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 1dv6_1_R DATA FIRST_RESID 1 DATA SEQUENCE ALLSFERKYR VPGGTLVGGN LFDFWVGPFY VGFFGVATFF FAALGIILIA DATA SEQUENCE WSAVLQGTWN PQLISVYPPA LEYGLGGAPL AKGGLWQIIT ICATGAFVSW DATA SEQUENCE ALREVEICRK LGIGYHIPFA FAFAILAYLT LVLFRPVMMG AWGYAFPYGI DATA SEQUENCE WTHLDWVSNT GYTYGNFHYN PAHMIAISFF FTNALALALH GALVLSAANP DATA SEQUENCE EKGKEMRTPD HEDTFFRDLV GYSIGTLGIH RLGLLLSLSA VFFSALCMII DATA SEQUENCE TGTIWFDQWV DWWQWWVKLP WWANIPGGIN G 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.538 177.584 -0.077 0.000 1.274 1 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 1 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 2 L N 0.149 121.307 121.223 -0.108 0.000 2.283 2 L HA 0.694 5.036 4.340 0.003 0.000 0.259 2 L C -0.162 176.590 176.870 -0.197 0.000 1.027 2 L CA -0.415 54.328 54.840 -0.161 0.000 0.828 2 L CB 1.538 43.496 42.059 -0.170 0.000 1.380 2 L HN 0.729 8.959 8.230 -0.000 0.000 0.425 3 L N 0.322 121.366 121.223 -0.299 0.000 2.395 3 L HA 0.230 4.571 4.340 0.003 0.000 0.269 3 L C 1.342 177.949 176.870 -0.438 0.000 1.133 3 L CA -0.220 54.349 54.840 -0.452 0.000 0.812 3 L CB 1.208 42.790 42.059 -0.795 0.000 1.125 3 L HN 0.887 9.117 8.230 -0.000 0.000 0.452 4 S N 1.100 116.592 115.700 -0.347 0.000 2.488 4 S HA -0.212 4.260 4.470 0.003 0.000 0.246 4 S C 0.829 175.394 174.600 -0.058 0.000 0.992 4 S CA 1.140 59.247 58.200 -0.156 0.000 0.963 4 S CB -0.556 62.617 63.200 -0.044 0.000 0.754 4 S HN 0.673 8.983 8.310 -0.000 0.000 0.519 5 F N -0.298 119.670 119.950 0.031 0.000 2.735 5 F HA 0.615 5.144 4.527 0.003 0.000 0.308 5 F C 1.235 177.131 175.800 0.160 0.000 1.112 5 F CA -1.330 56.714 58.000 0.073 0.000 1.235 5 F CB -0.247 38.809 39.000 0.092 0.000 1.027 5 F HN 0.150 8.450 8.300 -0.000 0.000 0.528 6 E N 0.963 121.169 120.200 0.010 0.000 2.122 6 E HA -0.094 4.258 4.350 0.003 0.000 0.190 6 E C 2.162 178.841 176.600 0.132 0.000 0.977 6 E CA 0.332 56.802 56.400 0.117 0.000 0.820 6 E CB 0.025 29.636 29.700 -0.148 0.000 0.770 6 E HN 0.199 8.559 8.360 -0.000 0.000 0.462 7 R N 1.302 121.803 120.500 0.002 0.000 2.196 7 R HA -0.263 4.078 4.340 0.003 0.000 0.244 7 R C 2.339 178.607 176.300 -0.053 0.000 1.121 7 R CA 2.552 58.625 56.100 -0.046 0.000 0.930 7 R CB -0.688 29.585 30.300 -0.045 0.000 0.890 7 R HN 0.338 8.608 8.270 -0.000 0.000 0.435 8 K N -1.037 119.300 120.400 -0.105 0.000 2.362 8 K HA -0.182 4.140 4.320 0.003 0.000 0.202 8 K C 1.728 178.175 176.600 -0.255 0.000 1.045 8 K CA 1.907 58.063 56.287 -0.219 0.000 0.936 8 K CB -0.354 31.941 32.500 -0.342 0.000 0.747 8 K HN 0.310 8.560 8.250 -0.000 0.000 0.467 9 Y N 1.090 121.394 120.300 0.007 0.000 2.448 9 Y HA 0.153 4.705 4.550 0.002 0.000 0.289 9 Y C 0.953 176.872 175.900 0.032 0.000 1.114 9 Y CA -0.132 57.983 58.100 0.025 0.000 1.235 9 Y CB 0.268 38.751 38.460 0.038 0.000 1.045 9 Y HN -0.124 8.156 8.280 -0.000 0.000 0.554 10 R N 1.587 122.125 120.500 0.063 0.000 4.886 10 R HA 0.109 4.450 4.340 0.003 0.000 0.181 10 R C -0.520 175.886 176.300 0.176 0.000 1.989 10 R CA 0.044 56.104 56.100 -0.068 0.000 1.623 10 R CB -1.224 28.776 30.300 -0.501 0.000 1.383 10 R HN 0.070 8.340 8.270 -0.000 0.000 0.847 11 V N 2.862 122.928 119.914 0.253 0.000 2.837 11 V HA 0.308 4.429 4.120 0.003 0.000 0.310 11 V C -1.600 174.658 176.094 0.274 0.000 1.059 11 V CA -1.814 60.613 62.300 0.211 0.000 1.004 11 V CB 1.901 33.802 31.823 0.130 0.000 1.045 11 V HN 0.312 8.502 8.190 -0.000 0.000 0.465 12 P HA 0.501 4.921 4.420 -0.000 0.000 0.276 12 P C -0.121 177.259 177.300 0.134 0.000 1.244 12 P CA 0.347 63.558 63.100 0.185 0.000 0.801 12 P CB 1.202 32.991 31.700 0.148 0.000 1.006 13 G N -0.926 107.944 108.800 0.118 0.000 2.587 13 G HA2 0.364 4.326 3.960 0.003 0.000 0.686 13 G HA3 0.364 4.326 3.960 0.003 0.000 0.686 13 G C 0.151 175.099 174.900 0.079 0.000 1.236 13 G CA 0.218 45.373 45.100 0.092 0.000 0.820 13 G HN 0.993 9.283 8.290 -0.000 0.000 0.645 14 G N -1.337 107.511 108.800 0.079 0.000 2.391 14 G HA2 0.235 4.196 3.960 0.003 0.000 0.204 14 G HA3 0.235 4.196 3.960 0.003 0.000 0.204 14 G C 1.308 176.271 174.900 0.104 0.000 1.012 14 G CA 1.104 46.248 45.100 0.074 0.000 0.651 14 G HN 2.840 11.130 8.290 -0.000 0.000 0.494 15 T N 0.313 114.948 114.554 0.134 0.000 2.937 15 T HA 0.488 4.840 4.350 0.003 0.000 0.316 15 T C 1.566 176.364 174.700 0.163 0.000 1.079 15 T CA 0.603 62.814 62.100 0.186 0.000 1.131 15 T CB 1.202 70.183 68.868 0.188 0.000 1.000 15 T HN 0.448 8.688 8.240 -0.000 0.000 0.549 16 L N 1.756 123.112 121.223 0.223 0.000 2.463 16 L HA 0.332 4.674 4.340 0.003 0.000 0.219 16 L C 0.124 177.073 176.870 0.132 0.000 1.088 16 L CA -0.097 54.862 54.840 0.199 0.000 0.849 16 L CB 0.340 42.579 42.059 0.299 0.000 1.012 16 L HN 0.493 8.723 8.230 -0.000 0.000 0.468 17 V N -1.142 118.823 119.914 0.084 0.000 2.971 17 V HA 0.587 4.708 4.120 0.003 0.000 0.309 17 V C 0.641 176.697 176.094 -0.064 0.000 1.130 17 V CA -0.260 61.972 62.300 -0.114 0.000 0.964 17 V CB 1.562 33.089 31.823 -0.494 0.000 1.029 17 V HN 0.221 8.411 8.190 -0.000 0.000 0.427 18 G N 2.270 111.020 108.800 -0.084 0.000 2.162 18 G HA2 0.041 4.003 3.960 0.003 0.000 0.260 18 G HA3 0.041 4.003 3.960 0.003 0.000 0.260 18 G C 1.234 176.134 174.900 0.000 0.000 0.976 18 G CA 0.919 46.014 45.100 -0.007 0.000 0.655 18 G HN 2.417 10.707 8.290 -0.000 0.000 0.533 19 G N 1.086 109.896 108.800 0.016 0.000 2.622 19 G HA2 -0.319 3.642 3.960 0.003 0.000 0.307 19 G HA3 -0.319 3.642 3.960 0.003 0.000 0.307 19 G C 1.013 175.938 174.900 0.042 0.000 1.226 19 G CA 1.328 46.441 45.100 0.023 0.000 0.997 19 G HN 1.927 10.217 8.290 -0.000 0.000 0.551 20 N N 1.559 120.269 118.700 0.018 0.000 2.280 20 N HA 0.145 4.886 4.740 0.003 0.000 0.192 20 N C 2.253 177.759 175.510 -0.005 0.000 1.109 20 N CA 0.920 53.993 53.050 0.039 0.000 0.855 20 N CB -0.010 38.504 38.487 0.044 0.000 0.974 20 N HN 0.647 9.027 8.380 -0.000 0.000 0.482 21 L N -0.511 120.635 121.223 -0.128 0.000 2.013 21 L HA -0.138 4.204 4.340 0.003 0.000 0.212 21 L C 0.941 177.568 176.870 -0.405 0.000 1.073 21 L CA 1.647 56.255 54.840 -0.386 0.000 0.753 21 L CB -0.453 41.197 42.059 -0.681 0.000 0.890 21 L HN 0.066 8.296 8.230 -0.000 0.000 0.432 22 F N -1.681 118.358 119.950 0.149 0.000 2.654 22 F HA 0.141 4.669 4.527 0.002 0.000 0.303 22 F C 0.657 176.294 175.800 -0.272 0.000 1.099 22 F CA -0.946 57.091 58.000 0.062 0.000 1.270 22 F CB -0.238 38.691 39.000 -0.119 0.000 1.024 22 F HN -0.109 8.191 8.300 -0.000 0.000 0.548 23 D N 2.100 122.577 120.400 0.128 0.000 2.597 23 D HA 0.181 4.823 4.640 0.003 0.000 0.228 23 D C -0.478 175.867 176.300 0.075 0.000 1.120 23 D CA 0.445 54.472 54.000 0.045 0.000 1.083 23 D CB -0.610 40.274 40.800 0.139 0.000 1.116 23 D HN 0.169 8.539 8.370 -0.000 0.000 0.487 24 F N -0.944 118.788 119.950 -0.362 0.000 2.817 24 F HA 0.629 5.157 4.527 0.002 0.000 0.317 24 F C -1.252 174.308 175.800 -0.400 0.000 1.168 24 F CA -1.596 56.262 58.000 -0.236 0.000 0.911 24 F CB 0.826 39.842 39.000 0.027 0.000 1.337 24 F HN -0.153 8.147 8.300 -0.000 0.000 0.464 25 W N 0.262 121.713 121.300 0.251 0.000 2.762 25 W HA 0.758 5.419 4.660 0.002 0.000 0.355 25 W C -1.413 175.252 176.519 0.244 0.000 1.124 25 W CA -1.266 56.178 57.345 0.165 0.000 1.141 25 W CB 2.074 31.655 29.460 0.201 0.000 1.432 25 W HN 0.347 8.527 8.180 -0.000 0.000 0.586 26 V N 1.822 121.999 119.914 0.438 0.000 2.439 26 V HA 0.467 4.589 4.120 0.003 0.000 0.277 26 V C 0.609 176.917 176.094 0.356 0.000 1.008 26 V CA 0.264 62.763 62.300 0.330 0.000 0.846 26 V CB 0.570 32.527 31.823 0.223 0.000 1.031 26 V HN 0.984 9.174 8.190 -0.000 0.000 0.441 27 G N 7.326 116.294 108.800 0.281 0.000 2.556 27 G HA2 -0.202 3.759 3.960 0.003 0.000 0.283 27 G HA3 -0.202 3.759 3.960 0.003 0.000 0.283 27 G C -0.928 174.105 174.900 0.222 0.000 1.177 27 G CA 0.457 45.696 45.100 0.231 0.000 0.978 27 G HN 0.561 8.851 8.290 -0.000 0.000 0.554 28 P HA 0.212 4.632 4.420 -0.000 0.000 0.230 28 P C 0.588 177.944 177.300 0.093 0.000 1.168 28 P CA 0.512 63.620 63.100 0.014 0.000 0.793 28 P CB 0.064 31.659 31.700 -0.176 0.000 0.851 29 F N 0.581 120.674 119.950 0.237 0.000 2.495 29 F HA 0.174 4.702 4.527 0.002 0.000 0.365 29 F C 1.178 177.146 175.800 0.280 0.000 1.090 29 F CA -0.438 57.699 58.000 0.229 0.000 1.235 29 F CB -0.201 38.880 39.000 0.135 0.000 1.119 29 F HN -0.088 8.212 8.300 -0.000 0.000 0.562 30 Y N 3.053 123.481 120.300 0.213 0.000 2.335 30 Y HA 0.479 5.030 4.550 0.002 0.000 0.323 30 Y C 0.047 175.799 175.900 -0.246 0.000 1.224 30 Y CA -0.687 57.251 58.100 -0.270 0.000 1.241 30 Y CB 0.934 39.203 38.460 -0.317 0.000 1.235 30 Y HN 0.427 8.707 8.280 -0.000 0.000 0.492 31 V N 3.022 122.105 119.914 -1.385 0.000 3.355 31 V HA 0.525 4.646 4.120 0.003 0.000 0.210 31 V C 0.835 176.337 176.094 -0.987 0.000 1.157 31 V CA 0.412 62.121 62.300 -0.985 0.000 1.336 31 V CB -0.883 30.344 31.823 -0.992 0.000 1.317 31 V HN 1.274 9.464 8.190 -0.000 0.000 0.503 32 G N -0.461 107.724 108.800 -1.025 0.000 2.814 32 G HA2 -0.270 3.692 3.960 0.003 0.000 0.677 32 G HA3 -0.270 3.692 3.960 0.003 0.000 0.677 32 G C -0.003 174.727 174.900 -0.284 0.000 1.429 32 G CA 0.255 45.119 45.100 -0.393 0.000 0.868 32 G HN 0.558 8.848 8.290 -0.000 0.000 0.553 33 F N 0.540 120.304 119.950 -0.310 0.000 2.091 33 F HA 0.043 4.572 4.527 0.003 0.000 0.299 33 F C 2.375 177.807 175.800 -0.612 0.000 1.103 33 F CA 2.654 60.237 58.000 -0.694 0.000 1.228 33 F CB -0.343 38.292 39.000 -0.608 0.000 0.984 33 F HN 0.327 8.627 8.300 -0.000 0.000 0.477 34 F N 0.609 120.429 119.950 -0.215 0.000 2.641 34 F HA 0.099 4.627 4.527 0.002 0.000 0.298 34 F C 2.472 178.148 175.800 -0.207 0.000 1.146 34 F CA 0.824 58.688 58.000 -0.226 0.000 1.464 34 F CB -1.262 37.754 39.000 0.027 0.000 1.101 34 F HN 0.090 8.390 8.300 -0.000 0.000 0.585 35 G N -0.013 108.686 108.800 -0.168 0.000 2.396 35 G HA2 -0.125 3.836 3.960 0.003 0.000 0.214 35 G HA3 -0.125 3.836 3.960 0.003 0.000 0.214 35 G C 1.797 176.591 174.900 -0.176 0.000 1.166 35 G CA 1.012 46.013 45.100 -0.165 0.000 0.793 35 G HN 0.346 8.636 8.290 -0.000 0.000 0.533 36 V N -1.041 118.635 119.914 -0.396 0.000 2.719 36 V HA 0.329 4.451 4.120 0.003 0.000 0.252 36 V C 2.749 178.690 176.094 -0.255 0.000 1.065 36 V CA 1.656 63.743 62.300 -0.354 0.000 1.086 36 V CB -0.348 31.123 31.823 -0.588 0.000 0.700 36 V HN 0.337 8.527 8.190 -0.000 0.000 0.467 37 A N 0.653 123.222 122.820 -0.420 0.000 1.930 37 A HA -0.104 4.217 4.320 0.003 0.000 0.217 37 A C 2.325 180.020 177.584 0.184 0.000 1.175 37 A CA 2.404 54.293 52.037 -0.247 0.000 0.627 37 A CB -1.223 17.575 19.000 -0.338 0.000 0.815 37 A HN 0.539 8.689 8.150 -0.000 0.000 0.443 38 T N -0.932 113.760 114.554 0.231 0.000 2.777 38 T HA -0.106 4.246 4.350 0.003 0.000 0.266 38 T C 1.593 176.445 174.700 0.254 0.000 1.040 38 T CA 1.546 63.853 62.100 0.345 0.000 1.141 38 T CB -0.372 68.737 68.868 0.401 0.000 0.868 38 T HN 0.476 8.716 8.240 -0.000 0.000 0.444 39 F N 1.278 121.265 119.950 0.061 0.000 2.134 39 F HA -0.057 4.471 4.527 0.002 0.000 0.299 39 F C 1.830 177.629 175.800 -0.002 0.000 1.097 39 F CA 0.901 58.908 58.000 0.012 0.000 1.264 39 F CB -0.491 38.490 39.000 -0.032 0.000 1.001 39 F HN 0.162 8.462 8.300 -0.000 0.000 0.479 40 F N 0.305 120.288 119.950 0.055 0.000 2.046 40 F HA -0.239 4.290 4.527 0.002 0.000 0.297 40 F C 1.933 177.592 175.800 -0.235 0.000 1.123 40 F CA 1.831 59.743 58.000 -0.148 0.000 1.199 40 F CB -1.203 37.567 39.000 -0.384 0.000 0.972 40 F HN -0.028 8.272 8.300 -0.000 0.000 0.474 41 F N 0.678 120.444 119.950 -0.306 0.000 2.134 41 F HA -0.078 4.451 4.527 0.002 0.000 0.299 41 F C 2.634 178.186 175.800 -0.414 0.000 1.097 41 F CA 1.316 59.053 58.000 -0.439 0.000 1.264 41 F CB -1.557 37.315 39.000 -0.213 0.000 1.001 41 F HN 0.104 8.404 8.300 -0.000 0.000 0.479 42 A N -0.068 122.663 122.820 -0.150 0.000 1.902 42 A HA -0.032 4.289 4.320 0.003 0.000 0.217 42 A C 2.428 179.812 177.584 -0.333 0.000 1.181 42 A CA 1.770 53.660 52.037 -0.245 0.000 0.623 42 A CB -1.280 17.579 19.000 -0.235 0.000 0.818 42 A HN 0.300 8.450 8.150 -0.000 0.000 0.443 43 A N -0.386 122.162 122.820 -0.454 0.000 1.855 43 A HA -0.018 4.304 4.320 0.003 0.000 0.215 43 A C 2.126 179.523 177.584 -0.311 0.000 1.191 43 A CA 1.705 53.489 52.037 -0.421 0.000 0.613 43 A CB -0.790 17.919 19.000 -0.486 0.000 0.829 43 A HN 0.749 8.899 8.150 -0.000 0.000 0.442 44 L N 0.304 121.288 121.223 -0.398 0.000 2.081 44 L HA -0.091 4.250 4.340 0.003 0.000 0.212 44 L C 2.305 179.029 176.870 -0.243 0.000 1.080 44 L CA 2.426 57.051 54.840 -0.358 0.000 0.754 44 L CB -1.010 40.694 42.059 -0.591 0.000 0.893 44 L HN 0.316 8.546 8.230 -0.000 0.000 0.433 45 G N -0.596 108.055 108.800 -0.250 0.000 2.394 45 G HA2 -0.185 3.777 3.960 0.003 0.000 0.215 45 G HA3 -0.185 3.777 3.960 0.003 0.000 0.215 45 G C 1.620 176.430 174.900 -0.150 0.000 1.165 45 G CA 0.933 45.912 45.100 -0.202 0.000 0.784 45 G HN 0.469 8.759 8.290 -0.000 0.000 0.535 46 I N 0.441 120.917 120.570 -0.158 0.000 2.315 46 I HA -0.092 4.079 4.170 0.003 0.000 0.248 46 I C 2.609 178.705 176.117 -0.034 0.000 1.117 46 I CA 0.652 61.892 61.300 -0.100 0.000 1.404 46 I CB -0.146 37.780 38.000 -0.123 0.000 1.071 46 I HN 0.142 8.352 8.210 -0.000 0.000 0.419 47 I N 0.485 121.022 120.570 -0.056 0.000 2.179 47 I HA -0.299 3.873 4.170 0.003 0.000 0.242 47 I C 2.426 178.583 176.117 0.066 0.000 1.088 47 I CA 1.492 62.791 61.300 -0.002 0.000 1.357 47 I CB -0.237 37.728 38.000 -0.058 0.000 1.051 47 I HN 0.186 8.396 8.210 -0.000 0.000 0.409 48 L N 0.263 121.505 121.223 0.032 0.000 2.191 48 L HA -0.218 4.123 4.340 0.003 0.000 0.212 48 L C 2.421 179.383 176.870 0.153 0.000 1.103 48 L CA 1.305 56.218 54.840 0.122 0.000 0.769 48 L CB -0.348 41.740 42.059 0.048 0.000 0.908 48 L HN 0.282 8.512 8.230 -0.000 0.000 0.438 49 I N -0.420 120.195 120.570 0.076 0.000 2.233 49 I HA -0.207 3.965 4.170 0.003 0.000 0.243 49 I C 2.752 178.918 176.117 0.081 0.000 1.093 49 I CA 0.989 62.326 61.300 0.061 0.000 1.380 49 I CB -0.391 37.622 38.000 0.023 0.000 1.067 49 I HN 0.157 8.367 8.210 -0.000 0.000 0.413 50 A N 0.028 122.938 122.820 0.151 0.000 2.024 50 A HA -0.263 4.059 4.320 0.003 0.000 0.220 50 A C 2.085 179.791 177.584 0.204 0.000 1.164 50 A CA 1.361 53.549 52.037 0.251 0.000 0.643 50 A CB -0.985 18.270 19.000 0.425 0.000 0.806 50 A HN 0.674 8.824 8.150 -0.000 0.000 0.451 51 W N 0.396 121.712 121.300 0.027 0.000 2.418 51 W HA -0.027 4.634 4.660 0.002 0.000 0.292 51 W C 2.527 179.005 176.519 -0.069 0.000 1.213 51 W CA 1.024 58.371 57.345 0.002 0.000 1.283 51 W CB -0.584 28.882 29.460 0.011 0.000 1.119 51 W HN 0.263 8.443 8.180 -0.000 0.000 0.542 52 S N -0.066 115.577 115.700 -0.094 0.000 2.423 52 S HA -0.106 4.365 4.470 0.003 0.000 0.231 52 S C 2.009 176.446 174.600 -0.271 0.000 1.014 52 S CA 1.424 59.474 58.200 -0.250 0.000 0.965 52 S CB -0.610 62.529 63.200 -0.101 0.000 0.785 52 S HN 0.267 8.577 8.310 -0.000 0.000 0.495 53 A N 0.740 123.386 122.820 -0.291 0.000 1.898 53 A HA -0.006 4.315 4.320 0.003 0.000 0.216 53 A C 2.250 179.490 177.584 -0.573 0.000 1.181 53 A CA 1.674 53.433 52.037 -0.463 0.000 0.620 53 A CB -0.949 17.628 19.000 -0.704 0.000 0.819 53 A HN 0.416 8.566 8.150 -0.000 0.000 0.442 54 V N 0.460 120.051 119.914 -0.539 0.000 2.233 54 V HA -0.292 3.829 4.120 0.003 0.000 0.247 54 V C 2.520 178.451 176.094 -0.273 0.000 1.050 54 V CA 2.086 64.181 62.300 -0.342 0.000 1.010 54 V CB -1.006 30.791 31.823 -0.042 0.000 0.637 54 V HN 0.586 8.776 8.190 -0.000 0.000 0.444 55 L N -0.284 120.727 121.223 -0.353 0.000 2.261 55 L HA -0.252 4.089 4.340 0.003 0.000 0.216 55 L C 2.564 179.298 176.870 -0.227 0.000 1.114 55 L CA 1.735 56.384 54.840 -0.319 0.000 0.777 55 L CB -0.552 41.223 42.059 -0.474 0.000 0.910 55 L HN 0.477 8.707 8.230 -0.000 0.000 0.440 56 Q N 0.352 120.013 119.800 -0.233 0.000 2.163 56 Q HA 0.015 4.356 4.340 0.003 0.000 0.198 56 Q C 0.985 176.894 176.000 -0.151 0.000 0.954 56 Q CA 0.800 56.503 55.803 -0.167 0.000 0.851 56 Q CB 0.465 29.111 28.738 -0.154 0.000 0.928 56 Q HN 0.460 8.730 8.270 -0.000 0.000 0.459 57 G N 0.879 109.557 108.800 -0.202 0.000 2.467 57 G HA2 -0.178 3.784 3.960 0.003 0.000 0.242 57 G HA3 -0.178 3.784 3.960 0.003 0.000 0.242 57 G C -0.273 174.530 174.900 -0.162 0.000 1.127 57 G CA 0.403 45.410 45.100 -0.155 0.000 0.924 57 G HN 0.443 8.733 8.290 -0.000 0.000 0.499 58 T N -1.973 112.392 114.554 -0.314 0.000 2.927 58 T HA 0.465 4.817 4.350 0.003 0.000 0.350 58 T C -1.116 173.314 174.700 -0.449 0.000 1.746 58 T CA -0.148 61.811 62.100 -0.235 0.000 1.081 58 T CB 0.632 69.443 68.868 -0.094 0.000 1.551 58 T HN 0.678 8.918 8.240 -0.000 0.000 0.489 59 W N 3.047 124.371 121.300 0.040 0.000 2.506 59 W HA 0.439 5.101 4.660 0.004 0.000 0.394 59 W C 0.707 177.253 176.519 0.046 0.000 0.920 59 W CA -0.681 56.689 57.345 0.041 0.000 2.221 59 W CB 0.604 30.086 29.460 0.036 0.000 1.197 59 W HN 0.487 8.667 8.180 -0.000 0.000 0.627 60 N N 1.690 120.494 118.700 0.174 0.000 2.422 60 N HA 0.147 4.889 4.740 0.003 0.000 0.266 60 N C -1.810 173.783 175.510 0.138 0.000 1.007 60 N CA -1.571 51.570 53.050 0.152 0.000 0.941 60 N CB 2.129 40.687 38.487 0.119 0.000 1.115 60 N HN -0.165 8.215 8.380 -0.000 0.000 0.492 61 P HA -0.140 4.280 4.420 -0.000 0.000 0.216 61 P C 0.970 178.366 177.300 0.159 0.000 1.150 61 P CA 1.277 64.456 63.100 0.132 0.000 0.843 61 P CB 0.386 32.156 31.700 0.117 0.000 0.787 62 Q N -1.540 118.384 119.800 0.207 0.000 2.297 62 Q HA -0.005 4.337 4.340 0.003 0.000 0.204 62 Q C 1.644 177.826 176.000 0.303 0.000 0.962 62 Q CA 0.937 56.940 55.803 0.333 0.000 0.879 62 Q CB -0.379 28.549 28.738 0.318 0.000 0.947 62 Q HN 0.317 8.587 8.270 -0.000 0.000 0.462 63 L N -0.119 121.215 121.223 0.185 0.000 2.425 63 L HA 0.231 4.573 4.340 0.003 0.000 0.215 63 L C 1.081 178.020 176.870 0.115 0.000 1.065 63 L CA 0.088 55.014 54.840 0.144 0.000 0.842 63 L CB -0.422 41.691 42.059 0.090 0.000 1.033 63 L HN 0.094 8.324 8.230 -0.000 0.000 0.474 64 I N 0.466 121.086 120.570 0.084 0.000 2.845 64 I HA -0.051 4.121 4.170 0.003 0.000 0.296 64 I C 0.599 176.757 176.117 0.068 0.000 1.216 64 I CA 0.803 62.128 61.300 0.042 0.000 1.438 64 I CB 0.257 38.271 38.000 0.024 0.000 1.342 64 I HN 0.115 8.325 8.210 -0.000 0.000 0.577 65 S N 5.345 121.078 115.700 0.056 0.000 2.584 65 S HA 0.425 4.896 4.470 0.003 0.000 0.280 65 S C -1.018 173.594 174.600 0.020 0.000 1.162 65 S CA -0.686 57.528 58.200 0.023 0.000 0.951 65 S CB 1.226 64.450 63.200 0.039 0.000 1.108 65 S HN 0.278 8.588 8.310 -0.000 0.000 0.464 66 V N 6.287 126.182 119.914 -0.031 0.000 2.328 66 V HA 0.467 4.589 4.120 0.003 0.000 0.278 66 V C -0.924 175.110 176.094 -0.100 0.000 1.021 66 V CA -0.439 61.876 62.300 0.025 0.000 0.838 66 V CB 0.169 32.053 31.823 0.103 0.000 0.999 66 V HN 0.835 9.025 8.190 -0.000 0.000 0.447 67 Y N 6.926 127.163 120.300 -0.104 0.000 2.335 67 Y HA 0.486 5.038 4.550 0.003 0.000 0.323 67 Y C -1.655 173.939 175.900 -0.510 0.000 1.224 67 Y CA -2.273 55.659 58.100 -0.280 0.000 1.241 67 Y CB 1.106 39.459 38.460 -0.180 0.000 1.235 67 Y HN 0.409 8.689 8.280 -0.000 0.000 0.492 68 P HA 0.213 4.633 4.420 -0.000 0.000 0.279 68 P C -2.731 174.318 177.300 -0.419 0.000 1.276 68 P CA -1.916 60.480 63.100 -1.175 0.000 0.801 68 P CB 0.406 30.970 31.700 -1.894 0.000 1.127 69 P HA 0.069 4.489 4.420 -0.000 0.000 0.266 69 P C -0.191 177.172 177.300 0.106 0.000 1.195 69 P CA 0.457 63.568 63.100 0.018 0.000 0.768 69 P CB -0.005 31.743 31.700 0.079 0.000 0.838 70 A N 3.184 126.150 122.820 0.243 0.000 2.406 70 A HA 0.087 4.408 4.320 0.003 0.000 0.243 70 A C 1.607 179.170 177.584 -0.035 0.000 1.082 70 A CA -0.229 51.823 52.037 0.026 0.000 0.786 70 A CB -0.522 18.448 19.000 -0.050 0.000 1.029 70 A HN 0.658 8.808 8.150 -0.000 0.000 0.495 71 L N 0.184 121.322 121.223 -0.142 0.000 2.103 71 L HA -0.285 4.057 4.340 0.003 0.000 0.215 71 L C 2.275 179.060 176.870 -0.142 0.000 1.080 71 L CA 1.987 56.711 54.840 -0.194 0.000 0.764 71 L CB -0.678 41.249 42.059 -0.220 0.000 0.890 71 L HN 0.810 9.040 8.230 -0.000 0.000 0.435 72 E N -0.669 119.412 120.200 -0.198 0.000 2.171 72 E HA -0.226 4.126 4.350 0.003 0.000 0.197 72 E C 1.794 178.266 176.600 -0.212 0.000 0.997 72 E CA 1.328 57.577 56.400 -0.251 0.000 0.810 72 E CB -0.376 29.090 29.700 -0.390 0.000 0.738 72 E HN 0.503 8.863 8.360 -0.000 0.000 0.467 73 Y N 0.154 120.445 120.300 -0.015 0.000 2.616 73 Y HA 0.105 4.657 4.550 0.003 0.000 0.296 73 Y C 1.844 177.775 175.900 0.052 0.000 1.154 73 Y CA 0.577 58.697 58.100 0.032 0.000 1.325 73 Y CB -0.604 37.894 38.460 0.063 0.000 1.007 73 Y HN 0.109 8.389 8.280 -0.000 0.000 0.542 74 G N 0.834 109.700 108.800 0.110 0.000 2.651 74 G HA2 -0.351 3.611 3.960 0.003 0.000 0.315 74 G HA3 -0.351 3.611 3.960 0.003 0.000 0.315 74 G C 0.508 175.400 174.900 -0.013 0.000 1.258 74 G CA 0.624 45.740 45.100 0.026 0.000 1.002 74 G HN 0.294 8.584 8.290 -0.000 0.000 0.551 75 L N 2.419 123.606 121.223 -0.061 0.000 2.928 75 L HA 0.498 4.840 4.340 0.003 0.000 0.246 75 L C 1.527 178.603 176.870 0.343 0.000 1.239 75 L CA 0.160 54.878 54.840 -0.203 0.000 1.035 75 L CB -0.262 41.592 42.059 -0.342 0.000 1.360 75 L HN 0.707 8.937 8.230 -0.000 0.000 0.529 76 G N -0.820 108.196 108.800 0.361 0.000 2.613 76 G HA2 0.546 4.508 3.960 0.003 0.000 0.303 76 G HA3 0.546 4.508 3.960 0.003 0.000 0.303 76 G C 0.088 175.151 174.900 0.271 0.000 1.312 76 G CA -0.178 45.103 45.100 0.301 0.000 1.036 76 G HN 0.148 8.438 8.290 -0.000 0.000 0.513 77 G N -1.705 107.166 108.800 0.119 0.000 2.621 77 G HA2 0.659 4.621 3.960 0.003 0.000 0.271 77 G HA3 0.659 4.621 3.960 0.003 0.000 0.271 77 G C -0.273 174.533 174.900 -0.155 0.000 1.236 77 G CA 0.540 45.632 45.100 -0.014 0.000 0.958 77 G HN 1.525 9.815 8.290 -0.000 0.000 0.512 78 A N -0.537 122.121 122.820 -0.270 0.000 2.612 78 A HA 0.752 5.074 4.320 0.003 0.000 0.293 78 A C -2.998 174.401 177.584 -0.310 0.000 1.075 78 A CA -1.110 50.600 52.037 -0.546 0.000 0.680 78 A CB 1.029 19.430 19.000 -0.999 0.000 1.279 78 A HN 0.492 8.642 8.150 -0.000 0.000 0.411 79 P HA 0.124 4.544 4.420 -0.000 0.000 0.262 79 P C 0.958 178.195 177.300 -0.106 0.000 1.182 79 P CA 0.058 63.092 63.100 -0.110 0.000 0.761 79 P CB 0.305 31.973 31.700 -0.053 0.000 0.795 80 L N 2.307 123.504 121.223 -0.043 0.000 2.270 80 L HA -0.281 4.060 4.340 0.003 0.000 0.217 80 L C 1.915 178.719 176.870 -0.110 0.000 1.107 80 L CA 1.876 56.704 54.840 -0.021 0.000 0.772 80 L CB -0.675 41.454 42.059 0.118 0.000 0.902 80 L HN 0.456 8.686 8.230 -0.000 0.000 0.439 81 A N -0.805 121.936 122.820 -0.132 0.000 2.169 81 A HA 0.040 4.361 4.320 0.003 0.000 0.210 81 A C 1.463 178.982 177.584 -0.108 0.000 1.168 81 A CA 0.235 52.170 52.037 -0.170 0.000 0.813 81 A CB 0.165 19.062 19.000 -0.171 0.000 0.861 81 A HN 0.268 8.418 8.150 -0.000 0.000 0.481 82 K N -0.643 119.706 120.400 -0.086 0.000 3.045 82 K HA 0.415 4.736 4.320 0.003 0.000 0.211 82 K C 0.645 177.185 176.600 -0.099 0.000 1.141 82 K CA 0.329 56.589 56.287 -0.045 0.000 1.036 82 K CB 0.511 33.043 32.500 0.053 0.000 0.851 82 K HN 0.427 8.677 8.250 -0.000 0.000 0.462 83 G N 0.010 108.749 108.800 -0.102 0.000 2.796 83 G HA2 -0.251 3.710 3.960 0.003 0.000 0.198 83 G HA3 -0.251 3.710 3.960 0.003 0.000 0.198 83 G C 1.106 175.958 174.900 -0.080 0.000 1.062 83 G CA -0.182 44.846 45.100 -0.119 0.000 0.752 83 G HN 0.388 8.678 8.290 -0.000 0.000 0.487 84 G N 0.861 109.578 108.800 -0.138 0.000 2.469 84 G HA2 -0.004 3.958 3.960 0.003 0.000 0.220 84 G HA3 -0.004 3.958 3.960 0.003 0.000 0.220 84 G C 1.779 176.661 174.900 -0.030 0.000 1.136 84 G CA 1.743 46.783 45.100 -0.101 0.000 0.759 84 G HN 0.776 9.066 8.290 -0.000 0.000 0.562 85 L N -0.758 120.466 121.223 0.002 0.000 2.083 85 L HA 0.077 4.419 4.340 0.003 0.000 0.209 85 L C 2.406 179.298 176.870 0.036 0.000 1.083 85 L CA 1.487 56.349 54.840 0.037 0.000 0.752 85 L CB -0.643 41.429 42.059 0.021 0.000 0.899 85 L HN 0.517 8.747 8.230 -0.000 0.000 0.433 86 W N 0.119 121.323 121.300 -0.159 0.000 2.358 86 W HA -0.236 4.425 4.660 0.003 0.000 0.303 86 W C 2.483 178.865 176.519 -0.228 0.000 1.208 86 W CA 1.769 58.984 57.345 -0.217 0.000 1.274 86 W CB -0.113 29.152 29.460 -0.325 0.000 1.138 86 W HN 0.208 8.388 8.180 -0.000 0.000 0.515 87 Q N -0.197 119.630 119.800 0.044 0.000 2.061 87 Q HA -0.258 4.083 4.340 0.003 0.000 0.204 87 Q C 2.050 177.859 176.000 -0.317 0.000 0.984 87 Q CA 1.990 57.660 55.803 -0.223 0.000 0.846 87 Q CB -0.491 28.108 28.738 -0.232 0.000 0.902 87 Q HN 0.320 8.590 8.270 -0.000 0.000 0.421 88 I N 0.611 121.066 120.570 -0.192 0.000 2.252 88 I HA -0.226 3.946 4.170 0.003 0.000 0.245 88 I C 2.304 178.296 176.117 -0.207 0.000 1.102 88 I CA 1.313 62.518 61.300 -0.158 0.000 1.385 88 I CB -1.091 36.865 38.000 -0.074 0.000 1.064 88 I HN 0.239 8.449 8.210 -0.000 0.000 0.414 89 I N 0.720 121.156 120.570 -0.223 0.000 2.361 89 I HA -0.270 3.901 4.170 0.003 0.000 0.251 89 I C 2.458 178.360 176.117 -0.360 0.000 1.133 89 I CA 1.357 62.511 61.300 -0.245 0.000 1.413 89 I CB -0.624 37.282 38.000 -0.156 0.000 1.073 89 I HN 0.224 8.434 8.210 -0.000 0.000 0.424 90 T N 1.296 115.541 114.554 -0.515 0.000 2.777 90 T HA -0.081 4.271 4.350 0.003 0.000 0.266 90 T C 2.004 176.469 174.700 -0.392 0.000 1.040 90 T CA 1.046 62.817 62.100 -0.548 0.000 1.141 90 T CB -0.069 68.220 68.868 -0.964 0.000 0.868 90 T HN 0.141 8.381 8.240 -0.000 0.000 0.444 91 I N 1.281 121.642 120.570 -0.348 0.000 2.208 91 I HA -0.173 3.998 4.170 0.003 0.000 0.245 91 I C 2.659 178.596 176.117 -0.300 0.000 1.097 91 I CA 1.068 62.213 61.300 -0.259 0.000 1.363 91 I CB -1.377 36.523 38.000 -0.165 0.000 1.051 91 I HN 0.360 8.570 8.210 -0.000 0.000 0.413 92 C N 0.794 119.927 119.300 -0.277 0.000 2.440 92 C HA -0.041 4.420 4.460 0.003 0.000 0.278 92 C C 3.174 177.860 174.990 -0.507 0.000 1.295 92 C CA 0.742 59.602 59.018 -0.263 0.000 1.738 92 C CB -1.190 26.434 27.740 -0.193 0.000 1.987 92 C HN 0.594 8.824 8.230 -0.000 0.000 0.492 93 A N 0.654 123.104 122.820 -0.616 0.000 1.877 93 A HA -0.163 4.158 4.320 0.003 0.000 0.216 93 A C 2.205 179.024 177.584 -1.274 0.000 1.186 93 A CA 2.494 53.889 52.037 -1.069 0.000 0.620 93 A CB -1.190 17.198 19.000 -1.019 0.000 0.822 93 A HN 0.545 8.695 8.150 -0.000 0.000 0.443 94 T N -0.116 114.035 114.554 -0.672 0.000 2.720 94 T HA -0.080 4.271 4.350 0.003 0.000 0.268 94 T C 1.942 176.359 174.700 -0.471 0.000 1.037 94 T CA 1.553 63.422 62.100 -0.385 0.000 1.144 94 T CB -0.677 68.074 68.868 -0.195 0.000 0.864 94 T HN 0.588 8.828 8.240 -0.000 0.000 0.444 95 G N 0.923 109.264 108.800 -0.765 0.000 2.408 95 G HA2 0.003 3.964 3.960 0.003 0.000 0.217 95 G HA3 0.003 3.964 3.960 0.003 0.000 0.217 95 G C 1.805 176.176 174.900 -0.882 0.000 1.150 95 G CA 0.817 45.179 45.100 -1.231 0.000 0.776 95 G HN 0.588 8.878 8.290 -0.000 0.000 0.542 96 A N 0.323 122.740 122.820 -0.673 0.000 1.930 96 A HA 0.207 4.528 4.320 0.003 0.000 0.217 96 A C 2.113 179.768 177.584 0.117 0.000 1.175 96 A CA 1.184 53.121 52.037 -0.166 0.000 0.627 96 A CB -0.389 18.464 19.000 -0.245 0.000 0.815 96 A HN 0.237 8.387 8.150 -0.000 0.000 0.443 97 F N -0.161 119.760 119.950 -0.048 0.000 2.098 97 F HA -0.061 4.467 4.527 0.002 0.000 0.294 97 F C 2.546 178.452 175.800 0.176 0.000 1.107 97 F CA 0.640 58.695 58.000 0.092 0.000 1.234 97 F CB -1.299 37.637 39.000 -0.107 0.000 1.002 97 F HN 0.009 8.309 8.300 -0.000 0.000 0.472 98 V N -0.486 119.542 119.914 0.189 0.000 2.332 98 V HA -0.283 3.838 4.120 0.003 0.000 0.248 98 V C 2.403 178.576 176.094 0.132 0.000 1.055 98 V CA 2.143 64.501 62.300 0.097 0.000 1.038 98 V CB -1.033 30.791 31.823 0.000 0.000 0.651 98 V HN 0.299 8.489 8.190 -0.000 0.000 0.450 99 S N -1.530 114.282 115.700 0.187 0.000 2.399 99 S HA -0.218 4.254 4.470 0.003 0.000 0.231 99 S C 1.586 176.354 174.600 0.279 0.000 1.022 99 S CA 1.388 59.750 58.200 0.270 0.000 0.983 99 S CB -0.375 63.068 63.200 0.406 0.000 0.803 99 S HN 0.779 9.089 8.310 -0.000 0.000 0.480 100 W N 2.264 123.689 121.300 0.208 0.000 2.358 100 W HA -0.145 4.516 4.660 0.002 0.000 0.303 100 W C 2.411 179.058 176.519 0.213 0.000 1.208 100 W CA 1.300 58.778 57.345 0.221 0.000 1.274 100 W CB -0.505 29.122 29.460 0.279 0.000 1.138 100 W HN 0.348 8.528 8.180 -0.000 0.000 0.515 101 A N 0.954 124.043 122.820 0.448 0.000 1.845 101 A HA -0.209 4.112 4.320 0.003 0.000 0.215 101 A C 2.160 179.765 177.584 0.035 0.000 1.195 101 A CA 1.839 54.068 52.037 0.320 0.000 0.616 101 A CB -1.304 17.867 19.000 0.285 0.000 0.832 101 A HN 0.304 8.454 8.150 -0.000 0.000 0.443 102 L N -0.939 120.208 121.223 -0.126 0.000 2.127 102 L HA -0.217 4.124 4.340 0.003 0.000 0.211 102 L C 2.800 179.515 176.870 -0.258 0.000 1.089 102 L CA 1.817 56.408 54.840 -0.415 0.000 0.757 102 L CB -0.489 40.888 42.059 -1.137 0.000 0.899 102 L HN 0.517 8.747 8.230 -0.000 0.000 0.434 103 R N 0.504 120.942 120.500 -0.103 0.000 2.092 103 R HA -0.162 4.180 4.340 0.003 0.000 0.231 103 R C 2.064 178.336 176.300 -0.046 0.000 1.119 103 R CA 1.322 57.431 56.100 0.015 0.000 0.970 103 R CB -0.035 30.215 30.300 -0.084 0.000 0.864 103 R HN 0.391 8.661 8.270 -0.000 0.000 0.440 104 E N -0.157 119.970 120.200 -0.122 0.000 2.110 104 E HA -0.160 4.191 4.350 0.003 0.000 0.193 104 E C 1.963 178.581 176.600 0.030 0.000 0.988 104 E CA 1.488 57.845 56.400 -0.071 0.000 0.804 104 E CB 0.082 29.763 29.700 -0.033 0.000 0.745 104 E HN 0.176 8.536 8.360 -0.000 0.000 0.458 105 V N 1.709 121.646 119.914 0.039 0.000 2.343 105 V HA -0.262 3.859 4.120 0.003 0.000 0.247 105 V C 2.077 178.240 176.094 0.115 0.000 1.051 105 V CA 1.834 64.187 62.300 0.087 0.000 1.036 105 V CB -0.465 31.321 31.823 -0.061 0.000 0.654 105 V HN 0.253 8.443 8.190 -0.000 0.000 0.451 106 E N -0.113 120.136 120.200 0.082 0.000 2.077 106 E HA -0.197 4.155 4.350 0.003 0.000 0.193 106 E C 2.206 178.789 176.600 -0.030 0.000 0.989 106 E CA 1.513 57.967 56.400 0.091 0.000 0.800 106 E CB -0.201 29.621 29.700 0.203 0.000 0.746 106 E HN 0.564 8.924 8.360 -0.000 0.000 0.452 107 I N 0.731 121.255 120.570 -0.077 0.000 2.315 107 I HA -0.289 3.882 4.170 0.003 0.000 0.248 107 I C 2.505 178.590 176.117 -0.053 0.000 1.117 107 I CA 0.572 61.773 61.300 -0.165 0.000 1.404 107 I CB -0.315 37.612 38.000 -0.122 0.000 1.071 107 I HN 0.233 8.443 8.210 -0.000 0.000 0.419 108 C N 0.812 120.135 119.300 0.039 0.000 2.432 108 C HA -0.146 4.316 4.460 0.003 0.000 0.277 108 C C 2.923 177.937 174.990 0.040 0.000 1.249 108 C CA 0.859 59.907 59.018 0.049 0.000 1.725 108 C CB -1.165 26.670 27.740 0.160 0.000 2.028 108 C HN 0.438 8.668 8.230 -0.000 0.000 0.477 109 R N 0.933 121.519 120.500 0.144 0.000 2.105 109 R HA -0.176 4.165 4.340 0.003 0.000 0.239 109 R C 2.212 178.546 176.300 0.056 0.000 1.135 109 R CA 1.634 57.813 56.100 0.133 0.000 0.967 109 R CB -0.329 30.074 30.300 0.171 0.000 0.861 109 R HN 0.582 8.852 8.270 -0.000 0.000 0.442 110 K N 1.122 121.529 120.400 0.012 0.000 2.025 110 K HA -0.081 4.241 4.320 0.003 0.000 0.207 110 K C 1.757 178.387 176.600 0.051 0.000 1.049 110 K CA 1.146 57.440 56.287 0.012 0.000 0.933 110 K CB 0.021 32.477 32.500 -0.074 0.000 0.714 110 K HN 0.113 8.363 8.250 -0.000 0.000 0.438 111 L N 0.068 121.308 121.223 0.027 0.000 2.552 111 L HA 0.114 4.455 4.340 0.003 0.000 0.227 111 L C 0.984 177.872 176.870 0.030 0.000 1.146 111 L CA 0.504 55.370 54.840 0.044 0.000 0.858 111 L CB -0.127 41.922 42.059 -0.016 0.000 0.969 111 L HN 0.628 8.858 8.230 -0.000 0.000 0.451 112 G N 1.564 110.366 108.800 0.003 0.000 2.198 112 G HA2 -0.293 3.669 3.960 0.003 0.000 0.260 112 G HA3 -0.293 3.669 3.960 0.003 0.000 0.260 112 G C 0.289 175.144 174.900 -0.075 0.000 1.025 112 G CA 0.735 45.820 45.100 -0.024 0.000 0.769 112 G HN 0.507 8.797 8.290 -0.000 0.000 0.507 113 I N -2.507 117.993 120.570 -0.116 0.000 3.501 113 I HA 0.919 5.090 4.170 0.003 0.000 0.297 113 I C 1.067 177.024 176.117 -0.267 0.000 1.199 113 I CA -0.907 60.313 61.300 -0.134 0.000 0.987 113 I CB 0.981 38.930 38.000 -0.084 0.000 1.365 113 I HN 0.151 8.361 8.210 -0.000 0.000 0.574 114 G N 0.142 108.847 108.800 -0.158 0.000 2.651 114 G HA2 0.222 4.184 3.960 0.003 0.000 0.260 114 G HA3 0.222 4.184 3.960 0.003 0.000 0.260 114 G C -0.712 174.022 174.900 -0.277 0.000 1.216 114 G CA -0.315 44.667 45.100 -0.197 0.000 0.913 114 G HN 0.680 8.970 8.290 -0.000 0.000 0.535 115 Y N -0.743 119.527 120.300 -0.050 0.000 2.571 115 Y HA 0.192 4.743 4.550 0.002 0.000 0.275 115 Y C 2.066 177.959 175.900 -0.012 0.000 1.179 115 Y CA -0.360 57.722 58.100 -0.031 0.000 1.242 115 Y CB -0.317 38.109 38.460 -0.057 0.000 1.126 115 Y HN 0.623 8.903 8.280 -0.000 0.000 0.524 116 H N -0.452 118.707 119.070 0.148 0.000 2.353 116 H HA -0.192 4.365 4.556 0.002 0.000 0.298 116 H C 2.057 177.543 175.328 0.264 0.000 1.103 116 H CA 2.328 58.481 56.048 0.176 0.000 1.293 116 H CB -0.271 29.538 29.762 0.078 0.000 1.372 116 H HN 0.311 8.591 8.280 -0.000 0.000 0.501 117 I N 0.674 121.434 120.570 0.316 0.000 2.076 117 I HA -0.207 3.965 4.170 0.003 0.000 0.237 117 I C -0.383 175.917 176.117 0.305 0.000 1.059 117 I CA 1.239 62.694 61.300 0.259 0.000 1.317 117 I CB -1.236 36.870 38.000 0.177 0.000 1.037 117 I HN 0.292 8.502 8.210 -0.000 0.000 0.398 118 P HA -0.236 4.184 4.420 -0.000 0.000 0.218 118 P C 1.780 179.280 177.300 0.333 0.000 1.148 118 P CA 1.678 64.972 63.100 0.323 0.000 0.822 118 P CB -0.269 31.573 31.700 0.237 0.000 0.784 119 F N 1.504 121.571 119.950 0.195 0.000 2.134 119 F HA -0.072 4.457 4.527 0.002 0.000 0.299 119 F C 2.342 178.320 175.800 0.296 0.000 1.097 119 F CA 1.581 59.695 58.000 0.190 0.000 1.264 119 F CB -0.831 38.252 39.000 0.138 0.000 1.001 119 F HN -0.079 8.221 8.300 -0.000 0.000 0.479 120 A N 0.140 123.150 122.820 0.316 0.000 1.873 120 A HA -0.193 4.128 4.320 0.003 0.000 0.215 120 A C 2.129 179.874 177.584 0.269 0.000 1.186 120 A CA 1.455 53.617 52.037 0.208 0.000 0.616 120 A CB -1.645 17.477 19.000 0.203 0.000 0.823 120 A HN 0.495 8.645 8.150 -0.000 0.000 0.442 121 F N 1.515 121.539 119.950 0.123 0.000 2.161 121 F HA -0.146 4.383 4.527 0.003 0.000 0.300 121 F C 2.418 178.262 175.800 0.073 0.000 1.089 121 F CA 0.801 58.860 58.000 0.099 0.000 1.282 121 F CB -0.753 38.325 39.000 0.131 0.000 1.010 121 F HN 0.247 8.547 8.300 -0.000 0.000 0.485 122 A N -0.412 122.371 122.820 -0.062 0.000 2.032 122 A HA -0.210 4.111 4.320 0.003 0.000 0.221 122 A C 2.105 179.536 177.584 -0.255 0.000 1.165 122 A CA 1.636 53.520 52.037 -0.256 0.000 0.645 122 A CB -1.507 17.356 19.000 -0.227 0.000 0.807 122 A HN 0.407 8.557 8.150 -0.000 0.000 0.453 123 F N -0.050 119.763 119.950 -0.228 0.000 2.146 123 F HA -0.049 4.480 4.527 0.002 0.000 0.298 123 F C 2.733 178.478 175.800 -0.092 0.000 1.096 123 F CA 0.951 58.863 58.000 -0.147 0.000 1.275 123 F CB -0.527 38.401 39.000 -0.120 0.000 1.008 123 F HN 0.265 8.565 8.300 -0.000 0.000 0.480 124 A N 0.427 123.289 122.820 0.070 0.000 1.877 124 A HA -0.167 4.154 4.320 0.003 0.000 0.216 124 A C 2.251 179.780 177.584 -0.093 0.000 1.186 124 A CA 1.762 53.810 52.037 0.019 0.000 0.620 124 A CB -1.155 17.884 19.000 0.064 0.000 0.822 124 A HN 0.368 8.518 8.150 -0.000 0.000 0.443 125 I N -0.779 119.610 120.570 -0.302 0.000 2.208 125 I HA -0.265 3.907 4.170 0.003 0.000 0.245 125 I C 2.116 178.228 176.117 -0.008 0.000 1.097 125 I CA 1.029 62.205 61.300 -0.206 0.000 1.363 125 I CB -0.338 37.456 38.000 -0.344 0.000 1.051 125 I HN 0.217 8.427 8.210 -0.000 0.000 0.413 126 L N 0.499 121.688 121.223 -0.057 0.000 2.275 126 L HA -0.092 4.249 4.340 0.003 0.000 0.215 126 L C 2.551 179.471 176.870 0.085 0.000 1.119 126 L CA 1.699 56.553 54.840 0.023 0.000 0.790 126 L CB -1.013 40.994 42.059 -0.088 0.000 0.919 126 L HN 0.180 8.410 8.230 -0.000 0.000 0.443 127 A N -1.500 121.370 122.820 0.083 0.000 1.898 127 A HA -0.232 4.089 4.320 0.003 0.000 0.214 127 A C 2.262 179.945 177.584 0.165 0.000 1.183 127 A CA 1.193 53.306 52.037 0.126 0.000 0.622 127 A CB -0.881 18.205 19.000 0.142 0.000 0.824 127 A HN 0.440 8.589 8.150 -0.000 0.000 0.444 128 Y N 0.358 120.690 120.300 0.054 0.000 2.097 128 Y HA -0.192 4.360 4.550 0.003 0.000 0.282 128 Y C 1.839 177.782 175.900 0.072 0.000 1.152 128 Y CA 1.767 59.932 58.100 0.108 0.000 1.136 128 Y CB -0.503 38.011 38.460 0.091 0.000 0.975 128 Y HN 0.171 8.451 8.280 -0.000 0.000 0.498 129 L N 0.192 121.306 121.223 -0.183 0.000 2.127 129 L HA -0.208 4.134 4.340 0.003 0.000 0.211 129 L C 2.426 178.971 176.870 -0.541 0.000 1.089 129 L CA 2.272 56.809 54.840 -0.505 0.000 0.757 129 L CB -1.450 40.316 42.059 -0.488 0.000 0.899 129 L HN 0.312 8.542 8.230 -0.000 0.000 0.434 130 T N -0.798 113.688 114.554 -0.114 0.000 2.737 130 T HA -0.132 4.219 4.350 0.003 0.000 0.265 130 T C 1.980 176.745 174.700 0.108 0.000 1.038 130 T CA 1.197 63.380 62.100 0.138 0.000 1.144 130 T CB -0.152 68.846 68.868 0.216 0.000 0.866 130 T HN 0.215 8.455 8.240 -0.000 0.000 0.434 131 L N 0.401 121.691 121.223 0.110 0.000 2.072 131 L HA -0.000 4.341 4.340 0.003 0.000 0.205 131 L C 2.515 179.485 176.870 0.166 0.000 1.079 131 L CA 0.867 55.839 54.840 0.220 0.000 0.752 131 L CB -0.393 41.853 42.059 0.313 0.000 0.906 131 L HN 0.140 8.370 8.230 -0.000 0.000 0.436 132 V N -0.949 118.947 119.914 -0.030 0.000 2.878 132 V HA -0.092 4.029 4.120 0.003 0.000 0.250 132 V C 1.669 177.816 176.094 0.089 0.000 1.075 132 V CA 0.929 63.214 62.300 -0.026 0.000 1.096 132 V CB 0.660 32.245 31.823 -0.396 0.000 0.724 132 V HN 0.267 8.457 8.190 -0.000 0.000 0.467 133 L N -1.609 119.542 121.223 -0.120 0.000 2.783 133 L HA 0.317 4.659 4.340 0.003 0.000 0.174 133 L C 2.034 178.900 176.870 -0.007 0.000 1.235 133 L CA 1.351 56.152 54.840 -0.065 0.000 0.862 133 L CB -0.727 41.092 42.059 -0.401 0.000 1.249 133 L HN 0.159 8.389 8.230 -0.000 0.000 0.518 134 F N 0.914 120.908 119.950 0.074 0.000 2.120 134 F HA -0.137 4.392 4.527 0.003 0.000 0.300 134 F C 2.863 178.692 175.800 0.047 0.000 1.095 134 F CA 1.906 59.933 58.000 0.044 0.000 1.249 134 F CB -1.107 37.906 39.000 0.022 0.000 0.995 134 F HN 0.151 8.451 8.300 -0.000 0.000 0.480 135 R N 0.129 120.776 120.500 0.245 0.000 2.062 135 R HA -0.069 4.272 4.340 0.003 0.000 0.229 135 R C -0.559 175.835 176.300 0.158 0.000 1.128 135 R CA 1.148 57.360 56.100 0.188 0.000 0.960 135 R CB -1.312 29.114 30.300 0.211 0.000 0.855 135 R HN 0.141 8.411 8.270 -0.000 0.000 0.432 136 P HA -0.147 4.273 4.420 -0.000 0.000 0.215 136 P C 1.349 178.646 177.300 -0.004 0.000 1.157 136 P CA 1.162 64.366 63.100 0.173 0.000 0.868 136 P CB 0.038 31.855 31.700 0.195 0.000 0.788 137 V N -0.896 118.960 119.914 -0.098 0.000 2.287 137 V HA -0.290 3.831 4.120 0.003 0.000 0.248 137 V C 2.390 178.461 176.094 -0.038 0.000 1.053 137 V CA 2.004 64.207 62.300 -0.160 0.000 1.027 137 V CB -1.122 30.657 31.823 -0.073 0.000 0.646 137 V HN 0.119 8.309 8.190 -0.000 0.000 0.447 138 M N -1.453 118.168 119.600 0.035 0.000 2.159 138 M HA -0.177 4.304 4.480 0.003 0.000 0.263 138 M C 2.146 178.470 176.300 0.040 0.000 1.063 138 M CA 1.856 57.181 55.300 0.042 0.000 1.110 138 M CB -0.330 32.306 32.600 0.060 0.000 1.374 138 M HN 0.289 8.579 8.290 -0.000 0.000 0.411 139 M N -0.920 118.707 119.600 0.045 0.000 2.492 139 M HA 0.070 4.551 4.480 0.003 0.000 0.262 139 M C 1.244 177.628 176.300 0.140 0.000 1.090 139 M CA 0.972 56.290 55.300 0.030 0.000 1.110 139 M CB 0.082 32.581 32.600 -0.168 0.000 1.407 139 M HN 0.583 8.873 8.290 -0.000 0.000 0.470 140 G N 0.840 109.691 108.800 0.084 0.000 2.157 140 G HA2 -0.089 3.872 3.960 0.003 0.000 0.239 140 G HA3 -0.089 3.872 3.960 0.003 0.000 0.239 140 G C -0.039 174.852 174.900 -0.015 0.000 0.982 140 G CA -0.027 45.092 45.100 0.032 0.000 0.650 140 G HN 0.774 9.064 8.290 -0.000 0.000 0.527 141 A N -1.676 121.142 122.820 -0.003 0.000 2.555 141 A HA 0.592 4.914 4.320 0.003 0.000 0.297 141 A C 0.198 177.691 177.584 -0.151 0.000 1.060 141 A CA 0.183 52.123 52.037 -0.162 0.000 0.710 141 A CB 0.031 18.906 19.000 -0.209 0.000 1.282 141 A HN 0.651 8.801 8.150 -0.000 0.000 0.399 142 W N 1.747 123.030 121.300 -0.027 0.000 2.421 142 W HA 0.058 4.720 4.660 0.003 0.000 0.270 142 W C 2.088 178.447 176.519 -0.267 0.000 1.233 142 W CA 1.101 58.384 57.345 -0.103 0.000 1.226 142 W CB 0.208 29.601 29.460 -0.113 0.000 1.121 142 W HN 0.946 9.126 8.180 -0.000 0.000 0.579 143 G N 0.060 108.800 108.800 -0.101 0.000 2.475 143 G HA2 -0.327 3.634 3.960 0.003 0.000 0.220 143 G HA3 -0.327 3.634 3.960 0.003 0.000 0.220 143 G C 0.933 175.749 174.900 -0.140 0.000 1.125 143 G CA 0.949 45.916 45.100 -0.223 0.000 0.755 143 G HN 0.298 8.588 8.290 -0.000 0.000 0.565 144 Y N 1.287 121.657 120.300 0.117 0.000 2.571 144 Y HA 0.402 4.954 4.550 0.002 0.000 0.294 144 Y C 2.195 178.299 175.900 0.341 0.000 1.141 144 Y CA -0.655 57.598 58.100 0.255 0.000 1.308 144 Y CB -0.617 37.977 38.460 0.224 0.000 1.002 144 Y HN 0.283 8.563 8.280 -0.000 0.000 0.551 145 A N 0.817 123.755 122.820 0.197 0.000 2.346 145 A HA 0.383 4.704 4.320 0.003 0.000 0.255 145 A C -0.077 177.288 177.584 -0.365 0.000 1.113 145 A CA -0.445 51.587 52.037 -0.010 0.000 0.798 145 A CB -0.360 18.573 19.000 -0.113 0.000 1.073 145 A HN 0.293 8.443 8.150 -0.000 0.000 0.502 146 F N -0.734 118.748 119.950 -0.782 0.000 2.403 146 F HA 0.773 5.301 4.527 0.002 0.000 0.326 146 F C -2.511 172.977 175.800 -0.521 0.000 1.081 146 F CA -3.217 54.079 58.000 -1.174 0.000 1.041 146 F CB 0.731 38.818 39.000 -1.521 0.000 1.234 146 F HN 0.304 8.604 8.300 -0.000 0.000 0.503 147 P HA 0.150 4.570 4.420 -0.000 0.000 0.284 147 P C -1.689 175.564 177.300 -0.077 0.000 1.258 147 P CA -0.231 62.603 63.100 -0.444 0.000 0.824 147 P CB 0.915 32.173 31.700 -0.737 0.000 1.038 148 Y N 0.922 121.184 120.300 -0.064 0.000 2.595 148 Y HA 0.583 5.135 4.550 0.003 0.000 0.347 148 Y C 1.252 177.113 175.900 -0.065 0.000 1.025 148 Y CA -0.660 57.414 58.100 -0.044 0.000 1.295 148 Y CB 0.174 38.591 38.460 -0.071 0.000 1.147 148 Y HN 0.509 8.789 8.280 -0.000 0.000 0.515 149 G N 2.113 110.984 108.800 0.118 0.000 2.750 149 G HA2 0.322 4.283 3.960 0.003 0.000 0.298 149 G HA3 0.322 4.283 3.960 0.003 0.000 0.298 149 G C 0.328 175.319 174.900 0.152 0.000 1.412 149 G CA -0.760 44.400 45.100 0.101 0.000 1.078 149 G HN 0.515 8.805 8.290 -0.000 0.000 0.573 150 I N -0.022 120.582 120.570 0.057 0.000 2.143 150 I HA -0.272 3.900 4.170 0.003 0.000 0.245 150 I C 1.971 177.996 176.117 -0.154 0.000 1.068 150 I CA 2.061 63.309 61.300 -0.086 0.000 1.326 150 I CB 0.020 37.856 38.000 -0.272 0.000 1.028 150 I HN 0.660 8.870 8.210 -0.000 0.000 0.412 151 W N -0.049 121.380 121.300 0.215 0.000 2.735 151 W HA -0.030 4.631 4.660 0.002 0.000 0.264 151 W C 2.867 179.484 176.519 0.164 0.000 1.233 151 W CA 0.882 58.318 57.345 0.152 0.000 1.408 151 W CB -0.716 28.809 29.460 0.108 0.000 1.038 151 W HN 0.072 8.252 8.180 -0.000 0.000 0.603 152 T N -1.364 113.417 114.554 0.378 0.000 2.759 152 T HA -0.340 4.011 4.350 0.003 0.000 0.269 152 T C 1.681 176.574 174.700 0.322 0.000 1.042 152 T CA 1.828 64.106 62.100 0.296 0.000 1.140 152 T CB -0.956 67.997 68.868 0.141 0.000 0.864 152 T HN 0.368 8.608 8.240 -0.000 0.000 0.455 153 H N 1.902 121.086 119.070 0.189 0.000 2.457 153 H HA 0.128 4.686 4.556 0.002 0.000 0.294 153 H C 2.064 177.548 175.328 0.259 0.000 1.064 153 H CA 0.835 57.029 56.048 0.242 0.000 1.330 153 H CB -0.707 29.180 29.762 0.209 0.000 1.395 153 H HN 0.374 8.654 8.280 -0.000 0.000 0.541 154 L N 0.663 121.792 121.223 -0.156 0.000 2.156 154 L HA -0.113 4.228 4.340 0.003 0.000 0.208 154 L C 2.079 179.011 176.870 0.104 0.000 1.095 154 L CA 1.144 55.914 54.840 -0.117 0.000 0.770 154 L CB -0.314 41.712 42.059 -0.056 0.000 0.914 154 L HN 0.157 8.387 8.230 -0.000 0.000 0.439 155 D N -0.427 120.094 120.400 0.202 0.000 2.117 155 D HA -0.234 4.408 4.640 0.003 0.000 0.197 155 D C 1.771 178.201 176.300 0.216 0.000 0.987 155 D CA 1.144 55.270 54.000 0.209 0.000 0.829 155 D CB -0.229 40.718 40.800 0.243 0.000 0.961 155 D HN 0.417 8.787 8.370 -0.000 0.000 0.460 156 W N 1.674 123.044 121.300 0.116 0.000 2.363 156 W HA -0.205 4.456 4.660 0.003 0.000 0.296 156 W C 2.044 178.599 176.519 0.059 0.000 1.212 156 W CA 1.157 58.576 57.345 0.124 0.000 1.260 156 W CB -0.254 29.323 29.460 0.194 0.000 1.131 156 W HN -0.250 7.930 8.180 -0.000 0.000 0.530 157 V N -0.033 119.973 119.914 0.154 0.000 2.261 157 V HA -0.337 3.785 4.120 0.003 0.000 0.246 157 V C 2.499 178.439 176.094 -0.257 0.000 1.047 157 V CA 2.234 64.469 62.300 -0.108 0.000 1.015 157 V CB -1.429 30.399 31.823 0.007 0.000 0.642 157 V HN 0.299 8.489 8.190 -0.000 0.000 0.446 158 S N 0.203 115.843 115.700 -0.100 0.000 2.353 158 S HA -0.226 4.245 4.470 0.003 0.000 0.222 158 S C 1.944 176.524 174.600 -0.032 0.000 1.035 158 S CA 1.960 60.128 58.200 -0.053 0.000 1.025 158 S CB -0.494 62.769 63.200 0.106 0.000 0.902 158 S HN 0.667 8.977 8.310 -0.000 0.000 0.440 159 N N 0.716 119.398 118.700 -0.031 0.000 2.104 159 N HA -0.073 4.668 4.740 0.003 0.000 0.190 159 N C 1.808 177.222 175.510 -0.160 0.000 1.024 159 N CA 1.791 54.822 53.050 -0.032 0.000 0.853 159 N CB -1.169 37.306 38.487 -0.021 0.000 1.008 159 N HN 0.444 8.824 8.380 -0.000 0.000 0.424 160 T N 0.219 114.530 114.554 -0.406 0.000 2.746 160 T HA -0.061 4.291 4.350 0.003 0.000 0.267 160 T C 1.966 176.472 174.700 -0.323 0.000 1.039 160 T CA 1.420 63.235 62.100 -0.475 0.000 1.142 160 T CB -0.666 67.591 68.868 -1.018 0.000 0.866 160 T HN 0.392 8.632 8.240 -0.000 0.000 0.444 161 G N 0.127 108.629 108.800 -0.498 0.000 2.421 161 G HA2 -0.191 3.771 3.960 0.003 0.000 0.216 161 G HA3 -0.191 3.771 3.960 0.003 0.000 0.216 161 G C 1.144 175.976 174.900 -0.113 0.000 1.171 161 G CA 0.393 45.155 45.100 -0.563 0.000 0.775 161 G HN 0.465 8.755 8.290 -0.000 0.000 0.543 162 Y N 1.550 121.828 120.300 -0.037 0.000 2.574 162 Y HA 0.014 4.565 4.550 0.002 0.000 0.294 162 Y C 3.015 178.903 175.900 -0.020 0.000 1.142 162 Y CA 1.004 59.114 58.100 0.017 0.000 1.314 162 Y CB -0.522 37.928 38.460 -0.017 0.000 0.991 162 Y HN 0.108 8.388 8.280 -0.000 0.000 0.555 163 T N -1.246 113.309 114.554 0.002 0.000 3.007 163 T HA -0.158 4.194 4.350 0.003 0.000 0.270 163 T C 0.296 174.690 174.700 -0.509 0.000 1.107 163 T CA 1.259 63.180 62.100 -0.300 0.000 1.118 163 T CB -0.347 68.210 68.868 -0.518 0.000 0.889 163 T HN 0.368 8.608 8.240 -0.000 0.000 0.506 164 Y N 0.273 120.712 120.300 0.231 0.000 2.706 164 Y HA 0.483 5.035 4.550 0.002 0.000 0.255 164 Y C 1.448 177.573 175.900 0.374 0.000 1.163 164 Y CA -0.428 57.859 58.100 0.312 0.000 1.174 164 Y CB 0.218 38.965 38.460 0.479 0.000 1.200 164 Y HN 0.269 8.549 8.280 -0.000 0.000 0.544 165 G N 1.302 110.333 108.800 0.385 0.000 2.498 165 G HA2 -0.326 3.636 3.960 0.003 0.000 0.245 165 G HA3 -0.326 3.636 3.960 0.003 0.000 0.245 165 G C -0.574 174.589 174.900 0.438 0.000 1.204 165 G CA -0.374 44.954 45.100 0.380 0.000 0.933 165 G HN 0.335 8.625 8.290 -0.000 0.000 0.574 166 N N 0.957 119.908 118.700 0.419 0.000 2.411 166 N HA 0.395 5.137 4.740 0.003 0.000 0.259 166 N C 0.910 176.617 175.510 0.327 0.000 1.103 166 N CA -0.407 52.826 53.050 0.304 0.000 0.954 166 N CB 0.376 39.071 38.487 0.347 0.000 1.085 166 N HN 0.437 8.817 8.380 -0.000 0.000 0.485 167 F N 3.453 123.354 119.950 -0.082 0.000 2.408 167 F HA -0.085 4.444 4.527 0.003 0.000 0.300 167 F C 1.695 177.358 175.800 -0.229 0.000 1.090 167 F CA 1.134 59.050 58.000 -0.141 0.000 1.427 167 F CB -0.235 38.550 39.000 -0.359 0.000 1.070 167 F HN 0.749 9.049 8.300 -0.000 0.000 0.549 168 H N -2.638 116.372 119.070 -0.100 0.000 2.431 168 H HA -0.269 4.288 4.556 0.002 0.000 0.297 168 H C 1.590 176.730 175.328 -0.314 0.000 1.115 168 H CA 1.588 57.520 56.048 -0.193 0.000 1.277 168 H CB -0.288 29.325 29.762 -0.248 0.000 1.372 168 H HN 0.263 8.543 8.280 -0.000 0.000 0.516 169 Y N 0.562 120.883 120.300 0.036 0.000 2.639 169 Y HA -0.095 4.457 4.550 0.003 0.000 0.297 169 Y C 1.229 177.078 175.900 -0.085 0.000 1.151 169 Y CA 0.081 58.251 58.100 0.117 0.000 1.335 169 Y CB -0.163 38.484 38.460 0.312 0.000 0.994 169 Y HN 0.179 8.459 8.280 -0.000 0.000 0.548 170 N N 2.712 120.974 118.700 -0.731 0.000 2.427 170 N HA -0.031 4.710 4.740 0.003 0.000 0.269 170 N C -1.633 173.345 175.510 -0.887 0.000 1.235 170 N CA -1.381 50.645 53.050 -1.707 0.000 0.934 170 N CB 0.931 38.063 38.487 -2.259 0.000 1.121 170 N HN 0.074 8.454 8.380 -0.000 0.000 0.480 171 P HA -0.213 4.207 4.420 -0.000 0.000 0.216 171 P C 0.822 177.891 177.300 -0.384 0.000 1.154 171 P CA 1.571 64.380 63.100 -0.484 0.000 0.865 171 P CB 0.144 31.291 31.700 -0.921 0.000 0.789 172 A N -0.757 121.777 122.820 -0.476 0.000 2.015 172 A HA -0.200 4.122 4.320 0.003 0.000 0.219 172 A C 2.429 179.927 177.584 -0.143 0.000 1.163 172 A CA 1.243 53.153 52.037 -0.212 0.000 0.646 172 A CB -1.810 17.108 19.000 -0.137 0.000 0.806 172 A HN 0.265 8.415 8.150 -0.000 0.000 0.448 173 H N -0.533 118.323 119.070 -0.357 0.000 2.395 173 H HA -0.002 4.556 4.556 0.002 0.000 0.299 173 H C 1.943 177.156 175.328 -0.192 0.000 1.070 173 H CA 1.765 57.666 56.048 -0.244 0.000 1.356 173 H CB -0.077 29.440 29.762 -0.408 0.000 1.401 173 H HN 0.473 8.753 8.280 -0.000 0.000 0.524 174 M N 0.038 119.537 119.600 -0.168 0.000 2.086 174 M HA -0.160 4.321 4.480 0.003 0.000 0.261 174 M C 2.561 178.708 176.300 -0.256 0.000 1.067 174 M CA 1.456 56.637 55.300 -0.198 0.000 1.116 174 M CB -0.171 32.354 32.600 -0.126 0.000 1.348 174 M HN 0.205 8.495 8.290 -0.000 0.000 0.407 175 I N 0.116 120.519 120.570 -0.280 0.000 2.226 175 I HA -0.256 3.916 4.170 0.003 0.000 0.245 175 I C 2.706 178.682 176.117 -0.234 0.000 1.100 175 I CA 1.180 62.245 61.300 -0.393 0.000 1.374 175 I CB -0.613 36.978 38.000 -0.682 0.000 1.057 175 I HN 0.266 8.476 8.210 -0.000 0.000 0.413 176 A N 0.989 123.751 122.820 -0.097 0.000 1.933 176 A HA -0.170 4.151 4.320 0.003 0.000 0.218 176 A C 2.303 179.929 177.584 0.071 0.000 1.175 176 A CA 1.462 53.568 52.037 0.115 0.000 0.628 176 A CB -0.753 18.337 19.000 0.150 0.000 0.814 176 A HN 0.380 8.530 8.150 -0.000 0.000 0.444 177 I N -0.504 119.959 120.570 -0.178 0.000 2.252 177 I HA -0.216 3.956 4.170 0.003 0.000 0.245 177 I C 2.708 178.544 176.117 -0.469 0.000 1.102 177 I CA 1.266 62.329 61.300 -0.395 0.000 1.385 177 I CB -0.254 37.378 38.000 -0.613 0.000 1.064 177 I HN 0.240 8.450 8.210 -0.000 0.000 0.414 178 S N 0.675 116.166 115.700 -0.349 0.000 2.359 178 S HA -0.202 4.269 4.470 0.003 0.000 0.223 178 S C 1.846 176.324 174.600 -0.204 0.000 1.039 178 S CA 1.681 59.703 58.200 -0.296 0.000 1.042 178 S CB -0.420 62.518 63.200 -0.436 0.000 0.915 178 S HN 0.265 8.575 8.310 -0.000 0.000 0.439 179 F N 0.534 120.406 119.950 -0.130 0.000 2.171 179 F HA -0.018 4.510 4.527 0.002 0.000 0.300 179 F C 1.928 177.654 175.800 -0.123 0.000 1.090 179 F CA 0.690 58.613 58.000 -0.127 0.000 1.293 179 F CB -0.757 38.141 39.000 -0.170 0.000 1.013 179 F HN 0.140 8.440 8.300 -0.000 0.000 0.486 180 F N -1.020 118.986 119.950 0.094 0.000 2.134 180 F HA -0.206 4.322 4.527 0.002 0.000 0.299 180 F C 2.273 178.192 175.800 0.199 0.000 1.097 180 F CA 1.198 59.242 58.000 0.074 0.000 1.264 180 F CB -0.953 38.014 39.000 -0.056 0.000 1.001 180 F HN -0.132 8.168 8.300 -0.000 0.000 0.479 181 F N 0.154 120.226 119.950 0.203 0.000 2.113 181 F HA -0.146 4.382 4.527 0.002 0.000 0.297 181 F C 2.638 178.482 175.800 0.073 0.000 1.103 181 F CA 1.514 59.575 58.000 0.102 0.000 1.248 181 F CB -1.851 37.170 39.000 0.036 0.000 0.999 181 F HN -0.135 8.165 8.300 -0.000 0.000 0.475 182 T N -0.272 114.432 114.554 0.249 0.000 2.833 182 T HA -0.234 4.118 4.350 0.003 0.000 0.269 182 T C 1.771 176.559 174.700 0.146 0.000 1.054 182 T CA 1.605 63.792 62.100 0.146 0.000 1.135 182 T CB -0.546 68.364 68.868 0.070 0.000 0.869 182 T HN 0.214 8.454 8.240 -0.000 0.000 0.466 183 N N 1.227 120.027 118.700 0.167 0.000 2.084 183 N HA -0.053 4.688 4.740 0.003 0.000 0.190 183 N C 1.947 177.538 175.510 0.135 0.000 1.030 183 N CA 1.349 54.478 53.050 0.132 0.000 0.849 183 N CB -0.357 38.198 38.487 0.113 0.000 1.012 183 N HN 0.338 8.718 8.380 -0.000 0.000 0.423 184 A N 0.177 123.103 122.820 0.177 0.000 1.969 184 A HA -0.060 4.261 4.320 0.003 0.000 0.218 184 A C 2.062 179.711 177.584 0.109 0.000 1.169 184 A CA 1.147 53.272 52.037 0.146 0.000 0.635 184 A CB -0.796 18.304 19.000 0.167 0.000 0.810 184 A HN 0.432 8.582 8.150 -0.000 0.000 0.445 185 L N -0.136 121.155 121.223 0.112 0.000 2.017 185 L HA -0.017 4.324 4.340 0.003 0.000 0.208 185 L C 2.535 179.467 176.870 0.104 0.000 1.073 185 L CA 2.377 57.274 54.840 0.095 0.000 0.745 185 L CB -1.116 40.999 42.059 0.094 0.000 0.894 185 L HN 0.297 8.527 8.230 -0.000 0.000 0.432 186 A N -0.527 122.351 122.820 0.097 0.000 1.898 186 A HA -0.163 4.158 4.320 0.003 0.000 0.216 186 A C 2.266 179.895 177.584 0.075 0.000 1.181 186 A CA 1.721 53.803 52.037 0.076 0.000 0.620 186 A CB -1.063 17.962 19.000 0.042 0.000 0.819 186 A HN 0.514 8.664 8.150 -0.000 0.000 0.442 187 L N -0.145 121.125 121.223 0.078 0.000 2.042 187 L HA -0.127 4.214 4.340 0.003 0.000 0.210 187 L C 2.621 179.541 176.870 0.083 0.000 1.076 187 L CA 2.252 57.143 54.840 0.086 0.000 0.749 187 L CB -0.632 41.476 42.059 0.082 0.000 0.893 187 L HN 0.345 8.575 8.230 -0.000 0.000 0.432 188 A N -1.069 121.798 122.820 0.078 0.000 1.898 188 A HA -0.112 4.209 4.320 0.003 0.000 0.216 188 A C 2.110 179.742 177.584 0.080 0.000 1.181 188 A CA 1.600 53.676 52.037 0.066 0.000 0.620 188 A CB -0.749 18.289 19.000 0.064 0.000 0.819 188 A HN 0.394 8.544 8.150 -0.000 0.000 0.442 189 L N -0.653 120.642 121.223 0.120 0.000 1.994 189 L HA -0.144 4.197 4.340 0.003 0.000 0.208 189 L C 2.398 179.332 176.870 0.106 0.000 1.071 189 L CA 2.448 57.393 54.840 0.175 0.000 0.745 189 L CB -1.537 40.672 42.059 0.250 0.000 0.892 189 L HN 0.680 8.910 8.230 -0.000 0.000 0.431 190 H N -0.633 118.407 119.070 -0.050 0.000 2.319 190 H HA -0.106 4.451 4.556 0.003 0.000 0.299 190 H C 2.062 177.352 175.328 -0.064 0.000 1.092 190 H CA 1.802 57.785 56.048 -0.108 0.000 1.302 190 H CB -0.509 29.154 29.762 -0.165 0.000 1.373 190 H HN 0.283 8.563 8.280 -0.000 0.000 0.497 191 G N -0.112 108.593 108.800 -0.158 0.000 2.446 191 G HA2 -0.268 3.693 3.960 0.003 0.000 0.217 191 G HA3 -0.268 3.693 3.960 0.003 0.000 0.217 191 G C 1.945 176.750 174.900 -0.159 0.000 1.168 191 G CA 1.269 46.245 45.100 -0.208 0.000 0.771 191 G HN 0.641 8.931 8.290 -0.000 0.000 0.551 192 A N 0.123 122.896 122.820 -0.079 0.000 1.930 192 A HA 0.106 4.428 4.320 0.003 0.000 0.217 192 A C 2.350 179.869 177.584 -0.109 0.000 1.175 192 A CA 1.640 53.636 52.037 -0.067 0.000 0.627 192 A CB -0.404 18.590 19.000 -0.010 0.000 0.815 192 A HN 0.391 8.541 8.150 -0.000 0.000 0.443 193 L N -0.080 121.089 121.223 -0.090 0.000 2.005 193 L HA -0.100 4.242 4.340 0.003 0.000 0.207 193 L C 2.474 179.264 176.870 -0.132 0.000 1.072 193 L CA 1.921 56.695 54.840 -0.110 0.000 0.744 193 L CB -0.668 41.382 42.059 -0.016 0.000 0.895 193 L HN 0.166 8.396 8.230 -0.000 0.000 0.433 194 V N -0.188 119.627 119.914 -0.165 0.000 2.287 194 V HA -0.340 3.781 4.120 0.003 0.000 0.248 194 V C 2.587 178.608 176.094 -0.122 0.000 1.053 194 V CA 2.189 64.401 62.300 -0.146 0.000 1.027 194 V CB -0.641 31.046 31.823 -0.227 0.000 0.646 194 V HN 0.439 8.629 8.190 -0.000 0.000 0.447 195 L N 0.830 121.974 121.223 -0.132 0.000 2.083 195 L HA -0.152 4.189 4.340 0.003 0.000 0.209 195 L C 2.691 179.498 176.870 -0.105 0.000 1.083 195 L CA 1.810 56.588 54.840 -0.103 0.000 0.752 195 L CB -0.773 41.231 42.059 -0.092 0.000 0.899 195 L HN 0.579 8.809 8.230 -0.000 0.000 0.433 196 S N -0.171 115.449 115.700 -0.133 0.000 2.423 196 S HA -0.087 4.385 4.470 0.003 0.000 0.231 196 S C 1.999 176.514 174.600 -0.142 0.000 1.014 196 S CA 0.767 58.874 58.200 -0.155 0.000 0.965 196 S CB -0.148 62.902 63.200 -0.250 0.000 0.785 196 S HN 0.354 8.664 8.310 -0.000 0.000 0.495 197 A N 1.412 124.158 122.820 -0.123 0.000 1.943 197 A HA 0.664 4.986 4.320 0.003 0.000 0.213 197 A C 2.390 179.918 177.584 -0.092 0.000 1.181 197 A CA 0.885 52.860 52.037 -0.103 0.000 0.653 197 A CB -1.095 17.869 19.000 -0.060 0.000 0.833 197 A HN 0.789 8.939 8.150 -0.000 0.000 0.451 198 A N -0.281 122.493 122.820 -0.077 0.000 2.067 198 A HA 0.035 4.357 4.320 0.003 0.000 0.217 198 A C 0.828 178.374 177.584 -0.063 0.000 1.156 198 A CA 0.685 52.684 52.037 -0.063 0.000 0.683 198 A CB -0.159 18.808 19.000 -0.055 0.000 0.808 198 A HN 0.469 8.619 8.150 -0.000 0.000 0.455 199 N N 0.904 119.561 118.700 -0.070 0.000 2.813 199 N HA 0.218 4.960 4.740 0.003 0.000 0.282 199 N C -2.905 172.564 175.510 -0.069 0.000 1.748 199 N CA -0.832 52.181 53.050 -0.062 0.000 0.860 199 N CB 1.221 39.675 38.487 -0.054 0.000 1.204 199 N HN 0.372 8.752 8.380 -0.000 0.000 0.490 200 P HA 0.058 4.478 4.420 -0.000 0.000 0.282 200 P C -0.073 177.194 177.300 -0.056 0.000 1.286 200 P CA -0.133 62.920 63.100 -0.078 0.000 0.777 200 P CB 1.103 32.745 31.700 -0.097 0.000 1.184 201 E N -0.175 119.997 120.200 -0.047 0.000 2.452 201 E HA -0.036 4.316 4.350 0.003 0.000 0.261 201 E C 0.479 177.061 176.600 -0.029 0.000 0.987 201 E CA 0.074 56.455 56.400 -0.032 0.000 0.926 201 E CB 0.184 29.870 29.700 -0.022 0.000 0.934 201 E HN 0.278 8.638 8.360 -0.000 0.000 0.452 202 K N 1.153 121.539 120.400 -0.024 0.000 2.511 202 K HA -0.151 4.171 4.320 0.003 0.000 0.277 202 K C 0.925 177.514 176.600 -0.019 0.000 1.025 202 K CA 1.199 57.473 56.287 -0.020 0.000 1.112 202 K CB -0.102 32.389 32.500 -0.016 0.000 0.859 202 K HN 0.785 9.035 8.250 -0.000 0.000 0.485 203 G N 3.175 111.964 108.800 -0.019 0.000 2.268 203 G HA2 -0.270 3.692 3.960 0.003 0.000 0.240 203 G HA3 -0.270 3.692 3.960 0.003 0.000 0.240 203 G C -0.099 174.789 174.900 -0.020 0.000 1.010 203 G CA 0.241 45.331 45.100 -0.017 0.000 0.618 203 G HN 0.595 8.885 8.290 -0.000 0.000 0.516 204 K N 1.037 121.421 120.400 -0.027 0.000 2.107 204 K HA 0.475 4.796 4.320 0.003 0.000 0.251 204 K C 0.292 176.866 176.600 -0.042 0.000 1.012 204 K CA -0.474 55.793 56.287 -0.034 0.000 0.920 204 K CB 0.832 33.307 32.500 -0.042 0.000 1.033 204 K HN 0.396 8.646 8.250 -0.000 0.000 0.478 205 E N 1.364 121.536 120.200 -0.046 0.000 2.383 205 E HA 0.012 4.364 4.350 0.003 0.000 0.264 205 E C -0.166 176.387 176.600 -0.078 0.000 1.050 205 E CA -0.212 56.159 56.400 -0.048 0.000 0.896 205 E CB 0.754 30.433 29.700 -0.035 0.000 0.982 205 E HN 0.344 8.704 8.360 -0.000 0.000 0.424 206 M N 2.859 122.420 119.600 -0.065 0.000 2.290 206 M HA -0.050 4.432 4.480 0.003 0.000 0.356 206 M C 0.004 176.235 176.300 -0.115 0.000 1.448 206 M CA 0.318 55.572 55.300 -0.078 0.000 0.993 206 M CB 0.260 32.831 32.600 -0.049 0.000 1.934 206 M HN 0.292 8.582 8.290 -0.000 0.000 0.461 207 R N 2.300 122.694 120.500 -0.177 0.000 2.726 207 R HA 0.368 4.710 4.340 0.003 0.000 0.272 207 R C 0.125 176.387 176.300 -0.062 0.000 1.097 207 R CA 0.045 55.961 56.100 -0.306 0.000 1.198 207 R CB 0.584 30.661 30.300 -0.371 0.000 1.114 207 R HN 0.792 9.062 8.270 -0.000 0.000 0.550 208 T N -2.379 112.276 114.554 0.169 0.000 2.938 208 T HA 0.441 4.792 4.350 0.003 0.000 0.285 208 T C -1.933 172.876 174.700 0.183 0.000 1.028 208 T CA -1.940 60.279 62.100 0.199 0.000 1.005 208 T CB 1.700 70.701 68.868 0.222 0.000 1.157 208 T HN 0.238 8.478 8.240 -0.000 0.000 0.550 209 P HA -0.017 4.403 4.420 -0.000 0.000 0.218 209 P C 0.623 177.962 177.300 0.066 0.000 1.148 209 P CA 0.984 64.126 63.100 0.069 0.000 0.822 209 P CB -0.108 31.615 31.700 0.038 0.000 0.784 210 D N -2.131 118.294 120.400 0.042 0.000 2.178 210 D HA -0.175 4.466 4.640 0.003 0.000 0.201 210 D C 1.844 178.110 176.300 -0.056 0.000 0.980 210 D CA 1.085 55.062 54.000 -0.037 0.000 0.842 210 D CB -0.742 39.993 40.800 -0.108 0.000 0.948 210 D HN 0.373 8.743 8.370 -0.000 0.000 0.472 211 H N 0.529 119.626 119.070 0.046 0.000 2.395 211 H HA 0.021 4.578 4.556 0.003 0.000 0.299 211 H C 1.840 177.238 175.328 0.117 0.000 1.070 211 H CA 0.934 57.025 56.048 0.071 0.000 1.356 211 H CB 0.217 30.006 29.762 0.046 0.000 1.401 211 H HN 0.352 8.632 8.280 -0.000 0.000 0.524 212 E N 0.697 121.022 120.200 0.208 0.000 2.051 212 E HA -0.149 4.203 4.350 0.003 0.000 0.192 212 E C 1.794 178.525 176.600 0.218 0.000 0.991 212 E CA 1.068 57.578 56.400 0.182 0.000 0.799 212 E CB 0.095 29.852 29.700 0.095 0.000 0.748 212 E HN 0.435 8.795 8.360 -0.000 0.000 0.449 213 D N 0.256 120.727 120.400 0.118 0.000 2.104 213 D HA -0.124 4.517 4.640 0.003 0.000 0.194 213 D C 2.047 178.414 176.300 0.112 0.000 0.994 213 D CA 1.465 55.511 54.000 0.076 0.000 0.830 213 D CB -0.498 40.306 40.800 0.007 0.000 0.959 213 D HN 0.129 8.499 8.370 -0.000 0.000 0.452 214 T N 0.822 115.437 114.554 0.103 0.000 2.746 214 T HA -0.151 4.200 4.350 0.003 0.000 0.267 214 T C 1.716 176.492 174.700 0.126 0.000 1.039 214 T CA 0.668 62.816 62.100 0.081 0.000 1.142 214 T CB -0.484 68.409 68.868 0.042 0.000 0.866 214 T HN 0.123 8.363 8.240 -0.000 0.000 0.444 215 F N 1.108 121.115 119.950 0.094 0.000 2.069 215 F HA -0.090 4.439 4.527 0.003 0.000 0.298 215 F C 1.827 177.681 175.800 0.091 0.000 1.113 215 F CA 1.224 59.284 58.000 0.100 0.000 1.214 215 F CB -0.523 38.565 39.000 0.146 0.000 0.978 215 F HN 0.080 8.380 8.300 -0.000 0.000 0.474 216 F N 0.390 120.358 119.950 0.030 0.000 2.325 216 F HA -0.027 4.501 4.527 0.002 0.000 0.299 216 F C 2.522 178.254 175.800 -0.113 0.000 1.090 216 F CA 1.172 59.125 58.000 -0.078 0.000 1.392 216 F CB -0.439 38.601 39.000 0.066 0.000 1.053 216 F HN -0.152 8.148 8.300 -0.000 0.000 0.521 217 R N 0.454 120.994 120.500 0.067 0.000 2.075 217 R HA -0.123 4.219 4.340 0.003 0.000 0.232 217 R C 1.938 178.204 176.300 -0.057 0.000 1.126 217 R CA 1.673 57.783 56.100 0.017 0.000 0.963 217 R CB -0.493 29.818 30.300 0.018 0.000 0.858 217 R HN 0.086 8.356 8.270 -0.000 0.000 0.435 218 D N -0.119 120.213 120.400 -0.114 0.000 2.117 218 D HA -0.150 4.491 4.640 0.003 0.000 0.198 218 D C 1.769 177.930 176.300 -0.232 0.000 0.982 218 D CA 0.891 54.800 54.000 -0.151 0.000 0.828 218 D CB -0.187 40.519 40.800 -0.157 0.000 0.967 218 D HN 0.097 8.467 8.370 -0.000 0.000 0.464 219 L N 0.027 121.006 121.223 -0.407 0.000 1.994 219 L HA -0.079 4.263 4.340 0.003 0.000 0.208 219 L C 1.801 178.485 176.870 -0.311 0.000 1.071 219 L CA 1.506 56.061 54.840 -0.476 0.000 0.745 219 L CB -0.012 41.537 42.059 -0.850 0.000 0.892 219 L HN -0.047 8.183 8.230 -0.000 0.000 0.431 220 V N -0.983 118.784 119.914 -0.245 0.000 3.337 220 V HA 0.429 4.551 4.120 0.003 0.000 0.307 220 V C 1.035 177.135 176.094 0.010 0.000 1.505 220 V CA 0.521 62.758 62.300 -0.105 0.000 1.072 220 V CB 0.135 31.908 31.823 -0.083 0.000 0.929 220 V HN 0.699 8.889 8.190 -0.000 0.000 0.455 221 G N 0.669 109.478 108.800 0.015 0.000 2.147 221 G HA2 -0.297 3.665 3.960 0.003 0.000 0.244 221 G HA3 -0.297 3.665 3.960 0.003 0.000 0.244 221 G C -0.287 174.730 174.900 0.195 0.000 1.005 221 G CA 0.768 45.911 45.100 0.071 0.000 0.713 221 G HN 1.140 9.430 8.290 -0.000 0.000 0.515 222 Y N -0.647 119.689 120.300 0.060 0.000 2.662 222 Y HA 0.613 5.165 4.550 0.003 0.000 0.334 222 Y C -1.054 174.940 175.900 0.156 0.000 1.185 222 Y CA -0.697 57.456 58.100 0.087 0.000 1.074 222 Y CB 1.423 39.928 38.460 0.076 0.000 1.330 222 Y HN 0.695 8.975 8.280 -0.000 0.000 0.458 223 S N 5.233 120.315 115.700 -1.030 0.000 2.668 223 S HA 0.400 4.872 4.470 0.003 0.000 0.277 223 S C -0.042 173.917 174.600 -1.068 0.000 1.170 223 S CA -0.588 57.198 58.200 -0.691 0.000 0.994 223 S CB 0.897 63.926 63.200 -0.285 0.000 1.051 223 S HN 0.850 9.160 8.310 -0.000 0.000 0.484 224 I N 4.192 124.382 120.570 -0.634 0.000 2.761 224 I HA 0.277 4.448 4.170 0.003 0.000 0.261 224 I C 0.949 176.961 176.117 -0.174 0.000 1.198 224 I CA 1.522 62.658 61.300 -0.274 0.000 1.482 224 I CB -0.222 37.776 38.000 -0.003 0.000 1.100 224 I HN 1.016 9.226 8.210 -0.000 0.000 0.445 225 G N -0.220 108.465 108.800 -0.193 0.000 2.662 225 G HA2 -0.264 3.698 3.960 0.003 0.000 0.686 225 G HA3 -0.264 3.698 3.960 0.003 0.000 0.686 225 G C 0.459 175.315 174.900 -0.073 0.000 1.271 225 G CA -0.068 44.967 45.100 -0.108 0.000 0.816 225 G HN 0.290 8.580 8.290 -0.000 0.000 0.608 226 T N -1.210 113.331 114.554 -0.022 0.000 2.746 226 T HA -0.077 4.274 4.350 0.003 0.000 0.267 226 T C 2.481 177.243 174.700 0.103 0.000 1.039 226 T CA 2.366 64.492 62.100 0.044 0.000 1.142 226 T CB -0.137 68.769 68.868 0.065 0.000 0.866 226 T HN 1.431 9.671 8.240 -0.000 0.000 0.444 227 L N 2.024 123.269 121.223 0.037 0.000 2.044 227 L HA 0.340 4.681 4.340 0.003 0.000 0.205 227 L C 2.738 179.624 176.870 0.027 0.000 1.075 227 L CA 2.068 56.925 54.840 0.029 0.000 0.747 227 L CB -1.300 40.752 42.059 -0.012 0.000 0.903 227 L HN 0.374 8.604 8.230 -0.000 0.000 0.435 228 G N -0.213 108.583 108.800 -0.008 0.000 2.440 228 G HA2 -0.317 3.645 3.960 0.003 0.000 0.218 228 G HA3 -0.317 3.645 3.960 0.003 0.000 0.218 228 G C 1.619 176.475 174.900 -0.073 0.000 1.154 228 G CA 0.992 46.078 45.100 -0.022 0.000 0.767 228 G HN 0.435 8.725 8.290 -0.000 0.000 0.552 229 I N 0.694 121.170 120.570 -0.156 0.000 2.264 229 I HA -0.172 4.000 4.170 0.003 0.000 0.248 229 I C 2.417 178.282 176.117 -0.420 0.000 1.111 229 I CA 1.488 62.590 61.300 -0.330 0.000 1.382 229 I CB -0.451 37.232 38.000 -0.528 0.000 1.060 229 I HN 0.299 8.509 8.210 -0.000 0.000 0.418 230 H N -0.683 118.238 119.070 -0.249 0.000 2.395 230 H HA 0.004 4.562 4.556 0.002 0.000 0.299 230 H C 2.368 177.619 175.328 -0.128 0.000 1.070 230 H CA 1.439 57.366 56.048 -0.201 0.000 1.356 230 H CB -0.137 29.523 29.762 -0.171 0.000 1.401 230 H HN 0.195 8.475 8.280 -0.000 0.000 0.524 231 R N 0.064 120.563 120.500 -0.002 0.000 2.081 231 R HA -0.102 4.239 4.340 0.003 0.000 0.235 231 R C 1.996 178.277 176.300 -0.032 0.000 1.131 231 R CA 0.864 56.955 56.100 -0.015 0.000 0.960 231 R CB -0.337 29.957 30.300 -0.011 0.000 0.856 231 R HN 0.214 8.484 8.270 -0.000 0.000 0.436 232 L N -0.169 121.024 121.223 -0.051 0.000 2.017 232 L HA -0.017 4.324 4.340 0.003 0.000 0.208 232 L C 2.093 178.935 176.870 -0.046 0.000 1.073 232 L CA 2.383 57.199 54.840 -0.040 0.000 0.745 232 L CB -1.127 40.905 42.059 -0.046 0.000 0.894 232 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 233 G N -0.450 108.298 108.800 -0.085 0.000 2.440 233 G HA2 -0.308 3.654 3.960 0.003 0.000 0.218 233 G HA3 -0.308 3.654 3.960 0.003 0.000 0.218 233 G C 1.589 176.461 174.900 -0.047 0.000 1.154 233 G CA 1.058 46.119 45.100 -0.064 0.000 0.767 233 G HN 0.421 8.711 8.290 -0.000 0.000 0.552 234 L N 0.365 121.561 121.223 -0.044 0.000 2.046 234 L HA 0.094 4.435 4.340 0.003 0.000 0.208 234 L C 2.433 179.237 176.870 -0.111 0.000 1.077 234 L CA 1.307 56.117 54.840 -0.050 0.000 0.747 234 L CB -0.450 41.603 42.059 -0.011 0.000 0.896 234 L HN 0.184 8.414 8.230 -0.000 0.000 0.432 235 L N -0.865 120.302 121.223 -0.094 0.000 2.046 235 L HA -0.206 4.136 4.340 0.003 0.000 0.208 235 L C 2.439 179.197 176.870 -0.188 0.000 1.077 235 L CA 1.965 56.724 54.840 -0.135 0.000 0.747 235 L CB -0.572 41.446 42.059 -0.067 0.000 0.896 235 L HN 0.380 8.610 8.230 -0.000 0.000 0.432 236 L N -0.722 120.447 121.223 -0.089 0.000 2.027 236 L HA -0.193 4.148 4.340 0.003 0.000 0.206 236 L C 2.636 179.400 176.870 -0.177 0.000 1.074 236 L CA 1.229 56.046 54.840 -0.038 0.000 0.745 236 L CB -0.678 41.442 42.059 0.101 0.000 0.898 236 L HN 0.204 8.434 8.230 -0.000 0.000 0.433 237 S N 0.160 115.766 115.700 -0.156 0.000 2.353 237 S HA -0.168 4.304 4.470 0.003 0.000 0.222 237 S C 1.894 176.329 174.600 -0.275 0.000 1.035 237 S CA 1.311 59.399 58.200 -0.187 0.000 1.025 237 S CB -0.314 62.830 63.200 -0.094 0.000 0.902 237 S HN 0.147 8.457 8.310 -0.000 0.000 0.440 238 L N 1.642 122.662 121.223 -0.339 0.000 2.083 238 L HA -0.017 4.325 4.340 0.003 0.000 0.209 238 L C 2.468 179.113 176.870 -0.376 0.000 1.083 238 L CA 1.473 56.004 54.840 -0.515 0.000 0.752 238 L CB -1.190 40.316 42.059 -0.922 0.000 0.899 238 L HN 0.195 8.425 8.230 -0.000 0.000 0.433 239 S N -0.691 114.729 115.700 -0.467 0.000 2.402 239 S HA -0.122 4.350 4.470 0.003 0.000 0.229 239 S C 2.171 176.557 174.600 -0.356 0.000 1.021 239 S CA 0.926 58.789 58.200 -0.560 0.000 0.974 239 S CB -0.343 62.072 63.200 -1.308 0.000 0.800 239 S HN 0.504 8.814 8.310 -0.000 0.000 0.484 240 A N 1.183 123.743 122.820 -0.434 0.000 1.877 240 A HA -0.055 4.266 4.320 0.003 0.000 0.216 240 A C 2.319 179.773 177.584 -0.217 0.000 1.186 240 A CA 1.584 53.355 52.037 -0.444 0.000 0.620 240 A CB -0.866 17.432 19.000 -1.171 0.000 0.822 240 A HN 0.352 8.502 8.150 -0.000 0.000 0.443 241 V N -1.235 118.604 119.914 -0.124 0.000 2.453 241 V HA -0.181 3.940 4.120 0.003 0.000 0.247 241 V C 2.252 178.440 176.094 0.157 0.000 1.048 241 V CA 1.813 64.178 62.300 0.107 0.000 1.049 241 V CB -0.946 30.975 31.823 0.163 0.000 0.672 241 V HN 0.638 8.828 8.190 -0.000 0.000 0.457 242 F N 0.665 120.626 119.950 0.019 0.000 2.095 242 F HA -0.217 4.311 4.527 0.002 0.000 0.298 242 F C 1.950 177.651 175.800 -0.164 0.000 1.104 242 F CA 1.834 59.798 58.000 -0.060 0.000 1.232 242 F CB -0.391 38.508 39.000 -0.168 0.000 0.987 242 F HN 0.160 8.460 8.300 -0.000 0.000 0.475 243 F N 0.184 120.142 119.950 0.014 0.000 2.502 243 F HA -0.067 4.462 4.527 0.002 0.000 0.298 243 F C 2.537 178.303 175.800 -0.056 0.000 1.111 243 F CA 1.132 59.095 58.000 -0.061 0.000 1.445 243 F CB -0.869 38.203 39.000 0.119 0.000 1.081 243 F HN -0.072 8.228 8.300 -0.000 0.000 0.558 244 S N -0.064 115.735 115.700 0.165 0.000 2.357 244 S HA -0.128 4.343 4.470 0.003 0.000 0.221 244 S C 2.443 177.108 174.600 0.108 0.000 1.031 244 S CA 1.001 59.314 58.200 0.188 0.000 0.982 244 S CB -0.666 62.691 63.200 0.262 0.000 0.853 244 S HN 0.348 8.658 8.310 -0.000 0.000 0.458 245 A N 1.487 124.317 122.820 0.017 0.000 1.908 245 A HA -0.082 4.239 4.320 0.003 0.000 0.218 245 A C 2.142 179.675 177.584 -0.084 0.000 1.181 245 A CA 1.509 53.536 52.037 -0.017 0.000 0.627 245 A CB -0.789 18.165 19.000 -0.078 0.000 0.818 245 A HN 0.416 8.566 8.150 -0.000 0.000 0.445 246 L N 0.519 121.593 121.223 -0.250 0.000 2.046 246 L HA -0.191 4.151 4.340 0.003 0.000 0.208 246 L C 2.688 179.513 176.870 -0.075 0.000 1.077 246 L CA 2.440 57.137 54.840 -0.238 0.000 0.747 246 L CB -0.783 41.031 42.059 -0.407 0.000 0.896 246 L HN 0.668 8.898 8.230 -0.000 0.000 0.432 247 C N -1.191 118.103 119.300 -0.011 0.000 2.432 247 C HA -0.073 4.389 4.460 0.003 0.000 0.280 247 C C 2.413 177.462 174.990 0.098 0.000 1.353 247 C CA 0.435 59.442 59.018 -0.018 0.000 1.766 247 C CB -0.823 26.928 27.740 0.019 0.000 1.924 247 C HN 0.586 8.816 8.230 -0.000 0.000 0.509 248 M N 0.387 120.080 119.600 0.156 0.000 2.325 248 M HA 0.187 4.668 4.480 0.003 0.000 0.265 248 M C 2.066 178.461 176.300 0.157 0.000 1.094 248 M CA 0.870 56.301 55.300 0.218 0.000 1.161 248 M CB -1.296 31.452 32.600 0.247 0.000 1.358 248 M HN 0.429 8.719 8.290 -0.000 0.000 0.446 249 I N 1.672 122.302 120.570 0.099 0.000 2.530 249 I HA -0.220 3.952 4.170 0.003 0.000 0.257 249 I C 1.933 178.079 176.117 0.049 0.000 1.179 249 I CA 1.183 62.528 61.300 0.074 0.000 1.440 249 I CB -0.185 37.829 38.000 0.022 0.000 1.087 249 I HN 0.324 8.534 8.210 -0.000 0.000 0.440 250 I N -3.792 116.808 120.570 0.049 0.000 3.860 250 I HA 0.169 4.341 4.170 0.003 0.000 0.319 250 I C 0.326 176.476 176.117 0.054 0.000 1.279 250 I CA -0.030 61.293 61.300 0.039 0.000 1.220 250 I CB -0.697 37.330 38.000 0.044 0.000 1.027 250 I HN -0.126 8.084 8.210 -0.000 0.000 0.428 251 T N 2.770 117.385 114.554 0.102 0.000 2.737 251 T HA 0.469 4.820 4.350 0.003 0.000 0.296 251 T C 1.074 175.733 174.700 -0.068 0.000 0.922 251 T CA 0.601 62.713 62.100 0.021 0.000 1.079 251 T CB 0.980 69.929 68.868 0.134 0.000 0.892 251 T HN 0.675 8.915 8.240 -0.000 0.000 0.514 252 G N 2.994 111.706 108.800 -0.147 0.000 2.176 252 G HA2 -0.323 3.639 3.960 0.003 0.000 0.253 252 G HA3 -0.323 3.639 3.960 0.003 0.000 0.253 252 G C 0.899 175.832 174.900 0.055 0.000 0.979 252 G CA 0.855 45.989 45.100 0.057 0.000 0.641 252 G HN 0.900 9.190 8.290 -0.000 0.000 0.530 253 T N -2.086 112.395 114.554 -0.122 0.000 3.058 253 T HA 0.452 4.804 4.350 0.003 0.000 0.247 253 T C 2.172 176.778 174.700 -0.157 0.000 0.987 253 T CA 1.205 63.300 62.100 -0.008 0.000 1.062 253 T CB -0.115 68.755 68.868 0.005 0.000 1.048 253 T HN 1.181 9.421 8.240 -0.000 0.000 0.468 254 I N -4.267 116.056 120.570 -0.412 0.000 4.557 254 I HA 0.536 4.707 4.170 0.003 0.000 0.333 254 I C -0.132 175.596 176.117 -0.649 0.000 1.332 254 I CA -0.909 60.154 61.300 -0.396 0.000 1.240 254 I CB 0.910 38.852 38.000 -0.097 0.000 1.312 254 I HN 0.211 8.421 8.210 -0.000 0.000 0.457 255 W N 1.807 122.454 121.300 -1.089 0.000 2.715 255 W HA 0.407 5.068 4.660 0.002 0.000 0.331 255 W C -1.571 174.307 176.519 -1.068 0.000 1.031 255 W CA -0.581 56.159 57.345 -1.008 0.000 1.237 255 W CB 1.951 30.789 29.460 -1.037 0.000 1.378 255 W HN 0.001 8.181 8.180 -0.000 0.000 0.454 256 F N 1.271 120.638 119.950 -0.972 0.000 2.747 256 F HA 0.141 4.670 4.527 0.002 0.000 0.305 256 F C 1.308 176.833 175.800 -0.458 0.000 1.065 256 F CA -0.086 57.636 58.000 -0.463 0.000 1.230 256 F CB -0.143 38.669 39.000 -0.313 0.000 1.027 256 F HN -0.021 8.279 8.300 -0.000 0.000 0.607 257 D N 0.434 120.367 120.400 -0.779 0.000 2.376 257 D HA 0.086 4.728 4.640 0.003 0.000 0.281 257 D C 0.274 176.624 176.300 0.084 0.000 1.215 257 D CA -0.087 53.710 54.000 -0.337 0.000 1.062 257 D CB 0.078 40.663 40.800 -0.358 0.000 1.124 257 D HN -0.064 8.306 8.370 -0.000 0.000 0.550 258 Q N -0.090 119.864 119.800 0.257 0.000 2.293 258 Q HA 0.013 4.355 4.340 0.003 0.000 0.263 258 Q C 0.832 177.262 176.000 0.716 0.000 1.002 258 Q CA 0.011 56.075 55.803 0.435 0.000 0.910 258 Q CB 0.623 29.534 28.738 0.289 0.000 1.185 258 Q HN 0.534 8.804 8.270 -0.000 0.000 0.401 259 W N 2.170 123.871 121.300 0.669 0.000 2.325 259 W HA -0.235 4.426 4.660 0.003 0.000 0.299 259 W C 2.033 178.757 176.519 0.341 0.000 1.215 259 W CA 0.962 58.505 57.345 0.330 0.000 1.244 259 W CB 0.018 29.534 29.460 0.094 0.000 1.140 259 W HN 0.541 8.721 8.180 -0.000 0.000 0.523 260 V N 0.853 121.058 119.914 0.486 0.000 2.453 260 V HA -0.298 3.823 4.120 0.003 0.000 0.252 260 V C 1.531 177.805 176.094 0.300 0.000 1.068 260 V CA 2.432 64.739 62.300 0.011 0.000 1.070 260 V CB -0.484 31.012 31.823 -0.544 0.000 0.664 260 V HN 0.090 8.280 8.190 -0.000 0.000 0.461 261 D N -1.408 119.241 120.400 0.415 0.000 2.269 261 D HA -0.158 4.484 4.640 0.003 0.000 0.208 261 D C 1.554 178.159 176.300 0.509 0.000 0.963 261 D CA 1.154 55.405 54.000 0.418 0.000 0.864 261 D CB -0.245 40.802 40.800 0.412 0.000 0.936 261 D HN 0.814 9.184 8.370 -0.000 0.000 0.505 262 W N 0.675 122.151 121.300 0.292 0.000 2.342 262 W HA -0.197 4.464 4.660 0.003 0.000 0.297 262 W C 1.249 177.857 176.519 0.149 0.000 1.213 262 W CA 0.964 58.317 57.345 0.014 0.000 1.251 262 W CB -0.620 28.475 29.460 -0.608 0.000 1.136 262 W HN -0.049 8.131 8.180 -0.000 0.000 0.526 263 W N 0.859 122.260 121.300 0.168 0.000 2.632 263 W HA -0.130 4.532 4.660 0.002 0.000 0.248 263 W C 2.256 178.611 176.519 -0.274 0.000 1.259 263 W CA 0.781 58.025 57.345 -0.168 0.000 1.288 263 W CB -0.789 28.682 29.460 0.019 0.000 1.136 263 W HN -0.077 8.103 8.180 -0.000 0.000 0.640 264 Q N 0.260 120.103 119.800 0.071 0.000 2.291 264 Q HA -0.188 4.153 4.340 0.003 0.000 0.206 264 Q C 2.123 178.114 176.000 -0.015 0.000 0.976 264 Q CA 1.539 57.371 55.803 0.048 0.000 0.875 264 Q CB -1.076 27.727 28.738 0.108 0.000 0.927 264 Q HN 0.719 8.989 8.270 -0.000 0.000 0.450 265 W N -0.611 120.608 121.300 -0.134 0.000 2.338 265 W HA -0.197 4.465 4.660 0.002 0.000 0.304 265 W C 1.569 178.072 176.519 -0.026 0.000 1.212 265 W CA 0.575 57.830 57.345 -0.150 0.000 1.264 265 W CB -1.348 27.917 29.460 -0.325 0.000 1.142 265 W HN 0.229 8.409 8.180 -0.000 0.000 0.512 266 W N 2.591 123.123 121.300 -1.280 0.000 2.409 266 W HA -0.138 4.524 4.660 0.003 0.000 0.299 266 W C 2.042 178.409 176.519 -0.253 0.000 1.203 266 W CA 2.191 58.892 57.345 -1.073 0.000 1.298 266 W CB -0.718 28.000 29.460 -1.237 0.000 1.127 266 W HN -0.210 7.970 8.180 -0.000 0.000 0.528 267 V N 1.851 121.783 119.914 0.030 0.000 2.626 267 V HA -0.221 3.901 4.120 0.003 0.000 0.252 267 V C 2.093 178.212 176.094 0.042 0.000 1.067 267 V CA 1.659 63.983 62.300 0.041 0.000 1.081 267 V CB -0.759 31.082 31.823 0.030 0.000 0.686 267 V HN -0.061 8.129 8.190 -0.000 0.000 0.468 268 K N -0.122 120.272 120.400 -0.010 0.000 2.444 268 K HA 0.196 4.518 4.320 0.003 0.000 0.193 268 K C 0.285 176.771 176.600 -0.189 0.000 1.024 268 K CA -0.279 55.981 56.287 -0.044 0.000 1.077 268 K CB -0.292 32.199 32.500 -0.015 0.000 0.833 268 K HN 0.253 8.503 8.250 -0.000 0.000 0.517 269 L N 2.261 123.267 121.223 -0.362 0.000 2.601 269 L HA -0.033 4.309 4.340 0.003 0.000 0.277 269 L C -1.308 174.900 176.870 -1.103 0.000 1.219 269 L CA -0.943 53.308 54.840 -0.981 0.000 0.915 269 L CB -0.071 40.939 42.059 -1.749 0.000 1.160 269 L HN -0.023 8.207 8.230 -0.000 0.000 0.494 270 P HA -0.255 4.165 4.420 -0.000 0.000 0.219 270 P C 1.061 178.160 177.300 -0.334 0.000 1.161 270 P CA 2.194 65.035 63.100 -0.431 0.000 0.909 270 P CB -0.193 31.385 31.700 -0.204 0.000 0.793 271 W N -1.729 119.371 121.300 -0.334 0.000 2.848 271 W HA 0.032 4.694 4.660 0.002 0.000 0.241 271 W C 0.553 177.017 176.519 -0.092 0.000 1.289 271 W CA 0.153 57.339 57.345 -0.266 0.000 1.396 271 W CB -1.489 27.753 29.460 -0.363 0.000 1.138 271 W HN 0.230 8.410 8.180 -0.000 0.000 0.677 272 W N -2.414 118.756 121.300 -0.215 0.000 1.262 272 W HA 0.606 5.268 4.660 0.003 0.000 0.190 272 W C 1.268 177.688 176.519 -0.166 0.000 0.745 272 W CA -1.199 56.073 57.345 -0.122 0.000 0.841 272 W CB -1.133 28.283 29.460 -0.073 0.000 0.861 272 W HN -0.111 8.069 8.180 -0.000 0.000 0.455 273 A N 1.575 124.503 122.820 0.180 0.000 2.070 273 A HA -0.135 4.186 4.320 0.003 0.000 0.220 273 A C 1.504 179.117 177.584 0.048 0.000 1.159 273 A CA 2.030 54.123 52.037 0.094 0.000 0.656 273 A CB -0.687 18.299 19.000 -0.023 0.000 0.800 273 A HN 0.517 8.667 8.150 -0.000 0.000 0.453 274 N N -1.320 117.409 118.700 0.049 0.000 2.171 274 N HA 0.289 5.031 4.740 0.003 0.000 0.212 274 N C -0.508 175.025 175.510 0.039 0.000 1.184 274 N CA -0.325 52.745 53.050 0.033 0.000 0.888 274 N CB 0.559 39.059 38.487 0.022 0.000 1.038 274 N HN 0.350 8.730 8.380 -0.000 0.000 0.517 275 I N 3.806 124.413 120.570 0.062 0.000 2.742 275 I HA 0.027 4.198 4.170 0.003 0.000 0.287 275 I C -1.716 174.418 176.117 0.029 0.000 1.186 275 I CA -1.211 60.123 61.300 0.057 0.000 1.417 275 I CB 0.044 38.097 38.000 0.089 0.000 1.377 275 I HN -0.076 8.134 8.210 -0.000 0.000 0.556 276 P HA 0.307 4.727 4.420 -0.000 0.000 0.271 276 P C 0.041 177.343 177.300 0.004 0.000 1.218 276 P CA 0.271 63.378 63.100 0.010 0.000 0.780 276 P CB 1.232 32.939 31.700 0.012 0.000 0.901 277 G N -0.042 108.755 108.800 -0.004 0.000 2.497 277 G HA2 0.438 4.400 3.960 0.003 0.000 0.686 277 G HA3 0.438 4.400 3.960 0.003 0.000 0.686 277 G C -0.155 174.732 174.900 -0.023 0.000 1.288 277 G CA 0.223 45.317 45.100 -0.010 0.000 0.899 277 G HN 1.027 9.317 8.290 -0.000 0.000 0.608 278 G N -0.999 107.785 108.800 -0.025 0.000 2.698 278 G HA2 0.078 4.039 3.960 0.003 0.000 0.233 278 G HA3 0.078 4.039 3.960 0.003 0.000 0.233 278 G C 1.025 175.904 174.900 -0.035 0.000 1.352 278 G CA 0.318 45.396 45.100 -0.037 0.000 0.879 278 G HN 1.585 9.875 8.290 -0.000 0.000 0.567 279 I N 0.740 121.284 120.570 -0.043 0.000 2.202 279 I HA -0.060 4.112 4.170 0.003 0.000 0.242 279 I C 2.012 178.110 176.117 -0.032 0.000 1.091 279 I CA 1.737 63.016 61.300 -0.035 0.000 1.368 279 I CB -0.962 37.014 38.000 -0.041 0.000 1.058 279 I HN 0.508 8.718 8.210 -0.000 0.000 0.410 280 N N 1.069 119.743 118.700 -0.043 0.000 2.295 280 N HA 0.182 4.923 4.740 0.003 0.000 0.221 280 N C 0.571 176.063 175.510 -0.029 0.000 1.129 280 N CA 0.134 53.164 53.050 -0.034 0.000 0.836 280 N CB 1.115 39.577 38.487 -0.042 0.000 1.040 280 N HN 0.295 8.675 8.380 -0.000 0.000 0.494 281 G N 0.000 108.784 108.800 -0.026 0.000 5.446 281 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 281 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 281 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 281 G HN 0.000 8.290 8.290 -0.000 0.000 0.925