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_B 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 4.344 4.320 0.041 0.000 0.244 2 A C 0.000 177.620 177.584 0.059 0.000 1.274 2 A CA 0.000 52.064 52.037 0.045 0.000 0.836 2 A CB 0.000 19.026 19.000 0.043 0.000 0.831 3 R N 1.991 122.532 120.500 0.068 0.000 2.248 3 R HA 0.037 4.426 4.340 0.082 0.000 0.328 3 R C -0.448 175.924 176.300 0.120 0.000 1.067 3 R CA -0.189 55.964 56.100 0.088 0.000 0.924 3 R CB 0.312 30.663 30.300 0.085 0.000 1.013 3 R HN 0.164 8.472 8.270 0.063 0.000 0.454 4 T N 5.939 120.571 114.554 0.130 0.000 2.853 4 T HA -0.033 4.412 4.350 0.158 0.000 0.298 4 T C -0.411 174.428 174.700 0.233 0.000 0.978 4 T CA 0.589 62.788 62.100 0.164 0.000 1.152 4 T CB 0.433 69.385 68.868 0.141 0.000 0.914 4 T HN 0.271 8.581 8.240 0.116 0.000 0.539 5 F N 10.129 130.124 119.950 0.076 0.000 2.608 5 F HA -0.105 4.650 4.527 0.079 -0.181 0.380 5 F C -2.207 173.668 175.800 0.124 0.000 1.083 5 F CA 0.629 58.678 58.000 0.081 0.000 1.266 5 F CB 0.631 39.661 39.000 0.050 0.000 1.076 5 F HN 0.675 9.183 8.300 0.347 0.000 0.574 6 F N 8.756 128.444 119.950 -0.436 0.000 2.493 6 F HA 0.814 5.381 4.527 -0.271 -0.203 0.329 6 F C -2.356 173.126 175.800 -0.530 0.000 1.126 6 F CA -2.469 55.309 58.000 -0.369 0.000 0.937 6 F CB 4.091 42.961 39.000 -0.216 0.000 1.146 6 F HN -0.012 8.131 8.300 -0.262 0.000 0.442 7 V N 7.272 126.863 119.914 -0.538 0.000 2.409 7 V HA 0.587 4.815 4.120 -0.119 -0.180 0.290 7 V C -1.238 174.703 176.094 -0.254 0.000 1.017 7 V CA -2.000 60.118 62.300 -0.304 0.000 0.841 7 V CB 2.059 33.660 31.823 -0.371 0.000 1.003 7 V HN 0.573 8.330 8.190 -0.722 0.000 0.426 8 G N 5.855 114.689 108.800 0.058 0.000 2.348 8 G HA2 0.500 4.630 3.960 -0.034 0.000 0.312 8 G HA3 0.500 4.573 3.960 0.189 0.000 0.312 8 G C -2.126 172.913 174.900 0.231 0.000 1.126 8 G CA -1.519 43.647 45.100 0.110 0.000 0.865 8 G HN 0.741 9.139 8.290 0.181 0.000 0.474 9 G N 0.872 109.758 108.800 0.144 0.000 2.588 9 G HA2 0.280 4.409 3.960 0.030 0.000 0.312 9 G HA3 0.280 4.095 3.960 -0.242 0.000 0.312 9 G C -2.683 172.157 174.900 -0.099 0.000 1.257 9 G CA -1.111 43.970 45.100 -0.031 0.000 0.994 9 G HN 0.519 8.852 8.290 0.072 0.000 0.498 10 N N 6.722 125.412 118.700 -0.016 0.000 2.469 10 N HA 0.279 4.942 4.740 -0.128 0.000 0.239 10 N C 0.076 175.633 175.510 0.079 0.000 1.053 10 N CA -2.840 50.185 53.050 -0.042 0.000 0.937 10 N CB 0.539 39.008 38.487 -0.030 0.000 1.163 10 N HN 0.173 8.568 8.380 0.024 0.000 0.509 11 F N 5.442 125.318 119.950 -0.124 0.000 2.451 11 F HA -0.030 4.411 4.527 -0.143 0.000 0.299 11 F C 0.965 176.709 175.800 -0.093 0.000 1.101 11 F CA -0.358 57.571 58.000 -0.119 0.000 1.436 11 F CB -0.593 38.349 39.000 -0.097 0.000 1.074 11 F HN -0.247 7.996 8.300 -0.096 0.000 0.553 12 K N -4.458 115.978 120.400 0.061 0.000 1.888 12 K HA -0.420 3.997 4.320 -0.068 -0.138 0.330 12 K C 0.021 176.642 176.600 0.034 0.000 1.719 12 K CA 0.821 57.100 56.287 -0.014 0.000 0.669 12 K CB -1.080 31.391 32.500 -0.048 0.000 0.941 12 K HN -0.581 7.862 8.250 0.021 -0.180 0.795 13 L N 3.984 125.216 121.223 0.015 0.000 2.423 13 L HA 0.084 4.454 4.340 0.050 0.000 0.249 13 L C -1.574 175.323 176.870 0.044 0.000 1.276 13 L CA 0.021 54.881 54.840 0.034 0.000 1.199 13 L CB -1.450 40.618 42.059 0.015 0.000 1.407 13 L HN -0.003 8.224 8.230 -0.004 0.000 0.410 14 N N 1.817 120.562 118.700 0.075 0.000 2.405 14 N HA 0.255 5.010 4.740 0.024 0.000 0.274 14 N C -2.229 173.311 175.510 0.050 0.000 1.170 14 N CA -0.595 52.475 53.050 0.034 0.000 0.848 14 N CB 3.849 42.321 38.487 -0.026 0.000 1.629 14 N HN -0.438 7.964 8.380 0.112 0.045 0.481 15 G N -1.047 107.743 108.800 -0.017 0.000 2.406 15 G HA2 -0.154 3.703 3.960 -0.173 0.000 0.680 15 G HA3 -0.154 3.738 3.960 -0.113 0.000 0.680 15 G C -2.353 172.476 174.900 -0.117 0.000 1.338 15 G CA -0.296 44.738 45.100 -0.109 0.000 0.941 15 G HN -0.030 8.247 8.290 -0.022 0.000 0.633 16 S N -2.169 113.352 115.700 -0.297 0.000 2.618 16 S HA 0.514 4.873 4.470 -0.184 0.000 0.277 16 S C 0.729 175.038 174.600 -0.485 0.000 1.138 16 S CA -1.717 56.314 58.200 -0.282 0.000 0.844 16 S CB 3.500 66.646 63.200 -0.089 0.000 1.127 16 S HN -0.313 7.808 8.310 -0.315 0.000 0.474 17 K N 2.430 122.640 120.400 -0.317 0.000 2.074 17 K HA -0.516 3.666 4.320 -0.229 0.000 0.209 17 K C 1.753 178.344 176.600 -0.014 0.000 1.048 17 K CA 4.943 61.117 56.287 -0.188 0.000 0.926 17 K CB -0.160 32.208 32.500 -0.221 0.000 0.713 17 K HN 0.637 8.799 8.250 -0.146 0.000 0.444 18 Q N -1.759 118.013 119.800 -0.047 0.000 2.046 18 Q HA -0.291 4.065 4.340 0.027 0.000 0.200 18 Q C 1.732 177.705 176.000 -0.044 0.000 0.975 18 Q CA 3.727 59.521 55.803 -0.015 0.000 0.836 18 Q CB -0.356 28.366 28.738 -0.026 0.000 0.896 18 Q HN 0.159 8.381 8.270 -0.070 0.007 0.428 19 S N -0.000 115.640 115.700 -0.099 0.000 2.436 19 S HA -0.187 4.220 4.470 -0.104 0.000 0.228 19 S C 2.249 176.752 174.600 -0.161 0.000 1.014 19 S CA 3.433 61.556 58.200 -0.129 0.000 0.950 19 S CB -0.072 63.037 63.200 -0.151 0.000 0.784 19 S HN -0.643 7.596 8.310 -0.119 0.000 0.504 20 I N 3.537 124.010 120.570 -0.162 0.000 2.353 20 I HA -0.429 3.645 4.170 -0.159 0.000 0.248 20 I C 1.169 177.261 176.117 -0.041 0.000 1.119 20 I CA 3.694 64.930 61.300 -0.107 0.000 1.417 20 I CB -0.383 37.569 38.000 -0.081 0.000 1.078 20 I HN 0.128 8.226 8.210 -0.188 0.000 0.421 21 K N 0.472 120.877 120.400 0.008 0.000 2.074 21 K HA -0.475 3.799 4.320 -0.077 0.000 0.209 21 K C 1.992 178.572 176.600 -0.032 0.000 1.048 21 K CA 4.070 60.348 56.287 -0.014 0.000 0.926 21 K CB -0.338 32.204 32.500 0.070 0.000 0.713 21 K HN -0.263 8.022 8.250 0.057 0.000 0.444 22 E N -1.904 118.273 120.200 -0.039 0.000 2.110 22 E HA -0.269 4.063 4.350 -0.029 0.000 0.193 22 E C 2.741 179.311 176.600 -0.050 0.000 0.988 22 E CA 2.832 59.206 56.400 -0.043 0.000 0.804 22 E CB -0.132 29.535 29.700 -0.054 0.000 0.745 22 E HN -0.653 7.682 8.360 -0.041 0.000 0.458 23 I N -0.039 120.483 120.570 -0.080 0.000 2.179 23 I HA -0.447 3.683 4.170 -0.068 0.000 0.242 23 I C 1.888 178.007 176.117 0.005 0.000 1.088 23 I CA 4.082 65.338 61.300 -0.073 0.000 1.357 23 I CB -0.064 37.820 38.000 -0.194 0.000 1.051 23 I HN -0.617 7.531 8.210 -0.103 0.000 0.409 24 V N -0.568 119.350 119.914 0.006 0.000 2.358 24 V HA -0.485 3.666 4.120 0.051 0.000 0.246 24 V C 2.171 178.266 176.094 0.001 0.000 1.047 24 V CA 3.863 66.172 62.300 0.015 0.000 1.035 24 V CB -1.236 30.572 31.823 -0.026 0.000 0.658 24 V HN -0.187 7.995 8.190 -0.014 0.000 0.452 25 E N -0.705 119.485 120.200 -0.015 0.000 2.110 25 E HA -0.419 3.924 4.350 -0.013 0.000 0.193 25 E C 2.337 178.939 176.600 0.003 0.000 0.988 25 E CA 3.333 59.727 56.400 -0.011 0.000 0.804 25 E CB -0.453 29.238 29.700 -0.015 0.000 0.745 25 E HN -0.069 8.276 8.360 -0.025 0.000 0.458 26 R N -0.142 120.363 120.500 0.009 0.000 2.081 26 R HA -0.283 4.065 4.340 0.013 0.000 0.235 26 R C 2.033 178.355 176.300 0.036 0.000 1.131 26 R CA 3.006 59.118 56.100 0.020 0.000 0.960 26 R CB -0.161 30.154 30.300 0.024 0.000 0.856 26 R HN -0.688 7.584 8.270 0.003 0.000 0.436 27 L N -2.463 118.793 121.223 0.055 0.000 2.046 27 L HA -0.361 4.017 4.340 0.063 0.000 0.208 27 L C 2.790 179.678 176.870 0.029 0.000 1.077 27 L CA 2.845 57.721 54.840 0.061 0.000 0.747 27 L CB -0.407 41.712 42.059 0.099 0.000 0.896 27 L HN -0.441 7.824 8.230 0.059 0.000 0.432 28 N N -1.278 117.433 118.700 0.019 0.000 2.149 28 N HA -0.214 4.530 4.740 0.006 0.000 0.188 28 N C 1.891 177.404 175.510 0.006 0.000 1.019 28 N CA 3.051 56.105 53.050 0.007 0.000 0.857 28 N CB -0.036 38.450 38.487 -0.002 0.000 0.997 28 N HN 0.041 8.432 8.380 0.019 0.000 0.426 29 T N -5.369 109.190 114.554 0.008 0.000 3.105 29 T HA 0.026 4.378 4.350 0.004 0.000 0.253 29 T C -0.783 173.921 174.700 0.007 0.000 1.047 29 T CA -1.288 60.816 62.100 0.006 0.000 0.944 29 T CB -0.163 68.708 68.868 0.004 0.000 1.016 29 T HN -0.605 7.615 8.240 0.010 0.026 0.544 30 A N 3.051 125.877 122.820 0.010 0.000 2.386 30 A HA 0.050 4.376 4.320 0.009 0.000 0.248 30 A C -0.365 177.221 177.584 0.004 0.000 1.082 30 A CA 0.390 52.432 52.037 0.008 0.000 0.789 30 A CB 1.004 20.010 19.000 0.011 0.000 1.025 30 A HN -0.707 7.276 8.150 0.012 0.175 0.490 31 S N 2.633 118.334 115.700 0.003 0.000 2.411 31 S HA 0.247 4.718 4.470 0.002 0.000 0.304 31 S C -0.408 174.192 174.600 0.000 0.000 1.098 31 S CA 0.160 58.361 58.200 0.002 0.000 1.068 31 S CB -0.894 62.307 63.200 0.002 0.000 1.032 31 S HN 0.301 8.613 8.310 0.003 0.000 0.511 32 I N 1.760 122.330 120.570 0.000 0.000 2.828 32 I HA 0.521 4.693 4.170 0.002 0.000 0.302 32 I C -2.411 173.711 176.117 0.008 0.000 1.101 32 I CA -3.697 57.604 61.300 0.001 0.000 1.031 32 I CB 0.760 38.755 38.000 -0.009 0.000 1.231 32 I HN -0.592 7.619 8.210 0.001 0.000 0.427 33 P HA 0.082 4.509 4.420 0.012 0.000 0.272 33 P C -0.749 176.565 177.300 0.022 0.000 1.230 33 P CA -0.865 62.246 63.100 0.018 0.000 0.788 33 P CB 0.769 32.484 31.700 0.025 0.000 0.949 34 E N -0.993 119.219 120.200 0.020 0.000 2.106 34 E HA -0.311 4.049 4.350 0.017 0.000 0.192 34 E C 0.834 177.452 176.600 0.031 0.000 0.984 34 E CA 2.341 58.753 56.400 0.020 0.000 0.806 34 E CB 0.023 29.733 29.700 0.017 0.000 0.750 34 E HN 0.204 8.574 8.360 0.017 0.000 0.458 35 N N -1.260 117.465 118.700 0.040 0.000 3.209 35 N HA 0.010 4.782 4.740 0.053 0.000 0.309 35 N C -2.195 173.371 175.510 0.093 0.000 1.384 35 N CA -0.517 52.568 53.050 0.058 0.000 1.173 35 N CB -1.389 37.130 38.487 0.053 0.000 1.460 35 N HN -0.048 8.354 8.380 0.037 0.000 0.534 36 V N -0.815 119.148 119.914 0.082 0.000 2.962 36 V HA 0.329 4.679 4.120 0.154 -0.138 0.313 36 V C -2.271 173.825 176.094 0.004 0.000 1.099 36 V CA -2.033 60.324 62.300 0.095 0.000 0.971 36 V CB 4.132 36.024 31.823 0.115 0.000 1.028 36 V HN -0.745 7.399 8.190 0.055 0.079 0.430 37 E N 3.590 123.747 120.200 -0.071 0.000 2.155 37 E HA 0.352 4.627 4.350 -0.126 0.000 0.264 37 E C -1.606 174.712 176.600 -0.470 0.000 0.886 37 E CA -1.605 54.680 56.400 -0.191 0.000 0.752 37 E CB 2.633 32.278 29.700 -0.093 0.000 1.133 37 E HN 0.214 8.538 8.360 -0.060 0.000 0.414 38 V N 7.626 127.322 119.914 -0.363 0.000 2.417 38 V HA 0.685 4.722 4.120 -0.490 -0.211 0.291 38 V C -1.838 174.061 176.094 -0.324 0.000 1.024 38 V CA -2.016 60.065 62.300 -0.364 0.000 0.861 38 V CB 1.620 33.336 31.823 -0.179 0.000 0.985 38 V HN 0.834 8.881 8.190 -0.239 0.000 0.436 39 V N 8.011 127.688 119.914 -0.396 0.000 2.376 39 V HA 0.558 4.797 4.120 -0.170 -0.220 0.287 39 V C -0.606 175.410 176.094 -0.130 0.000 1.015 39 V CA -1.689 60.454 62.300 -0.262 0.000 0.834 39 V CB 1.480 33.065 31.823 -0.396 0.000 1.001 39 V HN 0.305 8.215 8.190 -0.468 0.000 0.428 40 I N 1.681 122.183 120.570 -0.114 0.000 2.385 40 I HA 0.560 4.700 4.170 -0.260 -0.126 0.294 40 I C -1.289 174.580 176.117 -0.413 0.000 0.988 40 I CA -1.930 59.215 61.300 -0.258 0.000 1.265 40 I CB 1.236 39.134 38.000 -0.171 0.000 1.388 40 I HN 0.311 8.467 8.210 -0.090 0.000 0.480 41 C N 4.816 123.717 119.300 -0.665 0.000 2.647 41 C HA 0.874 5.384 4.460 -0.340 -0.253 0.273 41 C C -1.499 173.087 174.990 -0.674 0.000 1.088 41 C CA -2.769 55.957 59.018 -0.486 0.000 1.529 41 C CB -1.103 26.481 27.740 -0.260 0.000 1.810 41 C HN 0.744 8.467 8.230 -0.846 0.000 0.422 42 P HA 0.344 4.629 4.420 -0.226 0.000 0.278 42 P C -2.236 175.062 177.300 -0.004 0.000 1.266 42 P CA -1.755 61.205 63.100 -0.233 0.000 0.807 42 P CB 0.080 31.782 31.700 0.003 0.000 1.094 43 P HA -0.098 4.345 4.420 0.038 0.000 0.267 43 P C 0.536 177.863 177.300 0.044 0.000 1.201 43 P CA 0.387 63.545 63.100 0.098 0.000 0.775 43 P CB 0.281 32.090 31.700 0.181 0.000 0.854 44 A N 3.948 126.755 122.820 -0.023 0.000 1.948 44 A HA -0.295 4.013 4.320 -0.020 0.000 0.220 44 A C 2.278 179.814 177.584 -0.079 0.000 1.177 44 A CA 3.377 55.390 52.037 -0.040 0.000 0.636 44 A CB -0.888 18.084 19.000 -0.047 0.000 0.815 44 A HN 0.487 8.618 8.150 -0.031 0.000 0.449 45 T N -1.184 113.256 114.554 -0.190 0.000 2.849 45 T HA -0.237 3.955 4.350 -0.263 0.000 0.270 45 T C 0.673 175.122 174.700 -0.419 0.000 1.066 45 T CA 3.204 65.075 62.100 -0.381 0.000 1.130 45 T CB -0.238 68.255 68.868 -0.625 0.000 0.864 45 T HN 0.091 8.198 8.240 -0.178 0.027 0.481 46 Y N -3.493 116.841 120.300 0.058 0.000 2.531 46 Y HA 0.194 4.825 4.550 0.134 0.000 0.249 46 Y C 0.147 176.114 175.900 0.111 0.000 1.168 46 Y CA -1.086 57.084 58.100 0.118 0.000 1.226 46 Y CB 0.592 39.148 38.460 0.158 0.000 1.177 46 Y HN -0.423 7.659 8.280 -0.050 0.168 0.527 47 L N 1.267 122.579 121.223 0.148 0.000 1.994 47 L HA -0.468 3.920 4.340 0.080 0.000 0.208 47 L C 1.472 178.402 176.870 0.100 0.000 1.071 47 L CA 4.271 59.166 54.840 0.092 0.000 0.745 47 L CB -0.370 41.712 42.059 0.038 0.000 0.892 47 L HN -0.814 7.470 8.230 0.090 0.000 0.431 48 D N -2.862 117.600 120.400 0.105 0.000 2.104 48 D HA -0.335 4.347 4.640 0.070 0.000 0.194 48 D C 1.737 178.128 176.300 0.151 0.000 0.994 48 D CA 2.961 57.023 54.000 0.103 0.000 0.830 48 D CB -0.477 40.377 40.800 0.089 0.000 0.959 48 D HN 0.196 8.623 8.370 0.094 0.000 0.452 49 Y N 0.173 120.518 120.300 0.074 0.000 2.128 49 Y HA -0.316 4.272 4.550 0.065 0.000 0.284 49 Y C 2.188 178.130 175.900 0.071 0.000 1.154 49 Y CA 3.053 61.203 58.100 0.084 0.000 1.149 49 Y CB -0.299 38.243 38.460 0.137 0.000 0.976 49 Y HN 0.018 8.491 8.280 0.321 0.000 0.505 50 S N 0.283 116.009 115.700 0.044 0.000 2.359 50 S HA -0.399 3.974 4.470 -0.161 0.000 0.224 50 S C 1.801 176.360 174.600 -0.068 0.000 1.035 50 S CA 4.498 62.664 58.200 -0.057 0.000 1.018 50 S CB -0.304 62.917 63.200 0.035 0.000 0.876 50 S HN -0.394 8.031 8.310 0.192 0.000 0.448 51 V N 0.533 120.437 119.914 -0.016 0.000 2.332 51 V HA -0.476 3.634 4.120 -0.018 0.000 0.248 51 V C 2.085 178.159 176.094 -0.034 0.000 1.055 51 V CA 3.992 66.282 62.300 -0.016 0.000 1.038 51 V CB -0.319 31.508 31.823 0.006 0.000 0.651 51 V HN -0.404 7.795 8.190 0.015 0.000 0.450 52 S N -0.300 115.376 115.700 -0.041 0.000 2.423 52 S HA -0.195 4.264 4.470 -0.019 0.000 0.231 52 S C 1.281 175.826 174.600 -0.091 0.000 1.014 52 S CA 3.310 61.484 58.200 -0.042 0.000 0.965 52 S CB -0.105 63.095 63.200 0.000 0.000 0.785 52 S HN -0.380 7.899 8.310 -0.027 0.015 0.495 53 L N 0.059 121.180 121.223 -0.170 0.000 2.375 53 L HA 0.031 4.278 4.340 -0.155 0.000 0.215 53 L C -0.392 176.421 176.870 -0.096 0.000 1.108 53 L CA 0.488 55.221 54.840 -0.177 0.000 0.830 53 L CB 0.586 42.463 42.059 -0.303 0.000 0.959 53 L HN -0.849 7.121 8.230 -0.198 0.141 0.457 54 V N -1.783 118.089 119.914 -0.069 0.000 2.599 54 V HA -0.337 3.885 4.120 -0.032 -0.121 0.300 54 V C -0.408 175.671 176.094 -0.025 0.000 1.034 54 V CA 1.217 63.496 62.300 -0.035 0.000 1.115 54 V CB -0.547 31.263 31.823 -0.022 0.000 0.934 54 V HN -0.817 7.329 8.190 -0.074 0.000 0.485 55 K N 7.852 128.242 120.400 -0.017 0.000 3.207 55 K HA 0.215 4.529 4.320 -0.010 0.000 0.166 55 K C -1.738 174.859 176.600 -0.005 0.000 1.079 55 K CA -1.076 55.205 56.287 -0.011 0.000 0.818 55 K CB 0.667 33.160 32.500 -0.012 0.000 0.967 55 K HN 0.309 8.873 8.250 -0.015 -0.323 0.594 56 K N 0.563 120.961 120.400 -0.003 0.000 2.635 56 K HA 0.437 4.757 4.320 -0.000 0.000 0.266 56 K C -1.710 174.890 176.600 -0.001 0.000 1.033 56 K CA -2.155 54.132 56.287 -0.001 0.000 0.919 56 K CB 1.344 33.845 32.500 0.001 0.000 1.289 56 K HN -0.363 7.885 8.250 -0.004 0.000 0.463 57 P HA -0.030 4.392 4.420 0.004 0.000 0.218 57 P C -0.184 177.117 177.300 0.002 0.000 1.148 57 P CA 1.540 64.642 63.100 0.003 0.000 0.822 57 P CB 0.326 32.029 31.700 0.006 0.000 0.784 58 Q N -4.989 114.809 119.800 -0.004 0.000 2.364 58 Q HA -0.164 4.170 4.340 -0.011 0.000 0.207 58 Q C -0.579 175.400 176.000 -0.035 0.000 0.970 58 Q CA 1.552 57.345 55.803 -0.017 0.000 0.888 58 Q CB 0.341 29.067 28.738 -0.020 0.000 0.951 58 Q HN 0.347 8.585 8.270 -0.003 0.030 0.469 59 V N -1.757 118.144 119.914 -0.021 0.000 2.417 59 V HA 0.616 4.937 4.120 -0.047 -0.230 0.291 59 V C -0.355 175.734 176.094 -0.008 0.000 1.024 59 V CA -1.293 60.993 62.300 -0.022 0.000 0.861 59 V CB 1.473 33.296 31.823 0.001 0.000 0.985 59 V HN -0.602 7.511 8.190 -0.011 0.071 0.436 60 T N 2.105 116.654 114.554 -0.009 0.000 2.864 60 T HA 0.332 4.693 4.350 0.018 0.000 0.289 60 T C -2.047 172.662 174.700 0.015 0.000 1.082 60 T CA -3.199 58.916 62.100 0.025 0.000 1.009 60 T CB 2.891 71.809 68.868 0.084 0.000 1.234 60 T HN 0.618 8.836 8.240 -0.036 0.000 0.526 61 V N -0.250 119.684 119.914 0.033 0.000 2.628 61 V HA 0.779 5.067 4.120 -0.042 -0.193 0.306 61 V C -0.615 175.508 176.094 0.049 0.000 1.045 61 V CA -1.975 60.325 62.300 0.000 0.000 0.905 61 V CB 2.910 34.724 31.823 -0.015 0.000 0.997 61 V HN 0.516 8.734 8.190 0.047 0.000 0.436 62 G N 2.895 111.697 108.800 0.003 0.000 2.533 62 G HA2 0.767 4.924 3.960 0.095 0.000 0.304 62 G HA3 0.767 4.771 3.960 0.072 0.000 0.304 62 G C -2.759 172.126 174.900 -0.025 0.000 1.263 62 G CA -1.691 43.436 45.100 0.044 0.000 0.964 62 G HN 0.486 8.737 8.290 -0.066 0.000 0.479 63 A N -0.632 122.187 122.820 -0.002 0.000 2.264 63 A HA 0.541 4.835 4.320 -0.044 0.000 0.304 63 A C -0.092 177.469 177.584 -0.037 0.000 1.100 63 A CA -2.170 49.850 52.037 -0.027 0.000 0.839 63 A CB 2.580 21.573 19.000 -0.013 0.000 1.121 63 A HN 0.181 8.348 8.150 0.028 0.000 0.496 64 Q N -0.628 119.139 119.800 -0.055 0.000 2.408 64 Q HA -0.136 4.164 4.340 -0.067 0.000 0.205 64 Q C -1.194 174.773 176.000 -0.056 0.000 0.919 64 Q CA 1.694 57.457 55.803 -0.067 0.000 0.932 64 Q CB 0.875 29.560 28.738 -0.089 0.000 1.058 64 Q HN 0.726 8.964 8.270 -0.054 0.000 0.517 65 N N -5.476 113.193 118.700 -0.051 0.000 3.521 65 N HA 0.218 5.079 4.740 -0.054 -0.154 0.228 65 N C -2.029 173.454 175.510 -0.044 0.000 1.328 65 N CA 0.040 53.056 53.050 -0.056 0.000 0.907 65 N CB 1.896 40.336 38.487 -0.078 0.000 1.487 65 N HN -0.799 7.554 8.380 -0.046 0.000 0.503 66 A N -0.099 122.690 122.820 -0.050 0.000 2.599 66 A HA 0.164 4.574 4.320 0.006 -0.087 0.290 66 A C -2.890 174.676 177.584 -0.029 0.000 1.101 66 A CA -0.566 51.462 52.037 -0.014 0.000 0.674 66 A CB 2.554 21.560 19.000 0.011 0.000 1.277 66 A HN -0.057 8.047 8.150 -0.077 0.000 0.419 67 Y N -0.222 119.988 120.300 -0.149 0.000 2.282 67 Y HA -0.108 4.266 4.550 -0.295 0.000 0.335 67 Y C -0.060 175.671 175.900 -0.283 0.000 1.335 67 Y CA 0.508 58.462 58.100 -0.244 0.000 1.529 67 Y CB 2.066 40.381 38.460 -0.242 0.000 1.429 67 Y HN -0.002 8.354 8.280 0.127 0.000 0.563 68 L N -5.458 115.023 121.223 -1.237 0.000 2.611 68 L HA 0.198 4.168 4.340 -0.616 0.000 0.229 68 L C -1.212 174.849 176.870 -1.348 0.000 1.137 68 L CA 0.218 54.465 54.840 -0.988 0.000 0.901 68 L CB -0.730 40.852 42.059 -0.794 0.000 1.098 68 L HN 0.124 7.002 8.230 -2.253 0.000 0.456 69 K N -1.204 118.504 120.400 -1.154 0.000 2.385 69 K HA 0.112 3.481 4.320 -1.584 0.000 0.248 69 K C -0.260 176.126 176.600 -0.356 0.000 0.955 69 K CA -1.728 53.990 56.287 -0.949 0.000 0.816 69 K CB 2.262 34.552 32.500 -0.350 0.000 1.250 69 K HN -0.724 6.897 8.250 -0.937 0.067 0.434 70 A N 0.387 123.191 122.820 -0.026 0.000 2.081 70 A HA -0.017 4.488 4.320 0.309 0.000 0.214 70 A C -0.652 177.045 177.584 0.189 0.000 1.158 70 A CA 1.149 53.345 52.037 0.265 0.000 0.724 70 A CB 0.598 19.823 19.000 0.375 0.000 0.826 70 A HN 0.257 8.370 8.150 -0.063 0.000 0.463 71 S N -3.530 112.284 115.700 0.191 0.000 2.596 71 S HA 0.061 4.644 4.470 0.188 0.000 0.270 71 S C -0.764 174.009 174.600 0.288 0.000 1.155 71 S CA -0.596 57.721 58.200 0.195 0.000 0.827 71 S CB 1.490 64.766 63.200 0.128 0.000 1.130 71 S HN -0.764 7.652 8.310 0.177 0.000 0.467 72 G N 0.426 109.340 108.800 0.190 0.000 2.293 72 G HA2 -0.186 3.750 3.960 -0.040 0.000 0.282 72 G HA3 -0.186 3.820 3.960 0.077 0.000 0.282 72 G C -1.995 172.712 174.900 -0.320 0.000 1.299 72 G CA 0.113 45.213 45.100 -0.001 0.000 1.018 72 G HN -0.156 8.215 8.290 0.136 0.000 0.478 73 A N 1.372 123.680 122.820 -0.854 0.000 3.078 73 A HA 0.197 4.261 4.320 -0.425 0.000 0.279 73 A C -1.298 175.671 177.584 -1.026 0.000 1.594 73 A CA -0.109 51.491 52.037 -0.728 0.000 1.301 73 A CB -1.511 17.196 19.000 -0.489 0.000 1.162 73 A HN 0.009 7.577 8.150 -0.971 0.000 0.585 74 F N 2.081 121.956 119.950 -0.124 0.000 2.584 74 F HA 0.191 4.579 4.527 -0.231 0.000 0.328 74 F C -0.674 175.021 175.800 -0.175 0.000 1.407 74 F CA -2.253 55.607 58.000 -0.232 0.000 1.145 74 F CB 0.233 38.956 39.000 -0.462 0.000 1.440 74 F HN -0.576 7.494 8.300 -0.301 0.049 0.580 75 T N 4.859 119.386 114.554 -0.045 0.000 2.849 75 T HA -0.289 4.041 4.350 -0.033 0.000 0.289 75 T C 1.415 176.101 174.700 -0.024 0.000 1.010 75 T CA 2.901 64.980 62.100 -0.035 0.000 1.161 75 T CB 0.357 69.200 68.868 -0.043 0.000 0.989 75 T HN -0.024 8.164 8.240 -0.087 0.000 0.523 76 G N 6.169 114.955 108.800 -0.023 0.000 2.199 76 G HA2 -0.325 3.617 3.960 -0.029 0.000 0.254 76 G HA3 -0.325 3.617 3.960 -0.029 0.000 0.254 76 G C -0.535 174.342 174.900 -0.037 0.000 0.982 76 G CA -0.315 44.767 45.100 -0.029 0.000 0.632 76 G HN 0.393 8.671 8.290 -0.021 0.000 0.529 77 E N 1.039 121.218 120.200 -0.035 0.000 2.345 77 E HA 0.128 4.452 4.350 -0.043 0.000 0.259 77 E C -0.698 175.901 176.600 -0.002 0.000 1.117 77 E CA -0.612 55.767 56.400 -0.034 0.000 0.913 77 E CB 0.878 30.526 29.700 -0.088 0.000 1.057 77 E HN -0.350 7.932 8.360 -0.026 0.063 0.432 78 N N 0.564 119.269 118.700 0.009 0.000 2.492 78 N HA 0.111 4.863 4.740 0.019 0.000 0.289 78 N C -1.206 174.341 175.510 0.063 0.000 1.133 78 N CA -0.542 52.522 53.050 0.022 0.000 0.961 78 N CB 1.884 40.371 38.487 0.001 0.000 1.186 78 N HN 0.038 8.420 8.380 0.003 0.000 0.493 79 S N 0.771 116.512 115.700 0.068 0.000 2.473 79 S HA 0.306 4.854 4.470 0.130 0.000 0.307 79 S C 0.824 175.477 174.600 0.089 0.000 1.094 79 S CA -2.291 55.971 58.200 0.104 0.000 1.070 79 S CB 1.913 65.180 63.200 0.112 0.000 1.019 79 S HN 0.213 8.554 8.310 0.052 0.000 0.480 80 V N 4.546 124.531 119.914 0.118 0.000 2.490 80 V HA -0.258 3.883 4.120 0.035 0.000 0.250 80 V C 1.036 177.151 176.094 0.034 0.000 1.061 80 V CA 3.154 65.492 62.300 0.062 0.000 1.064 80 V CB -0.335 31.513 31.823 0.041 0.000 0.670 80 V HN 0.754 9.047 8.190 0.171 0.000 0.461 81 D N -0.608 119.832 120.400 0.067 0.000 2.144 81 D HA -0.229 4.414 4.640 0.006 0.000 0.199 81 D C 2.348 178.665 176.300 0.029 0.000 0.984 81 D CA 3.498 57.520 54.000 0.038 0.000 0.834 81 D CB -0.617 40.222 40.800 0.065 0.000 0.955 81 D HN -0.409 8.018 8.370 0.121 0.015 0.465 82 Q N -0.327 119.498 119.800 0.040 0.000 2.083 82 Q HA -0.218 4.137 4.340 0.025 0.000 0.198 82 Q C 2.540 178.551 176.000 0.018 0.000 0.969 82 Q CA 2.657 58.477 55.803 0.029 0.000 0.838 82 Q CB 0.286 29.044 28.738 0.034 0.000 0.900 82 Q HN -0.798 7.506 8.270 0.056 0.000 0.436 83 I N 0.511 121.091 120.570 0.016 0.000 2.151 83 I HA -0.604 3.571 4.170 0.009 0.000 0.243 83 I C 1.472 177.588 176.117 -0.001 0.000 1.080 83 I CA 4.321 65.626 61.300 0.007 0.000 1.339 83 I CB -0.282 37.722 38.000 0.006 0.000 1.039 83 I HN -0.025 8.199 8.210 0.023 0.000 0.409 84 K N -0.455 119.939 120.400 -0.010 0.000 2.057 84 K HA -0.287 4.185 4.320 -0.029 -0.169 0.206 84 K C 2.807 179.399 176.600 -0.012 0.000 1.050 84 K CA 3.053 59.327 56.287 -0.023 0.000 0.935 84 K CB -0.306 32.171 32.500 -0.039 0.000 0.715 84 K HN -0.404 7.841 8.250 -0.007 0.000 0.439 85 D N 0.207 120.606 120.400 -0.002 0.000 2.149 85 D HA -0.234 4.406 4.640 -0.000 0.000 0.198 85 D C 1.635 177.939 176.300 0.006 0.000 0.990 85 D CA 2.865 56.867 54.000 0.003 0.000 0.839 85 D CB -0.007 40.799 40.800 0.010 0.000 0.948 85 D HN -0.400 7.893 8.370 0.001 0.078 0.460 86 V N -7.608 112.312 119.914 0.010 0.000 3.646 86 V HA 0.271 4.402 4.120 0.018 0.000 0.277 86 V C 0.360 176.462 176.094 0.013 0.000 1.274 86 V CA -0.901 61.408 62.300 0.016 0.000 1.164 86 V CB -0.428 31.410 31.823 0.024 0.000 0.926 86 V HN -0.699 7.476 8.190 0.009 0.020 0.442 87 G N -0.539 108.263 108.800 0.004 0.000 2.176 87 G HA2 -0.368 3.588 3.960 -0.006 0.000 0.232 87 G HA3 -0.368 3.594 3.960 0.003 0.000 0.232 87 G C -1.122 173.777 174.900 -0.001 0.000 0.986 87 G CA 0.022 45.122 45.100 -0.000 0.000 0.643 87 G HN -0.393 7.715 8.290 -0.000 0.182 0.522 88 A N -0.794 122.026 122.820 0.001 0.000 2.332 88 A HA 0.027 4.422 4.320 0.016 -0.066 0.258 88 A C -0.725 176.852 177.584 -0.012 0.000 1.087 88 A CA -0.206 51.835 52.037 0.007 0.000 0.802 88 A CB 1.370 20.377 19.000 0.011 0.000 1.042 88 A HN -0.703 7.448 8.150 0.001 0.000 0.489 89 K N -2.548 117.854 120.400 0.003 0.000 2.450 89 K HA 0.394 4.632 4.320 -0.137 0.000 0.206 89 K C -0.761 175.687 176.600 -0.254 0.000 1.148 89 K CA -0.685 55.538 56.287 -0.107 0.000 1.014 89 K CB 2.205 34.653 32.500 -0.086 0.000 0.966 89 K HN 0.277 8.562 8.250 0.057 0.000 0.566 90 Y N -2.711 117.582 120.300 -0.012 0.000 2.609 90 Y HA 0.519 5.251 4.550 -0.018 -0.192 0.342 90 Y C -1.788 174.096 175.900 -0.027 0.000 1.058 90 Y CA -0.870 57.224 58.100 -0.010 0.000 1.055 90 Y CB 4.784 43.264 38.460 0.032 0.000 1.292 90 Y HN -0.782 7.586 8.280 0.147 0.000 0.476 91 V N -0.697 119.310 119.914 0.155 0.000 2.760 91 V HA 0.560 4.893 4.120 0.056 -0.180 0.309 91 V C -1.694 174.432 176.094 0.054 0.000 1.077 91 V CA -2.820 59.519 62.300 0.065 0.000 0.910 91 V CB 3.851 35.681 31.823 0.013 0.000 1.008 91 V HN 0.311 8.607 8.190 0.177 0.000 0.424 92 I N 7.882 128.466 120.570 0.023 0.000 2.471 92 I HA 0.041 4.401 4.170 0.015 -0.181 0.286 92 I C -1.322 174.794 176.117 -0.001 0.000 1.079 92 I CA 0.485 61.793 61.300 0.013 0.000 1.398 92 I CB -0.140 37.870 38.000 0.016 0.000 1.403 92 I HN 0.302 8.520 8.210 0.014 0.000 0.530 93 L N 4.829 126.046 121.223 -0.010 0.000 2.386 93 L HA 0.387 4.708 4.340 -0.033 0.000 0.271 93 L C 0.268 177.133 176.870 -0.008 0.000 0.993 93 L CA -1.458 53.364 54.840 -0.030 0.000 0.819 93 L CB 3.059 45.076 42.059 -0.070 0.000 1.294 93 L HN 0.263 8.486 8.230 -0.012 0.000 0.414 94 G N -0.063 108.743 108.800 0.010 0.000 2.143 94 G HA2 -0.490 3.494 3.960 0.040 0.000 0.249 94 G HA3 -0.490 3.476 3.960 0.009 0.000 0.249 94 G C -0.773 174.151 174.900 0.041 0.000 0.981 94 G CA 0.124 45.240 45.100 0.027 0.000 0.665 94 G HN 0.568 8.859 8.290 0.001 0.000 0.528 95 H N -0.230 118.842 119.070 0.003 0.000 3.038 95 H HA -0.199 4.352 4.556 -0.009 0.000 0.338 95 H C 0.611 175.961 175.328 0.038 0.000 1.041 95 H CA 1.167 57.220 56.048 0.008 0.000 1.394 95 H CB 1.027 30.794 29.762 0.009 0.000 1.357 95 H HN -0.521 7.813 8.280 0.167 0.046 0.600 96 S N 6.164 121.640 115.700 -0.375 0.000 2.387 96 S HA -0.421 4.021 4.470 -0.046 0.000 0.230 96 S C 1.688 176.376 174.600 0.147 0.000 1.035 96 S CA 3.694 61.837 58.200 -0.095 0.000 1.014 96 S CB 0.174 63.265 63.200 -0.181 0.000 0.836 96 S HN 0.823 8.604 8.310 -0.881 0.000 0.466 97 E N -0.295 120.135 120.200 0.383 0.000 2.204 97 E HA -0.419 4.086 4.350 0.257 0.000 0.195 97 E C 1.720 178.564 176.600 0.406 0.000 0.990 97 E CA 3.143 59.753 56.400 0.350 0.000 0.821 97 E CB -0.329 29.553 29.700 0.304 0.000 0.750 97 E HN -0.493 8.263 8.360 0.693 0.019 0.477 98 R N -1.752 118.973 120.500 0.374 0.000 2.080 98 R HA -0.141 4.524 4.340 0.542 0.000 0.222 98 R C 2.579 179.047 176.300 0.279 0.000 1.107 98 R CA 2.579 58.896 56.100 0.362 0.000 0.980 98 R CB -0.100 30.331 30.300 0.218 0.000 0.879 98 R HN -0.444 7.937 8.270 0.365 0.108 0.439 99 R N -1.113 119.505 120.500 0.197 0.000 2.096 99 R HA -0.217 4.418 4.340 0.168 -0.194 0.235 99 R C 2.457 178.844 176.300 0.146 0.000 1.127 99 R CA 3.251 59.443 56.100 0.154 0.000 0.968 99 R CB 0.046 30.406 30.300 0.101 0.000 0.861 99 R HN -0.170 8.209 8.270 0.182 0.000 0.440 100 S N -0.656 115.131 115.700 0.145 0.000 2.338 100 S HA -0.135 4.393 4.470 0.098 0.000 0.197 100 S C 1.748 176.413 174.600 0.108 0.000 0.990 100 S CA 3.038 61.309 58.200 0.117 0.000 0.920 100 S CB -0.061 63.203 63.200 0.105 0.000 0.903 100 S HN -0.115 8.267 8.310 0.162 0.025 0.542 101 Y N 2.090 122.365 120.300 -0.042 0.000 2.165 101 Y HA -0.270 4.174 4.550 -0.176 0.000 0.286 101 Y C 0.732 176.398 175.900 -0.390 0.000 1.155 101 Y CA 2.954 60.913 58.100 -0.237 0.000 1.164 101 Y CB 0.267 38.503 38.460 -0.374 0.000 0.978 101 Y HN -0.439 7.981 8.280 0.232 0.000 0.513 102 F N -5.168 114.830 119.950 0.079 0.000 2.660 102 F HA 0.074 4.404 4.527 -0.329 0.000 0.302 102 F C -1.585 173.888 175.800 -0.546 0.000 1.103 102 F CA 0.539 58.412 58.000 -0.211 0.000 1.340 102 F CB -0.473 38.503 39.000 -0.040 0.000 1.048 102 F HN -0.745 7.683 8.300 0.215 0.000 0.551 103 H N -5.531 113.624 119.070 0.141 0.000 2.655 103 H HA -0.477 4.264 4.556 0.073 -0.141 0.313 103 H C -0.426 174.983 175.328 0.135 0.000 1.141 103 H CA 0.179 56.281 56.048 0.090 0.000 1.138 103 H CB -3.390 26.380 29.762 0.014 0.000 1.446 103 H HN -0.547 7.590 8.280 0.065 0.182 0.415 104 E N -0.013 120.309 120.200 0.205 0.000 2.070 104 E HA -0.013 4.553 4.350 0.360 0.000 0.282 104 E C -0.044 176.709 176.600 0.255 0.000 1.104 104 E CA -0.514 56.078 56.400 0.320 0.000 0.876 104 E CB 0.528 30.451 29.700 0.372 0.000 1.055 104 E HN -0.624 7.828 8.360 0.193 0.024 0.401 105 D N 5.702 126.239 120.400 0.229 0.000 2.371 105 D HA -0.148 4.573 4.640 0.136 0.000 0.242 105 D C 0.465 176.868 176.300 0.172 0.000 1.218 105 D CA -0.434 53.663 54.000 0.162 0.000 0.945 105 D CB 0.857 41.721 40.800 0.105 0.000 1.137 105 D HN 0.034 8.535 8.370 0.219 0.000 0.464 106 D N -0.799 119.672 120.400 0.118 0.000 2.144 106 D HA -0.328 4.370 4.640 0.096 0.000 0.199 106 D C 1.958 178.322 176.300 0.106 0.000 0.984 106 D CA 3.326 57.386 54.000 0.100 0.000 0.834 106 D CB -0.280 40.566 40.800 0.077 0.000 0.955 106 D HN 0.348 8.778 8.370 0.100 0.000 0.465 107 K N 0.336 120.804 120.400 0.114 0.000 2.057 107 K HA -0.200 4.173 4.320 0.089 0.000 0.206 107 K C 1.394 178.092 176.600 0.163 0.000 1.050 107 K CA 2.138 58.491 56.287 0.111 0.000 0.935 107 K CB -0.696 31.857 32.500 0.088 0.000 0.715 107 K HN -0.548 7.845 8.250 0.108 -0.078 0.439 108 F N 1.039 120.992 119.950 0.005 0.000 2.095 108 F HA -0.282 4.219 4.527 -0.043 0.000 0.298 108 F C 1.651 177.437 175.800 -0.024 0.000 1.104 108 F CA 2.422 60.412 58.000 -0.017 0.000 1.232 108 F CB -0.063 38.944 39.000 0.011 0.000 0.987 108 F HN -0.396 8.396 8.300 0.299 -0.312 0.475 109 I N -1.670 118.939 120.570 0.064 0.000 2.226 109 I HA -0.518 3.563 4.170 -0.148 0.000 0.245 109 I C 2.194 178.286 176.117 -0.041 0.000 1.100 109 I CA 1.840 63.112 61.300 -0.047 0.000 1.374 109 I CB -1.954 36.053 38.000 0.011 0.000 1.057 109 I HN -0.392 7.916 8.210 0.163 0.000 0.413 110 A N 0.216 123.046 122.820 0.016 0.000 1.883 110 A HA -0.411 3.922 4.320 0.022 0.000 0.217 110 A C 1.960 179.544 177.584 0.001 0.000 1.186 110 A CA 3.610 55.661 52.037 0.023 0.000 0.624 110 A CB -0.874 18.158 19.000 0.054 0.000 0.822 110 A HN -0.182 7.996 8.150 0.047 0.000 0.444 111 D N -1.685 118.710 120.400 -0.007 0.000 2.117 111 D HA -0.244 4.396 4.640 0.000 0.000 0.198 111 D C 2.741 178.998 176.300 -0.071 0.000 0.982 111 D CA 3.263 57.247 54.000 -0.027 0.000 0.828 111 D CB -0.394 40.392 40.800 -0.024 0.000 0.967 111 D HN -0.241 8.137 8.370 0.012 0.000 0.464 112 K N -0.393 119.909 120.400 -0.165 0.000 2.097 112 K HA -0.294 3.920 4.320 -0.178 0.000 0.206 112 K C 2.400 178.961 176.600 -0.065 0.000 1.049 112 K CA 3.541 59.720 56.287 -0.181 0.000 0.933 112 K CB -0.061 32.248 32.500 -0.317 0.000 0.717 112 K HN -0.310 7.824 8.250 -0.193 0.000 0.442 113 T N 1.540 116.050 114.554 -0.072 0.000 2.737 113 T HA -0.309 3.989 4.350 -0.088 0.000 0.265 113 T C 1.364 176.031 174.700 -0.055 0.000 1.038 113 T CA 4.642 66.696 62.100 -0.076 0.000 1.144 113 T CB -0.335 68.477 68.868 -0.093 0.000 0.866 113 T HN -0.300 7.874 8.240 -0.078 0.019 0.434 114 K N 1.954 122.344 120.400 -0.016 0.000 2.032 114 K HA -0.420 3.889 4.320 -0.018 0.000 0.209 114 K C 1.785 178.384 176.600 -0.002 0.000 1.048 114 K CA 3.688 59.975 56.287 0.001 0.000 0.927 114 K CB -0.257 32.262 32.500 0.031 0.000 0.712 114 K HN -0.419 7.825 8.250 -0.009 0.000 0.441 115 F N -0.713 119.178 119.950 -0.099 0.000 2.102 115 F HA -0.383 4.094 4.527 -0.083 0.000 0.298 115 F C 1.114 176.858 175.800 -0.094 0.000 1.105 115 F CA 3.236 61.175 58.000 -0.101 0.000 1.239 115 F CB -0.003 38.912 39.000 -0.142 0.000 0.991 115 F HN -0.581 7.807 8.300 0.147 0.000 0.474 116 A N -0.447 122.311 122.820 -0.104 0.000 1.883 116 A HA -0.434 3.767 4.320 -0.198 0.000 0.217 116 A C 1.988 179.438 177.584 -0.222 0.000 1.186 116 A CA 3.253 55.191 52.037 -0.166 0.000 0.624 116 A CB -0.547 18.405 19.000 -0.080 0.000 0.822 116 A HN -0.087 8.072 8.150 0.016 0.000 0.444 117 L N -2.657 118.461 121.223 -0.176 0.000 2.083 117 L HA -0.206 4.186 4.340 -0.162 -0.149 0.209 117 L C 3.571 180.330 176.870 -0.185 0.000 1.083 117 L CA 2.196 56.938 54.840 -0.162 0.000 0.752 117 L CB -0.339 41.647 42.059 -0.123 0.000 0.899 117 L HN -0.339 7.804 8.230 -0.145 0.000 0.433 118 G N -2.556 106.107 108.800 -0.228 0.000 2.509 118 G HA2 -0.230 3.630 3.960 -0.167 0.000 0.218 118 G HA3 -0.230 3.584 3.960 -0.243 0.000 0.218 118 G C 0.421 175.144 174.900 -0.296 0.000 1.124 118 G CA 1.527 46.486 45.100 -0.235 0.000 0.776 118 G HN -0.152 7.998 8.290 -0.234 0.000 0.547 119 Q N -0.841 118.721 119.800 -0.397 0.000 2.320 119 Q HA 0.110 4.274 4.340 -0.292 0.000 0.201 119 Q C 0.412 176.287 176.000 -0.209 0.000 0.910 119 Q CA -1.515 54.089 55.803 -0.332 0.000 0.946 119 Q CB -0.275 28.206 28.738 -0.429 0.000 1.062 119 Q HN -0.741 7.122 8.270 -0.451 0.136 0.503 120 G N -1.622 107.067 108.800 -0.186 0.000 2.160 120 G HA2 -0.385 3.490 3.960 -0.142 0.000 0.244 120 G HA3 -0.385 3.496 3.960 -0.131 0.000 0.244 120 G C -1.055 173.747 174.900 -0.164 0.000 1.022 120 G CA 0.313 45.323 45.100 -0.150 0.000 0.741 120 G HN -0.425 7.566 8.290 -0.199 0.179 0.508 121 V N 0.851 120.657 119.914 -0.179 0.000 2.417 121 V HA 0.049 4.044 4.120 -0.209 0.000 0.291 121 V C -0.460 175.501 176.094 -0.222 0.000 1.024 121 V CA -1.354 60.833 62.300 -0.189 0.000 0.861 121 V CB 1.655 33.397 31.823 -0.135 0.000 0.985 121 V HN -0.721 7.358 8.190 -0.186 0.000 0.436 122 G N 5.970 114.547 108.800 -0.372 0.000 2.594 122 G HA2 0.199 4.219 3.960 -0.257 0.000 0.243 122 G HA3 0.199 3.726 3.960 -0.720 0.000 0.243 122 G C -1.903 172.965 174.900 -0.055 0.000 1.229 122 G CA -0.171 44.709 45.100 -0.365 0.000 0.843 122 G HN 0.195 8.196 8.290 -0.481 0.000 0.578 123 V N 0.736 120.679 119.914 0.048 0.000 2.531 123 V HA 0.553 4.910 4.120 0.075 -0.192 0.301 123 V C -1.136 174.983 176.094 0.041 0.000 1.034 123 V CA -1.838 60.485 62.300 0.038 0.000 0.865 123 V CB 2.901 34.666 31.823 -0.097 0.000 0.995 123 V HN -0.185 8.011 8.190 0.011 0.000 0.424 124 I N 7.310 127.897 120.570 0.028 0.000 2.282 124 I HA 0.200 4.466 4.170 -0.153 -0.188 0.290 124 I C -1.432 174.640 176.117 -0.075 0.000 1.090 124 I CA -0.797 60.455 61.300 -0.081 0.000 1.231 124 I CB 0.157 38.111 38.000 -0.077 0.000 1.434 124 I HN 0.261 8.515 8.210 0.072 0.000 0.487 125 L N 9.351 130.505 121.223 -0.114 0.000 2.261 125 L HA 0.521 4.969 4.340 -0.076 -0.153 0.289 125 L C -1.816 175.015 176.870 -0.064 0.000 1.059 125 L CA -1.244 53.539 54.840 -0.095 0.000 0.816 125 L CB 1.478 43.451 42.059 -0.142 0.000 1.191 125 L HN 0.427 8.568 8.230 -0.148 0.000 0.431 126 C N 8.115 127.387 119.300 -0.046 0.000 2.350 126 C HA 0.825 5.443 4.460 -0.070 -0.199 0.348 126 C C -0.475 174.490 174.990 -0.042 0.000 1.260 126 C CA -1.236 57.744 59.018 -0.062 0.000 1.966 126 C CB -0.396 27.286 27.740 -0.097 0.000 2.380 126 C HN 0.293 8.501 8.230 -0.036 0.000 0.535 127 I N -3.043 117.508 120.570 -0.032 0.000 2.969 127 I HA 0.416 4.660 4.170 0.006 -0.071 0.307 127 I C -2.193 173.928 176.117 0.007 0.000 1.149 127 I CA -2.248 59.063 61.300 0.017 0.000 1.008 127 I CB 3.690 41.737 38.000 0.077 0.000 1.232 127 I HN 0.495 8.678 8.210 -0.045 0.000 0.435 128 G N -0.208 108.615 108.800 0.038 0.000 2.358 128 G HA2 -0.040 4.023 3.960 0.172 0.000 0.301 128 G HA3 -0.040 4.060 3.960 -0.129 -0.218 0.301 128 G C -2.186 172.738 174.900 0.041 0.000 1.539 128 G CA 0.529 45.642 45.100 0.022 0.000 0.893 128 G HN -0.157 8.461 8.290 0.046 -0.300 0.636 129 E N -0.179 120.070 120.200 0.081 0.000 2.222 129 E HA 0.335 4.857 4.350 0.054 -0.140 0.272 129 E C 0.126 176.750 176.600 0.040 0.000 0.982 129 E CA -1.959 54.483 56.400 0.069 0.000 0.842 129 E CB 2.477 32.240 29.700 0.106 0.000 1.144 129 E HN -0.172 8.260 8.360 0.120 0.000 0.397 130 T N -1.557 113.018 114.554 0.035 0.000 2.816 130 T HA 0.096 4.460 4.350 0.024 0.000 0.282 130 T C 1.405 176.129 174.700 0.039 0.000 0.993 130 T CA -1.005 61.114 62.100 0.031 0.000 0.994 130 T CB 1.544 70.429 68.868 0.028 0.000 1.025 130 T HN 0.384 8.989 8.240 0.037 -0.343 0.529 131 L N 2.149 123.394 121.223 0.036 0.000 2.012 131 L HA -0.281 4.087 4.340 0.046 0.000 0.210 131 L C 1.750 178.642 176.870 0.036 0.000 1.073 131 L CA 3.844 58.708 54.840 0.039 0.000 0.748 131 L CB -0.551 41.529 42.059 0.035 0.000 0.891 131 L HN 0.396 8.646 8.230 0.032 0.000 0.431 132 E N -1.976 118.243 120.200 0.031 0.000 2.077 132 E HA -0.336 4.030 4.350 0.026 0.000 0.193 132 E C 2.498 179.115 176.600 0.028 0.000 0.989 132 E CA 3.366 59.782 56.400 0.027 0.000 0.800 132 E CB -0.693 29.021 29.700 0.023 0.000 0.746 132 E HN 0.376 8.754 8.360 0.030 0.000 0.452 133 E N -0.539 119.679 120.200 0.031 0.000 2.051 133 E HA -0.340 4.026 4.350 0.026 0.000 0.192 133 E C 2.185 178.808 176.600 0.038 0.000 0.991 133 E CA 2.897 59.316 56.400 0.032 0.000 0.799 133 E CB -0.168 29.553 29.700 0.035 0.000 0.748 133 E HN -0.703 7.676 8.360 0.032 0.000 0.449 134 K N 0.361 120.790 120.400 0.049 0.000 2.026 134 K HA -0.267 4.089 4.320 0.059 0.000 0.208 134 K C 2.976 179.600 176.600 0.042 0.000 1.048 134 K CA 2.991 59.311 56.287 0.056 0.000 0.929 134 K CB -0.068 32.475 32.500 0.072 0.000 0.713 134 K HN -0.167 8.113 8.250 0.050 0.000 0.439 135 K N -1.108 119.314 120.400 0.036 0.000 2.209 135 K HA -0.236 4.101 4.320 0.029 0.000 0.204 135 K C 1.809 178.423 176.600 0.023 0.000 1.048 135 K CA 2.443 58.747 56.287 0.029 0.000 0.940 135 K CB -0.123 32.393 32.500 0.026 0.000 0.729 135 K HN -0.308 7.964 8.250 0.037 0.000 0.451 136 A N -4.147 118.686 122.820 0.022 0.000 2.238 136 A HA 0.099 4.428 4.320 0.016 0.000 0.208 136 A C 0.162 177.755 177.584 0.015 0.000 1.177 136 A CA -0.217 51.830 52.037 0.017 0.000 0.804 136 A CB -0.202 18.808 19.000 0.016 0.000 0.823 136 A HN -0.493 7.548 8.150 0.025 0.125 0.482 137 G N -2.093 106.718 108.800 0.018 0.000 2.136 137 G HA2 -0.266 3.704 3.960 0.016 0.000 0.242 137 G HA3 -0.266 3.700 3.960 0.011 0.000 0.242 137 G C 0.569 175.475 174.900 0.010 0.000 0.989 137 G CA 0.336 45.444 45.100 0.014 0.000 0.682 137 G HN -0.571 7.555 8.290 0.023 0.177 0.522 138 K N -2.115 118.294 120.400 0.014 0.000 2.399 138 K HA 0.390 4.709 4.320 -0.001 0.000 0.204 138 K C 0.535 177.140 176.600 0.009 0.000 1.023 138 K CA -0.872 55.420 56.287 0.007 0.000 1.127 138 K CB -0.138 32.368 32.500 0.010 0.000 0.856 138 K HN -0.247 8.015 8.250 0.020 0.000 0.514 139 T N 2.446 117.013 114.554 0.022 0.000 2.635 139 T HA -0.339 4.049 4.350 0.063 0.000 0.267 139 T C 1.214 175.910 174.700 -0.008 0.000 1.040 139 T CA 4.987 67.109 62.100 0.038 0.000 1.156 139 T CB -0.367 68.537 68.868 0.060 0.000 0.863 139 T HN 0.171 8.425 8.240 0.024 0.000 0.430 140 L N -1.565 119.630 121.223 -0.046 0.000 2.093 140 L HA -0.311 3.952 4.340 -0.129 0.000 0.208 140 L C 1.741 178.532 176.870 -0.131 0.000 1.085 140 L CA 3.088 57.864 54.840 -0.106 0.000 0.755 140 L CB -0.402 41.593 42.059 -0.106 0.000 0.904 140 L HN 0.047 8.256 8.230 -0.034 0.000 0.435 141 D N -1.102 119.247 120.400 -0.084 0.000 2.104 141 D HA -0.310 4.268 4.640 -0.105 0.000 0.194 141 D C 2.470 178.728 176.300 -0.071 0.000 0.994 141 D CA 3.326 57.278 54.000 -0.079 0.000 0.830 141 D CB -0.797 39.980 40.800 -0.039 0.000 0.959 141 D HN -0.198 8.136 8.370 -0.060 0.000 0.452 142 V N -0.939 118.952 119.914 -0.037 0.000 2.295 142 V HA -0.360 3.755 4.120 -0.010 0.000 0.246 142 V C 1.674 177.753 176.094 -0.025 0.000 1.049 142 V CA 3.904 66.196 62.300 -0.013 0.000 1.024 142 V CB -0.489 31.345 31.823 0.019 0.000 0.648 142 V HN -0.128 8.046 8.190 -0.026 0.000 0.447 143 V N -3.348 116.543 119.914 -0.038 0.000 2.515 143 V HA -0.177 4.100 4.120 0.009 -0.152 0.250 143 V C 2.269 178.282 176.094 -0.135 0.000 1.058 143 V CA 3.199 65.475 62.300 -0.040 0.000 1.064 143 V CB -1.248 30.564 31.823 -0.018 0.000 0.675 143 V HN -0.505 7.662 8.190 -0.038 0.000 0.461 144 E N 0.950 120.979 120.200 -0.286 0.000 2.106 144 E HA -0.362 3.576 4.350 -0.688 0.000 0.192 144 E C 2.174 178.669 176.600 -0.174 0.000 0.984 144 E CA 3.409 59.502 56.400 -0.511 0.000 0.806 144 E CB -0.527 28.698 29.700 -0.792 0.000 0.750 144 E HN -0.211 7.989 8.360 -0.267 0.000 0.458 145 R N 0.285 120.733 120.500 -0.087 0.000 2.073 145 R HA -0.405 3.942 4.340 0.012 0.000 0.234 145 R C 2.301 178.620 176.300 0.032 0.000 1.134 145 R CA 3.575 59.672 56.100 -0.005 0.000 0.952 145 R CB -0.164 30.135 30.300 -0.001 0.000 0.850 145 R HN -0.334 7.874 8.270 -0.104 0.000 0.433 146 Q N -1.480 118.336 119.800 0.026 0.000 2.084 146 Q HA -0.294 4.080 4.340 0.058 0.000 0.202 146 Q C 2.927 178.980 176.000 0.089 0.000 0.978 146 Q CA 3.055 58.891 55.803 0.054 0.000 0.844 146 Q CB -0.035 28.731 28.738 0.046 0.000 0.898 146 Q HN -0.426 7.847 8.270 0.004 0.000 0.426 147 L N -0.831 120.457 121.223 0.108 0.000 2.056 147 L HA -0.436 4.029 4.340 0.209 0.000 0.207 147 L C 1.762 178.763 176.870 0.217 0.000 1.078 147 L CA 2.917 57.877 54.840 0.201 0.000 0.749 147 L CB -0.349 41.879 42.059 0.280 0.000 0.901 147 L HN -0.142 8.129 8.230 0.067 0.000 0.433 148 N N -1.437 117.389 118.700 0.209 0.000 2.149 148 N HA -0.439 4.422 4.740 0.201 0.000 0.188 148 N C 1.629 177.213 175.510 0.123 0.000 1.019 148 N CA 3.437 56.598 53.050 0.184 0.000 0.857 148 N CB -0.028 38.564 38.487 0.176 0.000 0.997 148 N HN 0.029 8.518 8.380 0.182 0.000 0.426 149 A N -0.180 122.704 122.820 0.106 0.000 1.902 149 A HA -0.245 4.122 4.320 0.078 0.000 0.217 149 A C 1.557 179.199 177.584 0.096 0.000 1.181 149 A CA 2.831 54.921 52.037 0.088 0.000 0.623 149 A CB -0.313 18.735 19.000 0.079 0.000 0.818 149 A HN -0.605 7.607 8.150 0.104 0.000 0.443 150 V N -1.617 118.369 119.914 0.121 0.000 2.343 150 V HA -0.434 3.747 4.120 0.102 0.000 0.247 150 V C 1.996 178.188 176.094 0.163 0.000 1.051 150 V CA 3.836 66.219 62.300 0.138 0.000 1.036 150 V CB -0.527 31.398 31.823 0.171 0.000 0.654 150 V HN -0.861 7.407 8.190 0.129 0.000 0.451 151 L N -1.586 119.734 121.223 0.162 0.000 2.265 151 L HA -0.265 4.343 4.340 0.132 -0.188 0.215 151 L C 2.603 179.511 176.870 0.063 0.000 1.117 151 L CA 2.615 57.515 54.840 0.101 0.000 0.782 151 L CB -0.739 41.332 42.059 0.020 0.000 0.914 151 L HN 0.021 8.351 8.230 0.167 0.000 0.441 152 E N -0.561 119.678 120.200 0.066 0.000 2.153 152 E HA -0.359 4.012 4.350 0.035 0.000 0.194 152 E C 2.407 179.035 176.600 0.047 0.000 0.988 152 E CA 3.246 59.674 56.400 0.047 0.000 0.811 152 E CB -0.119 29.610 29.700 0.049 0.000 0.746 152 E HN -0.369 8.012 8.360 0.078 0.026 0.466 153 E N -3.877 116.359 120.200 0.061 0.000 2.340 153 E HA 0.043 4.419 4.350 0.044 0.000 0.198 153 E C 0.242 176.880 176.600 0.063 0.000 0.961 153 E CA 0.179 56.611 56.400 0.054 0.000 0.905 153 E CB 1.664 31.394 29.700 0.050 0.000 0.884 153 E HN -0.514 7.758 8.360 0.073 0.132 0.491 154 V N 1.290 121.264 119.914 0.100 0.000 2.378 154 V HA 0.092 4.271 4.120 0.097 0.000 0.288 154 V C -0.934 175.258 176.094 0.164 0.000 1.016 154 V CA -1.568 60.816 62.300 0.141 0.000 0.840 154 V CB 0.705 32.649 31.823 0.202 0.000 0.994 154 V HN -0.083 8.174 8.190 0.112 0.000 0.431 155 K N 4.431 124.894 120.400 0.106 0.000 2.355 155 K HA 0.161 4.491 4.320 0.015 0.000 0.198 155 K C -0.898 175.737 176.600 0.058 0.000 1.039 155 K CA -0.890 55.426 56.287 0.047 0.000 1.075 155 K CB 0.809 33.319 32.500 0.016 0.000 0.870 155 K HN 0.405 8.710 8.250 0.092 0.000 0.540 156 D N -1.177 119.311 120.400 0.147 0.000 2.686 156 D HA 0.072 4.777 4.640 0.108 0.000 0.249 156 D C -0.894 175.587 176.300 0.302 0.000 1.260 156 D CA -0.585 53.505 54.000 0.150 0.000 0.910 156 D CB 0.892 41.732 40.800 0.068 0.000 1.323 156 D HN -0.504 7.974 8.370 0.180 0.000 0.561 157 F N 4.021 123.955 119.950 -0.028 0.000 2.668 157 F HA 0.272 4.784 4.527 -0.025 0.000 0.297 157 F C 1.395 177.182 175.800 -0.022 0.000 1.124 157 F CA -2.107 55.878 58.000 -0.025 0.000 1.353 157 F CB 0.067 39.051 39.000 -0.026 0.000 0.992 157 F HN 0.319 8.808 8.300 0.315 0.000 0.524 158 T N 2.580 117.205 114.554 0.119 0.000 2.699 158 T HA -0.336 4.055 4.350 0.068 0.000 0.268 158 T C 0.106 174.823 174.700 0.027 0.000 1.036 158 T CA 4.478 66.614 62.100 0.059 0.000 1.147 158 T CB -0.087 68.799 68.868 0.032 0.000 0.862 158 T HN -0.243 8.301 8.240 0.118 -0.234 0.446 159 N N -1.228 117.465 118.700 -0.012 0.000 2.321 159 N HA 0.189 4.919 4.740 -0.017 0.000 0.242 159 N C -2.050 173.424 175.510 -0.060 0.000 1.141 159 N CA -0.364 52.658 53.050 -0.046 0.000 0.864 159 N CB -0.020 38.408 38.487 -0.098 0.000 1.100 159 N HN 0.225 8.578 8.380 -0.015 0.018 0.510 160 V N 0.055 119.918 119.914 -0.085 0.000 2.581 160 V HA 0.646 4.857 4.120 -0.157 -0.185 0.303 160 V C -1.175 174.843 176.094 -0.127 0.000 1.041 160 V CA -1.800 60.390 62.300 -0.184 0.000 0.907 160 V CB 2.320 33.818 31.823 -0.543 0.000 0.994 160 V HN -0.559 7.517 8.190 -0.050 0.084 0.442 161 V N 4.084 123.881 119.914 -0.194 0.000 2.540 161 V HA 0.244 4.316 4.120 -0.251 -0.102 0.302 161 V C -1.600 174.345 176.094 -0.248 0.000 1.035 161 V CA -1.581 60.531 62.300 -0.313 0.000 0.873 161 V CB 3.288 34.677 31.823 -0.724 0.000 0.992 161 V HN 0.481 8.566 8.190 -0.175 0.000 0.428 162 V N 6.868 126.682 119.914 -0.166 0.000 2.439 162 V HA 0.346 4.570 4.120 -0.103 -0.166 0.282 162 V C -1.734 174.284 176.094 -0.127 0.000 1.039 162 V CA -1.839 60.400 62.300 -0.102 0.000 0.913 162 V CB 1.177 32.999 31.823 -0.002 0.000 0.983 162 V HN 0.166 8.268 8.190 -0.146 0.000 0.460 163 A N 8.108 130.868 122.820 -0.100 0.000 2.267 163 A HA 0.398 4.806 4.320 -0.091 -0.142 0.315 163 A C -2.356 175.196 177.584 -0.053 0.000 1.297 163 A CA -2.022 49.961 52.037 -0.090 0.000 0.865 163 A CB 2.130 21.072 19.000 -0.096 0.000 1.165 163 A HN 0.760 8.857 8.150 -0.089 0.000 0.513 164 Y N 7.414 127.625 120.300 -0.149 0.000 2.452 164 Y HA 0.202 4.842 4.550 -0.094 -0.146 0.348 164 Y C -1.890 173.953 175.900 -0.095 0.000 0.985 164 Y CA -1.857 56.184 58.100 -0.098 0.000 1.214 164 Y CB 0.807 39.197 38.460 -0.118 0.000 1.136 164 Y HN 0.466 8.761 8.280 0.024 0.000 0.523 165 E N 9.084 128.859 120.200 -0.709 0.000 2.267 165 E HA 0.682 4.799 4.350 -0.760 -0.222 0.248 165 E C -2.086 174.145 176.600 -0.614 0.000 0.899 165 E CA -3.633 52.370 56.400 -0.660 0.000 0.764 165 E CB 1.866 31.315 29.700 -0.419 0.000 1.227 165 E HN 0.271 8.313 8.360 -0.530 0.000 0.421 166 P HA -0.195 4.091 4.420 -0.223 0.000 0.264 166 P C -0.180 177.036 177.300 -0.140 0.000 1.193 166 P CA -0.362 62.587 63.100 -0.252 0.000 0.763 166 P CB 0.174 31.850 31.700 -0.041 0.000 0.810 170 I N 1.784 122.357 120.570 0.005 0.000 2.421 170 I HA -0.230 3.943 4.170 0.005 0.000 0.291 170 I C 0.326 176.462 176.117 0.031 0.000 1.089 170 I CA 0.788 62.094 61.300 0.010 0.000 1.354 170 I CB -0.143 37.858 38.000 0.001 0.000 1.413 170 I HN -0.425 7.678 8.210 -0.003 0.106 0.513 171 G N 7.086 115.908 108.800 0.036 0.000 2.189 171 G HA2 -0.283 3.696 3.960 0.031 0.000 0.267 171 G HA3 -0.283 3.695 3.960 0.030 0.000 0.267 171 G C 0.788 175.707 174.900 0.031 0.000 0.975 171 G CA 1.254 46.373 45.100 0.032 0.000 0.644 171 G HN 0.505 8.817 8.290 0.037 0.000 0.537 172 T N -0.301 114.275 114.554 0.038 0.000 3.051 172 T HA -0.030 4.339 4.350 0.031 0.000 0.255 172 T C 1.567 176.292 174.700 0.042 0.000 1.085 172 T CA 0.141 62.264 62.100 0.037 0.000 1.109 172 T CB 0.921 69.813 68.868 0.040 0.000 0.921 172 T HN -0.485 7.720 8.240 0.042 0.060 0.488 173 G N 2.938 111.770 108.800 0.052 0.000 2.176 173 G HA2 -0.358 3.639 3.960 0.061 0.000 0.253 173 G HA3 -0.358 3.631 3.960 0.047 0.000 0.253 173 G C -0.885 174.057 174.900 0.071 0.000 0.979 173 G CA 0.246 45.380 45.100 0.057 0.000 0.641 173 G HN -0.227 8.096 8.290 0.055 0.000 0.530 174 L N 2.335 123.604 121.223 0.077 0.000 2.475 174 L HA 0.154 4.540 4.340 0.077 0.000 0.253 174 L C -1.232 175.713 176.870 0.125 0.000 1.137 174 L CA -1.365 53.525 54.840 0.084 0.000 1.058 174 L CB -1.493 40.607 42.059 0.067 0.000 1.382 174 L HN -0.735 7.466 8.230 0.073 0.073 0.416 175 A N 2.517 125.432 122.820 0.158 0.000 2.322 175 A HA 0.165 4.677 4.320 0.321 0.000 0.269 175 A C -0.010 177.697 177.584 0.205 0.000 1.094 175 A CA -1.019 51.171 52.037 0.254 0.000 0.807 175 A CB 1.165 20.343 19.000 0.296 0.000 1.047 175 A HN -0.447 7.784 8.150 0.135 0.000 0.487 176 A N 3.029 126.006 122.820 0.262 0.000 2.466 176 A HA -0.063 4.338 4.320 0.136 0.000 0.238 176 A C 0.207 177.797 177.584 0.009 0.000 1.074 176 A CA 0.057 52.177 52.037 0.138 0.000 0.774 176 A CB 0.625 19.747 19.000 0.203 0.000 1.015 176 A HN -0.120 8.291 8.150 0.436 0.000 0.498 177 T N -1.264 113.268 114.554 -0.036 0.000 2.899 177 T HA 0.157 4.387 4.350 -0.200 0.000 0.295 177 T C -0.013 174.507 174.700 -0.300 0.000 1.033 177 T CA -1.963 60.039 62.100 -0.163 0.000 1.084 177 T CB 0.164 68.962 68.868 -0.116 0.000 0.979 177 T HN -0.074 8.168 8.240 0.004 0.000 0.532 178 P HA -0.277 3.643 4.420 -0.834 0.000 0.216 178 P C 1.513 178.661 177.300 -0.254 0.000 1.153 178 P CA 2.999 65.683 63.100 -0.694 0.000 0.858 178 P CB 0.083 31.270 31.700 -0.854 0.000 0.789 179 E N -3.242 116.848 120.200 -0.184 0.000 2.058 179 E HA -0.409 3.889 4.350 -0.085 0.000 0.194 179 E C 1.664 178.233 176.600 -0.052 0.000 0.997 179 E CA 3.229 59.573 56.400 -0.095 0.000 0.801 179 E CB -0.359 29.295 29.700 -0.077 0.000 0.746 179 E HN 0.246 8.480 8.360 -0.209 0.000 0.450 180 D N -0.498 119.881 120.400 -0.035 0.000 2.103 180 D HA -0.181 4.468 4.640 0.014 0.000 0.199 180 D C 2.357 178.690 176.300 0.054 0.000 0.978 180 D CA 2.897 56.907 54.000 0.017 0.000 0.829 180 D CB -0.379 40.446 40.800 0.042 0.000 0.981 180 D HN -0.801 7.534 8.370 -0.058 0.000 0.464 181 A N -0.085 122.770 122.820 0.059 0.000 1.883 181 A HA -0.402 4.075 4.320 0.260 0.000 0.217 181 A C 1.734 179.299 177.584 -0.030 0.000 1.186 181 A CA 3.438 55.539 52.037 0.107 0.000 0.624 181 A CB -0.488 18.561 19.000 0.081 0.000 0.822 181 A HN 0.029 8.189 8.150 0.017 0.000 0.444 182 Q N -0.864 118.897 119.800 -0.064 0.000 2.077 182 Q HA -0.382 3.895 4.340 -0.105 0.000 0.206 182 Q C 2.090 178.096 176.000 0.010 0.000 0.989 182 Q CA 2.894 58.664 55.803 -0.054 0.000 0.853 182 Q CB -0.565 28.151 28.738 -0.036 0.000 0.907 182 Q HN -0.123 8.117 8.270 -0.050 0.000 0.418 183 D N -0.913 119.491 120.400 0.008 0.000 2.144 183 D HA -0.257 4.391 4.640 0.014 0.000 0.199 183 D C 2.388 178.696 176.300 0.013 0.000 0.984 183 D CA 3.323 57.330 54.000 0.012 0.000 0.834 183 D CB -0.232 40.570 40.800 0.003 0.000 0.955 183 D HN -0.623 7.746 8.370 -0.001 0.000 0.465 184 I N -0.522 120.052 120.570 0.007 0.000 2.202 184 I HA -0.542 3.573 4.170 -0.093 0.000 0.242 184 I C 1.958 178.062 176.117 -0.023 0.000 1.091 184 I CA 4.112 65.366 61.300 -0.077 0.000 1.368 184 I CB 0.017 37.869 38.000 -0.246 0.000 1.058 184 I HN -0.632 7.591 8.210 0.022 0.000 0.410 185 H N -0.672 118.335 119.070 -0.105 0.000 2.352 185 H HA -0.429 4.085 4.556 -0.070 0.000 0.299 185 H C 2.187 177.504 175.328 -0.018 0.000 1.097 185 H CA 3.420 59.441 56.048 -0.044 0.000 1.311 185 H CB 0.217 29.997 29.762 0.029 0.000 1.377 185 H HN -0.020 8.434 8.280 0.290 0.000 0.504 186 A N -1.360 121.532 122.820 0.120 0.000 1.902 186 A HA -0.339 4.026 4.320 0.074 0.000 0.217 186 A C 1.889 179.500 177.584 0.046 0.000 1.181 186 A CA 3.223 55.301 52.037 0.068 0.000 0.623 186 A CB -0.700 18.328 19.000 0.047 0.000 0.818 186 A HN 0.041 8.264 8.150 0.122 0.000 0.443 187 S N -0.396 115.320 115.700 0.025 0.000 2.368 187 S HA -0.296 4.192 4.470 0.031 0.000 0.225 187 S C 2.164 176.787 174.600 0.038 0.000 1.030 187 S CA 3.499 61.709 58.200 0.016 0.000 0.999 187 S CB -0.413 62.774 63.200 -0.022 0.000 0.844 187 S HN -0.524 7.797 8.310 0.020 0.000 0.459 188 I N 3.458 124.031 120.570 0.003 0.000 2.226 188 I HA -0.479 3.728 4.170 0.062 0.000 0.245 188 I C 1.499 177.679 176.117 0.105 0.000 1.100 188 I CA 4.248 65.571 61.300 0.038 0.000 1.374 188 I CB -0.422 37.545 38.000 -0.056 0.000 1.057 188 I HN -0.135 8.059 8.210 -0.027 0.000 0.413 189 R N -0.718 119.818 120.500 0.060 0.000 2.081 189 R HA -0.419 3.943 4.340 0.037 0.000 0.235 189 R C 1.854 178.176 176.300 0.038 0.000 1.131 189 R CA 3.881 60.009 56.100 0.045 0.000 0.960 189 R CB -0.244 30.082 30.300 0.043 0.000 0.856 189 R HN -0.105 8.194 8.270 0.048 0.000 0.436 190 K N -0.947 119.486 120.400 0.055 0.000 2.026 190 K HA -0.350 3.980 4.320 0.016 0.000 0.208 190 K C 1.942 178.574 176.600 0.053 0.000 1.048 190 K CA 3.527 59.840 56.287 0.044 0.000 0.929 190 K CB -0.280 32.249 32.500 0.050 0.000 0.713 190 K HN -0.492 7.794 8.250 0.060 0.000 0.439 191 F N 0.524 120.449 119.950 -0.042 0.000 2.069 191 F HA -0.349 4.152 4.527 -0.043 0.000 0.298 191 F C 1.981 177.739 175.800 -0.070 0.000 1.113 191 F CA 3.319 61.289 58.000 -0.049 0.000 1.214 191 F CB 0.039 39.012 39.000 -0.045 0.000 0.978 191 F HN -0.500 7.942 8.300 0.237 0.000 0.474 192 L N -1.825 119.311 121.223 -0.145 0.000 2.141 192 L HA -0.443 3.589 4.340 -0.513 0.000 0.209 192 L C 1.683 178.387 176.870 -0.276 0.000 1.094 192 L CA 2.529 57.190 54.840 -0.298 0.000 0.763 192 L CB -0.621 41.350 42.059 -0.146 0.000 0.908 192 L HN 0.046 8.329 8.230 0.088 0.000 0.437 193 A N -1.231 121.490 122.820 -0.165 0.000 1.940 193 A HA -0.235 4.176 4.320 -0.132 -0.171 0.219 193 A C 2.152 179.635 177.584 -0.169 0.000 1.176 193 A CA 3.007 54.962 52.037 -0.137 0.000 0.631 193 A CB -0.632 18.322 19.000 -0.076 0.000 0.814 193 A HN 0.201 8.284 8.150 -0.112 0.000 0.446 194 S N -4.171 111.403 115.700 -0.211 0.000 2.447 194 S HA -0.183 4.198 4.470 -0.147 0.000 0.233 194 S C 0.857 175.306 174.600 -0.252 0.000 1.006 194 S CA 2.722 60.798 58.200 -0.207 0.000 0.957 194 S CB -0.335 62.747 63.200 -0.197 0.000 0.773 194 S HN -0.493 7.664 8.310 -0.224 0.018 0.507 195 K N -0.038 120.156 120.400 -0.344 0.000 2.287 195 K HA 0.111 4.265 4.320 -0.275 0.000 0.199 195 K C 1.119 177.562 176.600 -0.262 0.000 1.061 195 K CA 0.945 57.032 56.287 -0.334 0.000 0.976 195 K CB 1.048 33.258 32.500 -0.483 0.000 0.898 195 K HN -0.598 7.251 8.250 -0.385 0.170 0.492 196 L N -4.689 116.371 121.223 -0.272 0.000 2.701 196 L HA 0.186 4.399 4.340 -0.210 0.000 0.238 196 L C -0.481 176.298 176.870 -0.151 0.000 1.106 196 L CA -0.264 54.436 54.840 -0.233 0.000 0.898 196 L CB 1.817 43.681 42.059 -0.325 0.000 1.188 196 L HN -0.350 7.707 8.230 -0.289 0.000 0.508 197 G N -1.415 107.302 108.800 -0.138 0.000 2.699 197 G HA2 -0.304 3.641 3.960 -0.089 0.000 0.686 197 G HA3 -0.304 3.608 3.960 -0.079 0.000 0.686 197 G C -1.488 173.365 174.900 -0.078 0.000 1.301 197 G CA -0.802 44.242 45.100 -0.093 0.000 0.816 197 G HN -0.817 7.377 8.290 -0.161 0.000 0.595 198 D N 0.704 121.071 120.400 -0.056 0.000 2.144 198 D HA -0.345 4.269 4.640 -0.043 0.000 0.199 198 D C 2.009 178.291 176.300 -0.029 0.000 0.984 198 D CA 3.083 57.059 54.000 -0.040 0.000 0.834 198 D CB -0.018 40.765 40.800 -0.029 0.000 0.955 198 D HN 0.243 8.581 8.370 -0.053 0.000 0.465 199 K N -0.528 119.857 120.400 -0.026 0.000 2.002 199 K HA -0.343 3.973 4.320 -0.008 0.000 0.209 199 K C 1.659 178.252 176.600 -0.011 0.000 1.048 199 K CA 2.897 59.176 56.287 -0.014 0.000 0.930 199 K CB -0.046 32.447 32.500 -0.012 0.000 0.714 199 K HN -0.041 8.191 8.250 -0.030 0.000 0.438 200 A N -1.871 120.935 122.820 -0.023 0.000 1.883 200 A HA -0.264 4.059 4.320 0.005 0.000 0.217 200 A C 1.893 179.468 177.584 -0.016 0.000 1.186 200 A CA 2.739 54.766 52.037 -0.017 0.000 0.624 200 A CB -0.787 18.185 19.000 -0.048 0.000 0.822 200 A HN 0.026 8.157 8.150 -0.033 0.000 0.444 201 A N -2.936 119.860 122.820 -0.040 0.000 1.933 201 A HA -0.326 3.976 4.320 -0.029 0.000 0.218 201 A C 1.905 179.489 177.584 0.001 0.000 1.175 201 A CA 2.844 54.863 52.037 -0.030 0.000 0.628 201 A CB -0.741 18.230 19.000 -0.048 0.000 0.814 201 A HN -0.307 7.811 8.150 -0.054 0.000 0.444 202 S N -3.871 111.831 115.700 0.002 0.000 2.447 202 S HA -0.303 4.178 4.470 0.018 0.000 0.233 202 S C 1.826 176.441 174.600 0.025 0.000 1.006 202 S CA 2.937 61.146 58.200 0.014 0.000 0.957 202 S CB -0.098 63.108 63.200 0.010 0.000 0.773 202 S HN -0.270 8.036 8.310 -0.006 0.000 0.507 203 E N 0.162 120.378 120.200 0.026 0.000 2.415 203 E HA 0.012 4.385 4.350 0.039 0.000 0.197 203 E C -0.274 176.352 176.600 0.044 0.000 1.007 203 E CA -0.198 56.224 56.400 0.037 0.000 0.890 203 E CB 0.614 30.334 29.700 0.035 0.000 0.891 203 E HN -0.700 7.516 8.360 0.020 0.156 0.496 204 L N 1.685 122.935 121.223 0.045 0.000 2.418 204 L HA 0.024 4.397 4.340 0.055 0.000 0.274 204 L C -1.027 175.859 176.870 0.027 0.000 1.135 204 L CA -0.120 54.750 54.840 0.051 0.000 0.870 204 L CB 0.653 42.761 42.059 0.080 0.000 1.154 204 L HN -0.825 7.429 8.230 0.039 0.000 0.462 205 R N 6.882 127.374 120.500 -0.014 0.000 2.347 205 R HA 0.040 4.578 4.340 -0.000 -0.199 0.304 205 R C -0.634 175.617 176.300 -0.081 0.000 1.072 205 R CA -0.228 55.842 56.100 -0.050 0.000 0.980 205 R CB -0.040 30.186 30.300 -0.123 0.000 0.986 205 R HN 0.477 8.733 8.270 -0.024 0.000 0.448 206 I N 4.509 125.060 120.570 -0.032 0.000 2.390 206 I HA 0.530 4.833 4.170 -0.114 -0.202 0.283 206 I C -1.103 175.018 176.117 0.006 0.000 1.016 206 I CA -1.068 60.189 61.300 -0.071 0.000 1.151 206 I CB 0.676 38.605 38.000 -0.118 0.000 1.293 206 I HN 0.274 8.826 8.210 0.016 -0.332 0.458 207 L N 5.322 126.515 121.223 -0.049 0.000 2.379 207 L HA 0.332 4.801 4.340 -0.020 -0.140 0.269 207 L C -1.140 175.841 176.870 0.186 0.000 1.084 207 L CA -1.444 53.399 54.840 0.005 0.000 0.802 207 L CB 1.289 43.302 42.059 -0.076 0.000 1.175 207 L HN 0.727 8.890 8.230 -0.112 0.000 0.448 208 Y N 2.676 123.026 120.300 0.082 0.000 2.323 208 Y HA 0.466 5.372 4.550 0.338 -0.153 0.331 208 Y C -0.819 175.154 175.900 0.121 0.000 1.092 208 Y CA -1.296 56.902 58.100 0.164 0.000 1.150 208 Y CB 2.570 41.019 38.460 -0.018 0.000 1.200 208 Y HN -0.076 8.215 8.280 0.017 0.000 0.472 209 G N 3.572 111.779 108.800 -0.988 0.000 2.642 209 G HA2 0.637 4.389 3.960 -0.456 0.000 0.293 209 G HA3 0.637 4.583 3.960 -0.394 -0.222 0.293 209 G C -2.399 171.951 174.900 -0.916 0.000 1.341 209 G CA -1.117 43.556 45.100 -0.713 0.000 0.916 209 G HN 0.166 7.826 8.290 -1.049 0.000 0.474 210 G N -1.423 107.158 108.800 -0.365 0.000 2.730 210 G HA2 -0.254 3.691 3.960 -0.080 0.000 0.644 210 G HA3 -0.254 3.614 3.960 -0.153 0.000 0.644 210 G C -1.124 173.830 174.900 0.090 0.000 1.168 210 G CA -0.358 44.665 45.100 -0.128 0.000 1.240 210 G HN -0.012 8.146 8.290 -0.220 0.000 0.551 211 S N -1.152 114.597 115.700 0.082 0.000 3.641 211 S HA -0.436 4.083 4.470 0.080 0.000 0.346 211 S C -0.971 173.727 174.600 0.162 0.000 1.074 211 S CA 1.280 59.549 58.200 0.116 0.000 1.026 211 S CB -1.098 62.176 63.200 0.124 0.000 0.908 211 S HN 0.305 8.640 8.310 0.043 0.000 0.479 212 A N -0.672 122.231 122.820 0.139 0.000 2.404 212 A HA -0.142 4.357 4.320 0.074 -0.135 0.273 212 A C -1.279 176.283 177.584 -0.036 0.000 1.144 212 A CA 0.046 52.106 52.037 0.039 0.000 0.806 212 A CB 0.718 19.694 19.000 -0.040 0.000 1.080 212 A HN -0.119 8.055 8.150 0.110 0.042 0.509 213 N N 1.440 120.104 118.700 -0.059 0.000 2.902 213 N HA 0.298 5.030 4.740 -0.013 0.000 0.268 213 N C 0.859 176.339 175.510 -0.050 0.000 1.450 213 N CA -1.009 52.027 53.050 -0.024 0.000 0.819 213 N CB 1.977 40.475 38.487 0.019 0.000 1.540 213 N HN 0.003 8.675 8.380 -0.069 -0.334 0.545 214 G N -2.713 106.080 108.800 -0.012 0.000 2.559 214 G HA2 -0.164 3.779 3.960 -0.028 0.000 0.216 214 G HA3 -0.164 3.798 3.960 0.004 0.000 0.216 214 G C 0.364 175.264 174.900 -0.001 0.000 1.126 214 G CA 1.451 46.545 45.100 -0.011 0.000 0.778 214 G HN 0.194 8.805 8.290 0.005 -0.318 0.543 215 S N 0.910 116.616 115.700 0.010 0.000 2.404 215 S HA 0.082 4.563 4.470 0.018 0.000 0.223 215 S C 1.034 175.657 174.600 0.037 0.000 1.040 215 S CA 2.331 60.543 58.200 0.021 0.000 0.957 215 S CB 0.786 63.999 63.200 0.022 0.000 0.826 215 S HN -0.262 8.252 8.310 0.011 -0.197 0.491 216 N N 0.097 118.831 118.700 0.057 0.000 2.424 216 N HA -0.000 4.798 4.740 0.097 0.000 0.178 216 N C 2.043 177.684 175.510 0.218 0.000 1.060 216 N CA 1.242 54.369 53.050 0.128 0.000 0.901 216 N CB -0.166 38.432 38.487 0.186 0.000 0.979 216 N HN -0.489 8.194 8.380 0.046 -0.276 0.451 217 A N 1.363 124.209 122.820 0.043 0.000 1.908 217 A HA -0.278 3.942 4.320 -0.167 0.000 0.218 217 A C 1.651 179.406 177.584 0.283 0.000 1.181 217 A CA 3.283 55.284 52.037 -0.060 0.000 0.627 217 A CB -0.737 18.018 19.000 -0.409 0.000 0.818 217 A HN -0.436 7.696 8.150 -0.030 0.000 0.445 218 V N -3.172 116.842 119.914 0.166 0.000 2.720 218 V HA -0.279 3.940 4.120 0.164 0.000 0.256 218 V C 1.233 177.424 176.094 0.160 0.000 1.082 218 V CA 2.203 64.593 62.300 0.150 0.000 1.101 218 V CB 0.011 31.877 31.823 0.071 0.000 0.693 218 V HN 0.028 8.280 8.190 0.102 0.000 0.479 219 T N 0.469 115.116 114.554 0.156 0.000 3.072 219 T HA -0.233 4.116 4.350 -0.002 0.000 0.266 219 T C 1.169 175.848 174.700 -0.036 0.000 1.127 219 T CA 2.876 64.982 62.100 0.011 0.000 1.107 219 T CB -0.429 68.377 68.868 -0.104 0.000 0.910 219 T HN -0.327 7.880 8.240 0.185 0.144 0.513 220 F N 0.960 120.980 119.950 0.117 0.000 2.732 220 F HA 0.178 4.737 4.527 0.053 0.000 0.303 220 F C 0.749 176.601 175.800 0.086 0.000 1.110 220 F CA 0.450 58.522 58.000 0.121 0.000 1.355 220 F CB 0.123 39.282 39.000 0.264 0.000 1.081 220 F HN -0.624 7.984 8.300 0.599 0.051 0.565 221 K N -0.128 120.397 120.400 0.208 0.000 2.152 221 K HA -0.259 4.120 4.320 0.098 0.000 0.206 221 K C -0.005 176.621 176.600 0.043 0.000 1.048 221 K CA 2.829 59.174 56.287 0.097 0.000 0.933 221 K CB -0.478 32.046 32.500 0.040 0.000 0.721 221 K HN -0.752 7.536 8.250 0.187 0.075 0.447 222 D N -2.369 118.053 120.400 0.037 0.000 2.424 222 D HA 0.183 4.827 4.640 0.008 0.000 0.220 222 D C -0.690 175.620 176.300 0.018 0.000 1.150 222 D CA -0.302 53.706 54.000 0.014 0.000 0.831 222 D CB -0.175 40.623 40.800 -0.002 0.000 0.981 222 D HN 0.109 8.475 8.370 0.041 0.029 0.500 223 K N 1.462 121.888 120.400 0.043 0.000 2.250 223 K HA 0.224 4.552 4.320 0.014 0.000 0.280 223 K C -0.001 176.622 176.600 0.038 0.000 1.098 223 K CA -2.204 54.103 56.287 0.034 0.000 0.916 223 K CB -1.414 31.117 32.500 0.051 0.000 1.209 223 K HN -0.730 7.492 8.250 0.071 0.071 0.461 224 A N 6.188 129.025 122.820 0.029 0.000 2.019 224 A HA -0.245 4.097 4.320 0.036 0.000 0.219 224 A C 0.137 177.754 177.584 0.055 0.000 1.164 224 A CA 2.730 54.789 52.037 0.036 0.000 0.644 224 A CB -0.080 18.937 19.000 0.027 0.000 0.805 224 A HN 0.874 9.037 8.150 0.021 0.000 0.449 225 D N -5.569 114.868 120.400 0.061 0.000 2.369 225 D HA 0.184 4.887 4.640 0.105 0.000 0.211 225 D C -1.175 175.230 176.300 0.174 0.000 1.077 225 D CA 0.431 54.496 54.000 0.108 0.000 0.842 225 D CB 1.498 42.369 40.800 0.118 0.000 0.947 225 D HN -0.351 8.319 8.370 0.045 -0.273 0.509 226 V N 1.528 121.486 119.914 0.073 0.000 2.348 226 V HA 0.102 4.321 4.120 0.166 0.000 0.270 226 V C -1.047 175.089 176.094 0.070 0.000 1.037 226 V CA -0.459 61.859 62.300 0.030 0.000 0.872 226 V CB -0.641 31.113 31.823 -0.116 0.000 1.002 226 V HN -0.719 7.444 8.190 0.045 0.053 0.464 227 D N 6.460 126.917 120.400 0.094 0.000 2.368 227 D HA 0.200 4.953 4.640 0.189 0.000 0.218 227 D C -0.390 175.948 176.300 0.065 0.000 1.112 227 D CA -0.093 53.981 54.000 0.123 0.000 0.834 227 D CB 1.254 42.111 40.800 0.095 0.000 0.953 227 D HN 0.330 8.778 8.370 0.129 0.000 0.505 228 G N -3.440 105.236 108.800 -0.206 0.000 2.350 228 G HA2 0.033 3.491 3.960 -0.836 0.000 0.282 228 G HA3 0.033 3.914 3.960 -0.503 -0.222 0.282 228 G C -3.154 171.269 174.900 -0.796 0.000 1.314 228 G CA -0.016 44.722 45.100 -0.604 0.000 0.915 228 G HN -0.656 7.409 8.290 -0.263 0.068 0.499 229 F N -3.672 116.220 119.950 -0.098 0.000 2.601 229 F HA 0.823 5.568 4.527 -0.012 -0.225 0.309 229 F C -1.929 173.877 175.800 0.010 0.000 1.089 229 F CA -1.407 56.573 58.000 -0.034 0.000 0.940 229 F CB 5.133 44.112 39.000 -0.035 0.000 1.273 229 F HN -0.064 8.143 8.300 -0.157 0.000 0.450 230 L N 2.376 123.704 121.223 0.174 0.000 2.276 230 L HA 0.406 4.981 4.340 0.169 -0.133 0.286 230 L C -2.006 174.938 176.870 0.124 0.000 1.024 230 L CA -1.093 53.824 54.840 0.128 0.000 0.826 230 L CB 1.897 43.985 42.059 0.049 0.000 1.211 230 L HN 0.066 8.373 8.230 0.128 0.000 0.422 231 V N 6.197 126.211 119.914 0.167 0.000 2.384 231 V HA 0.302 4.489 4.120 0.113 0.000 0.287 231 V C -0.548 175.600 176.094 0.089 0.000 1.020 231 V CA -1.836 60.554 62.300 0.150 0.000 0.850 231 V CB 1.523 33.515 31.823 0.282 0.000 0.987 231 V HN 0.337 8.643 8.190 0.194 0.000 0.436 232 G N 7.049 115.885 108.800 0.059 0.000 2.548 232 G HA2 -0.062 4.114 3.960 0.037 0.000 0.221 232 G HA3 -0.062 3.922 3.960 0.041 0.000 0.221 232 G C 0.991 175.896 174.900 0.009 0.000 1.796 232 G CA 0.835 45.957 45.100 0.037 0.000 0.889 232 G HN 0.405 8.730 8.290 0.058 0.000 0.599 233 G N 1.195 109.999 108.800 0.005 0.000 2.469 233 G HA2 -0.285 3.657 3.960 -0.031 0.000 0.219 233 G HA3 -0.285 3.671 3.960 -0.008 0.000 0.219 233 G C 1.540 176.421 174.900 -0.033 0.000 1.150 233 G CA 2.197 47.287 45.100 -0.017 0.000 0.763 233 G HN 0.197 8.498 8.290 0.017 0.000 0.561 234 A N 0.033 122.853 122.820 -0.000 0.000 2.168 234 A HA -0.017 4.303 4.320 0.001 0.000 0.215 234 A C 1.813 179.391 177.584 -0.009 0.000 1.152 234 A CA 1.725 53.773 52.037 0.019 0.000 0.716 234 A CB -0.735 18.303 19.000 0.063 0.000 0.794 234 A HN 0.254 8.415 8.150 0.018 0.000 0.465 235 S N -1.124 114.496 115.700 -0.132 0.000 2.515 235 S HA -0.189 3.760 4.470 -0.869 0.000 0.231 235 S C 0.772 175.068 174.600 -0.507 0.000 0.987 235 S CA 2.550 60.428 58.200 -0.536 0.000 0.936 235 S CB -0.057 62.839 63.200 -0.506 0.000 0.766 235 S HN -0.295 7.916 8.310 -0.083 0.049 0.528 236 L N -0.410 120.607 121.223 -0.342 0.000 2.558 236 L HA 0.032 4.018 4.340 -0.589 0.000 0.225 236 L C -0.121 176.604 176.870 -0.241 0.000 1.128 236 L CA 0.231 54.839 54.840 -0.387 0.000 0.868 236 L CB -0.014 41.870 42.059 -0.293 0.000 1.006 236 L HN -0.918 7.115 8.230 -0.237 0.055 0.454 237 K N -1.836 118.480 120.400 -0.140 0.000 2.350 237 K HA 0.326 4.603 4.320 -0.073 0.000 0.241 237 K C -1.861 174.744 176.600 0.008 0.000 0.994 237 K CA -2.521 53.731 56.287 -0.058 0.000 0.839 237 K CB 0.260 32.742 32.500 -0.029 0.000 1.244 237 K HN -0.931 7.160 8.250 -0.135 0.078 0.443 238 P HA -0.256 4.191 4.420 0.046 0.000 0.218 238 P C 0.778 178.120 177.300 0.070 0.000 1.148 238 P CA 2.389 65.513 63.100 0.039 0.000 0.822 238 P CB -0.103 31.607 31.700 0.016 0.000 0.784 239 E N -3.431 116.807 120.200 0.063 0.000 2.401 239 E HA -0.249 4.297 4.350 0.046 -0.169 0.199 239 E C 1.404 178.073 176.600 0.115 0.000 1.023 239 E CA 1.906 58.345 56.400 0.065 0.000 0.859 239 E CB -1.587 28.138 29.700 0.042 0.000 0.780 239 E HN 0.410 8.772 8.360 0.046 0.026 0.523 240 F N 2.095 122.035 119.950 -0.017 0.000 2.120 240 F HA -0.386 4.134 4.527 -0.012 0.000 0.300 240 F C 1.039 176.843 175.800 0.006 0.000 1.095 240 F CA 2.892 60.887 58.000 -0.007 0.000 1.249 240 F CB 0.129 39.129 39.000 0.000 0.000 0.995 240 F HN -0.488 7.916 8.300 0.260 0.052 0.480 241 V N -2.306 117.627 119.914 0.032 0.000 2.407 241 V HA -0.516 3.519 4.120 -0.142 0.000 0.248 241 V C 1.921 177.981 176.094 -0.057 0.000 1.055 241 V CA 4.030 66.294 62.300 -0.059 0.000 1.049 241 V CB -0.972 30.857 31.823 0.009 0.000 0.662 241 V HN -0.589 7.671 8.190 0.131 0.008 0.455 242 D N -1.103 119.287 120.400 -0.017 0.000 2.144 242 D HA -0.279 4.359 4.640 -0.003 0.000 0.199 242 D C 1.341 177.633 176.300 -0.013 0.000 0.984 242 D CA 3.103 57.098 54.000 -0.008 0.000 0.834 242 D CB -0.419 40.383 40.800 0.004 0.000 0.955 242 D HN -0.441 7.847 8.370 0.005 0.085 0.465 243 I N -2.410 118.131 120.570 -0.050 0.000 2.226 243 I HA -0.516 3.632 4.170 -0.036 0.000 0.245 243 I C 1.727 177.879 176.117 0.059 0.000 1.100 243 I CA 3.689 64.957 61.300 -0.053 0.000 1.374 243 I CB 0.025 37.944 38.000 -0.135 0.000 1.057 243 I HN -0.774 7.403 8.210 -0.056 0.000 0.413 244 I N -1.698 118.825 120.570 -0.079 0.000 2.361 244 I HA -0.438 3.794 4.170 0.104 0.000 0.251 244 I C 1.398 177.609 176.117 0.157 0.000 1.133 244 I CA 3.665 64.974 61.300 0.015 0.000 1.413 244 I CB -0.318 37.571 38.000 -0.186 0.000 1.073 244 I HN -0.638 7.447 8.210 -0.208 0.000 0.424 245 N N -3.664 115.075 118.700 0.064 0.000 2.383 245 N HA 0.004 4.877 4.740 0.038 -0.111 0.192 245 N C 1.059 176.587 175.510 0.030 0.000 1.141 245 N CA 0.925 53.999 53.050 0.040 0.000 0.851 245 N CB 0.701 39.194 38.487 0.011 0.000 0.976 245 N HN -0.485 7.801 8.380 0.021 0.107 0.465 246 S N 0.619 116.365 115.700 0.077 0.000 2.515 246 S HA -0.196 4.299 4.470 0.042 0.000 0.231 246 S C 0.344 174.928 174.600 -0.026 0.000 0.987 246 S CA 3.284 61.520 58.200 0.060 0.000 0.936 246 S CB 0.035 63.329 63.200 0.156 0.000 0.766 246 S HN -0.476 7.751 8.310 0.154 0.175 0.528 247 R N -1.618 118.781 120.500 -0.168 0.000 2.427 247 R HA 0.164 4.402 4.340 -0.170 0.000 0.262 247 R C -0.123 176.091 176.300 -0.143 0.000 0.943 247 R CA -0.800 55.155 56.100 -0.242 0.000 1.081 247 R CB -0.335 29.620 30.300 -0.575 0.000 1.166 247 R HN 0.010 8.120 8.270 -0.182 0.050 0.534 248 N N 0.000 118.651 118.700 -0.082 0.000 1.763 248 N HA 0.000 4.707 4.740 -0.055 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 -0.026 0.000 1.341 248 N HN 0.000 8.270 8.380 -0.067 0.070 0.667