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 1ney_1_A DATA FIRST_RESID 2 DATA SEQUENCE ARTFFVGGNF KLNGSKQSIK EIVERLNTAS IPENVEVVIC PPATYLDYSV DATA SEQUENCE SLVKKPQVTV GAQNAYLKAS GAFTGENSVD QIKDVGAKYV ILGHSERRSY DATA SEQUENCE FHEDDKFIAD KTKFALGQGV GVILCIGETL EEKKAGKTLD VVERQLNAVL DATA SEQUENCE EEVKDFTNVV VAYEPVXAIG TGLAATPEDA QDIHASIRKF LASKLGDKAA DATA SEQUENCE SELRILYGGS ANGSNAVTFK DKADVDGFLV GGASLKPEFV DIINSRN 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 2 A HA 0.000 4.341 4.320 0.036 0.000 0.244 2 A C 0.000 177.617 177.584 0.055 0.000 1.274 2 A CA 0.000 52.062 52.037 0.041 0.000 0.836 2 A CB 0.000 19.023 19.000 0.039 0.000 0.831 3 R N 1.609 122.150 120.500 0.069 0.000 2.387 3 R HA 0.210 4.599 4.340 0.081 0.000 0.314 3 R C -0.826 175.547 176.300 0.121 0.000 0.958 3 R CA -0.563 55.590 56.100 0.088 0.000 0.846 3 R CB 0.939 31.291 30.300 0.087 0.000 1.147 3 R HN 0.106 8.416 8.270 0.067 0.000 0.447 4 T N 5.652 120.285 114.554 0.131 0.000 2.834 4 T HA 0.042 4.487 4.350 0.159 0.000 0.298 4 T C -0.342 174.498 174.700 0.233 0.000 0.966 4 T CA 0.419 62.618 62.100 0.165 0.000 1.141 4 T CB 0.438 69.392 68.868 0.143 0.000 0.905 4 T HN 0.318 8.628 8.240 0.117 0.000 0.535 5 F N 10.014 130.010 119.950 0.077 0.000 2.608 5 F HA -0.066 4.700 4.527 0.083 -0.190 0.380 5 F C -2.200 173.675 175.800 0.127 0.000 1.083 5 F CA 0.584 58.634 58.000 0.084 0.000 1.266 5 F CB 0.776 39.807 39.000 0.052 0.000 1.076 5 F HN 0.536 9.045 8.300 0.348 0.000 0.574 6 F N 8.487 128.162 119.950 -0.458 0.000 2.518 6 F HA 0.822 5.395 4.527 -0.264 -0.204 0.323 6 F C -2.237 173.253 175.800 -0.517 0.000 1.129 6 F CA -2.362 55.416 58.000 -0.370 0.000 0.920 6 F CB 4.030 42.898 39.000 -0.220 0.000 1.160 6 F HN -0.033 8.061 8.300 -0.343 0.000 0.440 7 V N 7.414 127.008 119.914 -0.532 0.000 2.409 7 V HA 0.532 4.757 4.120 -0.106 -0.169 0.290 7 V C -1.550 174.404 176.094 -0.234 0.000 1.017 7 V CA -1.570 60.559 62.300 -0.285 0.000 0.841 7 V CB 2.675 34.301 31.823 -0.328 0.000 1.003 7 V HN 0.624 8.379 8.190 -0.726 0.000 0.426 8 G N 5.839 114.684 108.800 0.074 0.000 2.348 8 G HA2 0.549 4.695 3.960 -0.013 0.000 0.312 8 G HA3 0.549 4.634 3.960 0.208 0.000 0.312 8 G C -2.066 172.981 174.900 0.245 0.000 1.126 8 G CA -1.583 43.594 45.100 0.128 0.000 0.865 8 G HN 0.623 9.027 8.290 0.191 0.000 0.474 9 G N 0.841 109.735 108.800 0.158 0.000 2.588 9 G HA2 0.293 4.419 3.960 0.027 0.000 0.312 9 G HA3 0.293 4.118 3.960 -0.225 0.000 0.312 9 G C -2.717 172.135 174.900 -0.080 0.000 1.257 9 G CA -1.125 43.963 45.100 -0.021 0.000 0.994 9 G HN 0.510 8.852 8.290 0.088 0.000 0.498 10 N N 6.654 125.355 118.700 0.002 0.000 2.469 10 N HA 0.295 4.975 4.740 -0.101 0.000 0.239 10 N C 0.092 175.666 175.510 0.107 0.000 1.053 10 N CA -2.906 50.134 53.050 -0.018 0.000 0.937 10 N CB 0.536 39.015 38.487 -0.014 0.000 1.163 10 N HN 0.218 8.620 8.380 0.037 0.000 0.509 11 F N 5.342 125.230 119.950 -0.102 0.000 2.451 11 F HA -0.033 4.421 4.527 -0.121 0.000 0.299 11 F C 0.966 176.729 175.800 -0.062 0.000 1.101 11 F CA -0.420 57.523 58.000 -0.094 0.000 1.436 11 F CB -0.641 38.315 39.000 -0.074 0.000 1.074 11 F HN -0.269 8.001 8.300 -0.051 0.000 0.553 12 K N -4.524 115.937 120.400 0.101 0.000 1.888 12 K HA -0.420 4.032 4.320 -0.015 -0.141 0.330 12 K C -0.020 176.628 176.600 0.081 0.000 1.719 12 K CA 0.758 57.066 56.287 0.036 0.000 0.669 12 K CB -1.057 31.450 32.500 0.013 0.000 0.941 12 K HN -0.575 7.889 8.250 0.059 -0.178 0.795 13 L N 2.853 124.118 121.223 0.069 0.000 2.423 13 L HA 0.054 4.448 4.340 0.091 0.000 0.249 13 L C -1.561 175.358 176.870 0.081 0.000 1.276 13 L CA -0.330 54.558 54.840 0.080 0.000 1.199 13 L CB -1.494 40.606 42.059 0.069 0.000 1.407 13 L HN 0.112 8.378 8.230 0.060 0.000 0.410 14 N N 3.047 121.810 118.700 0.106 0.000 2.367 14 N HA 0.242 5.010 4.740 0.048 0.000 0.278 14 N C -1.869 173.682 175.510 0.069 0.000 1.117 14 N CA -0.444 52.642 53.050 0.059 0.000 0.867 14 N CB 3.719 42.205 38.487 -0.002 0.000 1.649 14 N HN -0.516 7.906 8.380 0.143 0.044 0.479 15 G N -0.839 107.962 108.800 0.003 0.000 2.375 15 G HA2 -0.159 3.705 3.960 -0.159 0.000 0.663 15 G HA3 -0.159 3.738 3.960 -0.104 0.000 0.663 15 G C -2.158 172.676 174.900 -0.110 0.000 1.391 15 G CA -0.320 44.723 45.100 -0.096 0.000 0.949 15 G HN -0.168 8.122 8.290 0.000 0.000 0.646 16 S N -1.915 113.620 115.700 -0.275 0.000 2.697 16 S HA 0.554 4.918 4.470 -0.176 0.000 0.289 16 S C 0.891 175.189 174.600 -0.504 0.000 1.149 16 S CA -2.026 56.005 58.200 -0.282 0.000 0.850 16 S CB 3.584 66.732 63.200 -0.087 0.000 1.151 16 S HN -0.096 8.052 8.310 -0.271 0.000 0.491 17 K N 1.695 121.897 120.400 -0.331 0.000 2.074 17 K HA -0.513 3.641 4.320 -0.276 0.000 0.209 17 K C 1.729 178.309 176.600 -0.035 0.000 1.048 17 K CA 4.777 60.933 56.287 -0.219 0.000 0.926 17 K CB -0.259 32.087 32.500 -0.256 0.000 0.713 17 K HN 0.628 8.785 8.250 -0.155 0.000 0.444 18 Q N -1.323 118.444 119.800 -0.055 0.000 2.046 18 Q HA -0.269 4.085 4.340 0.023 0.000 0.200 18 Q C 1.898 177.873 176.000 -0.041 0.000 0.975 18 Q CA 2.873 58.666 55.803 -0.017 0.000 0.836 18 Q CB -0.927 27.796 28.738 -0.025 0.000 0.896 18 Q HN 0.160 8.378 8.270 -0.075 0.008 0.428 19 S N -0.713 114.931 115.700 -0.094 0.000 2.414 19 S HA -0.137 4.275 4.470 -0.096 0.000 0.227 19 S C 2.200 176.714 174.600 -0.144 0.000 1.022 19 S CA 2.873 61.001 58.200 -0.121 0.000 0.958 19 S CB 0.085 63.197 63.200 -0.147 0.000 0.797 19 S HN -0.743 7.497 8.310 -0.117 0.000 0.493 20 I N 3.080 123.562 120.570 -0.147 0.000 2.353 20 I HA -0.459 3.631 4.170 -0.135 0.000 0.248 20 I C 1.306 177.409 176.117 -0.024 0.000 1.119 20 I CA 3.740 64.987 61.300 -0.088 0.000 1.417 20 I CB -0.327 37.636 38.000 -0.061 0.000 1.078 20 I HN -0.005 8.098 8.210 -0.178 0.000 0.421 21 K N 0.144 120.558 120.400 0.023 0.000 2.044 21 K HA -0.484 3.800 4.320 -0.061 0.000 0.210 21 K C 1.599 178.187 176.600 -0.021 0.000 1.049 21 K CA 4.025 60.312 56.287 0.000 0.000 0.927 21 K CB -0.400 32.147 32.500 0.079 0.000 0.713 21 K HN -0.383 7.908 8.250 0.068 0.000 0.443 22 E N -0.914 119.270 120.200 -0.028 0.000 2.077 22 E HA -0.262 4.075 4.350 -0.021 0.000 0.193 22 E C 2.480 179.058 176.600 -0.037 0.000 0.989 22 E CA 2.808 59.188 56.400 -0.033 0.000 0.800 22 E CB -0.227 29.446 29.700 -0.044 0.000 0.746 22 E HN -0.750 7.593 8.360 -0.029 0.000 0.452 23 I N -0.198 120.334 120.570 -0.064 0.000 2.179 23 I HA -0.437 3.703 4.170 -0.049 0.000 0.242 23 I C 2.084 178.215 176.117 0.023 0.000 1.088 23 I CA 4.002 65.269 61.300 -0.053 0.000 1.357 23 I CB 0.087 37.989 38.000 -0.164 0.000 1.051 23 I HN -0.527 7.631 8.210 -0.087 0.000 0.409 24 V N -0.490 119.437 119.914 0.022 0.000 2.358 24 V HA -0.502 3.656 4.120 0.064 0.000 0.246 24 V C 2.195 178.295 176.094 0.010 0.000 1.047 24 V CA 4.221 66.537 62.300 0.028 0.000 1.035 24 V CB -0.964 30.850 31.823 -0.014 0.000 0.658 24 V HN -0.168 8.023 8.190 0.003 0.000 0.452 25 E N -0.555 119.641 120.200 -0.007 0.000 2.110 25 E HA -0.426 3.920 4.350 -0.007 0.000 0.193 25 E C 2.321 178.927 176.600 0.010 0.000 0.988 25 E CA 3.309 59.707 56.400 -0.004 0.000 0.804 25 E CB -0.473 29.222 29.700 -0.008 0.000 0.745 25 E HN -0.060 8.290 8.360 -0.016 0.000 0.458 26 R N 0.005 120.516 120.500 0.017 0.000 2.091 26 R HA -0.324 4.029 4.340 0.020 0.000 0.238 26 R C 2.276 178.601 176.300 0.042 0.000 1.136 26 R CA 3.168 59.285 56.100 0.028 0.000 0.959 26 R CB -0.173 30.147 30.300 0.034 0.000 0.856 26 R HN -0.656 7.621 8.270 0.013 0.000 0.437 27 L N -2.456 118.804 121.223 0.061 0.000 2.046 27 L HA -0.363 4.015 4.340 0.063 0.000 0.208 27 L C 2.889 179.778 176.870 0.031 0.000 1.077 27 L CA 2.811 57.689 54.840 0.063 0.000 0.747 27 L CB -0.452 41.668 42.059 0.101 0.000 0.896 27 L HN -0.515 7.756 8.230 0.068 0.000 0.432 28 N N -2.391 116.322 118.700 0.022 0.000 2.205 28 N HA -0.231 4.514 4.740 0.009 0.000 0.186 28 N C 1.084 176.599 175.510 0.008 0.000 1.015 28 N CA 2.706 55.762 53.050 0.010 0.000 0.862 28 N CB -0.045 38.442 38.487 0.001 0.000 0.986 28 N HN -0.079 8.315 8.380 0.023 0.000 0.429 29 T N -7.248 107.312 114.554 0.010 0.000 3.069 29 T HA 0.044 4.398 4.350 0.006 0.000 0.252 29 T C -0.336 174.369 174.700 0.009 0.000 1.053 29 T CA -0.450 61.655 62.100 0.008 0.000 0.964 29 T CB 0.626 69.498 68.868 0.007 0.000 1.005 29 T HN -0.644 7.571 8.240 0.014 0.033 0.532 30 A N 2.900 125.727 122.820 0.011 0.000 2.287 30 A HA 0.122 4.448 4.320 0.010 0.000 0.273 30 A C -0.785 176.802 177.584 0.004 0.000 1.091 30 A CA -0.078 51.965 52.037 0.009 0.000 0.817 30 A CB 1.210 20.217 19.000 0.012 0.000 1.069 30 A HN -0.775 7.216 8.150 0.014 0.167 0.492 31 S N -0.715 114.987 115.700 0.003 0.000 2.414 31 S HA -0.058 4.413 4.470 0.002 0.000 0.290 31 S C -0.981 173.618 174.600 -0.002 0.000 1.160 31 S CA -0.083 58.117 58.200 0.001 0.000 1.069 31 S CB -0.515 62.686 63.200 0.002 0.000 1.012 31 S HN 0.075 8.387 8.310 0.004 0.000 0.510 32 I N 8.464 129.034 120.570 -0.001 0.000 2.498 32 I HA 0.275 4.443 4.170 -0.004 0.000 0.290 32 I C -2.163 173.959 176.117 0.007 0.000 1.032 32 I CA -3.390 57.909 61.300 -0.002 0.000 1.073 32 I CB 2.229 40.222 38.000 -0.011 0.000 1.251 32 I HN -0.216 7.995 8.210 0.001 0.000 0.426 33 P HA 0.046 4.474 4.420 0.013 0.000 0.272 33 P C -0.186 177.128 177.300 0.023 0.000 1.223 33 P CA -0.950 62.162 63.100 0.020 0.000 0.784 33 P CB 0.886 32.603 31.700 0.028 0.000 0.923 34 E N 1.919 122.131 120.200 0.020 0.000 2.068 34 E HA -0.429 3.932 4.350 0.018 0.000 0.207 34 E C 0.530 177.150 176.600 0.032 0.000 1.032 34 E CA 3.126 59.539 56.400 0.022 0.000 0.839 34 E CB 0.123 29.834 29.700 0.019 0.000 0.758 34 E HN 0.454 8.824 8.360 0.016 0.000 0.457 35 N N -3.443 115.283 118.700 0.044 0.000 2.575 35 N HA -0.006 4.768 4.740 0.056 0.000 0.275 35 N C -1.889 173.680 175.510 0.098 0.000 1.202 35 N CA -1.038 52.049 53.050 0.062 0.000 0.945 35 N CB -1.680 36.840 38.487 0.055 0.000 1.247 35 N HN 0.010 8.391 8.380 0.040 0.023 0.510 36 V N -0.573 119.392 119.914 0.085 0.000 2.823 36 V HA 0.381 4.739 4.120 0.159 -0.143 0.312 36 V C -2.257 173.841 176.094 0.007 0.000 1.072 36 V CA -2.290 60.071 62.300 0.101 0.000 0.937 36 V CB 3.091 35.000 31.823 0.144 0.000 1.013 36 V HN -0.901 7.243 8.190 0.059 0.081 0.430 37 E N 6.562 126.727 120.200 -0.060 0.000 2.133 37 E HA 0.271 4.552 4.350 -0.115 0.000 0.274 37 E C -1.751 174.588 176.600 -0.436 0.000 0.930 37 E CA -1.560 54.732 56.400 -0.181 0.000 0.770 37 E CB 2.469 32.114 29.700 -0.092 0.000 1.104 37 E HN 0.203 8.540 8.360 -0.038 0.000 0.403 38 V N 7.326 127.029 119.914 -0.352 0.000 2.448 38 V HA 0.756 4.795 4.120 -0.483 -0.208 0.295 38 V C -1.867 174.032 176.094 -0.324 0.000 1.025 38 V CA -2.019 60.065 62.300 -0.360 0.000 0.859 38 V CB 2.141 33.856 31.823 -0.181 0.000 0.988 38 V HN 0.735 8.785 8.190 -0.233 0.000 0.431 39 V N 7.469 127.155 119.914 -0.380 0.000 2.443 39 V HA 0.608 4.863 4.120 -0.152 -0.227 0.293 39 V C -0.778 175.247 176.094 -0.114 0.000 1.021 39 V CA -1.682 60.473 62.300 -0.241 0.000 0.848 39 V CB 2.071 33.676 31.823 -0.364 0.000 0.998 39 V HN 0.369 8.297 8.190 -0.438 0.000 0.424 40 I N 1.240 121.749 120.570 -0.101 0.000 2.392 40 I HA 0.592 4.742 4.170 -0.239 -0.124 0.295 40 I C -1.263 174.613 176.117 -0.402 0.000 0.985 40 I CA -2.082 59.070 61.300 -0.246 0.000 1.221 40 I CB 1.426 39.324 38.000 -0.169 0.000 1.366 40 I HN 0.380 8.542 8.210 -0.079 0.000 0.467 41 C N 4.659 123.576 119.300 -0.638 0.000 2.492 41 C HA 0.880 5.401 4.460 -0.321 -0.254 0.284 41 C C -1.448 173.160 174.990 -0.638 0.000 1.082 41 C CA -2.802 55.939 59.018 -0.462 0.000 1.555 41 C CB -1.278 26.319 27.740 -0.237 0.000 1.798 41 C HN 0.688 8.432 8.230 -0.810 0.000 0.413 42 P HA 0.339 4.650 4.420 -0.182 0.000 0.278 42 P C -2.222 175.087 177.300 0.014 0.000 1.266 42 P CA -1.769 61.208 63.100 -0.205 0.000 0.807 42 P CB 0.021 31.739 31.700 0.029 0.000 1.094 43 P HA -0.096 4.359 4.420 0.058 0.000 0.267 43 P C 0.527 177.861 177.300 0.058 0.000 1.201 43 P CA 0.345 63.514 63.100 0.114 0.000 0.775 43 P CB 0.261 32.074 31.700 0.188 0.000 0.854 44 A N 3.898 126.712 122.820 -0.011 0.000 1.978 44 A HA -0.293 4.022 4.320 -0.009 0.000 0.220 44 A C 2.266 179.808 177.584 -0.070 0.000 1.170 44 A CA 3.326 55.346 52.037 -0.029 0.000 0.636 44 A CB -0.882 18.096 19.000 -0.037 0.000 0.810 44 A HN 0.489 8.628 8.150 -0.017 0.000 0.448 45 T N -0.992 113.454 114.554 -0.180 0.000 2.822 45 T HA -0.250 3.943 4.350 -0.262 0.000 0.270 45 T C 0.709 175.162 174.700 -0.412 0.000 1.064 45 T CA 3.251 65.123 62.100 -0.380 0.000 1.131 45 T CB -0.243 68.247 68.868 -0.630 0.000 0.858 45 T HN 0.094 8.210 8.240 -0.166 0.024 0.483 46 Y N -3.414 116.925 120.300 0.066 0.000 2.584 46 Y HA 0.197 4.832 4.550 0.142 0.000 0.254 46 Y C 0.100 176.072 175.900 0.119 0.000 1.177 46 Y CA -1.198 56.978 58.100 0.126 0.000 1.216 46 Y CB 0.548 39.109 38.460 0.167 0.000 1.172 46 Y HN -0.465 7.631 8.280 -0.037 0.162 0.529 47 L N 1.331 122.648 121.223 0.156 0.000 1.994 47 L HA -0.469 3.925 4.340 0.089 0.000 0.208 47 L C 1.444 178.378 176.870 0.107 0.000 1.071 47 L CA 4.295 59.194 54.840 0.099 0.000 0.745 47 L CB -0.341 41.746 42.059 0.046 0.000 0.892 47 L HN -0.770 7.518 8.230 0.098 0.000 0.431 48 D N -2.845 117.622 120.400 0.112 0.000 2.104 48 D HA -0.334 4.351 4.640 0.075 0.000 0.194 48 D C 1.739 178.132 176.300 0.154 0.000 0.994 48 D CA 3.005 57.069 54.000 0.108 0.000 0.830 48 D CB -0.432 40.424 40.800 0.093 0.000 0.959 48 D HN 0.204 8.634 8.370 0.101 0.000 0.452 49 Y N 0.124 120.473 120.300 0.082 0.000 2.128 49 Y HA -0.294 4.298 4.550 0.071 0.000 0.284 49 Y C 2.067 178.014 175.900 0.078 0.000 1.154 49 Y CA 3.030 61.184 58.100 0.091 0.000 1.149 49 Y CB -0.275 38.272 38.460 0.144 0.000 0.976 49 Y HN 0.005 8.483 8.280 0.330 0.000 0.505 50 S N -0.116 115.618 115.700 0.057 0.000 2.356 50 S HA -0.392 3.991 4.470 -0.145 0.000 0.223 50 S C 1.706 176.268 174.600 -0.064 0.000 1.032 50 S CA 4.273 62.446 58.200 -0.046 0.000 1.005 50 S CB -0.327 62.903 63.200 0.049 0.000 0.867 50 S HN -0.394 8.036 8.310 0.199 0.000 0.449 51 V N 0.291 120.198 119.914 -0.012 0.000 2.324 51 V HA -0.428 3.684 4.120 -0.014 0.000 0.250 51 V C 2.253 178.327 176.094 -0.034 0.000 1.060 51 V CA 3.595 65.887 62.300 -0.013 0.000 1.042 51 V CB -0.999 30.829 31.823 0.009 0.000 0.650 51 V HN -0.439 7.763 8.190 0.020 0.000 0.450 52 S N -0.409 115.265 115.700 -0.042 0.000 2.419 52 S HA -0.287 4.170 4.470 -0.020 0.000 0.233 52 S C 0.763 175.306 174.600 -0.096 0.000 1.016 52 S CA 3.317 61.489 58.200 -0.046 0.000 0.974 52 S CB -0.167 63.030 63.200 -0.006 0.000 0.786 52 S HN -0.304 7.976 8.310 -0.028 0.013 0.492 53 L N -1.357 119.763 121.223 -0.173 0.000 2.375 53 L HA 0.018 4.269 4.340 -0.149 0.000 0.215 53 L C 0.360 177.176 176.870 -0.091 0.000 1.108 53 L CA 0.395 55.132 54.840 -0.172 0.000 0.830 53 L CB 0.522 42.407 42.059 -0.290 0.000 0.959 53 L HN -0.928 7.041 8.230 -0.204 0.138 0.457 54 V N -1.817 118.058 119.914 -0.065 0.000 2.572 54 V HA -0.297 3.922 4.120 -0.027 -0.116 0.291 54 V C -0.210 175.870 176.094 -0.022 0.000 1.039 54 V CA 1.090 63.370 62.300 -0.032 0.000 1.055 54 V CB -0.152 31.660 31.823 -0.018 0.000 0.969 54 V HN -0.727 7.421 8.190 -0.071 0.000 0.482 55 K N 4.307 124.698 120.400 -0.014 0.000 2.440 55 K HA 0.259 4.574 4.320 -0.009 0.000 0.207 55 K C 0.437 177.035 176.600 -0.003 0.000 1.112 55 K CA -1.740 54.541 56.287 -0.009 0.000 1.036 55 K CB 1.043 33.537 32.500 -0.009 0.000 0.935 55 K HN 0.411 9.000 8.250 -0.012 -0.346 0.564 56 K N 3.114 123.513 120.400 -0.001 0.000 2.248 56 K HA 0.356 4.676 4.320 0.001 0.000 0.281 56 K C -0.649 175.951 176.600 0.000 0.000 1.054 56 K CA -2.916 53.371 56.287 0.001 0.000 0.903 56 K CB 0.352 32.854 32.500 0.003 0.000 1.077 56 K HN -0.705 7.642 8.250 -0.002 -0.098 0.474 57 P HA -0.018 4.404 4.420 0.004 0.000 0.220 57 P C -0.271 177.030 177.300 0.003 0.000 1.148 57 P CA 1.454 64.556 63.100 0.004 0.000 0.803 57 P CB 0.247 31.951 31.700 0.006 0.000 0.782 58 Q N -4.804 114.994 119.800 -0.003 0.000 2.488 58 Q HA -0.100 4.235 4.340 -0.009 0.000 0.211 58 Q C -1.011 174.969 176.000 -0.033 0.000 0.967 58 Q CA 1.073 56.868 55.803 -0.014 0.000 0.926 58 Q CB 0.193 28.921 28.738 -0.017 0.000 0.992 58 Q HN 0.216 8.455 8.270 -0.002 0.030 0.506 59 V N -1.438 118.464 119.914 -0.019 0.000 2.417 59 V HA 0.666 4.968 4.120 -0.044 -0.208 0.291 59 V C -0.083 176.007 176.094 -0.006 0.000 1.024 59 V CA -1.460 60.828 62.300 -0.020 0.000 0.861 59 V CB 0.486 32.311 31.823 0.004 0.000 0.985 59 V HN -0.649 7.466 8.190 -0.009 0.070 0.436 60 T N 2.376 116.927 114.554 -0.006 0.000 2.888 60 T HA 0.298 4.661 4.350 0.021 0.000 0.288 60 T C -1.985 172.726 174.700 0.018 0.000 1.063 60 T CA -3.276 58.842 62.100 0.028 0.000 1.010 60 T CB 3.119 72.038 68.868 0.085 0.000 1.214 60 T HN 0.658 8.878 8.240 -0.033 0.000 0.533 61 V N -0.295 119.641 119.914 0.037 0.000 2.628 61 V HA 0.779 5.072 4.120 -0.036 -0.194 0.306 61 V C -0.667 175.459 176.094 0.053 0.000 1.045 61 V CA -1.930 60.373 62.300 0.005 0.000 0.905 61 V CB 3.000 34.818 31.823 -0.008 0.000 0.997 61 V HN 0.497 8.719 8.190 0.053 0.000 0.436 62 G N 3.119 111.927 108.800 0.012 0.000 2.605 62 G HA2 0.780 4.919 3.960 0.099 0.000 0.296 62 G HA3 0.780 4.797 3.960 0.096 0.000 0.296 62 G C -2.797 172.095 174.900 -0.014 0.000 1.304 62 G CA -1.644 43.491 45.100 0.057 0.000 0.941 62 G HN 0.540 8.796 8.290 -0.055 0.000 0.475 63 A N -1.219 121.606 122.820 0.009 0.000 2.252 63 A HA 0.550 4.851 4.320 -0.032 0.000 0.305 63 A C -0.095 177.474 177.584 -0.024 0.000 1.097 63 A CA -2.206 49.822 52.037 -0.015 0.000 0.849 63 A CB 2.602 21.600 19.000 -0.003 0.000 1.142 63 A HN 0.221 8.394 8.150 0.038 0.000 0.499 64 Q N -0.863 118.914 119.800 -0.038 0.000 2.402 64 Q HA -0.125 4.186 4.340 -0.049 0.000 0.206 64 Q C -1.208 174.770 176.000 -0.036 0.000 0.919 64 Q CA 1.677 57.452 55.803 -0.047 0.000 0.923 64 Q CB 0.922 29.622 28.738 -0.064 0.000 1.048 64 Q HN 0.723 8.972 8.270 -0.037 0.000 0.515 65 N N -5.473 113.208 118.700 -0.031 0.000 3.265 65 N HA 0.223 5.097 4.740 -0.032 -0.153 0.235 65 N C -2.018 173.477 175.510 -0.026 0.000 1.343 65 N CA 0.029 53.059 53.050 -0.034 0.000 0.904 65 N CB 1.914 40.373 38.487 -0.048 0.000 1.492 65 N HN -0.796 7.567 8.380 -0.028 0.000 0.504 66 A N 0.277 123.079 122.820 -0.031 0.000 2.602 66 A HA 0.173 4.589 4.320 0.018 -0.085 0.290 66 A C -2.912 174.664 177.584 -0.013 0.000 1.114 66 A CA -0.625 51.412 52.037 0.001 0.000 0.683 66 A CB 2.614 21.625 19.000 0.019 0.000 1.281 66 A HN -0.041 8.077 8.150 -0.053 0.000 0.416 67 Y N -0.396 119.819 120.300 -0.142 0.000 2.344 67 Y HA -0.089 4.289 4.550 -0.288 0.000 0.330 67 Y C -0.230 175.498 175.900 -0.286 0.000 1.330 67 Y CA 0.362 58.316 58.100 -0.243 0.000 1.479 67 Y CB 2.184 40.492 38.460 -0.253 0.000 1.428 67 Y HN -0.089 8.268 8.280 0.127 0.000 0.544 68 L N -5.498 114.934 121.223 -1.320 0.000 2.628 68 L HA 0.216 4.165 4.340 -0.652 0.000 0.229 68 L C -1.252 174.773 176.870 -1.409 0.000 1.137 68 L CA 0.153 54.365 54.840 -1.047 0.000 0.909 68 L CB -0.686 40.864 42.059 -0.848 0.000 1.137 68 L HN 0.121 6.892 8.230 -2.433 0.000 0.470 69 K N -1.048 118.630 120.400 -1.204 0.000 2.385 69 K HA 0.111 3.502 4.320 -1.549 0.000 0.248 69 K C -0.233 176.134 176.600 -0.389 0.000 0.955 69 K CA -1.737 53.979 56.287 -0.952 0.000 0.816 69 K CB 2.305 34.603 32.500 -0.338 0.000 1.250 69 K HN -0.727 6.846 8.250 -1.012 0.070 0.434 70 A N 0.408 123.208 122.820 -0.033 0.000 2.021 70 A HA -0.031 4.474 4.320 0.309 0.000 0.216 70 A C -0.633 177.057 177.584 0.177 0.000 1.163 70 A CA 1.383 53.575 52.037 0.259 0.000 0.676 70 A CB 0.487 19.702 19.000 0.359 0.000 0.818 70 A HN 0.256 8.371 8.150 -0.059 0.000 0.453 71 S N -5.727 110.077 115.700 0.174 0.000 2.596 71 S HA 0.217 4.795 4.470 0.179 0.000 0.270 71 S C -1.200 173.561 174.600 0.269 0.000 1.155 71 S CA -0.943 57.367 58.200 0.183 0.000 0.827 71 S CB 2.065 65.340 63.200 0.125 0.000 1.130 71 S HN -0.641 7.762 8.310 0.156 0.000 0.467 72 G N -0.469 108.453 108.800 0.204 0.000 2.302 72 G HA2 -0.185 3.781 3.960 0.011 0.000 0.276 72 G HA3 -0.185 3.880 3.960 0.175 0.000 0.276 72 G C -2.301 172.488 174.900 -0.185 0.000 1.316 72 G CA -0.486 44.658 45.100 0.073 0.000 0.988 72 G HN -0.128 8.251 8.290 0.150 0.000 0.479 73 A N 1.303 123.723 122.820 -0.667 0.000 3.091 73 A HA 0.188 4.282 4.320 -0.376 0.000 0.264 73 A C -1.248 175.737 177.584 -0.998 0.000 1.673 73 A CA -0.075 51.566 52.037 -0.659 0.000 1.362 73 A CB -1.568 17.140 19.000 -0.487 0.000 1.137 73 A HN 0.011 7.700 8.150 -0.769 0.000 0.617 74 F N 1.905 121.781 119.950 -0.123 0.000 2.523 74 F HA 0.192 4.582 4.527 -0.228 0.000 0.322 74 F C -0.696 175.004 175.800 -0.167 0.000 1.361 74 F CA -2.204 55.661 58.000 -0.225 0.000 1.151 74 F CB 0.200 38.936 39.000 -0.439 0.000 1.391 74 F HN -0.593 7.521 8.300 -0.225 0.052 0.566 75 T N 4.766 119.292 114.554 -0.046 0.000 2.849 75 T HA -0.285 4.046 4.350 -0.032 0.000 0.289 75 T C 1.412 176.097 174.700 -0.024 0.000 1.010 75 T CA 2.856 64.934 62.100 -0.036 0.000 1.161 75 T CB 0.365 69.204 68.868 -0.048 0.000 0.989 75 T HN -0.024 8.159 8.240 -0.095 0.000 0.523 76 G N 6.144 114.931 108.800 -0.022 0.000 2.199 76 G HA2 -0.327 3.616 3.960 -0.029 0.000 0.254 76 G HA3 -0.327 3.615 3.960 -0.031 0.000 0.254 76 G C -0.522 174.358 174.900 -0.034 0.000 0.982 76 G CA -0.305 44.778 45.100 -0.029 0.000 0.632 76 G HN 0.397 8.675 8.290 -0.019 0.000 0.529 77 E N 1.067 121.251 120.200 -0.027 0.000 2.345 77 E HA 0.130 4.460 4.350 -0.035 0.000 0.259 77 E C -0.698 175.905 176.600 0.006 0.000 1.117 77 E CA -0.662 55.722 56.400 -0.025 0.000 0.913 77 E CB 0.903 30.560 29.700 -0.071 0.000 1.057 77 E HN -0.348 7.939 8.360 -0.017 0.062 0.432 78 N N -0.325 118.385 118.700 0.017 0.000 2.466 78 N HA 0.125 4.879 4.740 0.024 0.000 0.294 78 N C -1.166 174.384 175.510 0.066 0.000 1.129 78 N CA -0.511 52.555 53.050 0.028 0.000 0.931 78 N CB 2.005 40.497 38.487 0.009 0.000 1.193 78 N HN 0.004 8.392 8.380 0.013 0.000 0.500 79 S N 0.977 116.719 115.700 0.070 0.000 2.482 79 S HA 0.392 4.937 4.470 0.125 0.000 0.303 79 S C 0.725 175.376 174.600 0.086 0.000 1.091 79 S CA -2.408 55.853 58.200 0.102 0.000 1.057 79 S CB 1.918 65.184 63.200 0.110 0.000 1.031 79 S HN 0.449 8.792 8.310 0.054 0.000 0.485 80 V N 4.285 124.267 119.914 0.113 0.000 2.490 80 V HA -0.250 3.890 4.120 0.033 0.000 0.250 80 V C 1.049 177.162 176.094 0.031 0.000 1.061 80 V CA 3.114 65.449 62.300 0.057 0.000 1.064 80 V CB -0.337 31.506 31.823 0.033 0.000 0.670 80 V HN 0.748 9.037 8.190 0.165 0.000 0.461 81 D N -0.718 119.720 120.400 0.063 0.000 2.178 81 D HA -0.217 4.426 4.640 0.005 0.000 0.202 81 D C 2.290 178.607 176.300 0.028 0.000 0.974 81 D CA 3.470 57.491 54.000 0.035 0.000 0.841 81 D CB -0.621 40.216 40.800 0.061 0.000 0.953 81 D HN -0.424 8.000 8.370 0.114 0.014 0.478 82 Q N -0.321 119.502 119.800 0.039 0.000 2.137 82 Q HA -0.207 4.149 4.340 0.026 0.000 0.198 82 Q C 2.515 178.526 176.000 0.019 0.000 0.960 82 Q CA 2.663 58.483 55.803 0.029 0.000 0.847 82 Q CB 0.257 29.016 28.738 0.035 0.000 0.915 82 Q HN -0.757 7.545 8.270 0.054 0.000 0.448 83 I N 0.543 121.123 120.570 0.018 0.000 2.163 83 I HA -0.600 3.577 4.170 0.012 0.000 0.243 83 I C 1.451 177.568 176.117 0.001 0.000 1.085 83 I CA 4.278 65.584 61.300 0.010 0.000 1.347 83 I CB -0.235 37.770 38.000 0.009 0.000 1.044 83 I HN -0.087 8.137 8.210 0.024 0.000 0.408 84 K N -0.221 120.173 120.400 -0.009 0.000 2.057 84 K HA -0.294 4.193 4.320 -0.027 -0.184 0.207 84 K C 2.815 179.409 176.600 -0.010 0.000 1.049 84 K CA 3.099 59.373 56.287 -0.021 0.000 0.931 84 K CB -0.304 32.173 32.500 -0.039 0.000 0.714 84 K HN -0.390 7.856 8.250 -0.008 0.000 0.440 85 D N -0.117 120.282 120.400 -0.001 0.000 2.182 85 D HA -0.233 4.407 4.640 0.001 0.000 0.201 85 D C 1.568 177.872 176.300 0.008 0.000 0.986 85 D CA 2.840 56.842 54.000 0.004 0.000 0.847 85 D CB -0.021 40.785 40.800 0.011 0.000 0.942 85 D HN -0.367 8.004 8.370 0.002 0.000 0.467 86 V N -8.014 111.906 119.914 0.011 0.000 3.596 86 V HA 0.314 4.446 4.120 0.020 0.000 0.289 86 V C 0.271 176.375 176.094 0.016 0.000 1.336 86 V CA -1.075 61.236 62.300 0.018 0.000 1.137 86 V CB -0.239 31.601 31.823 0.027 0.000 0.966 86 V HN -0.745 7.422 8.190 0.010 0.029 0.428 87 G N -0.420 108.384 108.800 0.006 0.000 2.159 87 G HA2 -0.369 3.589 3.960 -0.004 0.000 0.227 87 G HA3 -0.369 3.594 3.960 0.005 0.000 0.227 87 G C -1.142 173.758 174.900 0.002 0.000 0.986 87 G CA 0.039 45.140 45.100 0.002 0.000 0.651 87 G HN -0.387 7.722 8.290 0.002 0.183 0.523 88 A N -1.061 121.761 122.820 0.004 0.000 2.304 88 A HA 0.071 4.472 4.320 0.019 -0.069 0.271 88 A C -0.784 176.795 177.584 -0.009 0.000 1.091 88 A CA -0.332 51.711 52.037 0.011 0.000 0.812 88 A CB 1.562 20.572 19.000 0.016 0.000 1.056 88 A HN -0.664 7.489 8.150 0.004 0.000 0.489 89 K N -2.611 117.792 120.400 0.005 0.000 2.450 89 K HA 0.393 4.634 4.320 -0.131 0.000 0.206 89 K C -0.689 175.763 176.600 -0.247 0.000 1.148 89 K CA -0.645 55.582 56.287 -0.100 0.000 1.014 89 K CB 2.216 34.669 32.500 -0.078 0.000 0.966 89 K HN 0.208 8.493 8.250 0.058 0.000 0.566 90 Y N -2.596 117.700 120.300 -0.007 0.000 2.609 90 Y HA 0.561 5.298 4.550 -0.014 -0.196 0.342 90 Y C -1.783 174.105 175.900 -0.021 0.000 1.058 90 Y CA -0.882 57.215 58.100 -0.004 0.000 1.055 90 Y CB 4.825 43.309 38.460 0.040 0.000 1.292 90 Y HN -0.803 7.567 8.280 0.149 0.000 0.476 91 V N -0.871 119.140 119.914 0.162 0.000 2.760 91 V HA 0.580 4.918 4.120 0.064 -0.180 0.309 91 V C -1.717 174.414 176.094 0.062 0.000 1.077 91 V CA -2.893 59.451 62.300 0.072 0.000 0.910 91 V CB 3.943 35.777 31.823 0.019 0.000 1.008 91 V HN 0.359 8.660 8.190 0.184 0.000 0.424 92 I N 7.534 128.122 120.570 0.031 0.000 2.471 92 I HA 0.094 4.465 4.170 0.021 -0.188 0.286 92 I C -1.318 174.804 176.117 0.009 0.000 1.079 92 I CA 0.347 61.659 61.300 0.021 0.000 1.398 92 I CB -0.019 37.995 38.000 0.023 0.000 1.403 92 I HN 0.196 8.420 8.210 0.023 0.000 0.530 93 L N 4.791 126.013 121.223 -0.002 0.000 2.386 93 L HA 0.385 4.713 4.340 -0.021 0.000 0.271 93 L C 0.202 177.071 176.870 -0.003 0.000 0.993 93 L CA -1.426 53.401 54.840 -0.022 0.000 0.819 93 L CB 3.266 45.287 42.059 -0.064 0.000 1.294 93 L HN 0.290 8.517 8.230 -0.006 0.000 0.414 94 G N 0.116 108.925 108.800 0.015 0.000 2.136 94 G HA2 -0.488 3.495 3.960 0.039 0.000 0.242 94 G HA3 -0.488 3.474 3.960 0.004 0.000 0.242 94 G C -0.845 174.074 174.900 0.033 0.000 0.989 94 G CA 0.170 45.286 45.100 0.026 0.000 0.682 94 G HN 0.571 8.868 8.290 0.011 0.000 0.522 95 H N -0.384 118.683 119.070 -0.006 0.000 2.972 95 H HA -0.154 4.385 4.556 -0.028 0.000 0.343 95 H C 0.612 175.935 175.328 -0.010 0.000 1.054 95 H CA 1.015 57.056 56.048 -0.011 0.000 1.412 95 H CB 1.209 30.973 29.762 0.004 0.000 1.385 95 H HN -0.541 7.802 8.280 0.171 0.040 0.600 96 S N 5.716 121.159 115.700 -0.427 0.000 2.387 96 S HA -0.423 3.948 4.470 -0.165 0.000 0.230 96 S C 1.586 176.144 174.600 -0.069 0.000 1.035 96 S CA 3.460 61.525 58.200 -0.225 0.000 1.014 96 S CB 0.171 63.178 63.200 -0.321 0.000 0.836 96 S HN 0.780 8.556 8.310 -0.889 0.000 0.466 97 E N -0.220 120.103 120.200 0.206 0.000 2.204 97 E HA -0.287 3.888 4.350 -0.291 0.000 0.194 97 E C 2.327 179.087 176.600 0.266 0.000 0.989 97 E CA 2.727 59.200 56.400 0.121 0.000 0.824 97 E CB -0.234 29.665 29.700 0.332 0.000 0.756 97 E HN -0.561 8.140 8.360 0.602 0.020 0.477 98 R N -2.264 118.427 120.500 0.320 0.000 2.080 98 R HA -0.172 4.534 4.340 0.609 0.000 0.222 98 R C 2.495 178.968 176.300 0.288 0.000 1.107 98 R CA 2.414 58.742 56.100 0.380 0.000 0.980 98 R CB -0.061 30.392 30.300 0.255 0.000 0.879 98 R HN -0.461 7.884 8.270 0.312 0.112 0.439 99 R N -0.617 119.973 120.500 0.149 0.000 2.096 99 R HA -0.205 4.401 4.340 0.144 -0.179 0.235 99 R C 2.356 178.685 176.300 0.049 0.000 1.127 99 R CA 3.230 59.388 56.100 0.096 0.000 0.968 99 R CB -0.128 30.188 30.300 0.026 0.000 0.861 99 R HN -0.304 8.037 8.270 0.119 0.000 0.440 100 S N -1.625 114.056 115.700 -0.032 0.000 2.297 100 S HA -0.125 4.285 4.470 -0.100 0.000 0.200 100 S C 2.534 177.158 174.600 0.040 0.000 1.011 100 S CA 2.204 60.336 58.200 -0.113 0.000 0.938 100 S CB 0.095 63.096 63.200 -0.330 0.000 0.924 100 S HN -0.242 8.011 8.310 -0.052 0.025 0.504 101 Y N -0.918 119.394 120.300 0.021 0.000 2.181 101 Y HA -0.267 4.223 4.550 -0.100 0.000 0.288 101 Y C 1.759 177.482 175.900 -0.295 0.000 1.146 101 Y CA 2.011 60.002 58.100 -0.183 0.000 1.164 101 Y CB 0.214 38.431 38.460 -0.405 0.000 0.982 101 Y HN -0.604 7.476 8.280 -0.334 0.000 0.515 102 F N -5.895 114.250 119.950 0.325 0.000 2.693 102 F HA 0.116 4.739 4.527 0.160 0.000 0.303 102 F C -1.105 174.857 175.800 0.270 0.000 1.097 102 F CA -0.117 58.020 58.000 0.228 0.000 1.330 102 F CB -0.706 38.410 39.000 0.192 0.000 1.067 102 F HN -0.835 7.648 8.300 0.306 0.000 0.565 103 H N -3.676 115.494 119.070 0.166 0.000 2.791 103 H HA -0.434 4.286 4.556 0.077 -0.117 0.302 103 H C -0.840 174.564 175.328 0.127 0.000 1.198 103 H CA 0.445 56.556 56.048 0.105 0.000 1.145 103 H CB -2.710 27.088 29.762 0.060 0.000 1.385 103 H HN -0.589 7.793 8.280 0.449 0.167 0.409 104 E N -0.800 119.583 120.200 0.306 0.000 2.129 104 E HA -0.053 4.521 4.350 0.373 0.000 0.283 104 E C -0.303 176.443 176.600 0.243 0.000 1.080 104 E CA -0.219 56.395 56.400 0.358 0.000 0.867 104 E CB 0.339 30.305 29.700 0.443 0.000 1.056 104 E HN -0.775 7.751 8.360 0.318 0.025 0.404 105 D N 5.704 126.227 120.400 0.205 0.000 2.411 105 D HA -0.047 4.650 4.640 0.095 0.000 0.251 105 D C 0.625 177.015 176.300 0.149 0.000 1.201 105 D CA -1.507 52.570 54.000 0.129 0.000 0.996 105 D CB 1.076 41.921 40.800 0.075 0.000 1.101 105 D HN 0.056 8.545 8.370 0.197 0.000 0.504 106 D N -0.419 120.036 120.400 0.093 0.000 2.149 106 D HA -0.334 4.352 4.640 0.076 0.000 0.198 106 D C 2.052 178.408 176.300 0.094 0.000 0.990 106 D CA 4.034 58.083 54.000 0.081 0.000 0.839 106 D CB -0.124 40.710 40.800 0.056 0.000 0.948 106 D HN 0.249 8.662 8.370 0.072 0.000 0.460 107 K N -0.268 120.194 120.400 0.103 0.000 2.097 107 K HA -0.228 4.141 4.320 0.082 0.000 0.205 107 K C 1.885 178.579 176.600 0.158 0.000 1.050 107 K CA 2.770 59.120 56.287 0.104 0.000 0.938 107 K CB -0.529 32.022 32.500 0.085 0.000 0.718 107 K HN -0.252 8.118 8.250 0.096 -0.062 0.442 108 F N 1.146 121.099 119.950 0.004 0.000 2.126 108 F HA -0.282 4.225 4.527 -0.033 0.000 0.299 108 F C 1.614 177.402 175.800 -0.019 0.000 1.096 108 F CA 2.350 60.343 58.000 -0.011 0.000 1.255 108 F CB 0.015 39.026 39.000 0.018 0.000 0.997 108 F HN -0.263 8.514 8.300 0.296 -0.299 0.479 109 I N -1.483 119.117 120.570 0.050 0.000 2.226 109 I HA -0.502 3.578 4.170 -0.151 0.000 0.245 109 I C 2.172 178.255 176.117 -0.057 0.000 1.100 109 I CA 1.758 63.025 61.300 -0.056 0.000 1.374 109 I CB -1.873 36.131 38.000 0.007 0.000 1.057 109 I HN -0.351 7.949 8.210 0.151 0.000 0.413 110 A N 0.308 123.128 122.820 -0.000 0.000 1.883 110 A HA -0.406 3.915 4.320 0.002 0.000 0.217 110 A C 1.938 179.511 177.584 -0.019 0.000 1.186 110 A CA 3.645 55.686 52.037 0.006 0.000 0.624 110 A CB -0.879 18.145 19.000 0.042 0.000 0.822 110 A HN -0.160 8.010 8.150 0.032 0.000 0.444 111 D N -1.695 118.688 120.400 -0.027 0.000 2.117 111 D HA -0.233 4.398 4.640 -0.016 0.000 0.198 111 D C 2.726 178.967 176.300 -0.097 0.000 0.982 111 D CA 3.245 57.217 54.000 -0.046 0.000 0.828 111 D CB -0.384 40.393 40.800 -0.038 0.000 0.967 111 D HN -0.248 8.116 8.370 -0.009 0.000 0.464 112 K N -0.352 119.929 120.400 -0.198 0.000 2.097 112 K HA -0.302 3.893 4.320 -0.208 0.000 0.206 112 K C 2.369 178.918 176.600 -0.084 0.000 1.049 112 K CA 3.566 59.728 56.287 -0.208 0.000 0.933 112 K CB -0.060 32.237 32.500 -0.338 0.000 0.717 112 K HN -0.357 7.753 8.250 -0.234 0.000 0.442 113 T N 1.480 115.980 114.554 -0.090 0.000 2.737 113 T HA -0.316 3.972 4.350 -0.104 0.000 0.265 113 T C 1.421 176.074 174.700 -0.079 0.000 1.038 113 T CA 4.686 66.729 62.100 -0.095 0.000 1.144 113 T CB -0.360 68.439 68.868 -0.115 0.000 0.866 113 T HN -0.331 7.850 8.240 -0.098 0.000 0.434 114 K N 1.865 122.241 120.400 -0.040 0.000 2.032 114 K HA -0.408 3.886 4.320 -0.042 0.000 0.209 114 K C 1.793 178.380 176.600 -0.023 0.000 1.048 114 K CA 3.629 59.903 56.287 -0.022 0.000 0.927 114 K CB -0.256 32.252 32.500 0.013 0.000 0.712 114 K HN -0.446 7.785 8.250 -0.033 0.000 0.441 115 F N -0.636 119.245 119.950 -0.115 0.000 2.102 115 F HA -0.377 4.093 4.527 -0.096 0.000 0.298 115 F C 1.080 176.816 175.800 -0.107 0.000 1.105 115 F CA 3.138 61.069 58.000 -0.116 0.000 1.239 115 F CB 0.042 38.946 39.000 -0.161 0.000 0.991 115 F HN -0.605 7.769 8.300 0.124 0.000 0.474 116 A N -0.533 122.208 122.820 -0.131 0.000 1.883 116 A HA -0.431 3.752 4.320 -0.229 0.000 0.217 116 A C 2.010 179.449 177.584 -0.242 0.000 1.186 116 A CA 3.202 55.124 52.037 -0.191 0.000 0.624 116 A CB -0.517 18.428 19.000 -0.092 0.000 0.822 116 A HN -0.101 8.047 8.150 -0.004 0.000 0.444 117 L N -2.792 118.314 121.223 -0.196 0.000 2.083 117 L HA -0.199 4.192 4.340 -0.174 -0.155 0.209 117 L C 3.568 180.320 176.870 -0.198 0.000 1.083 117 L CA 2.176 56.909 54.840 -0.178 0.000 0.752 117 L CB -0.340 41.634 42.059 -0.141 0.000 0.899 117 L HN -0.319 7.811 8.230 -0.166 0.000 0.433 118 G N -2.799 105.854 108.800 -0.245 0.000 2.509 118 G HA2 -0.230 3.625 3.960 -0.175 0.000 0.218 118 G HA3 -0.230 3.576 3.960 -0.256 0.000 0.218 118 G C 0.433 175.155 174.900 -0.297 0.000 1.124 118 G CA 1.499 46.452 45.100 -0.246 0.000 0.776 118 G HN -0.239 7.879 8.290 -0.260 0.016 0.547 119 Q N -0.490 119.076 119.800 -0.389 0.000 2.360 119 Q HA 0.146 4.313 4.340 -0.289 0.000 0.202 119 Q C 0.338 176.213 176.000 -0.208 0.000 0.915 119 Q CA -1.706 53.900 55.803 -0.329 0.000 0.943 119 Q CB -0.150 28.335 28.738 -0.421 0.000 1.064 119 Q HN -0.627 7.228 8.270 -0.435 0.154 0.511 120 G N -0.817 107.869 108.800 -0.189 0.000 2.160 120 G HA2 -0.371 3.501 3.960 -0.145 0.000 0.244 120 G HA3 -0.371 3.508 3.960 -0.134 0.000 0.244 120 G C -0.910 173.890 174.900 -0.167 0.000 1.022 120 G CA 0.421 45.429 45.100 -0.154 0.000 0.741 120 G HN -0.424 7.563 8.290 -0.203 0.181 0.508 121 V N 0.509 120.312 119.914 -0.185 0.000 2.495 121 V HA 0.073 4.062 4.120 -0.217 0.000 0.298 121 V C -0.292 175.664 176.094 -0.229 0.000 1.031 121 V CA -1.606 60.577 62.300 -0.196 0.000 0.871 121 V CB 1.098 32.837 31.823 -0.139 0.000 0.988 121 V HN -0.790 7.285 8.190 -0.192 0.000 0.432 122 G N 5.669 114.243 108.800 -0.376 0.000 2.569 122 G HA2 0.318 4.337 3.960 -0.253 0.000 0.249 122 G HA3 0.318 3.845 3.960 -0.722 0.000 0.249 122 G C -2.019 172.852 174.900 -0.050 0.000 1.216 122 G CA -0.394 44.484 45.100 -0.370 0.000 0.845 122 G HN 0.266 8.261 8.290 -0.493 0.000 0.568 123 V N 1.027 120.974 119.914 0.054 0.000 2.487 123 V HA 0.556 4.914 4.120 0.077 -0.191 0.298 123 V C -1.078 175.044 176.094 0.047 0.000 1.028 123 V CA -1.912 60.413 62.300 0.042 0.000 0.860 123 V CB 2.863 34.626 31.823 -0.099 0.000 0.991 123 V HN -0.112 8.085 8.190 0.013 0.000 0.427 124 I N 7.368 127.955 120.570 0.029 0.000 2.282 124 I HA 0.186 4.453 4.170 -0.156 -0.191 0.290 124 I C -1.416 174.658 176.117 -0.071 0.000 1.090 124 I CA -0.729 60.522 61.300 -0.082 0.000 1.231 124 I CB 0.017 37.969 38.000 -0.080 0.000 1.434 124 I HN 0.240 8.496 8.210 0.077 0.000 0.487 125 L N 9.252 130.411 121.223 -0.106 0.000 2.260 125 L HA 0.553 5.009 4.340 -0.072 -0.159 0.289 125 L C -1.866 174.968 176.870 -0.060 0.000 1.057 125 L CA -1.305 53.483 54.840 -0.087 0.000 0.811 125 L CB 1.614 43.598 42.059 -0.126 0.000 1.184 125 L HN 0.354 8.501 8.230 -0.137 0.000 0.429 126 C N 8.083 127.356 119.300 -0.045 0.000 2.341 126 C HA 0.880 5.503 4.460 -0.071 -0.206 0.338 126 C C -0.548 174.411 174.990 -0.050 0.000 1.257 126 C CA -1.299 57.680 59.018 -0.064 0.000 1.883 126 C CB -0.016 27.668 27.740 -0.094 0.000 2.334 126 C HN 0.271 8.480 8.230 -0.036 0.000 0.524 127 I N -2.899 117.646 120.570 -0.041 0.000 2.969 127 I HA 0.442 4.677 4.170 -0.012 -0.072 0.307 127 I C -2.197 173.917 176.117 -0.005 0.000 1.149 127 I CA -2.280 59.023 61.300 0.004 0.000 1.008 127 I CB 3.714 41.752 38.000 0.064 0.000 1.232 127 I HN 0.525 8.704 8.210 -0.052 0.000 0.435 128 G N 0.167 108.978 108.800 0.019 0.000 2.358 128 G HA2 -0.013 4.048 3.960 0.169 0.000 0.301 128 G HA3 -0.013 4.084 3.960 -0.138 -0.219 0.301 128 G C -2.519 172.389 174.900 0.014 0.000 1.539 128 G CA 0.532 45.637 45.100 0.008 0.000 0.893 128 G HN -0.112 8.481 8.290 0.021 -0.290 0.636 129 E N -0.713 119.523 120.200 0.059 0.000 2.227 129 E HA 0.391 4.878 4.350 0.019 -0.125 0.268 129 E C 0.134 176.738 176.600 0.007 0.000 0.990 129 E CA -2.224 54.199 56.400 0.039 0.000 0.856 129 E CB 2.073 31.819 29.700 0.077 0.000 1.159 129 E HN -0.135 8.291 8.360 0.111 0.000 0.401 130 T N -1.908 112.645 114.554 -0.001 0.000 2.816 130 T HA 0.104 4.444 4.350 -0.017 0.000 0.282 130 T C 1.406 176.114 174.700 0.012 0.000 0.993 130 T CA -1.076 61.020 62.100 -0.007 0.000 0.994 130 T CB 1.540 70.399 68.868 -0.015 0.000 1.025 130 T HN 0.340 8.917 8.240 -0.001 -0.338 0.529 131 L N 2.453 123.683 121.223 0.013 0.000 2.012 131 L HA -0.281 4.078 4.340 0.031 0.000 0.210 131 L C 1.355 178.237 176.870 0.021 0.000 1.073 131 L CA 3.725 58.579 54.840 0.023 0.000 0.748 131 L CB -0.491 41.581 42.059 0.022 0.000 0.891 131 L HN 0.422 8.655 8.230 0.006 0.000 0.431 132 E N -2.648 117.560 120.200 0.013 0.000 2.077 132 E HA -0.414 3.944 4.350 0.013 0.000 0.193 132 E C 2.561 179.168 176.600 0.012 0.000 0.989 132 E CA 3.637 60.044 56.400 0.011 0.000 0.800 132 E CB -0.530 29.173 29.700 0.006 0.000 0.746 132 E HN 0.374 8.741 8.360 0.010 0.000 0.452 133 E N -0.825 119.382 120.200 0.012 0.000 2.047 133 E HA -0.330 4.024 4.350 0.008 0.000 0.191 133 E C 2.089 178.702 176.600 0.021 0.000 0.987 133 E CA 2.851 59.258 56.400 0.012 0.000 0.799 133 E CB -0.117 29.590 29.700 0.011 0.000 0.752 133 E HN -0.719 7.647 8.360 0.010 0.000 0.449 134 K N 0.368 120.787 120.400 0.033 0.000 2.026 134 K HA -0.260 4.088 4.320 0.047 0.000 0.208 134 K C 3.023 179.642 176.600 0.031 0.000 1.048 134 K CA 3.026 59.339 56.287 0.043 0.000 0.929 134 K CB -0.054 32.482 32.500 0.060 0.000 0.713 134 K HN -0.174 8.096 8.250 0.033 0.000 0.439 135 K N -0.910 119.505 120.400 0.026 0.000 2.147 135 K HA -0.227 4.106 4.320 0.023 0.000 0.205 135 K C 1.806 178.415 176.600 0.015 0.000 1.049 135 K CA 2.387 58.687 56.287 0.021 0.000 0.936 135 K CB -0.068 32.444 32.500 0.019 0.000 0.722 135 K HN -0.423 7.843 8.250 0.026 0.000 0.446 136 A N -3.658 119.169 122.820 0.013 0.000 2.238 136 A HA 0.096 4.420 4.320 0.008 0.000 0.208 136 A C 0.051 177.639 177.584 0.006 0.000 1.177 136 A CA -0.120 51.922 52.037 0.008 0.000 0.804 136 A CB -0.245 18.758 19.000 0.006 0.000 0.823 136 A HN -0.418 7.718 8.150 0.014 0.023 0.482 137 G N -1.628 107.177 108.800 0.009 0.000 2.136 137 G HA2 -0.358 3.607 3.960 0.008 0.000 0.242 137 G HA3 -0.358 3.604 3.960 0.003 0.000 0.242 137 G C 0.263 175.163 174.900 0.000 0.000 0.989 137 G CA 0.368 45.472 45.100 0.006 0.000 0.682 137 G HN -0.492 7.622 8.290 0.013 0.184 0.522 138 K N -1.796 118.606 120.400 0.002 0.000 2.372 138 K HA 0.310 4.622 4.320 -0.013 0.000 0.200 138 K C 0.653 177.249 176.600 -0.007 0.000 1.022 138 K CA -0.372 55.911 56.287 -0.006 0.000 1.125 138 K CB 0.098 32.595 32.500 -0.004 0.000 0.855 138 K HN -0.318 7.936 8.250 0.008 0.000 0.524 139 T N 2.411 116.969 114.554 0.006 0.000 2.597 139 T HA -0.377 3.998 4.350 0.043 0.000 0.267 139 T C 1.124 175.808 174.700 -0.027 0.000 1.053 139 T CA 5.010 67.121 62.100 0.019 0.000 1.165 139 T CB -0.464 68.430 68.868 0.043 0.000 0.863 139 T HN 0.107 8.294 8.240 0.011 0.060 0.427 140 L N -1.444 119.742 121.223 -0.062 0.000 2.109 140 L HA -0.221 4.031 4.340 -0.146 0.000 0.207 140 L C 1.608 178.391 176.870 -0.145 0.000 1.086 140 L CA 3.008 57.775 54.840 -0.122 0.000 0.760 140 L CB -0.514 41.472 42.059 -0.121 0.000 0.910 140 L HN -0.020 8.181 8.230 -0.048 0.000 0.437 141 D N -1.072 119.270 120.400 -0.098 0.000 2.117 141 D HA -0.290 4.277 4.640 -0.122 0.000 0.197 141 D C 2.413 178.662 176.300 -0.085 0.000 0.987 141 D CA 3.279 57.222 54.000 -0.094 0.000 0.829 141 D CB -0.779 39.988 40.800 -0.055 0.000 0.961 141 D HN -0.215 8.111 8.370 -0.073 0.000 0.460 142 V N -0.669 119.212 119.914 -0.055 0.000 2.270 142 V HA -0.359 3.743 4.120 -0.030 0.000 0.245 142 V C 1.659 177.727 176.094 -0.044 0.000 1.043 142 V CA 3.878 66.158 62.300 -0.033 0.000 1.014 142 V CB -0.506 31.314 31.823 -0.005 0.000 0.645 142 V HN -0.072 8.091 8.190 -0.046 0.000 0.447 143 V N -3.222 116.659 119.914 -0.055 0.000 2.515 143 V HA -0.197 4.070 4.120 -0.008 -0.152 0.250 143 V C 2.295 178.307 176.094 -0.137 0.000 1.058 143 V CA 3.250 65.517 62.300 -0.055 0.000 1.064 143 V CB -1.268 30.533 31.823 -0.037 0.000 0.675 143 V HN -0.515 7.642 8.190 -0.055 0.000 0.461 144 E N 0.830 120.861 120.200 -0.282 0.000 2.106 144 E HA -0.368 3.597 4.350 -0.641 0.000 0.192 144 E C 2.139 178.636 176.600 -0.172 0.000 0.984 144 E CA 3.390 59.497 56.400 -0.490 0.000 0.806 144 E CB -0.562 28.673 29.700 -0.776 0.000 0.750 144 E HN -0.200 8.000 8.360 -0.267 0.000 0.458 145 R N 0.341 120.785 120.500 -0.094 0.000 2.073 145 R HA -0.397 3.944 4.340 0.002 0.000 0.234 145 R C 2.285 178.596 176.300 0.020 0.000 1.134 145 R CA 3.551 59.642 56.100 -0.016 0.000 0.952 145 R CB -0.183 30.108 30.300 -0.016 0.000 0.850 145 R HN -0.354 7.849 8.270 -0.111 0.000 0.433 146 Q N -1.382 118.425 119.800 0.013 0.000 2.084 146 Q HA -0.309 4.055 4.340 0.040 0.000 0.202 146 Q C 2.946 178.992 176.000 0.077 0.000 0.978 146 Q CA 3.074 58.900 55.803 0.038 0.000 0.844 146 Q CB -0.056 28.698 28.738 0.027 0.000 0.898 146 Q HN -0.439 7.826 8.270 -0.009 0.000 0.426 147 L N -0.956 120.326 121.223 0.099 0.000 2.056 147 L HA -0.422 4.040 4.340 0.202 0.000 0.207 147 L C 1.748 178.747 176.870 0.215 0.000 1.078 147 L CA 2.821 57.779 54.840 0.197 0.000 0.749 147 L CB -0.328 41.898 42.059 0.279 0.000 0.901 147 L HN -0.061 8.204 8.230 0.059 0.000 0.433 148 N N -0.674 118.150 118.700 0.207 0.000 2.149 148 N HA -0.441 4.416 4.740 0.195 0.000 0.188 148 N C 2.015 177.595 175.510 0.117 0.000 1.019 148 N CA 3.519 56.676 53.050 0.179 0.000 0.857 148 N CB -0.153 38.437 38.487 0.171 0.000 0.997 148 N HN 0.019 8.508 8.380 0.182 0.000 0.426 149 A N -0.136 122.743 122.820 0.099 0.000 1.883 149 A HA -0.261 4.102 4.320 0.071 0.000 0.217 149 A C 1.481 179.118 177.584 0.088 0.000 1.186 149 A CA 2.868 54.953 52.037 0.081 0.000 0.624 149 A CB -0.329 18.712 19.000 0.069 0.000 0.822 149 A HN -0.678 7.518 8.150 0.096 0.012 0.444 150 V N -1.721 118.261 119.914 0.113 0.000 2.295 150 V HA -0.446 3.728 4.120 0.090 0.000 0.246 150 V C 2.008 178.199 176.094 0.162 0.000 1.049 150 V CA 3.822 66.200 62.300 0.130 0.000 1.024 150 V CB -0.514 31.404 31.823 0.159 0.000 0.648 150 V HN -0.868 7.394 8.190 0.121 0.000 0.447 151 L N -1.495 119.830 121.223 0.170 0.000 2.265 151 L HA -0.288 4.322 4.340 0.154 -0.178 0.215 151 L C 2.694 179.603 176.870 0.065 0.000 1.117 151 L CA 2.776 57.682 54.840 0.110 0.000 0.782 151 L CB -0.707 41.362 42.059 0.018 0.000 0.914 151 L HN 0.006 8.340 8.230 0.174 0.000 0.441 152 E N -0.887 119.352 120.200 0.064 0.000 2.153 152 E HA -0.336 4.034 4.350 0.032 0.000 0.194 152 E C 2.521 179.147 176.600 0.044 0.000 0.988 152 E CA 3.326 59.753 56.400 0.045 0.000 0.811 152 E CB -0.102 29.625 29.700 0.045 0.000 0.746 152 E HN -0.339 8.039 8.360 0.076 0.027 0.466 153 E N -3.804 116.430 120.200 0.057 0.000 2.340 153 E HA 0.057 4.430 4.350 0.039 0.000 0.198 153 E C 0.230 176.864 176.600 0.055 0.000 0.961 153 E CA 0.003 56.431 56.400 0.048 0.000 0.905 153 E CB 1.619 31.344 29.700 0.041 0.000 0.884 153 E HN -0.476 7.782 8.360 0.070 0.144 0.491 154 V N 1.141 121.112 119.914 0.094 0.000 2.407 154 V HA 0.100 4.270 4.120 0.083 0.000 0.291 154 V C -0.918 175.279 176.094 0.172 0.000 1.018 154 V CA -1.705 60.674 62.300 0.130 0.000 0.842 154 V CB 0.972 32.891 31.823 0.159 0.000 0.996 154 V HN -0.010 8.246 8.190 0.110 0.000 0.426 155 K N 4.285 124.751 120.400 0.111 0.000 2.355 155 K HA 0.147 4.486 4.320 0.032 0.000 0.198 155 K C -0.897 175.747 176.600 0.073 0.000 1.039 155 K CA -0.880 55.443 56.287 0.060 0.000 1.075 155 K CB 0.726 33.238 32.500 0.019 0.000 0.870 155 K HN 0.396 8.699 8.250 0.088 0.000 0.540 156 D N -1.372 119.124 120.400 0.159 0.000 2.736 156 D HA 0.074 4.784 4.640 0.115 0.000 0.243 156 D C -0.967 175.510 176.300 0.295 0.000 1.304 156 D CA -0.558 53.533 54.000 0.152 0.000 0.934 156 D CB 0.943 41.782 40.800 0.066 0.000 1.382 156 D HN -0.502 7.981 8.370 0.189 0.000 0.571 157 F N 3.987 123.917 119.950 -0.033 0.000 2.639 157 F HA 0.267 4.776 4.527 -0.031 0.000 0.300 157 F C 1.400 177.184 175.800 -0.026 0.000 1.109 157 F CA -1.921 56.061 58.000 -0.031 0.000 1.335 157 F CB 0.125 39.106 39.000 -0.033 0.000 1.014 157 F HN 0.355 8.847 8.300 0.320 0.000 0.537 158 T N 2.398 117.022 114.554 0.117 0.000 2.737 158 T HA -0.319 4.072 4.350 0.069 0.000 0.269 158 T C 0.104 174.822 174.700 0.029 0.000 1.040 158 T CA 4.719 66.855 62.100 0.060 0.000 1.142 158 T CB -0.184 68.703 68.868 0.032 0.000 0.861 158 T HN -0.201 8.347 8.240 0.115 -0.239 0.456 159 N N -1.043 117.650 118.700 -0.012 0.000 2.380 159 N HA 0.071 4.803 4.740 -0.013 0.000 0.255 159 N C -2.022 173.454 175.510 -0.056 0.000 1.158 159 N CA -0.441 52.583 53.050 -0.044 0.000 0.878 159 N CB 0.342 38.769 38.487 -0.099 0.000 1.138 159 N HN 0.110 8.462 8.380 -0.018 0.017 0.509 160 V N 0.189 120.057 119.914 -0.076 0.000 2.581 160 V HA 0.692 4.913 4.120 -0.144 -0.187 0.303 160 V C -1.378 174.651 176.094 -0.108 0.000 1.041 160 V CA -1.891 60.308 62.300 -0.168 0.000 0.907 160 V CB 2.481 34.003 31.823 -0.502 0.000 0.994 160 V HN -0.566 7.514 8.190 -0.041 0.085 0.442 161 V N 4.245 124.052 119.914 -0.179 0.000 2.588 161 V HA 0.291 4.372 4.120 -0.233 -0.101 0.304 161 V C -1.477 174.477 176.094 -0.234 0.000 1.042 161 V CA -2.180 59.939 62.300 -0.301 0.000 0.877 161 V CB 3.090 34.477 31.823 -0.726 0.000 0.996 161 V HN 0.584 8.675 8.190 -0.164 0.000 0.425 162 V N 7.010 126.834 119.914 -0.149 0.000 2.465 162 V HA 0.275 4.503 4.120 -0.086 -0.159 0.279 162 V C -1.768 174.255 176.094 -0.119 0.000 1.045 162 V CA -1.672 60.575 62.300 -0.088 0.000 0.938 162 V CB 0.901 32.728 31.823 0.007 0.000 0.986 162 V HN 0.231 8.344 8.190 -0.129 0.000 0.467 163 A N 7.985 130.749 122.820 -0.094 0.000 2.267 163 A HA 0.392 4.802 4.320 -0.085 -0.141 0.315 163 A C -2.375 175.179 177.584 -0.050 0.000 1.297 163 A CA -1.981 50.004 52.037 -0.086 0.000 0.865 163 A CB 2.191 21.135 19.000 -0.093 0.000 1.165 163 A HN 0.808 8.908 8.150 -0.082 0.000 0.513 164 Y N 7.435 127.647 120.300 -0.146 0.000 2.452 164 Y HA 0.202 4.836 4.550 -0.100 -0.144 0.348 164 Y C -1.939 173.905 175.900 -0.092 0.000 0.985 164 Y CA -2.076 55.964 58.100 -0.100 0.000 1.214 164 Y CB 0.670 39.056 38.460 -0.122 0.000 1.136 164 Y HN 0.388 8.686 8.280 0.031 0.000 0.523 165 E N 9.010 128.793 120.200 -0.695 0.000 2.331 165 E HA 0.686 4.805 4.350 -0.764 -0.227 0.243 165 E C -2.107 174.128 176.600 -0.608 0.000 0.925 165 E CA -3.636 52.371 56.400 -0.655 0.000 0.760 165 E CB 1.852 31.295 29.700 -0.429 0.000 1.254 165 E HN 0.297 8.349 8.360 -0.514 0.000 0.419 166 P HA -0.173 4.102 4.420 -0.242 0.000 0.264 166 P C 0.039 177.240 177.300 -0.165 0.000 1.193 166 P CA -0.343 62.593 63.100 -0.274 0.000 0.763 166 P CB 0.159 31.817 31.700 -0.069 0.000 0.810 170 I N 1.840 122.408 120.570 -0.003 0.000 2.421 170 I HA -0.231 3.940 4.170 0.002 0.000 0.291 170 I C 0.306 176.449 176.117 0.044 0.000 1.089 170 I CA 0.751 62.055 61.300 0.006 0.000 1.354 170 I CB -0.259 37.735 38.000 -0.011 0.000 1.413 170 I HN -0.421 7.672 8.210 -0.016 0.107 0.513 171 G N 7.149 115.981 108.800 0.053 0.000 2.184 171 G HA2 -0.271 3.722 3.960 0.056 0.000 0.264 171 G HA3 -0.271 3.728 3.960 0.065 0.000 0.264 171 G C 0.748 175.681 174.900 0.054 0.000 0.975 171 G CA 1.145 46.280 45.100 0.058 0.000 0.642 171 G HN 0.460 8.780 8.290 0.049 0.000 0.536 172 T N -0.435 114.151 114.554 0.054 0.000 3.037 172 T HA 0.003 4.382 4.350 0.048 0.000 0.251 172 T C 1.581 176.312 174.700 0.053 0.000 1.079 172 T CA -0.083 62.048 62.100 0.052 0.000 1.067 172 T CB 0.950 69.848 68.868 0.050 0.000 0.948 172 T HN -0.528 7.692 8.240 0.056 0.053 0.496 173 G N 2.974 111.811 108.800 0.061 0.000 2.205 173 G HA2 -0.374 3.628 3.960 0.070 0.000 0.261 173 G HA3 -0.374 3.619 3.960 0.055 0.000 0.261 173 G C -0.712 174.234 174.900 0.076 0.000 0.980 173 G CA 0.405 45.544 45.100 0.065 0.000 0.632 173 G HN -0.200 8.129 8.290 0.065 0.000 0.533 174 L N 2.536 123.807 121.223 0.081 0.000 2.422 174 L HA 0.096 4.484 4.340 0.080 0.000 0.256 174 L C -1.152 175.794 176.870 0.128 0.000 1.202 174 L CA -1.320 53.572 54.840 0.087 0.000 1.119 174 L CB -1.806 40.294 42.059 0.069 0.000 1.383 174 L HN -0.712 7.474 8.230 0.075 0.089 0.411 175 A N 1.833 124.750 122.820 0.160 0.000 2.322 175 A HA 0.158 4.767 4.320 0.322 -0.096 0.269 175 A C -0.349 177.360 177.584 0.209 0.000 1.094 175 A CA -0.957 51.235 52.037 0.258 0.000 0.807 175 A CB 1.170 20.355 19.000 0.308 0.000 1.047 175 A HN -0.482 7.751 8.150 0.139 0.000 0.487 176 A N 3.146 126.122 122.820 0.260 0.000 2.507 176 A HA -0.101 4.303 4.320 0.139 0.000 0.235 176 A C 0.365 177.969 177.584 0.034 0.000 1.070 176 A CA 0.256 52.380 52.037 0.144 0.000 0.768 176 A CB 0.451 19.571 19.000 0.200 0.000 1.011 176 A HN -0.087 8.320 8.150 0.428 0.000 0.502 177 T N -0.911 113.636 114.554 -0.011 0.000 2.898 177 T HA 0.113 4.366 4.350 -0.161 0.000 0.301 177 T C 0.119 174.677 174.700 -0.238 0.000 1.049 177 T CA -1.856 60.168 62.100 -0.125 0.000 1.095 177 T CB 0.167 68.980 68.868 -0.093 0.000 0.976 177 T HN -0.014 8.238 8.240 0.020 0.000 0.539 178 P HA -0.197 3.764 4.420 -0.764 0.000 0.216 178 P C 1.538 178.701 177.300 -0.228 0.000 1.150 178 P CA 2.669 65.385 63.100 -0.640 0.000 0.837 178 P CB -0.021 31.182 31.700 -0.829 0.000 0.786 179 E N -3.050 117.051 120.200 -0.166 0.000 2.072 179 E HA -0.294 4.009 4.350 -0.079 0.000 0.191 179 E C 2.158 178.732 176.600 -0.043 0.000 0.985 179 E CA 3.740 60.089 56.400 -0.085 0.000 0.801 179 E CB -0.855 28.803 29.700 -0.070 0.000 0.750 179 E HN 0.239 8.476 8.360 -0.188 0.011 0.452 180 D N -0.283 120.101 120.400 -0.027 0.000 2.117 180 D HA -0.209 4.442 4.640 0.018 0.000 0.198 180 D C 2.108 178.444 176.300 0.061 0.000 0.982 180 D CA 2.962 56.976 54.000 0.023 0.000 0.828 180 D CB -0.311 40.517 40.800 0.047 0.000 0.967 180 D HN -0.548 7.794 8.370 -0.046 0.000 0.464 181 A N -0.105 122.758 122.820 0.071 0.000 1.865 181 A HA -0.418 4.060 4.320 0.263 0.000 0.217 181 A C 1.701 179.270 177.584 -0.025 0.000 1.191 181 A CA 3.494 55.598 52.037 0.111 0.000 0.623 181 A CB -0.513 18.535 19.000 0.081 0.000 0.826 181 A HN -0.080 8.092 8.150 0.037 0.000 0.444 182 Q N -0.915 118.850 119.800 -0.057 0.000 2.077 182 Q HA -0.385 3.893 4.340 -0.104 0.000 0.206 182 Q C 2.099 178.104 176.000 0.008 0.000 0.989 182 Q CA 2.888 58.660 55.803 -0.052 0.000 0.853 182 Q CB -0.540 28.178 28.738 -0.032 0.000 0.907 182 Q HN -0.224 8.023 8.270 -0.038 0.000 0.418 183 D N -0.522 119.883 120.400 0.008 0.000 2.117 183 D HA -0.272 4.374 4.640 0.010 0.000 0.197 183 D C 2.498 178.804 176.300 0.011 0.000 0.987 183 D CA 3.443 57.449 54.000 0.010 0.000 0.829 183 D CB -0.327 40.474 40.800 0.003 0.000 0.961 183 D HN -0.580 7.790 8.370 0.001 0.000 0.460 184 I N -0.560 120.013 120.570 0.004 0.000 2.179 184 I HA -0.578 3.535 4.170 -0.096 0.000 0.242 184 I C 1.739 177.838 176.117 -0.029 0.000 1.088 184 I CA 4.285 65.537 61.300 -0.079 0.000 1.357 184 I CB -0.074 37.782 38.000 -0.241 0.000 1.051 184 I HN -0.593 7.629 8.210 0.021 0.000 0.409 185 H N -0.734 118.269 119.070 -0.111 0.000 2.353 185 H HA -0.391 4.118 4.556 -0.080 0.000 0.300 185 H C 2.210 177.524 175.328 -0.023 0.000 1.090 185 H CA 3.420 59.437 56.048 -0.052 0.000 1.327 185 H CB 0.028 29.802 29.762 0.021 0.000 1.383 185 H HN -0.081 8.364 8.280 0.275 0.000 0.508 186 A N -1.406 121.483 122.820 0.114 0.000 1.902 186 A HA -0.328 4.033 4.320 0.069 0.000 0.217 186 A C 2.067 179.675 177.584 0.040 0.000 1.181 186 A CA 3.163 55.238 52.037 0.063 0.000 0.623 186 A CB -0.958 18.067 19.000 0.042 0.000 0.818 186 A HN 0.042 8.261 8.150 0.115 0.000 0.443 187 S N -1.052 114.659 115.700 0.019 0.000 2.356 187 S HA -0.265 4.218 4.470 0.021 0.000 0.223 187 S C 2.065 176.681 174.600 0.027 0.000 1.032 187 S CA 3.144 61.349 58.200 0.008 0.000 1.005 187 S CB -0.202 62.979 63.200 -0.032 0.000 0.867 187 S HN -0.627 7.691 8.310 0.014 0.000 0.449 188 I N 2.232 122.798 120.570 -0.007 0.000 2.208 188 I HA -0.558 3.645 4.170 0.055 0.000 0.245 188 I C 1.549 177.729 176.117 0.104 0.000 1.097 188 I CA 4.451 65.771 61.300 0.033 0.000 1.363 188 I CB -0.295 37.667 38.000 -0.063 0.000 1.051 188 I HN -0.097 8.091 8.210 -0.038 0.000 0.413 189 R N -0.676 119.856 120.500 0.055 0.000 2.081 189 R HA -0.399 3.957 4.340 0.026 0.000 0.235 189 R C 2.200 178.518 176.300 0.031 0.000 1.131 189 R CA 3.910 60.032 56.100 0.037 0.000 0.960 189 R CB -0.217 30.105 30.300 0.036 0.000 0.856 189 R HN -0.206 8.090 8.270 0.043 0.000 0.436 190 K N -1.389 119.040 120.400 0.048 0.000 2.097 190 K HA -0.356 3.969 4.320 0.009 0.000 0.206 190 K C 2.032 178.662 176.600 0.049 0.000 1.049 190 K CA 3.528 59.837 56.287 0.036 0.000 0.933 190 K CB -0.241 32.284 32.500 0.041 0.000 0.717 190 K HN -0.604 7.678 8.250 0.053 0.000 0.442 191 F N 1.411 121.330 119.950 -0.051 0.000 2.095 191 F HA -0.349 4.147 4.527 -0.052 0.000 0.298 191 F C 1.581 177.332 175.800 -0.082 0.000 1.104 191 F CA 3.326 61.290 58.000 -0.059 0.000 1.232 191 F CB 0.077 39.043 39.000 -0.057 0.000 0.987 191 F HN -0.511 7.925 8.300 0.226 0.000 0.475 192 L N -1.969 119.151 121.223 -0.170 0.000 2.141 192 L HA -0.409 3.590 4.340 -0.570 0.000 0.209 192 L C 1.709 178.409 176.870 -0.284 0.000 1.094 192 L CA 2.370 57.007 54.840 -0.338 0.000 0.763 192 L CB -0.640 41.306 42.059 -0.188 0.000 0.908 192 L HN 0.109 8.373 8.230 0.055 0.000 0.437 193 A N -0.454 122.265 122.820 -0.169 0.000 1.940 193 A HA -0.245 4.173 4.320 -0.130 -0.176 0.219 193 A C 2.317 179.804 177.584 -0.161 0.000 1.176 193 A CA 2.900 54.856 52.037 -0.134 0.000 0.631 193 A CB -0.561 18.394 19.000 -0.076 0.000 0.814 193 A HN 0.110 8.189 8.150 -0.118 0.000 0.446 194 S N -4.162 111.420 115.700 -0.197 0.000 2.453 194 S HA -0.180 4.207 4.470 -0.138 0.000 0.231 194 S C 1.050 175.507 174.600 -0.239 0.000 1.005 194 S CA 2.751 60.836 58.200 -0.191 0.000 0.949 194 S CB -0.196 62.899 63.200 -0.174 0.000 0.774 194 S HN -0.492 7.676 8.310 -0.207 0.018 0.510 195 K N -0.118 120.080 120.400 -0.335 0.000 2.287 195 K HA 0.094 4.250 4.320 -0.272 0.000 0.199 195 K C 1.080 177.523 176.600 -0.262 0.000 1.061 195 K CA 1.053 57.140 56.287 -0.333 0.000 0.976 195 K CB 1.159 33.364 32.500 -0.490 0.000 0.898 195 K HN -0.611 7.243 8.250 -0.378 0.169 0.492 196 L N -4.674 116.387 121.223 -0.269 0.000 2.701 196 L HA 0.204 4.423 4.340 -0.203 0.000 0.238 196 L C -0.491 176.292 176.870 -0.146 0.000 1.106 196 L CA -0.298 54.407 54.840 -0.226 0.000 0.898 196 L CB 1.856 43.730 42.059 -0.309 0.000 1.188 196 L HN -0.353 7.706 8.230 -0.285 0.000 0.508 197 G N -1.312 107.409 108.800 -0.133 0.000 2.699 197 G HA2 -0.304 3.634 3.960 -0.086 0.000 0.686 197 G HA3 -0.304 3.610 3.960 -0.077 0.000 0.686 197 G C -1.476 173.377 174.900 -0.078 0.000 1.301 197 G CA -0.787 44.258 45.100 -0.091 0.000 0.816 197 G HN -0.799 7.398 8.290 -0.155 0.000 0.595 198 D N 0.700 121.066 120.400 -0.056 0.000 2.144 198 D HA -0.340 4.272 4.640 -0.045 0.000 0.199 198 D C 2.031 178.312 176.300 -0.031 0.000 0.984 198 D CA 3.072 57.047 54.000 -0.042 0.000 0.834 198 D CB 0.029 40.811 40.800 -0.030 0.000 0.955 198 D HN 0.260 8.598 8.370 -0.052 0.000 0.465 199 K N -0.411 119.973 120.400 -0.028 0.000 2.025 199 K HA -0.306 4.007 4.320 -0.011 0.000 0.207 199 K C 1.674 178.265 176.600 -0.015 0.000 1.049 199 K CA 2.807 59.084 56.287 -0.016 0.000 0.933 199 K CB -0.034 32.458 32.500 -0.013 0.000 0.714 199 K HN -0.049 8.182 8.250 -0.031 0.000 0.438 200 A N -1.935 120.869 122.820 -0.027 0.000 1.902 200 A HA -0.242 4.077 4.320 -0.003 0.000 0.217 200 A C 1.793 179.361 177.584 -0.026 0.000 1.181 200 A CA 2.642 54.665 52.037 -0.023 0.000 0.623 200 A CB -0.791 18.182 19.000 -0.046 0.000 0.818 200 A HN 0.044 8.172 8.150 -0.036 0.000 0.443 201 A N -2.816 119.976 122.820 -0.048 0.000 1.933 201 A HA -0.333 3.960 4.320 -0.045 0.000 0.218 201 A C 1.886 179.466 177.584 -0.007 0.000 1.175 201 A CA 2.885 54.898 52.037 -0.040 0.000 0.628 201 A CB -0.752 18.215 19.000 -0.055 0.000 0.814 201 A HN -0.300 7.815 8.150 -0.059 0.000 0.444 202 S N -3.987 111.711 115.700 -0.003 0.000 2.453 202 S HA -0.285 4.194 4.470 0.015 0.000 0.231 202 S C 1.994 176.608 174.600 0.022 0.000 1.005 202 S CA 2.775 60.981 58.200 0.011 0.000 0.949 202 S CB -0.160 63.045 63.200 0.008 0.000 0.774 202 S HN -0.356 7.935 8.310 -0.011 0.013 0.510 203 E N 0.859 121.072 120.200 0.022 0.000 2.400 203 E HA 0.017 4.389 4.350 0.037 0.000 0.195 203 E C -0.145 176.480 176.600 0.041 0.000 1.012 203 E CA 0.194 56.614 56.400 0.033 0.000 0.875 203 E CB 0.527 30.246 29.700 0.032 0.000 0.859 203 E HN -0.723 7.495 8.360 0.014 0.150 0.498 204 L N 1.554 122.800 121.223 0.039 0.000 2.418 204 L HA 0.026 4.398 4.340 0.053 0.000 0.274 204 L C -1.041 175.845 176.870 0.025 0.000 1.135 204 L CA -0.193 54.675 54.840 0.046 0.000 0.870 204 L CB 0.615 42.712 42.059 0.064 0.000 1.154 204 L HN -0.798 7.451 8.230 0.030 0.000 0.462 205 R N 6.837 127.331 120.500 -0.011 0.000 2.347 205 R HA 0.045 4.589 4.340 0.002 -0.203 0.304 205 R C -0.607 175.648 176.300 -0.075 0.000 1.072 205 R CA -0.242 55.831 56.100 -0.046 0.000 0.980 205 R CB -0.055 30.173 30.300 -0.120 0.000 0.986 205 R HN 0.489 8.748 8.270 -0.019 0.000 0.448 206 I N 4.388 124.942 120.570 -0.027 0.000 2.390 206 I HA 0.533 4.843 4.170 -0.106 -0.203 0.283 206 I C -1.088 175.044 176.117 0.025 0.000 1.016 206 I CA -1.077 60.185 61.300 -0.062 0.000 1.151 206 I CB 0.828 38.762 38.000 -0.111 0.000 1.293 206 I HN 0.329 8.886 8.210 0.019 -0.335 0.458 207 L N 5.331 126.535 121.223 -0.033 0.000 2.379 207 L HA 0.321 4.786 4.340 -0.020 -0.137 0.269 207 L C -1.141 175.850 176.870 0.200 0.000 1.084 207 L CA -1.356 53.491 54.840 0.012 0.000 0.802 207 L CB 1.191 43.208 42.059 -0.070 0.000 1.175 207 L HN 0.720 8.891 8.230 -0.098 0.000 0.448 208 Y N 2.567 122.906 120.300 0.064 0.000 2.323 208 Y HA 0.503 5.384 4.550 0.295 -0.154 0.331 208 Y C -0.806 175.150 175.900 0.093 0.000 1.092 208 Y CA -1.426 56.750 58.100 0.127 0.000 1.150 208 Y CB 2.752 41.161 38.460 -0.084 0.000 1.200 208 Y HN -0.056 8.233 8.280 0.015 0.000 0.472 209 G N 3.370 111.551 108.800 -1.032 0.000 2.660 209 G HA2 0.629 4.342 3.960 -0.514 0.000 0.294 209 G HA3 0.629 4.572 3.960 -0.421 -0.235 0.294 209 G C -2.416 171.889 174.900 -0.992 0.000 1.369 209 G CA -1.063 43.577 45.100 -0.767 0.000 0.912 209 G HN 0.266 7.912 8.290 -1.074 0.000 0.479 210 G N -1.303 107.248 108.800 -0.416 0.000 2.491 210 G HA2 -0.243 3.693 3.960 -0.103 0.000 0.508 210 G HA3 -0.243 3.602 3.960 -0.191 0.000 0.508 210 G C -1.154 173.795 174.900 0.082 0.000 1.143 210 G CA -0.299 44.704 45.100 -0.162 0.000 1.277 210 G HN 0.008 8.145 8.290 -0.255 0.000 0.599 211 S N -1.371 114.375 115.700 0.078 0.000 3.698 211 S HA -0.425 4.096 4.470 0.085 0.000 0.338 211 S C -0.998 173.700 174.600 0.164 0.000 1.089 211 S CA 1.278 59.550 58.200 0.119 0.000 0.991 211 S CB -1.067 62.208 63.200 0.126 0.000 0.909 211 S HN 0.311 8.645 8.310 0.040 0.000 0.485 212 A N -0.819 122.084 122.820 0.140 0.000 2.409 212 A HA -0.101 4.429 4.320 0.111 -0.144 0.267 212 A C -1.298 176.272 177.584 -0.024 0.000 1.127 212 A CA -0.072 52.001 52.037 0.059 0.000 0.795 212 A CB 1.022 20.019 19.000 -0.005 0.000 1.061 212 A HN -0.168 8.008 8.150 0.103 0.036 0.502 213 N N 1.259 119.928 118.700 -0.050 0.000 2.902 213 N HA 0.310 5.046 4.740 -0.007 0.000 0.268 213 N C 0.941 176.425 175.510 -0.044 0.000 1.450 213 N CA -0.936 52.102 53.050 -0.019 0.000 0.819 213 N CB 1.758 40.259 38.487 0.025 0.000 1.540 213 N HN 0.089 8.791 8.380 -0.056 -0.355 0.545 214 G N -2.104 106.693 108.800 -0.005 0.000 2.448 214 G HA2 -0.227 3.725 3.960 -0.014 0.000 0.219 214 G HA3 -0.227 3.741 3.960 0.014 0.000 0.219 214 G C 0.359 175.262 174.900 0.006 0.000 1.127 214 G CA 1.844 46.944 45.100 -0.001 0.000 0.766 214 G HN 0.200 8.822 8.290 0.014 -0.324 0.552 215 S N 0.305 116.014 115.700 0.015 0.000 2.404 215 S HA 0.064 4.547 4.470 0.021 0.000 0.223 215 S C 1.230 175.853 174.600 0.039 0.000 1.040 215 S CA 1.751 59.965 58.200 0.024 0.000 0.957 215 S CB 0.372 63.587 63.200 0.025 0.000 0.826 215 S HN -0.467 8.000 8.310 0.016 -0.147 0.491 216 N N -0.293 118.442 118.700 0.058 0.000 2.422 216 N HA 0.012 4.805 4.740 0.088 0.000 0.181 216 N C 1.893 177.531 175.510 0.212 0.000 1.080 216 N CA 1.261 54.385 53.050 0.122 0.000 0.893 216 N CB -0.105 38.484 38.487 0.170 0.000 0.973 216 N HN -0.372 8.347 8.380 0.048 -0.310 0.456 217 A N 1.401 124.257 122.820 0.060 0.000 1.908 217 A HA -0.267 4.030 4.320 -0.040 0.000 0.218 217 A C 1.505 179.279 177.584 0.317 0.000 1.181 217 A CA 3.312 55.354 52.037 0.009 0.000 0.627 217 A CB -0.818 17.988 19.000 -0.324 0.000 0.818 217 A HN -0.428 7.716 8.150 -0.009 0.000 0.445 218 V N -2.221 117.799 119.914 0.177 0.000 2.720 218 V HA -0.233 3.983 4.120 0.160 0.000 0.256 218 V C 1.404 177.580 176.094 0.136 0.000 1.082 218 V CA 2.392 64.778 62.300 0.144 0.000 1.101 218 V CB -0.562 31.302 31.823 0.068 0.000 0.693 218 V HN 0.037 8.295 8.190 0.113 0.000 0.479 219 T N -0.307 114.317 114.554 0.116 0.000 3.051 219 T HA -0.184 4.137 4.350 -0.048 0.000 0.269 219 T C 1.107 175.722 174.700 -0.141 0.000 1.127 219 T CA 2.869 64.936 62.100 -0.056 0.000 1.107 219 T CB -0.421 68.340 68.868 -0.180 0.000 0.898 219 T HN -0.269 7.913 8.240 0.151 0.149 0.517 220 F N 0.224 120.247 119.950 0.121 0.000 2.727 220 F HA 0.191 4.749 4.527 0.051 0.000 0.302 220 F C 0.676 176.528 175.800 0.088 0.000 1.097 220 F CA 0.360 58.434 58.000 0.124 0.000 1.330 220 F CB 0.313 39.474 39.000 0.270 0.000 1.084 220 F HN -0.570 7.967 8.300 0.495 0.061 0.578 221 K N 1.139 121.657 120.400 0.196 0.000 2.152 221 K HA -0.300 4.076 4.320 0.093 0.000 0.206 221 K C -0.255 176.370 176.600 0.041 0.000 1.048 221 K CA 2.941 59.284 56.287 0.093 0.000 0.933 221 K CB -0.114 32.410 32.500 0.039 0.000 0.721 221 K HN -0.741 7.544 8.250 0.170 0.067 0.447 222 D N -3.420 116.999 120.400 0.033 0.000 2.388 222 D HA 0.139 4.782 4.640 0.005 0.000 0.221 222 D C -0.676 175.633 176.300 0.015 0.000 1.133 222 D CA -0.184 53.822 54.000 0.010 0.000 0.831 222 D CB -0.213 40.584 40.800 -0.006 0.000 0.962 222 D HN 0.037 8.394 8.370 0.036 0.034 0.502 223 K N 1.415 121.839 120.400 0.040 0.000 2.250 223 K HA 0.253 4.581 4.320 0.014 0.000 0.280 223 K C -0.162 176.461 176.600 0.038 0.000 1.098 223 K CA -2.256 54.051 56.287 0.034 0.000 0.916 223 K CB -1.532 31.001 32.500 0.056 0.000 1.209 223 K HN -0.730 7.487 8.250 0.067 0.074 0.461 224 A N 5.886 128.724 122.820 0.029 0.000 2.067 224 A HA -0.199 4.143 4.320 0.037 0.000 0.219 224 A C 0.158 177.776 177.584 0.056 0.000 1.158 224 A CA 2.666 54.725 52.037 0.037 0.000 0.661 224 A CB -0.035 18.982 19.000 0.027 0.000 0.801 224 A HN 0.861 9.024 8.150 0.021 0.000 0.452 225 D N -4.663 115.773 120.400 0.060 0.000 2.349 225 D HA 0.181 4.884 4.640 0.104 0.000 0.214 225 D C -1.304 175.102 176.300 0.177 0.000 1.063 225 D CA 0.456 54.520 54.000 0.107 0.000 0.847 225 D CB 1.158 42.026 40.800 0.113 0.000 0.933 225 D HN -0.375 8.284 8.370 0.044 -0.263 0.513 226 V N 1.274 121.232 119.914 0.073 0.000 2.333 226 V HA 0.153 4.493 4.120 0.158 -0.125 0.274 226 V C -1.056 175.079 176.094 0.069 0.000 1.028 226 V CA -0.675 61.641 62.300 0.028 0.000 0.851 226 V CB -0.425 31.323 31.823 -0.124 0.000 1.000 226 V HN -0.691 7.465 8.190 0.047 0.063 0.456 227 D N 6.326 126.779 120.400 0.087 0.000 2.402 227 D HA 0.213 4.972 4.640 0.197 0.000 0.216 227 D C -0.610 175.717 176.300 0.045 0.000 1.128 227 D CA -0.206 53.867 54.000 0.122 0.000 0.833 227 D CB 1.456 42.312 40.800 0.094 0.000 0.971 227 D HN 0.408 8.847 8.370 0.114 0.000 0.503 228 G N -3.250 105.413 108.800 -0.229 0.000 2.339 228 G HA2 0.032 3.434 3.960 -0.930 0.000 0.275 228 G HA3 0.032 3.878 3.960 -0.587 -0.238 0.275 228 G C -3.178 171.223 174.900 -0.832 0.000 1.323 228 G CA 0.044 44.742 45.100 -0.670 0.000 0.927 228 G HN -0.656 7.407 8.290 -0.265 0.068 0.486 229 F N -3.609 116.282 119.950 -0.098 0.000 2.588 229 F HA 0.841 5.589 4.527 -0.011 -0.227 0.310 229 F C -1.885 173.925 175.800 0.017 0.000 1.082 229 F CA -1.515 56.469 58.000 -0.026 0.000 0.929 229 F CB 5.069 44.059 39.000 -0.016 0.000 1.254 229 F HN -0.129 8.070 8.300 -0.169 0.000 0.455 230 L N 2.306 123.634 121.223 0.174 0.000 2.276 230 L HA 0.422 5.002 4.340 0.172 -0.136 0.286 230 L C -1.993 174.952 176.870 0.125 0.000 1.024 230 L CA -1.094 53.823 54.840 0.129 0.000 0.826 230 L CB 1.919 44.007 42.059 0.048 0.000 1.211 230 L HN 0.047 8.352 8.230 0.124 0.000 0.422 231 V N 6.111 126.127 119.914 0.170 0.000 2.417 231 V HA 0.300 4.488 4.120 0.113 0.000 0.291 231 V C -0.569 175.579 176.094 0.089 0.000 1.024 231 V CA -1.870 60.520 62.300 0.151 0.000 0.861 231 V CB 1.724 33.714 31.823 0.279 0.000 0.985 231 V HN 0.300 8.608 8.190 0.197 0.000 0.436 232 G N 6.978 115.816 108.800 0.063 0.000 2.548 232 G HA2 -0.060 4.127 3.960 0.050 0.000 0.221 232 G HA3 -0.060 3.933 3.960 0.055 0.000 0.221 232 G C 1.016 175.927 174.900 0.018 0.000 1.796 232 G CA 0.864 45.992 45.100 0.048 0.000 0.889 232 G HN 0.403 8.730 8.290 0.061 0.000 0.599 233 G N 1.176 109.987 108.800 0.018 0.000 2.469 233 G HA2 -0.279 3.671 3.960 -0.017 0.000 0.219 233 G HA3 -0.279 3.684 3.960 0.005 0.000 0.219 233 G C 1.521 176.404 174.900 -0.028 0.000 1.150 233 G CA 2.156 47.252 45.100 -0.006 0.000 0.763 233 G HN 0.200 8.509 8.290 0.032 0.000 0.561 234 A N -0.063 122.758 122.820 0.002 0.000 2.168 234 A HA -0.188 4.133 4.320 0.002 0.000 0.215 234 A C 1.262 178.830 177.584 -0.027 0.000 1.152 234 A CA 1.530 53.578 52.037 0.017 0.000 0.716 234 A CB -0.752 18.288 19.000 0.065 0.000 0.794 234 A HN 0.334 8.496 8.150 0.021 0.000 0.465 235 S N -1.109 114.495 115.700 -0.160 0.000 2.515 235 S HA -0.176 3.717 4.470 -0.961 0.000 0.231 235 S C 0.880 175.162 174.600 -0.530 0.000 0.987 235 S CA 2.773 60.622 58.200 -0.586 0.000 0.936 235 S CB -0.069 62.808 63.200 -0.539 0.000 0.766 235 S HN -0.238 7.856 8.310 -0.100 0.156 0.528 236 L N -0.140 120.869 121.223 -0.356 0.000 2.591 236 L HA 0.017 3.995 4.340 -0.603 0.000 0.228 236 L C -0.204 176.524 176.870 -0.238 0.000 1.133 236 L CA 0.026 54.628 54.840 -0.396 0.000 0.880 236 L CB -0.255 41.625 42.059 -0.299 0.000 1.033 236 L HN -0.922 7.106 8.230 -0.249 0.052 0.450 237 K N -2.173 118.146 120.400 -0.135 0.000 2.340 237 K HA 0.424 4.705 4.320 -0.066 0.000 0.244 237 K C -1.508 175.102 176.600 0.018 0.000 0.973 237 K CA -2.729 53.528 56.287 -0.051 0.000 0.828 237 K CB 0.335 32.821 32.500 -0.023 0.000 1.226 237 K HN -0.918 7.170 8.250 -0.136 0.080 0.437 238 P HA -0.266 4.189 4.420 0.057 0.000 0.217 238 P C 0.807 178.154 177.300 0.079 0.000 1.148 238 P CA 2.457 65.586 63.100 0.049 0.000 0.828 238 P CB -0.086 31.628 31.700 0.023 0.000 0.783 239 E N -3.442 116.801 120.200 0.072 0.000 2.409 239 E HA -0.251 4.268 4.350 0.055 -0.137 0.198 239 E C 1.423 178.101 176.600 0.130 0.000 1.024 239 E CA 1.848 58.293 56.400 0.075 0.000 0.861 239 E CB -1.572 28.159 29.700 0.051 0.000 0.788 239 E HN 0.398 8.765 8.360 0.055 0.026 0.521 240 F N 2.236 122.180 119.950 -0.009 0.000 2.154 240 F HA -0.399 4.126 4.527 -0.003 0.000 0.301 240 F C 1.027 176.837 175.800 0.015 0.000 1.087 240 F CA 2.798 60.800 58.000 0.002 0.000 1.274 240 F CB 0.103 39.110 39.000 0.011 0.000 1.009 240 F HN -0.445 7.978 8.300 0.274 0.042 0.485 241 V N -1.970 117.967 119.914 0.037 0.000 2.427 241 V HA -0.455 3.580 4.120 -0.142 0.000 0.248 241 V C 1.745 177.809 176.094 -0.049 0.000 1.051 241 V CA 4.367 66.635 62.300 -0.055 0.000 1.048 241 V CB -1.109 30.721 31.823 0.010 0.000 0.666 241 V HN -0.571 7.680 8.190 0.131 0.017 0.456 242 D N -0.648 119.746 120.400 -0.010 0.000 2.144 242 D HA -0.282 4.360 4.640 0.003 0.000 0.199 242 D C 1.546 177.844 176.300 -0.003 0.000 0.984 242 D CA 3.253 57.254 54.000 0.000 0.000 0.834 242 D CB -0.563 40.244 40.800 0.012 0.000 0.955 242 D HN -0.792 7.498 8.370 0.012 0.087 0.465 243 I N -2.305 118.244 120.570 -0.035 0.000 2.226 243 I HA -0.504 3.653 4.170 -0.021 0.000 0.245 243 I C 1.749 177.912 176.117 0.076 0.000 1.100 243 I CA 3.673 64.953 61.300 -0.034 0.000 1.374 243 I CB 0.073 38.007 38.000 -0.109 0.000 1.057 243 I HN -0.815 7.371 8.210 -0.040 0.000 0.413 244 I N -1.687 118.843 120.570 -0.067 0.000 2.264 244 I HA -0.431 3.789 4.170 0.083 0.000 0.248 244 I C 1.278 177.485 176.117 0.150 0.000 1.111 244 I CA 3.689 64.993 61.300 0.006 0.000 1.382 244 I CB -0.226 37.656 38.000 -0.196 0.000 1.060 244 I HN -0.624 7.471 8.210 -0.191 0.000 0.418 245 N N -4.121 114.618 118.700 0.065 0.000 2.314 245 N HA 0.062 4.826 4.740 0.039 0.000 0.200 245 N C 0.872 176.400 175.510 0.031 0.000 1.135 245 N CA 0.696 53.770 53.050 0.041 0.000 0.835 245 N CB 0.770 39.265 38.487 0.012 0.000 0.989 245 N HN -0.569 7.712 8.380 0.026 0.114 0.478 246 S N 0.594 116.340 115.700 0.077 0.000 2.561 246 S HA -0.150 4.347 4.470 0.044 0.000 0.225 246 S C 0.292 174.873 174.600 -0.031 0.000 0.977 246 S CA 3.011 61.248 58.200 0.061 0.000 0.926 246 S CB 0.096 63.394 63.200 0.164 0.000 0.769 246 S HN -0.503 7.822 8.310 0.157 0.080 0.533 247 R N -1.679 118.717 120.500 -0.174 0.000 2.393 247 R HA 0.191 4.417 4.340 -0.189 0.000 0.244 247 R C -0.168 176.045 176.300 -0.145 0.000 0.920 247 R CA -1.272 54.674 56.100 -0.257 0.000 1.076 247 R CB -0.504 29.441 30.300 -0.592 0.000 1.119 247 R HN 0.132 8.236 8.270 -0.179 0.059 0.524 248 N N 0.000 118.650 118.700 -0.084 0.000 1.763 248 N HA 0.000 4.708 4.740 -0.054 0.000 0.220 248 N CA 0.000 53.020 53.050 -0.050 0.000 0.885 248 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 248 N HN 0.000 8.279 8.380 -0.070 0.059 0.667