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 2bz6_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVGGKVcPKG EcPWQVLLLV XNGAQLcGGT LINTIWVVSA AHcFNWRNLI DATA SEQUENCE AVLGEHDLSE HDGDEQSRRV AQVIIPSTYV PGTTNHDIAL LRLHQPVVLT DATA SEQUENCE DHVVPLCLPE RTFVXXXXRF SLVSGWGQLL DRXGATALEL MVLNVPRLMT DATA SEQUENCE QDcLPXXXXN ITEYMFcAYS DGKDScKGDS GGPHATHYRG TWYLTGIVSW DATA SEQUENCE GQXGcTVGHF GVYTRVSQYI EWLQKLMRSE PRPGVLLRAP FP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.211 4.170 0.068 0.000 0.288 16 I C 0.000 176.141 176.117 0.041 0.000 1.063 16 I CA 0.000 61.328 61.300 0.047 0.000 1.566 16 I CB 0.000 38.015 38.000 0.024 0.000 1.214 17 V N 6.148 126.093 119.914 0.052 0.000 2.394 17 V HA 0.333 4.629 4.120 0.028 -0.159 0.282 17 V C 0.736 176.852 176.094 0.036 0.000 1.031 17 V CA -1.977 60.347 62.300 0.039 0.000 0.881 17 V CB 0.538 32.384 31.823 0.039 0.000 0.982 17 V HN 0.587 8.817 8.190 0.067 0.000 0.451 18 G N 6.641 115.450 108.800 0.015 0.000 2.147 18 G HA2 -0.361 3.751 3.960 -0.012 0.000 0.244 18 G HA3 -0.361 3.592 3.960 -0.011 0.000 0.244 18 G C -0.543 174.359 174.900 0.003 0.000 1.005 18 G CA 0.354 45.452 45.100 -0.002 0.000 0.713 18 G HN 0.554 8.851 8.290 0.011 0.000 0.515 19 G N -1.583 107.226 108.800 0.015 0.000 2.782 19 G HA2 0.369 4.447 3.960 0.020 0.000 0.201 19 G HA3 0.369 4.342 3.960 0.022 0.000 0.201 19 G C -1.846 173.053 174.900 -0.001 0.000 1.374 19 G CA -0.868 44.241 45.100 0.015 0.000 1.039 19 G HN -0.353 7.946 8.290 0.015 0.000 0.576 20 K N -3.513 116.882 120.400 -0.008 0.000 2.495 20 K HA 0.287 4.600 4.320 -0.012 0.000 0.268 20 K C -1.647 174.937 176.600 -0.025 0.000 1.008 20 K CA -1.564 54.715 56.287 -0.014 0.000 0.882 20 K CB 2.875 35.368 32.500 -0.011 0.000 1.443 20 K HN -0.066 8.179 8.250 -0.009 0.000 0.447 21 V N 1.620 121.524 119.914 -0.016 0.000 2.585 21 V HA -0.222 4.017 4.120 -0.040 -0.143 0.296 21 V C 0.536 176.625 176.094 -0.009 0.000 1.035 21 V CA -0.087 62.206 62.300 -0.012 0.000 1.084 21 V CB -0.201 31.639 31.823 0.028 0.000 0.953 21 V HN 0.180 8.365 8.190 -0.008 0.000 0.483 22 c N 9.556 128.140 118.600 -0.026 0.000 2.555 22 c HA 0.191 4.721 4.570 -0.066 0.000 0.385 22 c C -2.173 171.923 174.090 0.010 0.000 1.296 22 c CA -2.617 53.684 56.329 -0.048 0.000 1.757 22 c CB -0.651 41.788 42.510 -0.118 0.000 2.445 22 c HN 0.356 8.445 8.230 -0.056 0.108 0.571 23 P HA -0.091 4.304 4.420 -0.043 0.000 0.265 23 P C -1.405 175.779 177.300 -0.193 0.000 1.193 23 P CA -0.342 62.710 63.100 -0.081 0.000 0.765 23 P CB 0.717 32.367 31.700 -0.083 0.000 0.823 24 K N 5.188 125.332 120.400 -0.427 0.000 2.473 24 K HA -0.441 3.450 4.320 -0.716 0.000 0.277 24 K C 1.016 177.489 176.600 -0.212 0.000 1.052 24 K CA 1.918 57.844 56.287 -0.602 0.000 1.114 24 K CB -0.056 31.980 32.500 -0.772 0.000 0.869 24 K HN 0.442 8.420 8.250 -0.453 0.000 0.481 25 G N 5.738 114.462 108.800 -0.127 0.000 2.195 25 G HA2 -0.279 3.530 3.960 -0.252 0.000 0.246 25 G HA3 -0.279 3.588 3.960 -0.154 0.000 0.246 25 G C 0.293 175.010 174.900 -0.304 0.000 0.984 25 G CA 0.771 45.756 45.100 -0.193 0.000 0.633 25 G HN 0.579 8.807 8.290 -0.104 0.000 0.525 26 E N -1.143 118.886 120.200 -0.285 0.000 2.479 26 E HA -0.033 4.105 4.350 -0.354 0.000 0.193 26 E C 0.135 176.433 176.600 -0.504 0.000 1.049 26 E CA 0.742 56.938 56.400 -0.340 0.000 0.870 26 E CB 0.948 30.510 29.700 -0.230 0.000 0.944 26 E HN 0.156 8.315 8.360 -0.240 0.056 0.492 27 c N 0.241 118.530 118.600 -0.518 0.000 3.163 27 c HA 0.502 4.507 4.570 -0.941 0.000 0.228 27 c C -1.048 172.551 174.090 -0.818 0.000 1.593 27 c CA -2.743 53.163 56.329 -0.706 0.000 1.489 27 c CB -1.397 40.883 42.510 -0.384 0.000 2.294 27 c HN 0.164 8.119 8.230 -0.395 0.038 0.508 28 P HA 0.131 4.361 4.420 -0.316 0.000 0.237 28 P C -0.210 176.916 177.300 -0.289 0.000 1.178 28 P CA 1.628 64.406 63.100 -0.536 0.000 0.766 28 P CB -0.025 31.399 31.700 -0.460 0.000 0.876 29 W N -4.521 116.790 121.300 0.017 0.000 3.197 29 W HA 0.277 5.076 4.660 0.071 -0.096 0.274 29 W C -0.733 175.836 176.519 0.083 0.000 1.297 29 W CA -2.826 54.552 57.345 0.054 0.000 1.662 29 W CB -1.408 28.081 29.460 0.049 0.000 1.106 29 W HN -0.458 6.802 8.180 -1.446 0.052 0.663 30 Q N 2.341 122.224 119.800 0.138 0.000 2.311 30 Q HA 0.059 4.553 4.340 0.257 0.000 0.272 30 Q C -0.827 175.336 176.000 0.271 0.000 1.012 30 Q CA 0.604 56.522 55.803 0.193 0.000 0.891 30 Q CB 0.407 29.156 28.738 0.017 0.000 1.201 30 Q HN -0.682 7.490 8.270 -0.097 0.039 0.391 31 V N 5.697 125.795 119.914 0.308 0.000 2.581 31 V HA 0.436 4.872 4.120 0.271 -0.153 0.303 31 V C -1.254 175.061 176.094 0.368 0.000 1.041 31 V CA -2.008 60.469 62.300 0.294 0.000 0.907 31 V CB 2.129 34.092 31.823 0.233 0.000 0.994 31 V HN 0.213 8.581 8.190 0.297 0.000 0.442 32 L N 6.550 127.917 121.223 0.241 0.000 2.287 32 L HA 0.454 4.905 4.340 0.186 0.000 0.287 32 L C -2.000 174.893 176.870 0.038 0.000 1.022 32 L CA -1.304 53.579 54.840 0.072 0.000 0.814 32 L CB 2.534 44.373 42.059 -0.365 0.000 1.217 32 L HN 0.283 8.619 8.230 0.175 0.000 0.420 33 L N 6.225 127.480 121.223 0.053 0.000 2.289 33 L HA 0.666 5.228 4.340 0.059 -0.186 0.285 33 L C -1.159 175.703 176.870 -0.013 0.000 1.049 33 L CA -1.161 53.705 54.840 0.044 0.000 0.804 33 L CB 1.157 43.262 42.059 0.076 0.000 1.195 33 L HN 0.716 8.990 8.230 0.074 0.000 0.428 34 L N 2.026 123.241 121.223 -0.013 0.000 2.362 34 L HA 0.934 5.446 4.340 -0.056 -0.205 0.271 34 L C -1.045 175.810 176.870 -0.024 0.000 1.002 34 L CA -1.359 53.458 54.840 -0.039 0.000 0.818 34 L CB 3.115 45.142 42.059 -0.052 0.000 1.298 34 L HN 0.417 8.653 8.230 0.010 0.000 0.420 38 G N -1.268 107.506 108.800 -0.043 0.000 2.205 38 G HA2 -0.407 3.524 3.960 -0.048 0.000 0.261 38 G HA3 -0.407 3.522 3.960 -0.052 0.000 0.261 38 G C -0.898 173.965 174.900 -0.061 0.000 0.980 38 G CA 0.244 45.314 45.100 -0.051 0.000 0.632 38 G HN 0.355 8.593 8.290 -0.041 0.028 0.533 39 A N 0.752 123.538 122.820 -0.058 0.000 2.310 39 A HA 0.218 4.499 4.320 -0.064 0.000 0.299 39 A C -0.977 176.566 177.584 -0.069 0.000 1.147 39 A CA -1.363 50.637 52.037 -0.061 0.000 0.818 39 A CB 1.448 20.417 19.000 -0.052 0.000 1.096 39 A HN -0.313 7.531 8.150 -0.054 0.273 0.495 40 Q N 3.441 123.196 119.800 -0.075 0.000 2.247 40 Q HA -0.270 4.014 4.340 -0.093 0.000 0.288 40 Q C -0.809 175.158 176.000 -0.056 0.000 1.079 40 Q CA 1.559 57.317 55.803 -0.074 0.000 0.932 40 Q CB 0.095 28.794 28.738 -0.065 0.000 1.133 40 Q HN 0.466 8.691 8.270 -0.075 0.000 0.377 41 L N 6.999 128.186 121.223 -0.060 0.000 2.453 41 L HA 0.175 4.462 4.340 -0.088 0.000 0.190 41 L C -1.784 175.035 176.870 -0.086 0.000 1.093 41 L CA 0.484 55.272 54.840 -0.088 0.000 0.834 41 L CB 2.623 44.610 42.059 -0.120 0.000 1.090 41 L HN 0.193 8.389 8.230 -0.057 0.000 0.489 42 c N -5.313 113.254 118.600 -0.055 0.000 3.275 42 c HA 0.180 4.744 4.570 -0.010 0.000 0.340 42 c C -1.683 172.452 174.090 0.074 0.000 1.366 42 c CA -0.606 55.703 56.329 -0.033 0.000 1.227 42 c CB 3.749 46.154 42.510 -0.174 0.000 1.512 42 c HN -0.796 7.414 8.230 -0.034 0.000 0.461 43 G N -0.990 107.884 108.800 0.123 0.000 2.535 43 G HA2 0.675 4.767 3.960 0.221 0.000 0.303 43 G HA3 0.675 4.969 3.960 0.266 -0.175 0.303 43 G C -2.033 172.971 174.900 0.173 0.000 1.237 43 G CA -1.172 44.051 45.100 0.204 0.000 0.986 43 G HN 0.275 8.625 8.290 0.100 0.000 0.494 44 G N -3.564 105.365 108.800 0.216 0.000 2.600 44 G HA2 0.473 4.563 3.960 0.217 0.000 0.293 44 G HA3 0.473 4.855 3.960 0.199 -0.302 0.293 44 G C -2.572 172.472 174.900 0.240 0.000 1.408 44 G CA 0.359 45.588 45.100 0.215 0.000 0.782 44 G HN -0.586 7.852 8.290 0.247 0.000 0.482 45 T N 1.442 116.139 114.554 0.238 0.000 2.881 45 T HA 0.564 5.258 4.350 0.301 -0.163 0.291 45 T C -1.373 173.477 174.700 0.249 0.000 0.990 45 T CA -0.587 61.667 62.100 0.258 0.000 0.976 45 T CB 2.616 71.615 68.868 0.217 0.000 0.970 45 T HN 0.311 8.687 8.240 0.227 0.000 0.438 46 L N 7.847 129.237 121.223 0.278 0.000 2.410 46 L HA 0.115 4.728 4.340 0.237 -0.130 0.273 46 L C -0.839 176.170 176.870 0.232 0.000 1.144 46 L CA 0.159 55.151 54.840 0.253 0.000 0.863 46 L CB 1.118 43.330 42.059 0.254 0.000 1.140 46 L HN 0.203 8.624 8.230 0.318 0.000 0.463 47 I N -0.547 120.155 120.570 0.220 0.000 4.288 47 I HA 0.603 5.050 4.170 0.145 -0.190 0.331 47 I C -1.047 175.179 176.117 0.182 0.000 1.322 47 I CA -0.902 60.504 61.300 0.177 0.000 1.149 47 I CB 1.128 39.221 38.000 0.156 0.000 1.112 47 I HN 0.242 8.600 8.210 0.246 0.000 0.403 48 N N -1.802 117.032 118.700 0.223 0.000 3.378 48 N HA 0.090 4.929 4.740 0.166 0.000 0.294 48 N C -0.335 175.283 175.510 0.180 0.000 1.544 48 N CA 0.036 53.206 53.050 0.201 0.000 0.872 48 N CB 0.355 38.982 38.487 0.233 0.000 1.670 48 N HN -0.837 7.693 8.380 0.250 0.000 0.551 49 T N -4.247 110.388 114.554 0.134 0.000 3.072 49 T HA -0.118 4.286 4.350 0.090 0.000 0.266 49 T C 0.380 175.096 174.700 0.027 0.000 1.127 49 T CA 2.898 65.047 62.100 0.081 0.000 1.107 49 T CB -0.126 68.775 68.868 0.055 0.000 0.910 49 T HN 0.380 8.699 8.240 0.132 0.000 0.513 50 I N -7.320 113.241 120.570 -0.015 0.000 4.338 50 I HA 0.468 4.535 4.170 -0.171 0.000 0.329 50 I C -2.471 173.434 176.117 -0.353 0.000 1.378 50 I CA -0.140 61.017 61.300 -0.238 0.000 1.170 50 I CB 1.482 39.227 38.000 -0.426 0.000 1.206 50 I HN -0.609 7.858 8.210 0.058 -0.222 0.432 51 W N -0.134 121.200 121.300 0.057 0.000 2.656 51 W HA 0.734 5.618 4.660 0.050 -0.195 0.327 51 W C -1.600 174.970 176.519 0.086 0.000 1.041 51 W CA -1.642 55.738 57.345 0.059 0.000 1.229 51 W CB 3.415 32.903 29.460 0.047 0.000 1.397 51 W HN -0.537 7.929 8.180 0.245 -0.139 0.479 52 V N 3.539 123.671 119.914 0.363 0.000 2.588 52 V HA 0.661 5.132 4.120 0.262 -0.194 0.304 52 V C -1.347 174.910 176.094 0.272 0.000 1.042 52 V CA -1.793 60.671 62.300 0.274 0.000 0.877 52 V CB 2.979 34.933 31.823 0.219 0.000 0.996 52 V HN 0.729 9.154 8.190 0.391 0.000 0.425 53 V N 7.980 128.037 119.914 0.238 0.000 2.407 53 V HA 0.631 5.049 4.120 0.215 -0.169 0.278 53 V C -0.957 175.261 176.094 0.207 0.000 1.037 53 V CA -1.006 61.422 62.300 0.213 0.000 0.900 53 V CB 0.384 32.322 31.823 0.191 0.000 0.983 53 V HN 0.433 8.762 8.190 0.231 0.000 0.459 54 S N 5.224 121.046 115.700 0.204 0.000 2.911 54 S HA 0.614 5.385 4.470 0.165 -0.202 0.319 54 S C -1.976 172.704 174.600 0.132 0.000 1.154 54 S CA -2.949 55.365 58.200 0.190 0.000 0.857 54 S CB 2.035 65.395 63.200 0.267 0.000 1.279 54 S HN 0.494 8.927 8.310 0.205 0.000 0.593 55 A N -0.276 122.578 122.820 0.055 0.000 2.292 55 A HA 0.490 4.949 4.320 -0.016 -0.149 0.319 55 A C 0.259 177.813 177.584 -0.051 0.000 1.206 55 A CA -1.556 50.456 52.037 -0.042 0.000 0.835 55 A CB 1.545 20.463 19.000 -0.137 0.000 1.164 55 A HN 0.499 8.655 8.150 0.010 0.000 0.505 56 A N 5.685 128.423 122.820 -0.137 0.000 1.927 56 A HA -0.342 3.994 4.320 0.028 0.000 0.220 56 A C 1.400 178.879 177.584 -0.176 0.000 1.185 56 A CA 3.098 54.972 52.037 -0.272 0.000 0.639 56 A CB -0.795 17.545 19.000 -1.101 0.000 0.820 56 A HN 0.771 8.763 8.150 -0.194 0.041 0.451 57 H N -3.465 115.496 119.070 -0.181 0.000 2.518 57 H HA -0.117 4.710 4.556 0.171 -0.168 0.289 57 H C 1.981 177.260 175.328 -0.081 0.000 1.051 57 H CA 2.307 58.370 56.048 0.025 0.000 1.280 57 H CB -1.141 28.680 29.762 0.099 0.000 1.380 57 H HN -0.026 8.535 8.280 -0.063 -0.318 0.566 58 c N -0.441 117.741 118.600 -0.696 0.000 2.409 58 c HA -0.261 3.918 4.570 -0.652 0.000 0.284 58 c C -0.595 172.965 174.090 -0.885 0.000 1.354 58 c CA 3.005 58.810 56.329 -0.873 0.000 1.787 58 c CB -1.683 40.121 42.510 -1.177 0.000 1.900 58 c HN -0.804 6.936 8.230 -0.774 0.026 0.520 59 F N -2.968 116.964 119.950 -0.031 0.000 2.470 59 F HA 0.068 4.525 4.527 -0.117 0.000 0.329 59 F C 0.488 176.309 175.800 0.035 0.000 1.072 59 F CA -1.669 56.324 58.000 -0.012 0.000 0.989 59 F CB 0.532 39.629 39.000 0.161 0.000 1.193 59 F HN -0.575 7.589 8.300 -0.153 0.045 0.481 60 N N 3.486 122.082 118.700 -0.174 0.000 1.939 60 N HA -0.313 4.444 4.740 0.029 0.000 0.301 60 N C 0.692 176.145 175.510 -0.095 0.000 1.353 60 N CA 0.561 53.574 53.050 -0.063 0.000 0.851 60 N CB 0.276 38.755 38.487 -0.013 0.000 1.153 60 N HN 0.266 8.536 8.380 -0.184 0.000 0.496 61 W N 4.615 125.929 121.300 0.024 0.000 2.525 61 W HA -0.218 4.468 4.660 0.044 0.000 0.259 61 W C 1.423 177.945 176.519 0.005 0.000 1.253 61 W CA 1.345 58.703 57.345 0.022 0.000 1.262 61 W CB 0.064 29.528 29.460 0.007 0.000 1.122 61 W HN 0.499 8.873 8.180 0.322 0.000 0.607 62 R N -3.452 117.147 120.500 0.164 0.000 2.313 62 R HA -0.010 4.380 4.340 0.083 0.000 0.199 62 R C 0.321 176.642 176.300 0.034 0.000 0.958 62 R CA 0.666 56.815 56.100 0.082 0.000 1.047 62 R CB -0.507 29.824 30.300 0.053 0.000 0.955 62 R HN -0.222 8.407 8.270 0.148 -0.270 0.481 63 N N -0.398 118.316 118.700 0.024 0.000 2.238 63 N HA 0.119 4.858 4.740 -0.003 0.000 0.222 63 N C -1.748 173.766 175.510 0.006 0.000 1.133 63 N CA -0.075 52.975 53.050 -0.000 0.000 0.854 63 N CB 0.929 39.404 38.487 -0.021 0.000 1.041 63 N HN -0.595 7.750 8.380 0.022 0.049 0.510 64 L N 0.760 122.008 121.223 0.040 0.000 2.290 64 L HA 0.422 4.977 4.340 0.052 -0.184 0.284 64 L C -1.544 175.361 176.870 0.059 0.000 1.078 64 L CA 0.049 54.930 54.840 0.069 0.000 0.815 64 L CB 0.955 43.103 42.059 0.149 0.000 1.162 64 L HN -0.958 7.251 8.230 0.060 0.057 0.435 65 I N 2.186 122.785 120.570 0.047 0.000 2.545 65 I HA 0.626 4.971 4.170 0.040 -0.151 0.292 65 I C -1.759 174.389 176.117 0.051 0.000 1.040 65 I CA -3.080 58.242 61.300 0.037 0.000 1.068 65 I CB 3.430 41.435 38.000 0.009 0.000 1.251 65 I HN 0.307 8.541 8.210 0.040 0.000 0.424 66 A N 6.289 129.145 122.820 0.059 0.000 2.304 66 A HA 0.681 5.202 4.320 0.078 -0.154 0.323 66 A C -1.976 175.640 177.584 0.053 0.000 1.195 66 A CA -2.100 49.980 52.037 0.072 0.000 0.826 66 A CB 2.574 21.631 19.000 0.095 0.000 1.184 66 A HN 0.761 8.945 8.150 0.056 0.000 0.496 67 V N 3.720 123.661 119.914 0.045 0.000 2.487 67 V HA 0.678 5.011 4.120 0.038 -0.190 0.298 67 V C -1.321 174.821 176.094 0.080 0.000 1.028 67 V CA -1.205 61.115 62.300 0.033 0.000 0.860 67 V CB 2.343 34.148 31.823 -0.031 0.000 0.991 67 V HN 0.584 8.803 8.190 0.048 0.000 0.427 68 L N 5.200 126.476 121.223 0.088 0.000 2.334 68 L HA 0.508 4.938 4.340 0.149 0.000 0.272 68 L C 1.193 178.125 176.870 0.104 0.000 1.020 68 L CA -1.904 53.006 54.840 0.117 0.000 0.812 68 L CB 2.549 44.672 42.059 0.107 0.000 1.264 68 L HN 0.593 8.866 8.230 0.072 0.000 0.439 69 G N -0.898 107.977 108.800 0.125 0.000 2.153 69 G HA2 -0.503 3.678 3.960 0.088 0.000 0.252 69 G HA3 -0.503 3.696 3.960 0.128 -0.162 0.252 69 G C -1.273 173.702 174.900 0.125 0.000 0.994 69 G CA 0.488 45.657 45.100 0.115 0.000 0.698 69 G HN 0.533 8.905 8.290 0.137 0.000 0.521 70 E N -1.497 118.820 120.200 0.195 0.000 2.349 70 E HA -0.035 4.391 4.350 0.127 0.000 0.265 70 E C -1.140 175.740 176.600 0.467 0.000 1.064 70 E CA -0.455 56.079 56.400 0.223 0.000 0.886 70 E CB 1.249 30.974 29.700 0.041 0.000 1.036 70 E HN -0.296 8.162 8.360 0.225 0.037 0.413 71 H N 3.859 123.106 119.070 0.295 0.000 2.587 71 H HA 0.132 4.920 4.556 0.387 0.000 0.133 71 H C -1.373 174.169 175.328 0.358 0.000 1.140 71 H CA 0.999 57.234 56.048 0.312 0.000 1.119 71 H CB 2.599 32.434 29.762 0.121 0.000 0.844 71 H HN 0.105 8.556 8.280 0.285 0.000 0.265 72 D N 0.591 120.997 120.400 0.009 0.000 2.392 72 D HA 0.396 5.161 4.640 -0.090 -0.179 0.228 72 D C 1.232 177.525 176.300 -0.011 0.000 1.074 72 D CA -1.786 52.187 54.000 -0.046 0.000 0.838 72 D CB 0.254 41.059 40.800 0.009 0.000 1.067 72 D HN -0.159 8.307 8.370 0.161 0.000 0.511 73 L N 6.385 127.575 121.223 -0.054 0.000 2.456 73 L HA -0.198 4.043 4.340 -0.164 0.000 0.224 73 L C 1.441 178.271 176.870 -0.068 0.000 1.148 73 L CA 2.100 56.862 54.840 -0.130 0.000 0.825 73 L CB -0.606 41.325 42.059 -0.215 0.000 0.937 73 L HN 0.508 8.722 8.230 -0.026 0.000 0.450 74 S N -2.631 113.051 115.700 -0.030 0.000 2.527 74 S HA -0.105 4.352 4.470 -0.022 0.000 0.222 74 S C 0.288 174.889 174.600 0.002 0.000 0.985 74 S CA 0.560 58.751 58.200 -0.015 0.000 0.921 74 S CB 0.607 63.805 63.200 -0.005 0.000 0.772 74 S HN -0.097 8.480 8.310 -0.022 -0.280 0.529 75 E N 0.253 120.461 120.200 0.012 0.000 2.392 75 E HA 0.091 4.467 4.350 0.043 0.000 0.269 75 E C -2.040 174.599 176.600 0.064 0.000 0.924 75 E CA -1.523 54.899 56.400 0.037 0.000 0.784 75 E CB 2.315 32.033 29.700 0.030 0.000 1.292 75 E HN -0.644 7.677 8.360 0.005 0.042 0.447 76 H N 1.511 120.571 119.070 -0.018 0.000 2.481 76 H HA 0.286 5.036 4.556 -0.023 -0.208 0.333 76 H C -0.710 174.606 175.328 -0.019 0.000 1.066 76 H CA -0.598 55.437 56.048 -0.021 0.000 1.209 76 H CB 1.661 31.409 29.762 -0.024 0.000 1.445 76 H HN 0.223 8.600 8.280 0.162 0.000 0.488 77 D N 5.275 125.382 120.400 -0.488 0.000 2.500 77 D HA 0.023 4.523 4.640 -0.233 0.000 0.217 77 D C 1.094 177.132 176.300 -0.437 0.000 1.159 77 D CA -0.650 53.141 54.000 -0.349 0.000 0.828 77 D CB 0.736 41.422 40.800 -0.191 0.000 1.039 77 D HN 0.162 8.659 8.370 -0.509 -0.432 0.512 78 G N -0.489 107.843 108.800 -0.781 0.000 2.195 78 G HA2 -0.414 3.405 3.960 -0.235 0.000 0.246 78 G HA3 -0.414 3.323 3.960 -0.372 0.000 0.246 78 G C 0.373 175.140 174.900 -0.222 0.000 0.984 78 G CA 0.590 45.452 45.100 -0.397 0.000 0.633 78 G HN -0.306 7.390 8.290 -1.322 -0.199 0.525 79 D N 0.554 120.799 120.400 -0.258 0.000 2.354 79 D HA 0.027 4.587 4.640 -0.133 0.000 0.209 79 D C 0.066 176.315 176.300 -0.084 0.000 1.015 79 D CA 0.805 54.693 54.000 -0.188 0.000 0.867 79 D CB 0.395 40.968 40.800 -0.379 0.000 0.933 79 D HN -0.249 8.154 8.370 -0.314 -0.221 0.520 80 E N -0.503 119.644 120.200 -0.089 0.000 2.373 80 E HA 0.098 4.641 4.350 0.010 -0.187 0.267 80 E C -0.278 176.339 176.600 0.029 0.000 1.032 80 E CA 0.719 57.114 56.400 -0.009 0.000 0.889 80 E CB 0.231 29.935 29.700 0.006 0.000 0.984 80 E HN -0.109 8.116 8.360 -0.158 0.040 0.425 81 Q N 5.248 125.074 119.800 0.042 0.000 2.292 81 Q HA 0.341 4.710 4.340 0.049 0.000 0.270 81 Q C -1.140 174.887 176.000 0.046 0.000 1.024 81 Q CA -0.977 54.854 55.803 0.048 0.000 0.768 81 Q CB 3.777 32.545 28.738 0.049 0.000 1.250 81 Q HN 0.708 9.005 8.270 0.046 0.000 0.447 82 S N 4.157 119.882 115.700 0.041 0.000 2.475 82 S HA 0.856 5.526 4.470 0.033 -0.181 0.298 82 S C -0.564 174.058 174.600 0.038 0.000 1.119 82 S CA -0.541 57.679 58.200 0.034 0.000 1.085 82 S CB 1.533 64.747 63.200 0.022 0.000 1.028 82 S HN 0.281 8.616 8.310 0.042 0.000 0.489 83 R N 2.788 123.313 120.500 0.041 0.000 2.673 83 R HA 0.418 4.791 4.340 0.055 0.000 0.281 83 R C -1.531 174.797 176.300 0.047 0.000 0.991 83 R CA -2.576 53.554 56.100 0.049 0.000 0.896 83 R CB 4.103 34.432 30.300 0.047 0.000 1.201 83 R HN 0.498 8.793 8.270 0.041 0.000 0.457 84 R N 1.094 121.624 120.500 0.050 0.000 2.643 84 R HA 0.021 4.370 4.340 0.016 0.000 0.270 84 R C -0.465 175.864 176.300 0.047 0.000 1.061 84 R CA 1.063 57.176 56.100 0.022 0.000 1.107 84 R CB 0.973 31.234 30.300 -0.064 0.000 0.999 84 R HN 0.513 8.823 8.270 0.066 0.000 0.460 85 V N 1.591 121.531 119.914 0.043 0.000 2.364 85 V HA -0.023 4.119 4.120 0.036 0.000 0.272 85 V C -0.854 175.259 176.094 0.031 0.000 1.036 85 V CA -0.060 62.268 62.300 0.048 0.000 0.880 85 V CB -0.105 31.768 31.823 0.083 0.000 0.991 85 V HN -0.459 7.757 8.190 0.043 0.000 0.460 86 A N 7.870 130.698 122.820 0.014 0.000 1.975 86 A HA 0.116 4.446 4.320 0.017 0.000 0.215 86 A C -0.826 176.744 177.584 -0.023 0.000 1.170 86 A CA 1.458 53.502 52.037 0.011 0.000 0.656 86 A CB 1.049 20.070 19.000 0.036 0.000 0.821 86 A HN 0.536 8.685 8.150 -0.002 0.000 0.449 87 Q N -3.727 116.048 119.800 -0.043 0.000 2.309 87 Q HA 0.460 4.933 4.340 -0.083 -0.183 0.273 87 Q C -2.127 173.837 176.000 -0.059 0.000 1.040 87 Q CA -0.370 55.399 55.803 -0.056 0.000 0.834 87 Q CB 4.612 33.335 28.738 -0.024 0.000 1.345 87 Q HN -0.724 7.519 8.270 -0.044 0.000 0.414 88 V N 6.268 126.099 119.914 -0.140 0.000 2.376 88 V HA 0.234 4.364 4.120 -0.166 -0.110 0.287 88 V C -1.667 174.331 176.094 -0.159 0.000 1.015 88 V CA -1.061 61.112 62.300 -0.210 0.000 0.834 88 V CB 1.493 33.084 31.823 -0.386 0.000 1.001 88 V HN 0.476 8.446 8.190 -0.194 0.103 0.428 89 I N 7.712 128.258 120.570 -0.040 0.000 2.378 89 I HA 0.790 5.212 4.170 0.005 -0.248 0.291 89 I C -0.873 175.353 176.117 0.183 0.000 0.992 89 I CA -1.312 60.010 61.300 0.038 0.000 1.154 89 I CB 2.003 40.005 38.000 0.003 0.000 1.315 89 I HN 0.615 8.824 8.210 -0.002 0.000 0.448 90 I N 6.443 127.141 120.570 0.212 0.000 2.545 90 I HA 0.666 4.955 4.170 0.199 0.000 0.292 90 I C -2.281 174.013 176.117 0.294 0.000 1.040 90 I CA -3.778 57.645 61.300 0.206 0.000 1.068 90 I CB 4.480 42.532 38.000 0.088 0.000 1.251 90 I HN 0.610 8.919 8.210 0.165 0.000 0.424 91 P HA 0.344 5.040 4.420 0.192 -0.161 0.268 91 P C 1.034 178.358 177.300 0.039 0.000 1.205 91 P CA -0.583 62.467 63.100 -0.084 0.000 0.771 91 P CB 0.390 31.655 31.700 -0.724 0.000 0.858 92 S N 2.342 118.100 115.700 0.096 0.000 2.400 92 S HA -0.373 4.152 4.470 0.092 0.000 0.232 92 S C 1.367 175.966 174.600 -0.002 0.000 1.025 92 S CA 3.375 61.618 58.200 0.072 0.000 0.993 92 S CB -0.525 62.727 63.200 0.086 0.000 0.808 92 S HN 0.373 8.781 8.310 0.163 0.000 0.478 93 T N -1.202 113.279 114.554 -0.121 0.000 3.085 93 T HA -0.218 4.052 4.350 -0.134 0.000 0.263 93 T C -0.078 174.557 174.700 -0.108 0.000 1.127 93 T CA 0.934 62.893 62.100 -0.236 0.000 1.103 93 T CB -0.055 68.391 68.868 -0.704 0.000 0.921 93 T HN -0.295 7.808 8.240 -0.171 0.034 0.510 94 Y N 4.269 124.485 120.300 -0.140 0.000 2.442 94 Y HA -0.245 4.316 4.550 0.018 0.000 0.330 94 Y C -1.526 174.377 175.900 0.005 0.000 1.129 94 Y CA 1.333 59.417 58.100 -0.026 0.000 1.365 94 Y CB 0.579 39.026 38.460 -0.023 0.000 1.233 94 Y HN -0.772 7.514 8.280 0.063 0.032 0.529 95 V N 9.318 128.774 119.914 -0.763 0.000 2.357 95 V HA 0.402 4.289 4.120 -0.388 0.000 0.284 95 V C -2.042 173.508 176.094 -0.906 0.000 1.018 95 V CA -4.019 57.922 62.300 -0.598 0.000 0.841 95 V CB 1.366 33.011 31.823 -0.296 0.000 0.991 95 V HN 0.417 8.153 8.190 -0.756 0.000 0.437 96 P HA -0.355 4.098 4.420 -0.130 -0.110 0.264 96 P C 0.600 177.805 177.300 -0.159 0.000 1.183 96 P CA 0.727 63.702 63.100 -0.209 0.000 0.763 96 P CB 0.091 31.826 31.700 0.060 0.000 0.807 97 G N 3.731 112.494 108.800 -0.062 0.000 2.176 97 G HA2 -0.355 3.562 3.960 -0.072 0.000 0.253 97 G HA3 -0.355 3.584 3.960 -0.035 0.000 0.253 97 G C -0.348 174.467 174.900 -0.142 0.000 0.979 97 G CA 0.241 45.298 45.100 -0.072 0.000 0.641 97 G HN 0.222 8.761 8.290 0.044 -0.222 0.530 98 T N -1.425 113.004 114.554 -0.208 0.000 2.910 98 T HA 0.509 4.719 4.350 -0.234 0.000 0.287 98 T C -0.264 174.314 174.700 -0.203 0.000 1.050 98 T CA -2.222 59.739 62.100 -0.231 0.000 1.011 98 T CB 2.534 71.265 68.868 -0.228 0.000 1.195 98 T HN -0.542 7.472 8.240 -0.277 0.059 0.540 99 T N -4.596 109.800 114.554 -0.263 0.000 3.040 99 T HA -0.036 4.162 4.350 -0.254 0.000 0.252 99 T C -0.286 174.393 174.700 -0.035 0.000 1.064 99 T CA 1.307 63.233 62.100 -0.291 0.000 1.110 99 T CB 0.724 69.118 68.868 -0.790 0.000 0.921 99 T HN -0.063 8.006 8.240 -0.285 0.000 0.480 100 N N 1.569 120.251 118.700 -0.030 0.000 2.508 100 N HA -0.172 4.561 4.740 -0.011 0.000 0.264 100 N C -0.498 175.073 175.510 0.103 0.000 1.216 100 N CA 0.819 53.859 53.050 -0.017 0.000 0.943 100 N CB 0.764 39.211 38.487 -0.067 0.000 1.113 100 N HN -0.408 7.926 8.380 -0.077 0.000 0.447 101 H N -3.813 115.289 119.070 0.052 0.000 2.819 101 H HA -0.313 4.184 4.556 -0.098 0.000 0.315 101 H C -1.008 174.252 175.328 -0.113 0.000 1.242 101 H CA 1.053 57.044 56.048 -0.096 0.000 1.157 101 H CB -2.090 27.532 29.762 -0.233 0.000 1.451 101 H HN 0.632 8.757 8.280 -0.259 0.000 0.430 102 D N -0.515 119.896 120.400 0.019 0.000 2.558 102 D HA 0.097 4.674 4.640 -0.105 0.000 0.221 102 D C -1.855 174.350 176.300 -0.158 0.000 1.143 102 D CA -0.175 53.812 54.000 -0.021 0.000 1.010 102 D CB -0.831 40.070 40.800 0.169 0.000 1.068 102 D HN 0.158 8.558 8.370 0.051 0.000 0.511 103 I N 1.884 122.262 120.570 -0.321 0.000 2.827 103 I HA 0.595 4.835 4.170 -0.149 -0.160 0.298 103 I C -3.102 172.924 176.117 -0.151 0.000 1.235 103 I CA -1.757 59.373 61.300 -0.282 0.000 1.021 103 I CB 4.376 42.008 38.000 -0.612 0.000 1.259 103 I HN -0.520 7.423 8.210 -0.388 0.034 0.427 104 A N 5.616 128.458 122.820 0.037 0.000 2.455 104 A HA 0.876 5.481 4.320 0.149 -0.196 0.300 104 A C -2.804 174.894 177.584 0.189 0.000 1.040 104 A CA -1.723 50.396 52.037 0.136 0.000 0.697 104 A CB 4.020 23.127 19.000 0.179 0.000 1.265 104 A HN 0.262 8.449 8.150 0.062 0.000 0.407 105 L N 3.567 124.908 121.223 0.198 0.000 2.305 105 L HA 0.752 5.368 4.340 0.222 -0.143 0.284 105 L C -2.315 174.692 176.870 0.228 0.000 1.013 105 L CA -1.335 53.624 54.840 0.198 0.000 0.819 105 L CB 3.285 45.383 42.059 0.065 0.000 1.227 105 L HN 0.230 8.581 8.230 0.201 0.000 0.417 106 L N 7.266 128.658 121.223 0.281 0.000 2.307 106 L HA 0.684 5.311 4.340 0.113 -0.220 0.284 106 L C -1.340 175.642 176.870 0.187 0.000 1.023 106 L CA -1.371 53.581 54.840 0.187 0.000 0.810 106 L CB 2.179 44.320 42.059 0.136 0.000 1.231 106 L HN 1.037 9.453 8.230 0.309 0.000 0.423 107 R N 3.870 124.333 120.500 -0.062 0.000 2.294 107 R HA 0.536 4.512 4.340 -0.879 -0.163 0.319 107 R C -1.083 175.051 176.300 -0.276 0.000 0.984 107 R CA -1.692 54.086 56.100 -0.536 0.000 0.861 107 R CB 1.999 31.851 30.300 -0.746 0.000 1.104 107 R HN 0.118 8.374 8.270 -0.022 0.000 0.451 108 L N 5.205 126.259 121.223 -0.281 0.000 2.417 108 L HA 0.005 4.447 4.340 -0.048 -0.131 0.268 108 L C 0.033 176.841 176.870 -0.103 0.000 1.158 108 L CA 0.049 54.817 54.840 -0.121 0.000 0.819 108 L CB 0.434 42.444 42.059 -0.081 0.000 1.112 108 L HN 0.417 8.423 8.230 -0.374 0.000 0.458 109 H N 2.824 121.829 119.070 -0.107 0.000 2.423 109 H HA -0.273 4.222 4.556 -0.102 0.000 0.297 109 H C -0.259 175.019 175.328 -0.084 0.000 1.075 109 H CA 2.073 58.068 56.048 -0.089 0.000 1.342 109 H CB 0.887 30.619 29.762 -0.049 0.000 1.395 109 H HN 0.303 8.657 8.280 0.124 0.000 0.530 110 Q N -2.820 116.918 119.800 -0.103 0.000 2.421 110 Q HA 0.331 4.558 4.340 -0.190 0.000 0.280 110 Q C -2.859 173.091 176.000 -0.083 0.000 1.085 110 Q CA -3.137 52.587 55.803 -0.131 0.000 0.807 110 Q CB 2.715 31.408 28.738 -0.075 0.000 1.405 110 Q HN -0.263 7.999 8.270 -0.013 0.000 0.419 111 P HA 0.002 4.538 4.420 -0.062 -0.153 0.272 111 P C -0.317 176.976 177.300 -0.011 0.000 1.223 111 P CA -0.816 62.255 63.100 -0.049 0.000 0.784 111 P CB 0.501 32.180 31.700 -0.036 0.000 0.923 112 V N -1.544 118.377 119.914 0.012 0.000 3.003 112 V HA 0.129 4.340 4.120 0.031 -0.073 0.305 112 V C -0.325 175.790 176.094 0.036 0.000 1.078 112 V CA -1.324 60.996 62.300 0.033 0.000 1.083 112 V CB 0.419 32.275 31.823 0.056 0.000 1.039 112 V HN -0.095 8.103 8.190 0.013 0.000 0.481 113 V N 3.312 123.250 119.914 0.040 0.000 2.383 113 V HA -0.017 4.124 4.120 0.035 0.000 0.275 113 V C -0.813 175.311 176.094 0.050 0.000 1.036 113 V CA -1.077 61.246 62.300 0.039 0.000 0.889 113 V CB 0.678 32.520 31.823 0.033 0.000 0.985 113 V HN -0.029 8.540 8.190 0.041 -0.354 0.459 114 L N 7.723 128.977 121.223 0.052 0.000 2.453 114 L HA 0.059 4.600 4.340 0.065 -0.161 0.272 114 L C 0.323 177.221 176.870 0.048 0.000 1.182 114 L CA 0.547 55.421 54.840 0.057 0.000 0.858 114 L CB -0.044 42.052 42.059 0.062 0.000 1.120 114 L HN 0.255 8.514 8.230 0.049 0.000 0.474 115 T N 0.831 115.413 114.554 0.047 0.000 2.754 115 T HA 0.218 4.589 4.350 0.036 0.000 0.296 115 T C 0.407 175.107 174.700 -0.000 0.000 1.205 115 T CA -1.895 60.230 62.100 0.042 0.000 1.009 115 T CB 2.330 71.246 68.868 0.081 0.000 1.368 115 T HN 0.153 8.423 8.240 0.049 0.000 0.509 116 D N -0.999 119.377 120.400 -0.039 0.000 2.221 116 D HA -0.210 4.329 4.640 -0.168 0.000 0.204 116 D C 0.393 176.457 176.300 -0.393 0.000 0.982 116 D CA 2.739 56.612 54.000 -0.212 0.000 0.857 116 D CB -0.267 40.362 40.800 -0.284 0.000 0.934 116 D HN 0.454 8.824 8.370 0.000 0.000 0.475 117 H N -4.849 114.189 119.070 -0.052 0.000 2.705 117 H HA 0.189 4.683 4.556 -0.104 0.000 0.269 117 H C -1.062 174.234 175.328 -0.053 0.000 0.998 117 H CA 0.394 56.400 56.048 -0.070 0.000 1.193 117 H CB 1.348 31.076 29.762 -0.055 0.000 1.485 117 H HN -0.525 7.757 8.280 0.070 0.039 0.521 118 V N 1.104 121.048 119.914 0.050 0.000 2.462 118 V HA 0.241 4.566 4.120 0.060 -0.169 0.288 118 V C -1.853 174.282 176.094 0.068 0.000 1.020 118 V CA -0.876 61.462 62.300 0.063 0.000 0.857 118 V CB 1.403 33.276 31.823 0.085 0.000 1.013 118 V HN -0.724 7.380 8.190 0.037 0.108 0.431 119 V N 7.715 127.686 119.914 0.095 0.000 2.808 119 V HA 0.406 4.617 4.120 0.151 0.000 0.308 119 V C -2.880 173.417 176.094 0.339 0.000 1.099 119 V CA -3.594 58.812 62.300 0.176 0.000 0.920 119 V CB 4.109 36.023 31.823 0.151 0.000 1.014 119 V HN -0.192 7.946 8.190 0.087 0.104 0.425 120 P HA 0.100 4.838 4.420 0.326 -0.122 0.277 120 P C -1.785 175.681 177.300 0.277 0.000 1.240 120 P CA -1.016 62.262 63.100 0.297 0.000 0.798 120 P CB 0.856 32.669 31.700 0.187 0.000 0.979 121 L N 0.718 121.986 121.223 0.076 0.000 2.350 121 L HA 0.134 4.038 4.340 -0.727 0.000 0.275 121 L C -0.096 176.675 176.870 -0.165 0.000 1.099 121 L CA -0.847 53.746 54.840 -0.412 0.000 0.808 121 L CB 1.726 43.375 42.059 -0.684 0.000 1.149 121 L HN 0.326 8.646 8.230 0.149 0.000 0.442 122 C N 6.258 125.426 119.300 -0.221 0.000 2.629 122 C HA -0.040 4.418 4.460 -0.003 0.000 0.410 122 C C -0.656 174.396 174.990 0.104 0.000 1.339 122 C CA 1.059 60.042 59.018 -0.058 0.000 1.810 122 C CB -1.475 26.161 27.740 -0.173 0.000 2.549 122 C HN 0.127 8.139 8.230 -0.363 0.000 0.589 123 L N 6.604 127.909 121.223 0.136 0.000 2.325 123 L HA 0.280 4.730 4.340 0.183 0.000 0.284 123 L C -1.875 175.130 176.870 0.224 0.000 1.089 123 L CA -2.388 52.556 54.840 0.172 0.000 0.836 123 L CB 0.819 42.953 42.059 0.125 0.000 1.184 123 L HN 0.356 8.651 8.230 0.109 0.000 0.444 124 P HA 0.170 4.779 4.420 0.315 0.000 0.276 124 P C -0.922 176.481 177.300 0.172 0.000 1.252 124 P CA -1.118 62.147 63.100 0.274 0.000 0.802 124 P CB 0.809 32.654 31.700 0.242 0.000 1.035 125 E N 0.458 120.742 120.200 0.140 0.000 2.415 125 E HA -0.231 4.169 4.350 0.083 0.000 0.262 125 E C 1.070 177.730 176.600 0.101 0.000 1.038 125 E CA 0.398 56.856 56.400 0.097 0.000 0.921 125 E CB 0.562 30.293 29.700 0.052 0.000 0.950 125 E HN 0.123 8.556 8.360 0.121 0.000 0.438 126 R N 4.584 125.125 120.500 0.069 0.000 2.083 126 R HA -0.408 3.957 4.340 0.042 0.000 0.237 126 R C 1.529 177.834 176.300 0.008 0.000 1.137 126 R CA 4.670 60.795 56.100 0.041 0.000 0.951 126 R CB -0.201 30.124 30.300 0.041 0.000 0.851 126 R HN 0.784 9.093 8.270 0.065 0.000 0.434 127 T N -4.777 109.788 114.554 0.019 0.000 2.684 127 T HA -0.280 4.055 4.350 -0.025 0.000 0.267 127 T C -0.262 174.436 174.700 -0.004 0.000 1.036 127 T CA 2.608 64.708 62.100 -0.001 0.000 1.148 127 T CB -0.912 67.961 68.868 0.008 0.000 0.863 127 T HN -0.069 8.189 8.240 0.030 0.000 0.436 128 F N 1.581 121.441 119.950 -0.150 0.000 2.553 128 F HA 0.038 4.420 4.527 -0.241 0.000 0.356 128 F C -0.203 175.432 175.800 -0.276 0.000 1.142 128 F CA 1.214 59.073 58.000 -0.236 0.000 1.322 128 F CB 0.493 39.333 39.000 -0.267 0.000 1.126 128 F HN -0.533 7.869 8.300 0.170 0.000 0.599 135 F N -0.683 119.266 119.950 -0.001 0.000 2.422 135 F HA 0.612 5.350 4.527 0.016 -0.202 0.333 135 F C -0.653 175.155 175.800 0.013 0.000 1.095 135 F CA -0.677 57.334 58.000 0.020 0.000 1.038 135 F CB 2.560 41.590 39.000 0.052 0.000 1.156 135 F HN -0.401 8.074 8.300 0.291 0.000 0.483 136 S N -0.444 115.342 115.700 0.143 0.000 2.618 136 S HA 0.478 5.096 4.470 0.152 -0.057 0.277 136 S C -1.954 172.654 174.600 0.013 0.000 1.138 136 S CA -0.913 57.282 58.200 -0.009 0.000 0.844 136 S CB 3.563 66.442 63.200 -0.534 0.000 1.127 136 S HN 0.208 8.602 8.310 0.140 0.000 0.474 137 L N 2.001 123.266 121.223 0.070 0.000 2.295 137 L HA 0.708 5.303 4.340 0.095 -0.198 0.285 137 L C -0.787 176.094 176.870 0.018 0.000 1.035 137 L CA -1.023 53.860 54.840 0.071 0.000 0.806 137 L CB 1.304 43.401 42.059 0.063 0.000 1.214 137 L HN 0.398 8.723 8.230 0.159 0.000 0.426 138 V N -0.972 118.984 119.914 0.071 0.000 2.715 138 V HA 1.207 5.668 4.120 0.151 -0.251 0.310 138 V C -1.264 174.888 176.094 0.096 0.000 1.054 138 V CA -3.485 58.896 62.300 0.135 0.000 0.928 138 V CB 2.690 34.657 31.823 0.240 0.000 1.007 138 V HN 0.574 8.818 8.190 0.090 0.000 0.437 139 S N 1.385 117.135 115.700 0.083 0.000 2.579 139 S HA 0.853 5.434 4.470 -0.043 -0.137 0.272 139 S C -1.348 173.217 174.600 -0.058 0.000 1.141 139 S CA -1.534 56.651 58.200 -0.025 0.000 0.843 139 S CB 3.215 66.364 63.200 -0.085 0.000 1.122 139 S HN -0.332 8.052 8.310 0.124 0.000 0.468 140 G N -0.876 107.801 108.800 -0.205 0.000 2.320 140 G HA2 0.100 4.175 3.960 -0.029 0.000 0.297 140 G HA3 0.100 3.854 3.960 -0.343 0.000 0.297 140 G C -2.159 172.570 174.900 -0.285 0.000 1.344 140 G CA 0.460 45.427 45.100 -0.221 0.000 0.851 140 G HN 0.049 8.181 8.290 -0.264 0.000 0.567 141 W N 1.197 122.511 121.300 0.022 0.000 3.151 141 W HA 0.335 4.991 4.660 -0.006 0.000 0.424 141 W C -0.028 176.495 176.519 0.006 0.000 1.012 141 W CA -0.806 56.540 57.345 0.002 0.000 2.018 141 W CB -0.089 29.365 29.460 -0.010 0.000 1.087 141 W HN 0.516 8.930 8.180 0.389 0.000 0.740 142 G N -0.973 107.930 108.800 0.171 0.000 2.570 142 G HA2 -0.091 4.001 3.960 0.100 0.000 0.276 142 G HA3 -0.091 3.943 3.960 0.124 0.000 0.276 142 G C -1.907 173.045 174.900 0.086 0.000 1.346 142 G CA -1.199 43.971 45.100 0.118 0.000 1.034 142 G HN -0.274 8.349 8.290 0.128 -0.256 0.512 143 Q N -1.761 118.078 119.800 0.065 0.000 2.315 143 Q HA -0.295 4.241 4.340 0.047 -0.167 0.289 143 Q C 0.625 176.650 176.000 0.042 0.000 1.044 143 Q CA 1.556 57.388 55.803 0.048 0.000 0.920 143 Q CB -0.494 28.267 28.738 0.038 0.000 1.214 143 Q HN 0.274 8.582 8.270 0.063 0.000 0.392 144 L N 1.540 122.783 121.223 0.034 0.000 2.418 144 L HA -0.047 4.537 4.340 0.026 -0.229 0.218 144 L C -0.061 176.822 176.870 0.021 0.000 1.125 144 L CA 0.760 55.616 54.840 0.026 0.000 0.835 144 L CB 0.611 42.683 42.059 0.021 0.000 0.953 144 L HN -0.052 8.198 8.230 0.034 0.000 0.454 145 L N -6.389 114.847 121.223 0.021 0.000 2.466 145 L HA 0.170 4.520 4.340 0.016 0.000 0.258 145 L C -1.790 175.090 176.870 0.017 0.000 0.973 145 L CA -1.695 53.155 54.840 0.017 0.000 0.826 145 L CB 3.937 46.004 42.059 0.012 0.000 1.372 145 L HN -0.783 7.424 8.230 0.023 0.037 0.409 146 D N 0.866 121.275 120.400 0.015 0.000 2.493 146 D HA -0.143 4.505 4.640 0.014 0.000 0.240 146 D C 0.240 176.546 176.300 0.010 0.000 1.142 146 D CA 1.628 55.635 54.000 0.012 0.000 0.872 146 D CB 0.330 41.135 40.800 0.008 0.000 1.173 146 D HN 0.257 8.636 8.370 0.014 0.000 0.467 150 A N -0.079 122.751 122.820 0.017 0.000 2.386 150 A HA 0.217 4.548 4.320 0.018 0.000 0.248 150 A C 0.288 177.890 177.584 0.031 0.000 1.082 150 A CA -0.036 52.013 52.037 0.020 0.000 0.789 150 A CB 0.637 19.647 19.000 0.017 0.000 1.025 150 A HN 0.146 8.305 8.150 0.015 0.000 0.490 151 T N -2.200 112.377 114.554 0.039 0.000 2.828 151 T HA -0.126 4.412 4.350 0.066 -0.149 0.290 151 T C -0.048 174.696 174.700 0.074 0.000 1.019 151 T CA -0.872 61.266 62.100 0.063 0.000 1.031 151 T CB 1.083 69.994 68.868 0.072 0.000 1.001 151 T HN -0.159 8.101 8.240 0.033 0.000 0.531 152 A N 2.579 125.465 122.820 0.110 0.000 2.388 152 A HA 0.100 4.465 4.320 0.075 0.000 0.257 152 A C -0.348 177.343 177.584 0.179 0.000 1.095 152 A CA -0.102 52.004 52.037 0.116 0.000 0.791 152 A CB 0.826 19.880 19.000 0.090 0.000 1.029 152 A HN -0.296 7.930 8.150 0.127 0.000 0.489 153 L N 1.050 122.343 121.223 0.117 0.000 2.307 153 L HA -0.004 4.394 4.340 0.096 0.000 0.211 153 L C -0.296 176.667 176.870 0.155 0.000 1.099 153 L CA 1.199 56.101 54.840 0.104 0.000 0.816 153 L CB 0.614 42.693 42.059 0.034 0.000 0.952 153 L HN 0.281 8.557 8.230 0.076 0.000 0.455 154 E N -2.984 117.266 120.200 0.085 0.000 2.191 154 E HA 0.360 4.823 4.350 -0.133 -0.193 0.274 154 E C -0.593 175.919 176.600 -0.147 0.000 0.948 154 E CA -1.998 54.353 56.400 -0.082 0.000 0.802 154 E CB 1.977 31.568 29.700 -0.181 0.000 1.137 154 E HN -0.789 7.605 8.360 0.055 0.000 0.397 155 L N 4.078 125.083 121.223 -0.363 0.000 2.559 155 L HA -0.141 3.344 4.340 -1.424 0.000 0.274 155 L C -1.179 175.450 176.870 -0.401 0.000 1.205 155 L CA 0.905 55.268 54.840 -0.795 0.000 0.907 155 L CB 0.570 42.202 42.059 -0.712 0.000 1.153 155 L HN -0.162 7.870 8.230 -0.330 0.000 0.490 156 M N 6.577 125.949 119.600 -0.379 0.000 2.537 156 M HA 0.693 5.243 4.480 -0.138 -0.153 0.324 156 M C -1.537 174.668 176.300 -0.158 0.000 1.187 156 M CA -2.311 52.878 55.300 -0.185 0.000 0.993 156 M CB 2.026 34.560 32.600 -0.110 0.000 1.666 156 M HN 0.034 8.035 8.290 -0.482 0.000 0.461 157 V N 0.761 120.624 119.914 -0.085 0.000 2.925 157 V HA 0.916 5.195 4.120 -0.042 -0.185 0.311 157 V C -2.888 173.210 176.094 0.006 0.000 1.104 157 V CA -2.797 59.474 62.300 -0.048 0.000 0.954 157 V CB 4.513 36.292 31.823 -0.073 0.000 1.022 157 V HN 0.666 8.815 8.190 -0.067 0.000 0.427 158 L N 4.465 125.719 121.223 0.051 0.000 2.455 158 L HA 0.456 4.848 4.340 0.088 0.000 0.264 158 L C -2.771 174.188 176.870 0.149 0.000 0.968 158 L CA -0.616 54.286 54.840 0.103 0.000 0.827 158 L CB 4.355 46.494 42.059 0.134 0.000 1.317 158 L HN 0.422 8.685 8.230 0.055 0.000 0.407 159 N N 5.636 124.448 118.700 0.188 0.000 2.408 159 N HA 0.316 5.371 4.740 0.247 -0.166 0.257 159 N C -1.519 174.254 175.510 0.438 0.000 1.064 159 N CA 0.046 53.260 53.050 0.273 0.000 0.952 159 N CB 0.918 39.526 38.487 0.202 0.000 1.093 159 N HN 0.203 8.682 8.380 0.164 0.000 0.490 160 V N 0.978 121.113 119.914 0.369 0.000 2.680 160 V HA 0.653 4.975 4.120 0.338 0.000 0.309 160 V C -2.816 173.262 176.094 -0.026 0.000 1.052 160 V CA -5.130 57.320 62.300 0.250 0.000 0.908 160 V CB 1.852 33.785 31.823 0.182 0.000 1.001 160 V HN 0.700 9.056 8.190 0.276 0.000 0.431 161 P HA 0.585 4.617 4.420 -1.004 -0.215 0.288 161 P C -1.234 175.839 177.300 -0.378 0.000 1.267 161 P CA -1.527 61.104 63.100 -0.781 0.000 0.815 161 P CB 1.548 32.636 31.700 -1.021 0.000 0.989 162 R N 2.816 123.128 120.500 -0.313 0.000 2.404 162 R HA 0.282 4.705 4.340 -0.089 -0.136 0.291 162 R C -0.488 175.668 176.300 -0.241 0.000 1.025 162 R CA -0.637 55.348 56.100 -0.191 0.000 0.991 162 R CB 1.576 31.740 30.300 -0.226 0.000 1.053 162 R HN -0.148 7.899 8.270 -0.372 0.000 0.479 163 L N 4.836 125.928 121.223 -0.218 0.000 2.342 163 L HA 0.310 4.500 4.340 -0.251 0.000 0.271 163 L C -0.685 176.072 176.870 -0.188 0.000 1.008 163 L CA -0.707 53.977 54.840 -0.260 0.000 0.818 163 L CB 3.047 44.848 42.059 -0.430 0.000 1.296 163 L HN 0.199 8.336 8.230 -0.155 0.000 0.427 164 M N 2.311 121.808 119.600 -0.172 0.000 2.245 164 M HA -0.107 4.298 4.480 -0.124 0.000 0.344 164 M C 1.099 177.324 176.300 -0.125 0.000 1.170 164 M CA 1.229 56.449 55.300 -0.132 0.000 1.135 164 M CB 1.070 33.601 32.600 -0.115 0.000 1.574 164 M HN 0.302 8.488 8.290 -0.173 0.000 0.452 165 T N 5.608 120.110 114.554 -0.088 0.000 2.746 165 T HA -0.423 3.876 4.350 -0.086 0.000 0.267 165 T C 1.600 176.258 174.700 -0.070 0.000 1.039 165 T CA 4.739 66.796 62.100 -0.071 0.000 1.142 165 T CB -0.172 68.675 68.868 -0.035 0.000 0.866 165 T HN 0.224 8.419 8.240 -0.076 0.000 0.444 166 Q N 0.181 119.943 119.800 -0.063 0.000 2.124 166 Q HA -0.235 4.083 4.340 -0.036 0.000 0.202 166 Q C 1.770 177.733 176.000 -0.061 0.000 0.977 166 Q CA 3.429 59.202 55.803 -0.050 0.000 0.850 166 Q CB -0.663 28.049 28.738 -0.043 0.000 0.901 166 Q HN 0.304 8.537 8.270 -0.063 0.000 0.429 167 D N -1.934 118.412 120.400 -0.090 0.000 2.117 167 D HA -0.301 4.294 4.640 -0.075 0.000 0.198 167 D C 1.784 177.993 176.300 -0.152 0.000 0.982 167 D CA 2.843 56.779 54.000 -0.108 0.000 0.828 167 D CB -0.566 40.156 40.800 -0.129 0.000 0.967 167 D HN -0.605 7.707 8.370 -0.097 0.000 0.464 168 c N -0.543 117.923 118.600 -0.223 0.000 2.413 168 c HA -0.380 3.876 4.570 -0.522 0.000 0.276 168 c C -0.259 173.782 174.090 -0.082 0.000 1.236 168 c CA 1.886 58.034 56.329 -0.301 0.000 1.735 168 c CB -0.812 41.512 42.510 -0.310 0.000 2.031 168 c HN -0.254 7.850 8.230 -0.211 0.000 0.474 169 L N 0.596 121.794 121.223 -0.041 0.000 2.456 169 L HA -0.038 4.324 4.340 0.036 0.000 0.272 169 L C -0.124 176.756 176.870 0.017 0.000 1.189 169 L CA 0.506 55.353 54.840 0.011 0.000 0.846 169 L CB -1.021 41.044 42.059 0.011 0.000 1.111 169 L HN -0.302 7.894 8.230 -0.056 0.000 0.475 176 I N 2.007 122.699 120.570 0.204 0.000 2.291 176 I HA -0.035 4.315 4.170 0.301 0.000 0.292 176 I C 0.215 176.402 176.117 0.116 0.000 1.064 176 I CA -0.343 61.079 61.300 0.203 0.000 1.269 176 I CB 0.245 38.322 38.000 0.128 0.000 1.418 176 I HN -0.000 8.307 8.210 0.163 0.000 0.485 177 T N 3.443 118.071 114.554 0.123 0.000 2.884 177 T HA 0.192 4.575 4.350 0.055 0.000 0.277 177 T C 1.033 175.733 174.700 0.001 0.000 0.976 177 T CA -1.949 60.196 62.100 0.074 0.000 0.956 177 T CB 2.611 71.556 68.868 0.128 0.000 1.113 177 T HN -0.415 7.925 8.240 0.166 0.000 0.554 178 E N -0.195 119.930 120.200 -0.124 0.000 2.409 178 E HA -0.218 4.015 4.350 -0.196 0.000 0.198 178 E C -0.413 175.918 176.600 -0.449 0.000 1.024 178 E CA 2.200 58.411 56.400 -0.315 0.000 0.861 178 E CB -1.397 28.019 29.700 -0.474 0.000 0.788 178 E HN 0.521 8.816 8.360 -0.108 0.000 0.521 179 Y N -2.885 117.402 120.300 -0.023 0.000 2.532 179 Y HA 0.098 4.654 4.550 0.010 0.000 0.283 179 Y C -1.218 174.729 175.900 0.079 0.000 1.181 179 Y CA -0.013 58.084 58.100 -0.005 0.000 1.256 179 Y CB -0.236 38.132 38.460 -0.153 0.000 1.112 179 Y HN -0.898 7.304 8.280 -0.049 0.048 0.521 180 M N -1.617 118.069 119.600 0.143 0.000 2.631 180 M HA 0.826 5.525 4.480 0.058 -0.184 0.288 180 M C -2.053 174.319 176.300 0.120 0.000 1.260 180 M CA -1.012 54.342 55.300 0.091 0.000 0.842 180 M CB 5.307 37.961 32.600 0.091 0.000 1.743 180 M HN -0.533 7.731 8.290 0.085 0.076 0.461 181 F N -5.008 114.929 119.950 -0.022 0.000 2.645 181 F HA 0.685 5.158 4.527 -0.089 0.000 0.310 181 F C -2.374 173.384 175.800 -0.070 0.000 1.102 181 F CA -2.003 55.951 58.000 -0.077 0.000 0.952 181 F CB 2.666 41.596 39.000 -0.117 0.000 1.326 181 F HN 0.469 8.515 8.300 -0.422 0.000 0.456 182 c N -0.145 118.500 118.600 0.075 0.000 2.370 182 c HA 0.913 5.647 4.570 -0.058 -0.198 0.354 182 c C -1.032 173.127 174.090 0.115 0.000 1.218 182 c CA -1.296 55.021 56.329 -0.020 0.000 2.154 182 c CB 1.610 43.996 42.510 -0.208 0.000 2.391 182 c HN 0.806 9.096 8.230 0.099 0.000 0.540 183 A N 2.941 125.869 122.820 0.179 0.000 2.547 183 A HA 0.676 5.154 4.320 0.008 -0.153 0.279 183 A C -2.300 175.440 177.584 0.260 0.000 1.088 183 A CA -0.215 51.904 52.037 0.137 0.000 0.796 183 A CB 2.534 21.595 19.000 0.103 0.000 1.308 183 A HN 0.373 8.685 8.150 0.270 0.000 0.415 184 Y N 3.264 123.673 120.300 0.182 0.000 2.352 184 Y HA 0.123 4.744 4.550 0.118 0.000 0.326 184 Y C 0.118 175.752 175.900 -0.444 0.000 1.166 184 Y CA -0.344 57.750 58.100 -0.010 0.000 1.182 184 Y CB 2.598 41.081 38.460 0.037 0.000 1.216 184 Y HN -0.175 8.259 8.280 0.257 0.000 0.474 185 S N 0.429 115.871 115.700 -0.429 0.000 2.577 185 S HA 0.046 4.309 4.470 -0.637 -0.175 0.219 185 S C 0.426 174.921 174.600 -0.175 0.000 0.962 185 S CA -0.520 57.366 58.200 -0.524 0.000 0.921 185 S CB 0.519 63.355 63.200 -0.608 0.000 0.789 185 S HN 0.418 8.597 8.310 -0.219 0.000 0.497 186 D N -0.186 120.183 120.400 -0.050 0.000 2.340 186 D HA -0.055 4.568 4.640 -0.029 0.000 0.217 186 D C -0.259 176.028 176.300 -0.021 0.000 1.081 186 D CA -0.930 53.058 54.000 -0.020 0.000 0.842 186 D CB -0.587 40.218 40.800 0.009 0.000 0.934 186 D HN -0.026 8.292 8.370 0.008 0.057 0.511 187 G N -0.503 108.284 108.800 -0.021 0.000 2.401 187 G HA2 -0.401 3.554 3.960 -0.008 0.000 0.283 187 G HA3 -0.401 3.632 3.960 -0.003 -0.075 0.283 187 G C 0.077 174.972 174.900 -0.009 0.000 1.117 187 G CA 0.243 45.338 45.100 -0.009 0.000 1.051 187 G HN -0.217 8.000 8.290 -0.031 0.054 0.510 188 K N 0.303 120.705 120.400 0.002 0.000 2.511 188 K HA -0.255 4.344 4.320 0.051 -0.248 0.277 188 K C -0.750 175.971 176.600 0.202 0.000 1.025 188 K CA 0.896 57.225 56.287 0.070 0.000 1.112 188 K CB 0.142 32.629 32.500 -0.020 0.000 0.859 188 K HN -0.321 7.951 8.250 0.037 0.000 0.485 189 D N 2.841 123.343 120.400 0.170 0.000 2.694 189 D HA 0.261 5.047 4.640 0.243 0.000 0.260 189 D C -2.063 174.331 176.300 0.157 0.000 1.250 189 D CA -0.543 53.566 54.000 0.182 0.000 0.763 189 D CB 4.288 45.160 40.800 0.119 0.000 1.311 189 D HN -0.110 8.341 8.370 0.135 0.000 0.420 190 S N -1.124 114.682 115.700 0.177 0.000 2.655 190 S HA 0.263 4.808 4.470 0.125 0.000 0.265 190 S C -0.928 173.712 174.600 0.068 0.000 1.240 190 S CA -0.051 58.229 58.200 0.133 0.000 0.986 190 S CB 1.403 64.713 63.200 0.184 0.000 0.985 190 S HN 0.168 8.611 8.310 0.222 0.000 0.562 191 c N -2.450 116.186 118.600 0.060 0.000 3.259 191 c HA 0.428 5.017 4.570 0.031 0.000 0.328 191 c C 1.084 175.206 174.090 0.052 0.000 1.425 191 c CA -0.843 55.513 56.329 0.045 0.000 1.465 191 c CB 4.384 46.923 42.510 0.048 0.000 1.890 191 c HN 0.007 8.543 8.230 0.072 -0.262 0.450 192 K N 2.653 123.083 120.400 0.051 0.000 2.097 192 K HA -0.193 4.179 4.320 0.087 0.000 0.206 192 K C 2.563 179.213 176.600 0.083 0.000 1.049 192 K CA 2.887 59.217 56.287 0.072 0.000 0.933 192 K CB -0.569 31.966 32.500 0.058 0.000 0.717 192 K HN 0.450 8.725 8.250 0.042 0.000 0.442 193 G N -1.680 107.163 108.800 0.072 0.000 2.559 193 G HA2 -0.142 3.867 3.960 0.082 0.000 0.216 193 G HA3 -0.142 3.857 3.960 0.065 0.000 0.216 193 G C 0.029 174.992 174.900 0.104 0.000 1.126 193 G CA 1.219 46.367 45.100 0.079 0.000 0.778 193 G HN 0.079 8.763 8.290 0.065 -0.355 0.543 194 D N -0.240 120.220 120.400 0.101 0.000 2.349 194 D HA 0.052 4.771 4.640 0.132 0.000 0.215 194 D C -0.193 176.172 176.300 0.109 0.000 1.016 194 D CA 0.661 54.729 54.000 0.113 0.000 0.870 194 D CB 0.464 41.327 40.800 0.105 0.000 0.917 194 D HN -0.197 7.965 8.370 0.091 0.263 0.524 195 S N -0.119 115.637 115.700 0.093 0.000 2.573 195 S HA -0.637 4.051 4.470 0.123 -0.144 0.297 195 S C 0.856 175.466 174.600 0.017 0.000 1.280 195 S CA 2.588 60.838 58.200 0.083 0.000 1.061 195 S CB 0.137 63.391 63.200 0.089 0.000 0.812 195 S HN -0.567 7.642 8.310 0.096 0.159 0.500 196 G N 4.450 113.269 108.800 0.031 0.000 2.253 196 G HA2 -0.448 3.647 3.960 0.007 0.000 0.251 196 G HA3 -0.448 3.604 3.960 0.043 -0.067 0.251 196 G C -0.162 174.817 174.900 0.132 0.000 0.998 196 G CA 0.107 45.235 45.100 0.046 0.000 0.621 196 G HN 0.685 9.014 8.290 0.065 0.000 0.524 197 G N 1.198 110.090 108.800 0.154 0.000 2.634 197 G HA2 0.254 4.322 3.960 0.180 0.000 0.255 197 G HA3 0.254 4.332 3.960 0.196 0.000 0.255 197 G C -2.511 172.527 174.900 0.229 0.000 1.205 197 G CA -1.836 43.378 45.100 0.190 0.000 0.884 197 G HN -0.264 8.037 8.290 0.141 0.074 0.549 198 P HA -0.023 4.551 4.420 0.257 0.000 0.275 198 P C -1.808 175.668 177.300 0.292 0.000 1.227 198 P CA -0.533 62.721 63.100 0.257 0.000 0.781 198 P CB 1.139 32.992 31.700 0.256 0.000 0.906 199 H N 5.407 124.592 119.070 0.192 0.000 2.638 199 H HA 0.521 5.336 4.556 0.118 -0.188 0.303 199 H C -2.084 173.345 175.328 0.169 0.000 1.034 199 H CA -1.778 54.354 56.048 0.141 0.000 1.225 199 H CB 1.708 31.510 29.762 0.066 0.000 1.394 199 H HN 0.024 8.544 8.280 0.399 0.000 0.477 200 A N 8.042 130.884 122.820 0.036 0.000 2.318 200 A HA 0.854 5.463 4.320 0.180 -0.181 0.324 200 A C -1.798 175.982 177.584 0.326 0.000 1.170 200 A CA -2.003 50.145 52.037 0.185 0.000 0.810 200 A CB 3.008 22.116 19.000 0.179 0.000 1.198 200 A HN 0.841 8.970 8.150 -0.035 0.000 0.484 201 T N 5.674 120.437 114.554 0.347 0.000 2.812 201 T HA 0.341 4.809 4.350 0.196 0.000 0.282 201 T C -1.673 173.094 174.700 0.113 0.000 0.990 201 T CA -0.833 61.396 62.100 0.214 0.000 0.960 201 T CB 2.343 71.263 68.868 0.087 0.000 0.948 201 T HN 0.286 8.723 8.240 0.328 0.000 0.438 202 H N 8.055 126.849 119.070 -0.459 0.000 2.548 202 H HA 0.232 4.394 4.556 -0.962 -0.182 0.331 202 H C -1.435 173.778 175.328 -0.191 0.000 1.093 202 H CA -0.790 54.743 56.048 -0.858 0.000 1.367 202 H CB 1.386 30.186 29.762 -1.604 0.000 1.455 202 H HN 0.379 8.514 8.280 -0.241 0.000 0.519 203 Y N 7.540 127.425 120.300 -0.690 0.000 2.330 203 Y HA 0.131 4.469 4.550 -0.354 0.000 0.324 203 Y C -1.400 174.249 175.900 -0.418 0.000 1.093 203 Y CA -0.036 57.831 58.100 -0.389 0.000 1.103 203 Y CB 2.361 40.790 38.460 -0.051 0.000 1.183 203 Y HN 0.545 8.504 8.280 -0.534 0.000 0.433 204 R N 7.191 127.204 120.500 -0.811 0.000 3.322 204 R HA -0.388 3.715 4.340 -0.396 0.000 0.253 204 R C -0.897 175.227 176.300 -0.292 0.000 0.987 204 R CA 1.126 56.920 56.100 -0.510 0.000 0.666 204 R CB -2.131 27.842 30.300 -0.545 0.000 1.072 204 R HN 1.078 8.870 8.270 -0.797 0.000 0.447 205 G N -4.820 103.759 108.800 -0.368 0.000 2.175 205 G HA2 -0.324 3.638 3.960 0.003 0.000 0.244 205 G HA3 -0.324 3.770 3.960 0.222 0.000 0.244 205 G C -0.492 174.384 174.900 -0.040 0.000 0.982 205 G CA -0.237 44.845 45.100 -0.029 0.000 0.641 205 G HN -0.020 7.804 8.290 -0.752 0.015 0.527 206 T N 1.129 115.528 114.554 -0.258 0.000 2.909 206 T HA 0.280 4.627 4.350 -0.006 0.000 0.299 206 T C -1.776 172.701 174.700 -0.372 0.000 1.073 206 T CA -0.342 61.650 62.100 -0.180 0.000 0.999 206 T CB 3.102 71.861 68.868 -0.180 0.000 1.098 206 T HN -0.660 7.306 8.240 -0.457 0.000 0.477 207 W N 2.700 123.797 121.300 -0.338 0.000 2.551 207 W HA 0.401 5.198 4.660 -0.064 -0.175 0.330 207 W C -1.106 175.006 176.519 -0.678 0.000 1.063 207 W CA -1.005 56.152 57.345 -0.313 0.000 1.222 207 W CB 2.717 32.038 29.460 -0.231 0.000 1.349 207 W HN 0.297 8.477 8.180 -0.000 0.000 0.536 208 Y N -2.215 118.140 120.300 0.092 0.000 2.512 208 Y HA 0.480 5.208 4.550 -0.006 -0.181 0.348 208 Y C -1.042 174.873 175.900 0.025 0.000 0.990 208 Y CA -1.572 56.549 58.100 0.035 0.000 1.033 208 Y CB 3.878 42.397 38.460 0.098 0.000 1.259 208 Y HN 0.395 8.849 8.280 0.290 0.000 0.461 209 L N 2.297 123.623 121.223 0.170 0.000 2.369 209 L HA 0.028 4.458 4.340 0.149 0.000 0.279 209 L C -0.410 176.591 176.870 0.219 0.000 1.108 209 L CA -0.343 54.595 54.840 0.164 0.000 0.852 209 L CB 0.204 42.344 42.059 0.136 0.000 1.169 209 L HN 0.091 8.421 8.230 0.166 0.000 0.452 210 T N 0.953 115.670 114.554 0.272 0.000 2.955 210 T HA 0.223 4.682 4.350 0.182 0.000 0.251 210 T C -0.408 174.519 174.700 0.379 0.000 1.002 210 T CA -0.134 62.121 62.100 0.259 0.000 0.970 210 T CB 2.367 71.348 68.868 0.187 0.000 1.091 210 T HN 0.217 8.648 8.240 0.318 0.000 0.495 211 G N 0.472 109.543 108.800 0.452 0.000 2.690 211 G HA2 0.662 4.802 3.960 0.300 0.000 0.291 211 G HA3 0.662 5.079 3.960 0.384 -0.226 0.291 211 G C -3.150 171.948 174.900 0.331 0.000 1.403 211 G CA -0.134 45.195 45.100 0.381 0.000 0.864 211 G HN -0.632 7.938 8.290 0.467 0.000 0.480 212 I N -0.394 120.336 120.570 0.265 0.000 2.498 212 I HA 0.547 5.068 4.170 0.268 -0.190 0.290 212 I C -0.363 175.895 176.117 0.235 0.000 1.032 212 I CA -1.450 59.995 61.300 0.241 0.000 1.073 212 I CB 4.249 42.339 38.000 0.150 0.000 1.251 212 I HN -0.415 7.917 8.210 0.203 0.000 0.426 213 V N 6.958 127.021 119.914 0.249 0.000 2.475 213 V HA -0.264 3.742 4.120 -0.191 0.000 0.292 213 V C -1.024 175.073 176.094 0.004 0.000 1.003 213 V CA 2.091 64.418 62.300 0.045 0.000 1.120 213 V CB -1.328 30.567 31.823 0.120 0.000 0.937 213 V HN 0.119 8.475 8.190 0.277 0.000 0.476 214 S N 7.748 123.355 115.700 -0.155 0.000 3.334 214 S HA 0.426 5.157 4.470 0.267 -0.101 0.224 214 S C -1.327 173.340 174.600 0.113 0.000 0.959 214 S CA 0.340 58.588 58.200 0.079 0.000 0.815 214 S CB 2.065 65.310 63.200 0.076 0.000 0.861 214 S HN -0.209 7.838 8.310 -0.439 0.000 0.596 215 W N -3.846 117.308 121.300 -0.243 0.000 2.959 215 W HA 0.264 4.797 4.660 -0.211 0.000 0.358 215 W C -3.098 173.307 176.519 -0.191 0.000 1.228 215 W CA -0.579 56.635 57.345 -0.218 0.000 1.183 215 W CB 1.241 30.577 29.460 -0.207 0.000 1.467 215 W HN -0.337 7.605 8.180 -0.396 0.000 0.578 216 G N -3.380 105.512 108.800 0.153 0.000 2.451 216 G HA2 0.027 3.926 3.960 -0.103 0.000 0.292 216 G HA3 0.027 3.890 3.960 -0.162 0.000 0.292 216 G C -1.789 173.186 174.900 0.125 0.000 1.427 216 G CA -0.052 45.043 45.100 -0.009 0.000 0.792 216 G HN 0.025 8.511 8.290 0.328 0.000 0.498 220 c N 3.524 122.123 118.600 -0.002 0.000 2.808 220 c HA 0.317 4.894 4.570 0.012 0.000 0.261 220 c C -1.692 172.409 174.090 0.018 0.000 1.574 220 c CA -0.822 55.514 56.329 0.012 0.000 1.611 220 c CB -2.290 40.233 42.510 0.022 0.000 2.726 220 c HN 0.101 8.581 8.230 -0.002 -0.251 0.528 221 T N 0.688 115.258 114.554 0.026 0.000 3.802 221 T HA 0.129 4.499 4.350 0.033 0.000 0.397 221 T C -1.388 173.354 174.700 0.069 0.000 1.404 221 T CA 0.052 62.180 62.100 0.047 0.000 1.151 221 T CB 2.726 71.614 68.868 0.034 0.000 1.329 221 T HN -0.270 7.986 8.240 0.027 0.000 0.474 222 V N 6.993 126.935 119.914 0.047 0.000 2.617 222 V HA -0.413 3.824 4.120 -0.033 -0.137 0.304 222 V C 1.753 177.850 176.094 0.005 0.000 1.040 222 V CA 0.988 63.291 62.300 0.005 0.000 1.149 222 V CB -0.361 31.464 31.823 0.003 0.000 0.914 222 V HN 0.470 8.685 8.190 0.042 0.000 0.487 223 G N 6.937 115.660 108.800 -0.129 0.000 2.157 223 G HA2 -0.402 3.406 3.960 -0.255 0.000 0.248 223 G HA3 -0.402 3.412 3.960 -0.244 0.000 0.248 223 G C -1.402 173.167 174.900 -0.552 0.000 0.979 223 G CA 0.596 45.532 45.100 -0.273 0.000 0.650 223 G HN 0.612 8.700 8.290 -0.156 0.108 0.529 224 H N -1.334 117.610 119.070 -0.211 0.000 2.895 224 H HA 0.352 4.882 4.556 -0.042 0.000 0.373 224 H C -1.700 173.421 175.328 -0.344 0.000 1.174 224 H CA -0.859 55.097 56.048 -0.154 0.000 1.144 224 H CB 3.376 33.112 29.762 -0.043 0.000 1.793 224 H HN -0.662 7.481 8.280 -0.159 0.041 0.551 225 F N -1.037 118.957 119.950 0.073 0.000 2.575 225 F HA 0.169 4.728 4.527 0.052 0.000 0.330 225 F C -0.061 175.702 175.800 -0.062 0.000 1.056 225 F CA -1.154 56.855 58.000 0.016 0.000 0.964 225 F CB 3.280 42.266 39.000 -0.024 0.000 1.258 225 F HN 0.438 8.940 8.300 0.338 0.000 0.484 226 G N -0.862 108.040 108.800 0.170 0.000 2.483 226 G HA2 0.130 4.089 3.960 -0.000 0.000 0.248 226 G HA3 0.130 3.964 3.960 -0.210 0.000 0.248 226 G C -1.865 172.860 174.900 -0.292 0.000 1.248 226 G CA 0.018 45.068 45.100 -0.084 0.000 0.838 226 G HN -0.172 8.283 8.290 0.275 0.000 0.566 227 V N 2.881 122.322 119.914 -0.788 0.000 2.555 227 V HA 0.615 4.531 4.120 -0.615 -0.165 0.302 227 V C -1.020 174.434 176.094 -1.066 0.000 1.038 227 V CA -1.456 60.284 62.300 -0.933 0.000 0.887 227 V CB 2.288 33.148 31.823 -1.605 0.000 0.991 227 V HN 0.180 7.853 8.190 -0.862 0.000 0.434 228 Y N 4.965 124.820 120.300 -0.740 0.000 2.462 228 Y HA 0.579 5.035 4.550 -0.436 -0.168 0.346 228 Y C 0.206 175.753 175.900 -0.588 0.000 0.976 228 Y CA -2.158 55.499 58.100 -0.737 0.000 1.044 228 Y CB 4.050 41.755 38.460 -1.259 0.000 1.230 228 Y HN 0.826 8.704 8.280 -0.670 0.000 0.455 229 T N 5.188 119.679 114.554 -0.105 0.000 2.888 229 T HA -0.084 4.463 4.350 0.091 -0.142 0.301 229 T C -0.495 174.311 174.700 0.177 0.000 1.001 229 T CA 1.659 63.797 62.100 0.062 0.000 1.147 229 T CB 0.198 69.116 68.868 0.083 0.000 0.931 229 T HN 0.233 8.445 8.240 -0.046 0.000 0.541 230 R N 8.212 128.901 120.500 0.315 0.000 2.419 230 R HA 0.024 4.726 4.340 0.604 0.000 0.305 230 R C 0.772 177.322 176.300 0.416 0.000 1.242 230 R CA -0.337 56.025 56.100 0.436 0.000 1.105 230 R CB -0.343 30.162 30.300 0.341 0.000 1.116 230 R HN -0.028 8.313 8.270 0.312 0.117 0.523 231 V N 7.618 127.768 119.914 0.393 0.000 2.469 231 V HA -0.502 3.926 4.120 0.513 0.000 0.251 231 V C 1.119 177.412 176.094 0.331 0.000 1.064 231 V CA 3.426 65.964 62.300 0.397 0.000 1.066 231 V CB -0.319 31.684 31.823 0.300 0.000 0.667 231 V HN -0.200 8.225 8.190 0.392 0.000 0.461 232 S N -1.176 114.642 115.700 0.197 0.000 2.419 232 S HA -0.359 4.180 4.470 0.116 0.000 0.235 232 S C 2.100 176.753 174.600 0.089 0.000 1.019 232 S CA 2.733 60.998 58.200 0.107 0.000 0.982 232 S CB -0.417 62.791 63.200 0.013 0.000 0.789 232 S HN 0.166 8.556 8.310 0.175 0.025 0.490 233 Q N -0.015 119.809 119.800 0.039 0.000 2.364 233 Q HA -0.197 4.122 4.340 -0.035 0.000 0.207 233 Q C 0.433 176.322 176.000 -0.184 0.000 0.970 233 Q CA 1.986 57.718 55.803 -0.118 0.000 0.888 233 Q CB 0.109 28.697 28.738 -0.250 0.000 0.951 233 Q HN -0.585 7.710 8.270 0.079 0.023 0.469 234 Y N -5.861 114.620 120.300 0.302 0.000 2.481 234 Y HA 0.139 4.992 4.550 0.505 0.000 0.247 234 Y C 0.225 176.344 175.900 0.366 0.000 1.151 234 Y CA -0.206 58.116 58.100 0.370 0.000 1.238 234 Y CB 0.881 39.490 38.460 0.249 0.000 1.179 234 Y HN -0.285 7.992 8.280 0.272 0.165 0.524 235 I N 0.582 121.354 120.570 0.338 0.000 2.127 235 I HA -0.542 3.778 4.170 0.249 0.000 0.241 235 I C 1.803 178.050 176.117 0.216 0.000 1.075 235 I CA 2.835 64.282 61.300 0.245 0.000 1.334 235 I CB -1.120 36.976 38.000 0.160 0.000 1.040 235 I HN -0.990 7.380 8.210 0.268 0.000 0.405 236 E N -1.879 118.445 120.200 0.208 0.000 2.110 236 E HA -0.292 4.117 4.350 0.099 0.000 0.193 236 E C 1.811 178.532 176.600 0.202 0.000 0.988 236 E CA 3.721 60.213 56.400 0.152 0.000 0.804 236 E CB -0.655 29.111 29.700 0.111 0.000 0.745 236 E HN 0.401 8.886 8.360 0.208 0.000 0.458 237 W N 0.110 121.496 121.300 0.143 0.000 2.355 237 W HA -0.283 4.445 4.660 0.113 0.000 0.309 237 W C 1.658 178.230 176.519 0.089 0.000 1.206 237 W CA 3.426 60.874 57.345 0.172 0.000 1.284 237 W CB -0.008 29.705 29.460 0.421 0.000 1.145 237 W HN -0.365 8.146 8.180 0.552 0.000 0.502 238 L N -2.625 118.725 121.223 0.211 0.000 2.027 238 L HA -0.592 3.551 4.340 -0.328 0.000 0.206 238 L C 2.362 179.081 176.870 -0.251 0.000 1.074 238 L CA 3.285 58.067 54.840 -0.098 0.000 0.745 238 L CB -0.511 41.599 42.059 0.085 0.000 0.898 238 L HN -0.003 8.486 8.230 0.431 0.000 0.433 239 Q N -1.773 117.959 119.800 -0.112 0.000 2.096 239 Q HA -0.430 3.803 4.340 -0.179 0.000 0.204 239 Q C 2.448 178.341 176.000 -0.178 0.000 0.982 239 Q CA 3.324 59.045 55.803 -0.135 0.000 0.850 239 Q CB -0.290 28.422 28.738 -0.043 0.000 0.901 239 Q HN -0.184 8.079 8.270 -0.013 0.000 0.422 240 K N -0.105 120.200 120.400 -0.159 0.000 2.057 240 K HA -0.258 3.991 4.320 -0.119 0.000 0.207 240 K C 3.069 179.522 176.600 -0.244 0.000 1.049 240 K CA 2.908 59.098 56.287 -0.162 0.000 0.931 240 K CB -0.165 32.262 32.500 -0.122 0.000 0.714 240 K HN -0.578 7.599 8.250 -0.122 0.000 0.440 241 L N -1.069 119.917 121.223 -0.396 0.000 2.093 241 L HA -0.287 3.851 4.340 -0.337 0.000 0.208 241 L C 2.539 179.129 176.870 -0.466 0.000 1.085 241 L CA 2.838 57.406 54.840 -0.454 0.000 0.755 241 L CB 0.044 41.695 42.059 -0.680 0.000 0.904 241 L HN -0.628 7.327 8.230 -0.458 0.000 0.435 242 M N -3.961 115.253 119.600 -0.644 0.000 2.460 242 M HA -0.330 3.506 4.480 -1.073 0.000 0.263 242 M C 1.410 177.623 176.300 -0.146 0.000 1.071 242 M CA 2.956 57.829 55.300 -0.712 0.000 1.096 242 M CB -0.270 31.805 32.600 -0.875 0.000 1.408 242 M HN -0.287 7.634 8.290 -0.615 0.000 0.463 243 R N -3.667 116.759 120.500 -0.124 0.000 2.297 243 R HA -0.086 4.260 4.340 0.010 0.000 0.197 243 R C 0.007 176.309 176.300 0.003 0.000 0.943 243 R CA -0.090 55.993 56.100 -0.030 0.000 1.038 243 R CB 0.174 30.446 30.300 -0.046 0.000 0.957 243 R HN -0.671 7.358 8.270 -0.179 0.134 0.484 244 S N 0.379 116.078 115.700 -0.001 0.000 2.646 244 S HA 0.051 4.523 4.470 0.004 0.000 0.276 244 S C -0.461 174.181 174.600 0.071 0.000 1.222 244 S CA -0.693 57.516 58.200 0.016 0.000 1.014 244 S CB 1.750 64.936 63.200 -0.023 0.000 0.991 244 S HN -0.418 7.706 8.310 -0.030 0.168 0.533 245 E N 1.637 121.864 120.200 0.044 0.000 2.354 245 E HA 0.280 4.663 4.350 0.055 0.000 0.269 245 E C -1.432 175.195 176.600 0.045 0.000 1.036 245 E CA -2.446 53.981 56.400 0.044 0.000 0.876 245 E CB -0.278 29.435 29.700 0.021 0.000 1.009 245 E HN 0.209 8.584 8.360 0.025 0.000 0.416 246 P HA 0.046 4.614 4.420 0.038 -0.125 0.268 246 P C -0.940 176.364 177.300 0.006 0.000 1.208 246 P CA 0.059 63.172 63.100 0.022 0.000 0.777 246 P CB 0.996 32.693 31.700 -0.005 0.000 0.875 247 R N 0.846 121.344 120.500 -0.004 0.000 2.740 247 R HA 0.438 4.772 4.340 -0.011 0.000 0.282 247 R C -2.326 173.960 176.300 -0.025 0.000 0.969 247 R CA -2.734 53.358 56.100 -0.015 0.000 0.918 247 R CB 0.861 31.148 30.300 -0.022 0.000 1.175 247 R HN -0.247 8.282 8.270 -0.006 -0.262 0.464 248 P HA -0.087 4.320 4.420 -0.022 0.000 0.269 248 P C -0.797 176.472 177.300 -0.051 0.000 1.209 248 P CA 0.054 63.138 63.100 -0.028 0.000 0.776 248 P CB 0.349 32.037 31.700 -0.019 0.000 0.876 249 G N 2.250 111.015 108.800 -0.060 0.000 3.019 249 G HA2 -0.232 3.659 3.960 -0.116 0.000 0.686 249 G HA3 -0.232 3.674 3.960 -0.091 0.000 0.686 249 G C -0.874 173.934 174.900 -0.154 0.000 1.056 249 G CA -0.545 44.493 45.100 -0.104 0.000 0.774 249 G HN -0.394 7.869 8.290 -0.045 0.000 0.583 250 V N 1.827 121.619 119.914 -0.204 0.000 2.270 250 V HA -0.248 3.966 4.120 -0.138 -0.177 0.245 250 V C 1.280 177.130 176.094 -0.408 0.000 1.043 250 V CA 1.681 63.844 62.300 -0.228 0.000 1.014 250 V CB 0.311 32.078 31.823 -0.094 0.000 0.645 250 V HN -0.055 8.017 8.190 -0.196 0.000 0.447 251 L N -2.024 118.743 121.223 -0.760 0.000 2.410 251 L HA 0.175 4.256 4.340 -0.723 -0.175 0.273 251 L C -0.574 176.074 176.870 -0.370 0.000 1.152 251 L CA 0.181 54.558 54.840 -0.772 0.000 0.855 251 L CB 0.396 41.764 42.059 -1.150 0.000 1.129 251 L HN -0.571 7.101 8.230 -0.931 0.000 0.463 252 L N 7.493 128.577 121.223 -0.231 0.000 2.404 252 L HA 0.402 4.679 4.340 -0.105 0.000 0.272 252 L C -1.797 175.057 176.870 -0.026 0.000 0.980 252 L CA -1.000 53.777 54.840 -0.106 0.000 0.836 252 L CB 3.836 45.854 42.059 -0.068 0.000 1.238 252 L HN 0.718 8.811 8.230 -0.229 0.000 0.408 253 R N 5.740 126.245 120.500 0.008 0.000 2.265 253 R HA 0.534 5.147 4.340 0.124 -0.199 0.314 253 R C -0.603 175.770 176.300 0.121 0.000 1.053 253 R CA -0.315 55.837 56.100 0.086 0.000 0.931 253 R CB 0.859 31.204 30.300 0.074 0.000 1.024 253 R HN 0.281 8.543 8.270 -0.014 0.000 0.457 254 A N 6.602 129.563 122.820 0.235 0.000 2.365 254 A HA 0.523 4.940 4.320 0.162 0.000 0.318 254 A C -2.806 175.018 177.584 0.399 0.000 1.091 254 A CA -3.152 49.044 52.037 0.265 0.000 0.763 254 A CB 1.196 20.319 19.000 0.206 0.000 1.248 254 A HN 0.393 8.735 8.150 0.320 0.000 0.442 255 P HA -0.150 4.384 4.420 0.190 0.000 0.265 255 P C -1.968 175.577 177.300 0.408 0.000 1.193 255 P CA 0.257 63.508 63.100 0.253 0.000 0.765 255 P CB -0.132 31.654 31.700 0.142 0.000 0.823 256 F N 5.149 125.141 119.950 0.070 0.000 2.529 256 F HA 0.324 4.882 4.527 0.052 0.000 0.320 256 F C -2.942 172.809 175.800 -0.082 0.000 1.118 256 F CA -3.458 54.495 58.000 -0.079 0.000 0.915 256 F CB 3.576 42.313 39.000 -0.439 0.000 1.161 256 F HN -0.189 8.235 8.300 0.207 0.000 0.445 257 P HA 0.000 2.918 4.420 -2.503 0.000 0.216 257 P CA 0.000 62.364 63.100 -1.227 0.000 0.800 257 P CB 0.000 31.216 31.700 -0.806 0.000 0.726