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 1njf_1_C DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGT 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 5 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 5 V C 0.000 176.150 176.094 0.093 0.000 1.182 5 V CA 0.000 62.331 62.300 0.052 0.000 1.235 5 V CB 0.000 31.846 31.823 0.039 0.000 1.184 6 L N 2.268 123.566 121.223 0.125 0.000 2.010 6 L HA -0.223 4.117 4.340 -0.001 0.000 0.219 6 L C 2.970 179.988 176.870 0.246 0.000 1.077 6 L CA 2.937 57.918 54.840 0.234 0.000 0.773 6 L CB -0.664 41.461 42.059 0.110 0.000 0.892 6 L HN 1.094 9.324 8.230 -0.000 0.000 0.436 7 A N -0.652 122.246 122.820 0.130 0.000 1.948 7 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 7 A C 2.401 180.044 177.584 0.099 0.000 1.177 7 A CA 1.952 54.053 52.037 0.106 0.000 0.636 7 A CB -0.472 18.564 19.000 0.060 0.000 0.815 7 A HN 0.271 8.421 8.150 -0.000 0.000 0.449 8 R N -0.157 120.385 120.500 0.070 0.000 2.080 8 R HA 0.034 4.373 4.340 -0.001 0.000 0.222 8 R C 2.063 178.354 176.300 -0.014 0.000 1.107 8 R CA 1.686 57.800 56.100 0.023 0.000 0.980 8 R CB -0.640 29.663 30.300 0.006 0.000 0.879 8 R HN 0.629 8.899 8.270 -0.000 0.000 0.439 9 K N -1.183 119.208 120.400 -0.016 0.000 2.209 9 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 9 K C 0.525 176.863 176.600 -0.436 0.000 1.048 9 K CA 1.257 57.428 56.287 -0.193 0.000 0.940 9 K CB -0.036 32.370 32.500 -0.156 0.000 0.729 9 K HN 0.112 8.362 8.250 -0.000 0.000 0.451 10 W N 1.563 122.847 121.300 -0.026 0.000 3.067 10 W HA 0.275 4.934 4.660 -0.001 0.000 0.417 10 W C -0.116 176.394 176.519 -0.015 0.000 1.029 10 W CA -0.786 56.548 57.345 -0.018 0.000 1.992 10 W CB 0.361 29.813 29.460 -0.013 0.000 1.122 10 W HN -0.130 8.050 8.180 -0.000 0.000 0.681 11 R N 1.996 122.529 120.500 0.056 0.000 2.442 11 R HA 0.132 4.471 4.340 -0.001 0.000 0.291 11 R C -2.171 174.127 176.300 -0.005 0.000 1.069 11 R CA -1.504 54.613 56.100 0.027 0.000 1.022 11 R CB 0.362 30.652 30.300 -0.017 0.000 0.976 11 R HN -0.209 8.061 8.270 -0.000 0.000 0.443 12 P HA -0.077 4.343 4.420 -0.000 0.000 0.261 12 P C -0.381 176.870 177.300 -0.082 0.000 1.173 12 P CA 0.282 63.373 63.100 -0.016 0.000 0.760 12 P CB 0.720 32.415 31.700 -0.009 0.000 0.783 13 Q N 0.630 120.373 119.800 -0.095 0.000 2.396 13 Q HA 0.083 4.423 4.340 -0.001 0.000 0.209 13 Q C 0.853 176.747 176.000 -0.177 0.000 0.906 13 Q CA 0.924 56.645 55.803 -0.137 0.000 0.927 13 Q CB 0.250 28.913 28.738 -0.126 0.000 1.069 13 Q HN 0.601 8.871 8.270 -0.000 0.000 0.523 14 T N -4.155 110.307 114.554 -0.154 0.000 2.865 14 T HA 0.449 4.799 4.350 -0.001 0.000 0.294 14 T C 0.365 174.987 174.700 -0.130 0.000 1.119 14 T CA -0.687 61.296 62.100 -0.195 0.000 1.007 14 T CB 0.416 69.228 68.868 -0.093 0.000 1.225 14 T HN -0.211 8.029 8.240 -0.000 0.000 0.515 15 F N 0.936 120.851 119.950 -0.058 0.000 2.186 15 F HA 0.173 4.699 4.527 -0.001 0.000 0.299 15 F C 2.915 178.687 175.800 -0.047 0.000 1.090 15 F CA 1.155 59.117 58.000 -0.064 0.000 1.307 15 F CB -1.138 37.822 39.000 -0.066 0.000 1.019 15 F HN 0.824 9.124 8.300 -0.000 0.000 0.489 16 A N -0.451 122.458 122.820 0.148 0.000 2.070 16 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 16 A C 1.768 179.380 177.584 0.047 0.000 1.159 16 A CA 1.816 53.898 52.037 0.075 0.000 0.656 16 A CB -0.638 18.390 19.000 0.048 0.000 0.800 16 A HN 0.262 8.412 8.150 -0.000 0.000 0.453 17 D N -0.480 119.948 120.400 0.046 0.000 2.355 17 D HA 0.093 4.732 4.640 -0.001 0.000 0.218 17 D C 0.338 176.670 176.300 0.052 0.000 1.004 17 D CA 0.235 54.263 54.000 0.046 0.000 0.880 17 D CB 0.020 40.848 40.800 0.047 0.000 0.911 17 D HN 0.190 8.560 8.370 -0.000 0.000 0.528 18 V N 1.664 121.614 119.914 0.060 0.000 2.614 18 V HA 0.043 4.162 4.120 -0.001 0.000 0.291 18 V C 0.649 176.763 176.094 0.035 0.000 1.049 18 V CA -0.411 61.920 62.300 0.053 0.000 1.038 18 V CB 1.820 33.685 31.823 0.071 0.000 0.980 18 V HN -0.190 8.000 8.190 -0.000 0.000 0.481 19 V N 5.170 125.103 119.914 0.032 0.000 2.465 19 V HA 0.744 4.863 4.120 -0.001 0.000 0.279 19 V C 0.967 177.079 176.094 0.030 0.000 1.045 19 V CA 0.764 63.079 62.300 0.026 0.000 0.938 19 V CB 0.374 32.214 31.823 0.028 0.000 0.986 19 V HN 1.341 9.531 8.190 -0.000 0.000 0.467 20 G N 3.864 112.684 108.800 0.033 0.000 2.601 20 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.252 20 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.252 20 G C -0.017 174.910 174.900 0.045 0.000 1.294 20 G CA 0.017 45.145 45.100 0.047 0.000 0.912 20 G HN 1.101 9.390 8.290 -0.000 0.000 0.574 21 Q N -1.216 118.632 119.800 0.081 0.000 2.453 21 Q HA -0.216 4.123 4.340 -0.001 0.000 0.294 21 Q C 1.297 177.291 176.000 -0.010 0.000 1.295 21 Q CA 1.935 57.770 55.803 0.053 0.000 0.853 21 Q CB -1.907 26.812 28.738 -0.031 0.000 1.193 21 Q HN 0.962 9.232 8.270 -0.000 0.000 0.461 22 E N 0.199 120.450 120.200 0.085 0.000 2.058 22 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 22 E C 1.735 178.357 176.600 0.036 0.000 0.997 22 E CA 1.577 58.004 56.400 0.046 0.000 0.801 22 E CB -0.248 29.496 29.700 0.074 0.000 0.746 22 E HN 0.817 9.177 8.360 -0.000 0.000 0.450 23 H N 0.029 119.105 119.070 0.010 0.000 2.489 23 H HA -0.029 4.526 4.556 -0.001 0.000 0.293 23 H C 1.982 177.333 175.328 0.037 0.000 1.066 23 H CA 1.015 57.086 56.048 0.038 0.000 1.305 23 H CB -0.576 29.233 29.762 0.078 0.000 1.386 23 H HN 0.028 8.308 8.280 -0.000 0.000 0.551 24 V N 1.544 121.102 119.914 -0.593 0.000 2.379 24 V HA -0.149 3.970 4.120 -0.001 0.000 0.243 24 V C 3.049 178.814 176.094 -0.547 0.000 1.035 24 V CA 1.091 63.028 62.300 -0.605 0.000 1.035 24 V CB -0.481 30.993 31.823 -0.581 0.000 0.673 24 V HN 0.238 8.428 8.190 -0.000 0.000 0.457 25 L N -0.182 120.782 121.223 -0.432 0.000 2.083 25 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 25 L C 2.587 179.203 176.870 -0.424 0.000 1.083 25 L CA 1.790 56.305 54.840 -0.541 0.000 0.752 25 L CB -1.198 40.621 42.059 -0.398 0.000 0.899 25 L HN 0.346 8.576 8.230 -0.000 0.000 0.433 26 T N 0.152 114.572 114.554 -0.224 0.000 2.701 26 T HA -0.141 4.208 4.350 -0.001 0.000 0.263 26 T C 2.115 176.767 174.700 -0.082 0.000 1.040 26 T CA 1.346 63.376 62.100 -0.116 0.000 1.147 26 T CB -0.279 68.571 68.868 -0.030 0.000 0.865 26 T HN 0.429 8.669 8.240 -0.000 0.000 0.426 27 A N 1.461 124.257 122.820 -0.039 0.000 1.865 27 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 27 A C 2.361 179.969 177.584 0.040 0.000 1.191 27 A CA 1.401 53.486 52.037 0.081 0.000 0.623 27 A CB -1.081 18.096 19.000 0.294 0.000 0.826 27 A HN 0.453 8.603 8.150 -0.000 0.000 0.444 28 L N -0.899 120.233 121.223 -0.152 0.000 2.013 28 L HA -0.273 4.067 4.340 -0.001 0.000 0.212 28 L C 3.153 179.960 176.870 -0.104 0.000 1.073 28 L CA 1.329 56.074 54.840 -0.157 0.000 0.753 28 L CB -0.609 41.186 42.059 -0.440 0.000 0.890 28 L HN 0.492 8.722 8.230 -0.000 0.000 0.432 29 A N 0.134 122.826 122.820 -0.213 0.000 1.877 29 A HA -0.249 4.070 4.320 -0.001 0.000 0.216 29 A C 1.982 179.571 177.584 0.008 0.000 1.186 29 A CA 2.197 54.177 52.037 -0.094 0.000 0.620 29 A CB -0.885 18.040 19.000 -0.126 0.000 0.822 29 A HN 0.547 8.697 8.150 -0.000 0.000 0.443 30 N N -0.455 118.253 118.700 0.014 0.000 2.069 30 N HA -0.126 4.613 4.740 -0.001 0.000 0.191 30 N C 1.899 177.462 175.510 0.088 0.000 1.031 30 N CA 0.893 53.974 53.050 0.051 0.000 0.852 30 N CB -0.354 38.167 38.487 0.056 0.000 1.018 30 N HN 0.503 8.883 8.380 -0.000 0.000 0.423 31 G N 1.532 110.409 108.800 0.129 0.000 2.446 31 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 31 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 31 G C 1.515 176.513 174.900 0.164 0.000 1.168 31 G CA 0.601 45.819 45.100 0.197 0.000 0.771 31 G HN 0.129 8.419 8.290 -0.000 0.000 0.551 32 L N 0.353 121.664 121.223 0.146 0.000 2.005 32 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 32 L C 3.231 180.166 176.870 0.108 0.000 1.072 32 L CA 1.224 56.147 54.840 0.137 0.000 0.744 32 L CB -0.490 41.654 42.059 0.142 0.000 0.895 32 L HN 0.171 8.401 8.230 -0.000 0.000 0.433 33 S N -0.033 115.721 115.700 0.089 0.000 2.370 33 S HA -0.148 4.321 4.470 -0.001 0.000 0.226 33 S C 1.871 176.509 174.600 0.064 0.000 1.033 33 S CA 1.323 59.566 58.200 0.070 0.000 1.011 33 S CB -0.250 62.984 63.200 0.056 0.000 0.852 33 S HN 0.208 8.518 8.310 -0.000 0.000 0.457 34 L N -0.464 120.798 121.223 0.066 0.000 1.971 34 L HA 0.159 4.498 4.340 -0.001 0.000 0.208 34 L C 1.911 178.814 176.870 0.054 0.000 1.083 34 L CA 1.205 56.078 54.840 0.055 0.000 0.753 34 L CB -0.379 41.712 42.059 0.054 0.000 0.893 34 L HN 0.538 8.768 8.230 -0.000 0.000 0.436 35 G N -1.393 107.442 108.800 0.058 0.000 3.771 35 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.221 35 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.221 35 G C -0.196 174.705 174.900 0.002 0.000 0.897 35 G CA -0.754 44.375 45.100 0.048 0.000 1.034 35 G HN 0.018 8.308 8.290 -0.000 0.000 0.720 36 R N 0.912 121.407 120.500 -0.008 0.000 2.486 36 R HA 0.140 4.480 4.340 -0.001 0.000 0.303 36 R C 0.251 176.367 176.300 -0.307 0.000 0.958 36 R CA 0.231 56.231 56.100 -0.167 0.000 1.077 36 R CB 0.752 31.020 30.300 -0.054 0.000 0.921 36 R HN 0.455 8.725 8.270 -0.000 0.000 0.406 37 I N 4.726 125.056 120.570 -0.400 0.000 2.291 37 I HA 0.128 4.298 4.170 -0.001 0.000 0.290 37 I C -0.574 175.175 176.117 -0.613 0.000 1.050 37 I CA -0.492 60.585 61.300 -0.371 0.000 1.245 37 I CB 0.192 38.045 38.000 -0.245 0.000 1.405 37 I HN 0.530 8.740 8.210 -0.000 0.000 0.478 38 H N 6.881 125.806 119.070 -0.242 0.000 2.466 38 H HA 0.328 4.883 4.556 -0.001 0.000 0.338 38 H C 0.167 175.285 175.328 -0.351 0.000 1.091 38 H CA -0.570 55.250 56.048 -0.380 0.000 1.207 38 H CB 1.572 30.936 29.762 -0.663 0.000 1.466 38 H HN 0.645 8.925 8.280 -0.000 0.000 0.493 39 H N 1.121 120.188 119.070 -0.006 0.000 2.482 39 H HA 0.273 4.828 4.556 -0.001 0.000 0.286 39 H C 0.403 175.825 175.328 0.156 0.000 1.017 39 H CA 0.591 56.687 56.048 0.079 0.000 1.322 39 H CB 0.841 30.662 29.762 0.099 0.000 1.426 39 H HN 0.617 8.897 8.280 -0.000 0.000 0.546 40 A N 0.192 123.079 122.820 0.112 0.000 2.486 40 A HA 0.573 4.893 4.320 -0.001 0.000 0.300 40 A C -1.794 175.701 177.584 -0.148 0.000 1.048 40 A CA -0.556 51.572 52.037 0.151 0.000 0.696 40 A CB 1.377 20.471 19.000 0.156 0.000 1.278 40 A HN 0.084 8.234 8.150 -0.000 0.000 0.405 41 Y N 0.481 120.823 120.300 0.069 0.000 2.425 41 Y HA 0.638 5.188 4.550 -0.001 0.000 0.344 41 Y C -0.506 175.277 175.900 -0.196 0.000 0.969 41 Y CA -0.798 57.233 58.100 -0.114 0.000 1.052 41 Y CB 2.312 40.742 38.460 -0.050 0.000 1.215 41 Y HN 0.620 8.900 8.280 -0.000 0.000 0.451 42 L N 4.340 125.411 121.223 -0.252 0.000 2.343 42 L HA 0.646 4.986 4.340 -0.001 0.000 0.278 42 L C -1.983 174.667 176.870 -0.367 0.000 0.996 42 L CA -0.661 54.059 54.840 -0.199 0.000 0.831 42 L CB 0.307 42.281 42.059 -0.143 0.000 1.232 42 L HN 0.403 8.633 8.230 -0.000 0.000 0.413 43 F N 3.684 123.710 119.950 0.126 0.000 2.388 43 F HA 0.665 5.192 4.527 -0.001 0.000 0.358 43 F C 0.556 176.379 175.800 0.039 0.000 1.122 43 F CA -0.296 57.767 58.000 0.104 0.000 1.056 43 F CB 1.742 40.806 39.000 0.107 0.000 1.155 43 F HN 0.561 8.861 8.300 -0.000 0.000 0.461 44 S N 1.742 117.504 115.700 0.104 0.000 2.599 44 S HA 1.028 5.497 4.470 -0.001 0.000 0.294 44 S C -0.337 174.320 174.600 0.095 0.000 1.094 44 S CA -0.467 57.766 58.200 0.056 0.000 0.931 44 S CB 2.169 65.335 63.200 -0.055 0.000 1.093 44 S HN 1.288 9.598 8.310 -0.000 0.000 0.488 45 G N -0.001 108.852 108.800 0.088 0.000 2.361 45 G HA2 0.346 4.305 3.960 -0.001 0.000 0.305 45 G HA3 0.346 4.305 3.960 -0.001 0.000 0.305 45 G C -0.549 174.396 174.900 0.074 0.000 1.367 45 G CA -0.247 44.913 45.100 0.099 0.000 0.951 45 G HN 1.000 9.290 8.290 -0.000 0.000 0.615 46 T N -0.012 114.582 114.554 0.067 0.000 2.802 46 T HA 0.409 4.758 4.350 -0.001 0.000 0.305 46 T C 1.042 175.775 174.700 0.055 0.000 1.053 46 T CA -0.068 62.063 62.100 0.053 0.000 1.058 46 T CB 0.210 69.105 68.868 0.045 0.000 0.988 46 T HN 0.557 8.797 8.240 -0.000 0.000 0.539 47 R N 1.066 121.596 120.500 0.050 0.000 2.679 47 R HA 0.249 4.589 4.340 -0.001 0.000 0.268 47 R C 1.422 177.747 176.300 0.042 0.000 1.044 47 R CA 1.161 57.290 56.100 0.049 0.000 1.105 47 R CB 0.031 30.359 30.300 0.047 0.000 0.989 47 R HN 1.115 9.385 8.270 -0.000 0.000 0.447 48 G N 1.302 110.125 108.800 0.039 0.000 2.176 48 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.252 48 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.252 48 G C 0.406 175.326 174.900 0.032 0.000 1.024 48 G CA 0.267 45.387 45.100 0.032 0.000 0.755 48 G HN 0.478 8.768 8.290 -0.000 0.000 0.507 49 V N -0.908 119.028 119.914 0.037 0.000 3.661 49 V HA 0.549 4.669 4.120 -0.001 0.000 0.271 49 V C 1.971 178.083 176.094 0.031 0.000 1.315 49 V CA 1.830 64.154 62.300 0.040 0.000 1.072 49 V CB 0.497 32.353 31.823 0.056 0.000 0.830 49 V HN 1.934 10.124 8.190 -0.000 0.000 0.443 50 G N 0.176 108.987 108.800 0.017 0.000 2.164 50 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.154 50 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.154 50 G C 0.746 175.610 174.900 -0.059 0.000 1.014 50 G CA 0.323 45.415 45.100 -0.013 0.000 0.683 50 G HN 0.398 8.688 8.290 -0.000 0.000 0.500 51 K N 0.299 120.684 120.400 -0.026 0.000 1.991 51 K HA -0.120 4.199 4.320 -0.001 0.000 0.212 51 K C 2.844 179.328 176.600 -0.194 0.000 1.049 51 K CA 2.246 58.499 56.287 -0.056 0.000 0.932 51 K CB -0.490 32.059 32.500 0.081 0.000 0.717 51 K HN 0.532 8.782 8.250 -0.000 0.000 0.441 52 T N -0.972 113.528 114.554 -0.090 0.000 2.904 52 T HA -0.041 4.308 4.350 -0.001 0.000 0.267 52 T C 2.191 176.805 174.700 -0.142 0.000 1.059 52 T CA 1.355 63.396 62.100 -0.099 0.000 1.137 52 T CB -0.211 68.644 68.868 -0.023 0.000 0.879 52 T HN -0.022 8.218 8.240 -0.000 0.000 0.467 53 S N 1.637 117.266 115.700 -0.118 0.000 2.353 53 S HA 0.007 4.477 4.470 -0.001 0.000 0.222 53 S C 1.972 176.471 174.600 -0.167 0.000 1.035 53 S CA 1.486 59.620 58.200 -0.111 0.000 1.025 53 S CB -0.520 62.641 63.200 -0.065 0.000 0.902 53 S HN 0.516 8.826 8.310 -0.000 0.000 0.440 54 I N 1.548 121.980 120.570 -0.230 0.000 2.226 54 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 54 I C 2.709 178.581 176.117 -0.410 0.000 1.100 54 I CA 1.062 62.203 61.300 -0.265 0.000 1.374 54 I CB -0.594 37.185 38.000 -0.369 0.000 1.057 54 I HN 0.265 8.475 8.210 -0.000 0.000 0.413 55 A N 0.863 123.295 122.820 -0.648 0.000 1.908 55 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 55 A C 2.449 179.913 177.584 -0.201 0.000 1.181 55 A CA 1.927 53.673 52.037 -0.484 0.000 0.627 55 A CB -0.678 18.135 19.000 -0.311 0.000 0.818 55 A HN 0.362 8.512 8.150 -0.000 0.000 0.445 56 R N -0.482 119.912 120.500 -0.177 0.000 2.075 56 R HA -0.002 4.338 4.340 -0.001 0.000 0.232 56 R C 1.954 178.149 176.300 -0.175 0.000 1.126 56 R CA 1.298 57.319 56.100 -0.131 0.000 0.963 56 R CB -0.351 29.881 30.300 -0.114 0.000 0.858 56 R HN 0.529 8.799 8.270 -0.000 0.000 0.435 57 L N 0.603 121.685 121.223 -0.234 0.000 2.083 57 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 57 L C 2.370 179.045 176.870 -0.325 0.000 1.083 57 L CA 0.517 55.121 54.840 -0.394 0.000 0.752 57 L CB -0.391 41.280 42.059 -0.646 0.000 0.899 57 L HN 0.277 8.507 8.230 -0.000 0.000 0.433 58 L N 0.205 121.349 121.223 -0.130 0.000 2.083 58 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 58 L C 2.601 179.428 176.870 -0.073 0.000 1.083 58 L CA 1.945 56.767 54.840 -0.029 0.000 0.752 58 L CB -0.651 41.365 42.059 -0.072 0.000 0.899 58 L HN 0.129 8.359 8.230 -0.000 0.000 0.433 59 A N -0.787 121.985 122.820 -0.080 0.000 1.933 59 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 59 A C 2.354 179.906 177.584 -0.054 0.000 1.175 59 A CA 1.823 53.840 52.037 -0.033 0.000 0.628 59 A CB -0.452 18.541 19.000 -0.012 0.000 0.814 59 A HN 0.489 8.639 8.150 -0.000 0.000 0.444 60 K N -0.819 119.503 120.400 -0.129 0.000 2.002 60 K HA -0.079 4.240 4.320 -0.001 0.000 0.209 60 K C 2.167 178.700 176.600 -0.112 0.000 1.048 60 K CA 1.138 57.324 56.287 -0.167 0.000 0.930 60 K CB -0.508 31.857 32.500 -0.225 0.000 0.714 60 K HN 0.449 8.699 8.250 -0.000 0.000 0.438 61 G N 1.192 109.931 108.800 -0.101 0.000 2.442 61 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.219 61 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.219 61 G C 1.441 176.376 174.900 0.060 0.000 1.141 61 G CA 0.757 45.846 45.100 -0.019 0.000 0.763 61 G HN 0.115 8.405 8.290 -0.000 0.000 0.554 62 L N -0.512 120.761 121.223 0.084 0.000 2.156 62 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 62 L C 2.014 179.073 176.870 0.315 0.000 1.095 62 L CA 0.924 55.894 54.840 0.217 0.000 0.770 62 L CB -0.114 42.024 42.059 0.132 0.000 0.914 62 L HN 0.216 8.446 8.230 -0.000 0.000 0.439 63 N N -1.633 117.170 118.700 0.172 0.000 2.214 63 N HA 0.072 4.811 4.740 -0.001 0.000 0.214 63 N C 0.114 175.625 175.510 0.002 0.000 1.132 63 N CA -0.431 52.702 53.050 0.137 0.000 0.856 63 N CB 0.616 39.215 38.487 0.186 0.000 1.020 63 N HN 0.186 8.566 8.380 -0.000 0.000 0.509 64 C N 1.647 120.936 119.300 -0.019 0.000 2.633 64 C HA 0.016 4.475 4.460 -0.001 0.000 0.415 64 C C 1.795 176.767 174.990 -0.030 0.000 1.393 64 C CA 0.009 58.992 59.018 -0.058 0.000 1.700 64 C CB -0.350 27.360 27.740 -0.049 0.000 2.541 64 C HN 0.527 8.757 8.230 -0.000 0.000 0.603 65 E N 1.877 122.050 120.200 -0.045 0.000 2.331 65 E HA -0.168 4.181 4.350 -0.001 0.000 0.199 65 E C 1.941 178.531 176.600 -0.018 0.000 1.008 65 E CA 1.689 58.075 56.400 -0.025 0.000 0.843 65 E CB 0.095 29.778 29.700 -0.028 0.000 0.761 65 E HN 0.997 9.357 8.360 -0.000 0.000 0.507 66 T N -2.576 111.967 114.554 -0.019 0.000 3.081 66 T HA 0.291 4.640 4.350 -0.001 0.000 0.255 66 T C 0.791 175.492 174.700 0.001 0.000 1.113 66 T CA 0.254 62.347 62.100 -0.011 0.000 1.082 66 T CB 0.646 69.506 68.868 -0.014 0.000 0.939 66 T HN 0.220 8.460 8.240 -0.000 0.000 0.506 67 G N 0.700 109.505 108.800 0.008 0.000 2.357 67 G HA2 0.157 4.116 3.960 -0.001 0.000 0.643 67 G HA3 0.157 4.116 3.960 -0.001 0.000 0.643 67 G C -0.988 173.942 174.900 0.050 0.000 1.358 67 G CA -0.912 44.203 45.100 0.024 0.000 0.986 67 G HN 0.429 8.719 8.290 -0.000 0.000 0.620 68 I N 1.345 121.965 120.570 0.083 0.000 2.662 68 I HA 0.374 4.543 4.170 -0.001 0.000 0.285 68 I C 0.989 177.164 176.117 0.097 0.000 1.161 68 I CA 1.076 62.453 61.300 0.129 0.000 1.415 68 I CB 0.860 38.972 38.000 0.186 0.000 1.385 68 I HN 0.676 8.886 8.210 -0.000 0.000 0.552 69 T N 3.867 118.475 114.554 0.090 0.000 2.868 69 T HA 0.552 4.901 4.350 -0.001 0.000 0.306 69 T C 0.357 175.124 174.700 0.111 0.000 1.224 69 T CA -0.100 62.049 62.100 0.081 0.000 1.012 69 T CB 1.712 70.609 68.868 0.048 0.000 1.221 69 T HN 0.561 8.801 8.240 -0.000 0.000 0.499 70 A N 1.493 124.392 122.820 0.132 0.000 2.218 70 A HA 0.310 4.630 4.320 -0.001 0.000 0.209 70 A C 1.092 178.818 177.584 0.237 0.000 1.168 70 A CA 1.028 53.202 52.037 0.229 0.000 0.804 70 A CB -0.348 18.745 19.000 0.155 0.000 0.834 70 A HN 1.040 9.190 8.150 -0.000 0.000 0.482 71 T N -1.309 113.305 114.554 0.099 0.000 3.410 71 T HA 0.496 4.846 4.350 -0.001 0.000 0.328 71 T C -3.020 171.659 174.700 -0.035 0.000 1.567 71 T CA -1.845 60.274 62.100 0.031 0.000 1.626 71 T CB 0.541 69.433 68.868 0.039 0.000 0.939 71 T HN -0.044 8.196 8.240 -0.000 0.000 0.656 72 P HA 0.044 4.464 4.420 -0.000 0.000 0.264 72 P C 1.525 178.764 177.300 -0.101 0.000 1.179 72 P CA -0.399 62.634 63.100 -0.112 0.000 0.763 72 P CB 0.370 31.958 31.700 -0.188 0.000 0.806 73 C N 1.131 120.381 119.300 -0.084 0.000 2.446 73 C HA 0.191 4.651 4.460 -0.001 0.000 0.279 73 C C 1.860 176.797 174.990 -0.089 0.000 1.366 73 C CA 0.564 59.538 59.018 -0.073 0.000 1.763 73 C CB -1.661 26.044 27.740 -0.058 0.000 1.929 73 C HN 0.784 9.014 8.230 -0.000 0.000 0.509 74 G N 0.147 108.879 108.800 -0.113 0.000 2.168 74 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.257 74 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.257 74 G C 0.544 175.385 174.900 -0.100 0.000 0.997 74 G CA 0.616 45.644 45.100 -0.119 0.000 0.708 74 G HN 0.988 9.278 8.290 -0.000 0.000 0.520 75 V N -0.232 119.630 119.914 -0.088 0.000 3.497 75 V HA 0.114 4.233 4.120 -0.001 0.000 0.272 75 V C 2.004 178.057 176.094 -0.069 0.000 1.474 75 V CA 0.764 63.021 62.300 -0.071 0.000 1.025 75 V CB 0.167 31.956 31.823 -0.056 0.000 0.820 75 V HN 1.043 9.233 8.190 -0.000 0.000 0.437 76 C N -0.381 118.872 119.300 -0.078 0.000 2.580 76 C HA 0.321 4.781 4.460 -0.001 0.000 0.371 76 C C 1.759 176.695 174.990 -0.089 0.000 1.308 76 C CA -0.331 58.644 59.018 -0.072 0.000 2.428 76 C CB 0.431 28.127 27.740 -0.074 0.000 2.529 76 C HN 0.477 8.707 8.230 -0.000 0.000 0.657 77 D N 0.759 121.118 120.400 -0.068 0.000 2.269 77 D HA -0.081 4.559 4.640 -0.001 0.000 0.208 77 D C 1.586 177.811 176.300 -0.124 0.000 0.963 77 D CA 1.240 55.202 54.000 -0.065 0.000 0.864 77 D CB -0.243 40.547 40.800 -0.016 0.000 0.936 77 D HN 0.621 8.991 8.370 -0.000 0.000 0.505 78 N N 0.142 118.727 118.700 -0.192 0.000 2.106 78 N HA -0.103 4.636 4.740 -0.001 0.000 0.188 78 N C 1.892 177.048 175.510 -0.589 0.000 1.029 78 N CA 0.690 53.435 53.050 -0.508 0.000 0.848 78 N CB -0.592 37.657 38.487 -0.397 0.000 1.007 78 N HN 0.145 8.525 8.380 -0.000 0.000 0.423 79 C N 0.414 119.510 119.300 -0.341 0.000 2.432 79 C HA 0.020 4.479 4.460 -0.001 0.000 0.277 79 C C 2.679 177.534 174.990 -0.224 0.000 1.249 79 C CA 0.281 59.135 59.018 -0.275 0.000 1.725 79 C CB -0.852 26.773 27.740 -0.192 0.000 2.028 79 C HN 0.455 8.685 8.230 -0.000 0.000 0.477 80 R N 0.610 121.006 120.500 -0.173 0.000 2.083 80 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 80 R C 2.106 178.341 176.300 -0.109 0.000 1.137 80 R CA 1.791 57.817 56.100 -0.122 0.000 0.951 80 R CB -0.273 29.974 30.300 -0.089 0.000 0.851 80 R HN 0.626 8.896 8.270 -0.000 0.000 0.434 81 E N -0.107 120.026 120.200 -0.111 0.000 2.150 81 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 81 E C 1.961 178.538 176.600 -0.039 0.000 0.985 81 E CA 0.922 57.300 56.400 -0.035 0.000 0.814 81 E CB 0.034 29.782 29.700 0.081 0.000 0.752 81 E HN 0.376 8.736 8.360 -0.000 0.000 0.466 82 I N 0.755 121.226 120.570 -0.165 0.000 2.252 82 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 82 I C 2.409 178.474 176.117 -0.088 0.000 1.102 82 I CA 0.901 62.128 61.300 -0.122 0.000 1.385 82 I CB -0.052 37.800 38.000 -0.246 0.000 1.064 82 I HN 0.057 8.267 8.210 -0.000 0.000 0.414 83 E N 1.159 121.290 120.200 -0.115 0.000 2.110 83 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 83 E C 1.996 178.554 176.600 -0.069 0.000 0.988 83 E CA 1.509 57.849 56.400 -0.100 0.000 0.804 83 E CB -0.062 29.570 29.700 -0.114 0.000 0.745 83 E HN 0.445 8.805 8.360 -0.000 0.000 0.458 84 Q N -1.277 118.490 119.800 -0.055 0.000 2.444 84 Q HA 0.189 4.528 4.340 -0.001 0.000 0.206 84 Q C 0.751 176.742 176.000 -0.015 0.000 0.948 84 Q CA 0.496 56.279 55.803 -0.034 0.000 0.946 84 Q CB 0.472 29.194 28.738 -0.027 0.000 1.027 84 Q HN 0.366 8.636 8.270 -0.000 0.000 0.513 85 G N 2.357 111.153 108.800 -0.007 0.000 2.273 85 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.280 85 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.280 85 G C 0.135 175.053 174.900 0.030 0.000 1.047 85 G CA 0.625 45.732 45.100 0.012 0.000 0.869 85 G HN 0.489 8.779 8.290 -0.000 0.000 0.502 86 R N -1.541 118.993 120.500 0.056 0.000 2.635 86 R HA 0.467 4.807 4.340 -0.001 0.000 0.393 86 R C -0.390 175.988 176.300 0.129 0.000 1.070 86 R CA -0.920 55.216 56.100 0.060 0.000 1.118 86 R CB 0.147 30.467 30.300 0.033 0.000 1.341 86 R HN 0.286 8.556 8.270 -0.000 0.000 0.628 87 F N 1.620 121.543 119.950 -0.045 0.000 2.405 87 F HA 0.258 4.784 4.527 -0.001 0.000 0.355 87 F C 1.384 177.151 175.800 -0.055 0.000 1.121 87 F CA -1.177 56.794 58.000 -0.047 0.000 1.112 87 F CB 1.449 40.421 39.000 -0.047 0.000 1.126 87 F HN -0.123 8.177 8.300 -0.000 0.000 0.481 88 V N 3.582 123.218 119.914 -0.463 0.000 2.317 88 V HA -0.313 3.806 4.120 -0.001 0.000 0.251 88 V C 1.138 176.874 176.094 -0.597 0.000 1.065 88 V CA 2.209 64.232 62.300 -0.462 0.000 1.049 88 V CB -0.515 31.071 31.823 -0.395 0.000 0.651 88 V HN 0.657 8.847 8.190 -0.000 0.000 0.450 89 D N -0.021 119.699 120.400 -1.132 0.000 2.538 89 D HA 0.292 4.931 4.640 -0.001 0.000 0.234 89 D C -0.139 175.995 176.300 -0.277 0.000 1.191 89 D CA 0.154 53.750 54.000 -0.675 0.000 0.828 89 D CB 0.717 41.172 40.800 -0.576 0.000 0.981 89 D HN 0.302 8.672 8.370 -0.000 0.000 0.490 90 L N 0.977 122.090 121.223 -0.183 0.000 2.529 90 L HA 0.370 4.709 4.340 -0.001 0.000 0.258 90 L C -1.222 175.585 176.870 -0.106 0.000 1.032 90 L CA -0.423 54.411 54.840 -0.010 0.000 0.899 90 L CB 0.999 43.193 42.059 0.225 0.000 1.174 90 L HN -0.164 8.066 8.230 -0.000 0.000 0.458 91 I N 3.563 123.985 120.570 -0.246 0.000 2.312 91 I HA 0.247 4.417 4.170 -0.001 0.000 0.291 91 I C 0.112 176.193 176.117 -0.059 0.000 1.031 91 I CA -0.149 61.026 61.300 -0.209 0.000 1.293 91 I CB 0.927 38.680 38.000 -0.412 0.000 1.403 91 I HN 0.544 8.754 8.210 -0.000 0.000 0.484 92 E N 7.641 127.840 120.200 -0.002 0.000 2.014 92 E HA 0.383 4.732 4.350 -0.001 0.000 0.275 92 E C -0.652 175.987 176.600 0.066 0.000 0.997 92 E CA -0.296 56.132 56.400 0.046 0.000 0.804 92 E CB 1.098 30.818 29.700 0.033 0.000 1.090 92 E HN 0.497 8.857 8.360 -0.000 0.000 0.401 93 I N 2.721 123.357 120.570 0.111 0.000 2.304 93 I HA 0.088 4.257 4.170 -0.001 0.000 0.291 93 I C -0.049 176.119 176.117 0.086 0.000 1.018 93 I CA -0.597 60.768 61.300 0.109 0.000 1.260 93 I CB 0.872 38.969 38.000 0.163 0.000 1.390 93 I HN 0.366 8.576 8.210 -0.000 0.000 0.475 94 D N 5.812 126.245 120.400 0.055 0.000 2.428 94 D HA 0.346 4.985 4.640 -0.001 0.000 0.221 94 D C 0.894 177.204 176.300 0.017 0.000 1.123 94 D CA -0.359 53.665 54.000 0.040 0.000 0.869 94 D CB 1.624 42.442 40.800 0.030 0.000 1.032 94 D HN 0.603 8.973 8.370 -0.000 0.000 0.506 95 A N 3.503 126.327 122.820 0.006 0.000 2.121 95 A HA 0.079 4.398 4.320 -0.001 0.000 0.218 95 A C 1.949 179.492 177.584 -0.068 0.000 1.154 95 A CA 1.286 53.297 52.037 -0.043 0.000 0.679 95 A CB -0.271 18.687 19.000 -0.070 0.000 0.795 95 A HN 0.611 8.761 8.150 -0.000 0.000 0.458 96 A N -0.749 122.044 122.820 -0.046 0.000 2.208 96 A HA 0.298 4.617 4.320 -0.001 0.000 0.209 96 A C 1.370 178.940 177.584 -0.024 0.000 1.161 96 A CA 0.652 52.662 52.037 -0.045 0.000 0.782 96 A CB -0.447 18.542 19.000 -0.020 0.000 0.816 96 A HN 0.393 8.543 8.150 -0.000 0.000 0.477 97 S N -0.135 115.556 115.700 -0.016 0.000 2.516 97 S HA 0.155 4.624 4.470 -0.001 0.000 0.282 97 S C 1.343 175.934 174.600 -0.014 0.000 1.286 97 S CA -0.392 57.803 58.200 -0.009 0.000 1.066 97 S CB 0.240 63.439 63.200 -0.002 0.000 0.884 97 S HN 0.560 8.870 8.310 -0.000 0.000 0.491 98 R N 1.934 122.428 120.500 -0.010 0.000 2.062 98 R HA -0.051 4.289 4.340 -0.001 0.000 0.231 98 R C 1.605 177.899 176.300 -0.010 0.000 1.136 98 R CA 1.697 57.790 56.100 -0.011 0.000 0.948 98 R CB -0.734 29.562 30.300 -0.006 0.000 0.845 98 R HN 0.808 9.078 8.270 -0.000 0.000 0.430 99 T N -0.027 114.523 114.554 -0.006 0.000 3.624 99 T HA 0.171 4.521 4.350 -0.001 0.000 0.231 99 T C -0.134 174.563 174.700 -0.005 0.000 0.865 99 T CA -0.114 61.983 62.100 -0.005 0.000 0.926 99 T CB -0.004 68.862 68.868 -0.003 0.000 1.189 99 T HN -0.160 8.080 8.240 -0.000 0.000 0.640 100 K N 0.934 121.329 120.400 -0.008 0.000 2.652 100 K HA 0.448 4.768 4.320 -0.001 0.000 0.249 100 K C -0.457 176.136 176.600 -0.012 0.000 0.986 100 K CA -0.508 55.775 56.287 -0.006 0.000 0.867 100 K CB 2.140 34.639 32.500 -0.001 0.000 1.201 100 K HN 0.093 8.343 8.250 -0.000 0.000 0.450 101 V N 1.318 121.226 119.914 -0.011 0.000 3.668 101 V HA 0.009 4.128 4.120 -0.001 0.000 0.199 101 V C 1.803 177.892 176.094 -0.009 0.000 1.241 101 V CA 0.314 62.604 62.300 -0.016 0.000 1.308 101 V CB -0.067 31.743 31.823 -0.021 0.000 1.411 101 V HN 0.627 8.817 8.190 -0.000 0.000 0.535 102 E N 0.871 121.067 120.200 -0.007 0.000 2.049 102 E HA -0.273 4.077 4.350 -0.001 0.000 0.198 102 E C 1.841 178.450 176.600 0.014 0.000 1.007 102 E CA 1.837 58.237 56.400 0.000 0.000 0.809 102 E CB -0.214 29.485 29.700 -0.001 0.000 0.749 102 E HN 0.537 8.897 8.360 -0.000 0.000 0.450 103 D N 0.008 120.416 120.400 0.014 0.000 2.192 103 D HA -0.189 4.450 4.640 -0.001 0.000 0.189 103 D C 2.041 178.366 176.300 0.042 0.000 1.007 103 D CA 2.129 56.145 54.000 0.026 0.000 0.859 103 D CB -0.352 40.461 40.800 0.021 0.000 0.936 103 D HN 0.220 8.590 8.370 -0.000 0.000 0.447 104 T N 0.336 114.908 114.554 0.031 0.000 2.809 104 T HA -0.090 4.259 4.350 -0.001 0.000 0.260 104 T C 1.979 176.702 174.700 0.038 0.000 1.039 104 T CA 0.850 62.972 62.100 0.037 0.000 1.141 104 T CB 0.092 68.964 68.868 0.007 0.000 0.869 104 T HN 0.147 8.387 8.240 -0.000 0.000 0.437 105 R N 1.080 121.597 120.500 0.029 0.000 2.062 105 R HA -0.122 4.217 4.340 -0.001 0.000 0.231 105 R C 2.199 178.542 176.300 0.072 0.000 1.136 105 R CA 1.967 58.101 56.100 0.057 0.000 0.948 105 R CB -0.455 29.866 30.300 0.034 0.000 0.845 105 R HN 0.278 8.548 8.270 -0.000 0.000 0.430 106 D N 0.240 120.669 120.400 0.048 0.000 2.097 106 D HA -0.158 4.481 4.640 -0.001 0.000 0.195 106 D C 2.108 178.442 176.300 0.057 0.000 0.989 106 D CA 1.274 55.302 54.000 0.047 0.000 0.827 106 D CB -0.079 40.739 40.800 0.029 0.000 0.966 106 D HN 0.232 8.602 8.370 -0.000 0.000 0.456 107 L N -0.155 121.112 121.223 0.073 0.000 2.043 107 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 107 L C 2.077 179.007 176.870 0.099 0.000 1.075 107 L CA 0.580 55.492 54.840 0.119 0.000 0.752 107 L CB -0.260 41.903 42.059 0.173 0.000 0.891 107 L HN 0.280 8.510 8.230 -0.000 0.000 0.432 108 L N -0.995 120.261 121.223 0.055 0.000 2.554 108 L HA -0.089 4.251 4.340 -0.001 0.000 0.226 108 L C 1.601 178.465 176.870 -0.011 0.000 1.137 108 L CA 1.306 56.139 54.840 -0.011 0.000 0.863 108 L CB -0.904 41.144 42.059 -0.019 0.000 0.985 108 L HN 0.275 8.505 8.230 -0.000 0.000 0.451 109 D N -0.586 119.835 120.400 0.035 0.000 2.338 109 D HA 0.037 4.676 4.640 -0.001 0.000 0.208 109 D C 0.674 176.988 176.300 0.023 0.000 0.997 109 D CA 0.482 54.514 54.000 0.053 0.000 0.880 109 D CB 0.479 41.354 40.800 0.125 0.000 0.980 109 D HN 0.285 8.655 8.370 -0.000 0.000 0.509 110 N N 1.093 119.796 118.700 0.006 0.000 2.914 110 N HA 0.110 4.850 4.740 -0.001 0.000 0.304 110 N C -0.606 174.862 175.510 -0.071 0.000 1.727 110 N CA -0.069 52.964 53.050 -0.028 0.000 0.986 110 N CB 2.255 40.744 38.487 0.002 0.000 1.297 110 N HN -0.139 8.241 8.380 -0.000 0.000 0.490 111 V N 1.681 121.492 119.914 -0.171 0.000 2.458 111 V HA -0.069 4.051 4.120 -0.001 0.000 0.287 111 V C 0.836 176.639 176.094 -0.486 0.000 1.009 111 V CA 0.223 62.373 62.300 -0.249 0.000 1.091 111 V CB 0.165 31.817 31.823 -0.284 0.000 0.960 111 V HN 0.332 8.522 8.190 -0.000 0.000 0.476 112 Q N 4.481 124.208 119.800 -0.122 0.000 2.402 112 Q HA 0.188 4.527 4.340 -0.001 0.000 0.238 112 Q C -0.099 175.871 176.000 -0.050 0.000 1.126 112 Q CA -0.195 55.531 55.803 -0.128 0.000 0.904 112 Q CB 0.355 29.077 28.738 -0.027 0.000 1.357 112 Q HN 0.765 9.035 8.270 -0.000 0.000 0.491 113 Y N 0.596 120.970 120.300 0.124 0.000 2.439 113 Y HA -0.001 4.548 4.550 -0.001 0.000 0.292 113 Y C 1.147 177.126 175.900 0.132 0.000 1.130 113 Y CA 0.081 58.264 58.100 0.139 0.000 1.254 113 Y CB 0.253 38.786 38.460 0.122 0.000 1.000 113 Y HN 0.488 8.768 8.280 -0.000 0.000 0.554 114 A N 1.475 124.409 122.820 0.191 0.000 2.444 114 A HA 0.469 4.788 4.320 -0.001 0.000 0.332 114 A C -2.450 175.139 177.584 0.010 0.000 1.430 114 A CA -1.599 50.490 52.037 0.087 0.000 0.975 114 A CB -0.449 18.587 19.000 0.060 0.000 1.147 114 A HN -0.038 8.112 8.150 -0.000 0.000 0.524 115 P HA 0.205 4.625 4.420 -0.000 0.000 0.264 115 P C 0.912 178.155 177.300 -0.095 0.000 1.193 115 P CA 0.428 63.494 63.100 -0.058 0.000 0.763 115 P CB 1.234 32.907 31.700 -0.046 0.000 0.810 116 A N 4.222 126.966 122.820 -0.127 0.000 1.824 116 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 116 A C 2.119 179.640 177.584 -0.105 0.000 1.244 116 A CA 1.488 53.452 52.037 -0.121 0.000 0.604 116 A CB -0.762 18.148 19.000 -0.152 0.000 0.900 116 A HN 0.400 8.550 8.150 -0.000 0.000 0.455 117 R N -0.460 119.961 120.500 -0.132 0.000 2.090 117 R HA 0.181 4.520 4.340 -0.001 0.000 0.219 117 R C 1.301 177.633 176.300 0.053 0.000 1.100 117 R CA 0.933 57.017 56.100 -0.028 0.000 0.991 117 R CB -0.895 29.424 30.300 0.032 0.000 0.893 117 R HN 0.537 8.807 8.270 -0.000 0.000 0.443 118 G N -0.341 108.513 108.800 0.090 0.000 2.580 118 G HA2 0.167 4.126 3.960 -0.001 0.000 0.278 118 G HA3 0.167 4.126 3.960 -0.001 0.000 0.278 118 G C 0.091 174.996 174.900 0.009 0.000 1.212 118 G CA -0.265 44.947 45.100 0.188 0.000 0.939 118 G HN 0.430 8.720 8.290 -0.000 0.000 0.513 119 R N -1.615 118.850 120.500 -0.059 0.000 2.240 119 R HA 0.196 4.535 4.340 -0.001 0.000 0.203 119 R C -0.500 175.549 176.300 -0.418 0.000 1.011 119 R CA 0.490 56.406 56.100 -0.307 0.000 1.007 119 R CB -0.010 30.012 30.300 -0.464 0.000 0.911 119 R HN 0.225 8.495 8.270 -0.000 0.000 0.468 120 F N 0.522 120.533 119.950 0.102 0.000 2.576 120 F HA 0.392 4.918 4.527 -0.001 0.000 0.313 120 F C -0.405 175.440 175.800 0.074 0.000 1.078 120 F CA -1.612 56.461 58.000 0.123 0.000 0.921 120 F CB 2.024 41.108 39.000 0.139 0.000 1.232 120 F HN -0.293 8.007 8.300 -0.000 0.000 0.459 121 K N 2.151 122.717 120.400 0.277 0.000 2.292 121 K HA 0.613 4.933 4.320 -0.001 0.000 0.270 121 K C -1.542 175.086 176.600 0.046 0.000 1.062 121 K CA -0.182 56.151 56.287 0.076 0.000 0.916 121 K CB 0.622 33.163 32.500 0.068 0.000 1.166 121 K HN 0.442 8.692 8.250 -0.000 0.000 0.458 122 V N 5.867 125.773 119.914 -0.013 0.000 2.427 122 V HA 0.336 4.456 4.120 -0.001 0.000 0.286 122 V C -0.785 175.223 176.094 -0.143 0.000 1.034 122 V CA -0.715 61.579 62.300 -0.009 0.000 0.893 122 V CB 0.710 32.579 31.823 0.077 0.000 0.982 122 V HN 0.562 8.752 8.190 -0.000 0.000 0.452 123 Y N 4.825 125.085 120.300 -0.066 0.000 2.331 123 Y HA 0.582 5.131 4.550 -0.001 0.000 0.338 123 Y C -0.129 175.852 175.900 0.136 0.000 0.976 123 Y CA -0.774 57.348 58.100 0.037 0.000 1.137 123 Y CB 1.669 40.177 38.460 0.079 0.000 1.172 123 Y HN 0.489 8.769 8.280 -0.000 0.000 0.478 124 L N 6.203 127.562 121.223 0.226 0.000 2.301 124 L HA 0.565 4.905 4.340 -0.001 0.000 0.278 124 L C -1.199 175.798 176.870 0.211 0.000 1.022 124 L CA -0.535 54.429 54.840 0.206 0.000 0.854 124 L CB 0.105 42.236 42.059 0.120 0.000 1.226 124 L HN 0.505 8.735 8.230 -0.000 0.000 0.429 125 I N 4.196 124.916 120.570 0.250 0.000 2.337 125 I HA 0.265 4.434 4.170 -0.001 0.000 0.285 125 I C -0.279 175.946 176.117 0.179 0.000 1.041 125 I CA -0.595 60.830 61.300 0.208 0.000 1.199 125 I CB 1.105 39.241 38.000 0.227 0.000 1.370 125 I HN 0.505 8.715 8.210 -0.000 0.000 0.470 126 D N 6.535 127.018 120.400 0.137 0.000 2.302 126 D HA 0.061 4.701 4.640 -0.001 0.000 0.248 126 D C 0.401 176.773 176.300 0.121 0.000 1.094 126 D CA 0.451 54.529 54.000 0.130 0.000 0.897 126 D CB 0.772 41.630 40.800 0.096 0.000 1.200 126 D HN 0.389 8.759 8.370 -0.000 0.000 0.429 127 E N 1.704 122.006 120.200 0.171 0.000 2.297 127 E HA -0.177 4.172 4.350 -0.001 0.000 0.228 127 E C 1.049 177.701 176.600 0.087 0.000 1.213 127 E CA 0.317 56.828 56.400 0.187 0.000 0.712 127 E CB -1.751 27.979 29.700 0.051 0.000 1.202 127 E HN 0.372 8.732 8.360 -0.000 0.000 0.376 128 V N 1.272 121.310 119.914 0.206 0.000 2.794 128 V HA -0.296 3.824 4.120 -0.001 0.000 0.260 128 V C 2.409 178.660 176.094 0.261 0.000 1.103 128 V CA 2.563 64.980 62.300 0.195 0.000 1.125 128 V CB -0.523 31.442 31.823 0.238 0.000 0.702 128 V HN 0.630 8.820 8.190 -0.000 0.000 0.494 129 H N -1.068 118.129 119.070 0.211 0.000 2.524 129 H HA 0.009 4.565 4.556 -0.001 0.000 0.282 129 H C 1.516 176.987 175.328 0.239 0.000 1.016 129 H CA 0.989 57.213 56.048 0.294 0.000 1.270 129 H CB -0.527 29.339 29.762 0.173 0.000 1.394 129 H HN 0.490 8.770 8.280 -0.000 0.000 0.568 130 M N 1.567 120.913 119.600 -0.424 0.000 2.719 130 M HA 0.253 4.732 4.480 -0.001 0.000 0.247 130 M C -0.263 175.872 176.300 -0.275 0.000 1.287 130 M CA 0.071 55.176 55.300 -0.326 0.000 1.004 130 M CB 0.225 32.594 32.600 -0.386 0.000 1.514 130 M HN 0.070 8.360 8.290 -0.000 0.000 0.462 131 L N -0.151 120.804 121.223 -0.446 0.000 2.387 131 L HA 0.406 4.746 4.340 -0.001 0.000 0.266 131 L C 0.980 177.356 176.870 -0.822 0.000 1.059 131 L CA -0.639 53.778 54.840 -0.705 0.000 0.801 131 L CB 1.661 43.132 42.059 -0.980 0.000 1.223 131 L HN 0.262 8.492 8.230 -0.000 0.000 0.456 132 S N 0.710 116.101 115.700 -0.515 0.000 2.624 132 S HA 0.211 4.681 4.470 -0.001 0.000 0.263 132 S C 0.931 175.388 174.600 -0.238 0.000 1.287 132 S CA -0.471 57.567 58.200 -0.269 0.000 0.990 132 S CB 0.962 64.098 63.200 -0.106 0.000 0.950 132 S HN 0.609 8.919 8.310 -0.000 0.000 0.561 133 R N -0.417 120.099 120.500 0.026 0.000 2.148 133 R HA -0.071 4.268 4.340 -0.001 0.000 0.227 133 R C 2.136 178.517 176.300 0.135 0.000 1.103 133 R CA 1.554 57.760 56.100 0.176 0.000 0.983 133 R CB -0.645 29.743 30.300 0.147 0.000 0.874 133 R HN 0.898 9.168 8.270 -0.000 0.000 0.451 134 H N 0.947 120.020 119.070 0.005 0.000 2.284 134 H HA -0.075 4.481 4.556 -0.001 0.000 0.304 134 H C 2.218 177.542 175.328 -0.007 0.000 1.069 134 H CA 2.264 58.312 56.048 -0.000 0.000 1.327 134 H CB -0.077 29.673 29.762 -0.020 0.000 1.387 134 H HN 0.110 8.390 8.280 -0.000 0.000 0.498 135 S N -0.232 115.447 115.700 -0.035 0.000 2.359 135 S HA -0.232 4.238 4.470 -0.001 0.000 0.224 135 S C 2.261 176.820 174.600 -0.068 0.000 1.035 135 S CA 1.394 59.533 58.200 -0.102 0.000 1.018 135 S CB -1.248 61.884 63.200 -0.114 0.000 0.876 135 S HN 0.491 8.801 8.310 -0.000 0.000 0.448 136 F N 2.451 122.346 119.950 -0.091 0.000 2.065 136 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 136 F C 2.941 178.658 175.800 -0.138 0.000 1.112 136 F CA 1.528 59.468 58.000 -0.101 0.000 1.212 136 F CB -0.439 38.526 39.000 -0.058 0.000 0.975 136 F HN 0.342 8.642 8.300 -0.000 0.000 0.476 137 N N -0.009 118.735 118.700 0.073 0.000 2.289 137 N HA -0.155 4.584 4.740 -0.001 0.000 0.184 137 N C 1.775 177.216 175.510 -0.114 0.000 1.016 137 N CA 0.632 53.658 53.050 -0.040 0.000 0.872 137 N CB -0.046 38.409 38.487 -0.053 0.000 0.973 137 N HN 0.240 8.620 8.380 -0.000 0.000 0.433 138 A N 0.846 123.557 122.820 -0.180 0.000 1.897 138 A HA -0.083 4.236 4.320 -0.001 0.000 0.215 138 A C 2.015 179.501 177.584 -0.163 0.000 1.181 138 A CA 0.658 52.578 52.037 -0.196 0.000 0.620 138 A CB -0.523 18.327 19.000 -0.250 0.000 0.821 138 A HN 0.309 8.459 8.150 -0.000 0.000 0.443 139 L N -0.626 120.494 121.223 -0.172 0.000 2.056 139 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 139 L C 2.203 178.917 176.870 -0.259 0.000 1.078 139 L CA 1.873 56.532 54.840 -0.301 0.000 0.749 139 L CB -0.609 41.320 42.059 -0.216 0.000 0.901 139 L HN 0.365 8.595 8.230 -0.000 0.000 0.433 140 L N -0.447 120.686 121.223 -0.150 0.000 2.046 140 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 140 L C 2.404 179.212 176.870 -0.103 0.000 1.077 140 L CA 1.794 56.560 54.840 -0.124 0.000 0.747 140 L CB -0.765 41.239 42.059 -0.093 0.000 0.896 140 L HN 0.230 8.460 8.230 -0.000 0.000 0.432 141 K N -1.153 119.193 120.400 -0.090 0.000 2.057 141 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 141 K C 1.857 178.431 176.600 -0.044 0.000 1.049 141 K CA 1.917 58.168 56.287 -0.060 0.000 0.931 141 K CB -0.365 32.106 32.500 -0.048 0.000 0.714 141 K HN 0.414 8.664 8.250 -0.000 0.000 0.440 142 T N 1.750 116.276 114.554 -0.047 0.000 2.812 142 T HA -0.026 4.323 4.350 -0.001 0.000 0.264 142 T C 1.799 176.495 174.700 -0.006 0.000 1.042 142 T CA 0.837 62.951 62.100 0.024 0.000 1.140 142 T CB -0.078 68.848 68.868 0.097 0.000 0.870 142 T HN 0.099 8.339 8.240 -0.000 0.000 0.445 143 L N 0.597 121.772 121.223 -0.080 0.000 2.275 143 L HA 0.004 4.344 4.340 -0.001 0.000 0.215 143 L C 2.588 179.419 176.870 -0.065 0.000 1.119 143 L CA 1.087 55.890 54.840 -0.061 0.000 0.790 143 L CB -0.432 41.565 42.059 -0.102 0.000 0.919 143 L HN 0.321 8.551 8.230 -0.000 0.000 0.443 144 E N 0.335 120.495 120.200 -0.067 0.000 2.112 144 E HA -0.090 4.260 4.350 -0.001 0.000 0.190 144 E C 0.246 176.807 176.600 -0.066 0.000 0.979 144 E CA 0.673 57.037 56.400 -0.060 0.000 0.814 144 E CB 0.303 29.971 29.700 -0.053 0.000 0.762 144 E HN 0.487 8.847 8.360 -0.000 0.000 0.460 145 E N 1.013 121.172 120.200 -0.070 0.000 3.406 145 E HA 0.189 4.538 4.350 -0.001 0.000 0.210 145 E C -2.583 173.944 176.600 -0.122 0.000 1.167 145 E CA -1.786 54.562 56.400 -0.087 0.000 1.132 145 E CB 1.177 30.835 29.700 -0.069 0.000 1.309 145 E HN -0.014 8.346 8.360 -0.000 0.000 0.424 146 P HA -0.049 4.371 4.420 -0.000 0.000 0.253 146 P C -2.417 174.710 177.300 -0.289 0.000 1.170 146 P CA -0.549 62.320 63.100 -0.385 0.000 0.806 146 P CB -0.183 30.967 31.700 -0.916 0.000 0.775 147 P HA -0.022 4.398 4.420 -0.000 0.000 0.265 147 P C 0.973 178.293 177.300 0.034 0.000 1.222 147 P CA 0.086 63.165 63.100 -0.035 0.000 0.767 147 P CB 0.334 32.171 31.700 0.228 0.000 0.801 148 E N 2.491 122.660 120.200 -0.053 0.000 2.396 148 E HA -0.237 4.113 4.350 -0.001 0.000 0.200 148 E C -0.051 176.554 176.600 0.008 0.000 1.023 148 E CA 1.379 57.766 56.400 -0.022 0.000 0.857 148 E CB -0.347 29.225 29.700 -0.213 0.000 0.775 148 E HN 0.644 9.004 8.360 -0.000 0.000 0.525 149 H N -0.647 118.596 119.070 0.288 0.000 2.674 149 H HA 0.327 4.883 4.556 -0.001 0.000 0.274 149 H C -0.825 174.746 175.328 0.405 0.000 1.121 149 H CA -0.612 55.644 56.048 0.347 0.000 1.132 149 H CB 1.277 31.154 29.762 0.191 0.000 1.606 149 H HN -0.066 8.214 8.280 -0.000 0.000 0.558 150 V N 1.322 121.487 119.914 0.418 0.000 2.680 150 V HA 0.358 4.477 4.120 -0.001 0.000 0.309 150 V C -0.323 175.856 176.094 0.142 0.000 1.052 150 V CA -0.886 61.570 62.300 0.259 0.000 0.908 150 V CB 2.401 34.346 31.823 0.203 0.000 1.001 150 V HN 0.186 8.376 8.190 -0.000 0.000 0.431 151 K N 3.098 123.485 120.400 -0.022 0.000 2.464 151 K HA 0.635 4.954 4.320 -0.001 0.000 0.253 151 K C -1.862 174.658 176.600 -0.134 0.000 0.933 151 K CA -0.540 55.744 56.287 -0.005 0.000 0.801 151 K CB 2.656 35.150 32.500 -0.010 0.000 1.271 151 K HN 0.434 8.684 8.250 -0.000 0.000 0.430 152 F N 2.695 122.819 119.950 0.290 0.000 2.426 152 F HA 0.407 4.933 4.527 -0.001 0.000 0.348 152 F C -0.121 175.872 175.800 0.322 0.000 1.124 152 F CA -0.775 57.392 58.000 0.279 0.000 1.008 152 F CB 1.060 40.168 39.000 0.181 0.000 1.139 152 F HN 0.092 8.392 8.300 -0.000 0.000 0.452 153 L N 5.928 127.430 121.223 0.465 0.000 2.324 153 L HA 0.514 4.853 4.340 -0.001 0.000 0.274 153 L C -0.817 176.301 176.870 0.412 0.000 1.012 153 L CA -0.463 54.647 54.840 0.451 0.000 0.859 153 L CB 0.888 43.160 42.059 0.354 0.000 1.224 153 L HN 0.486 8.716 8.230 -0.000 0.000 0.429 154 L N 2.738 124.192 121.223 0.384 0.000 2.334 154 L HA 0.916 5.255 4.340 -0.001 0.000 0.275 154 L C 0.166 177.243 176.870 0.346 0.000 1.036 154 L CA -0.565 54.461 54.840 0.309 0.000 0.807 154 L CB 1.759 43.950 42.059 0.221 0.000 1.231 154 L HN 0.642 8.872 8.230 -0.000 0.000 0.438 155 A N 1.086 124.078 122.820 0.287 0.000 2.422 155 A HA 0.796 5.116 4.320 -0.001 0.000 0.302 155 A C -0.675 177.045 177.584 0.228 0.000 1.041 155 A CA -0.464 51.740 52.037 0.278 0.000 0.708 155 A CB 2.122 21.263 19.000 0.235 0.000 1.257 155 A HN 0.615 8.765 8.150 -0.000 0.000 0.414 156 T N -0.199 114.469 114.554 0.190 0.000 2.942 156 T HA 0.492 4.842 4.350 -0.001 0.000 0.327 156 T C 0.526 175.262 174.700 0.059 0.000 1.360 156 T CA 0.452 62.650 62.100 0.164 0.000 1.055 156 T CB 1.254 70.217 68.868 0.159 0.000 1.261 156 T HN 1.377 9.617 8.240 -0.000 0.000 0.485 157 T N -0.241 114.317 114.554 0.007 0.000 3.122 157 T HA 0.311 4.660 4.350 -0.001 0.000 0.250 157 T C 0.128 174.759 174.700 -0.114 0.000 1.067 157 T CA 0.020 62.111 62.100 -0.014 0.000 0.966 157 T CB -0.014 68.871 68.868 0.028 0.000 1.002 157 T HN 0.455 8.695 8.240 -0.000 0.000 0.542 158 D N 1.057 121.292 120.400 -0.275 0.000 2.586 158 D HA 0.326 4.965 4.640 -0.001 0.000 0.254 158 D C -2.285 173.876 176.300 -0.232 0.000 1.248 158 D CA -1.973 51.847 54.000 -0.299 0.000 0.843 158 D CB 1.642 42.155 40.800 -0.477 0.000 1.332 158 D HN -0.072 8.298 8.370 -0.000 0.000 0.523 159 P HA -0.231 4.189 4.420 -0.000 0.000 0.213 159 P C 1.448 178.725 177.300 -0.039 0.000 1.176 159 P CA 1.900 64.971 63.100 -0.049 0.000 0.919 159 P CB 0.152 31.842 31.700 -0.016 0.000 0.791 160 Q N 0.293 120.075 119.800 -0.029 0.000 2.290 160 Q HA -0.222 4.117 4.340 -0.001 0.000 0.211 160 Q C 1.381 177.368 176.000 -0.022 0.000 0.991 160 Q CA 1.819 57.608 55.803 -0.023 0.000 0.893 160 Q CB -1.109 27.621 28.738 -0.014 0.000 0.913 160 Q HN 0.226 8.496 8.270 -0.000 0.000 0.428 161 K N 0.102 120.497 120.400 -0.009 0.000 2.551 161 K HA 0.151 4.471 4.320 -0.001 0.000 0.192 161 K C -0.491 176.123 176.600 0.023 0.000 1.027 161 K CA -0.041 56.270 56.287 0.039 0.000 1.059 161 K CB 0.054 32.621 32.500 0.112 0.000 0.831 161 K HN 0.227 8.477 8.250 -0.000 0.000 0.508 162 L N 1.321 122.511 121.223 -0.055 0.000 2.322 162 L HA 0.299 4.638 4.340 -0.001 0.000 0.279 162 L C -2.315 174.394 176.870 -0.268 0.000 1.036 162 L CA -2.467 52.252 54.840 -0.200 0.000 0.807 162 L CB 0.923 42.899 42.059 -0.138 0.000 1.226 162 L HN -0.241 7.989 8.230 -0.000 0.000 0.433 163 P HA -0.056 4.364 4.420 -0.000 0.000 0.262 163 P C 0.882 178.056 177.300 -0.210 0.000 1.182 163 P CA -0.010 62.901 63.100 -0.315 0.000 0.761 163 P CB 0.599 32.055 31.700 -0.406 0.000 0.795 164 V N 2.859 122.689 119.914 -0.140 0.000 2.568 164 V HA -0.263 3.856 4.120 -0.001 0.000 0.253 164 V C 2.230 178.259 176.094 -0.107 0.000 1.072 164 V CA 2.612 64.849 62.300 -0.105 0.000 1.084 164 V CB -1.789 29.989 31.823 -0.076 0.000 0.676 164 V HN 0.690 8.880 8.190 -0.000 0.000 0.469 165 T N -0.199 114.284 114.554 -0.119 0.000 2.867 165 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 165 T C 1.766 176.395 174.700 -0.120 0.000 1.057 165 T CA 1.754 63.790 62.100 -0.107 0.000 1.136 165 T CB -0.479 68.328 68.868 -0.101 0.000 0.874 165 T HN 0.657 8.897 8.240 -0.000 0.000 0.466 166 I N -0.664 119.812 120.570 -0.158 0.000 2.400 166 I HA 0.111 4.281 4.170 -0.001 0.000 0.248 166 I C 2.437 178.480 176.117 -0.124 0.000 1.109 166 I CA 0.531 61.740 61.300 -0.151 0.000 1.425 166 I CB -0.772 37.110 38.000 -0.196 0.000 1.094 166 I HN 0.084 8.294 8.210 -0.000 0.000 0.425 167 L N 2.228 123.375 121.223 -0.126 0.000 1.997 167 L HA -0.254 4.085 4.340 -0.001 0.000 0.216 167 L C 3.063 179.872 176.870 -0.100 0.000 1.074 167 L CA 2.366 57.142 54.840 -0.107 0.000 0.763 167 L CB -0.945 41.058 42.059 -0.094 0.000 0.890 167 L HN 0.523 8.753 8.230 -0.000 0.000 0.434 168 S N -0.383 115.263 115.700 -0.089 0.000 2.465 168 S HA -0.175 4.295 4.470 -0.001 0.000 0.241 168 S C 1.736 176.290 174.600 -0.076 0.000 1.000 168 S CA 0.912 59.066 58.200 -0.078 0.000 0.964 168 S CB -0.368 62.793 63.200 -0.066 0.000 0.763 168 S HN 0.455 8.765 8.310 -0.000 0.000 0.512 169 R N -0.536 119.916 120.500 -0.079 0.000 2.468 169 R HA 0.365 4.704 4.340 -0.001 0.000 0.280 169 R C -0.662 175.595 176.300 -0.072 0.000 0.963 169 R CA -0.246 55.817 56.100 -0.062 0.000 1.083 169 R CB 0.271 30.539 30.300 -0.052 0.000 1.200 169 R HN 0.331 8.601 8.270 -0.000 0.000 0.541 170 C N 1.069 120.302 119.300 -0.112 0.000 2.456 170 C HA 0.377 4.837 4.460 -0.001 0.000 0.325 170 C C -0.284 174.552 174.990 -0.258 0.000 1.217 170 C CA -1.216 57.708 59.018 -0.157 0.000 1.687 170 C CB 1.230 28.892 27.740 -0.130 0.000 2.270 170 C HN 0.282 8.512 8.230 -0.000 0.000 0.499 171 L N 3.864 124.847 121.223 -0.400 0.000 2.325 171 L HA 0.308 4.648 4.340 -0.001 0.000 0.284 171 L C 0.067 176.564 176.870 -0.621 0.000 1.089 171 L CA 0.780 55.276 54.840 -0.572 0.000 0.836 171 L CB 0.011 41.558 42.059 -0.854 0.000 1.184 171 L HN 0.684 8.914 8.230 -0.000 0.000 0.444 172 Q N 4.479 123.931 119.800 -0.580 0.000 2.261 172 Q HA 0.432 4.771 4.340 -0.001 0.000 0.252 172 Q C -1.441 174.120 176.000 -0.731 0.000 0.915 172 Q CA -0.155 55.321 55.803 -0.545 0.000 0.915 172 Q CB 1.526 30.063 28.738 -0.335 0.000 1.204 172 Q HN 0.523 8.793 8.270 -0.000 0.000 0.421 173 F N 0.781 120.530 119.950 -0.334 0.000 2.539 173 F HA 0.276 4.802 4.527 -0.001 0.000 0.318 173 F C -0.597 175.096 175.800 -0.179 0.000 1.135 173 F CA -0.809 57.102 58.000 -0.148 0.000 0.915 173 F CB 1.499 40.429 39.000 -0.116 0.000 1.176 173 F HN 0.495 8.795 8.300 -0.000 0.000 0.440 174 H N 3.785 123.034 119.070 0.298 0.000 2.641 174 H HA 0.493 5.048 4.556 -0.001 0.000 0.295 174 H C -0.803 174.707 175.328 0.304 0.000 1.070 174 H CA -0.576 55.620 56.048 0.246 0.000 1.257 174 H CB 0.775 30.644 29.762 0.178 0.000 1.393 174 H HN 0.345 8.625 8.280 -0.000 0.000 0.464 175 L N 3.609 125.007 121.223 0.290 0.000 2.349 175 L HA 0.217 4.556 4.340 -0.001 0.000 0.275 175 L C 0.421 177.417 176.870 0.210 0.000 1.115 175 L CA -0.099 54.882 54.840 0.234 0.000 0.820 175 L CB 0.482 42.637 42.059 0.159 0.000 1.135 175 L HN 0.481 8.711 8.230 -0.000 0.000 0.445 176 K N 2.141 122.662 120.400 0.200 0.000 2.087 176 K HA 0.663 4.982 4.320 -0.001 0.000 0.255 176 K C -0.286 176.371 176.600 0.095 0.000 0.988 176 K CA -0.745 55.624 56.287 0.137 0.000 0.915 176 K CB 1.133 33.705 32.500 0.120 0.000 1.043 176 K HN 0.642 8.892 8.250 -0.000 0.000 0.457 177 A N 2.035 124.896 122.820 0.069 0.000 2.407 177 A HA 0.273 4.592 4.320 -0.001 0.000 0.248 177 A C 0.021 177.631 177.584 0.043 0.000 1.082 177 A CA -0.374 51.693 52.037 0.050 0.000 0.785 177 A CB -0.080 18.942 19.000 0.037 0.000 1.020 177 A HN 0.588 8.738 8.150 -0.000 0.000 0.489 178 L N 1.812 123.056 121.223 0.034 0.000 2.350 178 L HA 0.313 4.652 4.340 -0.001 0.000 0.275 178 L C 0.187 177.063 176.870 0.011 0.000 1.099 178 L CA -0.700 54.155 54.840 0.026 0.000 0.808 178 L CB 0.962 43.034 42.059 0.022 0.000 1.149 178 L HN 0.880 9.110 8.230 -0.000 0.000 0.442 179 D N 1.255 121.658 120.400 0.005 0.000 2.354 179 D HA 0.156 4.796 4.640 -0.001 0.000 0.247 179 D C 1.011 177.293 176.300 -0.031 0.000 1.138 179 D CA -0.717 53.277 54.000 -0.009 0.000 0.958 179 D CB 0.863 41.658 40.800 -0.008 0.000 1.144 179 D HN 0.146 8.516 8.370 -0.000 0.000 0.458 180 V N 0.509 120.399 119.914 -0.039 0.000 2.250 180 V HA -0.295 3.824 4.120 -0.001 0.000 0.250 180 V C 2.355 178.382 176.094 -0.111 0.000 1.060 180 V CA 2.184 64.448 62.300 -0.061 0.000 1.030 180 V CB -0.709 31.082 31.823 -0.053 0.000 0.643 180 V HN 0.617 8.807 8.190 -0.000 0.000 0.445 181 E N -0.136 119.981 120.200 -0.138 0.000 2.038 181 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 181 E C 2.347 178.755 176.600 -0.320 0.000 1.000 181 E CA 1.689 57.917 56.400 -0.287 0.000 0.803 181 E CB -0.343 29.232 29.700 -0.208 0.000 0.750 181 E HN 0.729 9.089 8.360 -0.000 0.000 0.448 182 Q N 0.068 119.801 119.800 -0.111 0.000 2.152 182 Q HA -0.145 4.194 4.340 -0.001 0.000 0.206 182 Q C 2.366 178.349 176.000 -0.029 0.000 0.985 182 Q CA 1.189 56.982 55.803 -0.017 0.000 0.863 182 Q CB -0.182 28.565 28.738 0.015 0.000 0.904 182 Q HN 0.338 8.608 8.270 -0.000 0.000 0.422 183 I N -0.038 120.497 120.570 -0.058 0.000 2.286 183 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 183 I C 2.611 178.686 176.117 -0.070 0.000 1.104 183 I CA 0.838 62.109 61.300 -0.048 0.000 1.397 183 I CB -0.237 37.737 38.000 -0.044 0.000 1.072 183 I HN 0.147 8.357 8.210 -0.000 0.000 0.417 184 R N 0.062 120.486 120.500 -0.126 0.000 2.075 184 R HA -0.168 4.171 4.340 -0.001 0.000 0.232 184 R C 2.455 178.717 176.300 -0.063 0.000 1.126 184 R CA 1.316 57.340 56.100 -0.127 0.000 0.963 184 R CB -0.169 30.021 30.300 -0.182 0.000 0.858 184 R HN 0.389 8.659 8.270 -0.000 0.000 0.435 185 H N -0.210 118.842 119.070 -0.029 0.000 2.387 185 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 185 H C 1.968 177.277 175.328 -0.031 0.000 1.090 185 H CA 1.473 57.505 56.048 -0.026 0.000 1.332 185 H CB -0.127 29.621 29.762 -0.024 0.000 1.386 185 H HN 0.212 8.492 8.280 -0.000 0.000 0.516 186 Q N 0.797 120.643 119.800 0.076 0.000 2.119 186 Q HA -0.030 4.309 4.340 -0.001 0.000 0.201 186 Q C 2.367 178.330 176.000 -0.063 0.000 0.972 186 Q CA 0.841 56.657 55.803 0.022 0.000 0.847 186 Q CB -0.296 28.443 28.738 0.003 0.000 0.903 186 Q HN 0.421 8.691 8.270 -0.000 0.000 0.433 187 L N -0.139 121.028 121.223 -0.093 0.000 2.056 187 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 187 L C 2.235 178.956 176.870 -0.248 0.000 1.078 187 L CA 1.502 56.234 54.840 -0.179 0.000 0.749 187 L CB -0.471 41.505 42.059 -0.138 0.000 0.901 187 L HN 0.305 8.535 8.230 -0.000 0.000 0.433 188 E N -0.684 119.424 120.200 -0.154 0.000 2.038 188 E HA -0.296 4.054 4.350 -0.001 0.000 0.195 188 E C 2.032 178.521 176.600 -0.185 0.000 1.000 188 E CA 1.595 57.886 56.400 -0.181 0.000 0.803 188 E CB -0.249 29.462 29.700 0.018 0.000 0.750 188 E HN 0.449 8.809 8.360 -0.000 0.000 0.448 189 H N 0.932 119.892 119.070 -0.183 0.000 2.265 189 H HA -0.156 4.399 4.556 -0.001 0.000 0.295 189 H C 1.957 177.073 175.328 -0.353 0.000 1.084 189 H CA 2.156 58.088 56.048 -0.194 0.000 1.261 189 H CB -0.371 29.304 29.762 -0.146 0.000 1.360 189 H HN 0.088 8.368 8.280 -0.000 0.000 0.487 190 I N -0.089 120.054 120.570 -0.712 0.000 2.208 190 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 190 I C 2.418 178.090 176.117 -0.742 0.000 1.097 190 I CA 1.320 61.916 61.300 -1.173 0.000 1.363 190 I CB -0.275 36.980 38.000 -1.241 0.000 1.051 190 I HN 0.292 8.502 8.210 -0.000 0.000 0.413 191 L N 0.218 121.121 121.223 -0.534 0.000 2.141 191 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 191 L C 2.254 178.982 176.870 -0.236 0.000 1.094 191 L CA 1.005 55.607 54.840 -0.397 0.000 0.763 191 L CB -0.744 40.962 42.059 -0.589 0.000 0.908 191 L HN 0.339 8.569 8.230 -0.000 0.000 0.437 192 N N 0.009 118.575 118.700 -0.223 0.000 2.142 192 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 192 N C 1.853 177.280 175.510 -0.138 0.000 1.023 192 N CA 1.075 54.105 53.050 -0.033 0.000 0.852 192 N CB -0.075 38.413 38.487 0.003 0.000 0.998 192 N HN 0.209 8.589 8.380 -0.000 0.000 0.424 193 E N 1.173 121.200 120.200 -0.287 0.000 2.110 193 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 193 E C 1.370 177.672 176.600 -0.496 0.000 0.988 193 E CA 0.914 57.143 56.400 -0.286 0.000 0.804 193 E CB -0.012 29.611 29.700 -0.128 0.000 0.745 193 E HN 0.249 8.609 8.360 -0.000 0.000 0.458 194 E N -0.358 119.640 120.200 -0.337 0.000 2.427 194 E HA -0.068 4.282 4.350 -0.001 0.000 0.196 194 E C -0.119 176.342 176.600 -0.232 0.000 1.028 194 E CA 0.462 56.724 56.400 -0.231 0.000 0.864 194 E CB -0.006 29.648 29.700 -0.076 0.000 0.813 194 E HN 0.362 8.722 8.360 -0.000 0.000 0.514 195 H N -1.203 117.889 119.070 0.037 0.000 2.903 195 H HA -0.163 4.393 4.556 -0.001 0.000 0.285 195 H C -0.091 175.271 175.328 0.056 0.000 1.231 195 H CA 0.594 56.670 56.048 0.047 0.000 1.135 195 H CB -2.547 27.238 29.762 0.038 0.000 1.328 195 H HN 0.189 8.469 8.280 -0.000 0.000 0.388 196 I N 0.587 121.235 120.570 0.131 0.000 2.331 196 I HA 0.411 4.580 4.170 -0.001 0.000 0.292 196 I C 1.106 177.349 176.117 0.210 0.000 0.998 196 I CA -0.435 60.939 61.300 0.124 0.000 1.267 196 I CB 1.444 39.481 38.000 0.063 0.000 1.386 196 I HN 0.323 8.533 8.210 -0.000 0.000 0.476 197 A N 7.619 130.509 122.820 0.116 0.000 2.520 197 A HA 0.267 4.587 4.320 -0.001 0.000 0.245 197 A C -0.183 177.448 177.584 0.078 0.000 1.072 197 A CA 0.245 52.303 52.037 0.034 0.000 0.761 197 A CB -0.206 18.791 19.000 -0.005 0.000 1.004 197 A HN 0.855 9.005 8.150 -0.000 0.000 0.499 198 H N 0.568 119.636 119.070 -0.004 0.000 3.012 198 H HA 0.600 5.155 4.556 -0.001 0.000 0.367 198 H C -1.375 173.949 175.328 -0.006 0.000 1.211 198 H CA -0.932 55.110 56.048 -0.010 0.000 1.139 198 H CB 0.990 30.739 29.762 -0.021 0.000 1.838 198 H HN 0.637 8.916 8.280 -0.000 0.000 0.550 199 E N 1.936 122.171 120.200 0.058 0.000 2.191 199 E HA 0.215 4.565 4.350 -0.001 0.000 0.274 199 E C -1.937 174.704 176.600 0.068 0.000 0.948 199 E CA -2.048 54.364 56.400 0.019 0.000 0.802 199 E CB 2.280 31.985 29.700 0.009 0.000 1.137 199 E HN 0.337 8.697 8.360 -0.000 0.000 0.397 200 P HA -0.218 4.202 4.420 -0.000 0.000 0.214 200 P C 1.284 178.606 177.300 0.037 0.000 1.163 200 P CA 1.093 64.228 63.100 0.058 0.000 0.889 200 P CB 0.252 31.976 31.700 0.038 0.000 0.790 201 R N -0.472 120.042 120.500 0.023 0.000 2.096 201 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 201 R C 2.116 178.423 176.300 0.012 0.000 1.127 201 R CA 1.746 57.854 56.100 0.013 0.000 0.968 201 R CB -1.174 29.132 30.300 0.009 0.000 0.861 201 R HN 0.113 8.383 8.270 -0.000 0.000 0.440 202 A N 1.137 123.969 122.820 0.020 0.000 1.908 202 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 202 A C 2.344 179.935 177.584 0.010 0.000 1.181 202 A CA 1.210 53.258 52.037 0.018 0.000 0.627 202 A CB -0.546 18.471 19.000 0.029 0.000 0.818 202 A HN 0.261 8.411 8.150 -0.000 0.000 0.445 203 L N -0.185 121.048 121.223 0.017 0.000 2.056 203 L HA -0.251 4.088 4.340 -0.001 0.000 0.207 203 L C 2.984 179.842 176.870 -0.021 0.000 1.078 203 L CA 1.728 56.564 54.840 -0.007 0.000 0.749 203 L CB -0.883 41.174 42.059 -0.004 0.000 0.901 203 L HN 0.725 8.955 8.230 -0.000 0.000 0.433 204 Q N 0.252 120.043 119.800 -0.015 0.000 2.224 204 Q HA -0.151 4.188 4.340 -0.001 0.000 0.203 204 Q C 2.147 178.135 176.000 -0.021 0.000 0.970 204 Q CA 1.207 56.994 55.803 -0.027 0.000 0.865 204 Q CB -0.274 28.450 28.738 -0.023 0.000 0.922 204 Q HN 0.505 8.775 8.270 -0.000 0.000 0.445 205 L N 0.428 121.643 121.223 -0.013 0.000 2.044 205 L HA -0.123 4.217 4.340 -0.001 0.000 0.205 205 L C 2.468 179.330 176.870 -0.013 0.000 1.075 205 L CA 0.862 55.696 54.840 -0.010 0.000 0.747 205 L CB -0.328 41.728 42.059 -0.004 0.000 0.903 205 L HN 0.233 8.463 8.230 -0.000 0.000 0.435 206 L N -0.424 120.790 121.223 -0.015 0.000 2.046 206 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 206 L C 2.866 179.722 176.870 -0.024 0.000 1.077 206 L CA 1.172 56.000 54.840 -0.019 0.000 0.747 206 L CB -0.693 41.351 42.059 -0.024 0.000 0.896 206 L HN 0.244 8.474 8.230 -0.000 0.000 0.432 207 A N -0.105 122.696 122.820 -0.031 0.000 1.902 207 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 207 A C 2.453 180.020 177.584 -0.028 0.000 1.181 207 A CA 1.802 53.816 52.037 -0.037 0.000 0.623 207 A CB -0.570 18.398 19.000 -0.054 0.000 0.818 207 A HN 0.335 8.485 8.150 -0.000 0.000 0.443 208 R N -0.511 119.975 120.500 -0.024 0.000 2.075 208 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 208 R C 2.263 178.556 176.300 -0.011 0.000 1.126 208 R CA 1.271 57.360 56.100 -0.017 0.000 0.963 208 R CB -0.370 29.922 30.300 -0.015 0.000 0.858 208 R HN 0.439 8.709 8.270 -0.000 0.000 0.435 209 A N 0.586 123.400 122.820 -0.010 0.000 2.070 209 A HA -0.058 4.261 4.320 -0.001 0.000 0.220 209 A C 2.175 179.757 177.584 -0.004 0.000 1.159 209 A CA 1.454 53.488 52.037 -0.006 0.000 0.656 209 A CB -0.468 18.529 19.000 -0.005 0.000 0.800 209 A HN 0.507 8.657 8.150 -0.000 0.000 0.453 210 A N -1.215 121.601 122.820 -0.007 0.000 2.121 210 A HA 0.161 4.480 4.320 -0.001 0.000 0.218 210 A C 0.923 178.507 177.584 0.001 0.000 1.154 210 A CA 1.265 53.300 52.037 -0.003 0.000 0.679 210 A CB -0.313 18.682 19.000 -0.008 0.000 0.795 210 A HN 0.504 8.654 8.150 -0.000 0.000 0.458 211 E N -2.926 117.273 120.200 -0.000 0.000 2.297 211 E HA -0.203 4.146 4.350 -0.001 0.000 0.228 211 E C 0.982 177.586 176.600 0.007 0.000 1.213 211 E CA 1.533 57.936 56.400 0.004 0.000 0.712 211 E CB -1.808 27.896 29.700 0.007 0.000 1.202 211 E HN 1.488 9.848 8.360 -0.000 0.000 0.376 212 G N -1.207 107.596 108.800 0.004 0.000 2.253 212 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.251 212 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.251 212 G C 0.367 175.276 174.900 0.015 0.000 0.998 212 G CA 0.464 45.570 45.100 0.010 0.000 0.621 212 G HN 1.009 9.299 8.290 -0.000 0.000 0.524 213 S N 0.352 116.061 115.700 0.014 0.000 2.465 213 S HA 0.539 5.008 4.470 -0.001 0.000 0.279 213 S C 1.329 175.936 174.600 0.012 0.000 1.201 213 S CA -0.020 58.190 58.200 0.018 0.000 1.053 213 S CB 1.096 64.308 63.200 0.019 0.000 0.953 213 S HN 0.838 9.148 8.310 -0.000 0.000 0.488 214 L N 6.041 127.273 121.223 0.015 0.000 2.240 214 L HA 0.238 4.577 4.340 -0.001 0.000 0.211 214 L C 2.317 179.195 176.870 0.012 0.000 1.106 214 L CA 1.563 56.409 54.840 0.010 0.000 0.793 214 L CB -0.786 41.283 42.059 0.017 0.000 0.927 214 L HN 0.839 9.069 8.230 -0.000 0.000 0.446 215 R N -0.593 119.919 120.500 0.020 0.000 2.066 215 R HA -0.142 4.197 4.340 -0.001 0.000 0.232 215 R C 1.810 178.120 176.300 0.016 0.000 1.131 215 R CA 1.804 57.918 56.100 0.023 0.000 0.955 215 R CB -0.268 30.048 30.300 0.026 0.000 0.851 215 R HN 0.300 8.570 8.270 -0.000 0.000 0.432 216 D N 0.369 120.777 120.400 0.013 0.000 2.178 216 D HA -0.096 4.544 4.640 -0.001 0.000 0.202 216 D C 1.745 178.045 176.300 0.001 0.000 0.974 216 D CA 1.423 55.428 54.000 0.009 0.000 0.841 216 D CB -0.229 40.577 40.800 0.010 0.000 0.953 216 D HN 0.429 8.799 8.370 -0.000 0.000 0.478 217 A N 0.813 123.630 122.820 -0.004 0.000 1.883 217 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 217 A C 2.389 179.959 177.584 -0.024 0.000 1.186 217 A CA 1.004 53.031 52.037 -0.017 0.000 0.624 217 A CB -0.792 18.194 19.000 -0.024 0.000 0.822 217 A HN 0.213 8.363 8.150 -0.000 0.000 0.444 218 L N -0.708 120.504 121.223 -0.018 0.000 2.093 218 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 218 L C 2.937 179.803 176.870 -0.007 0.000 1.085 218 L CA 1.405 56.232 54.840 -0.022 0.000 0.755 218 L CB -0.464 41.595 42.059 -0.001 0.000 0.904 218 L HN 0.541 8.771 8.230 -0.000 0.000 0.435 219 S N 0.375 116.077 115.700 0.004 0.000 2.356 219 S HA -0.159 4.311 4.470 -0.001 0.000 0.223 219 S C 2.021 176.622 174.600 0.002 0.000 1.032 219 S CA 1.180 59.385 58.200 0.008 0.000 1.005 219 S CB -0.212 62.995 63.200 0.012 0.000 0.867 219 S HN 0.326 8.636 8.310 -0.000 0.000 0.449 220 L N 0.746 121.967 121.223 -0.003 0.000 2.131 220 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 220 L C 2.749 179.613 176.870 -0.010 0.000 1.092 220 L CA 1.533 56.369 54.840 -0.005 0.000 0.759 220 L CB -0.997 41.057 42.059 -0.007 0.000 0.903 220 L HN 0.386 8.616 8.230 -0.000 0.000 0.435 221 T N -1.368 113.174 114.554 -0.020 0.000 2.777 221 T HA -0.173 4.176 4.350 -0.001 0.000 0.266 221 T C 1.522 176.211 174.700 -0.018 0.000 1.040 221 T CA 1.190 63.272 62.100 -0.030 0.000 1.141 221 T CB -0.190 68.642 68.868 -0.060 0.000 0.868 221 T HN 0.273 8.513 8.240 -0.000 0.000 0.444 222 D N 0.922 121.316 120.400 -0.010 0.000 2.104 222 D HA -0.127 4.512 4.640 -0.001 0.000 0.194 222 D C 2.216 178.519 176.300 0.005 0.000 0.994 222 D CA 1.142 55.144 54.000 0.003 0.000 0.830 222 D CB -0.262 40.546 40.800 0.013 0.000 0.959 222 D HN 0.463 8.833 8.370 -0.000 0.000 0.452 223 Q N 0.098 119.900 119.800 0.004 0.000 2.084 223 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 223 Q C 2.011 178.013 176.000 0.005 0.000 0.978 223 Q CA 1.523 57.329 55.803 0.005 0.000 0.844 223 Q CB -0.038 28.703 28.738 0.005 0.000 0.898 223 Q HN 0.191 8.461 8.270 -0.000 0.000 0.426 224 A N 0.670 123.491 122.820 0.002 0.000 1.933 224 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 224 A C 1.950 179.538 177.584 0.007 0.000 1.175 224 A CA 1.165 53.204 52.037 0.004 0.000 0.628 224 A CB -0.528 18.473 19.000 0.001 0.000 0.814 224 A HN 0.475 8.624 8.150 -0.000 0.000 0.444 225 I N -0.543 120.031 120.570 0.006 0.000 2.193 225 I HA -0.223 3.946 4.170 -0.001 0.000 0.240 225 I C 2.989 179.114 176.117 0.013 0.000 1.084 225 I CA 1.050 62.357 61.300 0.011 0.000 1.365 225 I CB -0.410 37.596 38.000 0.010 0.000 1.064 225 I HN 0.348 8.558 8.210 -0.000 0.000 0.410 226 A N -0.275 122.552 122.820 0.012 0.000 1.933 226 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 226 A C 2.430 180.020 177.584 0.011 0.000 1.175 226 A CA 2.070 54.114 52.037 0.012 0.000 0.628 226 A CB -0.560 18.447 19.000 0.012 0.000 0.814 226 A HN 0.360 8.510 8.150 -0.000 0.000 0.444 227 S N -1.119 114.587 115.700 0.009 0.000 2.470 227 S HA 0.133 4.602 4.470 -0.001 0.000 0.225 227 S C 1.453 176.058 174.600 0.009 0.000 1.006 227 S CA 0.580 58.785 58.200 0.008 0.000 0.934 227 S CB 0.032 63.236 63.200 0.007 0.000 0.778 227 S HN 0.696 9.006 8.310 -0.000 0.000 0.517 228 G N 1.158 109.964 108.800 0.010 0.000 3.949 228 G HA2 0.375 4.335 3.960 -0.001 0.000 0.295 228 G HA3 0.375 4.335 3.960 -0.001 0.000 0.295 228 G C -0.784 174.123 174.900 0.012 0.000 1.286 228 G CA -0.576 44.530 45.100 0.011 0.000 1.171 228 G HN 0.298 8.588 8.290 -0.000 0.000 0.586 229 D N -0.703 119.703 120.400 0.011 0.000 2.689 229 D HA -0.141 4.498 4.640 -0.001 0.000 0.237 229 D C 1.533 177.842 176.300 0.015 0.000 1.148 229 D CA 1.548 55.555 54.000 0.012 0.000 0.656 229 D CB -1.298 39.507 40.800 0.010 0.000 1.050 229 D HN 0.960 9.330 8.370 -0.000 0.000 0.426 230 G N -0.393 108.418 108.800 0.017 0.000 2.283 230 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.280 230 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.280 230 G C 0.064 174.980 174.900 0.027 0.000 1.029 230 G CA 0.778 45.891 45.100 0.022 0.000 0.840 230 G HN 0.757 9.047 8.290 -0.000 0.000 0.505 231 Q N -1.227 118.588 119.800 0.025 0.000 2.377 231 Q HA 0.552 4.892 4.340 -0.001 0.000 0.279 231 Q C -1.062 174.957 176.000 0.032 0.000 1.049 231 Q CA -0.888 54.934 55.803 0.031 0.000 0.825 231 Q CB 2.295 31.046 28.738 0.021 0.000 1.401 231 Q HN 0.306 8.576 8.270 -0.000 0.000 0.404 232 V N 3.337 123.281 119.914 0.050 0.000 2.259 232 V HA 0.299 4.418 4.120 -0.001 0.000 0.267 232 V C -0.235 175.887 176.094 0.047 0.000 1.051 232 V CA -0.344 61.984 62.300 0.048 0.000 0.830 232 V CB 0.356 32.215 31.823 0.059 0.000 1.080 232 V HN 0.693 8.883 8.190 -0.000 0.000 0.467 233 S N 1.990 117.706 115.700 0.027 0.000 2.565 233 S HA 0.338 4.807 4.470 -0.001 0.000 0.290 233 S C 1.136 175.745 174.600 0.015 0.000 1.150 233 S CA -0.283 57.928 58.200 0.018 0.000 1.058 233 S CB 1.700 64.906 63.200 0.010 0.000 1.032 233 S HN 0.487 8.797 8.310 -0.000 0.000 0.510 234 T N 1.787 116.349 114.554 0.012 0.000 2.665 234 T HA -0.225 4.125 4.350 -0.001 0.000 0.268 234 T C 1.791 176.494 174.700 0.006 0.000 1.035 234 T CA 2.153 64.259 62.100 0.009 0.000 1.151 234 T CB -0.502 68.371 68.868 0.007 0.000 0.862 234 T HN 0.818 9.058 8.240 -0.000 0.000 0.438 235 Q N 0.306 120.109 119.800 0.005 0.000 2.079 235 Q HA -0.060 4.280 4.340 -0.001 0.000 0.200 235 Q C 2.425 178.428 176.000 0.004 0.000 0.974 235 Q CA 1.412 57.218 55.803 0.004 0.000 0.840 235 Q CB -0.252 28.488 28.738 0.003 0.000 0.898 235 Q HN 0.553 8.823 8.270 -0.000 0.000 0.430 236 A N -0.212 122.611 122.820 0.006 0.000 1.872 236 A HA -0.092 4.227 4.320 -0.001 0.000 0.214 236 A C 2.211 179.798 177.584 0.005 0.000 1.187 236 A CA 1.291 53.332 52.037 0.006 0.000 0.614 236 A CB -0.782 18.223 19.000 0.007 0.000 0.826 236 A HN 0.286 8.436 8.150 -0.000 0.000 0.442 237 V N -0.196 119.722 119.914 0.006 0.000 2.324 237 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 237 V C 2.810 178.906 176.094 0.003 0.000 1.060 237 V CA 2.413 64.715 62.300 0.005 0.000 1.042 237 V CB -0.855 30.971 31.823 0.005 0.000 0.650 237 V HN 0.564 8.754 8.190 -0.000 0.000 0.450 238 S N -0.550 115.151 115.700 0.003 0.000 2.356 238 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 238 S C 2.163 176.764 174.600 0.002 0.000 1.032 238 S CA 1.464 59.665 58.200 0.002 0.000 1.005 238 S CB -0.386 62.816 63.200 0.002 0.000 0.867 238 S HN 0.663 8.973 8.310 -0.000 0.000 0.449 239 A N 0.918 123.739 122.820 0.003 0.000 1.969 239 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 239 A C 2.075 179.661 177.584 0.003 0.000 1.169 239 A CA 1.440 53.478 52.037 0.003 0.000 0.635 239 A CB -0.518 18.484 19.000 0.003 0.000 0.810 239 A HN 0.588 8.738 8.150 -0.000 0.000 0.445 240 M N -0.800 118.802 119.600 0.003 0.000 2.319 240 M HA 0.016 4.496 4.480 -0.001 0.000 0.265 240 M C 1.336 177.637 176.300 0.003 0.000 1.068 240 M CA 1.406 56.708 55.300 0.003 0.000 1.118 240 M CB -0.112 32.490 32.600 0.003 0.000 1.395 240 M HN 0.401 8.691 8.290 -0.000 0.000 0.435 241 L N -1.336 119.889 121.223 0.002 0.000 2.463 241 L HA 0.250 4.590 4.340 -0.001 0.000 0.219 241 L C 1.728 178.600 176.870 0.002 0.000 1.088 241 L CA 0.588 55.429 54.840 0.002 0.000 0.849 241 L CB -0.179 41.880 42.059 0.001 0.000 1.012 241 L HN 0.591 8.821 8.230 -0.000 0.000 0.468 242 G N -0.041 108.760 108.800 0.002 0.000 2.284 242 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.247 242 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.247 242 G C 0.472 175.373 174.900 0.002 0.000 1.012 242 G CA 0.476 45.577 45.100 0.002 0.000 0.618 242 G HN 0.305 8.595 8.290 -0.000 0.000 0.521 243 T N 0.000 114.555 114.554 0.001 0.000 3.816 243 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 243 T CA 0.000 62.100 62.100 0.001 0.000 1.349 243 T CB 0.000 68.868 68.868 0.000 0.000 0.612 243 T HN 0.000 8.240 8.240 -0.000 0.000 0.658