709 40.215 40.800 0.207 0.000 1.085 102 D HN -0.047 8.360 8.370 0.062 0.000 0.506 103 I N 1.727 122.139 120.570 -0.265 0.000 2.827 103 I HA 0.754 5.029 4.170 -0.117 -0.175 0.298 103 I C -3.066 173.018 176.117 -0.054 0.000 1.235 103 I CA -1.557 59.628 61.300 -0.192 0.000 1.021 103 I CB 3.866 41.639 38.000 -0.379 0.000 1.259 103 I HN -0.202 7.793 8.210 -0.288 0.042 0.427 104 M N 3.915 123.564 119.600 0.082 0.000 2.520 104 M HA 0.786 5.592 4.480 0.330 -0.128 0.280 104 M C -2.814 173.630 176.300 0.241 0.000 1.232 104 M CA -0.980 54.440 55.300 0.200 0.000 0.892 104 M CB 4.728 37.389 32.600 0.102 0.000 1.728 104 M HN 0.480 8.809 8.290 0.066 0.000 0.475 105 L N 0.027 121.422 121.223 0.286 0.000 2.346 105 L HA 0.930 5.612 4.340 0.256 -0.188 0.276 105 L C -1.298 175.770 176.870 0.329 0.000 1.006 105 L CA -1.465 53.547 54.840 0.286 0.000 0.817 105 L CB 3.563 45.734 42.059 0.186 0.000 1.272 105 L HN 0.484 8.911 8.230 0.329 0.000 0.421 106 I N 1.003 121.753 120.570 0.301 0.000 2.466 106 I HA 0.549 4.954 4.170 0.110 -0.170 0.289 106 I C -1.711 174.343 176.117 -0.104 0.000 1.026 106 I CA -1.307 60.063 61.300 0.117 0.000 1.078 106 I CB 3.192 41.236 38.000 0.072 0.000 1.249 106 I HN 0.910 9.320 8.210 0.333 0.000 0.429 107 K N 6.536 126.674 120.400 -0.436 0.000 2.156 107 K HA 0.700 4.403 4.320 -1.319 -0.174 0.271 107 K C -1.016 175.299 176.600 -0.474 0.000 0.995 107 K CA -2.026 53.670 56.287 -0.984 0.000 0.890 107 K CB 3.215 34.952 32.500 -1.273 0.000 1.073 107 K HN 0.739 8.831 8.250 -0.262 0.000 0.454 108 L N 4.630 125.595 121.223 -0.430 0.000 2.375 108 L HA 0.175 4.526 4.340 -0.166 -0.111 0.271 108 L C 1.759 178.508 176.870 -0.201 0.000 1.107 108 L CA 0.091 54.796 54.840 -0.225 0.000 0.806 108 L CB 0.326 42.291 42.059 -0.157 0.000 1.146 108 L HN 0.644 8.530 8.230 -0.574 0.000 0.447 109 K N 2.436 122.760 120.400 -0.127 0.000 2.211 109 K HA -0.245 4.009 4.320 -0.110 0.000 0.203 109 K C 0.072 176.624 176.600 -0.080 0.000 1.050 109 K CA 2.515 58.744 56.287 -0.096 0.000 0.945 109 K CB 0.408 32.871 32.500 -0.061 0.000 0.732 109 K HN 0.566 8.755 8.250 -0.102 0.000 0.451 110 S N -3.923 111.733 115.700 -0.072 0.000 2.595 110 S HA 0.143 4.583 4.470 -0.050 0.000 0.281 110 S C -1.865 172.703 174.600 -0.055 0.000 1.117 110 S CA -1.288 56.882 58.200 -0.052 0.000 0.873 110 S CB 2.238 65.419 63.200 -0.032 0.000 1.108 110 S HN -0.480 7.758 8.310 -0.075 0.028 0.477 111 A N 1.389 124.186 122.820 -0.039 0.000 2.388 111 A HA 0.080 4.535 4.320 -0.039 -0.158 0.257 111 A C -0.563 177.014 177.584 -0.013 0.000 1.095 111 A CA -0.137 51.885 52.037 -0.026 0.000 0.791 111 A CB 0.835 19.830 19.000 -0.008 0.000 1.029 111 A HN 0.200 8.331 8.150 -0.032 0.000 0.489 112 A N 2.736 125.554 122.820 -0.003 0.000 2.332 112 A HA 0.193 4.599 4.320 0.002 -0.085 0.258 112 A C -0.405 177.186 177.584 0.011 0.000 1.087 112 A CA -1.008 51.034 52.037 0.008 0.000 0.802 112 A CB 1.119 20.133 19.000 0.023 0.000 1.042 112 A HN 0.415 8.452 8.150 -0.002 0.111 0.489 113 S N 0.718 116.422 115.700 0.008 0.000 2.410 113 S HA 0.124 4.600 4.470 0.009 0.000 0.304 113 S C -0.984 173.626 174.600 0.016 0.000 1.095 113 S CA -0.616 57.589 58.200 0.008 0.000 1.089 113 S CB 0.141 63.340 63.200 -0.002 0.000 0.968 113 S HN 0.080 8.761 8.310 0.004 -0.369 0.480 114 L N 6.617 127.854 121.223 0.023 0.000 2.371 114 L HA 0.053 4.529 4.340 0.035 -0.115 0.272 114 L C -0.313 176.571 176.870 0.024 0.000 1.124 114 L CA -0.077 54.782 54.840 0.030 0.000 0.816 114 L CB 0.541 42.623 42.059 0.038 0.000 1.129 114 L HN 0.308 8.551 8.230 0.022 0.000 0.448 115 N N 2.901 121.616 118.700 0.026 0.000 3.449 115 N HA 0.163 4.914 4.740 0.019 0.000 0.312 115 N C -0.325 175.200 175.510 0.025 0.000 1.557 115 N CA -0.486 52.576 53.050 0.020 0.000 0.864 115 N CB 0.822 39.316 38.487 0.012 0.000 1.799 115 N HN 0.449 8.848 8.380 0.033 0.000 0.554 116 S N -0.719 114.994 115.700 0.020 0.000 2.370 116 S HA -0.319 4.168 4.470 0.028 0.000 0.226 116 S C 0.623 175.236 174.600 0.023 0.000 1.033 116 S CA 3.232 61.446 58.200 0.023 0.000 1.011 116 S CB -0.374 62.836 63.200 0.017 0.000 0.852 116 S HN 0.342 8.661 8.310 0.016 0.000 0.457 117 R N -1.950 118.561 120.500 0.018 0.000 2.240 117 R HA -0.099 4.247 4.340 0.011 0.000 0.203 117 R C -1.232 175.081 176.300 0.022 0.000 1.011 117 R CA 1.085 57.194 56.100 0.016 0.000 1.007 117 R CB 0.879 31.186 30.300 0.013 0.000 0.911 117 R HN -0.255 8.248 8.270 0.016 -0.224 0.468 118 V N -1.713 118.220 119.914 0.031 0.000 2.447 118 V HA 0.277 4.624 4.120 0.048 -0.198 0.292 118 V C -2.078 174.053 176.094 0.061 0.000 1.021 118 V CA -1.160 61.168 62.300 0.046 0.000 0.850 118 V CB 2.588 34.435 31.823 0.040 0.000 1.005 118 V HN -0.707 7.492 8.190 0.029 0.008 0.426 119 A N 7.018 129.892 122.820 0.089 0.000 2.556 119 A HA 0.634 5.005 4.320 0.085 0.000 0.294 119 A C -2.816 174.861 177.584 0.155 0.000 1.091 119 A CA -1.678 50.425 52.037 0.109 0.000 0.704 119 A CB 2.959 22.028 19.000 0.115 0.000 1.300 119 A HN 0.109 8.198 8.150 0.095 0.118 0.406 120 S N -1.544 114.232 115.700 0.127 0.000 2.687 120 S HA 0.660 5.359 4.470 0.165 -0.130 0.283 120 S C -0.845 173.811 174.600 0.093 0.000 1.170 120 S CA -0.980 57.295 58.200 0.127 0.000 1.008 120 S CB 1.992 65.246 63.200 0.089 0.000 1.026 120 S HN -0.023 8.346 8.310 0.098 0.000 0.541 121 I N 0.544 121.125 120.570 0.018 0.000 2.562 121 I HA 0.247 4.340 4.170 -0.129 0.000 0.301 121 I C -1.580 174.486 176.117 -0.085 0.000 1.003 121 I CA -1.780 59.430 61.300 -0.150 0.000 1.127 121 I CB 3.789 41.486 38.000 -0.505 0.000 1.304 121 I HN 0.419 8.656 8.210 0.046 0.000 0.446 122 S N 6.367 122.014 115.700 -0.088 0.000 2.584 122 S HA 0.221 4.674 4.470 -0.028 0.000 0.273 122 S C -0.774 173.797 174.600 -0.048 0.000 1.311 122 S CA -0.265 57.906 58.200 -0.049 0.000 1.034 122 S CB 0.675 63.851 63.200 -0.040 0.000 0.939 122 S HN 0.303 8.545 8.310 -0.114 0.000 0.513 123 L N 2.499 123.709 121.223 -0.023 0.000 2.399 123 L HA 0.205 4.544 4.340 -0.003 0.000 0.266 123 L C -1.201 175.664 176.870 -0.008 0.000 1.114 123 L CA -2.415 52.422 54.840 -0.005 0.000 0.804 123 L CB 0.295 42.359 42.059 0.007 0.000 1.146 123 L HN 0.238 8.457 8.230 -0.018 0.000 0.451 124 P HA 0.117 4.525 4.420 -0.019 0.000 0.277 124 P C -1.128 176.170 177.300 -0.003 0.000 1.240 124 P CA -0.516 62.579 63.100 -0.008 0.000 0.798 124 P CB 0.478 32.174 31.700 -0.007 0.000 0.979 128 c N 0.629 119.201 118.600 -0.047 0.000 2.520 128 c HA 0.111 4.637 4.570 -0.073 0.000 0.376 128 c C 0.116 174.144 174.090 -0.104 0.000 1.268 128 c CA -0.381 55.903 56.329 -0.075 0.000 2.414 128 c CB 0.525 42.994 42.510 -0.068 0.000 2.521 128 c HN -0.035 8.171 8.230 -0.041 0.000 0.618 129 A N 1.640 124.362 122.820 -0.164 0.000 2.279 129 A HA 0.083 4.330 4.320 -0.123 0.000 0.303 129 A C -0.986 176.493 177.584 -0.175 0.000 1.108 129 A CA -0.353 51.581 52.037 -0.171 0.000 0.830 129 A CB 0.903 19.769 19.000 -0.223 0.000 1.106 129 A HN 0.140 8.164 8.150 -0.210 0.000 0.493 133 G N 0.842 109.602 108.800 -0.066 0.000 2.258 133 G HA2 -0.291 3.637 3.960 -0.054 0.000 0.233 133 G HA3 -0.291 3.642 3.960 -0.045 0.000 0.233 133 G C -0.107 174.756 174.900 -0.062 0.000 1.006 133 G CA 0.019 45.085 45.100 -0.056 0.000 0.620 133 G HN 0.695 8.825 8.290 -0.070 0.119 0.511 134 T N 4.087 118.594 114.554 -0.079 0.000 2.928 134 T HA -0.139 4.176 4.350 -0.058 0.000 0.305 134 T C -0.762 173.894 174.700 -0.073 0.000 1.035 134 T CA 2.301 64.355 62.100 -0.077 0.000 1.145 134 T CB 0.438 69.244 68.868 -0.104 0.000 0.963 134 T HN -0.444 7.659 8.240 -0.093 0.082 0.545 135 Q N 4.584 124.355 119.800 -0.048 0.000 2.243 135 Q HA 0.134 4.576 4.340 -0.043 -0.128 0.252 135 Q C -0.877 175.106 176.000 -0.029 0.000 0.909 135 Q CA 0.080 55.864 55.803 -0.031 0.000 0.922 135 Q CB 1.543 30.281 28.738 -0.000 0.000 1.215 135 Q HN 0.234 8.480 8.270 -0.039 0.000 0.427 136 c N 1.009 119.593 118.600 -0.027 0.000 2.913 136 c HA 0.635 5.313 4.570 -0.016 -0.117 0.322 136 c C -1.686 172.412 174.090 0.013 0.000 1.292 136 c CA -1.393 54.924 56.329 -0.021 0.000 1.649 136 c CB 4.223 46.701 42.510 -0.053 0.000 2.139 136 c HN 0.841 8.938 8.230 -0.029 0.116 0.475 137 L N 0.743 121.982 121.223 0.026 0.000 2.333 137 L HA 0.853 5.402 4.340 0.057 -0.175 0.280 137 L C -2.234 174.655 176.870 0.032 0.000 1.004 137 L CA -1.340 53.530 54.840 0.050 0.000 0.820 137 L CB 3.204 45.315 42.059 0.087 0.000 1.247 137 L HN 0.661 8.794 8.230 0.021 0.109 0.416 138 I N 7.543 128.117 120.570 0.005 0.000 2.474 138 I HA 0.857 5.268 4.170 0.026 -0.225 0.294 138 I C -1.421 174.668 176.117 -0.047 0.000 1.005 138 I CA -1.558 59.743 61.300 0.001 0.000 1.113 138 I CB 2.762 40.766 38.000 0.007 0.000 1.289 138 I HN 0.981 9.194 8.210 0.004 0.000 0.436 139 S N 2.446 118.114 115.700 -0.054 0.000 2.588 139 S HA 1.013 5.518 4.470 -0.220 -0.166 0.275 139 S C -1.158 173.329 174.600 -0.188 0.000 1.130 139 S CA -1.724 56.370 58.200 -0.177 0.000 0.855 139 S CB 3.773 66.830 63.200 -0.237 0.000 1.116 139 S HN -0.197 8.115 8.310 0.002 0.000 0.472 140 G N -1.068 107.529 108.800 -0.338 0.000 2.321 140 G HA2 0.143 3.859 3.960 -0.408 0.000 0.298 140 G HA3 0.143 4.196 3.960 -0.049 -0.122 0.298 140 G C -2.278 172.417 174.900 -0.342 0.000 1.385 140 G CA 0.573 45.501 45.100 -0.287 0.000 0.856 140 G HN 0.349 8.383 8.290 -0.426 0.000 0.584 141 W N 1.365 122.636 121.300 -0.047 0.000 2.937 141 W HA 0.386 5.002 4.660 -0.073 0.000 0.435 141 W C -0.306 176.253 176.519 0.067 0.000 0.912 141 W CA -0.970 56.318 57.345 -0.096 0.000 2.209 141 W CB -0.137 29.090 29.460 -0.388 0.000 1.144 141 W HN 0.577 8.943 8.180 0.309 0.000 0.762 142 G N 0.727 109.675 108.800 0.248 0.000 2.588 142 G HA2 -0.004 4.256 3.960 0.482 0.000 0.281 142 G HA3 -0.004 4.253 3.960 0.213 -0.169 0.281 142 G C -0.953 173.930 174.900 -0.029 0.000 1.236 142 G CA -0.952 44.299 45.100 0.251 0.000 0.969 142 G HN -0.369 8.149 8.290 0.145 -0.141 0.504 143 N N -0.387 118.134 118.700 -0.298 0.000 2.294 143 N HA -0.309 3.904 4.740 -1.156 -0.167 0.248 143 N C 0.766 176.115 175.510 -0.269 0.000 1.242 143 N CA 1.262 53.922 53.050 -0.650 0.000 0.848 143 N CB 0.575 38.752 38.487 -0.518 0.000 1.084 143 N HN 0.107 8.448 8.380 -0.066 0.000 0.457 144 T N -0.370 114.041 114.554 -0.238 0.000 3.085 144 T HA 0.185 4.600 4.350 -0.088 -0.118 0.264 144 T C 0.040 174.691 174.700 -0.082 0.000 1.019 144 T CA 0.192 62.223 62.100 -0.114 0.000 0.910 144 T CB 1.380 70.200 68.868 -0.082 0.000 1.059 144 T HN 0.350 8.405 8.240 -0.308 0.000 0.542 145 K N 1.666 122.009 120.400 -0.096 0.000 2.259 145 K HA 0.358 4.656 4.320 -0.036 0.000 0.249 145 K C -0.278 176.303 176.600 -0.033 0.000 0.942 145 K CA -2.152 54.105 56.287 -0.051 0.000 0.816 145 K CB 2.322 34.795 32.500 -0.045 0.000 1.155 145 K HN -0.737 7.616 8.250 -0.147 -0.192 0.428 146 S N 1.130 116.823 115.700 -0.013 0.000 2.406 146 S HA -0.130 4.411 4.470 0.005 -0.068 0.224 146 S C -0.007 174.597 174.600 0.008 0.000 1.030 146 S CA 1.904 60.106 58.200 0.003 0.000 0.958 146 S CB 0.640 63.846 63.200 0.010 0.000 0.811 146 S HN 0.218 8.521 8.310 -0.011 0.000 0.489 147 S N 1.129 116.832 115.700 0.005 0.000 2.406 147 S HA 0.145 4.625 4.470 0.016 0.000 0.224 147 S C -0.945 173.660 174.600 0.008 0.000 1.426 147 S CA -0.479 57.727 58.200 0.011 0.000 1.179 147 S CB 0.373 63.579 63.200 0.011 0.000 1.042 147 S HN -0.425 7.885 8.310 0.000 0.000 0.479 148 G N 3.226 112.032 108.800 0.010 0.000 2.369 148 G HA2 -0.157 3.816 3.960 0.022 0.000 0.295 148 G HA3 -0.157 3.807 3.960 0.007 0.000 0.295 148 G C -2.658 172.245 174.900 0.006 0.000 1.298 148 G CA -0.279 44.828 45.100 0.012 0.000 0.940 148 G HN -0.311 7.987 8.290 0.013 0.000 0.536 149 T N -0.039 114.527 114.554 0.020 0.000 2.879 149 T HA 0.185 4.677 4.350 -0.048 -0.171 0.290 149 T C -1.455 173.256 174.700 0.018 0.000 0.993 149 T CA -0.276 61.840 62.100 0.026 0.000 0.975 149 T CB 2.362 71.312 68.868 0.137 0.000 0.981 149 T HN -0.078 8.179 8.240 0.028 0.000 0.439 150 S N 5.620 121.263 115.700 -0.094 0.000 2.653 150 S HA 0.186 4.706 4.470 0.082 0.000 0.268 150 S C -2.306 172.194 174.600 -0.168 0.000 1.153 150 S CA 0.538 58.720 58.200 -0.029 0.000 1.036 150 S CB 1.150 64.332 63.200 -0.030 0.000 1.103 150 S HN 0.527 9.010 8.310 -0.291 -0.347 0.466 151 Y N 5.621 125.954 120.300 0.054 0.000 2.331 151 Y HA 0.281 4.879 4.550 0.080 0.000 0.338 151 Y C -1.227 174.714 175.900 0.070 0.000 0.992 151 Y CA -2.780 55.363 58.100 0.072 0.000 1.121 151 Y CB 0.950 39.458 38.460 0.080 0.000 1.184 151 Y HN 0.139 8.601 8.280 0.303 0.000 0.469 152 P HA 0.400 4.889 4.420 0.115 0.000 0.278 152 P C -1.725 175.697 177.300 0.204 0.000 1.258 152 P CA -0.766 62.422 63.100 0.147 0.000 0.811 152 P CB 2.274 34.031 31.700 0.094 0.000 1.063 153 D N -1.663 118.839 120.400 0.171 0.000 2.423 153 D HA -0.024 4.691 4.640 0.126 0.000 0.208 153 D C -1.543 174.924 176.300 0.279 0.000 1.068 153 D CA 0.687 54.784 54.000 0.161 0.000 0.860 153 D CB 0.997 41.848 40.800 0.085 0.000 0.992 153 D HN 0.417 8.866 8.370 0.132 0.000 0.504 154 V N -7.291 112.785 119.914 0.269 0.000 2.850 154 V HA 0.643 5.254 4.120 0.402 -0.249 0.315 154 V C -0.887 175.257 176.094 0.084 0.000 1.064 154 V CA -2.901 59.554 62.300 0.260 0.000 0.979 154 V CB 2.266 34.157 31.823 0.112 0.000 1.039 154 V HN -0.954 7.348 8.190 0.187 0.000 0.452 155 L N 2.095 123.229 121.223 -0.147 0.000 2.455 155 L HA -0.036 3.559 4.340 -1.242 0.000 0.272 155 L C -0.302 176.324 176.870 -0.406 0.000 1.174 155 L CA 0.780 55.211 54.840 -0.682 0.000 0.869 155 L CB 0.737 42.363 42.059 -0.721 0.000 1.130 155 L HN -0.098 8.340 8.230 0.051 -0.178 0.474 156 K N 5.449 125.582 120.400 -0.446 0.000 2.203 156 K HA 0.673 4.952 4.320 -0.331 -0.158 0.251 156 K C -1.239 175.104 176.600 -0.427 0.000 0.944 156 K CA -2.539 53.536 56.287 -0.352 0.000 0.829 156 K CB 2.655 35.013 32.500 -0.237 0.000 1.125 156 K HN -0.197 7.713 8.250 -0.567 0.000 0.430 157 c N -0.361 117.881 118.600 -0.596 0.000 2.707 157 c HA 1.003 5.512 4.570 -0.405 -0.182 0.313 157 c C -1.760 171.960 174.090 -0.617 0.000 1.209 157 c CA -0.851 55.075 56.329 -0.672 0.000 1.635 157 c CB 3.670 45.608 42.510 -0.954 0.000 2.206 157 c HN 0.828 8.529 8.230 -0.705 0.106 0.485 158 L N 0.861 121.931 121.223 -0.254 0.000 2.526 158 L HA 0.445 4.826 4.340 0.068 0.000 0.263 158 L C -2.593 174.340 176.870 0.105 0.000 0.943 158 L CA 0.132 54.970 54.840 -0.004 0.000 0.859 158 L CB 4.461 46.534 42.059 0.025 0.000 1.313 158 L HN 0.776 8.891 8.230 -0.191 0.000 0.406 159 K N 6.129 126.654 120.400 0.208 0.000 2.185 159 K HA 0.945 5.567 4.320 0.123 -0.229 0.269 159 K C -0.990 175.736 176.600 0.211 0.000 0.987 159 K CA -1.012 55.381 56.287 0.177 0.000 0.865 159 K CB 1.810 34.420 32.500 0.184 0.000 1.090 159 K HN 0.325 8.735 8.250 0.266 0.000 0.450 160 A N 3.504 126.387 122.820 0.104 0.000 2.574 160 A HA 0.675 5.012 4.320 0.029 0.000 0.297 160 A C -3.446 174.074 177.584 -0.107 0.000 1.062 160 A CA -2.341 49.692 52.037 -0.006 0.000 0.686 160 A CB 3.012 22.003 19.000 -0.015 0.000 1.285 160 A HN 0.819 9.000 8.150 0.053 0.000 0.403 161 P HA 0.782 5.353 4.420 -0.100 -0.211 0.285 161 P C -1.137 176.086 177.300 -0.127 0.000 1.269 161 P CA -1.503 61.510 63.100 -0.146 0.000 0.844 161 P CB 1.727 33.341 31.700 -0.142 0.000 1.094 162 I N -0.654 119.861 120.570 -0.093 0.000 2.529 162 I HA -0.041 4.267 4.170 0.051 -0.107 0.284 162 I C 0.163 176.259 176.117 -0.035 0.000 1.082 162 I CA 0.472 61.745 61.300 -0.045 0.000 1.406 162 I CB 0.497 38.400 38.000 -0.162 0.000 1.405 162 I HN 0.093 8.241 8.210 -0.104 0.000 0.548 163 L N 6.229 127.466 121.223 0.023 0.000 2.387 163 L HA 0.289 4.615 4.340 -0.024 0.000 0.266 163 L C -0.494 176.392 176.870 0.027 0.000 1.059 163 L CA -1.108 53.738 54.840 0.009 0.000 0.801 163 L CB 0.855 42.927 42.059 0.023 0.000 1.223 163 L HN 0.326 8.616 8.230 0.101 0.000 0.456 164 S N -0.455 115.253 115.700 0.013 0.000 2.572 164 S HA -0.085 4.391 4.470 0.009 0.000 0.279 164 S C 0.664 175.289 174.600 0.041 0.000 1.341 164 S CA -0.500 57.711 58.200 0.017 0.000 1.043 164 S CB 1.120 64.325 63.200 0.008 0.000 0.887 164 S HN 0.121 8.433 8.310 0.003 0.000 0.516 165 D N 3.014 123.440 120.400 0.044 0.000 2.178 165 D HA -0.257 4.434 4.640 0.085 0.000 0.201 165 D C 1.903 178.235 176.300 0.054 0.000 0.980 165 D CA 3.649 57.687 54.000 0.063 0.000 0.842 165 D CB -0.342 40.494 40.800 0.059 0.000 0.948 165 D HN 0.542 8.931 8.370 0.031 0.000 0.472 166 S N -0.892 114.830 115.700 0.037 0.000 2.368 166 S HA -0.319 4.172 4.470 0.035 0.000 0.225 166 S C 1.864 176.481 174.600 0.028 0.000 1.030 166 S CA 3.426 61.645 58.200 0.031 0.000 0.999 166 S CB -0.231 62.981 63.200 0.020 0.000 0.844 166 S HN 0.157 8.471 8.310 0.030 0.014 0.459 167 S N 2.861 118.575 115.700 0.025 0.000 2.406 167 S HA -0.033 4.439 4.470 0.005 0.000 0.228 167 S C 1.910 176.524 174.600 0.023 0.000 1.020 167 S CA 2.885 61.093 58.200 0.014 0.000 0.965 167 S CB -0.241 62.964 63.200 0.009 0.000 0.798 167 S HN -0.505 7.820 8.310 0.025 0.000 0.488 168 c N 3.863 122.495 118.600 0.055 0.000 2.462 168 c HA -0.258 4.374 4.570 0.103 0.000 0.278 168 c C 1.996 176.164 174.090 0.130 0.000 1.253 168 c CA 3.063 59.452 56.329 0.100 0.000 1.713 168 c CB -1.829 40.748 42.510 0.111 0.000 2.049 168 c HN -0.190 7.973 8.230 0.055 0.100 0.477 169 K N -1.165 119.298 120.400 0.104 0.000 2.148 169 K HA -0.299 4.119 4.320 0.164 0.000 0.204 169 K C 2.202 178.845 176.600 0.073 0.000 1.050 169 K CA 3.037 59.391 56.287 0.111 0.000 0.942 169 K CB -0.061 32.490 32.500 0.085 0.000 0.724 169 K HN 0.184 8.485 8.250 0.085 0.000 0.446 170 S N -1.068 114.651 115.700 0.031 0.000 2.406 170 S HA -0.244 4.234 4.470 0.012 0.000 0.228 170 S C 0.730 175.299 174.600 -0.051 0.000 1.020 170 S CA 2.757 60.957 58.200 -0.001 0.000 0.965 170 S CB -0.051 63.145 63.200 -0.008 0.000 0.798 170 S HN -0.341 7.987 8.310 0.030 0.000 0.488 171 A N -0.573 122.180 122.820 -0.112 0.000 1.929 171 A HA -0.095 4.058 4.320 -0.280 0.000 0.216 171 A C -0.838 176.460 177.584 -0.476 0.000 1.176 171 A CA 1.809 53.635 52.037 -0.352 0.000 0.628 171 A CB 0.869 19.558 19.000 -0.518 0.000 0.816 171 A HN -0.780 7.223 8.150 -0.060 0.112 0.444 172 Y N -5.339 114.998 120.300 0.062 0.000 2.747 172 Y HA 0.478 5.101 4.550 0.122 0.000 0.362 172 Y C -2.508 173.454 175.900 0.103 0.000 1.026 172 Y CA -3.195 54.976 58.100 0.119 0.000 1.135 172 Y CB -0.091 38.493 38.460 0.208 0.000 1.175 172 Y HN -0.615 7.699 8.280 0.057 0.000 0.643 173 P HA 0.021 4.606 4.420 0.103 -0.103 0.264 173 P C 0.498 177.866 177.300 0.114 0.000 1.193 173 P CA 0.407 63.573 63.100 0.110 0.000 0.763 173 P CB 0.210 31.948 31.700 0.064 0.000 0.810 174 G N 4.961 113.819 108.800 0.097 0.000 2.166 174 G HA2 -0.239 3.759 3.960 0.063 0.000 0.260 174 G HA3 -0.239 3.755 3.960 0.056 0.000 0.260 174 G C 0.046 174.999 174.900 0.087 0.000 0.986 174 G CA 0.866 46.011 45.100 0.075 0.000 0.683 174 G HN 0.461 8.806 8.290 0.091 0.000 0.527 175 Q N -2.265 117.624 119.800 0.148 0.000 2.280 175 Q HA 0.082 4.461 4.340 0.065 0.000 0.228 175 Q C -0.347 175.785 176.000 0.221 0.000 0.857 175 Q CA -0.207 55.690 55.803 0.157 0.000 0.939 175 Q CB 1.592 30.468 28.738 0.231 0.000 1.114 175 Q HN -0.375 7.950 8.270 0.188 0.058 0.514 176 I N 0.090 120.788 120.570 0.214 0.000 2.353 176 I HA 0.047 4.362 4.170 0.243 0.000 0.293 176 I C -0.055 176.140 176.117 0.131 0.000 0.992 176 I CA -2.098 59.318 61.300 0.193 0.000 1.268 176 I CB -0.558 37.542 38.000 0.168 0.000 1.387 176 I HN -0.546 7.780 8.210 0.194 0.000 0.478 177 T N 2.157 116.786 114.554 0.124 0.000 2.919 177 T HA 0.381 4.775 4.350 0.072 0.000 0.282 177 T C 0.668 175.422 174.700 0.089 0.000 1.020 177 T CA -2.125 60.027 62.100 0.088 0.000 0.994 177 T CB 2.590 71.503 68.868 0.074 0.000 1.180 177 T HN -0.387 7.943 8.240 0.151 0.000 0.566 178 S N -1.839 113.900 115.700 0.065 0.000 2.555 178 S HA -0.202 4.309 4.470 0.070 0.000 0.230 178 S C 0.337 174.980 174.600 0.073 0.000 0.978 178 S CA 2.075 60.310 58.200 0.059 0.000 0.934 178 S CB -0.245 62.971 63.200 0.025 0.000 0.766 178 S HN 0.291 8.631 8.310 0.049 0.000 0.533 179 N N 0.626 119.382 118.700 0.093 0.000 2.276 179 N HA 0.152 4.957 4.740 0.109 0.000 0.212 179 N C -1.718 173.915 175.510 0.204 0.000 1.127 179 N CA -0.359 52.778 53.050 0.144 0.000 0.834 179 N CB 0.725 39.319 38.487 0.178 0.000 1.014 179 N HN -0.565 7.795 8.380 0.090 0.075 0.491 180 M N -1.484 118.221 119.600 0.175 0.000 2.593 180 M HA 0.816 5.560 4.480 0.098 -0.205 0.290 180 M C -2.141 174.274 176.300 0.192 0.000 1.244 180 M CA -0.361 55.017 55.300 0.130 0.000 0.857 180 M CB 5.244 37.893 32.600 0.082 0.000 1.738 180 M HN -0.705 7.588 8.290 0.155 0.090 0.461 181 F N -4.865 115.126 119.950 0.069 0.000 2.668 181 F HA 0.638 5.191 4.527 0.043 0.000 0.309 181 F C -2.602 173.249 175.800 0.085 0.000 1.117 181 F CA -1.861 56.175 58.000 0.062 0.000 0.951 181 F CB 2.342 41.376 39.000 0.056 0.000 1.323 181 F HN 0.145 8.290 8.300 -0.257 0.000 0.451 182 c N -0.081 118.669 118.600 0.249 0.000 2.391 182 c HA 1.006 5.818 4.570 0.073 -0.199 0.339 182 c C -1.124 173.144 174.090 0.296 0.000 1.205 182 c CA -1.120 55.310 56.329 0.168 0.000 1.937 182 c CB 2.790 45.364 42.510 0.107 0.000 2.341 182 c HN 0.875 9.298 8.230 0.322 0.000 0.516 183 A N 2.855 125.834 122.820 0.265 0.000 2.446 183 A HA 0.660 5.154 4.320 0.067 -0.134 0.282 183 A C -2.256 175.370 177.584 0.071 0.000 1.102 183 A CA -0.612 51.493 52.037 0.114 0.000 0.737 183 A CB 2.795 21.751 19.000 -0.074 0.000 1.212 183 A HN 0.434 8.786 8.150 0.336 0.000 0.434 184 Y N 2.928 123.259 120.300 0.052 0.000 2.436 184 Y HA 0.053 4.653 4.550 0.032 -0.031 0.343 184 Y C 1.170 177.086 175.900 0.027 0.000 1.008 184 Y CA -0.239 57.882 58.100 0.035 0.000 1.241 184 Y CB 0.204 38.682 38.460 0.030 0.000 1.153 184 Y HN 0.225 8.625 8.280 0.200 0.000 0.521 185 L N 4.491 125.782 121.223 0.112 0.000 2.191 185 L HA -0.380 3.990 4.340 0.049 0.000 0.212 185 L C 1.027 177.941 176.870 0.074 0.000 1.103 185 L CA 2.628 57.507 54.840 0.065 0.000 0.769 185 L CB -0.487 41.591 42.059 0.032 0.000 0.908 185 L HN 0.568 8.846 8.230 0.081 0.000 0.438 186 E N -3.688 116.575 120.200 0.105 0.000 2.338 186 E HA -0.182 4.196 4.350 0.048 0.000 0.197 186 E C 0.520 177.158 176.600 0.064 0.000 1.007 186 E CA 0.388 56.831 56.400 0.072 0.000 0.849 186 E CB -0.293 29.448 29.700 0.068 0.000 0.774 186 E HN 0.161 8.578 8.360 0.149 0.032 0.506 187 G N 0.761 109.620 108.800 0.099 0.000 3.436 187 G HA2 -0.380 3.638 3.960 0.096 0.000 0.685 187 G HA3 -0.380 3.610 3.960 0.050 0.000 0.685 187 G C -0.915 174.015 174.900 0.050 0.000 1.039 187 G CA -0.331 44.815 45.100 0.077 0.000 0.879 187 G HN -0.432 7.773 8.290 0.152 0.176 0.478 188 K N 2.249 122.654 120.400 0.008 0.000 7.008 188 K HA -0.595 3.973 4.320 0.022 -0.236 0.643 188 K C -1.257 175.446 176.600 0.173 0.000 2.544 188 K CA 0.957 57.273 56.287 0.049 0.000 1.902 188 K CB 0.161 32.613 32.500 -0.080 0.000 1.909 188 K HN 0.189 8.466 8.250 0.045 0.000 0.285 189 D N 0.408 120.887 120.400 0.131 0.000 2.764 189 D HA 0.255 5.012 4.640 0.195 0.000 0.293 189 D C -1.943 174.423 176.300 0.111 0.000 1.287 189 D CA -0.580 53.507 54.000 0.145 0.000 0.768 189 D CB 3.744 44.612 40.800 0.114 0.000 1.288 189 D HN -0.007 8.416 8.370 0.087 0.000 0.426 190 S N -1.412 114.367 115.700 0.132 0.000 2.707 190 S HA 0.276 4.858 4.470 0.085 -0.062 0.276 190 S C -1.451 173.190 174.600 0.068 0.000 1.179 190 S CA -0.332 57.935 58.200 0.111 0.000 0.992 190 S CB 1.666 64.973 63.200 0.178 0.000 1.030 190 S HN 0.257 8.666 8.310 0.166 0.000 0.554 191 c N -1.404 117.237 118.600 0.068 0.000 3.314 191 c HA 0.251 4.855 4.570 0.057 0.000 0.344 191 c C -1.168 172.990 174.090 0.112 0.000 1.461 191 c CA -1.005 55.363 56.329 0.065 0.000 1.249 191 c CB 2.967 45.493 42.510 0.027 0.000 1.632 191 c HN 0.406 8.976 8.230 0.084 -0.289 0.452 192 Q N 0.634 120.513 119.800 0.133 0.000 2.315 192 Q HA -0.207 4.255 4.340 0.203 0.000 0.289 192 Q C 0.964 177.144 176.000 0.301 0.000 1.044 192 Q CA 1.000 56.928 55.803 0.209 0.000 0.920 192 Q CB -0.477 28.393 28.738 0.220 0.000 1.214 192 Q HN 0.516 8.849 8.270 0.105 0.000 0.392 193 G N 4.044 113.039 108.800 0.325 0.000 2.259 193 G HA2 -0.418 3.771 3.960 0.380 0.000 0.217 193 G HA3 -0.418 3.884 3.960 0.569 0.000 0.217 193 G C 0.479 175.621 174.900 0.403 0.000 1.001 193 G CA 0.965 46.322 45.100 0.429 0.000 0.627 193 G HN 0.511 8.970 8.290 0.281 0.000 0.501 194 D N 1.909 122.476 120.400 0.277 0.000 2.346 194 D HA 0.119 4.907 4.640 0.247 0.000 0.206 194 D C 0.106 176.517 176.300 0.185 0.000 1.001 194 D CA 0.802 54.932 54.000 0.216 0.000 0.871 194 D CB 0.572 41.459 40.800 0.145 0.000 0.943 194 D HN 0.007 8.413 8.370 0.243 0.109 0.518 195 S N -0.391 115.425 115.700 0.192 0.000 2.599 195 S HA -0.580 4.145 4.470 0.201 -0.135 0.303 195 S C 1.035 175.673 174.600 0.064 0.000 1.267 195 S CA 2.587 60.895 58.200 0.181 0.000 1.055 195 S CB 0.020 63.402 63.200 0.303 0.000 0.790 195 S HN -0.477 7.924 8.310 0.219 0.040 0.500 196 G N 4.458 113.281 108.800 0.038 0.000 2.225 196 G HA2 -0.453 3.561 3.960 -0.020 0.000 0.254 196 G HA3 -0.453 3.581 3.960 -0.058 -0.109 0.254 196 G C -0.297 174.644 174.900 0.067 0.000 0.988 196 G CA 0.213 45.312 45.100 -0.002 0.000 0.625 196 G HN 0.919 9.158 8.290 0.091 0.106 0.527 197 G N 0.856 109.721 108.800 0.109 0.000 2.616 197 G HA2 0.321 4.359 3.960 0.131 0.000 0.268 197 G HA3 0.321 4.359 3.960 0.130 0.000 0.268 197 G C -2.623 172.366 174.900 0.148 0.000 1.213 197 G CA -1.992 43.187 45.100 0.131 0.000 0.926 197 G HN -0.318 7.953 8.290 0.117 0.090 0.523 198 P HA 0.331 4.965 4.420 0.144 -0.127 0.281 198 P C -1.579 175.798 177.300 0.129 0.000 1.249 198 P CA -0.781 62.418 63.100 0.165 0.000 0.810 198 P CB 1.553 33.411 31.700 0.265 0.000 1.008 199 V N 2.047 122.016 119.914 0.093 0.000 2.419 199 V HA 0.343 4.652 4.120 0.008 -0.185 0.287 199 V C -1.308 174.804 176.094 0.030 0.000 1.017 199 V CA -0.489 61.828 62.300 0.029 0.000 0.844 199 V CB 2.135 33.948 31.823 -0.018 0.000 1.011 199 V HN -0.229 8.020 8.190 0.098 0.000 0.429 200 V N 8.017 127.939 119.914 0.013 0.000 2.417 200 V HA 0.655 4.938 4.120 -0.059 -0.199 0.291 200 V C -1.312 174.767 176.094 -0.026 0.000 1.024 200 V CA -1.293 60.986 62.300 -0.035 0.000 0.861 200 V CB 2.880 34.661 31.823 -0.070 0.000 0.985 200 V HN 0.623 8.834 8.190 0.035 0.000 0.436 201 c N 6.660 125.231 118.600 -0.049 0.000 2.482 201 c HA 0.595 5.144 4.570 -0.036 0.000 0.317 201 c C 0.584 174.644 174.090 -0.051 0.000 1.197 201 c CA -1.661 54.636 56.329 -0.053 0.000 1.432 201 c CB 1.989 44.447 42.510 -0.088 0.000 2.062 201 c HN 0.652 8.846 8.230 -0.059 0.000 0.471 202 S N 5.378 121.056 115.700 -0.037 0.000 3.549 202 S HA -0.391 4.067 4.470 -0.021 0.000 0.366 202 S C 0.128 174.708 174.600 -0.033 0.000 1.012 202 S CA 1.275 59.457 58.200 -0.031 0.000 1.141 202 S CB -0.956 62.221 63.200 -0.038 0.000 0.910 202 S HN 1.208 9.501 8.310 -0.028 0.000 0.471 203 G N -5.057 103.722 108.800 -0.035 0.000 2.162 203 G HA2 -0.371 3.563 3.960 -0.044 0.000 0.260 203 G HA3 -0.371 3.570 3.960 -0.032 0.000 0.260 203 G C -0.741 174.111 174.900 -0.079 0.000 0.976 203 G CA 0.381 45.453 45.100 -0.047 0.000 0.655 203 G HN 0.406 8.665 8.290 -0.027 0.014 0.533 210 Q N 1.120 120.943 119.800 0.038 0.000 2.392 210 Q HA 0.205 4.587 4.340 0.069 0.000 0.219 210 Q C -0.266 175.903 176.000 0.282 0.000 0.895 210 Q CA 0.100 55.950 55.803 0.077 0.000 0.929 210 Q CB 2.630 31.331 28.738 -0.061 0.000 1.077 210 Q HN 0.369 8.651 8.270 0.020 0.000 0.532 211 G N -3.008 105.969 108.800 0.296 0.000 2.695 211 G HA2 0.588 5.044 3.960 0.407 0.000 0.290 211 G HA3 0.588 4.818 3.960 0.450 0.000 0.290 211 G C -3.298 171.733 174.900 0.219 0.000 1.410 211 G CA -0.486 44.832 45.100 0.364 0.000 0.844 211 G HN -0.374 8.026 8.290 0.184 0.000 0.478 212 I N -1.434 119.261 120.570 0.208 0.000 2.533 212 I HA 0.569 5.066 4.170 0.174 -0.222 0.290 212 I C -0.490 175.757 176.117 0.215 0.000 1.056 212 I CA -1.415 59.990 61.300 0.176 0.000 1.057 212 I CB 4.462 42.525 38.000 0.105 0.000 1.240 212 I HN -0.409 7.992 8.210 0.190 -0.077 0.423 213 V N 7.206 127.258 119.914 0.231 0.000 2.458 213 V HA -0.218 3.912 4.120 0.017 0.000 0.287 213 V C -1.152 174.976 176.094 0.058 0.000 1.009 213 V CA 2.096 64.472 62.300 0.127 0.000 1.091 213 V CB -1.144 30.782 31.823 0.170 0.000 0.960 213 V HN 0.509 8.826 8.190 0.210 0.000 0.476 214 S N 7.796 123.431 115.700 -0.109 0.000 2.942 214 S HA 0.406 5.091 4.470 0.358 0.000 0.220 214 S C -1.162 173.505 174.600 0.111 0.000 0.945 214 S CA 1.162 59.431 58.200 0.115 0.000 0.851 214 S CB 2.053 65.314 63.200 0.102 0.000 0.820 214 S HN -0.102 7.935 8.310 -0.455 0.000 0.624 215 W N -4.230 116.891 121.300 -0.299 0.000 2.962 215 W HA 0.276 4.797 4.660 -0.232 0.000 0.405 215 W C -2.662 173.673 176.519 -0.306 0.000 1.121 215 W CA -0.619 56.556 57.345 -0.283 0.000 1.164 215 W CB 0.986 30.277 29.460 -0.282 0.000 1.489 215 W HN -0.119 7.761 8.180 -0.499 0.000 0.599 216 G N -2.427 106.420 108.800 0.079 0.000 2.321 216 G HA2 0.112 3.789 3.960 -0.471 0.000 0.296 216 G HA3 0.112 4.009 3.960 -0.105 0.000 0.296 216 G C -2.249 172.780 174.900 0.215 0.000 1.287 216 G CA 0.239 45.287 45.100 -0.086 0.000 0.846 216 G HN -0.024 8.509 8.290 0.406 0.000 0.508 220 c N 1.753 120.387 118.600 0.057 0.000 3.471 220 c HA 0.308 5.070 4.570 0.057 -0.157 0.191 220 c C -1.385 172.733 174.090 0.047 0.000 1.480 220 c CA -1.024 55.335 56.329 0.050 0.000 1.281 220 c CB -1.300 41.231 42.510 0.036 0.000 1.898 220 c HN 0.311 8.572 8.230 0.050 0.000 0.533 221 Q N -1.045 118.786 119.800 0.052 0.000 2.920 221 Q HA 0.104 4.463 4.340 0.032 0.000 0.255 221 Q C -1.206 174.815 176.000 0.035 0.000 0.976 221 Q CA -0.511 55.316 55.803 0.039 0.000 0.862 221 Q CB 2.279 31.040 28.738 0.039 0.000 1.952 221 Q HN 0.199 8.505 8.270 0.061 0.000 0.489 222 K N 2.623 123.037 120.400 0.024 0.000 2.436 222 K HA -0.284 4.185 4.320 0.031 -0.130 0.275 222 K C 0.283 176.881 176.600 -0.003 0.000 0.999 222 K CA 1.267 57.565 56.287 0.018 0.000 0.980 222 K CB 0.140 32.647 32.500 0.012 0.000 0.919 222 K HN 0.260 8.522 8.250 0.021 0.000 0.484 223 N N 2.006 120.701 118.700 -0.009 0.000 2.713 223 N HA -0.362 4.354 4.740 -0.040 0.000 0.251 223 N C -1.224 174.219 175.510 -0.112 0.000 1.117 223 N CA 1.957 54.976 53.050 -0.051 0.000 0.770 223 N CB -0.943 37.507 38.487 -0.062 0.000 1.137 223 N HN 0.702 8.977 8.380 0.011 0.112 0.566 224 K N -1.433 118.931 120.400 -0.059 0.000 2.762 224 K HA 0.528 4.689 4.320 -0.264 0.000 0.180 224 K C -2.352 174.291 176.600 0.071 0.000 1.067 224 K CA -3.753 52.499 56.287 -0.059 0.000 0.973 224 K CB 0.264 32.776 32.500 0.019 0.000 1.290 224 K HN -0.710 7.476 8.250 -0.008 0.059 0.604 225 P HA -0.043 4.436 4.420 0.097 0.000 0.273 225 P C -0.614 176.731 177.300 0.075 0.000 1.250 225 P CA -0.443 62.716 63.100 0.099 0.000 0.793 225 P CB 1.136 32.884 31.700 0.081 0.000 1.011 226 G N -2.304 106.515 108.800 0.031 0.000 2.476 226 G HA2 0.320 4.105 3.960 -0.292 0.000 0.269 226 G HA3 0.320 4.235 3.960 -0.187 -0.068 0.269 226 G C -1.793 172.816 174.900 -0.485 0.000 1.195 226 G CA -0.731 44.231 45.100 -0.230 0.000 0.843 226 G HN -0.375 7.988 8.290 0.122 0.000 0.545 227 V N 1.545 120.846 119.914 -1.021 0.000 2.495 227 V HA 0.617 4.487 4.120 -0.695 -0.167 0.298 227 V C -0.954 174.375 176.094 -1.274 0.000 1.031 227 V CA -1.006 60.623 62.300 -1.119 0.000 0.871 227 V CB 2.179 32.860 31.823 -1.903 0.000 0.988 227 V HN 0.469 8.026 8.190 -1.055 0.000 0.432 228 Y N 5.137 125.029 120.300 -0.679 0.000 2.499 228 Y HA 0.581 5.054 4.550 -0.367 -0.144 0.347 228 Y C 0.281 175.898 175.900 -0.471 0.000 0.987 228 Y CA -2.264 55.455 58.100 -0.636 0.000 1.044 228 Y CB 3.762 41.573 38.460 -1.082 0.000 1.245 228 Y HN 1.037 8.935 8.280 -0.638 0.000 0.461 229 T N 4.922 119.445 114.554 -0.051 0.000 2.870 229 T HA -0.025 4.523 4.350 0.106 -0.134 0.300 229 T C -0.653 174.189 174.700 0.236 0.000 0.989 229 T CA 1.691 63.844 62.100 0.089 0.000 1.139 229 T CB 0.497 69.403 68.868 0.062 0.000 0.920 229 T HN 0.472 8.712 8.240 -0.001 0.000 0.537 230 K N 8.091 128.716 120.400 0.376 0.000 2.150 230 K HA 0.154 4.912 4.320 0.731 0.000 0.261 230 K C 1.061 177.926 176.600 0.442 0.000 1.127 230 K CA -0.725 55.865 56.287 0.505 0.000 0.989 230 K CB -0.379 32.371 32.500 0.416 0.000 1.475 230 K HN 0.172 8.528 8.250 0.342 0.099 0.391 231 V N 5.796 125.952 119.914 0.403 0.000 2.453 231 V HA -0.543 3.895 4.120 0.531 0.000 0.252 231 V C 1.357 177.622 176.094 0.285 0.000 1.068 231 V CA 3.921 66.447 62.300 0.376 0.000 1.070 231 V CB -0.310 31.657 31.823 0.240 0.000 0.664 231 V HN 0.217 8.652 8.190 0.410 0.000 0.461 232 c N -4.109 114.590 118.600 0.165 0.000 2.409 232 c HA -0.188 4.428 4.570 0.077 0.000 0.288 232 c C 1.435 175.543 174.090 0.029 0.000 1.395 232 c CA 1.335 57.709 56.329 0.076 0.000 1.792 232 c CB -2.127 40.396 42.510 0.022 0.000 1.847 232 c HN 0.464 8.770 8.230 0.164 0.022 0.534 233 N N 0.685 119.367 118.700 -0.029 0.000 2.467 233 N HA -0.049 4.591 4.740 -0.167 0.000 0.184 233 N C 0.206 175.466 175.510 -0.417 0.000 1.106 233 N CA 1.023 53.910 53.050 -0.271 0.000 0.892 233 N CB 0.045 38.234 38.487 -0.496 0.000 0.969 233 N HN -0.337 8.030 8.380 0.059 0.048 0.454 234 Y N -4.124 116.254 120.300 0.130 0.000 2.557 234 Y HA 0.166 4.872 4.550 0.260 0.000 0.247 234 Y C 0.405 176.450 175.900 0.241 0.000 1.164 234 Y CA -0.508 57.733 58.100 0.234 0.000 1.218 234 Y CB -0.066 38.568 38.460 0.290 0.000 1.210 234 Y HN -0.159 8.038 8.280 0.176 0.189 0.529 235 V N 1.180 121.233 119.914 0.232 0.000 2.332 235 V HA -0.540 3.669 4.120 0.149 0.000 0.248 235 V C 1.478 177.639 176.094 0.113 0.000 1.055 235 V CA 5.020 67.407 62.300 0.145 0.000 1.038 235 V CB -0.768 31.101 31.823 0.077 0.000 0.651 235 V HN -0.237 8.050 8.190 0.163 0.000 0.450 236 S N -0.032 115.739 115.700 0.119 0.000 2.368 236 S HA -0.336 4.156 4.470 0.036 0.000 0.225 236 S C 1.898 176.568 174.600 0.116 0.000 1.030 236 S CA 2.791 61.044 58.200 0.087 0.000 0.999 236 S CB -0.445 62.805 63.200 0.083 0.000 0.844 236 S HN -0.079 8.301 8.310 0.115 0.000 0.459 237 W N 4.252 125.590 121.300 0.062 0.000 2.358 237 W HA -0.150 4.525 4.660 0.026 0.000 0.303 237 W C 1.515 178.042 176.519 0.014 0.000 1.208 237 W CA 2.952 60.337 57.345 0.067 0.000 1.274 237 W CB -0.152 29.426 29.460 0.198 0.000 1.138 237 W HN -0.364 8.049 8.180 0.388 0.000 0.515 238 I N -0.691 119.822 120.570 -0.094 0.000 2.142 238 I HA -0.762 2.896 4.170 -0.852 0.000 0.240 238 I C 1.847 177.709 176.117 -0.425 0.000 1.078 238 I CA 4.596 65.650 61.300 -0.409 0.000 1.343 238 I CB -0.223 37.715 38.000 -0.104 0.000 1.046 238 I HN 0.314 8.676 8.210 0.254 0.000 0.405 239 K N -1.317 118.945 120.400 -0.231 0.000 2.063 239 K HA -0.488 3.682 4.320 -0.251 0.000 0.208 239 K C 2.861 179.311 176.600 -0.251 0.000 1.048 239 K CA 3.821 59.978 56.287 -0.217 0.000 0.928 239 K CB -0.292 32.142 32.500 -0.111 0.000 0.713 239 K HN -0.061 8.117 8.250 -0.120 0.000 0.442 240 Q N -2.056 117.609 119.800 -0.225 0.000 2.079 240 Q HA -0.276 3.975 4.340 -0.148 0.000 0.200 240 Q C 2.553 178.376 176.000 -0.294 0.000 0.974 240 Q CA 3.514 59.199 55.803 -0.197 0.000 0.840 240 Q CB 0.031 28.704 28.738 -0.108 0.000 0.898 240 Q HN 0.087 8.239 8.270 -0.186 0.006 0.430 241 T N 2.635 116.896 114.554 -0.489 0.000 2.737 241 T HA -0.280 3.848 4.350 -0.370 0.000 0.265 241 T C 2.438 176.775 174.700 -0.604 0.000 1.038 241 T CA 4.946 66.706 62.100 -0.566 0.000 1.144 241 T CB -0.228 68.061 68.868 -0.965 0.000 0.866 241 T HN 0.083 7.974 8.240 -0.582 0.000 0.434 242 I N -2.125 117.952 120.570 -0.822 0.000 2.493 242 I HA -0.198 3.048 4.170 -1.540 0.000 0.254 242 I C 1.304 177.162 176.117 -0.432 0.000 1.160 242 I CA 3.030 63.680 61.300 -1.082 0.000 1.445 242 I CB -0.648 36.496 38.000 -1.427 0.000 1.086 242 I HN 0.142 7.883 8.210 -0.781 0.000 0.433 243 A N -0.405 122.236 122.820 -0.299 0.000 2.119 243 A HA -0.106 4.163 4.320 -0.084 0.000 0.217 243 A C 0.599 178.141 177.584 -0.070 0.000 1.153 243 A CA 1.786 53.744 52.037 -0.131 0.000 0.692 243 A CB -0.268 18.665 19.000 -0.113 0.000 0.799 243 A HN -0.238 7.686 8.150 -0.347 0.018 0.458 244 S N -3.393 112.251 115.700 -0.094 0.000 2.557 244 S HA 0.146 4.608 4.470 -0.013 0.000 0.223 244 S C -0.860 173.753 174.600 0.022 0.000 0.969 244 S CA 0.527 58.707 58.200 -0.034 0.000 0.927 244 S CB 0.696 63.866 63.200 -0.050 0.000 0.806 244 S HN -0.511 7.541 8.310 -0.173 0.154 0.489 245 N N 0.000 118.748 118.700 0.079 0.000 1.763 245 N HA 0.000 4.828 4.740 0.146 0.000 0.220 245 N CA 0.000 53.181 53.050 0.219 0.000 0.885 245 N CB 0.000 38.681 38.487 0.324 0.000 1.341 245 N HN 0.000 8.242 8.380 0.046 0.165 0.667