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 2kty_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPRVKAAQAG RQSSAKRHLA EQFAVGEIIT DMAKKEWKVG LPIGQGGFGC DATA SEQUENCE IYLADMNSSE SVGSDAPCVV KVEPSDNGPL FTELKFYQRA AKPEQIQKWI DATA SEQUENCE RTRKLKYLGV PKYWGSGLHD KNGKSYRFMI MDRFGSDLQK IYEANAKRFS DATA SEQUENCE RKTVLQLSLR ILDILEYIHE HEYVHGDIKA SNLLLNYKNP DQVYLVDYGL DATA SEQUENCE AYRYCPEGVH KEYKEDPKRC HDGTIEFTSI DAHNGVAPSR RGDLEILGYC DATA SEQUENCE MIQWLTGHLP WEDNLKDPKY VRDSKIRYRE NIASLMDKCF PEKNKPGEIA DATA SEQUENCE KYMETVKLLD YTEKPLYENL RDILLQGLKA IGSKDDGKLD LSVVENGGLK DATA SEQUENCE AKTITKKRKK 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 1 M HA 0.000 4.482 4.480 0.003 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 P HA 0.112 4.535 4.420 0.004 0.000 0.273 2 P C -0.870 176.433 177.300 0.004 0.000 1.250 2 P CA -0.302 62.800 63.100 0.004 0.000 0.793 2 P CB 0.637 32.340 31.700 0.004 0.000 1.011 3 R N -0.314 120.189 120.500 0.005 0.000 2.569 3 R HA 0.337 4.680 4.340 0.005 0.000 0.293 3 R C -1.451 174.852 176.300 0.006 0.000 1.186 3 R CA -0.244 55.859 56.100 0.005 0.000 0.956 3 R CB 0.921 31.224 30.300 0.005 0.000 1.196 3 R HN 0.101 8.374 8.270 0.005 0.000 0.444 4 V N 1.890 121.808 119.914 0.006 0.000 2.962 4 V HA 0.296 4.420 4.120 0.007 0.000 0.313 4 V C -0.958 175.140 176.094 0.006 0.000 1.099 4 V CA -0.359 61.945 62.300 0.006 0.000 0.971 4 V CB 1.466 33.293 31.823 0.006 0.000 1.028 4 V HN 0.220 8.413 8.190 0.005 0.000 0.430 5 K N 4.062 124.467 120.400 0.007 0.000 2.653 5 K HA 0.179 4.504 4.320 0.007 0.000 0.274 5 K C -2.078 174.527 176.600 0.008 0.000 0.974 5 K CA 0.107 56.399 56.287 0.007 0.000 0.868 5 K CB 1.293 33.798 32.500 0.007 0.000 1.408 5 K HN 0.183 8.437 8.250 0.007 0.000 0.397 6 A N 0.911 123.737 122.820 0.009 0.000 2.490 6 A HA 0.913 5.239 4.320 0.010 0.000 0.292 6 A C -2.106 175.485 177.584 0.010 0.000 1.047 6 A CA 0.039 52.081 52.037 0.010 0.000 0.632 6 A CB 1.421 20.427 19.000 0.010 0.000 1.323 6 A HN 0.797 8.952 8.150 0.009 0.000 0.448 7 A N -0.541 122.286 122.820 0.012 0.000 2.490 7 A HA 0.815 5.142 4.320 0.012 0.000 0.292 7 A C -1.700 175.893 177.584 0.014 0.000 1.047 7 A CA 0.066 52.110 52.037 0.012 0.000 0.632 7 A CB 1.428 20.435 19.000 0.012 0.000 1.323 7 A HN 0.948 9.105 8.150 0.012 0.000 0.448 8 Q N -1.717 118.092 119.800 0.015 0.000 2.943 8 Q HA 0.606 4.957 4.340 0.018 0.000 0.305 8 Q C -1.604 174.406 176.000 0.017 0.000 0.873 8 Q CA 0.046 55.859 55.803 0.017 0.000 0.773 8 Q CB 2.424 31.172 28.738 0.018 0.000 1.501 8 Q HN 2.001 10.279 8.270 0.014 0.000 0.442 9 A N -0.761 122.071 122.820 0.020 0.000 2.456 9 A HA 0.921 5.253 4.320 0.020 0.000 0.294 9 A C -1.983 175.615 177.584 0.023 0.000 1.057 9 A CA 0.116 52.165 52.037 0.020 0.000 0.623 9 A CB 1.756 20.767 19.000 0.019 0.000 1.338 9 A HN 0.852 9.014 8.150 0.021 0.000 0.464 10 G N -1.192 107.622 108.800 0.024 0.000 2.368 10 G HA2 0.588 4.565 3.960 0.029 0.000 0.303 10 G HA3 0.588 4.566 3.960 0.030 0.000 0.303 10 G C -1.643 173.274 174.900 0.028 0.000 1.590 10 G CA -0.179 44.938 45.100 0.028 0.000 0.938 10 G HN 0.771 9.075 8.290 0.023 0.000 0.675 11 R N -0.577 119.941 120.500 0.031 0.000 2.780 11 R HA 0.617 4.976 4.340 0.031 0.000 0.280 11 R C -1.872 174.450 176.300 0.036 0.000 1.016 11 R CA -0.684 55.434 56.100 0.031 0.000 0.854 11 R CB 2.090 32.407 30.300 0.027 0.000 1.293 11 R HN 0.479 8.769 8.270 0.033 0.000 0.483 12 Q N 0.682 120.504 119.800 0.036 0.000 2.593 12 Q HA 0.287 4.652 4.340 0.041 0.000 0.242 12 Q C -2.146 173.878 176.000 0.040 0.000 0.944 12 Q CA -0.344 55.484 55.803 0.042 0.000 1.041 12 Q CB 2.385 31.153 28.738 0.050 0.000 1.588 12 Q HN 0.694 8.984 8.270 0.033 0.000 0.464 13 S N 2.869 118.592 115.700 0.039 0.000 2.599 13 S HA 0.842 5.333 4.470 0.034 0.000 0.287 13 S C -1.378 173.245 174.600 0.039 0.000 1.105 13 S CA -0.720 57.500 58.200 0.035 0.000 0.899 13 S CB 2.385 65.602 63.200 0.028 0.000 1.100 13 S HN 0.431 8.765 8.310 0.040 0.000 0.482 14 S N 0.442 116.162 115.700 0.034 0.000 2.597 14 S HA 0.603 5.095 4.470 0.038 0.000 0.274 14 S C -2.145 172.467 174.600 0.020 0.000 1.132 14 S CA -0.768 57.453 58.200 0.036 0.000 0.835 14 S CB 1.795 65.028 63.200 0.054 0.000 1.092 14 S HN 0.682 9.009 8.310 0.028 0.000 0.457 15 A N 1.931 124.761 122.820 0.016 0.000 2.569 15 A HA 0.388 4.695 4.320 -0.022 0.000 0.292 15 A C -2.000 175.584 177.584 -0.001 0.000 1.032 15 A CA 0.808 52.842 52.037 -0.005 0.000 0.669 15 A CB 1.225 20.221 19.000 -0.007 0.000 1.290 15 A HN 0.494 8.660 8.150 0.028 0.000 0.422 16 K N 1.064 121.451 120.400 -0.023 0.000 2.685 16 K HA 0.063 4.395 4.320 0.021 0.000 0.290 16 K C -1.720 174.859 176.600 -0.035 0.000 1.018 16 K CA 0.645 56.929 56.287 -0.005 0.000 0.860 16 K CB 1.932 34.440 32.500 0.013 0.000 1.498 16 K HN 0.043 8.264 8.250 -0.048 0.000 0.390 17 R N 2.397 122.894 120.500 -0.005 0.000 3.270 17 R HA 0.173 4.681 4.340 -0.066 -0.208 0.299 17 R C -1.727 174.533 176.300 -0.066 0.000 1.188 17 R CA 0.578 56.642 56.100 -0.060 0.000 1.090 17 R CB 0.039 30.274 30.300 -0.110 0.000 1.329 17 R HN 0.425 8.729 8.270 0.056 0.000 0.381 18 H N 2.905 121.963 119.070 -0.020 0.000 2.951 18 H HA 0.002 4.553 4.556 -0.008 0.000 0.292 18 H C -2.117 173.214 175.328 0.004 0.000 1.412 18 H CA 0.193 56.237 56.048 -0.005 0.000 1.206 18 H CB 3.464 33.227 29.762 0.002 0.000 1.862 18 H HN -0.119 8.188 8.280 0.046 0.000 0.502 19 L N 1.153 122.512 121.223 0.226 0.000 2.529 19 L HA -0.244 4.150 4.340 0.090 0.000 0.287 19 L C -0.118 176.813 176.870 0.102 0.000 1.241 19 L CA 1.797 56.710 54.840 0.122 0.000 0.857 19 L CB 0.017 42.138 42.059 0.104 0.000 1.113 19 L HN 0.124 8.567 8.230 0.354 0.000 0.504 20 A N 3.483 126.356 122.820 0.089 0.000 2.799 20 A HA -0.252 4.135 4.320 0.112 0.000 0.287 20 A C -1.064 176.590 177.584 0.116 0.000 1.484 20 A CA 1.182 53.279 52.037 0.099 0.000 0.813 20 A CB -0.718 18.327 19.000 0.076 0.000 1.009 20 A HN 0.712 8.911 8.150 0.081 0.000 0.545 21 E N -3.370 116.903 120.200 0.122 0.000 2.722 21 E HA -0.029 4.423 4.350 0.169 0.000 0.324 21 E C -2.369 174.274 176.600 0.072 0.000 1.060 21 E CA 0.264 56.740 56.400 0.127 0.000 0.902 21 E CB 0.931 30.698 29.700 0.112 0.000 1.302 21 E HN -0.278 8.124 8.360 0.108 0.022 0.401 22 Q N 0.344 120.172 119.800 0.048 0.000 3.051 22 Q HA 0.130 4.342 4.340 -0.214 0.000 0.235 22 Q C -1.449 174.477 176.000 -0.122 0.000 0.657 22 Q CA -0.058 55.685 55.803 -0.099 0.000 1.017 22 Q CB -0.294 28.404 28.738 -0.066 0.000 1.508 22 Q HN -0.199 8.147 8.270 0.126 0.000 0.357 23 F N -1.504 118.425 119.950 -0.034 0.000 2.490 23 F HA 0.214 4.703 4.527 -0.063 0.000 0.336 23 F C -1.294 174.449 175.800 -0.094 0.000 1.178 23 F CA -0.620 57.340 58.000 -0.066 0.000 1.301 23 F CB 1.013 39.967 39.000 -0.077 0.000 1.175 23 F HN -0.356 7.956 8.300 0.020 0.000 0.593 24 A N 1.769 124.635 122.820 0.077 0.000 2.483 24 A HA 0.034 4.301 4.320 -0.088 0.000 0.306 24 A C -2.340 175.221 177.584 -0.038 0.000 1.137 24 A CA -0.382 51.625 52.037 -0.050 0.000 0.626 24 A CB 1.639 20.565 19.000 -0.123 0.000 1.352 24 A HN 0.019 8.413 8.150 0.143 -0.159 0.508 25 V N 0.360 120.220 119.914 -0.090 0.000 2.788 25 V HA -0.538 3.522 4.120 -0.100 0.000 0.307 25 V C 1.103 177.163 176.094 -0.058 0.000 1.069 25 V CA 1.379 63.628 62.300 -0.086 0.000 1.173 25 V CB -0.255 31.516 31.823 -0.087 0.000 0.925 25 V HN -0.022 8.102 8.190 -0.110 0.000 0.492 26 G N 7.583 116.352 108.800 -0.052 0.000 2.195 26 G HA2 -0.383 3.592 3.960 -0.041 0.000 0.246 26 G HA3 -0.383 3.552 3.960 -0.042 0.000 0.246 26 G C -0.530 174.343 174.900 -0.045 0.000 0.984 26 G CA -0.383 44.691 45.100 -0.044 0.000 0.633 26 G HN 0.751 8.899 8.290 -0.054 0.109 0.525 27 E N 0.744 120.915 120.200 -0.048 0.000 2.437 27 E HA -0.085 4.233 4.350 -0.054 0.000 0.263 27 E C -0.783 175.762 176.600 -0.091 0.000 1.030 27 E CA 0.371 56.733 56.400 -0.063 0.000 0.934 27 E CB 0.857 30.523 29.700 -0.058 0.000 0.943 27 E HN -0.576 7.676 8.360 -0.044 0.081 0.444 28 I N 2.445 122.949 120.570 -0.110 0.000 2.312 28 I HA 0.100 4.396 4.170 -0.095 -0.183 0.290 28 I C -0.175 175.831 176.117 -0.185 0.000 1.008 28 I CA -1.243 59.983 61.300 -0.123 0.000 1.226 28 I CB 0.473 38.407 38.000 -0.109 0.000 1.371 28 I HN 0.092 8.240 8.210 -0.104 0.000 0.468 29 I N 6.375 126.826 120.570 -0.199 0.000 2.321 29 I HA 0.477 4.481 4.170 -0.277 0.000 0.291 29 I C -0.749 175.308 176.117 -0.099 0.000 0.998 29 I CA -1.551 59.593 61.300 -0.260 0.000 1.227 29 I CB 1.669 39.284 38.000 -0.643 0.000 1.368 29 I HN 0.921 8.938 8.210 -0.138 0.110 0.466 30 T N 7.678 122.248 114.554 0.027 0.000 2.761 30 T HA 0.327 4.827 4.350 -0.161 -0.247 0.296 30 T C 0.248 175.079 174.700 0.219 0.000 0.934 30 T CA -0.854 61.261 62.100 0.024 0.000 1.091 30 T CB 0.121 69.008 68.868 0.030 0.000 0.896 30 T HN 0.417 8.685 8.240 0.046 0.000 0.515 31 D N 5.199 125.668 120.400 0.114 0.000 2.478 31 D HA 0.138 5.060 4.640 0.340 -0.078 0.263 31 D C 1.178 177.556 176.300 0.130 0.000 1.153 31 D CA -1.787 52.367 54.000 0.256 0.000 1.038 31 D CB 1.560 42.636 40.800 0.461 0.000 1.120 31 D HN -0.329 7.964 8.370 -0.129 0.000 0.564 32 M N -1.706 117.974 119.600 0.133 0.000 2.446 32 M HA -0.272 4.244 4.480 0.060 0.000 0.263 32 M C 0.575 176.921 176.300 0.078 0.000 1.066 32 M CA 0.289 55.641 55.300 0.085 0.000 1.087 32 M CB -1.031 31.620 32.600 0.085 0.000 1.406 32 M HN 0.659 9.050 8.290 0.168 0.000 0.459 33 A N -4.125 118.757 122.820 0.103 0.000 2.278 33 A HA 0.032 4.394 4.320 0.070 0.000 0.212 33 A C -0.884 176.708 177.584 0.012 0.000 1.213 33 A CA -0.392 51.693 52.037 0.081 0.000 0.840 33 A CB -0.245 18.847 19.000 0.154 0.000 0.866 33 A HN 0.009 8.430 8.150 0.152 -0.180 0.489 34 K N -3.863 116.527 120.400 -0.016 0.000 3.150 34 K HA -0.437 3.851 4.320 -0.052 0.000 0.267 34 K C -1.453 175.056 176.600 -0.152 0.000 1.028 34 K CA 0.885 57.136 56.287 -0.061 0.000 0.753 34 K CB -2.174 30.306 32.500 -0.034 0.000 1.288 34 K HN -0.236 7.829 8.250 0.013 0.193 0.473 35 K N -1.791 118.435 120.400 -0.291 0.000 2.296 35 K HA 0.314 4.387 4.320 -0.411 0.000 0.243 35 K C -1.971 174.211 176.600 -0.696 0.000 1.082 35 K CA -1.110 54.829 56.287 -0.580 0.000 0.929 35 K CB 3.743 35.645 32.500 -0.997 0.000 1.353 35 K HN 0.034 8.450 8.250 -0.248 -0.315 0.536 36 E N -0.747 118.891 120.200 -0.937 0.000 2.409 36 E HA 0.233 4.417 4.350 -0.503 -0.136 0.259 36 E C -1.440 174.847 176.600 -0.521 0.000 0.932 36 E CA -0.456 55.582 56.400 -0.603 0.000 0.809 36 E CB 1.315 30.830 29.700 -0.308 0.000 1.341 36 E HN 0.095 7.765 8.360 -1.149 0.000 0.405 37 W N 4.386 125.643 121.300 -0.072 0.000 2.361 37 W HA 0.142 4.742 4.660 -0.102 0.000 0.309 37 W C -0.803 175.638 176.519 -0.130 0.000 1.122 37 W CA -1.907 55.375 57.345 -0.105 0.000 1.208 37 W CB 1.647 31.042 29.460 -0.109 0.000 1.246 37 W HN 0.683 8.615 8.180 -0.414 0.000 0.490 38 K N 4.901 125.380 120.400 0.131 0.000 2.234 38 K HA 0.455 4.996 4.320 -0.013 -0.229 0.282 38 K C -0.766 175.832 176.600 -0.003 0.000 1.039 38 K CA -0.694 55.606 56.287 0.021 0.000 0.928 38 K CB 1.941 34.442 32.500 0.003 0.000 1.039 38 K HN 0.447 8.808 8.250 0.184 0.000 0.470 39 V N 7.339 127.236 119.914 -0.029 0.000 2.530 39 V HA 0.231 4.509 4.120 -0.013 -0.165 0.282 39 V C -0.778 175.299 176.094 -0.028 0.000 1.048 39 V CA -0.431 61.857 62.300 -0.021 0.000 0.997 39 V CB 1.896 33.711 31.823 -0.014 0.000 0.987 39 V HN 0.218 8.383 8.190 -0.043 0.000 0.477 40 G N 6.450 115.238 108.800 -0.020 0.000 2.606 40 G HA2 0.366 4.300 3.960 -0.043 0.000 0.262 40 G HA3 0.366 4.299 3.960 -0.044 0.000 0.262 40 G C -1.445 173.443 174.900 -0.020 0.000 1.394 40 G CA -1.962 43.119 45.100 -0.033 0.000 1.044 40 G HN 0.158 8.294 8.290 -0.006 0.150 0.553 41 L N -0.333 120.878 121.223 -0.020 0.000 2.503 41 L HA 0.029 4.348 4.340 -0.035 0.000 0.287 41 L C -1.298 175.596 176.870 0.041 0.000 1.252 41 L CA 0.263 55.097 54.840 -0.010 0.000 0.835 41 L CB -0.389 41.668 42.059 -0.003 0.000 1.099 41 L HN 0.270 8.483 8.230 -0.029 0.000 0.516 42 P HA -0.016 4.604 4.420 0.333 0.000 0.272 42 P C -1.325 176.077 177.300 0.169 0.000 1.223 42 P CA 0.332 63.529 63.100 0.162 0.000 0.784 42 P CB 0.675 32.428 31.700 0.089 0.000 0.923 43 I N -2.512 118.192 120.570 0.222 0.000 3.814 43 I HA 0.213 4.455 4.170 0.120 0.000 0.264 43 I C 0.285 176.479 176.117 0.129 0.000 1.145 43 I CA -0.341 61.044 61.300 0.142 0.000 1.375 43 I CB 1.645 39.712 38.000 0.111 0.000 1.638 43 I HN 0.196 8.615 8.210 0.347 0.000 0.432 44 G N -1.924 106.949 108.800 0.123 0.000 2.225 44 G HA2 -0.320 3.826 3.960 0.089 0.000 0.254 44 G HA3 -0.320 3.705 3.960 0.109 0.000 0.254 44 G C -1.639 173.303 174.900 0.070 0.000 0.988 44 G CA 0.673 45.831 45.100 0.097 0.000 0.625 44 G HN 0.273 8.569 8.290 0.121 0.067 0.527 45 Q N -0.045 119.802 119.800 0.078 0.000 2.413 45 Q HA 0.228 4.607 4.340 0.066 0.000 0.276 45 Q C -0.582 175.485 176.000 0.112 0.000 1.099 45 Q CA -1.336 54.518 55.803 0.086 0.000 0.814 45 Q CB 2.687 31.484 28.738 0.099 0.000 1.379 45 Q HN -0.439 7.783 8.270 0.088 0.101 0.436 46 G N 1.185 110.066 108.800 0.135 0.000 2.797 46 G HA2 -0.169 3.986 3.960 0.324 0.000 0.192 46 G HA3 -0.169 3.909 3.960 0.196 0.000 0.192 46 G C -1.190 173.782 174.900 0.120 0.000 1.101 46 G CA -0.302 44.919 45.100 0.202 0.000 0.930 46 G HN 0.329 8.680 8.290 0.103 0.000 0.512 47 G N -0.985 107.880 108.800 0.109 0.000 2.725 47 G HA2 -0.212 3.818 3.960 0.116 0.000 0.100 47 G HA3 -0.212 3.828 3.960 0.133 0.000 0.100 47 G C -2.743 172.302 174.900 0.243 0.000 2.315 47 G CA 0.542 45.727 45.100 0.142 0.000 1.153 47 G HN -0.332 8.013 8.290 0.092 0.000 0.325 48 F N 1.477 121.447 119.950 0.033 0.000 2.939 48 F HA 0.173 4.732 4.527 0.053 0.000 0.327 48 F C -1.530 174.295 175.800 0.042 0.000 1.276 48 F CA -0.736 57.291 58.000 0.044 0.000 0.973 48 F CB 1.758 40.787 39.000 0.048 0.000 1.460 48 F HN -0.112 8.307 8.300 0.199 0.000 0.499 49 G N -2.021 106.851 108.800 0.119 0.000 2.712 49 G HA2 -0.256 3.988 3.960 0.064 0.000 0.686 49 G HA3 -0.256 3.772 3.960 0.113 0.000 0.686 49 G C -0.646 174.288 174.900 0.057 0.000 1.181 49 G CA -0.725 44.429 45.100 0.090 0.000 0.762 49 G HN -0.496 7.848 8.290 0.089 0.000 0.641 50 C N -0.805 118.517 119.300 0.035 0.000 4.533 50 C HA -0.486 4.038 4.460 0.107 0.000 0.304 50 C C -1.042 173.672 174.990 -0.461 0.000 1.316 50 C CA 0.064 59.057 59.018 -0.041 0.000 2.053 50 C CB -1.082 26.684 27.740 0.044 0.000 1.242 50 C HN 0.193 8.465 8.230 0.069 0.000 0.758 51 I N -2.308 118.094 120.570 -0.280 0.000 2.396 51 I HA 0.043 3.913 4.170 -0.500 0.000 0.292 51 I C -0.431 175.551 176.117 -0.226 0.000 0.999 51 I CA -1.778 59.319 61.300 -0.338 0.000 1.310 51 I CB 0.148 38.100 38.000 -0.081 0.000 1.404 51 I HN -0.530 7.584 8.210 -0.076 0.050 0.496 52 Y N 3.942 124.252 120.300 0.017 0.000 2.409 52 Y HA 0.374 5.020 4.550 -0.001 -0.097 0.343 52 Y C -0.027 175.842 175.900 -0.052 0.000 0.973 52 Y CA -2.587 55.505 58.100 -0.012 0.000 1.064 52 Y CB 1.523 39.973 38.460 -0.015 0.000 1.207 52 Y HN 0.440 8.499 8.280 -0.369 0.000 0.452 53 L N 1.937 123.213 121.223 0.089 0.000 2.453 53 L HA -0.246 4.045 4.340 -0.082 0.000 0.274 53 L C -0.326 176.508 176.870 -0.061 0.000 1.270 53 L CA 2.203 57.022 54.840 -0.035 0.000 0.822 53 L CB 0.732 42.755 42.059 -0.060 0.000 1.091 53 L HN 0.186 8.489 8.230 0.121 0.000 0.546 54 A N -2.572 120.160 122.820 -0.146 0.000 2.594 54 A HA 0.595 5.069 4.320 -0.092 -0.209 0.291 54 A C -2.034 175.426 177.584 -0.208 0.000 1.105 54 A CA -1.146 50.794 52.037 -0.162 0.000 0.694 54 A CB 3.337 22.200 19.000 -0.227 0.000 1.291 54 A HN 0.538 8.499 8.150 -0.193 0.074 0.410 55 D N -0.914 119.396 120.400 -0.150 0.000 2.718 55 D HA -0.280 4.334 4.640 -0.044 0.000 0.242 55 D C -0.320 175.911 176.300 -0.115 0.000 1.123 55 D CA 1.248 55.163 54.000 -0.142 0.000 0.690 55 D CB -0.827 39.797 40.800 -0.293 0.000 1.059 55 D HN -0.031 8.296 8.370 -0.072 0.000 0.429 56 M N -1.751 117.806 119.600 -0.072 0.000 2.066 56 M HA -0.354 4.075 4.480 -0.084 0.000 0.259 56 M C 0.146 176.413 176.300 -0.055 0.000 1.074 56 M CA 3.244 58.505 55.300 -0.066 0.000 1.114 56 M CB 0.076 32.647 32.600 -0.049 0.000 1.306 56 M HN -0.394 7.867 8.290 -0.048 0.000 0.411 57 N N -2.463 116.216 118.700 -0.034 0.000 2.322 57 N HA -0.009 4.713 4.740 -0.031 0.000 0.270 57 N C -1.290 174.204 175.510 -0.026 0.000 1.286 57 N CA 0.400 53.434 53.050 -0.027 0.000 0.948 57 N CB 0.787 39.265 38.487 -0.016 0.000 1.164 57 N HN -0.388 7.977 8.380 -0.025 0.000 0.551 58 S N -1.996 113.693 115.700 -0.019 0.000 2.532 58 S HA 0.332 4.788 4.470 -0.023 0.000 0.301 58 S C -0.430 174.169 174.600 -0.001 0.000 1.083 58 S CA -0.772 57.419 58.200 -0.016 0.000 1.025 58 S CB 2.227 65.415 63.200 -0.020 0.000 1.056 58 S HN 0.114 8.413 8.310 -0.017 0.000 0.494 59 S N 0.597 116.302 115.700 0.008 0.000 2.506 59 S HA 0.111 4.588 4.470 0.013 0.000 0.219 59 S C -0.406 174.202 174.600 0.013 0.000 1.031 59 S CA 1.121 59.332 58.200 0.018 0.000 0.911 59 S CB 0.646 63.873 63.200 0.045 0.000 0.812 59 S HN 0.237 8.549 8.310 0.004 0.000 0.497 60 E N 0.624 120.829 120.200 0.008 0.000 2.782 60 E HA 0.100 4.453 4.350 0.004 0.000 0.372 60 E C -1.937 174.665 176.600 0.003 0.000 0.944 60 E CA -0.101 56.303 56.400 0.007 0.000 0.749 60 E CB 0.992 30.700 29.700 0.013 0.000 1.453 60 E HN -0.285 8.077 8.360 0.004 0.000 0.402 61 S N 3.044 118.743 115.700 -0.001 0.000 3.385 61 S HA -0.227 4.241 4.470 -0.003 0.000 0.613 61 S C -1.472 173.122 174.600 -0.009 0.000 0.653 61 S CA 0.166 58.364 58.200 -0.003 0.000 1.401 61 S CB 0.324 63.526 63.200 0.002 0.000 1.031 61 S HN 0.135 8.444 8.310 -0.001 0.000 0.883 62 V N 3.525 123.430 119.914 -0.014 0.000 2.814 62 V HA -0.054 4.045 4.120 -0.033 0.000 0.307 62 V C 0.037 176.117 176.094 -0.023 0.000 1.089 62 V CA 0.368 62.653 62.300 -0.025 0.000 1.212 62 V CB 0.766 32.575 31.823 -0.024 0.000 0.912 62 V HN 0.022 8.205 8.190 -0.012 0.000 0.497 63 G N 5.796 114.573 108.800 -0.039 0.000 4.373 63 G HA2 0.122 4.075 3.960 -0.012 0.000 0.337 63 G HA3 0.122 4.061 3.960 -0.035 0.000 0.337 63 G C -1.380 173.498 174.900 -0.035 0.000 1.442 63 G CA -1.002 44.080 45.100 -0.030 0.000 1.150 63 G HN 0.268 8.524 8.290 -0.057 0.000 0.517 64 S N 0.338 116.027 115.700 -0.019 0.000 3.783 64 S HA -0.490 3.983 4.470 0.006 0.000 0.360 64 S C -1.265 173.305 174.600 -0.050 0.000 1.006 64 S CA 0.280 58.475 58.200 -0.009 0.000 1.115 64 S CB -0.099 63.115 63.200 0.023 0.000 0.893 64 S HN 0.089 8.392 8.310 -0.012 0.000 0.475 65 D N -3.952 116.412 120.400 -0.061 0.000 3.059 65 D HA -0.410 4.185 4.640 -0.074 0.000 0.220 65 D C -1.123 175.089 176.300 -0.147 0.000 1.169 65 D CA 1.383 55.328 54.000 -0.092 0.000 0.902 65 D CB -0.025 40.720 40.800 -0.091 0.000 1.116 65 D HN 0.111 8.455 8.370 -0.044 0.000 0.417 66 A N -6.609 116.121 122.820 -0.150 0.000 2.060 66 A HA -0.262 4.002 4.320 -0.211 -0.071 0.267 66 A C -2.178 175.230 177.584 -0.294 0.000 1.378 66 A CA 0.164 52.071 52.037 -0.217 0.000 0.733 66 A CB -0.932 17.941 19.000 -0.211 0.000 1.188 66 A HN -0.096 7.809 8.150 -0.112 0.178 0.311 67 P HA -0.028 4.099 4.420 -0.487 0.000 0.259 67 P C -1.884 175.178 177.300 -0.396 0.000 1.635 67 P CA 0.009 62.889 63.100 -0.367 0.000 1.199 67 P CB -1.748 29.816 31.700 -0.227 0.000 1.850 68 C N 0.415 119.448 119.300 -0.446 0.000 3.086 68 C HA 0.464 4.728 4.460 -0.512 -0.111 0.311 68 C C -1.584 173.170 174.990 -0.393 0.000 1.260 68 C CA -1.267 57.437 59.018 -0.524 0.000 1.426 68 C CB 4.780 32.054 27.740 -0.778 0.000 1.826 68 C HN 0.083 8.047 8.230 -0.404 0.024 0.474 69 V N -3.714 115.988 119.914 -0.352 0.000 3.182 69 V HA 0.446 4.433 4.120 -0.190 0.018 0.308 69 V C -2.896 173.101 176.094 -0.161 0.000 1.240 69 V CA -2.628 59.538 62.300 -0.224 0.000 1.063 69 V CB 3.541 35.251 31.823 -0.189 0.000 1.076 69 V HN 0.920 8.877 8.190 -0.389 0.000 0.446 70 V N 0.688 120.553 119.914 -0.083 0.000 2.612 70 V HA 0.701 5.045 4.120 0.031 -0.206 0.301 70 V C -2.321 173.758 176.094 -0.026 0.000 1.059 70 V CA -2.426 59.866 62.300 -0.013 0.000 0.886 70 V CB 3.793 35.608 31.823 -0.012 0.000 1.007 70 V HN 0.892 8.928 8.190 -0.069 0.112 0.426 71 K N 8.170 128.591 120.400 0.035 0.000 2.144 71 K HA 0.227 4.474 4.320 -0.122 0.000 0.270 71 K C -2.343 174.294 176.600 0.062 0.000 1.005 71 K CA -1.978 54.308 56.287 -0.001 0.000 0.932 71 K CB 1.541 34.080 32.500 0.065 0.000 1.021 71 K HN 0.830 9.138 8.250 0.096 0.000 0.462 72 V N 2.709 122.610 119.914 -0.021 0.000 2.540 72 V HA 0.362 4.758 4.120 0.229 -0.138 0.302 72 V C -1.532 174.640 176.094 0.131 0.000 1.035 72 V CA -1.059 61.298 62.300 0.096 0.000 0.873 72 V CB 2.531 34.366 31.823 0.020 0.000 0.992 72 V HN -0.057 8.054 8.190 -0.131 0.000 0.428 73 E N 8.285 128.588 120.200 0.170 0.000 2.336 73 E HA 0.512 4.930 4.350 0.113 0.000 0.267 73 E C -2.398 174.254 176.600 0.088 0.000 0.906 73 E CA -3.640 52.823 56.400 0.104 0.000 0.781 73 E CB 3.062 32.767 29.700 0.009 0.000 1.261 73 E HN 0.807 9.189 8.360 0.211 0.105 0.436 74 P HA 0.087 4.333 4.420 -0.291 0.000 0.272 74 P C -0.870 176.317 177.300 -0.189 0.000 1.230 74 P CA -0.935 62.082 63.100 -0.138 0.000 0.788 74 P CB 0.687 32.347 31.700 -0.066 0.000 0.949 75 S N 0.083 115.598 115.700 -0.308 0.000 2.962 75 S HA -0.168 4.273 4.470 -0.168 -0.072 0.320 75 S C -0.414 174.105 174.600 -0.135 0.000 1.186 75 S CA 1.258 59.331 58.200 -0.212 0.000 1.180 75 S CB -0.957 62.098 63.200 -0.241 0.000 1.491 75 S HN 0.146 8.168 8.310 -0.479 0.000 0.556 76 D N 5.799 126.136 120.400 -0.104 0.000 2.135 76 D HA 0.126 4.717 4.640 -0.083 0.000 0.318 76 D C -0.830 175.422 176.300 -0.081 0.000 1.109 76 D CA 0.624 54.572 54.000 -0.085 0.000 0.952 76 D CB 2.175 42.930 40.800 -0.075 0.000 1.816 76 D HN 0.151 8.445 8.370 -0.099 0.016 0.528 77 N N -3.021 115.640 118.700 -0.064 0.000 2.741 77 N HA -0.418 4.335 4.740 0.023 0.000 0.250 77 N C -0.092 175.404 175.510 -0.024 0.000 1.115 77 N CA 1.447 54.480 53.050 -0.028 0.000 0.724 77 N CB -1.353 37.090 38.487 -0.072 0.000 1.090 77 N HN -0.072 8.268 8.380 -0.067 0.000 0.558 78 G N 0.700 109.480 108.800 -0.033 0.000 2.682 78 G HA2 0.091 4.035 3.960 -0.027 0.000 0.221 78 G HA3 0.091 4.030 3.960 -0.034 0.000 0.221 78 G C -1.512 173.408 174.900 0.033 0.000 1.386 78 G CA 0.672 45.763 45.100 -0.015 0.000 0.909 78 G HN 0.342 8.571 8.290 -0.058 0.026 0.558 79 P HA -0.083 4.336 4.420 -0.003 0.000 0.216 79 P C 1.064 178.275 177.300 -0.148 0.000 1.153 79 P CA 1.967 64.996 63.100 -0.118 0.000 0.844 79 P CB -0.038 31.465 31.700 -0.327 0.000 0.787 80 L N -1.883 119.210 121.223 -0.216 0.000 2.131 80 L HA -0.236 4.000 4.340 -0.175 0.000 0.210 80 L C 1.827 178.694 176.870 -0.006 0.000 1.092 80 L CA 2.974 57.731 54.840 -0.138 0.000 0.759 80 L CB -0.560 41.425 42.059 -0.123 0.000 0.903 80 L HN -0.321 7.759 8.230 -0.249 0.000 0.435 81 F N -0.779 119.119 119.950 -0.087 0.000 2.075 81 F HA -0.477 4.017 4.527 -0.055 0.000 0.297 81 F C 1.202 176.985 175.800 -0.028 0.000 1.113 81 F CA 4.020 61.988 58.000 -0.054 0.000 1.218 81 F CB -0.151 38.819 39.000 -0.049 0.000 0.984 81 F HN -0.189 8.188 8.300 0.163 0.020 0.472 82 T N 1.905 116.455 114.554 -0.006 0.000 2.701 82 T HA -0.528 3.680 4.350 -0.237 0.000 0.263 82 T C 1.513 176.169 174.700 -0.073 0.000 1.040 82 T CA 5.476 67.529 62.100 -0.078 0.000 1.147 82 T CB -0.153 68.762 68.868 0.077 0.000 0.865 82 T HN -0.730 7.627 8.240 0.194 0.000 0.426 83 E N 2.114 122.315 120.200 0.001 0.000 2.038 83 E HA -0.369 4.057 4.350 0.128 0.000 0.195 83 E C 2.205 178.781 176.600 -0.040 0.000 1.000 83 E CA 3.155 59.581 56.400 0.044 0.000 0.803 83 E CB 0.058 29.828 29.700 0.116 0.000 0.750 83 E HN -0.348 8.023 8.360 0.018 0.000 0.448 84 L N -0.664 120.524 121.223 -0.058 0.000 2.083 84 L HA -0.294 4.104 4.340 0.096 0.000 0.209 84 L C 1.526 178.267 176.870 -0.214 0.000 1.083 84 L CA 3.066 57.864 54.840 -0.069 0.000 0.752 84 L CB -0.328 41.678 42.059 -0.088 0.000 0.899 84 L HN 0.257 8.334 8.230 -0.063 0.116 0.433 85 K N -0.284 119.937 120.400 -0.299 0.000 1.987 85 K HA -0.407 3.681 4.320 -0.388 0.000 0.216 85 K C 2.155 178.614 176.600 -0.236 0.000 1.051 85 K CA 3.661 59.736 56.287 -0.353 0.000 0.942 85 K CB -0.499 31.708 32.500 -0.487 0.000 0.722 85 K HN -0.274 7.704 8.250 -0.332 0.073 0.444 86 F N -0.649 119.152 119.950 -0.248 0.000 2.186 86 F HA -0.356 4.061 4.527 -0.184 0.000 0.299 86 F C 1.860 177.558 175.800 -0.169 0.000 1.090 86 F CA 3.715 61.610 58.000 -0.175 0.000 1.307 86 F CB 0.384 39.326 39.000 -0.097 0.000 1.019 86 F HN -0.463 7.857 8.300 0.034 0.000 0.489 87 Y N -0.257 119.900 120.300 -0.239 0.000 2.081 87 Y HA -0.508 3.800 4.550 -0.403 0.000 0.280 87 Y C 1.025 176.744 175.900 -0.302 0.000 1.163 87 Y CA 2.936 60.818 58.100 -0.363 0.000 1.135 87 Y CB -0.277 37.933 38.460 -0.416 0.000 0.970 87 Y HN 0.098 8.261 8.280 -0.023 0.103 0.498 88 Q N -2.968 116.404 119.800 -0.713 0.000 2.245 88 Q HA -0.170 3.495 4.340 -1.124 0.000 0.201 88 Q C 2.850 178.591 176.000 -0.432 0.000 0.955 88 Q CA 1.530 56.815 55.803 -0.864 0.000 0.870 88 Q CB 0.510 28.666 28.738 -0.971 0.000 0.945 88 Q HN 0.184 8.036 8.270 -0.511 0.111 0.461 89 R N 1.376 121.657 120.500 -0.366 0.000 2.115 89 R HA -0.226 3.953 4.340 -0.268 0.000 0.230 89 R C 0.753 176.907 176.300 -0.243 0.000 1.111 89 R CA 1.722 57.620 56.100 -0.336 0.000 0.976 89 R CB -0.134 29.864 30.300 -0.504 0.000 0.870 89 R HN -0.138 7.793 8.270 -0.373 0.115 0.445 90 A N -4.176 118.553 122.820 -0.152 0.000 2.500 90 A HA 0.181 4.616 4.320 0.191 0.000 0.267 90 A C -1.121 176.547 177.584 0.141 0.000 1.290 90 A CA -0.742 51.380 52.037 0.141 0.000 0.928 90 A CB 0.619 19.894 19.000 0.457 0.000 1.066 90 A HN -0.240 7.689 8.150 -0.182 0.112 0.516 91 A N -0.275 122.523 122.820 -0.036 0.000 2.276 91 A HA 0.114 4.436 4.320 0.004 0.000 0.316 91 A C -1.484 176.062 177.584 -0.063 0.000 1.229 91 A CA -0.146 51.848 52.037 -0.071 0.000 0.851 91 A CB 0.942 19.784 19.000 -0.264 0.000 1.165 91 A HN -0.859 7.012 8.150 -0.134 0.199 0.513 92 K N 2.014 122.373 120.400 -0.068 0.000 2.768 92 K HA 0.121 4.367 4.320 -0.124 0.000 0.288 92 K C -2.094 174.443 176.600 -0.105 0.000 1.128 92 K CA -0.918 55.319 56.287 -0.084 0.000 0.987 92 K CB 2.326 34.808 32.500 -0.030 0.000 1.377 92 K HN 0.038 8.247 8.250 -0.068 0.000 0.409 93 P HA -0.106 4.235 4.420 -0.132 0.000 0.215 93 P C 0.928 178.169 177.300 -0.097 0.000 1.157 93 P CA 2.092 65.120 63.100 -0.121 0.000 0.859 93 P CB 0.151 31.779 31.700 -0.119 0.000 0.786 94 E N -1.597 118.562 120.200 -0.068 0.000 2.046 94 E HA -0.269 4.051 4.350 -0.050 0.000 0.190 94 E C 2.280 178.862 176.600 -0.030 0.000 0.982 94 E CA 3.065 59.438 56.400 -0.045 0.000 0.800 94 E CB -1.197 28.488 29.700 -0.025 0.000 0.756 94 E HN 0.348 8.667 8.360 -0.068 0.000 0.449 95 Q N -0.116 119.682 119.800 -0.004 0.000 2.030 95 Q HA -0.243 4.149 4.340 0.087 0.000 0.204 95 Q C 2.152 178.199 176.000 0.078 0.000 0.986 95 Q CA 2.978 58.823 55.803 0.071 0.000 0.843 95 Q CB -0.612 28.186 28.738 0.101 0.000 0.904 95 Q HN 0.056 8.317 8.270 -0.015 0.000 0.420 96 I N -0.551 119.979 120.570 -0.067 0.000 2.099 96 I HA -0.569 3.190 4.170 -0.685 0.000 0.239 96 I C 2.086 177.840 176.117 -0.605 0.000 1.066 96 I CA 3.865 64.883 61.300 -0.470 0.000 1.324 96 I CB -0.259 37.460 38.000 -0.468 0.000 1.037 96 I HN -0.248 7.822 8.210 -0.056 0.106 0.401 97 Q N -1.883 117.715 119.800 -0.338 0.000 2.234 97 Q HA -0.352 3.797 4.340 -0.318 0.000 0.206 97 Q C 2.989 178.869 176.000 -0.199 0.000 0.980 97 Q CA 3.091 58.738 55.803 -0.260 0.000 0.869 97 Q CB -0.746 27.908 28.738 -0.140 0.000 0.912 97 Q HN -0.267 7.856 8.270 -0.246 0.000 0.436 98 K N 0.562 120.891 120.400 -0.120 0.000 1.973 98 K HA -0.203 4.103 4.320 -0.023 0.000 0.210 98 K C 2.275 178.888 176.600 0.022 0.000 1.045 98 K CA 2.945 59.221 56.287 -0.019 0.000 0.937 98 K CB -0.252 32.276 32.500 0.047 0.000 0.721 98 K HN 0.005 7.967 8.250 -0.110 0.222 0.438 99 W N 0.059 121.340 121.300 -0.030 0.000 2.388 99 W HA -0.229 4.427 4.660 -0.007 0.000 0.294 99 W C 2.078 178.575 176.519 -0.037 0.000 1.212 99 W CA 2.434 59.765 57.345 -0.023 0.000 1.271 99 W CB -0.472 28.980 29.460 -0.012 0.000 1.126 99 W HN -0.257 8.050 8.180 0.212 0.000 0.535 100 I N 0.516 120.517 120.570 -0.950 0.000 2.163 100 I HA -0.578 3.098 4.170 -0.822 0.000 0.243 100 I C 2.452 178.408 176.117 -0.269 0.000 1.085 100 I CA 3.192 64.010 61.300 -0.803 0.000 1.347 100 I CB -1.151 36.334 38.000 -0.860 0.000 1.044 100 I HN 0.687 8.156 8.210 -1.060 0.105 0.408 101 R N -2.489 117.895 120.500 -0.193 0.000 2.115 101 R HA -0.159 4.137 4.340 -0.073 0.000 0.226 101 R C 2.542 178.828 176.300 -0.023 0.000 1.100 101 R CA 2.836 58.886 56.100 -0.083 0.000 0.980 101 R CB -0.336 29.924 30.300 -0.068 0.000 0.875 101 R HN -0.135 7.877 8.270 -0.240 0.114 0.445 102 T N -0.538 114.021 114.554 0.008 0.000 2.995 102 T HA -0.129 4.242 4.350 0.035 0.000 0.269 102 T C 0.951 175.696 174.700 0.075 0.000 1.091 102 T CA 3.004 65.135 62.100 0.053 0.000 1.128 102 T CB 0.237 69.159 68.868 0.088 0.000 0.891 102 T HN -0.184 7.947 8.240 -0.008 0.104 0.492 103 R N -1.751 118.808 120.500 0.100 0.000 2.472 103 R HA 0.156 4.552 4.340 0.093 0.000 0.279 103 R C -1.137 175.203 176.300 0.067 0.000 0.953 103 R CA -1.283 54.886 56.100 0.116 0.000 1.088 103 R CB 0.791 31.230 30.300 0.232 0.000 1.197 103 R HN -0.428 7.752 8.270 0.082 0.139 0.536 104 K N -2.309 118.107 120.400 0.028 0.000 3.077 104 K HA -0.362 3.959 4.320 -0.007 -0.005 0.264 104 K C -1.170 175.440 176.600 0.016 0.000 1.008 104 K CA 0.288 56.582 56.287 0.011 0.000 0.740 104 K CB -1.879 30.633 32.500 0.020 0.000 1.273 104 K HN -0.478 7.591 8.250 0.016 0.191 0.477 105 L N -3.047 118.176 121.223 0.001 0.000 2.452 105 L HA -0.048 4.323 4.340 0.053 0.000 0.267 105 L C 1.724 178.601 176.870 0.013 0.000 1.188 105 L CA -0.135 54.717 54.840 0.020 0.000 0.821 105 L CB 0.473 42.543 42.059 0.018 0.000 1.102 105 L HN 0.118 8.211 8.230 -0.034 0.116 0.470 106 K N 4.802 125.232 120.400 0.050 0.000 3.006 106 K HA -0.076 4.281 4.320 0.062 0.000 0.265 106 K C -0.958 175.728 176.600 0.143 0.000 1.279 106 K CA -0.990 55.342 56.287 0.075 0.000 1.229 106 K CB -1.359 31.185 32.500 0.074 0.000 1.555 106 K HN -0.109 8.402 8.250 0.062 -0.224 0.300 107 Y N -1.342 118.912 120.300 -0.077 0.000 2.504 107 Y HA -0.444 4.015 4.550 -0.151 0.000 0.025 107 Y C -2.296 173.561 175.900 -0.071 0.000 1.699 107 Y CA 0.788 58.829 58.100 -0.098 0.000 1.421 107 Y CB 0.271 38.691 38.460 -0.067 0.000 2.066 107 Y HN -0.276 7.955 8.280 0.060 0.085 0.254 108 L N 1.970 122.723 121.223 -0.783 0.000 2.287 108 L HA 0.225 4.489 4.340 -0.126 0.000 0.287 108 L C 0.313 177.035 176.870 -0.247 0.000 1.022 108 L CA -0.666 53.928 54.840 -0.410 0.000 0.814 108 L CB 1.874 43.666 42.059 -0.445 0.000 1.217 108 L HN -0.003 7.166 8.230 -1.768 0.000 0.420 109 G N 6.965 115.794 108.800 0.049 0.000 3.455 109 G HA2 0.041 4.089 3.960 0.147 0.000 0.250 109 G HA3 0.041 4.067 3.960 0.110 0.000 0.250 109 G C -1.702 173.328 174.900 0.216 0.000 1.071 109 G CA 0.212 45.389 45.100 0.129 0.000 1.812 109 G HN 0.573 8.919 8.290 0.093 0.000 0.643 110 V N 1.984 122.048 119.914 0.250 0.000 2.823 110 V HA 0.276 4.610 4.120 0.357 0.000 0.312 110 V C -2.217 174.103 176.094 0.376 0.000 1.072 110 V CA -3.735 58.765 62.300 0.334 0.000 0.937 110 V CB 4.261 36.293 31.823 0.349 0.000 1.013 110 V HN -0.513 7.670 8.190 0.140 0.091 0.430 111 P HA 0.035 4.629 4.420 0.290 0.000 0.272 111 P C -1.873 175.636 177.300 0.349 0.000 1.230 111 P CA -0.614 62.693 63.100 0.344 0.000 0.788 111 P CB 0.967 32.861 31.700 0.323 0.000 0.949 112 K N 0.610 121.140 120.400 0.216 0.000 2.205 112 K HA 0.085 4.400 4.320 -0.008 0.000 0.279 112 K C -1.122 175.492 176.600 0.023 0.000 1.027 112 K CA -0.682 55.611 56.287 0.011 0.000 0.932 112 K CB 1.425 33.814 32.500 -0.185 0.000 1.032 112 K HN -0.224 8.325 8.250 0.174 -0.194 0.466 113 Y N 3.951 124.022 120.300 -0.382 0.000 2.457 113 Y HA 0.074 4.650 4.550 0.043 0.000 0.333 113 Y C -0.971 174.551 175.900 -0.629 0.000 1.119 113 Y CA -0.578 57.297 58.100 -0.375 0.000 1.143 113 Y CB 2.962 41.017 38.460 -0.675 0.000 1.230 113 Y HN 0.191 8.335 8.280 -0.228 0.000 0.469 114 W N 3.009 123.714 121.300 -0.991 0.000 4.084 114 W HA 0.209 4.533 4.660 -0.560 0.000 0.203 114 W C -0.791 175.136 176.519 -0.986 0.000 1.101 114 W CA 0.206 57.078 57.345 -0.789 0.000 1.673 114 W CB 2.427 31.568 29.460 -0.531 0.000 0.705 114 W HN -0.271 7.394 8.180 -0.859 0.000 0.897 115 G N -3.757 104.482 108.800 -0.936 0.000 2.356 115 G HA2 0.153 3.913 3.960 -0.333 0.000 0.294 115 G HA3 0.153 4.122 3.960 0.014 0.000 0.294 115 G C -3.457 171.564 174.900 0.201 0.000 1.423 115 G CA 0.451 45.362 45.100 -0.315 0.000 0.806 115 G HN -0.903 6.874 8.290 -0.855 0.000 0.527 116 S N -1.907 114.000 115.700 0.345 0.000 2.685 116 S HA 0.377 5.064 4.470 0.362 0.000 0.282 116 S C -1.977 172.682 174.600 0.099 0.000 1.159 116 S CA -0.971 57.399 58.200 0.283 0.000 0.833 116 S CB 3.802 67.140 63.200 0.230 0.000 1.151 116 S HN -0.166 8.323 8.310 0.299 0.000 0.485 117 G N -1.836 106.713 108.800 -0.417 0.000 2.523 117 G HA2 0.508 4.296 3.960 -0.286 0.000 0.291 117 G HA3 0.508 4.395 3.960 -0.363 -0.145 0.291 117 G C -3.797 170.127 174.900 -1.626 0.000 1.450 117 G CA 0.289 44.944 45.100 -0.743 0.000 0.790 117 G HN 0.252 8.189 8.290 -0.589 0.000 0.496 118 L N -0.514 120.316 121.223 -0.655 0.000 2.431 118 L HA 0.953 5.215 4.340 -0.415 -0.172 0.266 118 L C -2.104 174.891 176.870 0.208 0.000 0.978 118 L CA -1.282 53.399 54.840 -0.266 0.000 0.822 118 L CB 3.955 45.934 42.059 -0.133 0.000 1.310 118 L HN 0.292 8.364 8.230 -0.263 0.000 0.409 119 H N 6.503 125.746 119.070 0.289 0.000 2.595 119 H HA 0.303 4.981 4.556 0.203 0.000 0.313 119 H C -1.596 173.850 175.328 0.196 0.000 1.023 119 H CA -1.451 54.750 56.048 0.255 0.000 1.218 119 H CB 2.469 32.389 29.762 0.264 0.000 1.403 119 H HN 0.960 9.442 8.280 0.505 0.100 0.477 120 D N 8.131 128.429 120.400 -0.170 0.000 2.346 120 D HA -0.080 4.543 4.640 -0.027 0.000 0.260 120 D C -0.073 176.092 176.300 -0.225 0.000 1.252 120 D CA 0.345 54.264 54.000 -0.136 0.000 0.895 120 D CB 0.322 41.065 40.800 -0.094 0.000 1.097 120 D HN 0.519 8.803 8.370 -0.142 0.000 0.489 121 K N 7.677 128.066 120.400 -0.018 0.000 3.041 121 K HA 0.096 4.390 4.320 -0.044 0.000 0.243 121 K C -1.077 175.550 176.600 0.046 0.000 1.167 121 K CA -1.018 55.298 56.287 0.049 0.000 1.235 121 K CB -0.710 31.955 32.500 0.275 0.000 1.205 121 K HN 0.185 8.365 8.250 0.078 0.116 0.448 122 N N -1.164 117.532 118.700 -0.006 0.000 2.573 122 N HA -0.371 4.363 4.740 -0.008 0.000 0.280 122 N C -0.065 175.456 175.510 0.019 0.000 1.187 122 N CA 1.199 54.252 53.050 0.006 0.000 0.717 122 N CB -1.189 37.307 38.487 0.016 0.000 0.899 122 N HN -0.537 7.880 8.380 -0.049 -0.066 0.546 123 G N -0.950 107.853 108.800 0.005 0.000 2.238 123 G HA2 -0.369 3.587 3.960 -0.007 0.000 0.217 123 G HA3 -0.369 3.598 3.960 0.011 0.000 0.217 123 G C -1.390 173.504 174.900 -0.011 0.000 0.996 123 G CA -0.106 44.995 45.100 0.002 0.000 0.632 123 G HN -0.098 8.348 8.290 -0.006 -0.159 0.503 124 K N 0.724 121.123 120.400 -0.002 0.000 2.640 124 K HA 0.206 4.466 4.320 -0.100 0.000 0.245 124 K C -1.792 174.773 176.600 -0.058 0.000 0.962 124 K CA -0.789 55.460 56.287 -0.063 0.000 0.896 124 K CB 1.843 34.308 32.500 -0.059 0.000 1.147 124 K HN -0.206 7.984 8.250 0.025 0.075 0.445 125 S N 6.669 122.314 115.700 -0.092 0.000 2.405 125 S HA 0.069 4.676 4.470 0.028 -0.121 0.291 125 S C -1.113 173.449 174.600 -0.062 0.000 1.137 125 S CA 0.208 58.387 58.200 -0.035 0.000 1.061 125 S CB -0.223 62.954 63.200 -0.039 0.000 1.001 125 S HN 0.318 8.565 8.310 -0.105 0.000 0.507 126 Y N 6.130 126.463 120.300 0.054 0.000 2.486 126 Y HA 0.027 4.617 4.550 0.066 0.000 0.348 126 Y C -0.122 175.849 175.900 0.118 0.000 1.000 126 Y CA 1.124 59.282 58.100 0.097 0.000 1.253 126 Y CB 0.587 39.124 38.460 0.128 0.000 1.140 126 Y HN 0.485 8.964 8.280 0.331 0.000 0.526 127 R N 3.870 124.458 120.500 0.146 0.000 2.404 127 R HA 0.328 4.686 4.340 -0.154 -0.111 0.291 127 R C -1.471 174.904 176.300 0.126 0.000 1.025 127 R CA -0.457 55.645 56.100 0.004 0.000 0.991 127 R CB 2.405 32.681 30.300 -0.039 0.000 1.053 127 R HN -0.075 8.243 8.270 0.081 0.000 0.479 128 F N -1.651 118.372 119.950 0.122 0.000 2.626 128 F HA 1.029 5.742 4.527 0.090 -0.132 0.311 128 F C -2.414 173.472 175.800 0.143 0.000 1.088 128 F CA -2.474 55.593 58.000 0.112 0.000 0.949 128 F CB 3.440 42.501 39.000 0.101 0.000 1.322 128 F HN 0.899 8.777 8.300 -0.703 0.000 0.461 129 M N -1.520 118.322 119.600 0.403 0.000 2.433 129 M HA 0.319 5.049 4.480 0.417 0.000 0.290 129 M C -2.115 174.393 176.300 0.347 0.000 1.173 129 M CA -0.292 55.239 55.300 0.386 0.000 0.905 129 M CB 5.302 38.107 32.600 0.342 0.000 1.692 129 M HN 0.449 8.960 8.290 0.368 0.000 0.462 130 I N 2.525 123.294 120.570 0.333 0.000 2.385 130 I HA 0.643 5.045 4.170 0.065 -0.192 0.294 130 I C -1.092 175.204 176.117 0.298 0.000 0.988 130 I CA -0.689 60.697 61.300 0.143 0.000 1.265 130 I CB 1.743 39.673 38.000 -0.117 0.000 1.388 130 I HN 0.346 8.791 8.210 0.391 0.000 0.480 131 M N 2.780 122.469 119.600 0.149 0.000 3.079 131 M HA 0.803 5.808 4.480 0.609 -0.160 0.277 131 M C -1.556 174.723 176.300 -0.035 0.000 1.317 131 M CA -1.445 54.006 55.300 0.251 0.000 0.793 131 M CB 3.195 35.869 32.600 0.124 0.000 1.690 131 M HN 0.764 8.924 8.290 -0.033 0.110 0.451 132 D N 0.051 120.358 120.400 -0.154 0.000 2.346 132 D HA -0.102 4.496 4.640 -0.068 0.000 0.236 132 D C 0.264 176.026 176.300 -0.897 0.000 1.259 132 D CA 1.662 55.396 54.000 -0.443 0.000 0.898 132 D CB 0.807 41.304 40.800 -0.506 0.000 1.178 132 D HN -0.100 8.238 8.370 -0.054 0.000 0.457 133 R N -0.030 120.135 120.500 -0.557 0.000 2.210 133 R HA 0.038 4.137 4.340 -0.402 0.000 0.338 133 R C -1.190 175.098 176.300 -0.021 0.000 1.062 133 R CA 0.093 55.977 56.100 -0.361 0.000 0.902 133 R CB 0.126 30.216 30.300 -0.350 0.000 1.050 133 R HN 0.161 8.243 8.270 -0.312 0.000 0.461 134 F N 2.752 122.759 119.950 0.096 0.000 2.594 134 F HA 0.224 4.925 4.527 0.207 -0.050 0.335 134 F C -0.089 175.802 175.800 0.151 0.000 1.058 134 F CA -2.521 55.563 58.000 0.141 0.000 0.981 134 F CB 3.217 42.262 39.000 0.075 0.000 1.289 134 F HN -0.099 8.106 8.300 -0.158 0.000 0.490 135 G N -1.213 107.798 108.800 0.352 0.000 3.159 135 G HA2 0.113 4.192 3.960 0.197 0.000 0.185 135 G HA3 0.113 4.206 3.960 0.221 0.000 0.185 135 G C -1.253 173.731 174.900 0.139 0.000 1.523 135 G CA 0.798 46.029 45.100 0.219 0.000 0.752 135 G HN 0.000 8.499 8.290 0.348 0.000 0.964 136 S N 0.832 116.597 115.700 0.109 0.000 2.645 136 S HA -0.020 4.476 4.470 0.044 0.000 0.266 136 S C -1.716 172.899 174.600 0.026 0.000 1.258 136 S CA 1.132 59.359 58.200 0.044 0.000 0.990 136 S CB 0.781 63.981 63.200 0.000 0.000 0.967 136 S HN -0.701 7.691 8.310 0.136 0.000 0.556 137 D N -0.785 119.619 120.400 0.007 0.000 2.859 137 D HA 0.168 4.795 4.640 -0.022 0.000 0.223 137 D C -0.709 175.589 176.300 -0.003 0.000 1.218 137 D CA -0.232 53.769 54.000 0.001 0.000 0.850 137 D CB 2.518 43.338 40.800 0.033 0.000 1.656 137 D HN 0.045 8.419 8.370 0.006 0.000 0.484 138 L N 1.347 122.551 121.223 -0.031 0.000 2.291 138 L HA -0.136 4.156 4.340 -0.080 0.000 0.214 138 L C 0.974 177.943 176.870 0.165 0.000 1.120 138 L CA 2.313 57.132 54.840 -0.035 0.000 0.799 138 L CB 0.673 42.638 42.059 -0.156 0.000 0.925 138 L HN 0.771 8.870 8.230 -0.050 0.101 0.446 139 Q N -1.025 118.883 119.800 0.180 0.000 2.187 139 Q HA -0.270 4.404 4.340 0.557 0.000 0.199 139 Q C 1.213 177.404 176.000 0.318 0.000 0.957 139 Q CA 2.840 58.854 55.803 0.352 0.000 0.857 139 Q CB -0.655 28.206 28.738 0.206 0.000 0.929 139 Q HN -0.102 8.186 8.270 0.093 0.038 0.453 140 K N -0.435 120.055 120.400 0.150 0.000 2.099 140 K HA -0.062 4.265 4.320 0.012 0.000 0.203 140 K C 1.947 178.572 176.600 0.043 0.000 1.047 140 K CA 2.235 58.556 56.287 0.056 0.000 0.963 140 K CB -0.642 31.884 32.500 0.043 0.000 0.759 140 K HN -0.312 8.012 8.250 0.124 0.000 0.451 141 I N -0.498 120.131 120.570 0.097 0.000 2.151 141 I HA -0.493 3.865 4.170 0.076 -0.142 0.243 141 I C 1.619 177.878 176.117 0.238 0.000 1.080 141 I CA 4.497 65.872 61.300 0.125 0.000 1.339 141 I CB 0.198 38.242 38.000 0.075 0.000 1.039 141 I HN -0.146 8.120 8.210 0.093 0.000 0.409 142 Y N -1.285 119.176 120.300 0.269 0.000 2.352 142 Y HA -0.468 4.247 4.550 0.276 0.000 0.292 142 Y C 1.585 177.549 175.900 0.107 0.000 1.136 142 Y CA 3.268 61.529 58.100 0.268 0.000 1.227 142 Y CB -0.770 37.883 38.460 0.322 0.000 0.991 142 Y HN -0.700 7.866 8.280 0.477 0.000 0.545 143 E N 2.075 121.841 120.200 -0.724 0.000 2.047 143 E HA -0.324 3.382 4.350 -1.074 0.000 0.191 143 E C 1.324 177.751 176.600 -0.289 0.000 0.987 143 E CA 2.309 58.284 56.400 -0.708 0.000 0.799 143 E CB -0.993 28.445 29.700 -0.435 0.000 0.752 143 E HN -0.595 7.399 8.360 -0.370 0.144 0.449 144 A N -1.984 120.751 122.820 -0.143 0.000 2.021 144 A HA -0.065 4.212 4.320 -0.072 0.000 0.216 144 A C 1.709 179.272 177.584 -0.035 0.000 1.163 144 A CA 1.889 53.886 52.037 -0.065 0.000 0.676 144 A CB 0.055 19.039 19.000 -0.026 0.000 0.818 144 A HN -0.224 7.856 8.150 -0.116 0.000 0.453 145 N N -1.821 116.876 118.700 -0.006 0.000 2.336 145 N HA -0.007 4.746 4.740 0.020 0.000 0.189 145 N C -0.725 174.755 175.510 -0.050 0.000 1.113 145 N CA -0.979 52.085 53.050 0.023 0.000 0.858 145 N CB 0.539 39.123 38.487 0.163 0.000 0.970 145 N HN -0.073 8.208 8.380 0.003 0.101 0.471 146 A N -1.261 121.515 122.820 -0.074 0.000 2.560 146 A HA -0.430 3.886 4.320 -0.049 -0.026 0.299 146 A C -1.266 176.291 177.584 -0.045 0.000 1.484 146 A CA 0.843 52.854 52.037 -0.043 0.000 0.749 146 A CB -2.417 16.571 19.000 -0.021 0.000 1.072 146 A HN -0.645 7.252 8.150 -0.104 0.191 0.426 147 K N -8.333 112.028 120.400 -0.065 0.000 3.213 147 K HA -0.506 3.204 4.320 -1.018 0.000 0.266 147 K C -0.986 175.243 176.600 -0.618 0.000 0.911 147 K CA 1.106 57.154 56.287 -0.398 0.000 0.684 147 K CB -2.498 30.102 32.500 0.168 0.000 1.402 147 K HN 0.404 8.540 8.250 0.048 0.143 0.465 148 R N -1.623 118.493 120.500 -0.640 0.000 3.785 148 R HA 0.159 4.405 4.340 -0.155 0.000 0.255 148 R C -1.279 174.930 176.300 -0.152 0.000 1.485 148 R CA -0.824 55.114 56.100 -0.271 0.000 1.555 148 R CB -0.474 29.777 30.300 -0.082 0.000 1.362 148 R HN -0.681 7.131 8.270 -0.608 0.094 0.702 149 F N 1.127 121.136 119.950 0.098 0.000 2.440 149 F HA 0.246 4.782 4.527 0.015 0.000 0.328 149 F C -0.234 175.600 175.800 0.056 0.000 1.070 149 F CA -2.135 55.890 58.000 0.042 0.000 1.011 149 F CB 1.166 40.156 39.000 -0.016 0.000 1.226 149 F HN -0.638 7.385 8.300 -0.381 0.048 0.491 150 S N 1.171 117.004 115.700 0.221 0.000 2.661 150 S HA 0.148 4.676 4.470 0.096 0.000 0.265 150 S C 1.421 176.086 174.600 0.109 0.000 1.225 150 S CA -0.106 58.164 58.200 0.116 0.000 0.986 150 S CB 1.478 64.716 63.200 0.062 0.000 1.008 150 S HN 0.154 8.594 8.310 0.218 0.000 0.565 151 R N 1.607 122.142 120.500 0.058 0.000 2.092 151 R HA -0.281 4.107 4.340 0.081 0.000 0.231 151 R C 1.886 178.209 176.300 0.038 0.000 1.119 151 R CA 4.243 60.373 56.100 0.050 0.000 0.970 151 R CB -0.171 30.137 30.300 0.013 0.000 0.864 151 R HN 0.610 8.899 8.270 0.032 0.000 0.440 152 K N -2.604 117.807 120.400 0.018 0.000 2.063 152 K HA -0.330 3.987 4.320 -0.004 0.000 0.208 152 K C 1.639 178.229 176.600 -0.017 0.000 1.048 152 K CA 3.440 59.725 56.287 -0.003 0.000 0.928 152 K CB -1.255 31.236 32.500 -0.015 0.000 0.713 152 K HN 0.371 8.617 8.250 0.018 0.015 0.442 153 T N -0.457 114.087 114.554 -0.018 0.000 2.701 153 T HA -0.228 4.052 4.350 -0.117 0.000 0.263 153 T C 1.788 176.462 174.700 -0.044 0.000 1.040 153 T CA 3.646 65.699 62.100 -0.079 0.000 1.147 153 T CB -0.271 68.514 68.868 -0.138 0.000 0.865 153 T HN -0.421 7.825 8.240 0.009 0.000 0.426 154 V N 2.609 122.563 119.914 0.068 0.000 2.324 154 V HA -0.441 3.820 4.120 0.236 0.000 0.250 154 V C 1.950 178.106 176.094 0.103 0.000 1.060 154 V CA 4.128 66.531 62.300 0.172 0.000 1.042 154 V CB -1.057 30.918 31.823 0.253 0.000 0.650 154 V HN -0.568 7.683 8.190 0.101 0.000 0.450 155 L N -0.796 120.456 121.223 0.048 0.000 2.005 155 L HA -0.336 4.012 4.340 0.012 0.000 0.207 155 L C 2.035 178.911 176.870 0.008 0.000 1.072 155 L CA 3.159 58.011 54.840 0.019 0.000 0.744 155 L CB -1.506 40.560 42.059 0.011 0.000 0.895 155 L HN 0.273 8.523 8.230 0.045 0.007 0.433 156 Q N -1.253 118.539 119.800 -0.014 0.000 2.045 156 Q HA -0.419 3.909 4.340 -0.021 0.000 0.206 156 Q C 2.920 178.902 176.000 -0.031 0.000 0.991 156 Q CA 3.255 59.038 55.803 -0.034 0.000 0.851 156 Q CB -0.217 28.479 28.738 -0.070 0.000 0.911 156 Q HN -0.113 8.146 8.270 -0.018 0.000 0.418 157 L N -1.227 119.965 121.223 -0.051 0.000 1.989 157 L HA -0.302 3.991 4.340 -0.078 0.000 0.211 157 L C 2.207 179.105 176.870 0.047 0.000 1.071 157 L CA 2.797 57.608 54.840 -0.047 0.000 0.749 157 L CB -1.294 40.685 42.059 -0.133 0.000 0.890 157 L HN 0.451 8.640 8.230 -0.069 0.000 0.431 158 S N -0.695 115.058 115.700 0.089 0.000 2.365 158 S HA -0.387 4.163 4.470 0.133 0.000 0.225 158 S C 2.315 176.960 174.600 0.074 0.000 1.039 158 S CA 3.605 61.857 58.200 0.087 0.000 1.033 158 S CB -0.009 63.197 63.200 0.009 0.000 0.887 158 S HN -0.261 8.103 8.310 0.089 0.000 0.447 159 L N 1.190 122.447 121.223 0.057 0.000 1.989 159 L HA -0.458 3.938 4.340 0.094 0.000 0.211 159 L C 1.817 178.742 176.870 0.093 0.000 1.071 159 L CA 3.691 58.575 54.840 0.075 0.000 0.749 159 L CB -0.416 41.675 42.059 0.052 0.000 0.890 159 L HN 0.185 8.438 8.230 0.039 0.000 0.431 160 R N -1.517 119.026 120.500 0.072 0.000 2.082 160 R HA -0.310 4.091 4.340 0.103 0.000 0.234 160 R C 2.779 179.148 176.300 0.115 0.000 1.136 160 R CA 2.757 58.909 56.100 0.086 0.000 0.935 160 R CB -0.747 29.581 30.300 0.047 0.000 0.842 160 R HN -0.210 8.088 8.270 0.045 0.000 0.430 161 I N -0.839 119.796 120.570 0.108 0.000 2.248 161 I HA -0.395 3.851 4.170 0.126 0.000 0.248 161 I C 2.019 178.260 176.117 0.206 0.000 1.107 161 I CA 2.292 63.680 61.300 0.147 0.000 1.373 161 I CB -1.323 36.770 38.000 0.154 0.000 1.055 161 I HN 0.275 8.535 8.210 0.083 0.000 0.418 162 L N 0.787 122.121 121.223 0.185 0.000 1.994 162 L HA -0.549 3.925 4.340 0.225 0.000 0.208 162 L C 1.744 178.746 176.870 0.220 0.000 1.071 162 L CA 4.346 59.317 54.840 0.219 0.000 0.745 162 L CB -0.390 41.805 42.059 0.227 0.000 0.892 162 L HN 0.180 8.395 8.230 0.155 0.108 0.431 163 D N -0.832 119.676 120.400 0.179 0.000 2.106 163 D HA -0.401 4.298 4.640 0.099 0.000 0.191 163 D C 2.523 178.964 176.300 0.235 0.000 0.997 163 D CA 4.275 58.370 54.000 0.159 0.000 0.834 163 D CB -0.011 40.874 40.800 0.142 0.000 0.956 163 D HN -0.244 8.225 8.370 0.164 0.000 0.448 164 I N -0.119 120.611 120.570 0.267 0.000 2.226 164 I HA -0.377 4.079 4.170 0.477 0.000 0.245 164 I C 1.347 177.688 176.117 0.373 0.000 1.100 164 I CA 3.156 64.680 61.300 0.374 0.000 1.374 164 I CB 0.210 38.406 38.000 0.327 0.000 1.057 164 I HN -0.352 7.991 8.210 0.222 0.000 0.413 165 L N -0.299 121.109 121.223 0.308 0.000 2.127 165 L HA -0.448 3.996 4.340 0.173 0.000 0.211 165 L C 1.729 178.658 176.870 0.098 0.000 1.089 165 L CA 3.291 58.239 54.840 0.180 0.000 0.757 165 L CB -0.196 41.936 42.059 0.123 0.000 0.899 165 L HN 0.211 8.439 8.230 0.293 0.178 0.434 166 E N 0.017 120.310 120.200 0.155 0.000 2.033 166 E HA -0.307 4.112 4.350 0.114 0.000 0.189 166 E C 2.068 178.739 176.600 0.118 0.000 0.979 166 E CA 2.494 58.949 56.400 0.092 0.000 0.802 166 E CB -0.082 29.516 29.700 -0.170 0.000 0.763 166 E HN -0.202 8.147 8.360 0.188 0.124 0.449 167 Y N -0.080 120.263 120.300 0.073 0.000 2.241 167 Y HA -0.329 4.177 4.550 -0.073 0.000 0.286 167 Y C 1.545 177.541 175.900 0.161 0.000 1.166 167 Y CA 3.056 61.188 58.100 0.053 0.000 1.203 167 Y CB 0.012 38.570 38.460 0.164 0.000 0.977 167 Y HN -0.288 8.191 8.280 0.331 0.000 0.529 168 I N -7.594 112.973 120.570 -0.004 0.000 2.585 168 I HA -0.166 4.046 4.170 0.071 0.000 0.254 168 I C 1.269 177.334 176.117 -0.086 0.000 1.129 168 I CA 1.639 62.909 61.300 -0.049 0.000 1.455 168 I CB -0.039 37.849 38.000 -0.186 0.000 1.111 168 I HN -0.440 7.861 8.210 0.185 0.021 0.433 169 H N 2.531 121.488 119.070 -0.190 0.000 2.489 169 H HA -0.211 4.204 4.556 -0.236 0.000 0.293 169 H C 1.066 176.375 175.328 -0.032 0.000 1.066 169 H CA 3.030 58.965 56.048 -0.188 0.000 1.305 169 H CB 0.266 29.879 29.762 -0.247 0.000 1.386 169 H HN -0.217 7.896 8.280 0.031 0.185 0.551 170 E N -4.842 115.355 120.200 -0.006 0.000 2.476 170 E HA -0.068 4.277 4.350 -0.007 0.000 0.191 170 E C -0.672 175.829 176.600 -0.165 0.000 1.064 170 E CA 0.240 56.599 56.400 -0.068 0.000 0.866 170 E CB -0.009 29.626 29.700 -0.109 0.000 0.952 170 E HN -0.513 7.804 8.360 0.001 0.044 0.492 171 H N -1.500 117.549 119.070 -0.035 0.000 2.356 171 H HA 0.251 4.802 4.556 -0.010 0.000 0.306 171 H C -0.180 175.188 175.328 0.067 0.000 1.142 171 H CA 1.656 57.730 56.048 0.043 0.000 1.673 171 H CB 3.037 32.946 29.762 0.245 0.000 1.505 171 H HN -0.158 7.954 8.280 0.067 0.208 0.638 172 E N -5.237 115.129 120.200 0.277 0.000 3.180 172 E HA 0.090 4.474 4.350 0.057 0.000 0.144 172 E C -2.506 174.186 176.600 0.154 0.000 0.960 172 E CA 0.414 56.903 56.400 0.148 0.000 1.536 172 E CB 0.689 30.473 29.700 0.140 0.000 1.022 172 E HN -0.456 8.106 8.360 0.337 0.000 0.350 173 Y N -2.288 117.971 120.300 -0.068 0.000 2.521 173 Y HA 0.335 4.978 4.550 -0.102 -0.154 0.328 173 Y C -3.404 172.384 175.900 -0.186 0.000 1.151 173 Y CA -0.800 57.192 58.100 -0.179 0.000 1.054 173 Y CB 3.244 41.457 38.460 -0.411 0.000 1.338 173 Y HN -0.717 7.572 8.280 0.015 0.000 0.453 174 V N -1.054 118.572 119.914 -0.479 0.000 2.711 174 V HA 0.467 3.919 4.120 -1.113 0.000 0.304 174 V C -1.268 174.643 176.094 -0.305 0.000 1.097 174 V CA -2.315 59.603 62.300 -0.637 0.000 0.906 174 V CB 3.925 35.568 31.823 -0.299 0.000 1.015 174 V HN -0.240 8.035 8.190 0.008 -0.080 0.427 175 H N 4.995 123.924 119.070 -0.236 0.000 3.460 175 H HA 0.042 4.646 4.556 0.081 0.000 0.238 175 H C -0.133 175.202 175.328 0.011 0.000 1.752 175 H CA -1.060 54.975 56.048 -0.021 0.000 1.503 175 H CB -2.307 27.425 29.762 -0.051 0.000 1.830 175 H HN 0.426 8.092 8.280 -1.023 0.000 0.614 176 G N 0.836 109.671 108.800 0.058 0.000 2.507 176 G HA2 -0.396 3.579 3.960 0.025 0.000 0.221 176 G HA3 -0.396 3.607 3.960 0.073 0.000 0.221 176 G C -0.601 174.364 174.900 0.110 0.000 1.119 176 G CA 0.989 46.127 45.100 0.064 0.000 0.751 176 G HN -0.110 8.199 8.290 0.098 0.040 0.574 177 D N -0.953 119.524 120.400 0.129 0.000 2.494 177 D HA 0.009 4.742 4.640 0.155 0.000 0.217 177 D C -0.906 175.455 176.300 0.102 0.000 1.153 177 D CA -0.369 53.707 54.000 0.126 0.000 0.954 177 D CB -0.549 40.310 40.800 0.098 0.000 1.034 177 D HN -0.264 8.157 8.370 0.134 0.030 0.518 178 I N 2.417 123.044 120.570 0.096 0.000 3.444 178 I HA -0.179 4.054 4.170 0.105 0.000 0.287 178 I C -0.810 175.140 176.117 -0.278 0.000 1.302 178 I CA -0.127 61.186 61.300 0.022 0.000 1.368 178 I CB 0.555 38.606 38.000 0.086 0.000 1.048 178 I HN -0.795 7.506 8.210 0.151 0.000 0.487 179 K N -0.060 120.041 120.400 -0.498 0.000 2.600 179 K HA -0.263 2.652 4.320 -2.341 0.000 0.280 179 K C 0.867 177.226 176.600 -0.402 0.000 0.971 179 K CA 1.057 56.806 56.287 -0.896 0.000 1.053 179 K CB 0.840 33.177 32.500 -0.271 0.000 0.856 179 K HN -0.681 7.360 8.250 -0.207 0.085 0.495 180 A N 4.505 127.128 122.820 -0.329 0.000 2.131 180 A HA -0.239 4.048 4.320 -0.056 0.000 0.220 180 A C 1.942 179.500 177.584 -0.043 0.000 1.158 180 A CA 2.776 54.765 52.037 -0.081 0.000 0.665 180 A CB -0.432 18.573 19.000 0.008 0.000 0.795 180 A HN 0.530 8.358 8.150 -0.536 0.000 0.460 181 S N -2.531 113.147 115.700 -0.037 0.000 2.419 181 S HA -0.320 4.166 4.470 0.026 0.000 0.235 181 S C 0.673 175.250 174.600 -0.039 0.000 1.019 181 S CA 2.358 60.554 58.200 -0.006 0.000 0.982 181 S CB -0.388 62.817 63.200 0.009 0.000 0.789 181 S HN 0.123 8.329 8.310 -0.075 0.058 0.490 182 N N -0.736 117.929 118.700 -0.057 0.000 2.353 182 N HA 0.098 5.075 4.740 -0.045 -0.264 0.185 182 N C -1.372 174.103 175.510 -0.059 0.000 1.098 182 N CA -0.359 52.660 53.050 -0.053 0.000 0.872 182 N CB 0.430 38.886 38.487 -0.052 0.000 0.970 182 N HN -0.198 7.990 8.380 -0.076 0.147 0.467 183 L N 0.431 121.609 121.223 -0.074 0.000 2.265 183 L HA 0.171 4.451 4.340 -0.099 0.000 0.289 183 L C -1.755 175.053 176.870 -0.104 0.000 1.033 183 L CA 0.253 55.032 54.840 -0.102 0.000 0.814 183 L CB 1.182 43.158 42.059 -0.138 0.000 1.203 183 L HN -0.108 7.867 8.230 -0.070 0.212 0.423 184 L N 2.744 123.893 121.223 -0.123 0.000 2.354 184 L HA 0.436 4.720 4.340 -0.094 0.000 0.264 184 L C -1.783 174.975 176.870 -0.186 0.000 1.008 184 L CA -1.763 52.996 54.840 -0.134 0.000 0.819 184 L CB 3.322 45.305 42.059 -0.127 0.000 1.339 184 L HN 0.818 8.973 8.230 -0.125 0.000 0.420 185 L N -2.544 118.603 121.223 -0.127 0.000 2.299 185 L HA 0.587 4.988 4.340 -0.146 -0.149 0.268 185 L C 0.299 177.219 176.870 0.084 0.000 1.012 185 L CA -1.984 52.807 54.840 -0.082 0.000 0.816 185 L CB 2.023 44.022 42.059 -0.100 0.000 1.355 185 L HN -0.414 7.652 8.230 -0.076 0.118 0.457 186 N N -1.413 117.431 118.700 0.240 0.000 2.415 186 N HA -0.138 5.177 4.740 0.794 -0.098 0.248 186 N C 2.207 177.866 175.510 0.247 0.000 1.271 186 N CA 0.861 54.171 53.050 0.433 0.000 0.913 186 N CB 0.943 39.630 38.487 0.334 0.000 1.129 186 N HN -0.447 8.015 8.380 0.137 0.000 0.444 187 Y N 1.728 122.183 120.300 0.259 0.000 2.228 187 Y HA -0.271 4.399 4.550 0.154 -0.027 0.285 187 Y C 0.374 176.333 175.900 0.099 0.000 1.178 187 Y CA 2.262 60.451 58.100 0.150 0.000 1.202 187 Y CB -0.077 38.441 38.460 0.096 0.000 0.974 187 Y HN 0.061 8.721 8.280 0.774 0.085 0.527 188 K N -2.920 116.997 120.400 -0.805 0.000 3.017 188 K HA 0.051 4.208 4.320 -0.271 0.000 0.178 188 K C -1.902 174.436 176.600 -0.436 0.000 1.103 188 K CA -0.153 55.790 56.287 -0.573 0.000 1.084 188 K CB -0.309 31.825 32.500 -0.610 0.000 0.711 188 K HN -0.074 7.501 8.250 -1.083 0.025 0.416 189 N N 0.155 118.681 118.700 -0.290 0.000 2.617 189 N HA 0.456 5.102 4.740 -0.155 0.000 0.263 189 N C -1.287 174.164 175.510 -0.099 0.000 1.074 189 N CA -2.548 50.412 53.050 -0.151 0.000 0.841 189 N CB 1.458 39.906 38.487 -0.065 0.000 1.221 189 N HN -0.803 7.318 8.380 -0.233 0.119 0.529 190 P HA -0.001 4.337 4.420 -0.136 0.000 0.223 190 P C -0.829 176.381 177.300 -0.149 0.000 1.151 190 P CA 1.194 64.217 63.100 -0.129 0.000 0.787 190 P CB 0.330 31.959 31.700 -0.117 0.000 0.788 191 D N -1.980 118.342 120.400 -0.129 0.000 3.038 191 D HA -0.038 4.507 4.640 -0.159 0.000 0.243 191 D C -1.112 175.084 176.300 -0.174 0.000 1.245 191 D CA -0.634 53.280 54.000 -0.143 0.000 0.871 191 D CB -2.072 38.660 40.800 -0.113 0.000 1.089 191 D HN 0.067 8.329 8.370 -0.108 0.043 0.464 192 Q N -1.609 118.051 119.800 -0.234 0.000 2.686 192 Q HA 0.041 4.136 4.340 -0.409 0.000 0.222 192 Q C -2.600 172.995 176.000 -0.674 0.000 0.777 192 Q CA 0.189 55.751 55.803 -0.401 0.000 1.018 192 Q CB 3.059 31.687 28.738 -0.183 0.000 1.563 192 Q HN -0.661 7.374 8.270 -0.227 0.100 0.479 193 V N 4.205 123.713 119.914 -0.677 0.000 2.370 193 V HA 0.307 4.236 4.120 -0.522 -0.123 0.283 193 V C -2.368 173.332 176.094 -0.657 0.000 1.023 193 V CA -1.429 60.519 62.300 -0.586 0.000 0.857 193 V CB 2.061 33.675 31.823 -0.348 0.000 0.985 193 V HN 0.004 7.881 8.190 -0.522 0.000 0.443 194 Y N 6.037 126.202 120.300 -0.225 0.000 2.393 194 Y HA 0.367 4.891 4.550 -0.043 0.000 0.341 194 Y C -1.698 174.109 175.900 -0.156 0.000 0.988 194 Y CA -2.816 55.179 58.100 -0.176 0.000 1.078 194 Y CB 2.397 40.674 38.460 -0.305 0.000 1.203 194 Y HN 0.835 8.915 8.280 -0.333 0.000 0.453 195 L N 4.061 125.346 121.223 0.103 0.000 2.255 195 L HA 0.671 5.186 4.340 -0.009 -0.180 0.289 195 L C -0.857 176.127 176.870 0.191 0.000 1.046 195 L CA -0.764 54.113 54.840 0.062 0.000 0.816 195 L CB 0.850 42.894 42.059 -0.024 0.000 1.197 195 L HN 0.055 8.385 8.230 0.166 0.000 0.427 196 V N 2.307 122.298 119.914 0.129 0.000 3.352 196 V HA 0.519 4.799 4.120 0.267 0.000 0.299 196 V C -0.599 175.617 176.094 0.203 0.000 1.228 196 V CA -2.355 60.054 62.300 0.182 0.000 1.017 196 V CB 2.692 34.568 31.823 0.089 0.000 1.237 196 V HN 0.347 8.565 8.190 0.048 0.000 0.472 197 D N -3.755 116.759 120.400 0.191 0.000 2.872 197 D HA -0.319 4.542 4.640 0.181 -0.112 0.248 197 D C 0.082 176.568 176.300 0.310 0.000 1.104 197 D CA 1.373 55.465 54.000 0.153 0.000 0.784 197 D CB -2.928 37.829 40.800 -0.071 0.000 1.036 197 D HN -0.028 8.493 8.370 0.156 -0.057 0.426 198 Y N -0.444 119.932 120.300 0.126 0.000 2.632 198 Y HA -0.167 4.431 4.550 0.080 0.000 0.301 198 Y C 1.444 177.403 175.900 0.098 0.000 1.172 198 Y CA 0.449 58.579 58.100 0.050 0.000 1.328 198 Y CB -0.914 37.485 38.460 -0.102 0.000 1.016 198 Y HN 0.307 9.218 8.280 0.525 -0.315 0.529 199 G N -0.633 108.411 108.800 0.406 0.000 2.499 199 G HA2 -0.342 3.773 3.960 0.258 0.000 0.221 199 G HA3 -0.342 4.121 3.960 0.615 -0.133 0.221 199 G C -0.035 175.013 174.900 0.247 0.000 1.109 199 G CA 1.802 47.127 45.100 0.374 0.000 0.749 199 G HN -0.068 8.459 8.290 0.544 0.089 0.568 200 L N -1.421 119.925 121.223 0.205 0.000 2.653 200 L HA 0.094 4.519 4.340 0.141 0.000 0.232 200 L C -0.477 176.510 176.870 0.195 0.000 1.169 200 L CA -1.373 53.563 54.840 0.161 0.000 0.951 200 L CB -1.185 40.951 42.059 0.129 0.000 1.181 200 L HN -0.900 7.405 8.230 0.210 0.051 0.460 201 A N -0.301 122.633 122.820 0.190 0.000 2.524 201 A HA -0.189 4.429 4.320 0.498 0.000 0.250 201 A C -1.511 176.272 177.584 0.332 0.000 1.078 201 A CA 0.461 52.664 52.037 0.278 0.000 0.761 201 A CB 0.361 19.337 19.000 -0.040 0.000 1.012 201 A HN -0.418 7.627 8.150 0.148 0.194 0.500 202 Y N 7.246 127.655 120.300 0.181 0.000 2.345 202 Y HA 0.141 4.751 4.550 0.100 0.000 0.331 202 Y C -0.772 175.197 175.900 0.116 0.000 0.959 202 Y CA -2.218 55.950 58.100 0.113 0.000 1.204 202 Y CB 2.970 41.479 38.460 0.082 0.000 1.135 202 Y HN -0.465 8.064 8.280 0.414 0.000 0.477 203 R N 8.651 129.050 120.500 -0.169 0.000 2.638 203 R HA -0.275 4.303 4.340 -0.037 -0.261 0.351 203 R C -1.389 174.716 176.300 -0.325 0.000 0.871 203 R CA 0.644 56.629 56.100 -0.193 0.000 1.091 203 R CB -1.221 28.978 30.300 -0.169 0.000 0.900 203 R HN 0.286 8.521 8.270 -0.058 0.000 0.405 204 Y N 5.445 125.584 120.300 -0.268 0.000 2.060 204 Y HA -0.305 4.100 4.550 -0.241 0.000 0.276 204 Y C -0.901 174.878 175.900 -0.203 0.000 1.127 204 Y CA 1.752 59.703 58.100 -0.248 0.000 1.104 204 Y CB 0.506 38.787 38.460 -0.298 0.000 0.983 204 Y HN -0.432 7.861 8.280 0.021 0.000 0.483 205 C N -6.129 112.715 119.300 -0.761 0.000 2.379 205 C HA 0.467 4.544 4.460 -0.639 0.000 0.323 205 C C -2.095 172.691 174.990 -0.340 0.000 1.262 205 C CA -5.164 53.419 59.018 -0.725 0.000 1.581 205 C CB 1.116 28.293 27.740 -0.939 0.000 2.221 205 C HN -0.389 7.551 8.230 -0.483 0.000 0.497 206 P HA 0.001 4.342 4.420 -0.131 0.000 0.271 206 P C -0.331 176.895 177.300 -0.123 0.000 1.220 206 P CA 0.470 63.476 63.100 -0.156 0.000 0.768 206 P CB 0.249 31.867 31.700 -0.136 0.000 0.848 207 E N 0.531 120.683 120.200 -0.080 0.000 3.065 207 E HA -0.529 3.800 4.350 -0.035 0.000 0.277 207 E C -0.372 176.193 176.600 -0.059 0.000 1.008 207 E CA 1.077 57.444 56.400 -0.055 0.000 0.864 207 E CB -1.753 27.915 29.700 -0.053 0.000 1.439 207 E HN 0.717 9.036 8.360 -0.067 0.000 0.445 208 G N -3.529 105.221 108.800 -0.083 0.000 2.176 208 G HA2 -0.419 3.532 3.960 -0.092 0.000 0.253 208 G HA3 -0.419 3.512 3.960 -0.049 0.000 0.253 208 G C -0.801 174.040 174.900 -0.098 0.000 0.979 208 G CA 0.302 45.352 45.100 -0.082 0.000 0.641 208 G HN -0.269 7.897 8.290 -0.105 0.062 0.530 209 V N 2.016 121.865 119.914 -0.109 0.000 2.347 209 V HA 0.229 4.358 4.120 0.015 0.000 0.280 209 V C -0.825 175.178 176.094 -0.153 0.000 1.021 209 V CA -2.078 60.179 62.300 -0.071 0.000 0.847 209 V CB 0.970 32.749 31.823 -0.074 0.000 0.990 209 V HN -0.287 7.636 8.190 -0.117 0.197 0.444 210 H N 6.401 125.313 119.070 -0.263 0.000 2.964 210 H HA -0.099 4.133 4.556 -0.541 0.000 0.368 210 H C -1.067 174.159 175.328 -0.170 0.000 1.212 210 H CA 0.011 55.873 56.048 -0.310 0.000 1.421 210 H CB 0.511 30.171 29.762 -0.169 0.000 1.385 210 H HN 0.239 8.674 8.280 0.258 0.000 0.614 211 K N -0.398 119.858 120.400 -0.241 0.000 2.523 211 K HA 0.040 4.147 4.320 -0.354 0.000 0.257 211 K C -1.160 175.404 176.600 -0.061 0.000 0.932 211 K CA -1.286 54.865 56.287 -0.226 0.000 0.812 211 K CB 1.745 34.140 32.500 -0.174 0.000 1.326 211 K HN -0.167 8.023 8.250 -0.100 0.000 0.433 212 E N 2.089 122.254 120.200 -0.058 0.000 2.459 212 E HA -0.211 4.252 4.350 0.188 0.000 0.264 212 E C -0.110 176.505 176.600 0.025 0.000 1.055 212 E CA 0.295 56.715 56.400 0.033 0.000 0.957 212 E CB 0.388 30.038 29.700 -0.083 0.000 0.952 212 E HN 0.126 8.410 8.360 -0.125 0.000 0.448 213 Y N 0.303 120.693 120.300 0.150 0.000 2.815 213 Y HA -0.236 4.392 4.550 0.130 0.000 0.346 213 Y C 0.415 176.360 175.900 0.075 0.000 1.267 213 Y CA 0.088 58.270 58.100 0.135 0.000 1.604 213 Y CB -0.451 38.122 38.460 0.189 0.000 1.218 213 Y HN 0.368 9.022 8.280 0.623 0.000 0.527 214 K N 2.712 123.137 120.400 0.041 0.000 3.496 214 K HA -0.027 4.305 4.320 0.020 0.000 0.135 214 K C -0.497 176.114 176.600 0.017 0.000 1.127 214 K CA 0.477 56.751 56.287 -0.022 0.000 0.813 214 K CB 0.393 32.804 32.500 -0.149 0.000 0.831 214 K HN 0.022 8.340 8.250 0.112 0.000 0.389 215 E N 1.007 121.252 120.200 0.076 0.000 2.033 215 E HA -0.056 4.319 4.350 0.042 0.000 0.194 215 E C -0.147 176.513 176.600 0.101 0.000 0.960 215 E CA 1.084 57.535 56.400 0.085 0.000 0.842 215 E CB 0.477 30.259 29.700 0.136 0.000 0.816 215 E HN 0.008 8.440 8.360 0.120 0.000 0.468 216 D N 0.481 120.966 120.400 0.141 0.000 2.485 216 D HA 0.416 5.113 4.640 0.096 0.000 0.229 216 D C -0.528 175.818 176.300 0.077 0.000 1.101 216 D CA -2.335 51.734 54.000 0.114 0.000 0.906 216 D CB 1.019 41.902 40.800 0.139 0.000 1.019 216 D HN -0.574 7.799 8.370 0.180 0.104 0.516 217 P HA -0.042 4.400 4.420 0.037 0.000 0.234 217 P C -0.435 176.874 177.300 0.015 0.000 1.167 217 P CA 0.750 63.869 63.100 0.033 0.000 0.763 217 P CB 0.363 32.078 31.700 0.024 0.000 0.835 218 K N -1.666 118.751 120.400 0.027 0.000 2.576 218 K HA 0.102 4.422 4.320 -0.001 0.000 0.209 218 K C -0.853 175.762 176.600 0.026 0.000 1.049 218 K CA -1.618 54.680 56.287 0.018 0.000 1.140 218 K CB -0.357 32.161 32.500 0.030 0.000 0.871 218 K HN -0.275 7.930 8.250 0.045 0.072 0.479 219 R N -2.679 117.829 120.500 0.012 0.000 2.127 219 R HA -0.329 4.037 4.340 -0.019 -0.037 0.352 219 R C 0.830 177.224 176.300 0.156 0.000 1.151 219 R CA 0.996 57.109 56.100 0.023 0.000 0.994 219 R CB -2.652 27.633 30.300 -0.026 0.000 2.901 219 R HN -0.390 7.797 8.270 0.002 0.084 0.493 220 C N 1.183 120.543 119.300 0.099 0.000 2.409 220 C HA -0.303 4.231 4.460 0.123 0.000 0.284 220 C C 1.237 176.232 174.990 0.008 0.000 1.354 220 C CA 0.277 59.326 59.018 0.051 0.000 1.787 220 C CB 0.719 28.373 27.740 -0.144 0.000 1.900 220 C HN 0.623 8.961 8.230 0.051 -0.077 0.520 221 H N -0.332 118.722 119.070 -0.026 0.000 2.355 221 H HA -0.424 4.156 4.556 0.039 0.000 0.324 221 H C -0.729 174.585 175.328 -0.023 0.000 1.015 221 H CA -0.338 55.718 56.048 0.014 0.000 1.101 221 H CB -2.918 26.879 29.762 0.059 0.000 1.555 221 H HN -0.284 8.049 8.280 0.168 0.048 0.386 222 D N -2.702 117.522 120.400 -0.293 0.000 2.203 222 D HA -0.415 4.017 4.640 -0.348 0.000 0.199 222 D C -0.336 175.874 176.300 -0.150 0.000 0.997 222 D CA 2.237 56.065 54.000 -0.286 0.000 0.863 222 D CB 0.316 40.944 40.800 -0.287 0.000 0.928 222 D HN -0.463 7.747 8.370 -0.265 0.001 0.458 223 G N -1.501 107.265 108.800 -0.057 0.000 3.058 223 G HA2 0.257 4.230 3.960 0.023 0.000 0.282 223 G HA3 0.257 4.576 3.960 0.046 -0.332 0.282 223 G C -1.517 173.428 174.900 0.076 0.000 1.248 223 G CA -0.559 44.557 45.100 0.026 0.000 0.822 223 G HN -0.856 7.383 8.290 -0.047 0.022 0.579 224 T N -0.218 114.395 114.554 0.098 0.000 2.799 224 T HA 0.026 4.426 4.350 0.084 0.000 0.296 224 T C 0.878 175.618 174.700 0.066 0.000 0.947 224 T CA -0.723 61.433 62.100 0.094 0.000 1.141 224 T CB 0.952 69.892 68.868 0.120 0.000 0.891 224 T HN -0.424 8.047 8.240 0.106 -0.166 0.533 225 I N 7.870 128.442 120.570 0.003 0.000 2.502 225 I HA -0.557 3.583 4.170 -0.049 0.000 0.258 225 I C 1.410 177.465 176.117 -0.103 0.000 1.172 225 I CA 3.078 64.326 61.300 -0.087 0.000 1.430 225 I CB 0.116 37.963 38.000 -0.256 0.000 1.086 225 I HN 0.667 8.882 8.210 0.009 0.000 0.440 226 E N -0.416 119.734 120.200 -0.083 0.000 2.114 226 E HA -0.333 3.926 4.350 -0.151 0.000 0.199 226 E C 1.705 178.099 176.600 -0.344 0.000 1.008 226 E CA 3.188 59.470 56.400 -0.196 0.000 0.810 226 E CB -0.366 29.206 29.700 -0.213 0.000 0.739 226 E HN 0.209 8.498 8.360 -0.039 0.048 0.456 227 F N -6.966 112.987 119.950 0.005 0.000 2.752 227 F HA 0.228 4.765 4.527 0.018 0.000 0.310 227 F C 1.831 177.641 175.800 0.017 0.000 1.097 227 F CA 0.376 58.383 58.000 0.012 0.000 1.238 227 F CB 1.356 40.366 39.000 0.016 0.000 1.061 227 F HN -0.360 8.024 8.300 0.146 0.004 0.591 228 T N 2.023 116.669 114.554 0.153 0.000 2.897 228 T HA -0.283 4.137 4.350 0.117 0.000 0.271 228 T C -0.103 174.643 174.700 0.076 0.000 1.084 228 T CA 3.505 65.666 62.100 0.101 0.000 1.123 228 T CB 0.526 69.436 68.868 0.070 0.000 0.865 228 T HN 0.177 8.314 8.240 0.127 0.179 0.496 229 S N -2.323 113.388 115.700 0.018 0.000 3.795 229 S HA -0.409 3.955 4.470 -0.177 0.000 0.682 229 S C 0.938 175.555 174.600 0.028 0.000 1.792 229 S CA 1.941 60.129 58.200 -0.021 0.000 1.892 229 S CB -0.084 63.177 63.200 0.102 0.000 0.343 229 S HN -0.836 7.411 8.310 -0.022 0.050 1.341 230 I N -2.624 117.956 120.570 0.016 0.000 2.361 230 I HA -0.414 3.860 4.170 0.174 0.000 0.251 230 I C 1.105 177.275 176.117 0.088 0.000 1.133 230 I CA 3.164 64.511 61.300 0.079 0.000 1.413 230 I CB -0.043 37.974 38.000 0.029 0.000 1.073 230 I HN 0.468 8.663 8.210 -0.025 0.000 0.424 231 D N 1.525 121.977 120.400 0.085 0.000 2.137 231 D HA -0.455 4.245 4.640 0.099 0.000 0.193 231 D C 1.401 177.762 176.300 0.101 0.000 0.993 231 D CA 4.539 58.598 54.000 0.099 0.000 0.846 231 D CB -0.576 40.286 40.800 0.102 0.000 0.990 231 D HN -0.496 7.904 8.370 0.083 0.020 0.448 232 A N -2.691 120.179 122.820 0.083 0.000 1.933 232 A HA -0.261 4.036 4.320 -0.039 0.000 0.218 232 A C 2.414 180.030 177.584 0.054 0.000 1.175 232 A CA 2.468 54.511 52.037 0.010 0.000 0.628 232 A CB -0.409 18.572 19.000 -0.032 0.000 0.814 232 A HN -0.649 7.552 8.150 0.087 0.000 0.444 233 H N -1.487 117.582 119.070 -0.002 0.000 2.489 233 H HA -0.221 4.352 4.556 0.028 0.000 0.293 233 H C 0.568 175.909 175.328 0.023 0.000 1.066 233 H CA 2.219 58.272 56.048 0.009 0.000 1.305 233 H CB -0.241 29.510 29.762 -0.018 0.000 1.386 233 H HN -0.087 8.285 8.280 0.178 0.015 0.551 234 N N -5.782 112.863 118.700 -0.092 0.000 2.236 234 N HA -0.033 4.551 4.740 -0.261 0.000 0.196 234 N C -0.403 175.107 175.510 -0.001 0.000 1.114 234 N CA 0.374 53.351 53.050 -0.122 0.000 0.859 234 N CB 1.828 40.283 38.487 -0.053 0.000 0.982 234 N HN -0.410 7.819 8.380 0.022 0.165 0.493 235 G N -0.426 108.397 108.800 0.037 0.000 2.205 235 G HA2 -0.366 3.643 3.960 0.035 0.000 0.261 235 G HA3 -0.366 3.816 3.960 0.098 -0.163 0.261 235 G C -0.356 174.680 174.900 0.227 0.000 0.980 235 G CA 0.809 45.968 45.100 0.098 0.000 0.632 235 G HN -0.113 7.979 8.290 0.021 0.210 0.533 236 V N 2.105 122.142 119.914 0.205 0.000 2.686 236 V HA 0.005 4.278 4.120 0.255 0.000 0.295 236 V C -1.298 174.994 176.094 0.331 0.000 1.055 236 V CA -0.998 61.456 62.300 0.257 0.000 1.050 236 V CB 1.309 33.273 31.823 0.234 0.000 0.984 236 V HN -0.783 7.392 8.190 0.142 0.100 0.482 237 A N 8.054 131.065 122.820 0.318 0.000 2.450 237 A HA 0.145 4.741 4.320 0.461 0.000 0.255 237 A C -1.543 176.213 177.584 0.285 0.000 1.096 237 A CA -1.843 50.389 52.037 0.326 0.000 0.778 237 A CB -0.585 18.541 19.000 0.209 0.000 1.031 237 A HN 0.090 8.393 8.150 0.254 0.000 0.494 238 P HA -0.039 4.673 4.420 0.085 -0.240 0.252 238 P C -0.745 176.558 177.300 0.005 0.000 1.694 238 P CA -0.406 62.752 63.100 0.096 0.000 1.163 238 P CB -1.107 30.624 31.700 0.051 0.000 1.934 239 S N 3.899 119.646 115.700 0.078 0.000 3.829 239 S HA -0.220 4.168 4.470 -0.136 0.000 0.250 239 S C 0.281 174.787 174.600 -0.157 0.000 1.263 239 S CA 0.578 58.807 58.200 0.048 0.000 0.955 239 S CB -0.663 62.692 63.200 0.259 0.000 1.611 239 S HN -0.010 8.350 8.310 0.135 0.031 0.483 240 R N 3.197 123.473 120.500 -0.373 0.000 1.196 240 R HA -0.612 3.345 4.340 -0.638 0.000 0.018 240 R C 0.691 176.808 176.300 -0.305 0.000 0.961 240 R CA 4.045 59.870 56.100 -0.459 0.000 1.985 240 R CB -2.414 27.649 30.300 -0.395 0.000 0.134 240 R HN 0.605 8.576 8.270 -0.445 0.032 0.731 241 R N 1.443 121.803 120.500 -0.232 0.000 2.119 241 R HA -0.288 3.921 4.340 -0.218 0.000 0.246 241 R C 1.899 178.119 176.300 -0.133 0.000 1.146 241 R CA 3.331 59.319 56.100 -0.186 0.000 0.962 241 R CB -0.829 29.376 30.300 -0.157 0.000 0.863 241 R HN 0.236 8.313 8.270 -0.222 0.060 0.442 242 G N -2.405 106.340 108.800 -0.091 0.000 2.414 242 G HA2 -0.268 3.843 3.960 -0.004 0.000 0.215 242 G HA3 -0.268 3.817 3.960 0.002 -0.124 0.215 242 G C 0.863 175.737 174.900 -0.044 0.000 1.188 242 G CA 1.948 47.029 45.100 -0.031 0.000 0.783 242 G HN 0.487 8.714 8.290 -0.096 0.005 0.537 243 D N 3.126 123.464 120.400 -0.103 0.000 2.106 243 D HA -0.285 4.311 4.640 -0.074 0.000 0.191 243 D C 2.377 178.647 176.300 -0.050 0.000 0.997 243 D CA 3.445 57.381 54.000 -0.107 0.000 0.834 243 D CB -0.348 40.326 40.800 -0.210 0.000 0.956 243 D HN -0.578 7.706 8.370 -0.144 0.000 0.448 244 L N -1.756 119.411 121.223 -0.093 0.000 2.012 244 L HA -0.310 4.099 4.340 0.114 0.000 0.210 244 L C 2.668 179.562 176.870 0.040 0.000 1.073 244 L CA 3.009 57.841 54.840 -0.013 0.000 0.748 244 L CB -0.240 41.700 42.059 -0.199 0.000 0.891 244 L HN 0.170 8.296 8.230 -0.174 0.000 0.431 245 E N -0.403 119.756 120.200 -0.069 0.000 2.049 245 E HA -0.383 3.839 4.350 -0.214 0.000 0.198 245 E C 2.342 178.896 176.600 -0.077 0.000 1.007 245 E CA 3.077 59.398 56.400 -0.132 0.000 0.809 245 E CB -0.349 29.293 29.700 -0.098 0.000 0.749 245 E HN -0.426 7.873 8.360 -0.102 0.000 0.450 246 I N -0.482 120.134 120.570 0.078 0.000 2.163 246 I HA -0.417 3.965 4.170 0.353 0.000 0.243 246 I C 2.248 178.450 176.117 0.143 0.000 1.085 246 I CA 4.292 65.706 61.300 0.190 0.000 1.347 246 I CB -0.137 37.959 38.000 0.159 0.000 1.044 246 I HN 0.154 8.396 8.210 0.054 0.000 0.408 247 L N -0.144 121.136 121.223 0.096 0.000 2.079 247 L HA -0.205 4.158 4.340 0.038 0.000 0.210 247 L C 2.365 179.219 176.870 -0.027 0.000 1.081 247 L CA 2.713 57.584 54.840 0.051 0.000 0.752 247 L CB -0.657 41.451 42.059 0.081 0.000 0.896 247 L HN -0.272 8.016 8.230 0.096 0.000 0.433 248 G N -2.353 106.468 108.800 0.034 0.000 2.402 248 G HA2 -0.340 3.545 3.960 -0.125 0.000 0.216 248 G HA3 -0.340 3.670 3.960 0.084 0.000 0.216 248 G C 1.068 175.954 174.900 -0.023 0.000 1.162 248 G CA 2.203 47.296 45.100 -0.010 0.000 0.777 248 G HN -0.045 8.210 8.290 0.116 0.104 0.539 249 Y N 2.112 122.451 120.300 0.066 0.000 2.114 249 Y HA -0.184 4.483 4.550 0.195 0.000 0.284 249 Y C 2.518 178.407 175.900 -0.019 0.000 1.143 249 Y CA 2.411 60.575 58.100 0.107 0.000 1.135 249 Y CB -0.501 38.022 38.460 0.104 0.000 0.980 249 Y HN -0.366 7.798 8.280 -0.065 0.077 0.499 250 C N -2.642 116.667 119.300 0.015 0.000 2.422 250 C HA -0.427 3.851 4.460 -0.303 0.000 0.279 250 C C 2.147 176.607 174.990 -0.882 0.000 1.305 250 C CA 2.595 61.320 59.018 -0.488 0.000 1.757 250 C CB -0.179 27.152 27.740 -0.682 0.000 1.962 250 C HN -0.065 8.228 8.230 0.106 0.000 0.499 251 M N 2.151 121.528 119.600 -0.372 0.000 2.067 251 M HA -0.443 4.137 4.480 0.167 0.000 0.260 251 M C 2.190 178.531 176.300 0.069 0.000 1.069 251 M CA 4.007 59.277 55.300 -0.049 0.000 1.117 251 M CB 0.103 32.682 32.600 -0.035 0.000 1.334 251 M HN -0.387 7.654 8.290 -0.230 0.111 0.407 252 I N -0.930 119.677 120.570 0.061 0.000 2.361 252 I HA -0.547 3.737 4.170 0.189 0.000 0.251 252 I C 1.356 177.528 176.117 0.091 0.000 1.133 252 I CA 3.336 64.717 61.300 0.135 0.000 1.413 252 I CB -0.079 38.025 38.000 0.173 0.000 1.073 252 I HN -0.236 7.999 8.210 0.041 0.000 0.424 253 Q N 0.492 120.270 119.800 -0.036 0.000 2.167 253 Q HA -0.262 3.998 4.340 -0.133 0.000 0.202 253 Q C 2.637 178.663 176.000 0.042 0.000 0.970 253 Q CA 3.327 59.058 55.803 -0.119 0.000 0.855 253 Q CB -0.039 28.531 28.738 -0.280 0.000 0.911 253 Q HN -0.234 7.898 8.270 -0.074 0.093 0.438 254 W N -1.430 119.928 121.300 0.098 0.000 2.453 254 W HA -0.082 4.567 4.660 -0.018 0.000 0.289 254 W C 2.159 178.725 176.519 0.077 0.000 1.215 254 W CA 1.886 59.285 57.345 0.090 0.000 1.297 254 W CB -0.462 29.154 29.460 0.260 0.000 1.113 254 W HN -0.100 7.975 8.180 0.024 0.119 0.551 255 L N -2.872 118.573 121.223 0.370 0.000 2.240 255 L HA 0.160 4.828 4.340 0.287 -0.156 0.211 255 L C 1.224 178.356 176.870 0.436 0.000 1.106 255 L CA 2.038 57.080 54.840 0.337 0.000 0.793 255 L CB 0.293 42.538 42.059 0.310 0.000 0.927 255 L HN -0.444 7.916 8.230 0.352 0.081 0.446 256 T N -5.809 108.934 114.554 0.313 0.000 3.031 256 T HA -0.016 4.456 4.350 0.203 0.000 0.254 256 T C 1.254 175.994 174.700 0.066 0.000 1.060 256 T CA 1.166 63.330 62.100 0.108 0.000 1.135 256 T CB 2.048 70.816 68.868 -0.167 0.000 0.896 256 T HN -0.190 8.071 8.240 0.235 0.120 0.472 257 G N 2.103 110.951 108.800 0.081 0.000 2.184 257 G HA2 -0.416 3.742 3.960 0.065 0.000 0.264 257 G HA3 -0.416 3.579 3.960 0.058 0.000 0.264 257 G C -1.608 173.380 174.900 0.146 0.000 0.975 257 G CA 0.924 46.070 45.100 0.077 0.000 0.642 257 G HN 0.079 8.322 8.290 0.105 0.111 0.536 258 H N -2.156 116.842 119.070 -0.119 0.000 3.079 258 H HA 0.226 4.690 4.556 -0.154 0.000 0.356 258 H C -2.231 172.919 175.328 -0.297 0.000 1.221 258 H CA 0.033 55.974 56.048 -0.179 0.000 1.185 258 H CB 3.276 32.943 29.762 -0.158 0.000 1.882 258 H HN -0.805 7.396 8.280 0.006 0.083 0.543 259 L N 1.335 122.238 121.223 -0.533 0.000 2.386 259 L HA 0.601 4.556 4.340 -0.641 0.000 0.271 259 L C -1.501 174.984 176.870 -0.641 0.000 0.993 259 L CA -3.520 50.868 54.840 -0.754 0.000 0.819 259 L CB 3.212 44.528 42.059 -1.237 0.000 1.294 259 L HN -0.341 7.606 8.230 -0.743 -0.163 0.414 260 P HA -0.005 4.329 4.420 -0.143 0.000 0.214 260 P C 0.547 177.701 177.300 -0.243 0.000 1.162 260 P CA 2.348 65.321 63.100 -0.212 0.000 0.874 260 P CB 0.289 32.034 31.700 0.075 0.000 0.784 261 W N -2.846 118.281 121.300 -0.289 0.000 2.467 261 W HA 0.022 4.525 4.660 -0.263 0.000 0.275 261 W C 1.721 178.048 176.519 -0.319 0.000 1.239 261 W CA 1.185 58.333 57.345 -0.327 0.000 1.266 261 W CB -0.990 28.195 29.460 -0.458 0.000 1.112 261 W HN -0.210 7.727 8.180 -0.404 0.000 0.576 262 E N 2.223 121.883 120.200 -0.900 0.000 2.049 262 E HA -0.451 3.628 4.350 -0.451 0.000 0.198 262 E C 1.933 178.319 176.600 -0.356 0.000 1.007 262 E CA 3.107 59.129 56.400 -0.630 0.000 0.809 262 E CB -0.758 28.476 29.700 -0.776 0.000 0.749 262 E HN 0.126 7.599 8.360 -1.434 0.027 0.450 263 D N -2.178 118.009 120.400 -0.355 0.000 2.265 263 D HA -0.223 4.279 4.640 -0.230 0.000 0.208 263 D C 0.409 176.558 176.300 -0.251 0.000 0.977 263 D CA 2.567 56.413 54.000 -0.257 0.000 0.871 263 D CB -0.351 40.320 40.800 -0.215 0.000 0.925 263 D HN -0.366 7.751 8.370 -0.422 0.000 0.485 264 N N -4.024 114.500 118.700 -0.294 0.000 2.204 264 N HA 0.203 4.667 4.740 -0.460 0.000 0.219 264 N C 0.894 176.269 175.510 -0.226 0.000 1.151 264 N CA -0.838 51.945 53.050 -0.445 0.000 0.867 264 N CB 0.959 38.942 38.487 -0.841 0.000 1.043 264 N HN -0.296 7.744 8.380 -0.266 0.180 0.516 265 L N -3.567 117.584 121.223 -0.120 0.000 2.551 265 L HA 0.017 4.358 4.340 0.002 0.000 0.228 265 L C 0.138 176.978 176.870 -0.050 0.000 1.153 265 L CA 1.558 56.371 54.840 -0.044 0.000 0.851 265 L CB -0.361 41.671 42.059 -0.045 0.000 0.959 265 L HN -0.215 7.706 8.230 -0.162 0.212 0.451 266 K N -4.232 116.132 120.400 -0.060 0.000 2.173 266 K HA -0.293 4.008 4.320 -0.031 0.000 0.207 266 K C 0.172 176.776 176.600 0.006 0.000 1.046 266 K CA 1.967 58.236 56.287 -0.029 0.000 0.929 266 K CB -0.427 32.054 32.500 -0.032 0.000 0.720 266 K HN -0.186 7.928 8.250 -0.102 0.075 0.453 267 D N -1.776 118.653 120.400 0.049 0.000 2.433 267 D HA 0.434 5.090 4.640 0.028 0.000 0.236 267 D C -1.483 174.830 176.300 0.022 0.000 1.026 267 D CA -2.718 51.320 54.000 0.065 0.000 0.884 267 D CB 2.955 43.841 40.800 0.143 0.000 1.384 267 D HN -0.815 7.567 8.370 0.066 0.029 0.477 268 P HA -0.126 4.084 4.420 -0.349 0.000 0.216 268 P C 1.231 178.537 177.300 0.011 0.000 1.153 268 P CA 2.254 65.293 63.100 -0.103 0.000 0.844 268 P CB 0.757 32.503 31.700 0.075 0.000 0.787 269 K N -1.347 119.070 120.400 0.029 0.000 2.074 269 K HA -0.374 3.951 4.320 0.009 0.000 0.209 269 K C 2.252 178.819 176.600 -0.055 0.000 1.048 269 K CA 3.799 60.071 56.287 -0.025 0.000 0.926 269 K CB -0.902 31.539 32.500 -0.098 0.000 0.713 269 K HN 0.148 8.415 8.250 0.028 0.000 0.444 270 Y N -2.302 117.976 120.300 -0.037 0.000 2.114 270 Y HA -0.283 4.253 4.550 -0.024 0.000 0.284 270 Y C 2.635 178.482 175.900 -0.089 0.000 1.143 270 Y CA 3.401 61.476 58.100 -0.042 0.000 1.135 270 Y CB -0.500 37.942 38.460 -0.030 0.000 0.980 270 Y HN -0.336 8.005 8.280 0.110 0.006 0.499 271 V N 0.540 120.475 119.914 0.035 0.000 2.380 271 V HA -0.546 3.445 4.120 -0.215 0.000 0.251 271 V C 2.130 178.095 176.094 -0.215 0.000 1.063 271 V CA 4.605 66.800 62.300 -0.174 0.000 1.055 271 V CB -0.322 31.336 31.823 -0.276 0.000 0.657 271 V HN -0.588 7.635 8.190 0.054 0.000 0.455 272 R N -0.451 120.000 120.500 -0.081 0.000 2.062 272 R HA -0.367 3.944 4.340 -0.048 0.000 0.231 272 R C 2.015 178.279 176.300 -0.060 0.000 1.136 272 R CA 3.982 60.060 56.100 -0.037 0.000 0.948 272 R CB -0.197 30.130 30.300 0.044 0.000 0.845 272 R HN -0.027 8.204 8.270 -0.038 0.016 0.430 273 D N -1.183 119.196 120.400 -0.036 0.000 2.182 273 D HA -0.245 4.389 4.640 -0.011 0.000 0.201 273 D C 2.752 179.064 176.300 0.020 0.000 0.986 273 D CA 3.278 57.273 54.000 -0.010 0.000 0.847 273 D CB -0.621 40.168 40.800 -0.017 0.000 0.942 273 D HN -0.138 8.212 8.370 -0.032 0.000 0.467 274 S N 0.090 115.769 115.700 -0.033 0.000 2.357 274 S HA -0.268 4.273 4.470 0.118 0.000 0.221 274 S C 2.064 176.528 174.600 -0.227 0.000 1.031 274 S CA 3.646 61.781 58.200 -0.108 0.000 0.982 274 S CB -0.054 62.987 63.200 -0.264 0.000 0.853 274 S HN 0.240 8.498 8.310 -0.052 0.021 0.458 275 K N 2.695 122.873 120.400 -0.369 0.000 2.032 275 K HA -0.236 3.805 4.320 -0.466 0.000 0.209 275 K C 2.883 179.455 176.600 -0.047 0.000 1.048 275 K CA 3.037 59.135 56.287 -0.316 0.000 0.927 275 K CB -0.256 32.056 32.500 -0.314 0.000 0.712 275 K HN -0.421 7.601 8.250 -0.379 0.000 0.441 276 I N -0.987 119.570 120.570 -0.022 0.000 2.163 276 I HA -0.522 3.658 4.170 0.017 0.000 0.240 276 I C 1.456 177.616 176.117 0.071 0.000 1.081 276 I CA 4.404 65.716 61.300 0.020 0.000 1.353 276 I CB -0.104 37.897 38.000 0.001 0.000 1.054 276 I HN 0.036 8.213 8.210 -0.056 0.000 0.407 277 R N -0.400 120.166 120.500 0.111 0.000 2.103 277 R HA -0.414 4.132 4.340 0.076 -0.160 0.242 277 R C 2.775 179.178 176.300 0.171 0.000 1.142 277 R CA 3.363 59.549 56.100 0.143 0.000 0.960 277 R CB -0.188 30.231 30.300 0.198 0.000 0.858 277 R HN -0.286 8.039 8.270 0.093 0.000 0.439 278 Y N -3.245 117.065 120.300 0.016 0.000 2.395 278 Y HA -0.129 4.459 4.550 0.063 0.000 0.293 278 Y C 1.925 177.851 175.900 0.042 0.000 1.123 278 Y CA 2.273 60.403 58.100 0.050 0.000 1.227 278 Y CB -0.304 38.201 38.460 0.076 0.000 1.012 278 Y HN 0.172 8.623 8.280 0.478 0.115 0.552 279 R N -1.121 119.483 120.500 0.174 0.000 2.115 279 R HA -0.493 3.905 4.340 0.096 0.000 0.230 279 R C 2.071 178.400 176.300 0.048 0.000 1.111 279 R CA 3.601 59.756 56.100 0.092 0.000 0.976 279 R CB -0.277 30.059 30.300 0.060 0.000 0.870 279 R HN -0.012 8.136 8.270 0.173 0.226 0.445 280 E N -2.560 117.664 120.200 0.040 0.000 2.097 280 E HA -0.293 4.062 4.350 0.008 0.000 0.196 280 E C 0.327 176.930 176.600 0.004 0.000 1.000 280 E CA 2.760 59.168 56.400 0.013 0.000 0.804 280 E CB 0.173 29.877 29.700 0.007 0.000 0.740 280 E HN -0.416 7.959 8.360 0.057 0.019 0.454 281 N N -3.068 115.633 118.700 0.003 0.000 2.666 281 N HA 0.108 4.848 4.740 -0.000 0.000 0.253 281 N C -0.251 175.260 175.510 0.002 0.000 1.621 281 N CA -0.763 52.283 53.050 -0.006 0.000 0.785 281 N CB -0.465 38.009 38.487 -0.022 0.000 1.332 281 N HN -0.846 7.530 8.380 0.009 0.009 0.514 282 I N -1.078 119.513 120.570 0.035 0.000 2.315 282 I HA -0.257 4.052 4.170 0.114 -0.071 0.251 282 I C 0.878 177.031 176.117 0.059 0.000 1.125 282 I CA 3.164 64.509 61.300 0.075 0.000 1.392 282 I CB -1.429 36.615 38.000 0.075 0.000 1.065 282 I HN -0.508 7.722 8.210 0.034 0.000 0.424 283 A N 0.827 123.668 122.820 0.035 0.000 1.883 283 A HA -0.368 3.982 4.320 0.050 0.000 0.217 283 A C 2.424 180.026 177.584 0.030 0.000 1.186 283 A CA 3.392 55.450 52.037 0.035 0.000 0.624 283 A CB -1.231 17.782 19.000 0.022 0.000 0.822 283 A HN 0.235 8.369 8.150 0.023 0.030 0.444 284 S N -1.026 114.677 115.700 0.005 0.000 2.368 284 S HA -0.239 4.233 4.470 0.003 0.000 0.224 284 S C 2.043 176.630 174.600 -0.021 0.000 1.029 284 S CA 3.595 61.788 58.200 -0.011 0.000 0.988 284 S CB -0.265 62.915 63.200 -0.034 0.000 0.838 284 S HN -0.723 7.799 8.310 -0.002 -0.213 0.462 285 L N 1.126 122.322 121.223 -0.044 0.000 2.093 285 L HA -0.257 4.007 4.340 -0.127 0.000 0.208 285 L C 2.299 179.207 176.870 0.062 0.000 1.085 285 L CA 2.750 57.552 54.840 -0.063 0.000 0.755 285 L CB -0.895 41.080 42.059 -0.140 0.000 0.904 285 L HN -0.392 7.813 8.230 -0.042 0.000 0.435 286 M N -0.494 119.168 119.600 0.102 0.000 2.132 286 M HA -0.405 4.177 4.480 0.171 0.000 0.263 286 M C 2.116 178.499 176.300 0.138 0.000 1.065 286 M CA 3.812 59.197 55.300 0.142 0.000 1.122 286 M CB -0.128 32.557 32.600 0.140 0.000 1.365 286 M HN 0.445 8.681 8.290 0.086 0.105 0.411 287 D N -2.565 117.894 120.400 0.100 0.000 2.277 287 D HA -0.174 4.550 4.640 0.140 0.000 0.208 287 D C 1.532 177.883 176.300 0.086 0.000 0.962 287 D CA 2.322 56.383 54.000 0.102 0.000 0.865 287 D CB -0.213 40.627 40.800 0.067 0.000 0.939 287 D HN -0.269 8.146 8.370 0.075 0.000 0.510 288 K N -0.488 119.941 120.400 0.047 0.000 2.103 288 K HA -0.134 4.199 4.320 0.022 0.000 0.204 288 K C 1.744 178.345 176.600 0.002 0.000 1.052 288 K CA 2.068 58.365 56.287 0.017 0.000 0.945 288 K CB -0.169 32.320 32.500 -0.018 0.000 0.722 288 K HN -0.326 7.810 8.250 0.041 0.138 0.443 289 C N -1.054 118.238 119.300 -0.014 0.000 2.437 289 C HA -0.162 4.210 4.460 -0.147 0.000 0.283 289 C C -1.005 173.801 174.990 -0.307 0.000 1.424 289 C CA 1.359 60.285 59.018 -0.154 0.000 1.782 289 C CB 0.706 28.348 27.740 -0.163 0.000 1.833 289 C HN -0.465 7.780 8.230 0.026 0.000 0.532 290 F N -1.849 118.122 119.950 0.035 0.000 2.949 290 F HA 0.276 4.817 4.527 0.023 0.000 0.376 290 F C -2.218 173.595 175.800 0.021 0.000 1.205 290 F CA -3.734 54.283 58.000 0.028 0.000 1.155 290 F CB 2.030 41.050 39.000 0.035 0.000 1.495 290 F HN -0.917 7.294 8.300 0.134 0.169 0.551 291 P HA 0.049 4.527 4.420 0.097 0.000 0.216 291 P C -0.654 176.709 177.300 0.106 0.000 1.153 291 P CA 1.344 64.517 63.100 0.122 0.000 0.844 291 P CB 0.889 32.639 31.700 0.083 0.000 0.787 292 E N -6.786 113.486 120.200 0.120 0.000 3.686 292 E HA 0.087 4.459 4.350 0.036 0.000 0.219 292 E C -0.908 175.717 176.600 0.042 0.000 1.076 292 E CA -0.478 55.957 56.400 0.058 0.000 1.439 292 E CB 0.087 29.811 29.700 0.039 0.000 1.193 292 E HN -0.446 8.019 8.360 0.176 0.000 0.382 293 K N 0.235 120.663 120.400 0.045 0.000 2.202 293 K HA 0.020 4.362 4.320 0.037 0.000 0.201 293 K C -0.013 176.484 176.600 -0.171 0.000 1.051 293 K CA 1.359 57.640 56.287 -0.009 0.000 0.977 293 K CB 0.353 32.952 32.500 0.165 0.000 0.792 293 K HN 0.417 8.723 8.250 0.093 0.000 0.469 294 N N -2.447 116.068 118.700 -0.308 0.000 3.174 294 N HA 0.013 4.653 4.740 -0.166 0.000 0.286 294 N C -0.907 174.492 175.510 -0.185 0.000 1.151 294 N CA 0.162 53.053 53.050 -0.265 0.000 1.386 294 N CB 0.792 39.048 38.487 -0.385 0.000 0.951 294 N HN -0.490 7.678 8.380 -0.353 0.000 1.170 295 K N -0.814 119.455 120.400 -0.219 0.000 2.429 295 K HA 0.165 4.443 4.320 -0.070 0.000 0.286 295 K C -2.868 173.688 176.600 -0.073 0.000 1.592 295 K CA -0.441 55.784 56.287 -0.104 0.000 0.894 295 K CB 0.930 33.390 32.500 -0.066 0.000 1.417 295 K HN -0.128 7.908 8.250 -0.357 0.000 0.457 296 P HA 0.045 4.502 4.420 0.061 0.000 0.268 296 P C -1.027 176.312 177.300 0.064 0.000 1.282 296 P CA -0.057 63.079 63.100 0.060 0.000 0.880 296 P CB -0.135 31.674 31.700 0.181 0.000 0.971 297 G N 2.991 111.825 108.800 0.056 0.000 3.083 297 G HA2 0.126 4.123 3.960 0.061 0.000 0.210 297 G HA3 0.126 4.110 3.960 0.040 0.000 0.210 297 G C 0.136 175.076 174.900 0.066 0.000 1.571 297 G CA 1.367 46.500 45.100 0.055 0.000 0.727 297 G HN -0.283 8.038 8.290 0.051 0.000 0.988 298 E N 2.328 122.563 120.200 0.058 0.000 2.058 298 E HA -0.352 4.043 4.350 0.074 0.000 0.194 298 E C 2.024 178.684 176.600 0.100 0.000 0.997 298 E CA 3.459 59.900 56.400 0.068 0.000 0.801 298 E CB -0.155 29.569 29.700 0.040 0.000 0.746 298 E HN 0.053 8.439 8.360 0.043 0.000 0.450 299 I N -2.216 118.407 120.570 0.088 0.000 2.353 299 I HA -0.379 3.838 4.170 0.078 0.000 0.248 299 I C 1.661 177.868 176.117 0.149 0.000 1.119 299 I CA 3.930 65.293 61.300 0.106 0.000 1.417 299 I CB -0.688 37.372 38.000 0.099 0.000 1.078 299 I HN 0.140 8.397 8.210 0.078 0.000 0.421 300 A N 0.338 123.231 122.820 0.123 0.000 1.858 300 A HA -0.325 4.059 4.320 0.108 0.000 0.216 300 A C 1.780 179.416 177.584 0.086 0.000 1.190 300 A CA 3.105 55.204 52.037 0.103 0.000 0.617 300 A CB -1.052 18.002 19.000 0.089 0.000 0.827 300 A HN -0.118 8.027 8.150 0.113 0.073 0.443 301 K N -1.940 118.511 120.400 0.085 0.000 2.025 301 K HA -0.263 4.077 4.320 0.033 0.000 0.207 301 K C 1.907 178.545 176.600 0.062 0.000 1.049 301 K CA 2.882 59.204 56.287 0.060 0.000 0.933 301 K CB -0.056 32.478 32.500 0.056 0.000 0.714 301 K HN 0.112 8.307 8.250 0.090 0.109 0.438 302 Y N 0.863 121.154 120.300 -0.015 0.000 2.081 302 Y HA -0.528 4.002 4.550 -0.034 0.000 0.280 302 Y C 1.778 177.641 175.900 -0.062 0.000 1.163 302 Y CA 3.910 61.991 58.100 -0.033 0.000 1.135 302 Y CB -0.255 38.193 38.460 -0.021 0.000 0.970 302 Y HN -0.218 8.199 8.280 0.229 0.000 0.498 303 M N -1.503 118.154 119.600 0.095 0.000 2.077 303 M HA -0.510 3.868 4.480 -0.169 0.000 0.261 303 M C 2.091 178.315 176.300 -0.127 0.000 1.070 303 M CA 4.318 59.582 55.300 -0.060 0.000 1.125 303 M CB 0.240 32.838 32.600 -0.003 0.000 1.339 303 M HN -0.113 8.324 8.290 0.246 0.000 0.409 304 E N -0.631 119.535 120.200 -0.056 0.000 2.130 304 E HA -0.461 3.859 4.350 -0.049 0.000 0.196 304 E C 2.565 179.110 176.600 -0.092 0.000 0.998 304 E CA 3.179 59.546 56.400 -0.054 0.000 0.806 304 E CB -0.184 29.505 29.700 -0.019 0.000 0.738 304 E HN -0.195 8.161 8.360 -0.007 0.000 0.459 305 T N 1.581 116.060 114.554 -0.125 0.000 2.777 305 T HA -0.308 3.979 4.350 -0.105 0.000 0.266 305 T C 2.021 176.597 174.700 -0.207 0.000 1.040 305 T CA 4.610 66.620 62.100 -0.149 0.000 1.141 305 T CB 0.023 68.797 68.868 -0.156 0.000 0.868 305 T HN 0.196 8.248 8.240 -0.116 0.118 0.444 306 V N 0.318 120.045 119.914 -0.311 0.000 2.469 306 V HA -0.437 3.481 4.120 -0.337 0.000 0.251 306 V C 1.237 177.207 176.094 -0.207 0.000 1.064 306 V CA 4.097 66.199 62.300 -0.330 0.000 1.066 306 V CB -0.430 31.123 31.823 -0.450 0.000 0.667 306 V HN -0.200 7.691 8.190 -0.368 0.079 0.461 307 K N -2.573 117.733 120.400 -0.157 0.000 2.361 307 K HA 0.001 4.269 4.320 -0.088 0.000 0.194 307 K C 1.802 178.361 176.600 -0.069 0.000 1.032 307 K CA 0.264 56.494 56.287 -0.096 0.000 1.048 307 K CB -0.211 32.244 32.500 -0.075 0.000 0.842 307 K HN -0.409 7.622 8.250 -0.166 0.120 0.526 308 L N -0.272 120.903 121.223 -0.081 0.000 2.313 308 L HA -0.163 4.152 4.340 -0.042 0.000 0.214 308 L C 1.000 177.839 176.870 -0.052 0.000 1.119 308 L CA 1.951 56.757 54.840 -0.058 0.000 0.809 308 L CB -0.061 41.962 42.059 -0.059 0.000 0.933 308 L HN -0.368 7.607 8.230 -0.108 0.190 0.449 309 L N -6.707 114.473 121.223 -0.071 0.000 2.034 309 L HA 0.037 4.347 4.340 -0.051 0.000 0.203 309 L C 0.388 177.237 176.870 -0.035 0.000 1.074 309 L CA 1.414 56.217 54.840 -0.063 0.000 0.748 309 L CB 0.519 42.520 42.059 -0.096 0.000 0.905 309 L HN -0.687 7.453 8.230 -0.096 0.033 0.439 310 D N -7.072 113.308 120.400 -0.034 0.000 2.995 310 D HA 0.015 4.689 4.640 0.056 0.000 0.303 310 D C -0.026 176.293 176.300 0.032 0.000 1.226 310 D CA -0.131 53.886 54.000 0.029 0.000 0.727 310 D CB 0.945 41.774 40.800 0.049 0.000 1.263 310 D HN -0.817 7.516 8.370 -0.063 0.000 0.442 311 Y N -1.645 118.621 120.300 -0.058 0.000 2.314 311 Y HA -0.218 4.289 4.550 -0.072 0.000 0.293 311 Y C -1.005 174.872 175.900 -0.039 0.000 1.129 311 Y CA 2.365 60.426 58.100 -0.064 0.000 1.201 311 Y CB 0.408 38.812 38.460 -0.094 0.000 0.999 311 Y HN 0.261 8.797 8.280 0.427 0.000 0.541 312 T N -2.822 111.195 114.554 -0.895 0.000 4.487 312 T HA 0.253 4.336 4.350 -0.446 0.000 0.232 312 T C -1.374 173.087 174.700 -0.399 0.000 0.941 312 T CA -0.514 61.133 62.100 -0.756 0.000 1.315 312 T CB 0.036 68.250 68.868 -1.089 0.000 0.851 312 T HN -0.629 7.235 8.240 -0.591 0.021 0.559 313 E N 2.815 122.881 120.200 -0.224 0.000 2.033 313 E HA -0.231 4.068 4.350 -0.085 0.000 0.194 313 E C -1.593 174.940 176.600 -0.111 0.000 0.960 313 E CA 2.630 58.961 56.400 -0.116 0.000 0.842 313 E CB 0.594 30.252 29.700 -0.069 0.000 0.816 313 E HN 0.032 8.265 8.360 -0.213 0.000 0.468 314 K N -4.205 116.122 120.400 -0.123 0.000 2.578 314 K HA 0.295 4.547 4.320 -0.113 0.000 0.269 314 K C -2.676 173.825 176.600 -0.165 0.000 0.941 314 K CA -1.824 54.392 56.287 -0.117 0.000 0.847 314 K CB 1.742 34.197 32.500 -0.076 0.000 1.397 314 K HN -0.136 8.034 8.250 -0.132 0.000 0.422 315 P HA 0.129 4.305 4.420 -0.407 0.000 0.272 315 P C -1.336 175.789 177.300 -0.292 0.000 1.240 315 P CA -0.285 62.605 63.100 -0.349 0.000 0.791 315 P CB 0.703 32.138 31.700 -0.442 0.000 0.978 316 L N -1.662 119.314 121.223 -0.411 0.000 2.472 316 L HA 0.324 4.601 4.340 -0.106 0.000 0.256 316 L C -0.178 176.576 176.870 -0.193 0.000 1.560 316 L CA -0.258 54.450 54.840 -0.220 0.000 0.805 316 L CB 0.753 42.707 42.059 -0.175 0.000 1.017 316 L HN -0.253 7.617 8.230 -0.599 0.000 0.519 317 Y N 1.236 121.521 120.300 -0.026 0.000 2.128 317 Y HA -0.456 4.111 4.550 0.028 0.000 0.284 317 Y C 1.481 177.398 175.900 0.028 0.000 1.154 317 Y CA 3.979 62.086 58.100 0.012 0.000 1.149 317 Y CB -0.782 37.689 38.460 0.018 0.000 0.976 317 Y HN 0.323 8.558 8.280 -0.075 0.000 0.505 318 E N -1.015 119.296 120.200 0.185 0.000 2.051 318 E HA -0.462 3.958 4.350 0.117 0.000 0.192 318 E C 2.326 178.969 176.600 0.071 0.000 0.991 318 E CA 3.316 59.783 56.400 0.111 0.000 0.799 318 E CB -1.125 28.626 29.700 0.084 0.000 0.748 318 E HN 0.432 8.919 8.360 0.212 0.000 0.449 319 N N -1.094 117.628 118.700 0.037 0.000 2.058 319 N HA -0.223 4.529 4.740 0.019 0.000 0.191 319 N C 2.118 177.643 175.510 0.025 0.000 1.037 319 N CA 2.642 55.698 53.050 0.011 0.000 0.848 319 N CB -0.231 38.239 38.487 -0.030 0.000 1.021 319 N HN -0.287 8.111 8.380 0.029 0.000 0.422 320 L N -0.521 120.712 121.223 0.016 0.000 1.989 320 L HA -0.435 3.948 4.340 0.071 0.000 0.211 320 L C 1.860 178.839 176.870 0.182 0.000 1.071 320 L CA 3.751 58.649 54.840 0.097 0.000 0.749 320 L CB -0.317 41.794 42.059 0.086 0.000 0.890 320 L HN 0.499 8.605 8.230 -0.021 0.111 0.431 321 R N -1.696 118.895 120.500 0.152 0.000 2.159 321 R HA -0.473 3.947 4.340 0.133 0.000 0.237 321 R C 1.917 178.272 176.300 0.092 0.000 1.131 321 R CA 3.695 59.872 56.100 0.129 0.000 0.982 321 R CB -0.473 29.903 30.300 0.126 0.000 0.868 321 R HN 0.375 8.618 8.270 0.143 0.112 0.453 322 D N 0.361 120.809 120.400 0.079 0.000 2.077 322 D HA -0.208 4.463 4.640 0.052 0.000 0.196 322 D C 2.327 178.661 176.300 0.057 0.000 0.986 322 D CA 3.679 57.714 54.000 0.058 0.000 0.829 322 D CB -0.207 40.620 40.800 0.044 0.000 0.983 322 D HN -0.299 7.987 8.370 0.081 0.133 0.453 323 I N 0.324 120.934 120.570 0.066 0.000 2.286 323 I HA -0.384 3.816 4.170 0.050 0.000 0.248 323 I C 1.530 177.693 176.117 0.077 0.000 1.115 323 I CA 3.038 64.379 61.300 0.068 0.000 1.392 323 I CB -0.281 37.765 38.000 0.075 0.000 1.065 323 I HN -0.282 7.969 8.210 0.069 0.000 0.418 324 L N 0.368 121.649 121.223 0.096 0.000 2.005 324 L HA -0.297 4.080 4.340 0.062 0.000 0.207 324 L C 2.140 179.036 176.870 0.043 0.000 1.072 324 L CA 3.712 58.592 54.840 0.068 0.000 0.744 324 L CB -0.268 41.826 42.059 0.058 0.000 0.895 324 L HN -0.156 8.129 8.230 0.119 0.016 0.433 325 L N -2.805 118.445 121.223 0.045 0.000 2.201 325 L HA -0.416 3.939 4.340 0.025 0.000 0.212 325 L C 2.319 179.205 176.870 0.026 0.000 1.105 325 L CA 3.398 58.257 54.840 0.032 0.000 0.775 325 L CB -0.277 41.803 42.059 0.033 0.000 0.913 325 L HN -0.038 8.226 8.230 0.056 0.000 0.440 326 Q N 0.125 119.944 119.800 0.031 0.000 2.046 326 Q HA -0.217 4.135 4.340 0.021 0.000 0.200 326 Q C 2.845 178.857 176.000 0.021 0.000 0.975 326 Q CA 2.843 58.661 55.803 0.025 0.000 0.836 326 Q CB -0.623 28.132 28.738 0.028 0.000 0.896 326 Q HN 0.346 8.524 8.270 0.039 0.116 0.428 327 G N -1.447 107.368 108.800 0.026 0.000 2.421 327 G HA2 -0.201 3.770 3.960 0.017 0.000 0.217 327 G HA3 -0.201 3.775 3.960 0.026 0.000 0.217 327 G C 1.422 176.330 174.900 0.012 0.000 1.143 327 G CA 1.398 46.510 45.100 0.020 0.000 0.784 327 G HN -0.147 8.164 8.290 0.034 0.000 0.541 328 L N 0.773 122.004 121.223 0.014 0.000 2.109 328 L HA -0.134 4.208 4.340 0.003 0.000 0.207 328 L C 0.922 177.794 176.870 0.003 0.000 1.086 328 L CA 2.150 56.994 54.840 0.007 0.000 0.760 328 L CB -0.459 41.605 42.059 0.010 0.000 0.910 328 L HN -0.264 7.977 8.230 0.020 0.000 0.437 329 K N -1.556 118.848 120.400 0.007 0.000 2.361 329 K HA 0.013 4.553 4.320 0.001 -0.220 0.196 329 K C 2.608 179.209 176.600 0.003 0.000 1.039 329 K CA 1.649 57.939 56.287 0.004 0.000 1.001 329 K CB -0.141 32.363 32.500 0.006 0.000 0.795 329 K HN -0.103 8.050 8.250 0.011 0.103 0.495 330 A N 0.681 123.504 122.820 0.004 0.000 2.024 330 A HA -0.216 4.107 4.320 0.004 0.000 0.220 330 A C 1.082 178.665 177.584 -0.001 0.000 1.164 330 A CA 2.897 54.935 52.037 0.003 0.000 0.643 330 A CB -1.057 17.946 19.000 0.005 0.000 0.806 330 A HN -0.011 7.996 8.150 0.007 0.148 0.451 331 I N -8.868 111.699 120.570 -0.004 0.000 3.564 331 I HA 0.076 4.240 4.170 -0.009 0.000 0.294 331 I C 0.410 176.523 176.117 -0.007 0.000 1.289 331 I CA -1.055 60.240 61.300 -0.009 0.000 1.325 331 I CB -0.968 37.023 38.000 -0.014 0.000 1.039 331 I HN -0.672 7.506 8.210 -0.004 0.029 0.474 332 G N -0.329 108.468 108.800 -0.005 0.000 2.147 332 G HA2 -0.340 3.647 3.960 -0.003 0.000 0.244 332 G HA3 -0.340 3.616 3.960 -0.005 0.000 0.244 332 G C -0.676 174.221 174.900 -0.006 0.000 1.005 332 G CA 0.379 45.476 45.100 -0.005 0.000 0.713 332 G HN 0.093 8.159 8.290 -0.003 0.222 0.515 333 S N 1.753 117.449 115.700 -0.007 0.000 2.538 333 S HA 0.306 4.771 4.470 -0.009 0.000 0.288 333 S C -1.841 172.755 174.600 -0.007 0.000 1.108 333 S CA -0.527 57.668 58.200 -0.008 0.000 0.971 333 S CB 2.762 65.956 63.200 -0.010 0.000 1.041 333 S HN -0.423 7.847 8.310 -0.006 0.036 0.483 334 K N 1.239 121.634 120.400 -0.010 0.000 2.633 334 K HA 0.003 4.317 4.320 -0.010 0.000 0.268 334 K C -2.066 174.525 176.600 -0.015 0.000 1.005 334 K CA 0.283 56.564 56.287 -0.010 0.000 0.976 334 K CB 1.787 34.284 32.500 -0.005 0.000 1.372 334 K HN 0.041 8.284 8.250 -0.011 0.000 0.420 335 D N -0.682 119.706 120.400 -0.020 0.000 3.026 335 D HA -0.233 4.386 4.640 -0.035 0.000 0.248 335 D C -0.763 175.519 176.300 -0.030 0.000 1.100 335 D CA 0.493 54.476 54.000 -0.028 0.000 0.855 335 D CB -0.695 40.090 40.800 -0.026 0.000 1.011 335 D HN 0.333 8.691 8.370 -0.020 0.000 0.423 336 D N -1.692 118.689 120.400 -0.032 0.000 2.309 336 D HA -0.236 4.389 4.640 -0.026 0.000 0.212 336 D C 1.060 177.338 176.300 -0.036 0.000 0.968 336 D CA 1.276 55.257 54.000 -0.031 0.000 0.882 336 D CB 0.421 41.203 40.800 -0.031 0.000 0.918 336 D HN 0.036 8.386 8.370 -0.034 0.000 0.503 337 G N -2.762 106.011 108.800 -0.045 0.000 3.345 337 G HA2 -0.197 3.736 3.960 -0.046 0.000 0.199 337 G HA3 -0.197 3.736 3.960 -0.045 0.000 0.199 337 G C -0.143 174.718 174.900 -0.065 0.000 1.057 337 G CA 0.516 45.586 45.100 -0.049 0.000 0.865 337 G HN -0.053 8.152 8.290 -0.047 0.058 0.449 338 K N -2.487 117.869 120.400 -0.073 0.000 2.997 338 K HA 0.126 4.384 4.320 -0.103 0.000 0.259 338 K C -1.303 175.234 176.600 -0.105 0.000 2.334 338 K CA -0.060 56.171 56.287 -0.095 0.000 1.377 338 K CB 0.596 33.039 32.500 -0.095 0.000 2.602 338 K HN -0.297 7.913 8.250 -0.066 0.000 0.425 339 L N -0.496 120.664 121.223 -0.105 0.000 2.828 339 L HA 0.226 4.497 4.340 -0.114 0.000 0.264 339 L C -1.673 175.134 176.870 -0.105 0.000 1.106 339 L CA -0.140 54.628 54.840 -0.122 0.000 0.955 339 L CB 1.913 43.872 42.059 -0.166 0.000 1.558 339 L HN -0.204 7.970 8.230 -0.094 0.000 0.386 340 D N -0.744 119.583 120.400 -0.121 0.000 2.837 340 D HA 0.129 4.727 4.640 -0.070 0.000 0.340 340 D C -0.761 175.469 176.300 -0.116 0.000 1.451 340 D CA 0.056 54.004 54.000 -0.087 0.000 0.798 340 D CB 0.182 40.957 40.800 -0.042 0.000 1.169 340 D HN 0.083 8.357 8.370 -0.159 0.000 0.449 341 L N -1.462 119.653 121.223 -0.180 0.000 3.096 341 L HA 0.296 4.527 4.340 -0.182 0.000 0.272 341 L C -0.350 176.429 176.870 -0.152 0.000 1.311 341 L CA -0.146 54.556 54.840 -0.230 0.000 0.943 341 L CB 0.414 42.211 42.059 -0.436 0.000 1.348 341 L HN -0.313 7.811 8.230 -0.177 0.000 0.562 342 S N 0.542 116.185 115.700 -0.095 0.000 2.618 342 S HA 0.075 4.492 4.470 -0.088 0.000 0.242 342 S C 0.422 174.996 174.600 -0.043 0.000 0.972 342 S CA 0.695 58.851 58.200 -0.074 0.000 1.004 342 S CB 0.106 63.266 63.200 -0.067 0.000 0.778 342 S HN 0.102 8.307 8.310 -0.080 0.057 0.459 343 V N 2.092 121.989 119.914 -0.028 0.000 2.867 343 V HA -0.196 3.925 4.120 0.003 0.000 0.260 343 V C -0.984 175.108 176.094 -0.005 0.000 1.099 343 V CA 1.418 63.718 62.300 0.001 0.000 1.122 343 V CB 0.204 32.049 31.823 0.036 0.000 0.708 343 V HN -0.520 7.543 8.190 -0.041 0.103 0.490 344 V N -2.084 117.819 119.914 -0.019 0.000 4.923 344 V HA -0.422 3.686 4.120 -0.021 0.000 0.378 344 V C -0.709 175.386 176.094 0.002 0.000 0.678 344 V CA 1.144 63.436 62.300 -0.014 0.000 1.503 344 V CB -1.157 30.657 31.823 -0.014 0.000 1.812 344 V HN -0.137 7.982 8.190 -0.034 0.051 0.469 345 E N 5.294 125.498 120.200 0.006 0.000 2.280 345 E HA 0.046 4.404 4.350 0.013 0.000 0.197 345 E C -0.621 175.991 176.600 0.021 0.000 0.913 345 E CA -0.617 55.792 56.400 0.015 0.000 0.995 345 E CB 1.848 31.560 29.700 0.021 0.000 0.991 345 E HN 0.623 8.983 8.360 -0.000 0.000 0.484 346 N N 0.696 119.412 118.700 0.026 0.000 2.408 346 N HA -0.411 4.619 4.740 0.046 -0.263 0.293 346 N C -1.514 174.021 175.510 0.041 0.000 1.433 346 N CA 0.548 53.623 53.050 0.041 0.000 0.637 346 N CB -1.056 37.459 38.487 0.048 0.000 0.941 346 N HN 0.010 8.403 8.380 0.020 0.000 0.499 347 G N 1.425 110.252 108.800 0.045 0.000 3.264 347 G HA2 0.283 4.267 3.960 0.040 0.000 0.168 347 G HA3 0.283 4.267 3.960 0.039 0.000 0.168 347 G C -1.984 172.946 174.900 0.051 0.000 1.145 347 G CA -0.447 44.679 45.100 0.043 0.000 0.855 347 G HN 0.183 8.863 8.290 0.047 -0.363 0.629 348 G N -0.492 108.337 108.800 0.049 0.000 2.938 348 G HA2 0.369 4.360 3.960 0.052 0.000 0.308 348 G HA3 0.369 4.358 3.960 0.050 0.000 0.308 348 G C 0.051 174.977 174.900 0.043 0.000 1.422 348 G CA -0.659 44.471 45.100 0.049 0.000 1.071 348 G HN -0.053 8.264 8.290 0.046 0.000 0.530 349 L N -0.412 120.831 121.223 0.034 0.000 2.367 349 L HA 0.005 4.367 4.340 0.037 0.000 0.215 349 L C -0.756 176.108 176.870 -0.009 0.000 1.197 349 L CA 0.472 55.322 54.840 0.017 0.000 0.836 349 L CB 0.512 42.569 42.059 -0.003 0.000 1.242 349 L HN -0.394 7.858 8.230 0.037 0.000 0.553 350 K N -3.425 116.948 120.400 -0.045 0.000 2.250 350 K HA 0.231 4.505 4.320 -0.077 0.000 0.261 350 K C -1.679 174.795 176.600 -0.210 0.000 1.047 350 K CA -1.705 54.533 56.287 -0.082 0.000 0.884 350 K CB 3.586 36.077 32.500 -0.015 0.000 1.476 350 K HN -0.397 7.826 8.250 -0.044 0.000 0.445 351 A N -2.559 120.121 122.820 -0.234 0.000 2.457 351 A HA 0.206 4.376 4.320 -0.251 0.000 0.305 351 A C -2.253 175.281 177.584 -0.083 0.000 1.110 351 A CA -0.105 51.707 52.037 -0.376 0.000 0.616 351 A CB 1.460 19.661 19.000 -1.333 0.000 1.371 351 A HN 0.123 8.199 8.150 -0.123 0.000 0.525 352 K N -2.508 117.961 120.400 0.114 0.000 2.772 352 K HA 0.131 4.629 4.320 0.297 0.000 0.292 352 K C -2.158 174.648 176.600 0.344 0.000 1.049 352 K CA -0.468 55.971 56.287 0.254 0.000 0.846 352 K CB 2.836 35.409 32.500 0.121 0.000 1.514 352 K HN -0.133 8.191 8.250 0.123 0.000 0.373 353 T N -0.310 114.376 114.554 0.221 0.000 2.847 353 T HA 0.086 4.587 4.350 0.186 -0.040 0.279 353 T C 0.421 175.192 174.700 0.119 0.000 0.984 353 T CA -1.564 60.631 62.100 0.158 0.000 0.988 353 T CB 0.812 69.737 68.868 0.094 0.000 1.040 353 T HN -0.045 8.301 8.240 0.176 0.000 0.528 354 I N -1.314 119.327 120.570 0.118 0.000 2.575 354 I HA 0.157 4.424 4.170 0.127 -0.020 0.285 354 I C -0.910 175.263 176.117 0.094 0.000 1.085 354 I CA -0.212 61.163 61.300 0.125 0.000 1.403 354 I CB 0.721 38.815 38.000 0.156 0.000 1.409 354 I HN -0.004 8.276 8.210 0.117 0.000 0.557 355 T N 4.606 119.207 114.554 0.079 0.000 2.832 355 T HA 0.020 4.372 4.350 0.002 0.000 0.296 355 T C -0.409 174.383 174.700 0.155 0.000 0.968 355 T CA 0.522 62.643 62.100 0.036 0.000 1.107 355 T CB 0.509 69.303 68.868 -0.124 0.000 0.916 355 T HN 0.088 8.383 8.240 0.091 0.000 0.517 356 K N 5.055 125.523 120.400 0.113 0.000 3.007 356 K HA 0.077 4.491 4.320 0.156 0.000 0.285 356 K C -1.443 175.207 176.600 0.083 0.000 2.911 356 K CA 0.375 56.736 56.287 0.123 0.000 1.590 356 K CB 1.328 33.898 32.500 0.117 0.000 3.131 356 K HN 0.283 8.577 8.250 0.074 0.000 0.338 357 K N -1.207 119.232 120.400 0.065 0.000 2.536 357 K HA 0.131 4.483 4.320 0.053 0.000 0.335 357 K C -1.452 175.171 176.600 0.037 0.000 1.390 357 K CA 1.041 57.358 56.287 0.049 0.000 1.083 357 K CB 0.430 32.956 32.500 0.042 0.000 1.416 357 K HN 0.105 8.394 8.250 0.066 0.000 0.509 358 R N 1.115 121.637 120.500 0.036 0.000 2.303 358 R HA -0.018 4.332 4.340 0.017 0.000 0.058 358 R C -1.208 175.108 176.300 0.027 0.000 0.827 358 R CA 0.395 56.510 56.100 0.025 0.000 2.966 358 R CB 0.684 30.997 30.300 0.021 0.000 1.253 358 R HN -0.106 8.190 8.270 0.043 0.000 0.527 359 K N 2.444 122.867 120.400 0.038 0.000 2.320 359 K HA -0.178 4.166 4.320 0.039 0.000 0.273 359 K C 0.106 176.731 176.600 0.042 0.000 1.146 359 K CA 0.711 57.024 56.287 0.044 0.000 1.144 359 K CB -0.543 31.991 32.500 0.057 0.000 0.878 359 K HN 0.042 8.317 8.250 0.043 0.000 0.458 360 K N 0.000 120.420 120.400 0.033 0.000 2.780 360 K HA 0.000 4.338 4.320 0.030 0.000 0.191 360 K CA 0.000 56.304 56.287 0.029 0.000 0.838 360 K CB 0.000 32.511 32.500 0.019 0.000 1.064 360 K HN 0.000 8.267 8.250 0.029 0.000 0.543