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 1o7j_1_A DATA FIRST_RESID 3 DATA SEQUENCE KLPNIVILAT GGTIAGSAAT GTQTTGYKAG ALGVDTLINA VPEVKKLANV DATA SEQUENCE KGEQFSNMAS ENMTGDVVLK LSQRVNELLA RDDVDGVVIT HGTDTVEESA DATA SEQUENCE YFLHLTVKSD KPVVFVAAMR PATAISADGP MNLLEAVRVA GDKQSRGRGV DATA SEQUENCE MVVINDRIGS ARYITKTNAS TLDTFRANEE GYLGVIIGNR IYYQNRIDKL DATA SEQUENCE HTTRSVFDVR GLTSLPKVDI LYGYQDDPEY LYDAAIQHGV KGIVYAGMGA DATA SEQUENCE GSVSVRGIAG MRKALEKGVV VMRSTRTGNG IVPPDEELPG LVSDSLNPAH DATA SEQUENCE ARILLMLALT RTSDPKVIQE YFHTY 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 3 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 3 K C 0.000 176.598 176.600 -0.003 0.000 0.988 3 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 3 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 4 L N 2.264 123.485 121.223 -0.003 0.000 2.417 4 L HA 0.252 4.590 4.340 -0.004 0.000 0.268 4 L C -1.231 175.637 176.870 -0.003 0.000 1.158 4 L CA -1.432 53.406 54.840 -0.004 0.000 0.819 4 L CB 0.354 42.410 42.059 -0.004 0.000 1.112 4 L HN 0.149 8.377 8.230 -0.003 0.000 0.458 5 P HA 0.143 4.692 4.420 -0.003 -0.131 0.272 5 P C -1.590 175.708 177.300 -0.004 0.000 1.223 5 P CA -0.897 62.201 63.100 -0.003 0.000 0.784 5 P CB 1.099 32.798 31.700 -0.002 0.000 0.923 6 N N 1.252 119.949 118.700 -0.005 0.000 2.439 6 N HA 0.424 5.330 4.740 -0.006 -0.169 0.249 6 N C -1.168 174.337 175.510 -0.008 0.000 1.003 6 N CA -0.469 52.578 53.050 -0.006 0.000 0.942 6 N CB 1.415 39.899 38.487 -0.005 0.000 1.115 6 N HN 0.164 8.901 8.380 -0.004 -0.360 0.505 7 I N 4.901 125.465 120.570 -0.010 0.000 2.436 7 I HA 0.523 4.876 4.170 -0.017 -0.193 0.289 7 I C -1.231 174.876 176.117 -0.018 0.000 1.010 7 I CA -2.542 58.748 61.300 -0.015 0.000 1.098 7 I CB 2.148 40.139 38.000 -0.016 0.000 1.266 7 I HN 0.564 8.768 8.210 -0.009 0.000 0.434 8 V N 7.305 127.205 119.914 -0.024 0.000 2.465 8 V HA 0.311 4.589 4.120 -0.018 -0.169 0.279 8 V C -0.735 175.337 176.094 -0.038 0.000 1.045 8 V CA -1.207 61.078 62.300 -0.025 0.000 0.938 8 V CB 0.678 32.487 31.823 -0.023 0.000 0.986 8 V HN -0.100 8.074 8.190 -0.026 0.000 0.467 9 I N 7.483 128.035 120.570 -0.030 0.000 2.306 9 I HA 0.248 4.581 4.170 -0.054 -0.196 0.288 9 I C -1.724 174.375 176.117 -0.030 0.000 1.036 9 I CA -0.946 60.332 61.300 -0.036 0.000 1.221 9 I CB 0.553 38.539 38.000 -0.023 0.000 1.385 9 I HN 0.497 8.695 8.210 -0.020 0.000 0.472 10 L N 9.134 130.322 121.223 -0.058 0.000 2.264 10 L HA 0.658 5.171 4.340 -0.000 -0.173 0.287 10 L C -2.335 174.516 176.870 -0.031 0.000 1.039 10 L CA -1.885 52.929 54.840 -0.044 0.000 0.829 10 L CB 2.308 44.304 42.059 -0.106 0.000 1.211 10 L HN 0.536 8.713 8.230 -0.088 0.000 0.427 11 A N 6.766 129.609 122.820 0.039 0.000 2.301 11 A HA 0.980 5.320 4.320 0.034 0.000 0.312 11 A C -0.494 177.164 177.584 0.123 0.000 1.182 11 A CA -1.759 50.312 52.037 0.057 0.000 0.826 11 A CB 2.841 21.870 19.000 0.049 0.000 1.134 11 A HN 0.681 8.866 8.150 0.059 0.000 0.501 12 T N -2.171 112.448 114.554 0.109 0.000 3.004 12 T HA 0.319 4.908 4.350 0.256 -0.085 0.266 12 T C 0.304 175.038 174.700 0.057 0.000 0.986 12 T CA -1.486 60.704 62.100 0.150 0.000 0.902 12 T CB 2.303 71.252 68.868 0.136 0.000 1.118 12 T HN 0.139 8.427 8.240 0.081 0.000 0.522 13 G N 1.505 110.326 108.800 0.035 0.000 2.301 13 G HA2 -0.232 4.001 3.960 -0.002 0.000 0.194 13 G HA3 -0.232 3.983 3.960 0.029 -0.237 0.194 13 G C -1.738 173.175 174.900 0.022 0.000 1.266 13 G CA -0.583 44.527 45.100 0.016 0.000 1.210 13 G HN -0.653 7.667 8.290 0.050 0.000 0.524 14 G N -0.737 108.075 108.800 0.020 0.000 2.707 14 G HA2 -0.289 3.770 3.960 0.071 0.000 0.686 14 G HA3 -0.289 3.705 3.960 0.057 0.000 0.686 14 G C 0.897 175.862 174.900 0.108 0.000 1.315 14 G CA -0.394 44.744 45.100 0.062 0.000 0.832 14 G HN -0.243 8.052 8.290 0.008 0.000 0.573 15 T N 1.818 116.467 114.554 0.158 0.000 2.849 15 T HA -0.353 4.159 4.350 0.271 0.000 0.270 15 T C 2.198 176.940 174.700 0.070 0.000 1.066 15 T CA 4.280 66.493 62.100 0.188 0.000 1.130 15 T CB -0.253 68.760 68.868 0.242 0.000 0.864 15 T HN 0.421 8.758 8.240 0.161 0.000 0.481 16 I N -0.150 120.461 120.570 0.068 0.000 2.423 16 I HA -0.345 3.837 4.170 0.019 0.000 0.254 16 I C 0.064 176.197 176.117 0.027 0.000 1.151 16 I CA 2.427 63.749 61.300 0.038 0.000 1.421 16 I CB -0.034 37.997 38.000 0.051 0.000 1.079 16 I HN 0.024 8.265 8.210 0.091 0.023 0.431 17 A N -3.116 119.730 122.820 0.043 0.000 2.545 17 A HA 0.185 4.520 4.320 0.026 0.000 0.277 17 A C -1.048 176.565 177.584 0.049 0.000 1.301 17 A CA -1.381 50.678 52.037 0.038 0.000 0.935 17 A CB 0.821 19.845 19.000 0.039 0.000 1.093 17 A HN -0.560 7.482 8.150 0.058 0.142 0.519 18 G N -1.638 107.196 108.800 0.057 0.000 2.389 18 G HA2 0.132 4.193 3.960 0.170 0.000 0.317 18 G HA3 0.132 4.304 3.960 0.121 -0.139 0.317 18 G C -1.443 173.481 174.900 0.039 0.000 1.137 18 G CA -0.173 44.988 45.100 0.101 0.000 0.870 18 G HN -0.454 7.679 8.290 0.039 0.180 0.496 19 S N 1.128 116.874 115.700 0.078 0.000 2.482 19 S HA 0.581 5.051 4.470 0.001 0.000 0.303 19 S C -0.027 174.627 174.600 0.089 0.000 1.091 19 S CA -0.408 57.820 58.200 0.047 0.000 1.057 19 S CB 0.538 63.761 63.200 0.039 0.000 1.031 19 S HN 0.041 nan 8.310 nan 0.000 0.485 20 A N 4.020 126.870 122.820 0.050 0.000 2.435 20 A HA 0.760 5.141 4.320 0.102 0.000 0.296 20 A C -1.359 176.247 177.584 0.038 0.000 1.147 20 A CA -0.695 51.386 52.037 0.074 0.000 0.775 20 A CB 2.071 21.124 19.000 0.089 0.000 1.340 20 A HN 0.266 nan 8.150 nan 0.000 0.427 21 A N -1.905 120.939 122.820 0.040 0.000 2.014 21 A HA -0.092 4.241 4.320 0.022 0.000 0.218 21 A C -0.264 177.330 177.584 0.017 0.000 1.163 21 A CA 1.521 53.574 52.037 0.026 0.000 0.652 21 A CB 0.599 19.614 19.000 0.025 0.000 0.808 21 A HN 0.561 8.742 8.150 0.052 0.000 0.449 22 T N -6.012 108.553 114.554 0.018 0.000 2.865 22 T HA 0.145 4.498 4.350 0.006 0.000 0.294 22 T C 0.822 175.523 174.700 0.001 0.000 1.119 22 T CA -1.774 60.332 62.100 0.009 0.000 1.007 22 T CB 2.550 71.425 68.868 0.011 0.000 1.225 22 T HN -0.838 7.390 8.240 0.025 0.028 0.515 23 G N 0.043 108.840 108.800 -0.005 0.000 2.534 23 G HA2 -0.085 3.867 3.960 -0.013 0.000 0.217 23 G HA3 -0.085 4.061 3.960 -0.021 -0.200 0.217 23 G C 0.249 175.141 174.900 -0.014 0.000 1.128 23 G CA 1.802 46.893 45.100 -0.014 0.000 0.784 23 G HN 0.440 8.729 8.290 -0.002 0.000 0.542 24 T N -1.545 113.007 114.554 -0.003 0.000 3.065 24 T HA -0.119 4.229 4.350 -0.004 0.000 0.252 24 T C 0.095 174.801 174.700 0.009 0.000 1.099 24 T CA 0.318 62.418 62.100 0.001 0.000 1.063 24 T CB 0.364 69.235 68.868 0.005 0.000 0.948 24 T HN -0.756 7.435 8.240 0.001 0.050 0.506 25 Q N 2.676 122.486 119.800 0.017 0.000 2.296 25 Q HA -0.068 nan 4.340 nan 0.000 0.263 25 Q C -0.202 175.819 176.000 0.035 0.000 1.026 25 Q CA 0.571 56.403 55.803 0.048 0.000 0.912 25 Q CB 0.428 29.211 28.738 0.075 0.000 1.198 25 Q HN -0.739 7.503 8.270 0.012 0.035 0.407 26 T N 2.943 117.538 114.554 0.069 0.000 3.043 26 T HA 0.181 4.479 4.350 -0.087 0.000 0.272 26 T C -0.670 174.182 174.700 0.253 0.000 0.990 26 T CA -0.837 61.289 62.100 0.042 0.000 0.897 26 T CB 1.123 69.998 68.868 0.012 0.000 1.111 26 T HN 0.080 8.369 8.240 0.082 0.000 0.529 27 T N -1.999 112.726 114.554 0.286 0.000 2.900 27 T HA 0.078 4.638 4.350 0.351 0.000 0.295 27 T C -0.218 174.587 174.700 0.175 0.000 1.044 27 T CA -0.751 61.497 62.100 0.248 0.000 0.995 27 T CB 2.412 71.344 68.868 0.106 0.000 1.072 27 T HN -0.953 7.416 8.240 0.215 0.000 0.473 28 G N -0.383 108.362 108.800 -0.091 0.000 2.147 28 G HA2 -0.327 3.611 3.960 -0.037 0.000 0.244 28 G HA3 -0.327 3.519 3.960 -0.190 0.000 0.244 28 G C -1.395 173.440 174.900 -0.107 0.000 1.005 28 G CA 0.749 45.773 45.100 -0.126 0.000 0.713 28 G HN 0.599 8.753 8.290 -0.227 0.000 0.515 29 Y N -5.020 115.282 120.300 0.003 0.000 2.496 29 Y HA 0.026 4.577 4.550 0.003 0.000 0.325 29 Y C -1.542 174.360 175.900 0.004 0.000 1.271 29 Y CA -3.261 54.842 58.100 0.004 0.000 1.368 29 Y CB 1.232 39.696 38.460 0.007 0.000 1.415 29 Y HN -0.885 6.948 8.280 -0.745 0.000 0.527 30 K N 1.699 122.177 120.400 0.130 0.000 2.268 30 K HA 0.185 4.485 4.320 -0.033 0.000 0.276 30 K C -1.477 175.215 176.600 0.153 0.000 1.080 30 K CA -1.448 54.878 56.287 0.064 0.000 0.910 30 K CB 0.237 32.770 32.500 0.054 0.000 1.163 30 K HN -0.197 8.192 8.250 0.232 0.000 0.465 31 A N 5.514 128.390 122.820 0.093 0.000 2.371 31 A HA -0.089 4.376 4.320 0.241 0.000 0.257 31 A C -0.095 177.536 177.584 0.079 0.000 1.089 31 A CA 0.405 52.530 52.037 0.147 0.000 0.794 31 A CB 0.417 19.485 19.000 0.113 0.000 1.029 31 A HN 0.423 8.574 8.150 0.002 0.000 0.488 32 G N 0.479 109.320 108.800 0.069 0.000 2.291 32 G HA2 -0.352 3.625 3.960 0.028 0.000 0.271 32 G HA3 -0.352 3.736 3.960 0.040 -0.104 0.271 32 G C -0.675 174.246 174.900 0.035 0.000 1.099 32 G CA 0.442 45.566 45.100 0.041 0.000 0.919 32 G HN -0.156 8.185 8.290 0.085 0.000 0.496 33 A N 0.471 123.317 122.820 0.043 0.000 1.993 33 A HA 0.154 4.490 4.320 0.026 0.000 0.207 33 A C -0.328 177.271 177.584 0.025 0.000 1.224 33 A CA 0.444 52.500 52.037 0.033 0.000 0.749 33 A CB 1.383 20.408 19.000 0.042 0.000 0.884 33 A HN -0.246 7.937 8.150 0.055 0.000 0.467 34 L N -0.347 120.892 121.223 0.026 0.000 2.371 34 L HA -0.047 4.303 4.340 0.016 0.000 0.272 34 L C 0.382 177.263 176.870 0.018 0.000 1.124 34 L CA -0.618 54.234 54.840 0.019 0.000 0.816 34 L CB 0.773 42.842 42.059 0.017 0.000 1.129 34 L HN -0.486 7.763 8.230 0.031 0.000 0.448 35 G N -0.149 108.660 108.800 0.014 0.000 2.539 35 G HA2 0.100 4.067 3.960 0.011 0.000 0.258 35 G HA3 0.100 4.195 3.960 0.016 -0.125 0.258 35 G C -0.017 174.892 174.900 0.014 0.000 1.202 35 G CA -1.195 43.913 45.100 0.014 0.000 0.851 35 G HN -0.243 8.054 8.290 0.012 0.000 0.556 36 V N 1.358 121.282 119.914 0.017 0.000 2.324 36 V HA -0.350 3.779 4.120 0.015 0.000 0.250 36 V C 0.966 177.066 176.094 0.009 0.000 1.060 36 V CA 3.151 65.460 62.300 0.015 0.000 1.042 36 V CB 0.085 31.919 31.823 0.018 0.000 0.650 36 V HN -0.022 8.473 8.190 0.019 -0.294 0.450 37 D N -2.393 118.011 120.400 0.008 0.000 2.178 37 D HA -0.207 4.436 4.640 0.004 0.000 0.202 37 D C 2.404 178.706 176.300 0.004 0.000 0.974 37 D CA 3.664 57.666 54.000 0.005 0.000 0.841 37 D CB -0.894 39.909 40.800 0.004 0.000 0.953 37 D HN 0.407 8.782 8.370 0.009 0.000 0.478 38 T N 2.756 117.313 114.554 0.005 0.000 2.821 38 T HA -0.268 4.084 4.350 0.002 0.000 0.267 38 T C 2.040 176.741 174.700 0.003 0.000 1.046 38 T CA 4.039 66.141 62.100 0.004 0.000 1.139 38 T CB -0.321 68.550 68.868 0.005 0.000 0.871 38 T HN -0.770 7.460 8.240 0.006 0.013 0.454 39 L N 0.614 121.839 121.223 0.004 0.000 2.017 39 L HA -0.416 3.925 4.340 0.002 0.000 0.208 39 L C 2.125 178.995 176.870 0.000 0.000 1.073 39 L CA 3.126 57.968 54.840 0.003 0.000 0.745 39 L CB -0.555 41.508 42.059 0.006 0.000 0.894 39 L HN -0.764 7.470 8.230 0.007 0.000 0.432 40 I N -2.590 117.980 120.570 0.000 0.000 2.226 40 I HA -0.536 3.632 4.170 -0.003 0.000 0.245 40 I C 2.339 178.455 176.117 -0.002 0.000 1.100 40 I CA 3.823 65.122 61.300 -0.002 0.000 1.374 40 I CB -0.221 37.778 38.000 -0.002 0.000 1.057 40 I HN -0.357 7.854 8.210 0.002 0.000 0.413 41 N N -0.287 118.412 118.700 -0.001 0.000 2.512 41 N HA -0.175 4.563 4.740 -0.002 0.000 0.183 41 N C 0.836 176.345 175.510 -0.003 0.000 1.073 41 N CA 2.528 55.577 53.050 -0.002 0.000 0.911 41 N CB -0.124 38.363 38.487 -0.001 0.000 0.964 41 N HN -0.142 8.237 8.380 -0.000 0.000 0.447 42 A N -0.820 121.998 122.820 -0.003 0.000 2.119 42 A HA -0.063 4.255 4.320 -0.004 0.000 0.217 42 A C 0.061 177.642 177.584 -0.005 0.000 1.153 42 A CA 1.561 53.595 52.037 -0.004 0.000 0.692 42 A CB 0.490 19.487 19.000 -0.005 0.000 0.799 42 A HN -0.350 7.763 8.150 -0.002 0.036 0.458 43 V N -7.761 112.150 119.914 -0.005 0.000 2.454 43 V HA 0.711 4.936 4.120 -0.006 -0.109 0.255 43 V C -2.086 174.005 176.094 -0.005 0.000 1.009 43 V CA -3.843 58.453 62.300 -0.006 0.000 1.149 43 V CB 0.077 31.896 31.823 -0.006 0.000 1.418 43 V HN -0.593 7.442 8.190 -0.004 0.153 0.567 44 P HA 0.011 4.429 4.420 -0.004 0.000 0.225 44 P C 1.230 178.528 177.300 -0.005 0.000 1.148 44 P CA 1.610 64.707 63.100 -0.004 0.000 0.779 44 P CB 0.081 31.779 31.700 -0.004 0.000 0.780 45 E N -0.682 119.515 120.200 -0.005 0.000 2.273 45 E HA -0.253 4.093 4.350 -0.005 0.000 0.198 45 E C 2.293 178.890 176.600 -0.007 0.000 1.002 45 E CA 2.942 59.338 56.400 -0.006 0.000 0.828 45 E CB -1.154 28.542 29.700 -0.006 0.000 0.747 45 E HN 0.477 8.795 8.360 -0.005 0.039 0.491 46 V N 0.554 120.464 119.914 -0.007 0.000 2.568 46 V HA -0.358 3.757 4.120 -0.008 0.000 0.253 46 V C 0.769 176.859 176.094 -0.007 0.000 1.072 46 V CA 3.032 65.327 62.300 -0.008 0.000 1.084 46 V CB -0.357 31.461 31.823 -0.008 0.000 0.676 46 V HN -0.048 8.082 8.190 -0.006 0.056 0.469 47 K N -2.382 118.015 120.400 -0.006 0.000 2.442 47 K HA -0.064 4.404 4.320 -0.005 -0.151 0.198 47 K C 1.018 177.615 176.600 -0.005 0.000 1.042 47 K CA 1.831 58.115 56.287 -0.005 0.000 0.958 47 K CB -0.652 31.846 32.500 -0.004 0.000 0.766 47 K HN -0.380 7.827 8.250 -0.006 0.039 0.474 48 K N -3.015 117.381 120.400 -0.006 0.000 2.400 48 K HA -0.086 4.231 4.320 -0.005 0.000 0.194 48 K C 0.556 177.152 176.600 -0.007 0.000 1.033 48 K CA 1.495 57.779 56.287 -0.006 0.000 1.021 48 K CB 0.562 33.059 32.500 -0.006 0.000 0.808 48 K HN -0.566 7.623 8.250 -0.006 0.057 0.505 49 L N -3.429 117.790 121.223 -0.008 0.000 2.470 49 L HA 0.024 4.359 4.340 -0.009 0.000 0.219 49 L C -1.024 175.842 176.870 -0.007 0.000 1.071 49 L CA 0.246 55.081 54.840 -0.008 0.000 0.850 49 L CB 1.456 43.510 42.059 -0.010 0.000 1.040 49 L HN -0.511 7.538 8.230 -0.007 0.177 0.475 50 A N -5.663 117.153 122.820 -0.007 0.000 2.597 50 A HA 0.194 4.598 4.320 -0.006 -0.087 0.292 50 A C -2.771 174.809 177.584 -0.006 0.000 1.057 50 A CA -0.704 51.329 52.037 -0.006 0.000 0.674 50 A CB 2.534 21.529 19.000 -0.008 0.000 1.278 50 A HN -0.826 7.320 8.150 -0.007 0.000 0.416 51 N N 0.662 119.359 118.700 -0.005 0.000 2.406 51 N HA 0.400 5.138 4.740 -0.005 0.000 0.251 51 N C -1.206 174.301 175.510 -0.006 0.000 1.069 51 N CA -0.683 52.364 53.050 -0.005 0.000 0.947 51 N CB 0.490 38.974 38.487 -0.004 0.000 1.111 51 N HN 0.026 8.403 8.380 -0.005 0.000 0.497 52 V N -1.545 118.366 119.914 -0.006 0.000 2.630 52 V HA 1.013 5.362 4.120 -0.009 -0.234 0.305 52 V C -0.253 175.838 176.094 -0.005 0.000 1.046 52 V CA -3.077 59.219 62.300 -0.007 0.000 0.934 52 V CB 2.131 33.949 31.823 -0.008 0.000 1.003 52 V HN 0.106 8.293 8.190 -0.005 0.000 0.451 53 K N 5.675 126.071 120.400 -0.006 0.000 2.471 53 K HA 0.378 4.697 4.320 -0.002 0.000 0.252 53 K C -1.342 175.257 176.600 -0.003 0.000 0.938 53 K CA -1.130 55.156 56.287 -0.003 0.000 0.796 53 K CB 3.519 36.018 32.500 -0.001 0.000 1.161 53 K HN 0.048 8.293 8.250 -0.008 0.000 0.425 54 G N 3.726 112.527 108.800 0.001 0.000 2.377 54 G HA2 0.367 4.330 3.960 0.006 0.000 0.299 54 G HA3 0.367 4.511 3.960 0.001 -0.183 0.299 54 G C -1.761 173.146 174.900 0.012 0.000 1.150 54 G CA -0.722 44.381 45.100 0.005 0.000 0.847 54 G HN 0.235 8.526 8.290 0.002 0.000 0.501 55 E N 1.958 122.170 120.200 0.021 0.000 2.263 55 E HA 0.142 4.511 4.350 0.032 0.000 0.268 55 E C -2.024 174.611 176.600 0.059 0.000 0.884 55 E CA -1.547 54.876 56.400 0.037 0.000 0.766 55 E CB 3.215 32.941 29.700 0.043 0.000 1.196 55 E HN 0.224 8.595 8.360 0.017 0.000 0.416 56 Q N 6.927 126.761 119.800 0.057 0.000 2.406 56 Q HA 0.051 4.439 4.340 0.079 0.000 0.242 56 Q C -1.266 174.793 176.000 0.099 0.000 1.036 56 Q CA 0.297 56.141 55.803 0.067 0.000 0.904 56 Q CB -0.452 28.304 28.738 0.030 0.000 1.244 56 Q HN 0.568 8.863 8.270 0.042 0.000 0.478 57 F N 9.080 129.024 119.950 -0.009 0.000 2.179 57 F HA -0.078 4.445 4.527 -0.006 0.000 0.292 57 F C -0.441 175.355 175.800 -0.007 0.000 1.089 57 F CA 1.221 59.217 58.000 -0.007 0.000 1.295 57 F CB 1.234 40.231 39.000 -0.005 0.000 1.041 57 F HN 0.348 8.808 8.300 0.267 0.000 0.487 58 S N -3.511 112.260 115.700 0.117 0.000 2.672 58 S HA 0.035 4.446 4.470 -0.098 0.000 0.271 58 S C -2.266 172.364 174.600 0.049 0.000 1.171 58 S CA -0.524 57.678 58.200 0.003 0.000 0.817 58 S CB 2.428 65.650 63.200 0.038 0.000 1.150 58 S HN -0.522 7.943 8.310 0.258 0.000 0.478 59 N N -0.084 118.625 118.700 0.014 0.000 2.751 59 N HA 0.311 5.163 4.740 0.028 -0.095 0.234 59 N C -2.101 173.411 175.510 0.004 0.000 1.403 59 N CA 0.221 53.281 53.050 0.016 0.000 0.747 59 N CB 0.694 39.188 38.487 0.012 0.000 1.326 59 N HN 0.156 8.532 8.380 -0.006 0.000 0.532 60 M N -2.581 117.018 119.600 -0.002 0.000 2.619 60 M HA 0.543 5.017 4.480 -0.010 0.000 0.297 60 M C -2.267 174.018 176.300 -0.025 0.000 1.229 60 M CA -1.609 53.683 55.300 -0.014 0.000 0.860 60 M CB 4.289 36.879 32.600 -0.018 0.000 1.741 60 M HN -0.257 8.033 8.290 -0.001 0.000 0.462 61 A N 0.135 122.944 122.820 -0.018 0.000 2.477 61 A HA 0.121 4.440 4.320 -0.002 0.000 0.246 61 A C 1.074 178.638 177.584 -0.033 0.000 1.078 61 A CA -0.196 51.831 52.037 -0.016 0.000 0.770 61 A CB 0.264 19.253 19.000 -0.018 0.000 1.011 61 A HN 0.459 8.600 8.150 -0.016 0.000 0.494 62 S N 3.962 119.643 115.700 -0.032 0.000 2.515 62 S HA -0.332 4.070 4.470 -0.114 0.000 0.231 62 S C 1.084 175.696 174.600 0.020 0.000 0.987 62 S CA 2.552 60.725 58.200 -0.045 0.000 0.936 62 S CB -0.516 62.681 63.200 -0.006 0.000 0.766 62 S HN 0.509 8.817 8.310 -0.005 0.000 0.528 63 E N 1.252 121.462 120.200 0.017 0.000 2.333 63 E HA -0.153 4.213 4.350 0.026 0.000 0.198 63 E C 0.405 177.008 176.600 0.006 0.000 1.007 63 E CA 1.998 58.406 56.400 0.014 0.000 0.845 63 E CB -1.376 28.322 29.700 -0.003 0.000 0.766 63 E HN 0.408 8.743 8.360 0.011 0.032 0.507 64 N N -2.299 116.400 118.700 -0.002 0.000 2.280 64 N HA 0.004 4.743 4.740 -0.002 0.000 0.192 64 N C -0.669 174.844 175.510 0.005 0.000 1.109 64 N CA -0.287 52.761 53.050 -0.003 0.000 0.855 64 N CB 0.959 39.439 38.487 -0.011 0.000 0.974 64 N HN -0.449 7.876 8.380 -0.008 0.050 0.482 65 M N 0.132 119.740 119.600 0.013 0.000 2.239 65 M HA -0.093 nan 4.480 nan 0.000 0.348 65 M C -0.562 175.760 176.300 0.036 0.000 1.239 65 M CA 1.129 56.451 55.300 0.036 0.000 1.114 65 M CB 0.327 32.968 32.600 0.069 0.000 1.641 65 M HN -0.667 7.513 8.290 0.010 0.116 0.453 66 T N -1.844 112.726 114.554 0.026 0.000 2.907 66 T HA 0.277 4.633 4.350 0.010 0.000 0.292 66 T C 0.787 175.471 174.700 -0.027 0.000 1.043 66 T CA -1.522 60.581 62.100 0.007 0.000 1.003 66 T CB 3.517 72.389 68.868 0.006 0.000 1.084 66 T HN -0.068 8.193 8.240 0.035 0.000 0.483 67 G N 1.204 109.978 108.800 -0.044 0.000 2.469 67 G HA2 -0.426 3.492 3.960 -0.070 0.000 0.219 67 G HA3 -0.426 3.413 3.960 -0.203 0.000 0.219 67 G C 0.606 175.427 174.900 -0.132 0.000 1.150 67 G CA 2.299 47.329 45.100 -0.116 0.000 0.763 67 G HN 0.610 8.889 8.290 -0.018 0.000 0.561 68 D N 0.268 120.640 120.400 -0.047 0.000 2.144 68 D HA -0.196 4.431 4.640 -0.022 0.000 0.199 68 D C 1.886 178.179 176.300 -0.011 0.000 0.984 68 D CA 2.946 56.932 54.000 -0.023 0.000 0.834 68 D CB -0.599 40.202 40.800 0.001 0.000 0.955 68 D HN -0.051 8.303 8.370 -0.026 0.000 0.465 69 V N -0.128 119.790 119.914 0.007 0.000 2.407 69 V HA -0.284 3.909 4.120 0.121 0.000 0.245 69 V C 1.873 178.029 176.094 0.104 0.000 1.041 69 V CA 3.279 65.636 62.300 0.096 0.000 1.040 69 V CB -0.196 31.697 31.823 0.117 0.000 0.671 69 V HN -0.841 7.332 8.190 -0.004 0.015 0.455 70 V N 0.783 120.656 119.914 -0.068 0.000 2.392 70 V HA -0.450 3.612 4.120 -0.097 0.000 0.249 70 V C 2.304 178.177 176.094 -0.368 0.000 1.059 70 V CA 4.360 66.519 62.300 -0.235 0.000 1.051 70 V CB -1.233 30.336 31.823 -0.424 0.000 0.658 70 V HN -0.000 8.138 8.190 -0.086 0.000 0.455 71 L N -0.621 120.371 121.223 -0.387 0.000 2.017 71 L HA -0.461 nan 4.340 nan 0.000 0.208 71 L C 1.731 178.623 176.870 0.036 0.000 1.073 71 L CA 3.791 58.534 54.840 -0.162 0.000 0.745 71 L CB -0.578 41.452 42.059 -0.050 0.000 0.894 71 L HN 0.156 8.164 8.230 -0.353 0.010 0.432 72 K N -1.694 118.759 120.400 0.088 0.000 2.103 72 K HA -0.323 4.263 4.320 0.154 -0.174 0.207 72 K C 2.677 179.404 176.600 0.212 0.000 1.048 72 K CA 3.077 59.481 56.287 0.195 0.000 0.930 72 K CB -0.298 32.361 32.500 0.265 0.000 0.716 72 K HN -0.750 7.542 8.250 0.069 0.000 0.444 73 L N -1.032 120.227 121.223 0.060 0.000 2.012 73 L HA -0.406 3.505 4.340 -0.715 0.000 0.210 73 L C 1.471 178.266 176.870 -0.126 0.000 1.073 73 L CA 3.215 57.833 54.840 -0.370 0.000 0.748 73 L CB -0.267 41.485 42.059 -0.511 0.000 0.891 73 L HN -0.251 7.971 8.230 0.112 0.076 0.431 74 S N -0.999 114.712 115.700 0.018 0.000 2.368 74 S HA -0.432 nan 4.470 nan 0.000 0.225 74 S C 2.340 176.989 174.600 0.082 0.000 1.030 74 S CA 3.311 61.580 58.200 0.114 0.000 0.999 74 S CB -0.894 62.487 63.200 0.302 0.000 0.844 74 S HN -0.104 8.217 8.310 0.018 0.000 0.459 75 Q N 2.240 122.095 119.800 0.092 0.000 2.084 75 Q HA -0.399 3.986 4.340 0.076 0.000 0.202 75 Q C 2.444 178.481 176.000 0.062 0.000 0.978 75 Q CA 3.364 59.215 55.803 0.081 0.000 0.844 75 Q CB -0.153 28.641 28.738 0.093 0.000 0.898 75 Q HN -0.267 8.065 8.270 0.104 0.000 0.426 76 R N -0.049 120.490 120.500 0.065 0.000 2.075 76 R HA -0.221 4.161 4.340 0.070 0.000 0.232 76 R C 2.237 178.543 176.300 0.010 0.000 1.126 76 R CA 2.215 58.350 56.100 0.059 0.000 0.963 76 R CB -0.663 29.705 30.300 0.113 0.000 0.858 76 R HN -0.361 7.954 8.270 0.074 0.000 0.435 77 V N 0.214 120.112 119.914 -0.027 0.000 2.343 77 V HA -0.504 3.588 4.120 -0.048 0.000 0.247 77 V C 1.925 178.016 176.094 -0.006 0.000 1.051 77 V CA 4.182 66.460 62.300 -0.037 0.000 1.036 77 V CB -0.959 30.828 31.823 -0.060 0.000 0.654 77 V HN 0.106 8.272 8.190 -0.041 0.000 0.451 78 N N -0.143 118.565 118.700 0.013 0.000 2.104 78 N HA -0.353 4.394 4.740 0.012 0.000 0.190 78 N C 2.537 178.055 175.510 0.014 0.000 1.024 78 N CA 3.538 56.598 53.050 0.017 0.000 0.853 78 N CB -0.266 38.237 38.487 0.027 0.000 1.008 78 N HN -0.187 8.205 8.380 0.021 0.000 0.424 79 E N 0.327 120.539 120.200 0.019 0.000 2.077 79 E HA -0.317 4.044 4.350 0.018 0.000 0.193 79 E C 2.421 179.028 176.600 0.011 0.000 0.989 79 E CA 2.681 59.092 56.400 0.019 0.000 0.800 79 E CB -0.026 29.691 29.700 0.028 0.000 0.746 79 E HN -0.541 7.834 8.360 0.024 0.000 0.452 80 L N -1.589 119.638 121.223 0.007 0.000 2.017 80 L HA -0.396 3.946 4.340 0.004 0.000 0.208 80 L C 2.299 179.167 176.870 -0.003 0.000 1.073 80 L CA 2.938 57.778 54.840 -0.000 0.000 0.745 80 L CB 0.010 42.063 42.059 -0.010 0.000 0.894 80 L HN -0.366 7.868 8.230 0.007 0.000 0.432 81 L N -3.376 117.844 121.223 -0.005 0.000 2.376 81 L HA -0.213 4.123 4.340 -0.007 0.000 0.219 81 L C 1.912 178.781 176.870 -0.001 0.000 1.133 81 L CA 2.004 56.841 54.840 -0.005 0.000 0.816 81 L CB -0.814 41.242 42.059 -0.005 0.000 0.933 81 L HN -0.075 8.152 8.230 -0.005 0.000 0.449 82 A N -3.200 119.621 122.820 0.001 0.000 2.119 82 A HA -0.156 4.164 4.320 0.001 0.000 0.217 82 A C 0.041 177.626 177.584 0.001 0.000 1.153 82 A CA 0.621 52.660 52.037 0.002 0.000 0.692 82 A CB -0.091 18.912 19.000 0.005 0.000 0.799 82 A HN -0.553 7.567 8.150 0.003 0.032 0.458 83 R N -0.916 119.585 120.500 0.001 0.000 2.438 83 R HA -0.026 4.315 4.340 0.002 0.000 0.287 83 R C 1.048 177.348 176.300 -0.001 0.000 1.077 83 R CA -0.053 56.047 56.100 0.001 0.000 1.034 83 R CB 0.243 30.544 30.300 0.001 0.000 0.993 83 R HN -0.827 7.290 8.270 0.001 0.154 0.459 84 D N 2.824 123.224 120.400 -0.001 0.000 2.219 84 D HA -0.228 4.410 4.640 -0.002 0.000 0.205 84 D C 0.032 176.331 176.300 -0.002 0.000 0.970 84 D CA 2.604 56.603 54.000 -0.001 0.000 0.851 84 D CB -0.013 40.787 40.800 -0.001 0.000 0.943 84 D HN 0.448 8.818 8.370 -0.000 0.000 0.488 85 D N -4.074 116.325 120.400 -0.001 0.000 2.319 85 D HA -0.091 4.548 4.640 -0.002 0.000 0.230 85 D C -0.527 175.771 176.300 -0.003 0.000 1.094 85 D CA -0.415 53.584 54.000 -0.002 0.000 0.856 85 D CB -0.625 40.175 40.800 -0.001 0.000 0.915 85 D HN -0.134 8.204 8.370 -0.001 0.031 0.517 86 V N 0.282 120.194 119.914 -0.004 0.000 2.409 86 V HA 0.109 4.225 4.120 -0.007 0.000 0.291 86 V C -1.566 174.525 176.094 -0.006 0.000 1.020 86 V CA -1.107 61.190 62.300 -0.006 0.000 0.848 86 V CB 1.839 33.658 31.823 -0.007 0.000 0.990 86 V HN -0.889 7.224 8.190 -0.003 0.075 0.430 87 D N 5.830 126.226 120.400 -0.007 0.000 2.366 87 D HA 0.123 4.760 4.640 -0.004 0.000 0.205 87 D C -0.653 175.643 176.300 -0.006 0.000 1.022 87 D CA 1.113 55.110 54.000 -0.005 0.000 0.868 87 D CB 2.018 42.816 40.800 -0.003 0.000 0.953 87 D HN 0.481 8.847 8.370 -0.007 0.000 0.514 88 G N -4.642 104.151 108.800 -0.011 0.000 2.466 88 G HA2 0.230 4.183 3.960 -0.011 0.000 0.291 88 G HA3 0.230 4.264 3.960 -0.015 -0.083 0.291 88 G C -3.106 171.776 174.900 -0.029 0.000 1.460 88 G CA 0.318 45.409 45.100 -0.016 0.000 0.791 88 G HN -0.862 7.421 8.290 -0.013 0.000 0.505 89 V N -0.781 119.106 119.914 -0.046 0.000 2.709 89 V HA 0.771 5.031 4.120 -0.065 -0.179 0.308 89 V C -1.711 174.322 176.094 -0.103 0.000 1.062 89 V CA -2.066 60.188 62.300 -0.076 0.000 0.901 89 V CB 3.979 35.743 31.823 -0.097 0.000 1.003 89 V HN 0.154 8.319 8.190 -0.041 0.000 0.425 90 V N 6.921 126.771 119.914 -0.106 0.000 2.398 90 V HA 0.592 4.847 4.120 -0.136 -0.216 0.286 90 V C -1.117 174.864 176.094 -0.188 0.000 1.026 90 V CA -1.798 60.426 62.300 -0.126 0.000 0.868 90 V CB 1.638 33.419 31.823 -0.070 0.000 0.982 90 V HN 0.545 8.682 8.190 -0.088 0.000 0.443 91 I N 8.148 128.533 120.570 -0.307 0.000 2.354 91 I HA 0.535 4.774 4.170 -0.272 -0.232 0.286 91 I C -0.343 175.671 176.117 -0.171 0.000 1.007 91 I CA -1.611 59.459 61.300 -0.383 0.000 1.167 91 I CB 1.790 39.241 38.000 -0.915 0.000 1.320 91 I HN 0.725 8.738 8.210 -0.328 0.000 0.458 92 T N 7.192 121.720 114.554 -0.044 0.000 2.851 92 T HA 0.318 4.882 4.350 0.064 -0.176 0.298 92 T C -0.694 174.100 174.700 0.157 0.000 0.977 92 T CA -0.849 61.283 62.100 0.053 0.000 1.126 92 T CB 0.705 69.594 68.868 0.035 0.000 0.916 92 T HN 0.033 8.239 8.240 -0.057 0.000 0.529 93 H N 6.360 125.483 119.070 0.088 0.000 3.037 93 H HA 0.548 5.179 4.556 0.126 0.000 0.355 93 H C -1.523 173.880 175.328 0.126 0.000 1.263 93 H CA -0.400 55.732 56.048 0.141 0.000 1.129 93 H CB 4.273 34.199 29.762 0.274 0.000 1.861 93 H HN -0.001 8.414 8.280 0.226 0.000 0.546 94 G N -0.389 108.473 108.800 0.103 0.000 2.569 94 G HA2 -0.094 3.928 3.960 0.103 0.000 0.249 94 G HA3 -0.094 3.966 3.960 0.167 0.000 0.249 94 G C -0.351 174.761 174.900 0.353 0.000 1.216 94 G CA -0.128 45.084 45.100 0.186 0.000 0.845 94 G HN 0.484 8.621 8.290 -0.254 0.000 0.568 95 T N -2.452 112.278 114.554 0.293 0.000 2.904 95 T HA -0.248 4.365 4.350 0.439 0.000 0.267 95 T C 2.121 177.041 174.700 0.366 0.000 1.059 95 T CA 2.705 65.049 62.100 0.407 0.000 1.137 95 T CB -0.112 69.018 68.868 0.438 0.000 0.879 95 T HN 0.390 8.778 8.240 0.246 0.000 0.467 96 D N 1.191 121.727 120.400 0.227 0.000 2.123 96 D HA -0.146 4.559 4.640 0.108 0.000 0.196 96 D C 0.934 177.325 176.300 0.150 0.000 0.992 96 D CA 3.016 57.102 54.000 0.143 0.000 0.833 96 D CB -0.353 40.500 40.800 0.088 0.000 0.954 96 D HN -0.198 8.295 8.370 0.205 0.000 0.455 97 T N -6.936 107.742 114.554 0.207 0.000 3.200 97 T HA 0.153 4.576 4.350 0.122 0.000 0.284 97 T C 0.099 174.899 174.700 0.168 0.000 1.009 97 T CA -1.374 60.834 62.100 0.180 0.000 0.907 97 T CB 1.492 70.459 68.868 0.165 0.000 1.120 97 T HN -0.520 7.873 8.240 0.256 0.000 0.534 98 V N 3.714 123.712 119.914 0.139 0.000 2.392 98 V HA -0.471 3.216 4.120 -0.721 0.000 0.249 98 V C 0.096 176.020 176.094 -0.283 0.000 1.059 98 V CA 3.742 65.882 62.300 -0.267 0.000 1.051 98 V CB -0.145 31.572 31.823 -0.176 0.000 0.658 98 V HN -0.811 7.531 8.190 0.253 0.000 0.455 99 E N -2.514 117.678 120.200 -0.013 0.000 2.153 99 E HA -0.356 4.016 4.350 0.037 0.000 0.194 99 E C 2.061 178.738 176.600 0.128 0.000 0.988 99 E CA 3.144 59.588 56.400 0.072 0.000 0.811 99 E CB -0.997 28.762 29.700 0.099 0.000 0.746 99 E HN 0.575 8.969 8.360 0.089 0.020 0.466 100 E N 0.755 120.993 120.200 0.065 0.000 2.028 100 E HA -0.278 4.225 4.350 0.254 0.000 0.190 100 E C 2.427 179.066 176.600 0.066 0.000 0.984 100 E CA 2.835 59.315 56.400 0.133 0.000 0.800 100 E CB 0.065 29.828 29.700 0.104 0.000 0.758 100 E HN -0.652 7.708 8.360 0.033 0.020 0.448 101 S N 0.525 116.169 115.700 -0.094 0.000 2.368 101 S HA -0.411 4.053 4.470 -0.011 0.000 0.225 101 S C 1.861 176.266 174.600 -0.324 0.000 1.030 101 S CA 3.547 61.653 58.200 -0.156 0.000 0.999 101 S CB -0.038 63.039 63.200 -0.205 0.000 0.844 101 S HN -0.587 7.657 8.310 -0.109 0.000 0.459 102 A N 0.948 123.302 122.820 -0.776 0.000 1.898 102 A HA -0.288 3.340 4.320 -1.152 0.000 0.216 102 A C 1.273 178.759 177.584 -0.164 0.000 1.181 102 A CA 2.939 54.466 52.037 -0.850 0.000 0.620 102 A CB -0.593 17.840 19.000 -0.944 0.000 0.819 102 A HN 0.118 7.812 8.150 -0.761 0.000 0.442 103 Y N -0.275 119.902 120.300 -0.205 0.000 2.293 103 Y HA -0.343 4.066 4.550 -0.235 0.000 0.291 103 Y C 1.295 177.184 175.900 -0.018 0.000 1.137 103 Y CA 1.703 59.701 58.100 -0.170 0.000 1.202 103 Y CB -0.036 38.252 38.460 -0.287 0.000 0.990 103 Y HN -0.687 7.617 8.280 0.039 0.000 0.537 104 F N 0.210 120.075 119.950 -0.141 0.000 2.095 104 F HA -0.453 3.889 4.527 -0.309 0.000 0.298 104 F C 1.832 177.561 175.800 -0.118 0.000 1.104 104 F CA 4.129 62.017 58.000 -0.187 0.000 1.232 104 F CB 0.150 39.099 39.000 -0.086 0.000 0.987 104 F HN -0.409 8.012 8.300 0.202 0.000 0.475 105 L N -1.716 119.664 121.223 0.261 0.000 2.141 105 L HA -0.339 4.138 4.340 0.229 0.000 0.209 105 L C 1.973 178.908 176.870 0.108 0.000 1.094 105 L CA 2.788 57.761 54.840 0.222 0.000 0.763 105 L CB -0.717 41.539 42.059 0.329 0.000 0.908 105 L HN -0.378 8.022 8.230 0.283 0.000 0.437 106 H N -0.314 118.739 119.070 -0.030 0.000 2.390 106 H HA -0.308 4.243 4.556 -0.008 0.000 0.298 106 H C 1.804 177.087 175.328 -0.074 0.000 1.106 106 H CA 4.419 60.440 56.048 -0.045 0.000 1.297 106 H CB 0.067 29.813 29.762 -0.026 0.000 1.375 106 H HN -0.136 8.252 8.280 0.179 0.000 0.509 107 L N -6.945 114.162 121.223 -0.193 0.000 2.446 107 L HA -0.009 4.239 4.340 -0.154 0.000 0.219 107 L C 0.671 177.427 176.870 -0.189 0.000 1.116 107 L CA 1.622 56.305 54.840 -0.262 0.000 0.844 107 L CB 0.176 41.887 42.059 -0.580 0.000 0.970 107 L HN -0.480 7.580 8.230 -0.234 0.030 0.457 108 T N -6.412 108.030 114.554 -0.186 0.000 3.004 108 T HA 0.194 4.477 4.350 -0.111 0.000 0.266 108 T C 0.122 174.804 174.700 -0.030 0.000 0.986 108 T CA -0.736 61.287 62.100 -0.128 0.000 0.902 108 T CB 1.582 70.321 68.868 -0.215 0.000 1.118 108 T HN -0.554 7.421 8.240 -0.161 0.169 0.522 109 V N 3.822 123.732 119.914 -0.006 0.000 2.455 109 V HA -0.193 4.078 4.120 0.022 -0.137 0.273 109 V C -1.172 174.922 176.094 0.001 0.000 1.045 109 V CA 0.244 62.554 62.300 0.016 0.000 0.976 109 V CB -0.154 31.691 31.823 0.036 0.000 0.993 109 V HN -0.292 7.890 8.190 -0.013 0.000 0.475 110 K N 8.222 128.622 120.400 -0.000 0.000 3.141 110 K HA 0.112 4.423 4.320 -0.015 0.000 0.248 110 K C -1.340 175.257 176.600 -0.004 0.000 1.282 110 K CA -1.748 54.534 56.287 -0.008 0.000 1.251 110 K CB -1.907 30.586 32.500 -0.011 0.000 1.533 110 K HN 0.171 8.776 8.250 0.005 -0.352 0.409 111 S N -0.556 115.145 115.700 0.002 0.000 2.550 111 S HA 0.158 4.627 4.470 -0.001 0.000 0.270 111 S C -1.332 173.275 174.600 0.012 0.000 1.145 111 S CA -0.604 57.598 58.200 0.003 0.000 0.852 111 S CB 2.274 65.476 63.200 0.003 0.000 1.119 111 S HN -0.701 7.539 8.310 0.006 0.074 0.465 112 D N 1.837 122.242 120.400 0.009 0.000 2.350 112 D HA 0.076 4.734 4.640 0.029 0.000 0.213 112 D C 0.156 176.462 176.300 0.009 0.000 1.031 112 D CA 0.574 54.583 54.000 0.015 0.000 0.861 112 D CB 0.312 41.116 40.800 0.007 0.000 0.926 112 D HN 0.238 8.610 8.370 0.003 0.000 0.520 113 K N 1.127 121.530 120.400 0.005 0.000 2.355 113 K HA -0.002 4.319 4.320 0.002 0.000 0.270 113 K C -2.153 174.450 176.600 0.005 0.000 1.003 113 K CA -0.484 55.805 56.287 0.003 0.000 0.957 113 K CB -0.516 31.984 32.500 -0.001 0.000 0.939 113 K HN -0.766 7.436 8.250 0.004 0.050 0.482 114 P HA -0.103 4.329 4.420 0.019 0.000 0.268 114 P C -1.999 175.304 177.300 0.004 0.000 1.204 114 P CA -0.195 62.914 63.100 0.015 0.000 0.768 114 P CB 0.443 32.158 31.700 0.025 0.000 0.842 115 V N 4.460 124.383 119.914 0.016 0.000 2.376 115 V HA 0.500 4.771 4.120 -0.045 -0.177 0.287 115 V C -1.323 174.793 176.094 0.036 0.000 1.015 115 V CA -0.839 61.461 62.300 -0.001 0.000 0.834 115 V CB 1.334 33.172 31.823 0.025 0.000 1.001 115 V HN 0.412 8.621 8.190 0.032 0.000 0.428 116 V N 7.710 127.611 119.914 -0.022 0.000 2.349 116 V HA 0.381 4.710 4.120 0.094 -0.153 0.284 116 V C -0.827 175.247 176.094 -0.034 0.000 1.014 116 V CA -1.849 60.465 62.300 0.024 0.000 0.826 116 V CB 0.668 32.498 31.823 0.011 0.000 1.009 116 V HN 0.457 8.600 8.190 -0.079 0.000 0.431 117 F N 8.333 128.245 119.950 -0.063 0.000 2.429 117 F HA 0.387 5.060 4.527 -0.062 -0.183 0.348 117 F C -1.006 174.739 175.800 -0.090 0.000 1.109 117 F CA 0.722 58.671 58.000 -0.084 0.000 1.232 117 F CB 1.458 40.372 39.000 -0.143 0.000 1.157 117 F HN 0.632 9.172 8.300 0.400 0.000 0.564 118 V N 0.867 120.835 119.914 0.090 0.000 3.007 118 V HA 0.917 5.198 4.120 -0.006 -0.164 0.311 118 V C -2.610 173.520 176.094 0.059 0.000 1.120 118 V CA -3.263 59.054 62.300 0.029 0.000 0.980 118 V CB 4.573 36.398 31.823 0.003 0.000 1.033 118 V HN 0.240 8.486 8.190 0.094 0.000 0.429 119 A N 5.317 128.151 122.820 0.024 0.000 2.568 119 A HA 0.640 5.122 4.320 0.099 -0.102 0.291 119 A C -2.743 174.879 177.584 0.064 0.000 1.159 119 A CA -0.877 51.201 52.037 0.069 0.000 0.679 119 A CB 3.193 22.239 19.000 0.077 0.000 1.285 119 A HN -0.161 7.985 8.150 -0.008 0.000 0.428 120 A N -3.126 119.753 122.820 0.097 0.000 2.520 120 A HA 0.408 4.910 4.320 0.077 -0.136 0.298 120 A C -1.421 176.230 177.584 0.111 0.000 1.051 120 A CA -0.662 51.423 52.037 0.081 0.000 0.690 120 A CB 3.128 22.150 19.000 0.036 0.000 1.281 120 A HN 0.391 8.612 8.150 0.119 0.000 0.402 121 M N 0.265 119.926 119.600 0.102 0.000 2.514 121 M HA 0.065 4.626 4.480 0.135 0.000 0.258 121 M C 0.449 176.769 176.300 0.034 0.000 1.119 121 M CA -0.194 55.166 55.300 0.100 0.000 1.111 121 M CB 0.482 33.142 32.600 0.102 0.000 1.390 121 M HN 0.163 8.940 8.290 0.091 -0.431 0.475 122 R N -1.583 118.901 120.500 -0.028 0.000 2.589 122 R HA 0.444 4.684 4.340 -0.166 0.000 0.293 122 R C -2.813 173.359 176.300 -0.213 0.000 0.963 122 R CA -3.141 52.883 56.100 -0.127 0.000 0.905 122 R CB 1.218 31.467 30.300 -0.086 0.000 1.144 122 R HN -0.546 8.005 8.270 -0.009 -0.286 0.459 123 P HA 0.232 4.719 4.420 -0.290 -0.241 0.272 123 P C 0.482 177.673 177.300 -0.182 0.000 1.240 123 P CA -0.884 61.991 63.100 -0.376 0.000 0.791 123 P CB 0.858 32.158 31.700 -0.665 0.000 0.978 124 A N 0.334 123.091 122.820 -0.106 0.000 2.024 124 A HA -0.246 4.043 4.320 -0.052 0.000 0.220 124 A C 0.881 178.431 177.584 -0.056 0.000 1.164 124 A CA 2.560 54.562 52.037 -0.059 0.000 0.643 124 A CB -0.143 18.839 19.000 -0.030 0.000 0.806 124 A HN 0.062 8.154 8.150 -0.097 0.000 0.451 125 T N -4.398 110.116 114.554 -0.068 0.000 3.088 125 T HA -0.144 4.185 4.350 -0.035 0.000 0.259 125 T C 0.071 174.738 174.700 -0.055 0.000 1.122 125 T CA 0.547 62.617 62.100 -0.049 0.000 1.095 125 T CB -0.024 68.821 68.868 -0.038 0.000 0.930 125 T HN -0.453 7.698 8.240 -0.086 0.038 0.508 126 A N 0.757 123.529 122.820 -0.080 0.000 2.407 126 A HA 0.093 4.531 4.320 -0.063 -0.155 0.248 126 A C -0.561 176.996 177.584 -0.044 0.000 1.082 126 A CA -1.118 50.877 52.037 -0.071 0.000 0.785 126 A CB 0.901 19.840 19.000 -0.101 0.000 1.020 126 A HN -0.582 7.343 8.150 -0.099 0.165 0.489 127 I N 2.856 123.407 120.570 -0.032 0.000 2.826 127 I HA -0.283 3.875 4.170 -0.020 0.000 0.295 127 I C 0.133 176.237 176.117 -0.023 0.000 1.213 127 I CA 1.637 62.923 61.300 -0.022 0.000 1.436 127 I CB 0.077 38.068 38.000 -0.015 0.000 1.348 127 I HN -0.208 7.984 8.210 -0.031 0.000 0.570 128 S N 1.636 117.325 115.700 -0.019 0.000 3.641 128 S HA -0.317 4.144 4.470 -0.014 0.000 0.346 128 S C -0.360 174.228 174.600 -0.020 0.000 1.074 128 S CA 0.853 59.043 58.200 -0.016 0.000 1.026 128 S CB -1.584 61.610 63.200 -0.011 0.000 0.908 128 S HN 0.307 8.607 8.310 -0.017 0.000 0.479 129 A N -0.065 122.738 122.820 -0.028 0.000 2.540 129 A HA -0.197 4.098 4.320 -0.042 0.000 0.239 129 A C -0.427 177.144 177.584 -0.021 0.000 1.061 129 A CA 1.029 53.045 52.037 -0.034 0.000 0.758 129 A CB 0.558 19.532 19.000 -0.043 0.000 0.991 129 A HN -0.799 7.311 8.150 -0.029 0.023 0.502 130 D N 2.488 122.879 120.400 -0.015 0.000 2.305 130 D HA -0.151 4.487 4.640 -0.004 0.000 0.206 130 D C 1.383 177.682 176.300 -0.002 0.000 0.974 130 D CA 1.907 55.906 54.000 -0.002 0.000 0.871 130 D CB 0.078 40.886 40.800 0.012 0.000 0.947 130 D HN 0.365 8.723 8.370 -0.019 0.000 0.516 131 G N 0.867 109.665 108.800 -0.004 0.000 2.440 131 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 131 G HA3 -0.221 3.744 3.960 0.007 0.000 0.218 131 G C -1.207 173.691 174.900 -0.003 0.000 1.154 131 G CA 2.697 47.797 45.100 -0.000 0.000 0.767 131 G HN 0.662 8.945 8.290 -0.011 0.000 0.552 132 P HA -0.235 4.181 4.420 -0.007 0.000 0.214 132 P C 1.320 178.615 177.300 -0.008 0.000 1.163 132 P CA 3.087 66.183 63.100 -0.008 0.000 0.883 132 P CB -0.124 31.571 31.700 -0.009 0.000 0.788 133 M N -3.861 115.734 119.600 -0.009 0.000 2.175 133 M HA -0.255 4.219 4.480 -0.011 0.000 0.264 133 M C 1.573 177.866 176.300 -0.012 0.000 1.063 133 M CA 2.449 57.742 55.300 -0.011 0.000 1.119 133 M CB -0.391 32.202 32.600 -0.011 0.000 1.377 133 M HN -0.350 7.935 8.290 -0.008 0.000 0.415 134 N N 0.693 119.387 118.700 -0.010 0.000 2.104 134 N HA -0.312 4.417 4.740 -0.019 0.000 0.190 134 N C 2.380 177.882 175.510 -0.013 0.000 1.024 134 N CA 2.870 55.913 53.050 -0.013 0.000 0.853 134 N CB -0.452 38.032 38.487 -0.005 0.000 1.008 134 N HN -0.357 8.019 8.380 -0.007 0.000 0.424 135 L N 0.440 121.658 121.223 -0.009 0.000 2.046 135 L HA -0.222 4.112 4.340 -0.010 0.000 0.208 135 L C 1.166 178.028 176.870 -0.013 0.000 1.077 135 L CA 2.862 57.696 54.840 -0.010 0.000 0.747 135 L CB -0.359 41.696 42.059 -0.006 0.000 0.896 135 L HN -0.137 8.090 8.230 -0.006 0.000 0.432 136 L N -1.053 120.162 121.223 -0.013 0.000 2.012 136 L HA -0.461 nan 4.340 nan 0.000 0.210 136 L C 1.692 178.552 176.870 -0.017 0.000 1.073 136 L CA 3.492 58.324 54.840 -0.014 0.000 0.748 136 L CB -0.502 41.550 42.059 -0.012 0.000 0.891 136 L HN -0.432 7.791 8.230 -0.011 0.000 0.431 137 E N -1.237 118.951 120.200 -0.020 0.000 2.077 137 E HA -0.478 3.855 4.350 -0.028 0.000 0.193 137 E C 2.086 178.671 176.600 -0.025 0.000 0.989 137 E CA 3.307 59.691 56.400 -0.027 0.000 0.800 137 E CB -0.241 29.438 29.700 -0.034 0.000 0.746 137 E HN -0.236 8.113 8.360 -0.019 0.000 0.452 138 A N -0.238 122.569 122.820 -0.021 0.000 1.902 138 A HA -0.309 4.003 4.320 -0.013 0.000 0.217 138 A C 1.920 179.496 177.584 -0.014 0.000 1.181 138 A CA 3.343 55.370 52.037 -0.016 0.000 0.623 138 A CB -0.628 18.361 19.000 -0.017 0.000 0.818 138 A HN -0.140 7.998 8.150 -0.021 0.000 0.443 139 V N -0.807 119.098 119.914 -0.016 0.000 2.343 139 V HA -0.489 3.622 4.120 -0.015 0.000 0.247 139 V C 1.929 178.017 176.094 -0.010 0.000 1.051 139 V CA 3.974 66.265 62.300 -0.014 0.000 1.036 139 V CB -1.057 30.758 31.823 -0.014 0.000 0.654 139 V HN -0.266 7.914 8.190 -0.016 0.000 0.451 140 R N -0.266 120.226 120.500 -0.013 0.000 2.083 140 R HA -0.411 3.922 4.340 -0.012 0.000 0.237 140 R C 2.557 178.853 176.300 -0.006 0.000 1.137 140 R CA 3.617 59.708 56.100 -0.014 0.000 0.951 140 R CB -0.130 30.155 30.300 -0.025 0.000 0.851 140 R HN -0.599 7.662 8.270 -0.016 0.000 0.434 141 V N -1.341 118.571 119.914 -0.004 0.000 2.295 141 V HA -0.416 3.722 4.120 0.030 0.000 0.246 141 V C 2.513 178.637 176.094 0.050 0.000 1.049 141 V CA 4.121 66.437 62.300 0.027 0.000 1.024 141 V CB -0.167 31.672 31.823 0.026 0.000 0.648 141 V HN -0.253 7.929 8.190 -0.012 0.000 0.447 142 A N -1.191 121.644 122.820 0.025 0.000 2.019 142 A HA -0.239 4.098 4.320 0.029 0.000 0.219 142 A C 1.499 179.094 177.584 0.017 0.000 1.164 142 A CA 2.587 54.636 52.037 0.019 0.000 0.644 142 A CB -0.626 18.373 19.000 -0.003 0.000 0.805 142 A HN -0.076 8.082 8.150 0.013 0.000 0.449 143 G N -4.912 103.896 108.800 0.013 0.000 2.777 143 G HA2 -0.058 3.905 3.960 0.004 0.000 0.211 143 G HA3 -0.058 3.906 3.960 0.006 0.000 0.211 143 G C -0.967 173.943 174.900 0.017 0.000 1.149 143 G CA -0.579 44.527 45.100 0.009 0.000 0.785 143 G HN -0.613 7.647 8.290 0.011 0.037 0.536 144 D N 1.472 121.892 120.400 0.033 0.000 2.312 144 D HA 0.061 4.717 4.640 0.027 0.000 0.252 144 D C 1.056 177.384 176.300 0.046 0.000 1.150 144 D CA -0.237 53.789 54.000 0.043 0.000 0.870 144 D CB 1.673 42.515 40.800 0.070 0.000 1.153 144 D HN -0.901 7.444 8.370 0.040 0.050 0.457 145 K N 6.433 126.850 120.400 0.029 0.000 2.152 145 K HA -0.355 3.973 4.320 0.013 0.000 0.206 145 K C 1.718 178.329 176.600 0.018 0.000 1.048 145 K CA 2.513 58.811 56.287 0.018 0.000 0.933 145 K CB -0.595 31.911 32.500 0.009 0.000 0.721 145 K HN 0.545 8.809 8.250 0.023 0.000 0.447 146 Q N -1.921 117.906 119.800 0.046 0.000 2.488 146 Q HA -0.036 4.298 4.340 -0.010 0.000 0.211 146 Q C 1.628 177.602 176.000 -0.044 0.000 0.967 146 Q CA 0.400 56.221 55.803 0.030 0.000 0.926 146 Q CB -0.893 27.907 28.738 0.104 0.000 0.992 146 Q HN -0.006 8.588 8.270 0.062 -0.286 0.506 147 S N -0.864 114.860 115.700 0.041 0.000 2.562 147 S HA -0.045 4.350 4.470 -0.125 0.000 0.221 147 S C -0.204 174.363 174.600 -0.054 0.000 0.975 147 S CA 1.400 59.605 58.200 0.008 0.000 0.918 147 S CB 0.227 63.518 63.200 0.151 0.000 0.772 147 S HN -0.379 7.796 8.310 0.077 0.181 0.531 148 R N 0.886 121.359 120.500 -0.044 0.000 2.643 148 R HA -0.242 4.212 4.340 -0.015 -0.123 0.270 148 R C 1.112 177.387 176.300 -0.043 0.000 1.061 148 R CA 1.181 57.263 56.100 -0.030 0.000 1.107 148 R CB 0.240 30.529 30.300 -0.018 0.000 0.999 148 R HN -0.992 7.200 8.270 -0.036 0.056 0.460 149 G N 2.454 111.250 108.800 -0.006 0.000 2.160 149 G HA2 -0.393 3.582 3.960 0.024 0.000 0.251 149 G HA3 -0.393 3.612 3.960 0.075 0.000 0.251 149 G C 0.206 175.142 174.900 0.059 0.000 1.008 149 G CA 0.780 45.904 45.100 0.039 0.000 0.724 149 G HN 0.527 8.818 8.290 0.002 0.000 0.514 150 R N -0.497 119.983 120.500 -0.033 0.000 2.334 150 R HA 0.062 4.370 4.340 -0.054 0.000 0.216 150 R C -0.488 175.652 176.300 -0.268 0.000 0.905 150 R CA -0.768 55.274 56.100 -0.097 0.000 1.064 150 R CB 0.482 30.702 30.300 -0.134 0.000 1.046 150 R HN -0.466 7.743 8.270 -0.042 0.035 0.508 151 G N -2.722 105.824 108.800 -0.424 0.000 2.796 151 G HA2 -0.294 3.179 3.960 -0.812 0.000 0.571 151 G HA3 -0.294 3.282 3.960 -0.640 0.000 0.571 151 G C -0.789 174.084 174.900 -0.044 0.000 1.370 151 G CA -0.858 43.898 45.100 -0.575 0.000 0.856 151 G HN -0.416 7.681 8.290 -0.212 0.066 0.538 152 V N 0.652 120.709 119.914 0.238 0.000 2.715 152 V HA -0.099 4.225 4.120 0.141 -0.120 0.299 152 V C -0.196 175.956 176.094 0.097 0.000 1.054 152 V CA 1.181 63.593 62.300 0.187 0.000 1.077 152 V CB 0.242 32.218 31.823 0.255 0.000 0.972 152 V HN -0.350 8.189 8.190 0.582 0.000 0.484 153 M N 4.971 124.639 119.600 0.114 0.000 2.602 153 M HA 0.714 5.399 4.480 0.047 -0.177 0.312 153 M C -1.530 174.826 176.300 0.094 0.000 1.181 153 M CA -0.779 54.571 55.300 0.082 0.000 0.910 153 M CB 4.377 37.036 32.600 0.098 0.000 1.723 153 M HN 0.084 8.465 8.290 0.153 0.000 0.459 154 V N 1.276 121.207 119.914 0.028 0.000 2.407 154 V HA 0.530 4.837 4.120 0.016 -0.178 0.291 154 V C -1.645 174.419 176.094 -0.051 0.000 1.018 154 V CA -1.360 60.918 62.300 -0.037 0.000 0.842 154 V CB 1.059 32.777 31.823 -0.175 0.000 0.996 154 V HN 0.452 8.658 8.190 0.027 0.000 0.426 155 V N 9.146 129.029 119.914 -0.053 0.000 2.417 155 V HA 0.949 5.262 4.120 -0.061 -0.230 0.291 155 V C -1.346 174.698 176.094 -0.084 0.000 1.024 155 V CA -1.880 60.386 62.300 -0.057 0.000 0.861 155 V CB 1.724 33.530 31.823 -0.028 0.000 0.985 155 V HN 0.567 8.736 8.190 -0.035 0.000 0.436 156 I N 5.654 126.174 120.570 -0.083 0.000 2.746 156 I HA 0.115 4.262 4.170 -0.038 0.000 0.290 156 I C -2.356 173.739 176.117 -0.036 0.000 1.600 156 I CA -0.112 61.158 61.300 -0.051 0.000 1.019 156 I CB 3.587 41.549 38.000 -0.063 0.000 1.426 156 I HN -0.049 8.108 8.210 -0.089 0.000 0.460 157 N N 9.492 128.182 118.700 -0.016 0.000 2.738 157 N HA -0.391 4.341 4.740 -0.012 0.000 0.249 157 N C -0.834 174.630 175.510 -0.076 0.000 1.047 157 N CA 1.596 54.633 53.050 -0.020 0.000 0.707 157 N CB -1.464 37.036 38.487 0.021 0.000 0.937 157 N HN 0.662 9.348 8.380 -0.008 -0.311 0.545 158 D N -10.609 109.741 120.400 -0.083 0.000 3.046 158 D HA -0.493 4.348 4.640 -0.083 -0.251 0.210 158 D C -1.137 175.053 176.300 -0.183 0.000 1.124 158 D CA 2.277 56.214 54.000 -0.105 0.000 0.986 158 D CB -1.018 39.732 40.800 -0.083 0.000 1.118 158 D HN -0.085 8.452 8.370 -0.065 -0.206 0.416 159 R N -3.646 116.701 120.500 -0.254 0.000 2.732 159 R HA 0.490 4.561 4.340 -0.449 0.000 0.278 159 R C -1.520 174.641 176.300 -0.232 0.000 0.976 159 R CA -2.369 53.465 56.100 -0.443 0.000 0.963 159 R CB 2.451 32.152 30.300 -0.998 0.000 1.150 159 R HN -0.612 7.472 8.270 -0.201 0.066 0.478 160 I N 0.967 121.450 120.570 -0.145 0.000 2.390 160 I HA 0.338 4.643 4.170 0.008 -0.130 0.283 160 I C -0.816 175.406 176.117 0.176 0.000 1.016 160 I CA -0.959 60.355 61.300 0.023 0.000 1.151 160 I CB 1.114 39.138 38.000 0.041 0.000 1.293 160 I HN 0.411 8.509 8.210 -0.186 0.000 0.458 161 G N 6.230 115.142 108.800 0.187 0.000 2.371 161 G HA2 0.365 4.485 3.960 0.266 0.000 0.326 161 G HA3 0.365 4.537 3.960 0.353 0.000 0.326 161 G C -1.959 173.014 174.900 0.121 0.000 1.127 161 G CA -1.773 43.478 45.100 0.251 0.000 0.885 161 G HN 0.401 8.758 8.290 0.112 0.000 0.477 162 S N 2.661 118.419 115.700 0.096 0.000 2.549 162 S HA -0.079 4.350 4.470 -0.068 0.000 0.279 162 S C 1.266 175.748 174.600 -0.196 0.000 1.321 162 S CA -0.718 57.437 58.200 -0.075 0.000 1.054 162 S CB 1.005 64.111 63.200 -0.157 0.000 0.899 162 S HN 0.217 8.623 8.310 0.160 0.000 0.497 163 A N 9.483 132.107 122.820 -0.328 0.000 2.024 163 A HA -0.252 3.929 4.320 -0.231 0.000 0.220 163 A C 1.019 178.235 177.584 -0.613 0.000 1.164 163 A CA 2.878 54.684 52.037 -0.384 0.000 0.643 163 A CB -0.173 18.615 19.000 -0.353 0.000 0.806 163 A HN 0.360 8.328 8.150 -0.302 0.000 0.451 164 R N -3.863 116.111 120.500 -0.877 0.000 2.148 164 R HA -0.234 3.232 4.340 -1.457 0.000 0.223 164 R C 0.906 176.787 176.300 -0.699 0.000 1.088 164 R CA 1.898 57.369 56.100 -1.048 0.000 0.985 164 R CB 0.096 29.871 30.300 -0.875 0.000 0.880 164 R HN -0.620 7.054 8.270 -0.936 0.035 0.451 165 Y N -6.339 113.814 120.300 -0.245 0.000 2.607 165 Y HA 0.051 4.557 4.550 -0.073 0.000 0.276 165 Y C 0.192 176.109 175.900 0.028 0.000 1.117 165 Y CA -0.659 57.393 58.100 -0.080 0.000 1.273 165 Y CB 1.057 39.478 38.460 -0.064 0.000 1.282 165 Y HN -0.770 7.277 8.280 -0.325 0.038 0.514 166 I N -0.303 120.386 120.570 0.199 0.000 2.754 166 I HA -0.270 4.021 4.170 0.201 0.000 0.285 166 I C -0.461 175.807 176.117 0.251 0.000 1.166 166 I CA 0.543 61.976 61.300 0.221 0.000 1.417 166 I CB 0.847 38.975 38.000 0.214 0.000 1.382 166 I HN -0.342 7.938 8.210 0.118 0.000 0.588 167 T N 7.241 121.930 114.554 0.225 0.000 2.889 167 T HA 0.196 4.627 4.350 0.135 0.000 0.315 167 T C -1.991 172.695 174.700 -0.025 0.000 1.291 167 T CA -1.091 61.071 62.100 0.103 0.000 1.028 167 T CB 2.352 71.198 68.868 -0.036 0.000 1.235 167 T HN -0.295 8.083 8.240 0.229 0.000 0.491 168 K N 6.994 127.252 120.400 -0.238 0.000 2.338 168 K HA -0.017 3.597 4.320 -1.178 0.000 0.290 168 K C 0.475 176.879 176.600 -0.326 0.000 1.069 168 K CA 0.233 56.117 56.287 -0.672 0.000 0.941 168 K CB 0.079 32.233 32.500 -0.575 0.000 1.023 168 K HN -0.071 8.380 8.250 -0.095 -0.258 0.477 169 T N 4.796 119.180 114.554 -0.284 0.000 3.044 169 T HA 0.052 4.325 4.350 -0.129 0.000 0.250 169 T C -0.085 174.539 174.700 -0.127 0.000 1.081 169 T CA 0.188 62.197 62.100 -0.152 0.000 1.040 169 T CB 0.949 69.758 68.868 -0.098 0.000 0.962 169 T HN 0.491 8.519 8.240 -0.353 0.000 0.506 170 N N 2.142 120.749 118.700 -0.156 0.000 2.249 170 N HA 0.066 4.757 4.740 -0.082 0.000 0.296 170 N C -0.845 174.601 175.510 -0.107 0.000 1.051 170 N CA -0.467 52.520 53.050 -0.104 0.000 0.815 170 N CB 2.347 40.788 38.487 -0.077 0.000 1.487 170 N HN -0.508 7.740 8.380 -0.220 0.000 0.475 171 A N 2.168 124.946 122.820 -0.070 0.000 1.940 171 A HA -0.226 4.057 4.320 -0.061 0.000 0.219 171 A C 0.193 177.757 177.584 -0.033 0.000 1.176 171 A CA 2.167 54.172 52.037 -0.053 0.000 0.631 171 A CB 0.147 19.125 19.000 -0.038 0.000 0.814 171 A HN 0.460 8.573 8.150 -0.061 0.000 0.446 172 S N -8.224 107.461 115.700 -0.024 0.000 2.744 172 S HA 0.204 4.686 4.470 0.019 0.000 0.265 172 S C -0.760 173.845 174.600 0.009 0.000 1.065 172 S CA -0.072 58.131 58.200 0.004 0.000 1.191 172 S CB 2.571 65.776 63.200 0.009 0.000 1.150 172 S HN -0.145 8.427 8.310 -0.035 -0.282 0.646 173 T N 0.193 114.744 114.554 -0.005 0.000 2.918 173 T HA 0.150 4.507 4.350 0.012 0.000 0.283 173 T C 1.332 176.046 174.700 0.024 0.000 1.001 173 T CA -1.436 60.668 62.100 0.007 0.000 1.041 173 T CB 1.776 70.644 68.868 -0.001 0.000 1.028 173 T HN -0.786 7.583 8.240 -0.022 -0.143 0.511 174 L N -0.698 120.546 121.223 0.035 0.000 2.131 174 L HA -0.214 4.168 4.340 0.071 0.000 0.210 174 L C 0.179 177.098 176.870 0.082 0.000 1.092 174 L CA 2.293 57.168 54.840 0.057 0.000 0.759 174 L CB -0.342 41.741 42.059 0.040 0.000 0.903 174 L HN 0.394 8.640 8.230 0.027 0.000 0.435 175 D N -7.398 113.038 120.400 0.061 0.000 2.395 175 D HA 0.018 4.722 4.640 0.106 0.000 0.226 175 D C 0.681 177.025 176.300 0.074 0.000 1.146 175 D CA -0.391 53.658 54.000 0.081 0.000 0.830 175 D CB -1.413 39.424 40.800 0.062 0.000 0.958 175 D HN -0.188 8.172 8.370 0.042 0.036 0.501 176 T N 2.006 116.569 114.554 0.015 0.000 2.803 176 T HA -0.267 4.022 4.350 -0.101 0.000 0.269 176 T C -0.559 174.022 174.700 -0.198 0.000 1.052 176 T CA 3.274 65.296 62.100 -0.130 0.000 1.136 176 T CB 0.229 68.943 68.868 -0.257 0.000 0.864 176 T HN -0.807 7.358 8.240 0.030 0.093 0.467 177 F N 0.266 120.270 119.950 0.089 0.000 2.471 177 F HA 0.466 5.266 4.527 0.087 -0.221 0.365 177 F C -0.611 175.312 175.800 0.204 0.000 1.095 177 F CA 1.170 59.242 58.000 0.120 0.000 1.174 177 F CB -0.186 38.888 39.000 0.122 0.000 1.105 177 F HN -0.219 8.222 8.300 0.234 0.000 0.535 178 R N 3.129 123.768 120.500 0.231 0.000 2.739 178 R HA 0.306 4.696 4.340 0.084 0.000 0.271 178 R C -2.130 174.158 176.300 -0.020 0.000 1.010 178 R CA -1.291 54.858 56.100 0.080 0.000 0.897 178 R CB 5.085 35.395 30.300 0.017 0.000 1.236 178 R HN -0.075 8.289 8.270 0.157 0.000 0.466 179 A N 1.761 124.463 122.820 -0.197 0.000 2.709 179 A HA 0.471 4.753 4.320 -0.064 0.000 0.332 179 A C -0.467 176.998 177.584 -0.198 0.000 1.241 179 A CA -0.923 51.028 52.037 -0.142 0.000 0.782 179 A CB 1.134 20.072 19.000 -0.104 0.000 1.109 179 A HN 0.453 8.363 8.150 -0.399 0.000 0.472 180 N N 5.241 123.860 118.700 -0.135 0.000 2.104 180 N HA -0.329 4.329 4.740 -0.137 0.000 0.190 180 N C 1.083 176.511 175.510 -0.137 0.000 1.024 180 N CA 2.958 55.933 53.050 -0.126 0.000 0.853 180 N CB -0.121 38.316 38.487 -0.083 0.000 1.008 180 N HN 0.589 8.908 8.380 -0.102 0.000 0.424 181 E N -1.459 118.652 120.200 -0.148 0.000 2.318 181 E HA 0.027 4.303 4.350 -0.124 0.000 0.193 181 E C 0.215 176.688 176.600 -0.213 0.000 0.998 181 E CA 1.297 57.604 56.400 -0.155 0.000 0.859 181 E CB -0.174 29.442 29.700 -0.139 0.000 0.812 181 E HN 0.257 8.530 8.360 -0.145 0.000 0.492 182 E N -2.494 117.531 120.200 -0.292 0.000 2.473 182 E HA 0.130 4.274 4.350 -0.343 0.000 0.204 182 E C 0.083 176.553 176.600 -0.218 0.000 0.994 182 E CA -0.704 55.469 56.400 -0.379 0.000 0.945 182 E CB 0.636 29.806 29.700 -0.884 0.000 0.990 182 E HN -0.574 7.622 8.360 -0.274 0.000 0.493 183 G N -0.126 108.533 108.800 -0.235 0.000 2.752 183 G HA2 -0.346 3.523 3.960 -0.152 0.000 0.234 183 G HA3 -0.346 3.368 3.960 -0.410 0.000 0.234 183 G C -1.412 173.338 174.900 -0.250 0.000 1.367 183 G CA -0.197 44.741 45.100 -0.271 0.000 0.879 183 G HN -0.440 7.695 8.290 -0.257 0.000 0.563 184 Y N -1.196 119.148 120.300 0.073 0.000 2.352 184 Y HA -0.036 4.578 4.550 0.108 0.000 0.326 184 Y C 0.136 176.109 175.900 0.122 0.000 1.166 184 Y CA -0.355 57.802 58.100 0.095 0.000 1.182 184 Y CB 1.184 39.688 38.460 0.073 0.000 1.216 184 Y HN -0.084 8.174 8.280 -0.038 0.000 0.474 185 L N 0.315 121.730 121.223 0.320 0.000 2.131 185 L HA -0.229 4.269 4.340 0.265 0.000 0.210 185 L C 0.113 177.186 176.870 0.338 0.000 1.092 185 L CA 1.929 56.950 54.840 0.300 0.000 0.759 185 L CB 0.399 42.637 42.059 0.298 0.000 0.903 185 L HN 0.125 8.553 8.230 0.330 0.000 0.435 186 G N -8.107 100.837 108.800 0.241 0.000 2.550 186 G HA2 0.497 4.424 3.960 -0.086 0.000 0.293 186 G HA3 0.497 4.601 3.960 0.121 -0.071 0.293 186 G C -3.088 171.802 174.900 -0.017 0.000 1.402 186 G CA 0.204 45.347 45.100 0.072 0.000 0.784 186 G HN -0.670 7.747 8.290 0.245 0.020 0.482 187 V N -5.443 114.437 119.914 -0.057 0.000 3.130 187 V HA 0.943 5.092 4.120 -0.139 -0.113 0.310 187 V C -2.587 173.489 176.094 -0.030 0.000 1.158 187 V CA -3.640 58.613 62.300 -0.077 0.000 1.029 187 V CB 3.944 35.725 31.823 -0.070 0.000 1.057 187 V HN 0.328 8.496 8.190 -0.036 0.000 0.436 188 I N 1.973 122.520 120.570 -0.037 0.000 2.420 188 I HA 0.639 5.021 4.170 0.036 -0.190 0.282 188 I C -0.677 175.459 176.117 0.031 0.000 1.019 188 I CA -0.933 60.367 61.300 -0.000 0.000 1.130 188 I CB 1.118 39.089 38.000 -0.049 0.000 1.262 188 I HN -0.065 8.102 8.210 -0.072 0.000 0.454 189 I N 5.683 126.326 120.570 0.122 0.000 2.533 189 I HA 0.301 4.489 4.170 0.029 0.000 0.290 189 I C 0.392 176.583 176.117 0.123 0.000 1.056 189 I CA -1.926 59.422 61.300 0.080 0.000 1.057 189 I CB 2.804 40.804 38.000 -0.000 0.000 1.240 189 I HN 0.258 8.606 8.210 0.230 0.000 0.423 190 G N 8.714 117.549 108.800 0.059 0.000 2.305 190 G HA2 -0.425 3.578 3.960 0.070 0.000 0.287 190 G HA3 -0.425 3.555 3.960 0.033 0.000 0.287 190 G C -0.029 174.897 174.900 0.044 0.000 1.036 190 G CA 0.611 45.743 45.100 0.054 0.000 0.887 190 G HN 0.448 8.758 8.290 0.034 0.000 0.505 191 N N -5.392 113.324 118.700 0.025 0.000 2.741 191 N HA -0.496 4.240 4.740 -0.006 0.000 0.251 191 N C -1.409 174.089 175.510 -0.019 0.000 1.112 191 N CA 1.285 54.336 53.050 0.000 0.000 0.750 191 N CB -0.624 37.861 38.487 -0.003 0.000 1.119 191 N HN 0.235 8.609 8.380 0.025 0.020 0.561 192 R N -1.709 118.784 120.500 -0.012 0.000 2.686 192 R HA 0.294 4.549 4.340 -0.141 0.000 0.283 192 R C -2.264 173.928 176.300 -0.180 0.000 0.978 192 R CA -1.273 54.749 56.100 -0.129 0.000 0.897 192 R CB 3.155 33.336 30.300 -0.199 0.000 1.192 192 R HN -0.600 7.652 8.270 0.042 0.043 0.457 193 I N 4.039 124.437 120.570 -0.288 0.000 2.395 193 I HA 0.245 4.448 4.170 -0.207 -0.157 0.289 193 I C -0.321 175.508 176.117 -0.480 0.000 1.023 193 I CA -0.241 60.871 61.300 -0.314 0.000 1.350 193 I CB 0.831 38.634 38.000 -0.329 0.000 1.409 193 I HN 0.322 8.371 8.210 -0.268 0.000 0.507 194 Y N 6.811 126.983 120.300 -0.214 0.000 2.388 194 Y HA 0.224 4.738 4.550 -0.059 0.000 0.328 194 Y C -1.402 174.407 175.900 -0.151 0.000 0.963 194 Y CA -1.824 56.206 58.100 -0.116 0.000 1.240 194 Y CB 0.921 39.346 38.460 -0.058 0.000 1.118 194 Y HN 0.465 8.738 8.280 -0.012 0.000 0.484 195 Y N 4.742 125.111 120.300 0.115 0.000 2.336 195 Y HA 0.042 4.760 4.550 0.103 -0.106 0.335 195 Y C 0.509 176.473 175.900 0.108 0.000 1.046 195 Y CA 0.686 58.843 58.100 0.096 0.000 1.198 195 Y CB 0.208 38.703 38.460 0.057 0.000 1.182 195 Y HN 0.611 8.974 8.280 0.139 0.000 0.502 196 Q N 4.139 124.117 119.800 0.297 0.000 2.387 196 Q HA 0.099 4.544 4.340 0.175 0.000 0.212 196 Q C 0.064 176.165 176.000 0.169 0.000 0.925 196 Q CA 0.874 56.796 55.803 0.199 0.000 0.901 196 Q CB 1.670 30.513 28.738 0.175 0.000 1.020 196 Q HN 0.632 9.109 8.270 0.345 0.000 0.545 197 N N -0.748 118.063 118.700 0.186 0.000 2.284 197 N HA 0.194 5.004 4.740 0.116 0.000 0.289 197 N C -2.118 173.466 175.510 0.123 0.000 1.179 197 N CA -0.242 52.892 53.050 0.142 0.000 0.774 197 N CB 2.802 41.378 38.487 0.147 0.000 1.548 197 N HN -0.518 8.004 8.380 0.236 0.000 0.473 198 R N -0.338 120.218 120.500 0.094 0.000 2.514 198 R HA 0.292 4.673 4.340 0.068 0.000 0.301 198 R C -0.554 175.820 176.300 0.122 0.000 0.962 198 R CA -0.702 55.446 56.100 0.081 0.000 0.882 198 R CB 1.515 31.845 30.300 0.050 0.000 1.143 198 R HN 0.141 8.464 8.270 0.089 0.000 0.452 199 I N 0.609 121.263 120.570 0.140 0.000 2.692 199 I HA 0.079 nan 4.170 nan 0.000 0.284 199 I C 0.420 176.634 176.117 0.161 0.000 1.159 199 I CA 0.500 61.907 61.300 0.179 0.000 1.423 199 I CB 0.684 38.736 38.000 0.087 0.000 1.380 199 I HN 0.181 8.461 8.210 0.116 0.000 0.580 200 D N 8.044 128.545 120.400 0.168 0.000 3.110 200 D HA 0.120 4.808 4.640 0.081 0.000 0.254 200 D C -1.235 175.122 176.300 0.095 0.000 1.283 200 D CA -1.344 52.722 54.000 0.110 0.000 0.944 200 D CB -1.426 39.432 40.800 0.096 0.000 1.066 200 D HN 0.267 8.770 8.370 0.221 0.000 0.496 201 K N -2.347 118.102 120.400 0.082 0.000 2.536 201 K HA 0.262 4.578 4.320 -0.007 0.000 0.269 201 K C -0.934 175.634 176.600 -0.052 0.000 0.965 201 K CA -2.672 53.635 56.287 0.033 0.000 0.860 201 K CB 3.168 35.722 32.500 0.091 0.000 1.423 201 K HN -0.735 7.510 8.250 0.109 0.070 0.438 202 L N 0.199 121.280 121.223 -0.237 0.000 2.439 202 L HA 0.032 4.129 4.340 -0.404 0.000 0.269 202 L C -1.292 175.469 176.870 -0.181 0.000 1.179 202 L CA 0.287 54.891 54.840 -0.392 0.000 0.828 202 L CB 0.352 41.951 42.059 -0.768 0.000 1.106 202 L HN 0.097 8.152 8.230 -0.293 0.000 0.467 203 H N -3.255 115.719 119.070 -0.160 0.000 2.917 203 H HA 0.115 4.548 4.556 -0.206 0.000 0.299 203 H C -0.187 175.021 175.328 -0.201 0.000 1.418 203 H CA -1.006 54.869 56.048 -0.289 0.000 1.138 203 H CB 1.552 30.860 29.762 -0.756 0.000 1.830 203 H HN -0.527 7.425 8.280 -0.547 0.000 0.514 204 T N -3.011 111.531 114.554 -0.020 0.000 12.544 204 T HA -0.521 3.954 4.350 -0.021 -0.138 0.384 204 T C 1.941 176.622 174.700 -0.032 0.000 1.479 204 T CA 2.634 64.740 62.100 0.010 0.000 2.168 204 T CB -1.515 67.418 68.868 0.108 0.000 2.571 204 T HN 0.612 8.789 8.240 -0.105 0.000 0.480 205 T N 1.332 115.863 114.554 -0.037 0.000 3.113 205 T HA -0.179 4.143 4.350 -0.046 0.000 0.263 205 T C 1.080 175.724 174.700 -0.093 0.000 1.143 205 T CA 2.115 64.180 62.100 -0.058 0.000 1.090 205 T CB -0.508 68.333 68.868 -0.045 0.000 0.922 205 T HN 0.346 8.581 8.240 -0.008 0.000 0.521 206 R N -0.864 119.551 120.500 -0.142 0.000 2.472 206 R HA 0.219 4.487 4.340 -0.120 0.000 0.279 206 R C -0.849 175.389 176.300 -0.103 0.000 0.953 206 R CA -0.547 55.463 56.100 -0.150 0.000 1.088 206 R CB 0.642 30.808 30.300 -0.223 0.000 1.197 206 R HN -0.345 7.761 8.270 -0.175 0.059 0.536 207 S N -0.371 115.301 115.700 -0.047 0.000 2.554 207 S HA 0.024 4.640 4.470 0.243 0.000 0.278 207 S C -0.180 174.334 174.600 -0.144 0.000 1.242 207 S CA -0.960 57.271 58.200 0.051 0.000 1.051 207 S CB 2.005 65.259 63.200 0.090 0.000 0.986 207 S HN -0.668 7.537 8.310 -0.065 0.066 0.502 208 V N 5.031 124.729 119.914 -0.360 0.000 3.217 208 V HA -0.060 nan 4.120 nan 0.000 0.264 208 V C -0.563 175.159 176.094 -0.619 0.000 1.135 208 V CA 0.349 62.349 62.300 -0.500 0.000 1.142 208 V CB 0.176 31.652 31.823 -0.578 0.000 0.754 208 V HN 0.018 8.004 8.190 -0.339 0.000 0.484 209 F N 0.625 120.396 119.950 -0.298 0.000 2.445 209 F HA -0.019 4.332 4.527 -0.293 0.000 0.359 209 F C -0.934 174.734 175.800 -0.220 0.000 1.101 209 F CA 0.151 57.956 58.000 -0.324 0.000 1.177 209 F CB 0.268 38.975 39.000 -0.488 0.000 1.110 209 F HN -0.702 7.125 8.300 -0.685 0.061 0.522 210 D N 3.424 123.815 120.400 -0.014 0.000 2.788 210 D HA 0.225 4.854 4.640 -0.018 0.000 0.247 210 D C -0.418 175.890 176.300 0.014 0.000 1.236 210 D CA -1.466 52.525 54.000 -0.015 0.000 0.898 210 D CB 2.822 43.605 40.800 -0.027 0.000 1.401 210 D HN 0.087 8.456 8.370 -0.001 0.000 0.549 211 V N -0.800 119.131 119.914 0.028 0.000 3.159 211 V HA 0.319 4.475 4.120 0.061 0.000 0.333 211 V C 0.572 176.712 176.094 0.076 0.000 1.424 211 V CA -0.721 61.620 62.300 0.067 0.000 1.125 211 V CB 0.319 32.212 31.823 0.117 0.000 1.075 211 V HN 0.213 8.416 8.190 0.022 0.000 0.482 212 R N 2.548 123.081 120.500 0.054 0.000 2.193 212 R HA -0.220 4.159 4.340 0.065 0.000 0.229 212 R C 0.988 177.316 176.300 0.047 0.000 1.110 212 R CA 2.620 58.751 56.100 0.052 0.000 0.988 212 R CB -0.165 30.157 30.300 0.038 0.000 0.871 212 R HN -0.674 7.865 8.270 0.041 -0.245 0.458 213 G N -2.683 106.142 108.800 0.042 0.000 3.434 213 G HA2 0.082 4.062 3.960 0.033 0.000 0.258 213 G HA3 0.082 4.064 3.960 0.037 0.000 0.258 213 G C -0.737 174.190 174.900 0.045 0.000 1.128 213 G CA -0.479 44.644 45.100 0.039 0.000 0.792 213 G HN 0.024 8.315 8.290 0.040 0.023 0.539 214 L N -0.964 120.294 121.223 0.058 0.000 2.313 214 L HA 0.346 4.719 4.340 0.054 0.000 0.268 214 L C -0.854 176.054 176.870 0.065 0.000 1.010 214 L CA -1.273 53.605 54.840 0.063 0.000 0.814 214 L CB 2.095 44.201 42.059 0.079 0.000 1.304 214 L HN -0.643 7.458 8.230 0.065 0.168 0.441 215 T N -5.791 108.797 114.554 0.057 0.000 3.058 215 T HA 0.091 4.474 4.350 0.055 0.000 0.278 215 T C -0.893 173.835 174.700 0.047 0.000 0.974 215 T CA -0.664 61.466 62.100 0.050 0.000 0.893 215 T CB 1.300 70.191 68.868 0.038 0.000 1.138 215 T HN 0.018 8.290 8.240 0.054 0.000 0.529 216 S N -1.720 114.014 115.700 0.056 0.000 2.615 216 S HA 0.429 nan 4.470 nan 0.000 0.269 216 S C -2.124 172.520 174.600 0.074 0.000 1.161 216 S CA -0.539 57.693 58.200 0.053 0.000 0.817 216 S CB 2.512 65.737 63.200 0.041 0.000 1.131 216 S HN -0.704 7.642 8.310 0.061 0.000 0.467 217 L N -0.242 121.028 121.223 0.077 0.000 2.319 217 L HA 0.540 4.939 4.340 0.098 0.000 0.267 217 L C -2.184 174.730 176.870 0.075 0.000 1.011 217 L CA -3.235 51.662 54.840 0.095 0.000 0.818 217 L CB 0.201 42.341 42.059 0.135 0.000 1.316 217 L HN 0.424 8.692 8.230 0.063 0.000 0.432 218 P HA -0.085 4.372 4.420 0.062 0.000 0.266 218 P C -1.481 175.860 177.300 0.068 0.000 1.195 218 P CA 0.124 63.264 63.100 0.067 0.000 0.768 218 P CB 0.548 32.289 31.700 0.068 0.000 0.838 219 K N 3.693 124.131 120.400 0.063 0.000 2.339 219 K HA -0.175 4.182 4.320 0.061 0.000 0.286 219 K C -1.792 174.847 176.600 0.066 0.000 1.050 219 K CA 0.548 56.873 56.287 0.062 0.000 0.956 219 K CB 0.403 32.939 32.500 0.060 0.000 0.990 219 K HN 0.281 8.567 8.250 0.060 0.000 0.475 220 V N 7.202 127.157 119.914 0.067 0.000 2.623 220 V HA 0.539 4.911 4.120 0.069 -0.211 0.304 220 V C -1.390 174.741 176.094 0.062 0.000 1.054 220 V CA -1.572 60.771 62.300 0.071 0.000 0.882 220 V CB 3.334 35.210 31.823 0.087 0.000 1.002 220 V HN 0.393 8.622 8.190 0.066 0.000 0.424 221 D N 5.849 126.281 120.400 0.053 0.000 2.340 221 D HA 0.409 5.072 4.640 0.039 0.000 0.243 221 D C -1.736 174.590 176.300 0.043 0.000 0.988 221 D CA -1.472 52.551 54.000 0.037 0.000 0.959 221 D CB 4.103 44.913 40.800 0.016 0.000 1.226 221 D HN -0.190 8.213 8.370 0.054 0.000 0.509 222 I N -0.430 120.163 120.570 0.039 0.000 2.406 222 I HA 0.707 5.158 4.170 0.070 -0.239 0.290 222 I C -0.257 175.890 176.117 0.050 0.000 0.999 222 I CA -1.128 60.207 61.300 0.058 0.000 1.124 222 I CB 1.865 39.906 38.000 0.068 0.000 1.289 222 I HN 0.149 8.377 8.210 0.031 0.000 0.441 223 L N 6.665 127.927 121.223 0.066 0.000 2.346 223 L HA 0.434 4.813 4.340 0.064 0.000 0.276 223 L C -1.368 175.631 176.870 0.216 0.000 1.006 223 L CA -1.463 53.419 54.840 0.070 0.000 0.817 223 L CB 2.957 44.922 42.059 -0.156 0.000 1.272 223 L HN 0.288 8.571 8.230 0.087 0.000 0.421 224 Y N 3.706 124.076 120.300 0.117 0.000 2.301 224 Y HA -0.025 4.540 4.550 0.026 0.000 0.328 224 Y C 0.297 176.380 175.900 0.304 0.000 1.242 224 Y CA 0.381 58.569 58.100 0.147 0.000 1.323 224 Y CB 1.775 40.316 38.460 0.135 0.000 1.266 224 Y HN 0.254 8.747 8.280 0.355 0.000 0.527 225 G N 4.191 112.925 108.800 -0.110 0.000 2.416 225 G HA2 0.231 4.123 3.960 -0.114 0.000 0.324 225 G HA3 0.231 4.328 3.960 0.229 0.000 0.324 225 G C -2.821 172.160 174.900 0.135 0.000 1.194 225 G CA -0.558 44.568 45.100 0.043 0.000 0.922 225 G HN -0.044 7.866 8.290 -0.632 0.000 0.467 226 Y N -3.445 116.881 120.300 0.044 0.000 2.774 226 Y HA 0.011 4.575 4.550 0.024 0.000 0.346 226 Y C -2.173 173.767 175.900 0.067 0.000 1.222 226 Y CA -2.193 55.945 58.100 0.063 0.000 1.088 226 Y CB 0.237 38.790 38.460 0.157 0.000 1.354 226 Y HN -0.408 7.819 8.280 -0.089 0.000 0.455 227 Q N 2.345 122.247 119.800 0.170 0.000 2.315 227 Q HA -0.150 4.198 4.340 0.014 0.000 0.289 227 Q C -0.000 176.010 176.000 0.017 0.000 1.044 227 Q CA 2.127 57.971 55.803 0.067 0.000 0.920 227 Q CB 0.069 28.866 28.738 0.099 0.000 1.214 227 Q HN 0.158 8.572 8.270 0.241 0.000 0.392 228 D N -2.340 118.023 120.400 -0.062 0.000 3.041 228 D HA -0.257 4.346 4.640 -0.062 0.000 0.220 228 D C -0.707 175.449 176.300 -0.239 0.000 1.157 228 D CA 0.984 54.940 54.000 -0.073 0.000 0.876 228 D CB -0.985 39.838 40.800 0.039 0.000 1.107 228 D HN 0.276 8.613 8.370 -0.055 0.000 0.422 229 D N -1.508 118.579 120.400 -0.521 0.000 2.488 229 D HA -0.038 3.935 4.640 -1.112 0.000 0.238 229 D C -1.571 174.532 176.300 -0.330 0.000 1.138 229 D CA -0.798 52.751 54.000 -0.752 0.000 0.873 229 D CB -0.023 40.333 40.800 -0.739 0.000 1.183 229 D HN -0.649 7.408 8.370 -0.459 0.038 0.458 230 P HA 0.200 4.442 4.420 -0.297 0.000 0.292 230 P C 0.059 177.176 177.300 -0.304 0.000 1.283 230 P CA -0.895 61.950 63.100 -0.425 0.000 0.835 230 P CB 2.153 33.235 31.700 -1.029 0.000 1.017 231 E N 3.647 123.740 120.200 -0.179 0.000 2.153 231 E HA -0.393 3.999 4.350 0.071 0.000 0.194 231 E C 1.330 177.970 176.600 0.066 0.000 0.988 231 E CA 3.208 59.604 56.400 -0.006 0.000 0.811 231 E CB -0.176 29.512 29.700 -0.020 0.000 0.746 231 E HN 0.615 8.877 8.360 -0.164 0.000 0.466 232 Y N -5.692 114.684 120.300 0.127 0.000 2.403 232 Y HA -0.240 nan 4.550 nan 0.000 0.291 232 Y C 0.734 176.698 175.900 0.106 0.000 1.143 232 Y CA 0.913 59.075 58.100 0.104 0.000 1.257 232 Y CB -1.421 37.082 38.460 0.071 0.000 0.984 232 Y HN -0.080 7.924 8.280 -0.403 0.035 0.550 233 L N -1.045 120.168 121.223 -0.016 0.000 2.156 233 L HA -0.391 4.027 4.340 0.131 0.000 0.208 233 L C 1.975 178.813 176.870 -0.054 0.000 1.095 233 L CA 2.391 57.234 54.840 0.005 0.000 0.770 233 L CB -0.693 41.294 42.059 -0.121 0.000 0.914 233 L HN -0.636 7.376 8.230 -0.310 0.032 0.439 234 Y N -1.078 119.228 120.300 0.011 0.000 2.145 234 Y HA -0.538 4.029 4.550 0.028 0.000 0.286 234 Y C 2.177 178.110 175.900 0.055 0.000 1.145 234 Y CA 3.835 61.947 58.100 0.020 0.000 1.148 234 Y CB -0.873 37.574 38.460 -0.022 0.000 0.981 234 Y HN -0.680 7.710 8.280 0.182 0.000 0.507 235 D N -1.602 118.935 120.400 0.227 0.000 2.123 235 D HA -0.419 4.310 4.640 0.149 0.000 0.196 235 D C 2.008 178.409 176.300 0.167 0.000 0.992 235 D CA 3.368 57.471 54.000 0.171 0.000 0.833 235 D CB -0.699 40.202 40.800 0.168 0.000 0.954 235 D HN -0.665 7.856 8.370 0.251 0.000 0.455 236 A N -0.639 122.293 122.820 0.187 0.000 1.898 236 A HA -0.285 4.197 4.320 0.270 0.000 0.216 236 A C 1.759 179.494 177.584 0.251 0.000 1.181 236 A CA 3.006 55.179 52.037 0.228 0.000 0.620 236 A CB -0.645 18.460 19.000 0.175 0.000 0.819 236 A HN -0.332 7.920 8.150 0.191 0.012 0.442 237 A N -0.646 122.252 122.820 0.131 0.000 1.877 237 A HA -0.350 4.035 4.320 0.109 0.000 0.216 237 A C 1.952 179.618 177.584 0.136 0.000 1.186 237 A CA 2.944 55.045 52.037 0.108 0.000 0.620 237 A CB -0.533 18.484 19.000 0.029 0.000 0.822 237 A HN -0.480 7.725 8.150 0.093 0.000 0.443 238 I N -1.386 119.258 120.570 0.123 0.000 2.118 238 I HA -0.565 3.658 4.170 0.088 0.000 0.241 238 I C 2.575 178.739 176.117 0.078 0.000 1.070 238 I CA 3.851 65.209 61.300 0.097 0.000 1.327 238 I CB -0.231 37.823 38.000 0.091 0.000 1.034 238 I HN -0.259 8.027 8.210 0.127 0.000 0.405 239 Q N 0.416 120.266 119.800 0.082 0.000 2.226 239 Q HA -0.229 nan 4.340 nan 0.000 0.204 239 Q C 1.474 177.393 176.000 -0.135 0.000 0.975 239 Q CA 2.197 57.989 55.803 -0.018 0.000 0.866 239 Q CB -0.188 28.530 28.738 -0.032 0.000 0.915 239 Q HN -0.199 8.141 8.270 0.116 0.000 0.440 240 H N -3.135 115.955 119.070 0.034 0.000 2.538 240 H HA 0.096 4.668 4.556 0.027 0.000 0.286 240 H C -0.347 174.998 175.328 0.029 0.000 1.035 240 H CA -0.170 55.895 56.048 0.029 0.000 1.169 240 H CB -0.218 29.561 29.762 0.028 0.000 1.417 240 H HN -0.622 7.658 8.280 0.228 0.136 0.567 241 G N 0.010 108.860 108.800 0.084 0.000 2.136 241 G HA2 -0.329 3.664 3.960 0.056 0.000 0.242 241 G HA3 -0.329 3.658 3.960 0.045 0.000 0.242 241 G C 0.032 174.975 174.900 0.071 0.000 0.989 241 G CA 0.167 45.304 45.100 0.062 0.000 0.682 241 G HN -0.469 7.689 8.290 0.071 0.174 0.522 242 V N -4.417 115.546 119.914 0.083 0.000 2.901 242 V HA -0.188 3.974 4.120 0.071 0.000 0.307 242 V C -0.603 175.529 176.094 0.063 0.000 1.084 242 V CA 0.516 62.859 62.300 0.072 0.000 1.184 242 V CB -0.279 31.587 31.823 0.071 0.000 0.941 242 V HN -0.778 7.470 8.190 0.096 0.000 0.493 243 K N 1.670 122.107 120.400 0.062 0.000 2.284 243 K HA 0.122 4.474 4.320 0.055 0.000 0.198 243 K C 0.102 176.739 176.600 0.061 0.000 1.048 243 K CA 0.102 56.424 56.287 0.059 0.000 0.987 243 K CB 1.316 33.852 32.500 0.060 0.000 0.800 243 K HN 0.260 8.548 8.250 0.063 0.000 0.486 244 G N -3.286 105.553 108.800 0.065 0.000 2.690 244 G HA2 0.699 4.700 3.960 0.069 0.000 0.293 244 G HA3 0.699 4.881 3.960 0.059 -0.187 0.293 244 G C -3.215 171.725 174.900 0.068 0.000 1.399 244 G CA -0.248 44.891 45.100 0.065 0.000 0.890 244 G HN -0.662 7.668 8.290 0.066 0.000 0.485 245 I N 0.028 120.640 120.570 0.071 0.000 2.466 245 I HA 0.606 5.000 4.170 0.067 -0.183 0.289 245 I C -1.575 174.598 176.117 0.093 0.000 1.026 245 I CA -1.052 60.295 61.300 0.078 0.000 1.078 245 I CB 3.819 41.875 38.000 0.093 0.000 1.249 245 I HN 0.350 8.599 8.210 0.066 0.000 0.429 246 V N 7.249 127.223 119.914 0.100 0.000 2.407 246 V HA 0.425 4.797 4.120 0.109 -0.187 0.278 246 V C -1.495 174.698 176.094 0.166 0.000 1.037 246 V CA -1.756 60.614 62.300 0.117 0.000 0.900 246 V CB 1.126 33.016 31.823 0.111 0.000 0.983 246 V HN 0.557 8.801 8.190 0.089 0.000 0.459 247 Y N 9.473 129.796 120.300 0.038 0.000 2.385 247 Y HA 0.373 5.117 4.550 0.044 -0.168 0.341 247 Y C -2.208 173.702 175.900 0.017 0.000 0.965 247 Y CA -2.796 55.330 58.100 0.043 0.000 1.180 247 Y CB 1.773 40.277 38.460 0.073 0.000 1.139 247 Y HN 0.597 9.024 8.280 0.243 0.000 0.502 248 A N 9.698 132.311 122.820 -0.346 0.000 2.990 248 A HA 0.194 4.329 4.320 -0.309 0.000 0.282 248 A C -1.154 175.922 177.584 -0.846 0.000 1.688 248 A CA -1.290 50.496 52.037 -0.418 0.000 1.391 248 A CB -1.436 17.468 19.000 -0.160 0.000 1.112 248 A HN 0.511 8.560 8.150 -0.169 0.000 0.588 249 G N 0.367 108.569 108.800 -0.997 0.000 2.572 249 G HA2 0.244 3.593 3.960 -1.019 0.000 0.261 249 G HA3 0.244 3.068 3.960 -1.893 0.000 0.261 249 G C -1.361 173.240 174.900 -0.499 0.000 1.197 249 G CA -1.837 42.550 45.100 -1.189 0.000 0.870 249 G HN -0.536 7.276 8.290 -0.706 0.055 0.548 250 M N 2.541 121.983 119.600 -0.264 0.000 2.252 250 M HA -0.216 4.171 4.480 -0.154 0.000 0.348 250 M C 1.315 177.571 176.300 -0.073 0.000 1.334 250 M CA 1.612 56.840 55.300 -0.120 0.000 1.071 250 M CB 0.036 32.626 32.600 -0.016 0.000 1.763 250 M HN -0.358 7.819 8.290 -0.189 0.000 0.452 251 G N 2.824 111.584 108.800 -0.067 0.000 2.652 251 G HA2 -0.453 3.495 3.960 -0.021 0.000 0.318 251 G HA3 -0.453 3.485 3.960 -0.038 0.000 0.318 251 G C -0.327 174.552 174.900 -0.035 0.000 1.295 251 G CA 0.886 45.963 45.100 -0.038 0.000 0.999 251 G HN 0.461 8.705 8.290 -0.076 0.000 0.548 252 A N 3.833 126.649 122.820 -0.006 0.000 3.074 252 A HA 0.004 4.325 4.320 0.002 0.000 0.251 252 A C -0.366 177.236 177.584 0.030 0.000 1.695 252 A CA -1.443 50.599 52.037 0.009 0.000 1.343 252 A CB -1.332 17.678 19.000 0.016 0.000 1.078 252 A HN 0.369 8.519 8.150 -0.001 0.000 0.644 253 G N -0.778 108.036 108.800 0.023 0.000 2.179 253 G HA2 -0.448 3.580 3.960 0.114 0.000 0.257 253 G HA3 -0.448 3.704 3.960 0.075 -0.147 0.257 253 G C -0.346 174.678 174.900 0.207 0.000 1.010 253 G CA 0.262 45.426 45.100 0.107 0.000 0.736 253 G HN -0.365 7.837 8.290 -0.021 0.075 0.513 254 S N -0.966 114.818 115.700 0.141 0.000 2.576 254 S HA 0.242 nan 4.470 nan 0.000 0.276 254 S C -0.886 173.830 174.600 0.192 0.000 1.339 254 S CA -0.025 58.246 58.200 0.119 0.000 1.039 254 S CB 1.246 64.480 63.200 0.058 0.000 0.902 254 S HN -0.078 8.254 8.310 0.084 0.028 0.516 255 V N 2.478 122.428 119.914 0.059 0.000 2.531 255 V HA 0.334 4.450 4.120 -0.006 0.000 0.301 255 V C 0.295 176.348 176.094 -0.068 0.000 1.034 255 V CA -1.833 60.436 62.300 -0.052 0.000 0.865 255 V CB 2.534 34.226 31.823 -0.219 0.000 0.995 255 V HN 0.345 8.550 8.190 0.025 0.000 0.424 256 S N 7.739 123.396 115.700 -0.073 0.000 2.596 256 S HA -0.011 4.425 4.470 -0.057 0.000 0.260 256 S C 0.996 175.526 174.600 -0.117 0.000 1.336 256 S CA -0.257 57.896 58.200 -0.080 0.000 0.993 256 S CB 1.101 64.253 63.200 -0.079 0.000 0.923 256 S HN 0.154 8.430 8.310 -0.056 0.000 0.567 257 V N 2.205 122.063 119.914 -0.094 0.000 2.469 257 V HA -0.283 nan 4.120 nan 0.000 0.251 257 V C 1.644 177.659 176.094 -0.131 0.000 1.064 257 V CA 2.893 65.133 62.300 -0.100 0.000 1.066 257 V CB -0.258 31.524 31.823 -0.069 0.000 0.667 257 V HN 0.472 8.617 8.190 -0.075 0.000 0.461 258 R N -1.016 119.404 120.500 -0.134 0.000 2.073 258 R HA -0.287 3.972 4.340 -0.136 0.000 0.229 258 R C 2.453 178.595 176.300 -0.262 0.000 1.120 258 R CA 3.290 59.298 56.100 -0.154 0.000 0.967 258 R CB -0.362 29.866 30.300 -0.120 0.000 0.862 258 R HN -0.598 7.580 8.270 -0.117 0.022 0.436 259 G N -0.475 108.149 108.800 -0.293 0.000 2.422 259 G HA2 -0.253 3.441 3.960 -0.444 0.000 0.218 259 G HA3 -0.253 3.267 3.960 -0.734 0.000 0.218 259 G C 1.034 175.561 174.900 -0.622 0.000 1.146 259 G CA 1.858 46.638 45.100 -0.534 0.000 0.769 259 G HN -0.356 7.802 8.290 -0.219 0.000 0.547 260 I N 2.242 122.585 120.570 -0.378 0.000 2.226 260 I HA -0.505 3.470 4.170 -0.326 0.000 0.245 260 I C 1.373 177.314 176.117 -0.294 0.000 1.100 260 I CA 3.878 64.997 61.300 -0.303 0.000 1.374 260 I CB -0.187 37.698 38.000 -0.192 0.000 1.057 260 I HN -0.152 7.877 8.210 -0.301 0.000 0.413 261 A N -1.147 121.518 122.820 -0.259 0.000 1.902 261 A HA -0.304 3.921 4.320 -0.160 0.000 0.217 261 A C 2.177 179.607 177.584 -0.257 0.000 1.181 261 A CA 3.381 55.296 52.037 -0.203 0.000 0.623 261 A CB -0.997 17.915 19.000 -0.145 0.000 0.818 261 A HN -0.446 7.557 8.150 -0.244 0.000 0.443 262 G N -2.124 106.410 108.800 -0.442 0.000 2.421 262 G HA2 -0.388 2.980 3.960 -0.986 0.000 0.216 262 G HA3 -0.388 3.431 3.960 -0.235 0.000 0.216 262 G C 1.381 176.009 174.900 -0.453 0.000 1.171 262 G CA 1.843 46.618 45.100 -0.542 0.000 0.775 262 G HN -0.369 7.619 8.290 -0.503 0.000 0.543 263 M N 1.673 120.919 119.600 -0.589 0.000 2.159 263 M HA -0.437 3.950 4.480 -0.155 0.000 0.263 263 M C 2.221 178.433 176.300 -0.147 0.000 1.063 263 M CA 4.076 59.209 55.300 -0.278 0.000 1.110 263 M CB -0.179 32.243 32.600 -0.297 0.000 1.374 263 M HN -0.163 7.671 8.290 -0.760 0.000 0.411 264 R N -1.322 119.083 120.500 -0.158 0.000 2.092 264 R HA -0.343 nan 4.340 nan 0.000 0.231 264 R C 2.315 178.579 176.300 -0.061 0.000 1.119 264 R CA 3.701 59.744 56.100 -0.095 0.000 0.970 264 R CB -0.352 29.892 30.300 -0.094 0.000 0.864 264 R HN -0.101 8.046 8.270 -0.205 0.000 0.440 265 K N -0.948 119.415 120.400 -0.061 0.000 2.057 265 K HA -0.300 4.010 4.320 -0.017 0.000 0.207 265 K C 2.175 178.778 176.600 0.006 0.000 1.049 265 K CA 3.407 59.682 56.287 -0.019 0.000 0.931 265 K CB -0.240 32.258 32.500 -0.005 0.000 0.714 265 K HN -0.609 7.586 8.250 -0.091 0.000 0.440 266 A N -0.453 122.378 122.820 0.017 0.000 1.877 266 A HA -0.326 4.029 4.320 0.057 0.000 0.216 266 A C 1.962 179.560 177.584 0.023 0.000 1.186 266 A CA 3.089 55.153 52.037 0.046 0.000 0.620 266 A CB -0.546 18.506 19.000 0.087 0.000 0.822 266 A HN -0.554 7.596 8.150 0.001 0.000 0.443 267 L N -2.293 118.931 121.223 0.002 0.000 2.079 267 L HA -0.314 4.182 4.340 0.003 -0.154 0.210 267 L C 3.330 180.200 176.870 -0.001 0.000 1.081 267 L CA 2.628 57.466 54.840 -0.003 0.000 0.752 267 L CB -0.368 41.679 42.059 -0.019 0.000 0.896 267 L HN -0.114 8.110 8.230 -0.011 0.000 0.433 268 E N -1.399 118.799 120.200 -0.004 0.000 2.265 268 E HA -0.239 4.110 4.350 -0.003 0.000 0.196 268 E C 1.086 177.690 176.600 0.006 0.000 0.996 268 E CA 2.453 58.852 56.400 -0.001 0.000 0.832 268 E CB -0.249 29.447 29.700 -0.005 0.000 0.756 268 E HN -0.441 7.914 8.360 -0.008 0.000 0.491 269 K N -3.665 116.743 120.400 0.013 0.000 2.417 269 K HA 0.150 4.479 4.320 0.016 0.000 0.196 269 K C 0.408 177.020 176.600 0.021 0.000 1.023 269 K CA -1.310 54.989 56.287 0.019 0.000 1.122 269 K CB 0.164 32.680 32.500 0.026 0.000 0.850 269 K HN -0.636 7.482 8.250 0.015 0.141 0.521 270 G N -1.657 107.154 108.800 0.019 0.000 2.159 270 G HA2 -0.313 3.660 3.960 0.022 0.000 0.256 270 G HA3 -0.313 3.657 3.960 0.017 0.000 0.256 270 G C -0.168 174.749 174.900 0.028 0.000 0.977 270 G CA 0.081 45.193 45.100 0.021 0.000 0.652 270 G HN -0.483 7.634 8.290 0.015 0.182 0.531 271 V N 1.419 121.352 119.914 0.032 0.000 2.555 271 V HA -0.149 4.133 4.120 0.043 -0.135 0.286 271 V C 0.084 176.198 176.094 0.033 0.000 1.044 271 V CA -0.066 62.258 62.300 0.041 0.000 1.026 271 V CB 0.223 32.078 31.823 0.053 0.000 0.981 271 V HN -0.516 7.636 8.190 0.031 0.056 0.480 272 V N 7.570 127.505 119.914 0.035 0.000 2.488 272 V HA -0.019 4.107 4.120 0.010 0.000 0.277 272 V C -1.431 174.674 176.094 0.019 0.000 1.046 272 V CA -0.775 61.537 62.300 0.020 0.000 0.986 272 V CB 0.188 32.024 31.823 0.023 0.000 0.989 272 V HN 0.038 8.253 8.190 0.042 0.000 0.475 273 V N 8.269 128.185 119.914 0.003 0.000 2.394 273 V HA 0.425 4.737 4.120 0.040 -0.168 0.282 273 V C -1.258 174.817 176.094 -0.031 0.000 1.031 273 V CA -1.644 60.664 62.300 0.013 0.000 0.881 273 V CB 1.493 33.324 31.823 0.013 0.000 0.982 273 V HN 0.470 8.656 8.190 -0.007 0.000 0.451 274 M N 9.224 128.811 119.600 -0.022 0.000 2.134 274 M HA 0.431 4.813 4.480 -0.163 0.000 0.310 274 M C -2.712 173.599 176.300 0.018 0.000 0.966 274 M CA -1.897 53.341 55.300 -0.103 0.000 0.922 274 M CB 2.856 35.330 32.600 -0.211 0.000 1.537 274 M HN 0.790 9.095 8.290 0.025 0.000 0.424 275 R N 7.544 128.064 120.500 0.033 0.000 2.196 275 R HA 0.263 4.773 4.340 0.284 0.000 0.340 275 R C -1.093 175.253 176.300 0.076 0.000 1.043 275 R CA -0.265 55.928 56.100 0.156 0.000 0.883 275 R CB 0.117 30.524 30.300 0.177 0.000 1.078 275 R HN 0.574 8.723 8.270 -0.023 0.107 0.462 276 S N 1.816 117.546 115.700 0.049 0.000 2.618 276 S HA 0.382 4.873 4.470 0.034 0.000 0.284 276 S C -1.888 172.657 174.600 -0.093 0.000 1.102 276 S CA -1.758 56.444 58.200 0.005 0.000 0.984 276 S CB 1.622 64.840 63.200 0.030 0.000 1.280 276 S HN 0.274 8.621 8.310 0.062 0.000 0.525 277 T N -1.887 112.602 114.554 -0.108 0.000 2.933 277 T HA 0.361 4.778 4.350 -0.233 -0.208 0.305 277 T C 0.001 174.597 174.700 -0.174 0.000 1.092 277 T CA -1.564 60.441 62.100 -0.159 0.000 1.008 277 T CB 2.034 70.853 68.868 -0.081 0.000 1.102 277 T HN 0.104 8.304 8.240 -0.067 0.000 0.469 278 R N 5.179 125.524 120.500 -0.259 0.000 2.299 278 R HA 0.101 nan 4.340 nan 0.000 0.197 278 R C 1.313 177.556 176.300 -0.094 0.000 0.971 278 R CA 1.924 57.892 56.100 -0.221 0.000 1.030 278 R CB -0.073 29.919 30.300 -0.513 0.000 0.932 278 R HN 0.539 8.618 8.270 -0.318 0.000 0.477 279 T N -2.090 112.412 114.554 -0.087 0.000 2.821 279 T HA -0.117 4.207 4.350 -0.043 0.000 0.267 279 T C 0.942 175.623 174.700 -0.032 0.000 1.046 279 T CA 1.942 64.013 62.100 -0.049 0.000 1.139 279 T CB 0.372 69.212 68.868 -0.046 0.000 0.871 279 T HN -0.530 7.577 8.240 -0.102 0.072 0.454 280 G N 0.513 109.293 108.800 -0.033 0.000 2.380 280 G HA2 -0.194 3.748 3.960 -0.031 0.000 0.197 280 G HA3 -0.194 3.747 3.960 -0.032 0.000 0.197 280 G C -1.225 173.657 174.900 -0.029 0.000 1.001 280 G CA -0.416 44.666 45.100 -0.031 0.000 0.668 280 G HN 0.307 8.574 8.290 -0.039 0.000 0.483 281 N N 0.470 119.154 118.700 -0.026 0.000 2.710 281 N HA 0.154 4.882 4.740 -0.020 0.000 0.257 281 N C -1.246 174.254 175.510 -0.016 0.000 1.327 281 N CA 0.018 53.053 53.050 -0.024 0.000 0.861 281 N CB 2.652 41.117 38.487 -0.036 0.000 1.532 281 N HN -0.685 7.679 8.380 -0.027 0.000 0.499 282 G N -0.896 107.897 108.800 -0.012 0.000 2.631 282 G HA2 -0.242 3.713 3.960 -0.008 0.000 0.504 282 G HA3 -0.242 3.710 3.960 -0.013 0.000 0.504 282 G C -1.689 173.224 174.900 0.022 0.000 1.306 282 G CA -0.676 44.421 45.100 -0.004 0.000 0.897 282 G HN 0.216 8.497 8.290 -0.015 0.000 0.520 283 I N 0.574 121.161 120.570 0.029 0.000 2.331 283 I HA 0.053 4.439 4.170 0.077 -0.169 0.292 283 I C 0.260 176.411 176.117 0.056 0.000 0.998 283 I CA -1.699 59.635 61.300 0.057 0.000 1.267 283 I CB 0.169 38.202 38.000 0.055 0.000 1.386 283 I HN -0.013 8.207 8.210 0.018 0.000 0.476 284 V N 8.535 128.494 119.914 0.076 0.000 2.368 284 V HA 0.304 4.455 4.120 0.052 0.000 0.266 284 V C -1.698 174.451 176.094 0.093 0.000 1.045 284 V CA -3.605 58.737 62.300 0.070 0.000 0.899 284 V CB -0.170 31.692 31.823 0.065 0.000 1.006 284 V HN 0.160 8.405 8.190 0.092 0.000 0.470 285 P HA 0.392 4.874 4.420 0.103 0.000 0.279 285 P C -2.009 175.340 177.300 0.081 0.000 1.252 285 P CA -2.685 60.464 63.100 0.081 0.000 0.811 285 P CB -0.649 31.080 31.700 0.049 0.000 1.035 286 P HA 0.098 4.566 4.420 0.079 0.000 0.269 286 P C -1.567 175.759 177.300 0.044 0.000 1.209 286 P CA 0.212 63.357 63.100 0.076 0.000 0.776 286 P CB 0.340 32.091 31.700 0.085 0.000 0.876 287 D N 0.797 121.216 120.400 0.033 0.000 2.365 287 D HA 0.078 4.729 4.640 0.017 0.000 0.235 287 D C 0.605 176.911 176.300 0.009 0.000 1.368 287 D CA -0.499 53.512 54.000 0.018 0.000 1.001 287 D CB 0.965 41.775 40.800 0.016 0.000 1.364 287 D HN -0.372 8.018 8.370 0.034 0.000 0.577 288 E N 4.234 124.438 120.200 0.007 0.000 2.409 288 E HA -0.255 4.095 4.350 0.001 0.000 0.198 288 E C 0.227 176.822 176.600 -0.008 0.000 1.024 288 E CA 1.531 57.931 56.400 0.001 0.000 0.861 288 E CB -0.314 29.387 29.700 0.002 0.000 0.788 288 E HN 0.330 8.695 8.360 0.009 0.000 0.521 289 E N -1.999 118.196 120.200 -0.009 0.000 2.481 289 E HA -0.069 4.270 4.350 -0.018 0.000 0.195 289 E C -0.058 176.526 176.600 -0.026 0.000 1.047 289 E CA 0.234 56.624 56.400 -0.016 0.000 0.867 289 E CB 0.375 30.066 29.700 -0.014 0.000 0.858 289 E HN -0.426 8.145 8.360 -0.005 -0.214 0.513 290 L N 0.375 121.583 121.223 -0.025 0.000 2.334 290 L HA 0.377 4.687 4.340 -0.051 0.000 0.272 290 L C -2.257 174.586 176.870 -0.045 0.000 1.020 290 L CA -2.911 51.906 54.840 -0.039 0.000 0.812 290 L CB 0.576 42.618 42.059 -0.029 0.000 1.264 290 L HN -0.671 7.492 8.230 -0.017 0.057 0.439 291 P HA 0.039 4.425 4.420 -0.057 0.000 0.272 291 P C -0.599 176.667 177.300 -0.056 0.000 1.230 291 P CA -0.028 63.031 63.100 -0.069 0.000 0.788 291 P CB 0.569 32.206 31.700 -0.104 0.000 0.949 292 G N -1.385 107.387 108.800 -0.046 0.000 2.760 292 G HA2 -0.253 3.682 3.960 -0.042 0.000 0.246 292 G HA3 -0.253 3.682 3.960 -0.041 0.000 0.246 292 G C -1.202 173.672 174.900 -0.043 0.000 1.359 292 G CA -0.505 44.569 45.100 -0.043 0.000 0.861 292 G HN -0.155 8.108 8.290 -0.044 0.000 0.541 293 L N -1.220 119.961 121.223 -0.070 0.000 2.416 293 L HA 0.480 4.780 4.340 -0.066 0.000 0.263 293 L C -0.014 176.795 176.870 -0.101 0.000 1.065 293 L CA -1.074 53.705 54.840 -0.101 0.000 0.798 293 L CB 2.251 44.196 42.059 -0.189 0.000 1.267 293 L HN 0.104 8.287 8.230 -0.078 0.000 0.467 294 V N -5.711 114.141 119.914 -0.104 0.000 2.864 294 V HA 0.648 4.903 4.120 -0.034 -0.155 0.314 294 V C -0.698 175.342 176.094 -0.089 0.000 1.073 294 V CA -2.756 59.515 62.300 -0.048 0.000 0.956 294 V CB 2.940 34.791 31.823 0.047 0.000 1.023 294 V HN 0.023 8.461 8.190 -0.111 -0.314 0.435 295 S N -0.290 115.418 115.700 0.014 0.000 2.605 295 S HA 0.059 4.627 4.470 0.162 0.000 0.217 295 S C 0.167 174.932 174.600 0.276 0.000 0.958 295 S CA -0.065 58.233 58.200 0.163 0.000 0.919 295 S CB 1.316 64.624 63.200 0.180 0.000 0.780 295 S HN -0.019 8.314 8.310 0.038 0.000 0.507 296 D N 1.332 121.860 120.400 0.214 0.000 3.528 296 D HA -0.466 4.340 4.640 0.277 0.000 0.163 296 D C -0.469 175.946 176.300 0.191 0.000 1.069 296 D CA 2.587 56.743 54.000 0.259 0.000 1.082 296 D CB -1.083 39.917 40.800 0.335 0.000 0.538 296 D HN -0.686 7.730 8.370 0.177 0.061 0.579 297 S N 0.167 115.977 115.700 0.183 0.000 2.597 297 S HA 0.304 5.073 4.470 0.105 -0.236 0.224 297 S C 0.505 175.189 174.600 0.139 0.000 0.955 297 S CA 0.156 58.435 58.200 0.132 0.000 0.933 297 S CB 0.082 63.344 63.200 0.104 0.000 0.788 297 S HN 0.143 8.577 8.310 0.208 0.000 0.488 298 L N 4.294 125.620 121.223 0.173 0.000 2.360 298 L HA -0.071 nan 4.340 nan 0.000 0.276 298 L C -0.921 176.036 176.870 0.145 0.000 1.121 298 L CA 0.133 55.071 54.840 0.164 0.000 0.845 298 L CB 0.328 42.517 42.059 0.216 0.000 1.143 298 L HN -0.495 7.791 8.230 0.209 0.069 0.452 299 N N 3.592 122.354 118.700 0.103 0.000 2.317 299 N HA 0.106 4.865 4.740 0.032 0.000 0.245 299 N C -0.426 175.113 175.510 0.048 0.000 1.294 299 N CA -1.555 51.514 53.050 0.032 0.000 0.924 299 N CB -0.860 37.601 38.487 -0.043 0.000 1.186 299 N HN -0.122 8.333 8.380 0.124 0.000 0.495 300 P HA -0.254 4.212 4.420 0.076 0.000 0.215 300 P C 0.679 178.020 177.300 0.068 0.000 1.153 300 P CA 3.281 66.412 63.100 0.051 0.000 0.853 300 P CB -0.103 31.615 31.700 0.029 0.000 0.788 301 A N -3.111 119.709 122.820 -0.000 0.000 1.902 301 A HA -0.316 4.031 4.320 0.046 0.000 0.217 301 A C 1.835 179.482 177.584 0.105 0.000 1.181 301 A CA 2.740 54.780 52.037 0.006 0.000 0.623 301 A CB -0.756 18.188 19.000 -0.093 0.000 0.818 301 A HN 0.100 8.274 8.150 -0.044 -0.050 0.443 302 H N -1.335 117.771 119.070 0.059 0.000 2.357 302 H HA -0.338 nan 4.556 nan 0.000 0.301 302 H C 2.232 177.672 175.328 0.187 0.000 1.082 302 H CA 2.391 58.476 56.048 0.060 0.000 1.342 302 H CB 0.251 29.871 29.762 -0.237 0.000 1.389 302 H HN -0.226 8.323 8.280 -0.079 -0.317 0.511 303 A N -1.143 121.869 122.820 0.320 0.000 1.933 303 A HA -0.402 4.238 4.320 0.533 0.000 0.218 303 A C 1.384 179.201 177.584 0.388 0.000 1.175 303 A CA 3.550 55.850 52.037 0.439 0.000 0.628 303 A CB -0.695 18.547 19.000 0.403 0.000 0.814 303 A HN 0.347 8.654 8.150 0.262 0.000 0.444 304 R N -1.751 118.903 120.500 0.257 0.000 2.073 304 R HA -0.320 4.138 4.340 0.198 0.000 0.234 304 R C 1.916 178.326 176.300 0.184 0.000 1.134 304 R CA 3.422 59.642 56.100 0.200 0.000 0.952 304 R CB -0.011 30.376 30.300 0.145 0.000 0.850 304 R HN -0.466 7.939 8.270 0.226 0.000 0.433 305 I N -0.837 119.854 120.570 0.201 0.000 2.163 305 I HA -0.315 3.944 4.170 0.148 0.000 0.243 305 I C 2.323 178.405 176.117 -0.058 0.000 1.085 305 I CA 2.566 63.948 61.300 0.137 0.000 1.347 305 I CB -1.151 36.986 38.000 0.228 0.000 1.044 305 I HN -0.682 7.675 8.210 0.244 0.000 0.408 306 L N -0.358 120.833 121.223 -0.053 0.000 2.093 306 L HA -0.250 3.713 4.340 -0.628 0.000 0.208 306 L C 1.946 178.725 176.870 -0.152 0.000 1.085 306 L CA 3.211 57.843 54.840 -0.348 0.000 0.755 306 L CB -0.459 41.286 42.059 -0.524 0.000 0.904 306 L HN -0.467 7.840 8.230 0.128 0.000 0.435 307 L N -0.515 120.841 121.223 0.222 0.000 2.056 307 L HA -0.361 4.222 4.340 0.405 0.000 0.207 307 L C 1.648 178.580 176.870 0.103 0.000 1.078 307 L CA 3.076 58.089 54.840 0.287 0.000 0.749 307 L CB -0.424 41.809 42.059 0.289 0.000 0.901 307 L HN -0.136 8.275 8.230 0.300 0.000 0.433 308 M N -1.521 118.111 119.600 0.054 0.000 2.080 308 M HA -0.523 nan 4.480 nan 0.000 0.260 308 M C 2.495 178.767 176.300 -0.047 0.000 1.068 308 M CA 4.446 59.768 55.300 0.036 0.000 1.109 308 M CB -0.097 32.549 32.600 0.077 0.000 1.342 308 M HN -0.422 7.912 8.290 0.074 0.000 0.405 309 L N -2.628 118.451 121.223 -0.241 0.000 2.056 309 L HA -0.327 3.846 4.340 -0.278 0.000 0.207 309 L C 2.526 179.209 176.870 -0.311 0.000 1.078 309 L CA 2.525 57.086 54.840 -0.465 0.000 0.749 309 L CB -0.451 40.976 42.059 -1.054 0.000 0.901 309 L HN -0.572 7.492 8.230 -0.276 0.000 0.433 310 A N 0.026 122.712 122.820 -0.222 0.000 1.917 310 A HA -0.318 4.267 4.320 0.442 0.000 0.219 310 A C 2.097 179.833 177.584 0.254 0.000 1.182 310 A CA 2.954 55.131 52.037 0.232 0.000 0.633 310 A CB -0.674 18.576 19.000 0.416 0.000 0.819 310 A HN 0.164 8.137 8.150 -0.296 0.000 0.448 311 L N -4.044 117.265 121.223 0.144 0.000 2.456 311 L HA -0.055 4.568 4.340 0.138 -0.201 0.224 311 L C 2.190 179.125 176.870 0.108 0.000 1.148 311 L CA 1.680 56.594 54.840 0.123 0.000 0.825 311 L CB -0.467 41.649 42.059 0.095 0.000 0.937 311 L HN -0.229 8.048 8.230 0.104 0.015 0.450 312 T N -2.941 111.675 114.554 0.103 0.000 3.035 312 T HA -0.181 4.218 4.350 0.082 0.000 0.268 312 T C 1.134 175.902 174.700 0.113 0.000 1.109 312 T CA 2.265 64.423 62.100 0.096 0.000 1.119 312 T CB 0.356 69.272 68.868 0.080 0.000 0.900 312 T HN -0.437 7.703 8.240 0.091 0.154 0.503 313 R N -1.356 119.242 120.500 0.163 0.000 2.257 313 R HA 0.203 nan 4.340 nan 0.000 0.195 313 R C -0.198 176.193 176.300 0.151 0.000 0.921 313 R CA 0.644 56.840 56.100 0.161 0.000 1.069 313 R CB 2.318 32.747 30.300 0.215 0.000 1.115 313 R HN -0.372 7.849 8.270 0.197 0.168 0.571 314 T N -2.238 112.416 114.554 0.166 0.000 2.840 314 T HA 0.196 4.599 4.350 0.089 0.000 0.317 314 T C -1.636 173.124 174.700 0.101 0.000 1.401 314 T CA -1.140 61.031 62.100 0.118 0.000 1.028 314 T CB 1.109 70.043 68.868 0.110 0.000 1.317 314 T HN -0.508 7.846 8.240 0.189 0.000 0.495 315 S N 1.896 117.634 115.700 0.064 0.000 2.650 315 S HA 0.235 4.744 4.470 0.065 0.000 0.240 315 S C -0.605 174.014 174.600 0.031 0.000 1.007 315 S CA -0.839 57.393 58.200 0.053 0.000 0.984 315 S CB 0.607 63.834 63.200 0.044 0.000 0.910 315 S HN 0.309 8.651 8.310 0.054 0.000 0.509 316 D N 4.888 125.299 120.400 0.019 0.000 2.338 316 D HA 0.339 4.980 4.640 0.002 0.000 0.255 316 D C -0.962 175.329 176.300 -0.015 0.000 1.237 316 D CA -2.138 51.861 54.000 -0.002 0.000 0.883 316 D CB 1.875 42.667 40.800 -0.014 0.000 1.087 316 D HN -0.693 7.633 8.370 0.025 0.060 0.485 317 P HA -0.238 4.173 4.420 -0.015 0.000 0.218 317 P C 1.212 178.495 177.300 -0.028 0.000 1.148 317 P CA 1.759 64.849 63.100 -0.018 0.000 0.822 317 P CB 0.341 32.032 31.700 -0.016 0.000 0.784 318 K N -2.613 117.770 120.400 -0.027 0.000 2.057 318 K HA -0.268 4.048 4.320 -0.008 0.000 0.206 318 K C 2.422 178.984 176.600 -0.063 0.000 1.050 318 K CA 3.457 59.729 56.287 -0.025 0.000 0.935 318 K CB -0.412 32.079 32.500 -0.015 0.000 0.715 318 K HN -0.334 8.099 8.250 -0.023 -0.197 0.439 319 V N 0.263 120.105 119.914 -0.121 0.000 2.307 319 V HA -0.382 3.581 4.120 -0.262 0.000 0.245 319 V C 1.922 177.742 176.094 -0.457 0.000 1.045 319 V CA 3.401 65.528 62.300 -0.287 0.000 1.024 319 V CB -0.557 31.099 31.823 -0.278 0.000 0.651 319 V HN -0.754 7.532 8.190 -0.093 -0.151 0.449 320 I N -0.748 119.693 120.570 -0.216 0.000 2.208 320 I HA -0.631 3.558 4.170 0.032 0.000 0.245 320 I C 1.914 178.114 176.117 0.137 0.000 1.097 320 I CA 4.331 65.636 61.300 0.009 0.000 1.363 320 I CB -0.596 37.470 38.000 0.111 0.000 1.051 320 I HN -0.423 7.704 8.210 -0.137 0.000 0.413 321 Q N -0.497 119.318 119.800 0.025 0.000 2.096 321 Q HA -0.400 3.928 4.340 -0.019 0.000 0.204 321 Q C 2.010 178.059 176.000 0.082 0.000 0.982 321 Q CA 2.986 58.801 55.803 0.020 0.000 0.850 321 Q CB -0.571 28.172 28.738 0.009 0.000 0.901 321 Q HN -0.097 8.163 8.270 -0.017 0.000 0.422 322 E N -0.058 120.201 120.200 0.099 0.000 2.110 322 E HA -0.277 4.242 4.350 0.281 0.000 0.193 322 E C 2.606 179.400 176.600 0.324 0.000 0.988 322 E CA 2.317 58.831 56.400 0.189 0.000 0.804 322 E CB -0.586 29.169 29.700 0.091 0.000 0.745 322 E HN -0.706 7.669 8.360 0.024 0.000 0.458 323 Y N -0.820 119.665 120.300 0.308 0.000 2.165 323 Y HA -0.304 4.571 4.550 0.543 0.000 0.286 323 Y C 2.545 178.634 175.900 0.315 0.000 1.155 323 Y CA 1.065 59.413 58.100 0.414 0.000 1.164 323 Y CB -0.737 37.949 38.460 0.377 0.000 0.978 323 Y HN -0.406 7.964 8.280 0.151 0.000 0.513 324 F N -5.106 115.002 119.950 0.263 0.000 2.365 324 F HA -0.341 4.309 4.527 0.205 0.000 0.300 324 F C 0.823 176.655 175.800 0.053 0.000 1.090 324 F CA 3.442 61.505 58.000 0.105 0.000 1.408 324 F CB -0.295 38.671 39.000 -0.057 0.000 1.060 324 F HN -0.670 8.002 8.300 0.621 0.000 0.534 325 H N -6.103 113.165 119.070 0.329 0.000 2.551 325 H HA 0.328 5.219 4.556 0.207 -0.211 0.266 325 H C 0.703 176.124 175.328 0.155 0.000 0.964 325 H CA 0.798 56.974 56.048 0.213 0.000 1.180 325 H CB 0.776 30.637 29.762 0.164 0.000 1.408 325 H HN -0.659 7.619 8.280 0.223 0.136 0.563 326 T N -3.795 110.913 114.554 0.257 0.000 2.958 326 T HA 0.065 4.452 4.350 0.061 0.000 0.256 326 T C -0.756 173.878 174.700 -0.109 0.000 0.983 326 T CA 0.653 62.790 62.100 0.062 0.000 0.924 326 T CB 1.553 70.419 68.868 -0.004 0.000 1.136 326 T HN -0.535 7.725 8.240 0.316 0.170 0.506 327 Y N 0.000 120.376 120.300 0.127 0.000 2.660 327 Y HA 0.000 4.619 4.550 0.116 0.000 0.201 327 Y CA 0.000 58.168 58.100 0.113 0.000 1.940 327 Y CB 0.000 38.505 38.460 0.075 0.000 1.050 327 Y HN 0.000 8.471 8.280 0.319 0.000 0.758