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 1iy8_1_B DATA FIRST_RESID 10 DATA SEQUENCE RFTDRVVLIT GGGSGLGRAT AVRLAAEGAK LSLVDVSSEG LEASKAAVLE DATA SEQUENCE TAPDAEVLTT VADVSDEAQV EAYVTATTER FGRIDGFFNN AGIEGKQNPT DATA SEQUENCE ESFTAAEFDK VVSINLRGVF LGLEKVLKIM REQGSGMVVN TASVGGIRGI DATA SEQUENCE GNQSGYAAAK HGVVGLTRNS AVEYGRYGIR INAIAPGAIW TPMVENSMKQ DATA SEQUENCE LDPENPRKAA EEFIQVNPSK RYGEAPEIAA VVAFLLSDDA SYVNATVVPI DATA SEQUENCE DGGQSAAY 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 10 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 10 R C 0.000 176.018 176.300 -0.470 0.000 0.893 10 R CA 0.000 55.974 56.100 -0.211 0.000 0.921 10 R CB 0.000 30.128 30.300 -0.288 0.000 0.687 11 F N 1.175 121.116 119.950 -0.015 0.000 2.764 11 F HA 0.255 4.783 4.527 0.002 0.000 0.310 11 F C 0.372 176.155 175.800 -0.028 0.000 1.124 11 F CA -0.181 57.803 58.000 -0.027 0.000 1.252 11 F CB 1.316 40.294 39.000 -0.036 0.000 1.010 11 F HN -0.274 8.026 8.300 -0.000 0.000 0.518 12 T N 2.156 116.759 114.554 0.082 0.000 2.831 12 T HA -0.055 4.296 4.350 0.002 0.000 0.291 12 T C 0.418 175.141 174.700 0.038 0.000 0.981 12 T CA 0.654 62.786 62.100 0.054 0.000 1.174 12 T CB 0.011 68.894 68.868 0.027 0.000 0.929 12 T HN 0.334 8.574 8.240 -0.000 0.000 0.532 13 D N 1.029 121.452 120.400 0.038 0.000 3.059 13 D HA -0.158 4.483 4.640 0.002 0.000 0.213 13 D C 0.396 176.703 176.300 0.012 0.000 1.144 13 D CA 1.044 55.058 54.000 0.024 0.000 0.975 13 D CB -0.422 40.393 40.800 0.025 0.000 1.125 13 D HN 0.600 8.970 8.370 -0.000 0.000 0.412 14 R N 0.259 120.781 120.500 0.037 0.000 2.357 14 R HA 0.477 4.818 4.340 0.002 0.000 0.296 14 R C 0.099 176.387 176.300 -0.020 0.000 1.052 14 R CA -0.535 55.592 56.100 0.044 0.000 0.988 14 R CB 1.556 31.936 30.300 0.133 0.000 1.025 14 R HN -0.156 8.114 8.270 -0.000 0.000 0.469 15 V N 4.128 123.999 119.914 -0.072 0.000 2.383 15 V HA 0.213 4.334 4.120 0.002 0.000 0.275 15 V C 0.014 176.048 176.094 -0.099 0.000 1.036 15 V CA -0.523 61.650 62.300 -0.211 0.000 0.889 15 V CB 1.484 33.168 31.823 -0.231 0.000 0.985 15 V HN 0.439 8.629 8.190 -0.000 0.000 0.459 16 V N 6.398 126.236 119.914 -0.128 0.000 2.448 16 V HA 0.454 4.575 4.120 0.002 0.000 0.295 16 V C -0.395 175.702 176.094 0.004 0.000 1.025 16 V CA -0.667 61.616 62.300 -0.027 0.000 0.859 16 V CB 1.799 33.579 31.823 -0.071 0.000 0.988 16 V HN 0.680 8.870 8.190 -0.000 0.000 0.431 17 L N 7.038 128.333 121.223 0.121 0.000 2.282 17 L HA 0.675 5.016 4.340 0.002 0.000 0.288 17 L C -0.639 176.390 176.870 0.264 0.000 1.033 17 L CA 0.268 55.215 54.840 0.180 0.000 0.807 17 L CB 0.917 43.094 42.059 0.196 0.000 1.209 17 L HN 0.556 8.786 8.230 -0.000 0.000 0.423 18 I N 4.516 125.168 120.570 0.136 0.000 2.439 18 I HA 0.337 4.508 4.170 0.002 0.000 0.285 18 I C -0.009 176.074 176.117 -0.058 0.000 1.021 18 I CA -0.576 60.778 61.300 0.090 0.000 1.091 18 I CB 2.053 40.122 38.000 0.117 0.000 1.242 18 I HN 0.690 8.900 8.210 -0.000 0.000 0.439 19 T N 1.177 115.638 114.554 -0.155 0.000 2.922 19 T HA 0.544 4.895 4.350 0.002 0.000 0.285 19 T C 1.026 175.584 174.700 -0.236 0.000 1.005 19 T CA 0.126 62.084 62.100 -0.237 0.000 1.061 19 T CB 1.633 70.360 68.868 -0.234 0.000 1.007 19 T HN 1.063 9.303 8.240 -0.000 0.000 0.502 20 G N 0.890 109.581 108.800 -0.182 0.000 2.198 20 G HA2 -0.165 3.796 3.960 0.002 0.000 0.260 20 G HA3 -0.165 3.796 3.960 0.002 0.000 0.260 20 G C 0.860 175.692 174.900 -0.113 0.000 1.025 20 G CA 0.115 45.125 45.100 -0.150 0.000 0.769 20 G HN 1.468 9.758 8.290 -0.000 0.000 0.507 21 G N -0.237 108.509 108.800 -0.091 0.000 2.956 21 G HA2 0.380 4.341 3.960 0.002 0.000 0.207 21 G HA3 0.380 4.341 3.960 0.002 0.000 0.207 21 G C 1.266 176.148 174.900 -0.029 0.000 1.162 21 G CA 1.001 46.076 45.100 -0.041 0.000 0.796 21 G HN 1.294 9.584 8.290 -0.000 0.000 0.527 22 G N -0.819 107.957 108.800 -0.040 0.000 3.141 22 G HA2 0.410 4.371 3.960 0.002 0.000 0.218 22 G HA3 0.410 4.371 3.960 0.002 0.000 0.218 22 G C 0.257 175.140 174.900 -0.029 0.000 1.170 22 G CA 0.695 45.777 45.100 -0.030 0.000 0.769 22 G HN 0.520 8.810 8.290 -0.000 0.000 0.546 23 S N -2.908 112.774 115.700 -0.030 0.000 2.636 23 S HA 0.531 5.002 4.470 0.002 0.000 0.266 23 S C 0.953 175.539 174.600 -0.024 0.000 1.147 23 S CA 0.682 58.864 58.200 -0.031 0.000 0.815 23 S CB 0.529 63.702 63.200 -0.045 0.000 1.119 23 S HN 1.444 9.754 8.310 -0.000 0.000 0.470 24 G N 1.908 110.691 108.800 -0.028 0.000 2.698 24 G HA2 -0.315 3.646 3.960 0.002 0.000 0.346 24 G HA3 -0.315 3.646 3.960 0.002 0.000 0.346 24 G C 1.059 175.973 174.900 0.023 0.000 1.287 24 G CA 1.040 46.130 45.100 -0.017 0.000 0.990 24 G HN 1.131 9.421 8.290 -0.000 0.000 0.545 25 L N 1.269 122.520 121.223 0.046 0.000 2.083 25 L HA 0.021 4.362 4.340 0.002 0.000 0.209 25 L C 3.324 180.313 176.870 0.198 0.000 1.083 25 L CA 1.714 56.630 54.840 0.126 0.000 0.752 25 L CB -1.132 41.030 42.059 0.171 0.000 0.899 25 L HN 0.665 8.895 8.230 -0.000 0.000 0.433 26 G N -0.100 108.774 108.800 0.123 0.000 2.418 26 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 26 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 26 G C 1.793 176.750 174.900 0.096 0.000 1.158 26 G CA 0.700 45.881 45.100 0.135 0.000 0.771 26 G HN 0.270 8.560 8.290 -0.000 0.000 0.545 27 R N 0.443 120.970 120.500 0.045 0.000 2.062 27 R HA 0.103 4.444 4.340 0.002 0.000 0.229 27 R C 2.882 179.194 176.300 0.020 0.000 1.128 27 R CA 1.357 57.470 56.100 0.022 0.000 0.960 27 R CB -0.398 29.906 30.300 0.008 0.000 0.855 27 R HN 0.257 8.527 8.270 -0.000 0.000 0.432 28 A N 0.076 122.914 122.820 0.029 0.000 1.940 28 A HA -0.142 4.179 4.320 0.002 0.000 0.219 28 A C 2.142 179.720 177.584 -0.010 0.000 1.176 28 A CA 2.075 54.122 52.037 0.016 0.000 0.631 28 A CB -0.867 18.151 19.000 0.029 0.000 0.814 28 A HN 0.463 8.613 8.150 -0.000 0.000 0.446 29 T N 0.113 114.665 114.554 -0.002 0.000 2.821 29 T HA 0.045 4.396 4.350 0.002 0.000 0.267 29 T C 2.218 176.857 174.700 -0.102 0.000 1.046 29 T CA 1.363 63.409 62.100 -0.091 0.000 1.139 29 T CB -0.395 68.388 68.868 -0.141 0.000 0.871 29 T HN 0.599 8.838 8.240 -0.000 0.000 0.454 30 A N 1.059 123.855 122.820 -0.039 0.000 1.902 30 A HA -0.062 4.259 4.320 0.002 0.000 0.217 30 A C 2.571 180.114 177.584 -0.067 0.000 1.181 30 A CA 1.397 53.403 52.037 -0.053 0.000 0.623 30 A CB -1.034 17.958 19.000 -0.014 0.000 0.818 30 A HN 0.353 8.503 8.150 -0.000 0.000 0.443 31 V N 0.111 119.998 119.914 -0.045 0.000 2.295 31 V HA -0.238 3.883 4.120 0.002 0.000 0.246 31 V C 2.692 178.754 176.094 -0.054 0.000 1.049 31 V CA 2.388 64.666 62.300 -0.037 0.000 1.024 31 V CB -0.817 30.995 31.823 -0.018 0.000 0.648 31 V HN 0.671 8.861 8.190 -0.000 0.000 0.447 32 R N 0.555 121.012 120.500 -0.072 0.000 2.081 32 R HA -0.083 4.258 4.340 0.002 0.000 0.235 32 R C 2.037 178.258 176.300 -0.132 0.000 1.131 32 R CA 1.786 57.837 56.100 -0.082 0.000 0.960 32 R CB -0.846 29.402 30.300 -0.086 0.000 0.856 32 R HN 0.482 8.752 8.270 -0.000 0.000 0.436 33 L N -0.109 120.976 121.223 -0.230 0.000 2.093 33 L HA -0.038 4.303 4.340 0.002 0.000 0.208 33 L C 2.497 179.245 176.870 -0.204 0.000 1.085 33 L CA 1.258 55.869 54.840 -0.383 0.000 0.755 33 L CB -0.661 41.088 42.059 -0.516 0.000 0.904 33 L HN 0.341 8.571 8.230 -0.000 0.000 0.435 34 A N 0.173 122.919 122.820 -0.123 0.000 1.902 34 A HA -0.144 4.177 4.320 0.002 0.000 0.217 34 A C 2.530 180.098 177.584 -0.026 0.000 1.181 34 A CA 1.591 53.591 52.037 -0.061 0.000 0.623 34 A CB -0.633 18.343 19.000 -0.041 0.000 0.818 34 A HN 0.386 8.536 8.150 -0.000 0.000 0.443 35 A N -0.299 122.506 122.820 -0.025 0.000 2.019 35 A HA -0.138 4.183 4.320 0.002 0.000 0.219 35 A C 1.717 179.317 177.584 0.027 0.000 1.164 35 A CA 1.464 53.502 52.037 0.001 0.000 0.644 35 A CB -0.379 18.620 19.000 -0.000 0.000 0.805 35 A HN 0.627 8.777 8.150 -0.000 0.000 0.449 36 E N -1.560 118.663 120.200 0.038 0.000 2.465 36 E HA 0.274 4.625 4.350 0.002 0.000 0.191 36 E C 1.005 177.691 176.600 0.143 0.000 1.053 36 E CA 0.261 56.735 56.400 0.124 0.000 0.869 36 E CB -0.051 29.807 29.700 0.263 0.000 0.977 36 E HN 0.731 9.091 8.360 -0.000 0.000 0.483 37 G N 1.238 110.085 108.800 0.078 0.000 2.175 37 G HA2 -0.295 3.666 3.960 0.002 0.000 0.244 37 G HA3 -0.295 3.666 3.960 0.002 0.000 0.244 37 G C 0.452 175.390 174.900 0.064 0.000 0.982 37 G CA -0.017 45.125 45.100 0.070 0.000 0.641 37 G HN 0.456 8.746 8.290 -0.000 0.000 0.527 38 A N -0.025 122.824 122.820 0.047 0.000 2.406 38 A HA 0.620 4.941 4.320 0.002 0.000 0.243 38 A C 0.572 178.111 177.584 -0.075 0.000 1.082 38 A CA 0.538 52.573 52.037 -0.004 0.000 0.786 38 A CB 0.372 19.303 19.000 -0.114 0.000 1.029 38 A HN 0.409 8.559 8.150 -0.000 0.000 0.495 39 K N 0.533 120.837 120.400 -0.160 0.000 2.159 39 K HA 0.625 4.946 4.320 0.002 0.000 0.266 39 K C -1.184 175.171 176.600 -0.408 0.000 0.975 39 K CA -0.080 56.025 56.287 -0.304 0.000 0.865 39 K CB 1.300 33.488 32.500 -0.521 0.000 1.087 39 K HN 0.580 8.830 8.250 -0.000 0.000 0.446 40 L N 0.910 121.962 121.223 -0.285 0.000 2.354 40 L HA 0.425 4.766 4.340 0.002 0.000 0.269 40 L C -0.311 176.565 176.870 0.010 0.000 1.005 40 L CA -0.799 53.946 54.840 -0.158 0.000 0.819 40 L CB 2.131 44.156 42.059 -0.057 0.000 1.311 40 L HN 0.500 8.730 8.230 -0.000 0.000 0.423 41 S N 3.161 118.890 115.700 0.049 0.000 2.733 41 S HA 0.643 5.114 4.470 0.002 0.000 0.307 41 S C -0.895 173.750 174.600 0.075 0.000 1.127 41 S CA -0.551 57.752 58.200 0.171 0.000 1.097 41 S CB 0.349 63.690 63.200 0.236 0.000 1.003 41 S HN 0.447 8.757 8.310 -0.000 0.000 0.477 42 L N 4.679 125.933 121.223 0.052 0.000 2.309 42 L HA 0.734 5.075 4.340 0.002 0.000 0.282 42 L C -0.696 176.149 176.870 -0.042 0.000 1.036 42 L CA -0.967 53.873 54.840 -0.000 0.000 0.806 42 L CB 1.768 43.830 42.059 0.005 0.000 1.220 42 L HN 0.304 8.534 8.230 -0.000 0.000 0.429 43 V N 1.848 121.692 119.914 -0.117 0.000 2.656 43 V HA 0.612 4.733 4.120 0.002 0.000 0.307 43 V C -0.650 175.355 176.094 -0.150 0.000 1.051 43 V CA -0.501 61.689 62.300 -0.184 0.000 0.893 43 V CB 2.185 33.721 31.823 -0.477 0.000 0.999 43 V HN 0.800 8.990 8.190 -0.000 0.000 0.426 44 D N 1.276 121.617 120.400 -0.097 0.000 2.694 44 D HA 0.204 4.845 4.640 0.002 0.000 0.260 44 D C 0.359 176.636 176.300 -0.039 0.000 1.250 44 D CA -0.211 53.746 54.000 -0.071 0.000 0.763 44 D CB 2.783 43.548 40.800 -0.057 0.000 1.311 44 D HN 0.381 8.751 8.370 -0.000 0.000 0.420 45 V N -0.446 119.450 119.914 -0.030 0.000 3.129 45 V HA 0.157 4.278 4.120 0.002 0.000 0.259 45 V C 0.983 177.068 176.094 -0.014 0.000 1.116 45 V CA 0.683 62.975 62.300 -0.014 0.000 1.127 45 V CB 0.058 31.875 31.823 -0.010 0.000 0.742 45 V HN 0.318 8.508 8.190 -0.000 0.000 0.474 46 S N 1.274 116.961 115.700 -0.021 0.000 2.410 46 S HA 0.353 4.824 4.470 0.002 0.000 0.304 46 S C 1.384 175.975 174.600 -0.016 0.000 1.095 46 S CA 0.117 58.306 58.200 -0.018 0.000 1.089 46 S CB 1.088 64.274 63.200 -0.023 0.000 0.968 46 S HN 0.758 9.068 8.310 -0.000 0.000 0.480 47 S N 3.633 119.327 115.700 -0.010 0.000 2.423 47 S HA -0.106 4.365 4.470 0.002 0.000 0.231 47 S C 1.538 176.133 174.600 -0.008 0.000 1.014 47 S CA 0.942 59.137 58.200 -0.007 0.000 0.965 47 S CB -0.431 62.766 63.200 -0.004 0.000 0.785 47 S HN 0.861 9.171 8.310 -0.000 0.000 0.495 48 E N 1.658 121.852 120.200 -0.010 0.000 2.072 48 E HA -0.055 4.296 4.350 0.002 0.000 0.191 48 E C 2.169 178.762 176.600 -0.012 0.000 0.985 48 E CA 1.084 57.478 56.400 -0.010 0.000 0.801 48 E CB -0.794 28.899 29.700 -0.012 0.000 0.750 48 E HN 0.647 9.007 8.360 -0.000 0.000 0.452 49 G N 1.181 109.971 108.800 -0.016 0.000 2.402 49 G HA2 -0.220 3.741 3.960 0.002 0.000 0.216 49 G HA3 -0.220 3.741 3.960 0.002 0.000 0.216 49 G C 1.592 176.484 174.900 -0.014 0.000 1.162 49 G CA 0.571 45.660 45.100 -0.018 0.000 0.777 49 G HN 0.191 8.481 8.290 -0.000 0.000 0.539 50 L N 0.103 121.318 121.223 -0.014 0.000 2.046 50 L HA -0.078 4.263 4.340 0.002 0.000 0.208 50 L C 2.765 179.633 176.870 -0.002 0.000 1.077 50 L CA 1.564 56.399 54.840 -0.009 0.000 0.747 50 L CB -0.349 41.705 42.059 -0.008 0.000 0.896 50 L HN 0.341 8.571 8.230 -0.000 0.000 0.432 51 E N 0.263 120.461 120.200 -0.003 0.000 2.077 51 E HA -0.255 4.096 4.350 0.002 0.000 0.193 51 E C 2.200 178.800 176.600 0.000 0.000 0.989 51 E CA 1.239 57.639 56.400 0.000 0.000 0.800 51 E CB 0.010 29.709 29.700 -0.001 0.000 0.746 51 E HN 0.476 8.836 8.360 -0.000 0.000 0.452 52 A N 0.244 123.063 122.820 -0.003 0.000 1.930 52 A HA -0.104 4.217 4.320 0.002 0.000 0.217 52 A C 2.327 179.911 177.584 -0.001 0.000 1.175 52 A CA 1.538 53.573 52.037 -0.002 0.000 0.627 52 A CB -0.349 18.648 19.000 -0.006 0.000 0.815 52 A HN 0.238 8.388 8.150 -0.000 0.000 0.443 53 S N -0.581 115.118 115.700 -0.002 0.000 2.383 53 S HA -0.125 4.346 4.470 0.002 0.000 0.227 53 S C 1.987 176.589 174.600 0.004 0.000 1.026 53 S CA 1.554 59.754 58.200 -0.000 0.000 0.981 53 S CB -0.181 63.018 63.200 -0.002 0.000 0.818 53 S HN 0.691 9.001 8.310 -0.000 0.000 0.472 54 K N 1.473 121.877 120.400 0.007 0.000 2.057 54 K HA -0.012 4.309 4.320 0.002 0.000 0.206 54 K C 2.152 178.758 176.600 0.010 0.000 1.050 54 K CA 1.124 57.418 56.287 0.012 0.000 0.935 54 K CB -0.320 32.190 32.500 0.016 0.000 0.715 54 K HN 0.281 8.531 8.250 -0.000 0.000 0.439 55 A N 0.952 123.777 122.820 0.007 0.000 1.933 55 A HA -0.070 4.251 4.320 0.002 0.000 0.218 55 A C 2.310 179.898 177.584 0.006 0.000 1.175 55 A CA 1.737 53.778 52.037 0.007 0.000 0.628 55 A CB -0.764 18.239 19.000 0.005 0.000 0.814 55 A HN 0.475 8.625 8.150 -0.000 0.000 0.444 56 A N -0.606 122.217 122.820 0.004 0.000 1.930 56 A HA 0.028 4.349 4.320 0.002 0.000 0.217 56 A C 2.225 179.810 177.584 0.003 0.000 1.175 56 A CA 1.704 53.744 52.037 0.004 0.000 0.627 56 A CB -0.845 18.157 19.000 0.003 0.000 0.815 56 A HN 0.352 8.502 8.150 -0.000 0.000 0.443 57 V N 0.270 120.186 119.914 0.002 0.000 2.295 57 V HA -0.239 3.882 4.120 0.002 0.000 0.246 57 V C 2.496 178.592 176.094 0.004 0.000 1.049 57 V CA 1.911 64.211 62.300 -0.000 0.000 1.024 57 V CB -0.706 31.117 31.823 0.000 0.000 0.648 57 V HN 0.583 8.773 8.190 -0.000 0.000 0.447 58 L N -0.348 120.880 121.223 0.009 0.000 2.265 58 L HA -0.164 4.177 4.340 0.002 0.000 0.215 58 L C 2.435 179.310 176.870 0.009 0.000 1.117 58 L CA 1.296 56.142 54.840 0.011 0.000 0.782 58 L CB -0.628 41.438 42.059 0.013 0.000 0.914 58 L HN 0.449 8.679 8.230 -0.000 0.000 0.441 59 E N -0.552 119.652 120.200 0.007 0.000 2.152 59 E HA -0.130 4.221 4.350 0.002 0.000 0.192 59 E C 1.944 178.548 176.600 0.007 0.000 0.983 59 E CA 1.436 57.841 56.400 0.007 0.000 0.818 59 E CB 0.098 29.802 29.700 0.006 0.000 0.758 59 E HN 0.405 8.765 8.360 -0.000 0.000 0.467 60 T N -0.201 114.356 114.554 0.005 0.000 3.010 60 T HA 0.171 4.522 4.350 0.002 0.000 0.252 60 T C 0.536 175.239 174.700 0.006 0.000 1.047 60 T CA 0.760 62.863 62.100 0.005 0.000 1.140 60 T CB 0.476 69.345 68.868 0.000 0.000 0.885 60 T HN 0.059 8.299 8.240 -0.000 0.000 0.464 61 A N 1.660 124.484 122.820 0.006 0.000 2.815 61 A HA 0.617 4.938 4.320 0.002 0.000 0.318 61 A C -2.181 175.411 177.584 0.013 0.000 1.186 61 A CA -1.258 50.785 52.037 0.010 0.000 0.754 61 A CB 0.936 19.941 19.000 0.007 0.000 1.151 61 A HN 0.021 8.171 8.150 -0.000 0.000 0.452 62 P HA -0.162 4.258 4.420 -0.000 0.000 0.217 62 P C 0.463 177.775 177.300 0.019 0.000 1.148 62 P CA 1.373 64.483 63.100 0.015 0.000 0.828 62 P CB 0.312 32.020 31.700 0.014 0.000 0.783 63 D N -1.375 119.038 120.400 0.021 0.000 2.339 63 D HA 0.133 4.774 4.640 0.002 0.000 0.217 63 D C 0.757 177.078 176.300 0.034 0.000 1.050 63 D CA 0.088 54.104 54.000 0.027 0.000 0.856 63 D CB -0.147 40.668 40.800 0.026 0.000 0.922 63 D HN 0.091 8.461 8.370 -0.000 0.000 0.518 64 A N 1.195 124.033 122.820 0.031 0.000 2.498 64 A HA 0.053 4.373 4.320 0.002 0.000 0.239 64 A C 0.352 177.972 177.584 0.059 0.000 1.068 64 A CA 0.136 52.194 52.037 0.035 0.000 0.766 64 A CB 0.286 19.298 19.000 0.020 0.000 1.003 64 A HN 0.008 8.158 8.150 -0.000 0.000 0.497 65 E N 1.180 121.433 120.200 0.088 0.000 2.081 65 E HA 0.440 4.791 4.350 0.002 0.000 0.281 65 E C -1.217 175.503 176.600 0.199 0.000 0.986 65 E CA -0.375 56.123 56.400 0.164 0.000 0.796 65 E CB 1.411 31.272 29.700 0.269 0.000 1.085 65 E HN 0.355 8.715 8.360 -0.000 0.000 0.398 66 V N 4.628 124.645 119.914 0.172 0.000 2.483 66 V HA 0.298 4.419 4.120 0.002 0.000 0.297 66 V C -0.621 175.573 176.094 0.166 0.000 1.027 66 V CA -0.890 61.507 62.300 0.161 0.000 0.855 66 V CB 1.456 33.326 31.823 0.078 0.000 0.995 66 V HN 0.498 8.688 8.190 -0.000 0.000 0.424 67 L N 5.281 126.640 121.223 0.228 0.000 2.325 67 L HA 0.908 5.249 4.340 0.002 0.000 0.278 67 L C 0.289 177.220 176.870 0.101 0.000 1.023 67 L CA 0.410 55.335 54.840 0.141 0.000 0.811 67 L CB 2.160 44.315 42.059 0.160 0.000 1.249 67 L HN 0.881 9.111 8.230 -0.000 0.000 0.431 68 T N 0.234 114.821 114.554 0.054 0.000 2.841 68 T HA 0.801 5.152 4.350 0.002 0.000 0.283 68 T C -0.444 174.272 174.700 0.026 0.000 1.000 68 T CA -0.604 61.516 62.100 0.034 0.000 0.977 68 T CB 1.537 70.417 68.868 0.020 0.000 0.979 68 T HN 0.616 8.856 8.240 -0.000 0.000 0.446 69 T N 1.998 116.564 114.554 0.020 0.000 2.971 69 T HA 0.485 4.836 4.350 0.002 0.000 0.304 69 T C -0.488 174.221 174.700 0.014 0.000 1.038 69 T CA -0.642 61.474 62.100 0.027 0.000 1.007 69 T CB 1.654 70.559 68.868 0.062 0.000 1.055 69 T HN 0.667 8.907 8.240 -0.000 0.000 0.451 70 V N 2.795 122.721 119.914 0.020 0.000 2.406 70 V HA 0.800 4.921 4.120 0.002 0.000 0.272 70 V C 0.197 176.314 176.094 0.038 0.000 1.043 70 V CA -0.158 62.151 62.300 0.015 0.000 0.915 70 V CB 0.577 32.407 31.823 0.011 0.000 0.988 70 V HN 1.150 9.340 8.190 -0.000 0.000 0.466 71 A N 3.898 126.741 122.820 0.039 0.000 2.594 71 A HA 0.616 4.937 4.320 0.002 0.000 0.296 71 A C -1.407 176.218 177.584 0.069 0.000 1.061 71 A CA -0.634 51.454 52.037 0.085 0.000 0.689 71 A CB 1.718 20.838 19.000 0.200 0.000 1.280 71 A HN 0.644 8.794 8.150 -0.000 0.000 0.406 72 D N 1.893 122.340 120.400 0.078 0.000 2.373 72 D HA 0.325 4.966 4.640 0.002 0.000 0.227 72 D C 1.426 177.785 176.300 0.098 0.000 1.091 72 D CA 0.210 54.247 54.000 0.061 0.000 0.840 72 D CB 1.513 42.339 40.800 0.042 0.000 1.060 72 D HN 0.776 9.146 8.370 -0.000 0.000 0.502 73 V N 2.333 122.308 119.914 0.102 0.000 2.867 73 V HA -0.156 3.965 4.120 0.002 0.000 0.260 73 V C 1.604 177.761 176.094 0.105 0.000 1.099 73 V CA 1.941 64.331 62.300 0.149 0.000 1.122 73 V CB -1.021 30.872 31.823 0.117 0.000 0.708 73 V HN 0.522 8.712 8.190 -0.000 0.000 0.490 74 S N -0.761 114.981 115.700 0.069 0.000 2.562 74 S HA 0.029 4.500 4.470 0.002 0.000 0.221 74 S C 0.759 175.392 174.600 0.055 0.000 0.975 74 S CA 0.447 58.681 58.200 0.058 0.000 0.918 74 S CB -0.388 62.835 63.200 0.038 0.000 0.772 74 S HN 0.690 9.000 8.310 -0.000 0.000 0.531 75 D N 1.808 122.240 120.400 0.054 0.000 2.392 75 D HA 0.217 4.858 4.640 0.002 0.000 0.228 75 D C 0.809 177.125 176.300 0.028 0.000 1.074 75 D CA -0.382 53.642 54.000 0.039 0.000 0.838 75 D CB 1.492 42.313 40.800 0.035 0.000 1.067 75 D HN 0.342 8.712 8.370 -0.000 0.000 0.511 76 E N 3.217 123.429 120.200 0.020 0.000 2.097 76 E HA -0.271 4.080 4.350 0.002 0.000 0.196 76 E C 1.515 178.090 176.600 -0.041 0.000 1.000 76 E CA 1.487 57.882 56.400 -0.009 0.000 0.804 76 E CB 0.164 29.868 29.700 0.008 0.000 0.740 76 E HN 0.540 8.900 8.360 -0.000 0.000 0.454 77 A N 0.592 123.398 122.820 -0.022 0.000 1.933 77 A HA -0.222 4.099 4.320 0.002 0.000 0.218 77 A C 2.057 179.618 177.584 -0.039 0.000 1.175 77 A CA 1.613 53.631 52.037 -0.032 0.000 0.628 77 A CB -0.435 18.557 19.000 -0.014 0.000 0.814 77 A HN 0.371 8.521 8.150 -0.000 0.000 0.444 78 Q N -0.626 119.167 119.800 -0.012 0.000 2.245 78 Q HA -0.032 4.309 4.340 0.002 0.000 0.201 78 Q C 2.024 178.016 176.000 -0.014 0.000 0.955 78 Q CA 1.146 56.960 55.803 0.018 0.000 0.870 78 Q CB -0.145 28.631 28.738 0.063 0.000 0.945 78 Q HN 0.519 8.789 8.270 -0.000 0.000 0.461 79 V N 1.306 121.153 119.914 -0.113 0.000 2.323 79 V HA -0.227 3.894 4.120 0.002 0.000 0.244 79 V C 1.888 177.597 176.094 -0.641 0.000 1.041 79 V CA 1.769 63.801 62.300 -0.448 0.000 1.025 79 V CB -0.416 31.239 31.823 -0.280 0.000 0.656 79 V HN 0.343 8.533 8.190 -0.000 0.000 0.451 80 E N 0.488 120.491 120.200 -0.329 0.000 2.118 80 E HA -0.216 4.135 4.350 0.002 0.000 0.195 80 E C 2.314 178.781 176.600 -0.221 0.000 0.992 80 E CA 1.305 57.544 56.400 -0.268 0.000 0.804 80 E CB -0.312 29.294 29.700 -0.156 0.000 0.741 80 E HN 0.608 8.968 8.360 -0.000 0.000 0.458 81 A N 1.516 124.246 122.820 -0.151 0.000 1.877 81 A HA -0.210 4.111 4.320 0.002 0.000 0.216 81 A C 2.144 179.727 177.584 -0.003 0.000 1.186 81 A CA 1.694 53.697 52.037 -0.057 0.000 0.620 81 A CB -0.862 18.136 19.000 -0.005 0.000 0.822 81 A HN 0.512 8.662 8.150 -0.000 0.000 0.443 82 Y N -0.867 119.419 120.300 -0.023 0.000 2.373 82 Y HA 0.082 4.633 4.550 0.002 0.000 0.293 82 Y C 1.818 177.699 175.900 -0.031 0.000 1.129 82 Y CA 0.796 58.887 58.100 -0.015 0.000 1.226 82 Y CB -1.058 37.403 38.460 0.001 0.000 1.000 82 Y HN -0.014 8.266 8.280 -0.000 0.000 0.549 83 V N 0.542 120.347 119.914 -0.182 0.000 2.379 83 V HA -0.238 3.883 4.120 0.002 0.000 0.245 83 V C 2.317 178.376 176.094 -0.059 0.000 1.044 83 V CA 2.401 64.616 62.300 -0.142 0.000 1.036 83 V CB -1.044 30.580 31.823 -0.332 0.000 0.664 83 V HN 0.523 8.713 8.190 -0.000 0.000 0.453 84 T N 0.575 115.083 114.554 -0.076 0.000 2.746 84 T HA -0.159 4.192 4.350 0.002 0.000 0.267 84 T C 2.075 176.767 174.700 -0.013 0.000 1.039 84 T CA 1.609 63.681 62.100 -0.047 0.000 1.142 84 T CB -0.435 68.401 68.868 -0.053 0.000 0.866 84 T HN 0.552 8.792 8.240 -0.000 0.000 0.444 85 A N 1.311 124.139 122.820 0.013 0.000 1.940 85 A HA -0.143 4.178 4.320 0.002 0.000 0.219 85 A C 2.546 180.145 177.584 0.026 0.000 1.176 85 A CA 2.119 54.167 52.037 0.018 0.000 0.631 85 A CB -1.206 17.824 19.000 0.049 0.000 0.814 85 A HN 0.487 8.637 8.150 -0.000 0.000 0.446 86 T N 0.081 114.687 114.554 0.086 0.000 2.737 86 T HA -0.129 4.222 4.350 0.002 0.000 0.265 86 T C 2.194 176.979 174.700 0.142 0.000 1.038 86 T CA 2.150 64.349 62.100 0.165 0.000 1.144 86 T CB -0.700 68.281 68.868 0.189 0.000 0.866 86 T HN 0.816 9.056 8.240 -0.000 0.000 0.434 87 T N 0.998 115.592 114.554 0.066 0.000 2.904 87 T HA 0.005 4.356 4.350 0.002 0.000 0.267 87 T C 1.731 176.437 174.700 0.010 0.000 1.059 87 T CA 0.874 63.001 62.100 0.045 0.000 1.137 87 T CB -0.294 68.576 68.868 0.003 0.000 0.879 87 T HN 0.440 8.680 8.240 -0.000 0.000 0.467 88 E N 0.709 120.895 120.200 -0.023 0.000 2.152 88 E HA -0.044 4.307 4.350 0.002 0.000 0.192 88 E C 2.396 178.934 176.600 -0.104 0.000 0.983 88 E CA 0.703 57.072 56.400 -0.051 0.000 0.818 88 E CB -0.056 29.613 29.700 -0.052 0.000 0.758 88 E HN 0.367 8.727 8.360 -0.000 0.000 0.467 89 R N 0.213 120.604 120.500 -0.182 0.000 2.080 89 R HA -0.026 4.315 4.340 0.002 0.000 0.222 89 R C 1.322 177.317 176.300 -0.508 0.000 1.107 89 R CA 1.322 57.166 56.100 -0.428 0.000 0.980 89 R CB -0.116 29.768 30.300 -0.693 0.000 0.879 89 R HN 0.057 8.327 8.270 -0.000 0.000 0.439 90 F N -1.235 118.719 119.950 0.005 0.000 2.717 90 F HA 0.414 4.942 4.527 0.002 0.000 0.297 90 F C 1.551 177.353 175.800 0.003 0.000 1.113 90 F CA 0.354 58.359 58.000 0.008 0.000 1.319 90 F CB 0.635 39.643 39.000 0.014 0.000 1.097 90 F HN 0.289 8.589 8.300 -0.000 0.000 0.595 91 G N 1.386 110.269 108.800 0.138 0.000 2.184 91 G HA2 -0.301 3.660 3.960 0.002 0.000 0.264 91 G HA3 -0.301 3.660 3.960 0.002 0.000 0.264 91 G C 0.378 175.320 174.900 0.071 0.000 0.975 91 G CA 0.432 45.580 45.100 0.079 0.000 0.642 91 G HN 0.590 8.880 8.290 -0.000 0.000 0.536 92 R N -1.644 118.914 120.500 0.097 0.000 2.780 92 R HA 0.693 5.034 4.340 0.002 0.000 0.280 92 R C -1.708 174.623 176.300 0.051 0.000 1.016 92 R CA -1.169 54.962 56.100 0.053 0.000 0.854 92 R CB 0.590 30.914 30.300 0.041 0.000 1.293 92 R HN 0.386 8.656 8.270 -0.000 0.000 0.483 93 I N 1.495 122.073 120.570 0.015 0.000 2.503 93 I HA 0.233 4.404 4.170 0.002 0.000 0.282 93 I C -0.383 175.741 176.117 0.013 0.000 1.059 93 I CA -0.691 60.612 61.300 0.005 0.000 1.081 93 I CB 2.075 40.053 38.000 -0.036 0.000 1.210 93 I HN 0.670 8.880 8.210 -0.000 0.000 0.450 94 D N 4.169 124.586 120.400 0.028 0.000 2.262 94 D HA 0.116 4.757 4.640 0.002 0.000 0.212 94 D C 0.916 177.267 176.300 0.085 0.000 0.964 94 D CA 0.696 54.724 54.000 0.046 0.000 0.875 94 D CB 0.917 41.745 40.800 0.046 0.000 0.996 94 D HN 0.619 8.989 8.370 -0.000 0.000 0.497 95 G N 0.005 108.873 108.800 0.113 0.000 2.571 95 G HA2 0.461 4.422 3.960 0.002 0.000 0.304 95 G HA3 0.461 4.422 3.960 0.002 0.000 0.304 95 G C -1.901 173.144 174.900 0.241 0.000 1.314 95 G CA -0.423 44.773 45.100 0.161 0.000 0.975 95 G HN -0.047 8.243 8.290 -0.000 0.000 0.485 96 F N 2.589 122.574 119.950 0.059 0.000 2.579 96 F HA 0.633 5.161 4.527 0.002 0.000 0.325 96 F C -1.985 173.910 175.800 0.158 0.000 1.162 96 F CA -2.634 55.415 58.000 0.081 0.000 0.946 96 F CB 1.804 40.834 39.000 0.050 0.000 1.211 96 F HN 0.306 8.606 8.300 -0.000 0.000 0.447 97 F N 7.128 126.962 119.950 -0.193 0.000 2.303 97 F HA 0.397 4.924 4.527 0.001 0.000 0.368 97 F C -0.015 175.438 175.800 -0.579 0.000 1.105 97 F CA -1.104 56.702 58.000 -0.325 0.000 1.153 97 F CB 0.026 38.932 39.000 -0.156 0.000 1.362 97 F HN 0.421 8.721 8.300 -0.000 0.000 0.511 98 N N 4.318 122.485 118.700 -0.887 0.000 2.739 98 N HA -0.004 4.737 4.740 0.002 0.000 0.266 98 N C 0.502 175.632 175.510 -0.633 0.000 1.168 98 N CA 0.297 52.800 53.050 -0.911 0.000 1.055 98 N CB -0.201 37.799 38.487 -0.811 0.000 1.393 98 N HN 0.759 9.139 8.380 -0.000 0.000 0.514 99 N N 1.178 119.444 118.700 -0.722 0.000 2.257 99 N HA 0.169 4.910 4.740 0.002 0.000 0.200 99 N C -0.037 175.223 175.510 -0.417 0.000 1.163 99 N CA -0.249 52.341 53.050 -0.766 0.000 0.891 99 N CB 0.319 37.888 38.487 -1.531 0.000 1.067 99 N HN 0.310 8.690 8.380 -0.000 0.000 0.497 100 A N -0.073 122.569 122.820 -0.297 0.000 2.561 100 A HA 0.514 4.835 4.320 0.002 0.000 0.234 100 A C 0.663 178.172 177.584 -0.125 0.000 1.055 100 A CA 0.809 52.739 52.037 -0.177 0.000 0.756 100 A CB -0.456 18.469 19.000 -0.125 0.000 0.986 100 A HN 0.448 8.598 8.150 -0.000 0.000 0.505 101 G N 0.139 108.892 108.800 -0.079 0.000 2.489 101 G HA2 0.559 4.520 3.960 0.002 0.000 0.291 101 G HA3 0.559 4.520 3.960 0.002 0.000 0.291 101 G C -0.875 174.034 174.900 0.015 0.000 1.487 101 G CA -0.137 44.944 45.100 -0.031 0.000 0.795 101 G HN 1.624 9.914 8.290 -0.000 0.000 0.513 102 I N -2.343 118.265 120.570 0.064 0.000 3.042 102 I HA 0.726 4.897 4.170 0.002 0.000 0.310 102 I C 0.716 176.938 176.117 0.176 0.000 1.117 102 I CA -0.998 60.346 61.300 0.073 0.000 1.003 102 I CB 2.715 40.738 38.000 0.038 0.000 1.228 102 I HN 0.717 8.927 8.210 -0.000 0.000 0.443 103 E N 2.605 122.848 120.200 0.073 0.000 2.057 103 E HA 0.342 4.693 4.350 0.002 0.000 0.190 103 E C 0.776 177.435 176.600 0.099 0.000 0.969 103 E CA 0.885 57.279 56.400 -0.010 0.000 0.812 103 E CB 0.121 29.709 29.700 -0.188 0.000 0.777 103 E HN 1.141 9.501 8.360 -0.000 0.000 0.455 104 G N 1.100 109.939 108.800 0.064 0.000 2.675 104 G HA2 -0.133 3.828 3.960 0.002 0.000 0.686 104 G HA3 -0.133 3.828 3.960 0.002 0.000 0.686 104 G C -1.193 173.713 174.900 0.010 0.000 1.215 104 G CA -0.412 44.741 45.100 0.090 0.000 0.777 104 G HN 0.067 8.357 8.290 -0.000 0.000 0.638 105 K N 1.514 121.852 120.400 -0.104 0.000 2.379 105 K HA 0.168 4.489 4.320 0.002 0.000 0.284 105 K C 1.054 177.567 176.600 -0.146 0.000 1.044 105 K CA -0.020 56.177 56.287 -0.150 0.000 0.974 105 K CB 0.778 33.153 32.500 -0.209 0.000 0.962 105 K HN 0.661 8.911 8.250 -0.000 0.000 0.474 106 Q N 2.150 121.929 119.800 -0.035 0.000 2.337 106 Q HA 0.125 4.466 4.340 0.002 0.000 0.270 106 Q C -0.233 175.790 176.000 0.038 0.000 1.002 106 Q CA 0.443 56.279 55.803 0.056 0.000 0.888 106 Q CB 0.545 29.302 28.738 0.032 0.000 1.222 106 Q HN 0.399 8.669 8.270 -0.000 0.000 0.400 107 N N 1.865 120.662 118.700 0.161 0.000 3.340 107 N HA 0.240 4.981 4.740 0.002 0.000 0.234 107 N C -2.897 172.760 175.510 0.246 0.000 1.196 107 N CA -1.168 51.967 53.050 0.142 0.000 0.958 107 N CB 1.745 40.258 38.487 0.043 0.000 1.608 107 N HN 0.187 8.567 8.380 -0.000 0.000 0.515 108 P HA 0.169 4.589 4.420 -0.000 0.000 0.271 108 P C 0.719 178.115 177.300 0.159 0.000 1.233 108 P CA 0.013 63.189 63.100 0.127 0.000 0.789 108 P CB 0.513 32.260 31.700 0.077 0.000 0.951 109 T N 0.331 114.944 114.554 0.098 0.000 2.653 109 T HA -0.242 4.109 4.350 0.002 0.000 0.268 109 T C 1.426 176.177 174.700 0.085 0.000 1.035 109 T CA 2.013 64.155 62.100 0.070 0.000 1.154 109 T CB -0.721 68.146 68.868 -0.003 0.000 0.862 109 T HN 0.672 8.912 8.240 -0.000 0.000 0.441 110 E N 0.811 121.046 120.200 0.059 0.000 2.409 110 E HA -0.035 4.316 4.350 0.002 0.000 0.198 110 E C 1.300 177.937 176.600 0.060 0.000 1.024 110 E CA 1.045 57.471 56.400 0.044 0.000 0.861 110 E CB -0.073 29.643 29.700 0.026 0.000 0.788 110 E HN 0.330 8.690 8.360 -0.000 0.000 0.521 111 S N -0.566 115.189 115.700 0.092 0.000 2.701 111 S HA 0.171 4.642 4.470 0.002 0.000 0.242 111 S C 0.486 175.144 174.600 0.096 0.000 1.025 111 S CA -0.701 57.542 58.200 0.073 0.000 1.016 111 S CB -0.095 63.133 63.200 0.046 0.000 0.977 111 S HN 0.275 8.585 8.310 -0.000 0.000 0.546 112 F N 4.086 124.051 119.950 0.025 0.000 2.234 112 F HA -0.012 4.516 4.527 0.001 0.000 0.299 112 F C 1.124 176.960 175.800 0.060 0.000 1.087 112 F CA 1.768 59.799 58.000 0.051 0.000 1.340 112 F CB -0.048 38.999 39.000 0.078 0.000 1.031 112 F HN 0.320 8.620 8.300 -0.000 0.000 0.500 113 T N -3.220 111.438 114.554 0.173 0.000 0.541 113 T HA -0.162 4.189 4.350 0.002 0.000 0.774 113 T C 0.420 175.246 174.700 0.210 0.000 0.992 113 T CA -0.204 61.961 62.100 0.109 0.000 4.077 113 T CB -1.333 67.539 68.868 0.007 0.000 2.303 113 T HN 0.706 8.946 8.240 -0.000 0.000 0.398 114 A N 3.264 126.169 122.820 0.141 0.000 1.930 114 A HA 0.396 4.717 4.320 0.002 0.000 0.217 114 A C 2.762 180.472 177.584 0.211 0.000 1.175 114 A CA 2.210 54.349 52.037 0.170 0.000 0.627 114 A CB -1.274 17.777 19.000 0.085 0.000 0.815 114 A HN 2.215 10.365 8.150 -0.000 0.000 0.443 115 A N -0.213 122.685 122.820 0.129 0.000 1.877 115 A HA -0.175 4.146 4.320 0.002 0.000 0.216 115 A C 1.992 179.645 177.584 0.115 0.000 1.186 115 A CA 2.147 54.243 52.037 0.098 0.000 0.620 115 A CB -0.485 18.542 19.000 0.045 0.000 0.822 115 A HN 0.517 8.667 8.150 -0.000 0.000 0.443 116 E N -1.058 119.203 120.200 0.101 0.000 2.106 116 E HA -0.125 4.226 4.350 0.002 0.000 0.192 116 E C 1.611 178.405 176.600 0.322 0.000 0.984 116 E CA 1.119 57.564 56.400 0.075 0.000 0.806 116 E CB -0.420 29.139 29.700 -0.235 0.000 0.750 116 E HN 0.549 8.909 8.360 -0.000 0.000 0.458 117 F N 1.236 121.404 119.950 0.364 0.000 2.102 117 F HA -0.188 4.340 4.527 0.001 0.000 0.298 117 F C 1.638 177.539 175.800 0.168 0.000 1.105 117 F CA 1.971 60.179 58.000 0.347 0.000 1.239 117 F CB -0.201 38.935 39.000 0.227 0.000 0.991 117 F HN 0.025 8.325 8.300 -0.000 0.000 0.474 118 D N 0.260 120.813 120.400 0.256 0.000 2.144 118 D HA -0.195 4.446 4.640 0.002 0.000 0.199 118 D C 2.185 178.499 176.300 0.022 0.000 0.984 118 D CA 1.222 55.288 54.000 0.111 0.000 0.834 118 D CB -0.411 40.474 40.800 0.142 0.000 0.955 118 D HN 0.346 8.716 8.370 -0.000 0.000 0.465 119 K N 0.760 121.189 120.400 0.049 0.000 2.002 119 K HA -0.103 4.218 4.320 0.002 0.000 0.209 119 K C 1.965 178.566 176.600 0.001 0.000 1.048 119 K CA 0.926 57.229 56.287 0.026 0.000 0.930 119 K CB -0.004 32.517 32.500 0.036 0.000 0.714 119 K HN -0.070 8.180 8.250 -0.000 0.000 0.438 120 V N 0.949 120.866 119.914 0.004 0.000 2.343 120 V HA -0.206 3.915 4.120 0.002 0.000 0.247 120 V C 2.353 178.381 176.094 -0.111 0.000 1.051 120 V CA 1.424 63.715 62.300 -0.014 0.000 1.036 120 V CB -0.143 31.713 31.823 0.057 0.000 0.654 120 V HN 0.168 8.358 8.190 -0.000 0.000 0.451 121 V N 1.055 120.834 119.914 -0.224 0.000 2.427 121 V HA -0.219 3.902 4.120 0.002 0.000 0.248 121 V C 2.746 178.775 176.094 -0.108 0.000 1.051 121 V CA 2.171 64.327 62.300 -0.240 0.000 1.048 121 V CB -0.726 30.882 31.823 -0.358 0.000 0.666 121 V HN 0.779 8.969 8.190 -0.000 0.000 0.456 122 S N 0.004 115.667 115.700 -0.062 0.000 2.382 122 S HA -0.137 4.334 4.470 0.002 0.000 0.228 122 S C 1.900 176.499 174.600 -0.001 0.000 1.027 122 S CA 1.749 59.940 58.200 -0.015 0.000 0.991 122 S CB -0.473 62.729 63.200 0.003 0.000 0.823 122 S HN 0.553 8.863 8.310 -0.000 0.000 0.469 123 I N 1.744 122.306 120.570 -0.013 0.000 2.364 123 I HA -0.012 4.159 4.170 0.002 0.000 0.241 123 I C 2.217 178.321 176.117 -0.022 0.000 1.082 123 I CA 0.890 62.187 61.300 -0.006 0.000 1.401 123 I CB -0.466 37.531 38.000 -0.005 0.000 1.126 123 I HN 0.230 8.440 8.210 -0.000 0.000 0.429 124 N N 0.702 119.372 118.700 -0.050 0.000 2.188 124 N HA -0.126 4.615 4.740 0.002 0.000 0.184 124 N C 1.505 176.966 175.510 -0.081 0.000 1.018 124 N CA 1.161 54.160 53.050 -0.087 0.000 0.858 124 N CB -0.071 38.332 38.487 -0.139 0.000 0.989 124 N HN 0.193 8.573 8.380 -0.000 0.000 0.426 125 L N 0.059 121.243 121.223 -0.064 0.000 2.356 125 L HA 0.278 4.619 4.340 0.002 0.000 0.193 125 L C 2.091 178.987 176.870 0.042 0.000 1.087 125 L CA 0.979 55.800 54.840 -0.032 0.000 0.817 125 L CB -0.571 41.448 42.059 -0.066 0.000 1.035 125 L HN -0.120 8.110 8.230 -0.000 0.000 0.482 126 R N -0.410 120.115 120.500 0.041 0.000 2.091 126 R HA -0.128 4.213 4.340 0.002 0.000 0.238 126 R C 2.025 178.423 176.300 0.162 0.000 1.136 126 R CA 1.530 57.701 56.100 0.119 0.000 0.959 126 R CB -0.706 29.639 30.300 0.076 0.000 0.856 126 R HN 0.556 8.826 8.270 -0.000 0.000 0.437 127 G N -0.115 108.741 108.800 0.093 0.000 2.440 127 G HA2 -0.217 3.744 3.960 0.002 0.000 0.218 127 G HA3 -0.217 3.744 3.960 0.002 0.000 0.218 127 G C 1.382 176.347 174.900 0.108 0.000 1.154 127 G CA 0.883 46.041 45.100 0.095 0.000 0.767 127 G HN 0.233 8.523 8.290 -0.000 0.000 0.552 128 V N 0.402 120.365 119.914 0.080 0.000 2.358 128 V HA -0.102 4.019 4.120 0.002 0.000 0.246 128 V C 2.306 178.474 176.094 0.124 0.000 1.047 128 V CA 1.744 64.084 62.300 0.067 0.000 1.035 128 V CB -0.600 31.231 31.823 0.013 0.000 0.658 128 V HN 0.401 8.591 8.190 -0.000 0.000 0.452 129 F N 0.673 120.642 119.950 0.031 0.000 2.102 129 F HA -0.183 4.345 4.527 0.002 0.000 0.298 129 F C 2.040 177.870 175.800 0.050 0.000 1.105 129 F CA 1.718 59.741 58.000 0.037 0.000 1.239 129 F CB -0.427 38.587 39.000 0.023 0.000 0.991 129 F HN 0.032 8.332 8.300 -0.000 0.000 0.474 130 L N 0.148 121.295 121.223 -0.126 0.000 2.042 130 L HA -0.168 4.172 4.340 0.002 0.000 0.210 130 L C 2.843 179.594 176.870 -0.197 0.000 1.076 130 L CA 1.434 56.131 54.840 -0.238 0.000 0.749 130 L CB -1.714 40.335 42.059 -0.016 0.000 0.893 130 L HN 0.383 8.613 8.230 -0.000 0.000 0.432 131 G N 0.134 108.946 108.800 0.019 0.000 2.440 131 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 131 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 131 G C 1.636 176.583 174.900 0.078 0.000 1.154 131 G CA 0.641 45.853 45.100 0.187 0.000 0.767 131 G HN 0.225 8.515 8.290 -0.000 0.000 0.552 132 L N -0.003 121.254 121.223 0.056 0.000 2.046 132 L HA -0.045 4.296 4.340 0.002 0.000 0.208 132 L C 2.768 179.501 176.870 -0.229 0.000 1.077 132 L CA 1.504 56.325 54.840 -0.032 0.000 0.747 132 L CB -0.424 41.617 42.059 -0.029 0.000 0.896 132 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 133 E N 0.236 120.191 120.200 -0.408 0.000 2.085 133 E HA -0.240 4.111 4.350 0.002 0.000 0.194 133 E C 2.038 178.474 176.600 -0.273 0.000 0.994 133 E CA 1.232 57.388 56.400 -0.406 0.000 0.801 133 E CB 0.267 29.581 29.700 -0.643 0.000 0.743 133 E HN 0.293 8.653 8.360 -0.000 0.000 0.453 134 K N -0.068 120.163 120.400 -0.281 0.000 2.098 134 K HA -0.007 4.314 4.320 0.002 0.000 0.203 134 K C 2.212 178.650 176.600 -0.270 0.000 1.051 134 K CA 0.670 56.801 56.287 -0.261 0.000 0.957 134 K CB -0.384 31.933 32.500 -0.305 0.000 0.738 134 K HN 0.105 8.355 8.250 -0.000 0.000 0.447 135 V N 2.097 121.813 119.914 -0.330 0.000 2.453 135 V HA -0.121 4.000 4.120 0.002 0.000 0.247 135 V C 2.384 178.318 176.094 -0.266 0.000 1.048 135 V CA 1.121 63.205 62.300 -0.360 0.000 1.049 135 V CB -0.466 30.971 31.823 -0.644 0.000 0.672 135 V HN 0.149 8.338 8.190 -0.000 0.000 0.457 136 L N 0.072 121.124 121.223 -0.286 0.000 2.191 136 L HA -0.192 4.149 4.340 0.002 0.000 0.212 136 L C 2.536 179.236 176.870 -0.283 0.000 1.103 136 L CA 1.625 56.224 54.840 -0.401 0.000 0.769 136 L CB -0.570 41.039 42.059 -0.749 0.000 0.908 136 L HN 0.351 8.581 8.230 -0.000 0.000 0.438 137 K N 1.132 121.422 120.400 -0.184 0.000 2.026 137 K HA -0.178 4.143 4.320 0.002 0.000 0.208 137 K C 2.086 178.621 176.600 -0.108 0.000 1.048 137 K CA 1.436 57.663 56.287 -0.101 0.000 0.929 137 K CB -0.072 32.375 32.500 -0.089 0.000 0.713 137 K HN 0.205 8.455 8.250 -0.000 0.000 0.439 138 I N 0.865 121.359 120.570 -0.125 0.000 2.226 138 I HA -0.298 3.873 4.170 0.002 0.000 0.245 138 I C 2.498 178.560 176.117 -0.092 0.000 1.100 138 I CA 1.298 62.536 61.300 -0.103 0.000 1.374 138 I CB -0.184 37.749 38.000 -0.111 0.000 1.057 138 I HN 0.272 8.482 8.210 -0.000 0.000 0.413 139 M N -0.255 119.281 119.600 -0.107 0.000 2.175 139 M HA -0.193 4.288 4.480 0.002 0.000 0.264 139 M C 2.506 178.762 176.300 -0.073 0.000 1.063 139 M CA 1.539 56.794 55.300 -0.074 0.000 1.119 139 M CB -0.463 32.094 32.600 -0.072 0.000 1.377 139 M HN 0.156 8.446 8.290 -0.000 0.000 0.415 140 R N 0.968 121.399 120.500 -0.116 0.000 2.096 140 R HA -0.154 4.187 4.340 0.002 0.000 0.235 140 R C 1.703 177.880 176.300 -0.204 0.000 1.127 140 R CA 1.652 57.609 56.100 -0.238 0.000 0.968 140 R CB -0.068 30.050 30.300 -0.303 0.000 0.861 140 R HN 0.444 8.714 8.270 -0.000 0.000 0.440 141 E N 0.071 120.194 120.200 -0.127 0.000 2.150 141 E HA -0.208 4.143 4.350 0.002 0.000 0.193 141 E C 2.075 178.643 176.600 -0.053 0.000 0.985 141 E CA 1.113 57.462 56.400 -0.085 0.000 0.814 141 E CB 0.030 29.691 29.700 -0.065 0.000 0.752 141 E HN 0.517 8.877 8.360 -0.000 0.000 0.466 142 Q N -0.563 119.210 119.800 -0.045 0.000 2.245 142 Q HA -0.009 4.332 4.340 0.002 0.000 0.201 142 Q C 1.246 177.246 176.000 -0.001 0.000 0.955 142 Q CA 0.694 56.486 55.803 -0.018 0.000 0.870 142 Q CB 0.363 29.093 28.738 -0.013 0.000 0.945 142 Q HN 0.426 8.696 8.270 -0.000 0.000 0.461 143 G N 1.305 110.104 108.800 -0.001 0.000 2.143 143 G HA2 -0.278 3.683 3.960 0.002 0.000 0.248 143 G HA3 -0.278 3.683 3.960 0.002 0.000 0.248 143 G C 0.026 174.967 174.900 0.069 0.000 0.991 143 G CA 0.381 45.511 45.100 0.049 0.000 0.689 143 G HN 0.509 8.799 8.290 -0.000 0.000 0.522 144 S N -2.007 113.722 115.700 0.049 0.000 2.587 144 S HA 0.974 5.445 4.470 0.002 0.000 0.269 144 S C -0.294 174.328 174.600 0.038 0.000 1.154 144 S CA 0.276 58.506 58.200 0.050 0.000 0.824 144 S CB 1.970 65.189 63.200 0.032 0.000 1.118 144 S HN 2.423 10.732 8.310 -0.000 0.000 0.462 145 G N 0.855 109.680 108.800 0.042 0.000 2.343 145 G HA2 0.440 4.401 3.960 0.002 0.000 0.298 145 G HA3 0.440 4.401 3.960 0.002 0.000 0.298 145 G C -1.846 173.084 174.900 0.050 0.000 1.644 145 G CA -0.933 44.192 45.100 0.041 0.000 0.958 145 G HN 0.712 9.002 8.290 -0.000 0.000 0.702 146 M N 0.937 120.574 119.600 0.062 0.000 2.395 146 M HA 0.680 5.161 4.480 0.002 0.000 0.307 146 M C -0.479 175.877 176.300 0.093 0.000 1.091 146 M CA -1.058 54.275 55.300 0.055 0.000 0.919 146 M CB 1.566 34.186 32.600 0.033 0.000 1.662 146 M HN 0.440 8.730 8.290 -0.000 0.000 0.440 147 V N 2.939 122.897 119.914 0.074 0.000 2.789 147 V HA 0.736 4.857 4.120 0.002 0.000 0.311 147 V C -0.687 175.427 176.094 0.032 0.000 1.073 147 V CA -0.788 61.567 62.300 0.091 0.000 0.921 147 V CB 2.729 34.621 31.823 0.116 0.000 1.009 147 V HN 0.651 8.841 8.190 -0.000 0.000 0.426 148 V N 3.986 123.913 119.914 0.023 0.000 2.482 148 V HA 0.498 4.619 4.120 0.002 0.000 0.295 148 V C -0.582 175.539 176.094 0.044 0.000 1.026 148 V CA -0.782 61.551 62.300 0.056 0.000 0.856 148 V CB 1.995 33.867 31.823 0.082 0.000 1.001 148 V HN 0.868 9.058 8.190 -0.000 0.000 0.424 149 N N 2.201 120.898 118.700 -0.005 0.000 2.430 149 N HA 0.389 5.130 4.740 0.002 0.000 0.292 149 N C -0.171 175.324 175.510 -0.026 0.000 1.051 149 N CA -0.352 52.651 53.050 -0.077 0.000 0.917 149 N CB 1.969 40.416 38.487 -0.068 0.000 1.164 149 N HN 0.551 8.931 8.380 -0.000 0.000 0.484 150 T N 1.458 115.951 114.554 -0.101 0.000 2.723 150 T HA 0.422 4.773 4.350 0.002 0.000 0.297 150 T C 0.792 175.447 174.700 -0.075 0.000 0.925 150 T CA -0.437 61.629 62.100 -0.055 0.000 1.030 150 T CB 0.763 69.536 68.868 -0.157 0.000 0.905 150 T HN 0.561 8.801 8.240 -0.000 0.000 0.502 151 A N 3.425 126.221 122.820 -0.040 0.000 3.748 151 A HA 0.926 5.247 4.320 0.002 0.000 0.180 151 A C 0.655 178.213 177.584 -0.044 0.000 1.758 151 A CA -0.270 51.721 52.037 -0.077 0.000 1.736 151 A CB 0.212 19.170 19.000 -0.070 0.000 1.559 151 A HN 0.833 8.983 8.150 -0.000 0.000 0.575 152 S N -3.722 111.969 115.700 -0.015 0.000 2.688 152 S HA 0.244 4.715 4.470 0.002 0.000 0.269 152 S C 0.430 175.066 174.600 0.060 0.000 1.060 152 S CA 0.176 58.420 58.200 0.074 0.000 0.844 152 S CB 0.339 63.652 63.200 0.188 0.000 1.095 152 S HN 1.806 10.116 8.310 -0.000 0.000 0.466 153 V N 1.088 121.065 119.914 0.105 0.000 2.759 153 V HA 0.250 4.371 4.120 0.002 0.000 0.256 153 V C 2.102 178.254 176.094 0.097 0.000 1.080 153 V CA 2.147 64.496 62.300 0.081 0.000 1.101 153 V CB -1.416 30.468 31.823 0.102 0.000 0.698 153 V HN 1.133 9.323 8.190 -0.000 0.000 0.477 154 G N 0.301 109.205 108.800 0.173 0.000 2.848 154 G HA2 0.183 4.144 3.960 0.002 0.000 0.208 154 G HA3 0.183 4.144 3.960 0.002 0.000 0.208 154 G C 1.213 176.215 174.900 0.171 0.000 1.152 154 G CA 0.498 45.740 45.100 0.237 0.000 0.789 154 G HN 0.734 9.024 8.290 -0.000 0.000 0.531 155 G N 0.439 109.206 108.800 -0.056 0.000 3.126 155 G HA2 0.274 4.235 3.960 0.002 0.000 0.224 155 G HA3 0.274 4.235 3.960 0.002 0.000 0.224 155 G C 1.217 175.564 174.900 -0.921 0.000 1.142 155 G CA 0.596 45.467 45.100 -0.383 0.000 0.759 155 G HN 0.630 8.920 8.290 -0.000 0.000 0.550 156 I N -4.679 115.618 120.570 -0.455 0.000 4.670 156 I HA 0.561 4.732 4.170 0.002 0.000 0.339 156 I C 0.016 176.133 176.117 0.001 0.000 1.310 156 I CA -0.456 60.676 61.300 -0.281 0.000 1.288 156 I CB 0.746 38.675 38.000 -0.119 0.000 1.427 156 I HN -0.261 7.949 8.210 -0.000 0.000 0.494 157 R N 1.555 122.118 120.500 0.105 0.000 2.817 157 R HA 0.623 4.964 4.340 0.002 0.000 0.268 157 R C -0.669 175.757 176.300 0.209 0.000 1.027 157 R CA -0.437 55.754 56.100 0.153 0.000 0.928 157 R CB 1.688 32.041 30.300 0.089 0.000 1.228 157 R HN 0.106 8.376 8.270 -0.000 0.000 0.469 158 G N 0.572 109.453 108.800 0.135 0.000 2.347 158 G HA2 0.454 4.415 3.960 0.002 0.000 0.314 158 G HA3 0.454 4.415 3.960 0.002 0.000 0.314 158 G C 0.679 175.638 174.900 0.098 0.000 1.126 158 G CA -0.413 44.752 45.100 0.109 0.000 0.929 158 G HN 0.454 8.744 8.290 -0.000 0.000 0.441 159 I N 1.738 122.381 120.570 0.122 0.000 2.731 159 I HA 0.254 4.425 4.170 0.002 0.000 0.260 159 I C 1.460 177.640 176.117 0.106 0.000 1.138 159 I CA 1.034 62.411 61.300 0.129 0.000 1.461 159 I CB -0.098 38.000 38.000 0.163 0.000 1.128 159 I HN 0.722 8.932 8.210 -0.000 0.000 0.438 160 G N 1.188 110.042 108.800 0.090 0.000 2.788 160 G HA2 -0.203 3.758 3.960 0.002 0.000 0.686 160 G HA3 -0.203 3.758 3.960 0.002 0.000 0.686 160 G C 0.072 175.025 174.900 0.089 0.000 1.147 160 G CA -0.166 44.979 45.100 0.075 0.000 0.755 160 G HN 0.459 8.749 8.290 -0.000 0.000 0.634 161 N N -0.984 117.771 118.700 0.092 0.000 2.753 161 N HA -0.257 4.484 4.740 0.002 0.000 0.251 161 N C 0.747 176.377 175.510 0.199 0.000 1.097 161 N CA 1.571 54.703 53.050 0.137 0.000 0.786 161 N CB -0.545 38.010 38.487 0.113 0.000 1.137 161 N HN 1.189 9.569 8.380 -0.000 0.000 0.566 162 Q N -1.931 117.947 119.800 0.131 0.000 2.805 162 Q HA 0.458 4.799 4.340 0.002 0.000 0.360 162 Q C 0.089 176.028 176.000 -0.102 0.000 0.832 162 Q CA -0.527 55.359 55.803 0.139 0.000 1.020 162 Q CB 0.958 29.782 28.738 0.144 0.000 1.444 162 Q HN 0.003 8.273 8.270 -0.000 0.000 0.391 163 S N 0.795 116.210 115.700 -0.477 0.000 2.368 163 S HA -0.211 4.260 4.470 0.002 0.000 0.226 163 S C 1.749 176.127 174.600 -0.371 0.000 1.044 163 S CA 2.108 60.002 58.200 -0.509 0.000 1.062 163 S CB -0.359 62.433 63.200 -0.681 0.000 0.931 163 S HN 0.805 9.115 8.310 -0.000 0.000 0.440 164 G N -0.533 107.819 108.800 -0.747 0.000 2.421 164 G HA2 -0.239 3.722 3.960 0.002 0.000 0.216 164 G HA3 -0.239 3.722 3.960 0.002 0.000 0.216 164 G C 1.283 176.118 174.900 -0.108 0.000 1.171 164 G CA 0.901 45.827 45.100 -0.291 0.000 0.775 164 G HN 0.533 8.823 8.290 -0.000 0.000 0.543 165 Y N 1.878 122.134 120.300 -0.074 0.000 2.145 165 Y HA 0.006 4.557 4.550 0.002 0.000 0.286 165 Y C 3.015 178.914 175.900 -0.001 0.000 1.145 165 Y CA 1.467 59.557 58.100 -0.016 0.000 1.148 165 Y CB -0.321 38.161 38.460 0.037 0.000 0.981 165 Y HN 0.255 8.535 8.280 -0.000 0.000 0.507 166 A N 0.154 123.068 122.820 0.157 0.000 1.883 166 A HA -0.174 4.147 4.320 0.002 0.000 0.217 166 A C 2.404 180.022 177.584 0.056 0.000 1.186 166 A CA 2.077 54.194 52.037 0.133 0.000 0.624 166 A CB -1.500 17.538 19.000 0.064 0.000 0.822 166 A HN 0.566 8.716 8.150 -0.000 0.000 0.444 167 A N -0.277 122.534 122.820 -0.015 0.000 1.873 167 A HA 0.189 4.510 4.320 0.002 0.000 0.215 167 A C 2.531 180.087 177.584 -0.046 0.000 1.186 167 A CA 2.138 54.168 52.037 -0.012 0.000 0.616 167 A CB -1.064 17.992 19.000 0.094 0.000 0.823 167 A HN 1.055 9.205 8.150 -0.000 0.000 0.442 168 A N -0.464 122.270 122.820 -0.144 0.000 1.877 168 A HA -0.119 4.202 4.320 0.002 0.000 0.216 168 A C 2.070 179.560 177.584 -0.157 0.000 1.186 168 A CA 1.765 53.698 52.037 -0.173 0.000 0.620 168 A CB -0.330 18.529 19.000 -0.234 0.000 0.822 168 A HN 0.321 8.471 8.150 -0.000 0.000 0.443 169 K N -0.709 119.557 120.400 -0.224 0.000 2.155 169 K HA -0.098 4.223 4.320 0.002 0.000 0.203 169 K C 1.757 178.307 176.600 -0.084 0.000 1.052 169 K CA 1.522 57.675 56.287 -0.223 0.000 0.948 169 K CB -0.564 31.711 32.500 -0.376 0.000 0.728 169 K HN 0.692 8.942 8.250 -0.000 0.000 0.448 170 H N -0.226 118.788 119.070 -0.094 0.000 2.389 170 H HA -0.019 4.537 4.556 0.001 0.000 0.299 170 H C 2.043 177.348 175.328 -0.040 0.000 1.081 170 H CA 1.662 57.683 56.048 -0.044 0.000 1.345 170 H CB -0.350 29.399 29.762 -0.021 0.000 1.393 170 H HN 0.338 8.618 8.280 -0.000 0.000 0.520 171 G N -0.195 108.647 108.800 0.070 0.000 2.442 171 G HA2 -0.228 3.733 3.960 0.002 0.000 0.219 171 G HA3 -0.228 3.733 3.960 0.002 0.000 0.219 171 G C 1.791 176.695 174.900 0.006 0.000 1.141 171 G CA 1.161 46.276 45.100 0.025 0.000 0.763 171 G HN 0.307 8.597 8.290 -0.000 0.000 0.554 172 V N 0.441 120.339 119.914 -0.026 0.000 2.407 172 V HA -0.158 3.963 4.120 0.002 0.000 0.248 172 V C 3.006 179.089 176.094 -0.018 0.000 1.055 172 V CA 1.385 63.668 62.300 -0.029 0.000 1.049 172 V CB -0.206 31.573 31.823 -0.073 0.000 0.662 172 V HN 0.259 8.449 8.190 -0.000 0.000 0.455 173 V N 0.872 120.766 119.914 -0.033 0.000 2.343 173 V HA -0.164 3.957 4.120 0.002 0.000 0.247 173 V C 2.618 178.715 176.094 0.004 0.000 1.051 173 V CA 2.116 64.399 62.300 -0.029 0.000 1.036 173 V CB -1.315 30.466 31.823 -0.070 0.000 0.654 173 V HN 0.608 8.798 8.190 -0.000 0.000 0.451 174 G N -0.273 108.539 108.800 0.019 0.000 2.418 174 G HA2 -0.206 3.755 3.960 0.002 0.000 0.217 174 G HA3 -0.206 3.755 3.960 0.002 0.000 0.217 174 G C 1.590 176.518 174.900 0.047 0.000 1.158 174 G CA 0.868 45.989 45.100 0.035 0.000 0.771 174 G HN 0.461 8.751 8.290 -0.000 0.000 0.545 175 L N 0.448 121.704 121.223 0.055 0.000 2.083 175 L HA -0.086 4.255 4.340 0.002 0.000 0.209 175 L C 3.194 180.112 176.870 0.080 0.000 1.083 175 L CA 1.480 56.374 54.840 0.090 0.000 0.752 175 L CB -0.718 41.408 42.059 0.111 0.000 0.899 175 L HN 0.185 8.415 8.230 -0.000 0.000 0.433 176 T N -0.643 113.941 114.554 0.050 0.000 2.708 176 T HA -0.182 4.169 4.350 0.002 0.000 0.266 176 T C 2.036 176.765 174.700 0.048 0.000 1.037 176 T CA 1.285 63.410 62.100 0.041 0.000 1.146 176 T CB -0.149 68.729 68.868 0.018 0.000 0.865 176 T HN 0.293 8.533 8.240 -0.000 0.000 0.435 177 R N 0.887 121.411 120.500 0.040 0.000 2.066 177 R HA -0.043 4.298 4.340 0.002 0.000 0.232 177 R C 2.523 178.855 176.300 0.053 0.000 1.131 177 R CA 1.604 57.726 56.100 0.037 0.000 0.955 177 R CB -0.367 29.949 30.300 0.027 0.000 0.851 177 R HN 0.370 8.640 8.270 -0.000 0.000 0.432 178 N N 0.239 118.979 118.700 0.066 0.000 2.106 178 N HA -0.120 4.621 4.740 0.002 0.000 0.188 178 N C 1.530 177.112 175.510 0.120 0.000 1.029 178 N CA 1.778 54.876 53.050 0.081 0.000 0.848 178 N CB 0.003 38.541 38.487 0.085 0.000 1.007 178 N HN -0.035 8.345 8.380 -0.000 0.000 0.423 179 S N -0.258 115.532 115.700 0.151 0.000 2.383 179 S HA -0.028 4.443 4.470 0.002 0.000 0.227 179 S C 2.010 176.759 174.600 0.248 0.000 1.026 179 S CA 0.931 59.273 58.200 0.236 0.000 0.981 179 S CB -0.554 62.754 63.200 0.181 0.000 0.818 179 S HN 0.592 8.902 8.310 -0.000 0.000 0.472 180 A N 1.066 123.973 122.820 0.145 0.000 1.940 180 A HA -0.060 4.261 4.320 0.002 0.000 0.219 180 A C 2.289 179.927 177.584 0.090 0.000 1.176 180 A CA 1.459 53.564 52.037 0.112 0.000 0.631 180 A CB -0.818 18.214 19.000 0.054 0.000 0.814 180 A HN 0.356 8.506 8.150 -0.000 0.000 0.446 181 V N 0.051 120.005 119.914 0.067 0.000 2.515 181 V HA -0.235 3.885 4.120 0.002 0.000 0.250 181 V C 2.348 178.445 176.094 0.005 0.000 1.058 181 V CA 2.209 64.523 62.300 0.024 0.000 1.064 181 V CB -0.744 31.090 31.823 0.018 0.000 0.675 181 V HN 0.667 8.857 8.190 -0.000 0.000 0.461 182 E N -0.950 119.273 120.200 0.039 0.000 2.076 182 E HA -0.147 4.204 4.350 0.002 0.000 0.190 182 E C 1.818 178.294 176.600 -0.206 0.000 0.979 182 E CA 1.367 57.717 56.400 -0.083 0.000 0.807 182 E CB -0.117 29.541 29.700 -0.070 0.000 0.761 182 E HN 0.710 9.070 8.360 -0.000 0.000 0.454 183 Y N -0.050 120.310 120.300 0.101 0.000 2.462 183 Y HA 0.195 4.746 4.550 0.002 0.000 0.261 183 Y C 2.228 178.190 175.900 0.103 0.000 1.146 183 Y CA 0.146 58.366 58.100 0.201 0.000 1.283 183 Y CB 0.314 38.908 38.460 0.224 0.000 1.090 183 Y HN 0.069 8.349 8.280 -0.000 0.000 0.526 184 G N 1.245 110.109 108.800 0.107 0.000 2.462 184 G HA2 -0.284 3.677 3.960 0.002 0.000 0.220 184 G HA3 -0.284 3.677 3.960 0.002 0.000 0.220 184 G C 1.739 176.622 174.900 -0.028 0.000 1.121 184 G CA 0.929 46.055 45.100 0.043 0.000 0.758 184 G HN 0.475 8.765 8.290 -0.000 0.000 0.559 185 R N -0.858 119.532 120.500 -0.184 0.000 2.237 185 R HA -0.018 4.323 4.340 0.002 0.000 0.219 185 R C 1.353 177.483 176.300 -0.284 0.000 1.080 185 R CA 1.046 56.970 56.100 -0.293 0.000 0.995 185 R CB -0.506 29.511 30.300 -0.472 0.000 0.875 185 R HN 0.421 8.691 8.270 -0.000 0.000 0.462 186 Y N 0.302 120.633 120.300 0.052 0.000 2.466 186 Y HA 0.334 4.885 4.550 0.002 0.000 0.272 186 Y C 1.683 177.620 175.900 0.063 0.000 1.169 186 Y CA 0.202 58.339 58.100 0.063 0.000 1.285 186 Y CB 0.658 39.178 38.460 0.101 0.000 1.078 186 Y HN 0.383 8.663 8.280 -0.000 0.000 0.523 187 G N 0.297 109.195 108.800 0.164 0.000 2.176 187 G HA2 -0.275 3.686 3.960 0.002 0.000 0.232 187 G HA3 -0.275 3.686 3.960 0.002 0.000 0.232 187 G C 0.201 175.173 174.900 0.121 0.000 0.986 187 G CA -0.094 45.079 45.100 0.123 0.000 0.643 187 G HN 0.266 8.556 8.290 -0.000 0.000 0.522 188 I N 1.459 122.131 120.570 0.170 0.000 2.575 188 I HA 0.434 4.605 4.170 0.002 0.000 0.285 188 I C 0.541 176.722 176.117 0.105 0.000 1.085 188 I CA -0.375 61.011 61.300 0.144 0.000 1.403 188 I CB 0.697 38.820 38.000 0.205 0.000 1.409 188 I HN -0.052 8.158 8.210 -0.000 0.000 0.557 189 R N 6.840 127.378 120.500 0.063 0.000 2.561 189 R HA 0.653 4.994 4.340 0.002 0.000 0.297 189 R C -1.101 175.217 176.300 0.030 0.000 0.969 189 R CA -0.748 55.371 56.100 0.031 0.000 0.879 189 R CB 1.825 32.120 30.300 -0.009 0.000 1.178 189 R HN 0.543 8.813 8.270 -0.000 0.000 0.445 190 I N 2.894 123.483 120.570 0.031 0.000 2.439 190 I HA 0.372 4.543 4.170 0.002 0.000 0.285 190 I C -0.323 175.803 176.117 0.015 0.000 1.021 190 I CA -0.565 60.753 61.300 0.031 0.000 1.091 190 I CB 1.711 39.742 38.000 0.052 0.000 1.242 190 I HN 0.345 8.555 8.210 -0.000 0.000 0.439 191 N N 3.888 122.592 118.700 0.006 0.000 2.571 191 N HA 0.829 5.570 4.740 0.002 0.000 0.273 191 N C -1.189 174.328 175.510 0.013 0.000 1.340 191 N CA -0.683 52.369 53.050 0.004 0.000 0.789 191 N CB 2.647 41.129 38.487 -0.008 0.000 1.514 191 N HN 0.585 8.965 8.380 -0.000 0.000 0.499 192 A N 0.474 123.304 122.820 0.018 0.000 2.454 192 A HA 0.764 5.085 4.320 0.002 0.000 0.302 192 A C -0.517 177.091 177.584 0.039 0.000 1.079 192 A CA -0.719 51.331 52.037 0.022 0.000 0.731 192 A CB 0.883 19.884 19.000 0.001 0.000 1.299 192 A HN 0.634 8.784 8.150 -0.000 0.000 0.413 193 I N -1.295 119.311 120.570 0.060 0.000 2.525 193 I HA 0.827 4.998 4.170 0.002 0.000 0.301 193 I C 0.081 176.231 176.117 0.054 0.000 0.992 193 I CA -0.922 60.421 61.300 0.071 0.000 1.162 193 I CB 2.318 40.383 38.000 0.107 0.000 1.332 193 I HN 0.587 8.797 8.210 -0.000 0.000 0.458 194 A N 6.175 129.026 122.820 0.051 0.000 2.938 194 A HA 0.586 4.907 4.320 0.002 0.000 0.344 194 A C -2.574 175.051 177.584 0.068 0.000 1.142 194 A CA -1.510 50.553 52.037 0.044 0.000 0.841 194 A CB -0.324 18.688 19.000 0.020 0.000 1.083 194 A HN 0.613 8.763 8.150 -0.000 0.000 0.479 195 P HA 0.239 4.659 4.420 -0.000 0.000 0.271 195 P C 0.584 177.953 177.300 0.116 0.000 1.218 195 P CA 0.536 63.697 63.100 0.102 0.000 0.780 195 P CB 1.644 33.412 31.700 0.113 0.000 0.901 196 G N 1.293 110.164 108.800 0.119 0.000 3.365 196 G HA2 0.458 4.419 3.960 0.002 0.000 0.185 196 G HA3 0.458 4.419 3.960 0.002 0.000 0.185 196 G C -0.395 174.613 174.900 0.179 0.000 1.565 196 G CA -0.283 44.901 45.100 0.142 0.000 0.984 196 G HN 0.571 8.861 8.290 -0.000 0.000 0.604 197 A N 0.496 123.440 122.820 0.206 0.000 2.666 197 A HA 0.515 4.836 4.320 0.002 0.000 0.301 197 A C -0.315 177.488 177.584 0.365 0.000 1.470 197 A CA -0.042 52.164 52.037 0.282 0.000 1.159 197 A CB -0.789 18.302 19.000 0.153 0.000 1.116 197 A HN 0.278 8.428 8.150 -0.000 0.000 0.548 198 I N 1.681 122.450 120.570 0.331 0.000 2.377 198 I HA 0.134 4.305 4.170 0.002 0.000 0.293 198 I C 0.131 176.449 176.117 0.335 0.000 0.987 198 I CA -0.996 60.491 61.300 0.312 0.000 1.185 198 I CB 1.346 39.454 38.000 0.179 0.000 1.341 198 I HN 0.761 8.971 8.210 -0.000 0.000 0.455 199 W N 8.092 129.465 121.300 0.122 0.000 2.510 199 W HA 0.176 4.838 4.660 0.002 0.000 0.388 199 W C -0.246 176.263 176.519 -0.017 0.000 1.092 199 W CA 0.053 57.385 57.345 -0.022 0.000 1.562 199 W CB 0.569 29.966 29.460 -0.104 0.000 1.603 199 W HN 0.696 8.876 8.180 -0.000 0.000 0.396 200 T N 1.758 116.091 114.554 -0.369 0.000 2.888 200 T HA 0.419 4.770 4.350 0.002 0.000 0.288 200 T C -2.145 172.279 174.700 -0.460 0.000 1.063 200 T CA -1.668 60.252 62.100 -0.301 0.000 1.010 200 T CB 2.221 71.008 68.868 -0.135 0.000 1.214 200 T HN -0.072 8.168 8.240 -0.000 0.000 0.533 201 P HA -0.051 4.369 4.420 -0.000 0.000 0.216 201 P C 1.793 178.926 177.300 -0.278 0.000 1.150 201 P CA 1.002 63.931 63.100 -0.284 0.000 0.837 201 P CB -0.022 31.576 31.700 -0.170 0.000 0.786 202 M N -0.807 118.660 119.600 -0.222 0.000 2.086 202 M HA -0.139 4.342 4.480 0.002 0.000 0.261 202 M C 1.659 177.809 176.300 -0.250 0.000 1.067 202 M CA 1.910 57.096 55.300 -0.190 0.000 1.116 202 M CB -0.483 32.043 32.600 -0.123 0.000 1.348 202 M HN -0.235 8.055 8.290 -0.000 0.000 0.407 203 V N 0.498 120.230 119.914 -0.303 0.000 2.427 203 V HA -0.253 3.868 4.120 0.002 0.000 0.248 203 V C 2.203 178.003 176.094 -0.489 0.000 1.051 203 V CA 2.188 64.289 62.300 -0.332 0.000 1.048 203 V CB -0.902 30.779 31.823 -0.237 0.000 0.666 203 V HN 0.590 8.780 8.190 -0.000 0.000 0.456 204 E N 0.525 120.268 120.200 -0.762 0.000 2.077 204 E HA -0.269 4.082 4.350 0.002 0.000 0.193 204 E C 2.228 178.634 176.600 -0.324 0.000 0.989 204 E CA 1.449 57.395 56.400 -0.756 0.000 0.800 204 E CB -0.226 29.016 29.700 -0.763 0.000 0.746 204 E HN 0.663 9.023 8.360 -0.000 0.000 0.452 205 N N 0.023 118.561 118.700 -0.270 0.000 2.244 205 N HA -0.148 4.593 4.740 0.002 0.000 0.183 205 N C 1.914 177.335 175.510 -0.149 0.000 1.016 205 N CA 1.194 54.142 53.050 -0.170 0.000 0.866 205 N CB -0.041 38.357 38.487 -0.148 0.000 0.980 205 N HN 0.044 8.424 8.380 -0.000 0.000 0.430 206 S N 0.277 115.865 115.700 -0.186 0.000 2.368 206 S HA -0.039 4.432 4.470 0.002 0.000 0.225 206 S C 1.987 176.505 174.600 -0.137 0.000 1.030 206 S CA 0.790 58.886 58.200 -0.174 0.000 0.999 206 S CB -0.083 62.979 63.200 -0.231 0.000 0.844 206 S HN 0.265 8.575 8.310 -0.000 0.000 0.459 207 M N 1.083 120.611 119.600 -0.121 0.000 2.296 207 M HA 0.049 4.530 4.480 0.002 0.000 0.265 207 M C 2.011 178.298 176.300 -0.020 0.000 1.064 207 M CA 1.247 56.521 55.300 -0.043 0.000 1.109 207 M CB -1.228 31.403 32.600 0.052 0.000 1.396 207 M HN 0.288 8.578 8.290 -0.000 0.000 0.430 208 K N 0.602 120.977 120.400 -0.041 0.000 2.097 208 K HA -0.119 4.201 4.320 0.002 0.000 0.205 208 K C 1.955 178.537 176.600 -0.030 0.000 1.050 208 K CA 1.334 57.604 56.287 -0.029 0.000 0.938 208 K CB 0.011 32.484 32.500 -0.046 0.000 0.718 208 K HN 0.389 8.639 8.250 -0.000 0.000 0.442 209 Q N -0.215 119.558 119.800 -0.046 0.000 2.083 209 Q HA -0.121 4.220 4.340 0.002 0.000 0.198 209 Q C 2.039 178.026 176.000 -0.021 0.000 0.969 209 Q CA 1.230 57.009 55.803 -0.039 0.000 0.838 209 Q CB -0.181 28.525 28.738 -0.054 0.000 0.900 209 Q HN 0.237 8.507 8.270 -0.000 0.000 0.436 210 L N 1.082 122.293 121.223 -0.021 0.000 2.012 210 L HA -0.144 4.197 4.340 0.002 0.000 0.210 210 L C 0.335 177.215 176.870 0.017 0.000 1.073 210 L CA 1.759 56.601 54.840 0.003 0.000 0.748 210 L CB 0.094 42.157 42.059 0.006 0.000 0.891 210 L HN 0.083 8.313 8.230 -0.000 0.000 0.431 211 D N -2.631 117.779 120.400 0.016 0.000 2.381 211 D HA 0.234 4.875 4.640 0.002 0.000 0.245 211 D C -2.091 174.217 176.300 0.013 0.000 1.297 211 D CA -1.705 52.307 54.000 0.020 0.000 0.931 211 D CB 1.231 42.051 40.800 0.033 0.000 1.334 211 D HN -0.076 8.294 8.370 -0.000 0.000 0.535 212 P HA -0.113 4.307 4.420 -0.000 0.000 0.218 212 P C 1.061 178.364 177.300 0.005 0.000 1.148 212 P CA 0.916 64.016 63.100 0.001 0.000 0.822 212 P CB 0.510 32.208 31.700 -0.004 0.000 0.784 213 E N -1.648 118.557 120.200 0.009 0.000 2.216 213 E HA -0.021 4.330 4.350 0.002 0.000 0.192 213 E C 0.647 177.256 176.600 0.014 0.000 0.988 213 E CA 0.856 57.261 56.400 0.010 0.000 0.834 213 E CB -0.350 29.355 29.700 0.010 0.000 0.772 213 E HN 0.188 8.548 8.360 -0.000 0.000 0.479 214 N N -0.120 118.591 118.700 0.019 0.000 2.722 214 N HA 0.083 4.824 4.740 0.002 0.000 0.242 214 N C -2.279 173.252 175.510 0.034 0.000 1.398 214 N CA -1.232 51.833 53.050 0.024 0.000 0.755 214 N CB 1.233 39.735 38.487 0.024 0.000 1.268 214 N HN -0.183 8.197 8.380 -0.000 0.000 0.522 215 P HA -0.138 4.282 4.420 -0.000 0.000 0.220 215 P C 1.337 178.681 177.300 0.075 0.000 1.148 215 P CA 0.691 63.823 63.100 0.054 0.000 0.803 215 P CB 0.786 32.516 31.700 0.050 0.000 0.782 216 R N 1.052 121.584 120.500 0.054 0.000 2.081 216 R HA -0.130 4.211 4.340 0.002 0.000 0.235 216 R C 2.497 178.823 176.300 0.043 0.000 1.131 216 R CA 1.701 57.822 56.100 0.035 0.000 0.960 216 R CB -0.385 29.921 30.300 0.009 0.000 0.856 216 R HN 0.022 8.292 8.270 -0.000 0.000 0.436 217 K N -0.070 120.357 120.400 0.045 0.000 2.057 217 K HA -0.113 4.208 4.320 0.002 0.000 0.207 217 K C 1.908 178.558 176.600 0.083 0.000 1.049 217 K CA 1.424 57.742 56.287 0.052 0.000 0.931 217 K CB -0.159 32.365 32.500 0.041 0.000 0.714 217 K HN 0.242 8.492 8.250 -0.000 0.000 0.440 218 A N 1.071 123.946 122.820 0.091 0.000 1.902 218 A HA -0.108 4.213 4.320 0.002 0.000 0.217 218 A C 2.353 180.053 177.584 0.193 0.000 1.181 218 A CA 1.895 54.005 52.037 0.122 0.000 0.623 218 A CB -0.890 18.164 19.000 0.090 0.000 0.818 218 A HN 0.498 8.648 8.150 -0.000 0.000 0.443 219 A N -0.347 122.589 122.820 0.193 0.000 1.877 219 A HA -0.145 4.176 4.320 0.002 0.000 0.216 219 A C 1.933 179.731 177.584 0.356 0.000 1.186 219 A CA 1.741 53.959 52.037 0.302 0.000 0.620 219 A CB -0.447 18.644 19.000 0.152 0.000 0.822 219 A HN 0.453 8.603 8.150 -0.000 0.000 0.443 220 E N -0.260 120.056 120.200 0.194 0.000 2.077 220 E HA -0.208 4.143 4.350 0.002 0.000 0.193 220 E C 1.916 178.604 176.600 0.148 0.000 0.989 220 E CA 1.388 57.882 56.400 0.156 0.000 0.800 220 E CB -0.450 29.293 29.700 0.072 0.000 0.746 220 E HN 0.861 9.221 8.360 -0.000 0.000 0.452 221 E N -0.145 120.142 120.200 0.146 0.000 2.072 221 E HA -0.164 4.187 4.350 0.002 0.000 0.191 221 E C 1.954 178.632 176.600 0.130 0.000 0.985 221 E CA 0.520 56.988 56.400 0.113 0.000 0.801 221 E CB -0.185 29.578 29.700 0.107 0.000 0.750 221 E HN 0.163 8.523 8.360 -0.000 0.000 0.452 222 F N 0.693 120.681 119.950 0.063 0.000 2.171 222 F HA -0.159 4.370 4.527 0.003 0.000 0.300 222 F C 1.987 177.764 175.800 -0.037 0.000 1.090 222 F CA 1.103 59.127 58.000 0.040 0.000 1.293 222 F CB -0.021 39.043 39.000 0.106 0.000 1.013 222 F HN 0.092 8.392 8.300 -0.000 0.000 0.486 223 I N 0.160 120.760 120.570 0.050 0.000 3.428 223 I HA -0.104 4.067 4.170 0.002 0.000 0.286 223 I C 1.962 177.996 176.117 -0.139 0.000 1.287 223 I CA 0.634 61.833 61.300 -0.169 0.000 1.396 223 I CB -0.601 37.228 38.000 -0.285 0.000 1.062 223 I HN 0.108 8.318 8.210 -0.000 0.000 0.471 224 Q N -0.211 119.539 119.800 -0.083 0.000 2.112 224 Q HA -0.174 4.167 4.340 0.002 0.000 0.206 224 Q C 2.347 178.289 176.000 -0.096 0.000 0.987 224 Q CA 1.678 57.440 55.803 -0.068 0.000 0.858 224 Q CB -0.866 27.848 28.738 -0.040 0.000 0.905 224 Q HN 0.440 8.710 8.270 -0.000 0.000 0.420 225 V N 1.502 121.330 119.914 -0.144 0.000 3.306 225 V HA -0.017 4.104 4.120 0.002 0.000 0.264 225 V C 0.829 176.840 176.094 -0.138 0.000 1.149 225 V CA 0.104 62.321 62.300 -0.140 0.000 1.143 225 V CB -0.317 31.404 31.823 -0.171 0.000 0.767 225 V HN 0.308 8.498 8.190 -0.000 0.000 0.476 226 N N 0.992 119.596 118.700 -0.159 0.000 2.483 226 N HA 0.053 4.794 4.740 0.002 0.000 0.264 226 N C -1.672 173.788 175.510 -0.083 0.000 1.197 226 N CA -0.963 52.008 53.050 -0.132 0.000 0.927 226 N CB 1.757 40.151 38.487 -0.155 0.000 1.065 226 N HN 0.138 8.518 8.380 -0.000 0.000 0.461 227 P HA -0.060 4.360 4.420 -0.000 0.000 0.217 227 P C 0.750 178.031 177.300 -0.032 0.000 1.148 227 P CA 1.194 64.271 63.100 -0.038 0.000 0.828 227 P CB 0.305 31.989 31.700 -0.027 0.000 0.783 228 S N -1.217 114.462 115.700 -0.034 0.000 2.527 228 S HA 0.025 4.496 4.470 0.002 0.000 0.222 228 S C 0.600 175.184 174.600 -0.026 0.000 0.985 228 S CA 0.283 58.469 58.200 -0.024 0.000 0.921 228 S CB -0.496 62.695 63.200 -0.015 0.000 0.772 228 S HN 0.064 8.374 8.310 -0.000 0.000 0.529 229 K N 0.688 121.062 120.400 -0.043 0.000 3.088 229 K HA -0.200 4.121 4.320 0.002 0.000 0.273 229 K C -0.014 176.569 176.600 -0.030 0.000 1.111 229 K CA 1.046 57.308 56.287 -0.041 0.000 0.803 229 K CB -1.904 30.581 32.500 -0.025 0.000 1.226 229 K HN 0.780 9.030 8.250 -0.000 0.000 0.485 230 R N -2.513 117.964 120.500 -0.038 0.000 2.712 230 R HA 0.467 4.808 4.340 0.002 0.000 0.272 230 R C -0.940 175.354 176.300 -0.011 0.000 1.032 230 R CA -1.078 55.026 56.100 0.007 0.000 0.874 230 R CB 0.589 30.911 30.300 0.036 0.000 1.256 230 R HN -0.136 8.134 8.270 -0.000 0.000 0.468 231 Y N 0.127 120.449 120.300 0.037 0.000 2.301 231 Y HA 0.456 5.007 4.550 0.002 0.000 0.328 231 Y C 1.310 177.264 175.900 0.090 0.000 1.242 231 Y CA 1.052 59.209 58.100 0.095 0.000 1.323 231 Y CB 1.445 39.968 38.460 0.103 0.000 1.266 231 Y HN 0.826 9.106 8.280 -0.000 0.000 0.527 232 G N 1.349 110.312 108.800 0.271 0.000 2.477 232 G HA2 0.441 4.402 3.960 0.002 0.000 0.304 232 G HA3 0.441 4.402 3.960 0.002 0.000 0.304 232 G C -0.907 174.126 174.900 0.222 0.000 1.175 232 G CA -0.650 44.563 45.100 0.189 0.000 0.907 232 G HN 0.462 8.752 8.290 -0.000 0.000 0.509 233 E N -0.541 119.753 120.200 0.157 0.000 2.235 233 E HA 0.455 4.806 4.350 0.002 0.000 0.265 233 E C 1.184 177.854 176.600 0.116 0.000 0.940 233 E CA -0.459 56.031 56.400 0.150 0.000 0.819 233 E CB 1.922 31.689 29.700 0.111 0.000 1.206 233 E HN 0.379 8.739 8.360 -0.000 0.000 0.409 234 A N 2.898 125.781 122.820 0.106 0.000 1.917 234 A HA -0.139 4.182 4.320 0.002 0.000 0.219 234 A C -0.664 176.955 177.584 0.058 0.000 1.182 234 A CA 1.741 53.825 52.037 0.078 0.000 0.633 234 A CB -1.411 17.626 19.000 0.062 0.000 0.819 234 A HN 0.406 8.556 8.150 -0.000 0.000 0.448 235 P HA -0.111 4.309 4.420 -0.000 0.000 0.222 235 P C 0.973 178.289 177.300 0.028 0.000 1.147 235 P CA 1.195 64.313 63.100 0.029 0.000 0.790 235 P CB -0.050 31.667 31.700 0.028 0.000 0.780 236 E N -0.999 119.226 120.200 0.043 0.000 2.208 236 E HA -0.088 4.263 4.350 0.002 0.000 0.193 236 E C 1.644 178.266 176.600 0.037 0.000 0.988 236 E CA 0.674 57.097 56.400 0.040 0.000 0.828 236 E CB -0.263 29.468 29.700 0.052 0.000 0.763 236 E HN 0.242 8.602 8.360 -0.000 0.000 0.478 237 I N 0.875 121.472 120.570 0.045 0.000 2.400 237 I HA -0.080 4.091 4.170 0.002 0.000 0.248 237 I C 2.488 178.600 176.117 -0.008 0.000 1.109 237 I CA 0.680 62.005 61.300 0.042 0.000 1.425 237 I CB -1.209 36.837 38.000 0.078 0.000 1.094 237 I HN -0.027 8.183 8.210 -0.000 0.000 0.425 238 A N 1.178 123.985 122.820 -0.021 0.000 1.940 238 A HA -0.158 4.163 4.320 0.002 0.000 0.219 238 A C 2.535 180.076 177.584 -0.072 0.000 1.176 238 A CA 2.008 53.996 52.037 -0.083 0.000 0.631 238 A CB -0.680 18.287 19.000 -0.055 0.000 0.814 238 A HN 0.406 8.556 8.150 -0.000 0.000 0.446 239 A N -0.704 122.105 122.820 -0.017 0.000 1.930 239 A HA 0.046 4.367 4.320 0.002 0.000 0.217 239 A C 2.180 179.795 177.584 0.052 0.000 1.175 239 A CA 1.743 53.788 52.037 0.014 0.000 0.627 239 A CB -0.689 18.321 19.000 0.017 0.000 0.815 239 A HN 0.402 8.552 8.150 -0.000 0.000 0.443 240 V N -0.631 119.309 119.914 0.044 0.000 2.407 240 V HA -0.156 3.965 4.120 0.002 0.000 0.245 240 V C 2.503 178.660 176.094 0.105 0.000 1.041 240 V CA 1.664 64.031 62.300 0.112 0.000 1.040 240 V CB -0.600 31.273 31.823 0.083 0.000 0.671 240 V HN 0.345 8.535 8.190 -0.000 0.000 0.455 241 V N 0.627 120.503 119.914 -0.064 0.000 2.427 241 V HA -0.222 3.899 4.120 0.002 0.000 0.248 241 V C 2.735 178.742 176.094 -0.145 0.000 1.051 241 V CA 1.892 64.055 62.300 -0.228 0.000 1.048 241 V CB -1.093 30.348 31.823 -0.637 0.000 0.666 241 V HN 0.542 8.732 8.190 -0.000 0.000 0.456 242 A N -0.036 122.740 122.820 -0.074 0.000 1.902 242 A HA -0.239 4.082 4.320 0.002 0.000 0.217 242 A C 2.099 179.838 177.584 0.258 0.000 1.181 242 A CA 2.027 54.089 52.037 0.042 0.000 0.623 242 A CB -0.681 18.344 19.000 0.042 0.000 0.818 242 A HN 0.566 8.716 8.150 -0.000 0.000 0.443 243 F N 0.764 120.756 119.950 0.070 0.000 2.075 243 F HA -0.121 4.407 4.527 0.002 0.000 0.297 243 F C 1.735 177.571 175.800 0.061 0.000 1.113 243 F CA 1.774 59.813 58.000 0.065 0.000 1.218 243 F CB -0.545 38.472 39.000 0.028 0.000 0.984 243 F HN 0.115 8.415 8.300 -0.000 0.000 0.472 244 L N 0.064 121.074 121.223 -0.355 0.000 2.362 244 L HA -0.144 4.197 4.340 0.002 0.000 0.219 244 L C 1.957 178.696 176.870 -0.219 0.000 1.134 244 L CA 0.681 55.252 54.840 -0.448 0.000 0.807 244 L CB -0.498 41.449 42.059 -0.186 0.000 0.927 244 L HN 0.283 8.513 8.230 -0.000 0.000 0.447 245 L N -1.371 119.826 121.223 -0.044 0.000 2.607 245 L HA 0.110 4.451 4.340 0.002 0.000 0.228 245 L C 1.336 178.281 176.870 0.124 0.000 1.123 245 L CA -0.236 54.664 54.840 0.100 0.000 0.890 245 L CB 0.082 42.251 42.059 0.184 0.000 1.103 245 L HN 0.241 8.471 8.230 -0.000 0.000 0.468 246 S N -2.214 113.473 115.700 -0.022 0.000 2.738 246 S HA 0.186 4.657 4.470 0.002 0.000 0.284 246 S C 0.629 175.096 174.600 -0.221 0.000 1.146 246 S CA -0.670 57.355 58.200 -0.292 0.000 0.997 246 S CB 1.307 64.348 63.200 -0.264 0.000 1.081 246 S HN 0.001 8.311 8.310 -0.000 0.000 0.553 247 D N 0.505 120.774 120.400 -0.218 0.000 2.310 247 D HA -0.009 4.632 4.640 0.002 0.000 0.212 247 D C 0.847 177.104 176.300 -0.072 0.000 0.965 247 D CA 0.777 54.703 54.000 -0.124 0.000 0.879 247 D CB -0.375 40.360 40.800 -0.108 0.000 0.921 247 D HN 0.531 8.901 8.370 -0.000 0.000 0.510 248 D N 0.117 120.485 120.400 -0.054 0.000 2.310 248 D HA -0.056 4.585 4.640 0.002 0.000 0.212 248 D C 1.241 177.553 176.300 0.019 0.000 0.965 248 D CA 0.545 54.587 54.000 0.070 0.000 0.879 248 D CB 0.016 40.974 40.800 0.263 0.000 0.921 248 D HN 0.151 8.521 8.370 -0.000 0.000 0.510 249 A N 0.298 122.971 122.820 -0.244 0.000 2.577 249 A HA 0.150 4.471 4.320 0.002 0.000 0.280 249 A C 1.828 179.350 177.584 -0.103 0.000 1.331 249 A CA 0.156 51.997 52.037 -0.326 0.000 0.935 249 A CB -0.221 18.377 19.000 -0.670 0.000 1.082 249 A HN 0.096 8.246 8.150 -0.000 0.000 0.525 250 S N -1.339 114.351 115.700 -0.017 0.000 2.440 250 S HA -0.182 4.289 4.470 0.002 0.000 0.238 250 S C 1.098 175.790 174.600 0.153 0.000 1.010 250 S CA 1.451 59.678 58.200 0.045 0.000 0.972 250 S CB -0.457 62.770 63.200 0.045 0.000 0.774 250 S HN 0.616 8.926 8.310 -0.000 0.000 0.501 251 Y N 1.082 121.376 120.300 -0.009 0.000 2.641 251 Y HA 0.507 5.058 4.550 0.002 0.000 0.248 251 Y C -0.272 175.636 175.900 0.013 0.000 1.170 251 Y CA -1.202 56.902 58.100 0.007 0.000 1.201 251 Y CB 0.697 39.167 38.460 0.017 0.000 1.232 251 Y HN 0.049 8.329 8.280 -0.000 0.000 0.537 252 V N 2.276 122.181 119.914 -0.015 0.000 2.383 252 V HA 0.355 4.476 4.120 0.002 0.000 0.275 252 V C -0.514 175.527 176.094 -0.088 0.000 1.036 252 V CA -0.450 61.820 62.300 -0.050 0.000 0.889 252 V CB 1.148 32.966 31.823 -0.008 0.000 0.985 252 V HN 0.343 8.533 8.190 -0.000 0.000 0.459 253 N N 2.990 121.626 118.700 -0.107 0.000 2.331 253 N HA 0.617 5.358 4.740 0.002 0.000 0.280 253 N C 0.053 175.531 175.510 -0.053 0.000 1.155 253 N CA 0.219 53.222 53.050 -0.078 0.000 0.822 253 N CB 1.972 40.394 38.487 -0.108 0.000 1.619 253 N HN 0.930 9.310 8.380 -0.000 0.000 0.476 254 A N -0.006 122.801 122.820 -0.020 0.000 2.861 254 A HA -0.177 4.144 4.320 0.002 0.000 0.261 254 A C 0.499 178.081 177.584 -0.005 0.000 1.351 254 A CA 1.830 53.863 52.037 -0.006 0.000 0.904 254 A CB -2.916 16.079 19.000 -0.009 0.000 1.076 254 A HN 1.089 9.239 8.150 -0.000 0.000 0.729 255 T N -2.768 111.784 114.554 -0.003 0.000 2.902 255 T HA 0.672 5.023 4.350 0.002 0.000 0.280 255 T C -0.139 174.569 174.700 0.014 0.000 0.992 255 T CA -0.208 61.897 62.100 0.008 0.000 1.015 255 T CB 2.065 70.945 68.868 0.021 0.000 1.044 255 T HN 1.123 9.363 8.240 -0.000 0.000 0.520 256 V N 1.882 121.806 119.914 0.016 0.000 2.407 256 V HA 0.439 4.560 4.120 0.002 0.000 0.291 256 V C -0.411 175.701 176.094 0.029 0.000 1.018 256 V CA -0.878 61.430 62.300 0.014 0.000 0.842 256 V CB 1.635 33.455 31.823 -0.006 0.000 0.996 256 V HN 0.871 9.061 8.190 -0.000 0.000 0.426 257 V N 7.676 127.617 119.914 0.044 0.000 2.311 257 V HA 0.353 4.474 4.120 0.002 0.000 0.275 257 V C -2.342 173.782 176.094 0.049 0.000 1.022 257 V CA -1.868 60.466 62.300 0.057 0.000 0.830 257 V CB 1.491 33.368 31.823 0.091 0.000 1.012 257 V HN 0.702 8.892 8.190 -0.000 0.000 0.452 258 P HA 0.383 4.803 4.420 -0.000 0.000 0.275 258 P C -0.426 176.900 177.300 0.043 0.000 1.227 258 P CA -0.021 63.102 63.100 0.039 0.000 0.781 258 P CB 0.659 32.377 31.700 0.030 0.000 0.906 259 I N 3.055 123.656 120.570 0.052 0.000 2.782 259 I HA 0.223 4.394 4.170 0.002 0.000 0.279 259 I C -0.160 175.992 176.117 0.059 0.000 1.247 259 I CA -0.104 61.228 61.300 0.053 0.000 1.062 259 I CB 0.861 38.899 38.000 0.063 0.000 1.421 259 I HN 0.313 8.523 8.210 -0.000 0.000 0.558 260 D N 2.226 122.653 120.400 0.045 0.000 2.636 260 D HA 0.160 4.801 4.640 0.002 0.000 0.270 260 D C 1.129 177.440 176.300 0.018 0.000 1.430 260 D CA 0.083 54.109 54.000 0.043 0.000 0.796 260 D CB 0.593 41.419 40.800 0.044 0.000 1.117 260 D HN 0.514 8.884 8.370 -0.000 0.000 0.480 261 G N 0.143 108.953 108.800 0.015 0.000 2.189 261 G HA2 -0.128 3.833 3.960 0.002 0.000 0.267 261 G HA3 -0.128 3.833 3.960 0.002 0.000 0.267 261 G C 1.250 176.146 174.900 -0.007 0.000 0.975 261 G CA 0.751 45.851 45.100 0.000 0.000 0.644 261 G HN 1.529 9.819 8.290 -0.000 0.000 0.537 262 G N -1.131 107.668 108.800 -0.002 0.000 2.179 262 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 262 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 262 G C 0.791 175.686 174.900 -0.008 0.000 0.990 262 G CA 1.243 46.342 45.100 -0.003 0.000 0.646 262 G HN 1.121 9.411 8.290 -0.000 0.000 0.517 263 Q N 1.031 120.820 119.800 -0.018 0.000 2.119 263 Q HA -0.061 4.280 4.340 0.002 0.000 0.201 263 Q C 2.772 178.762 176.000 -0.017 0.000 0.972 263 Q CA 2.362 58.145 55.803 -0.034 0.000 0.847 263 Q CB -0.177 28.522 28.738 -0.065 0.000 0.903 263 Q HN 0.891 9.161 8.270 -0.000 0.000 0.433 264 S N -0.688 115.013 115.700 0.003 0.000 2.447 264 S HA -0.039 4.432 4.470 0.002 0.000 0.233 264 S C 1.810 176.423 174.600 0.022 0.000 1.006 264 S CA 0.782 58.991 58.200 0.014 0.000 0.957 264 S CB -0.074 63.140 63.200 0.023 0.000 0.773 264 S HN 0.425 8.735 8.310 -0.000 0.000 0.507 265 A N 0.986 123.819 122.820 0.021 0.000 2.178 265 A HA 0.719 5.040 4.320 0.002 0.000 0.211 265 A C 1.174 178.784 177.584 0.043 0.000 1.157 265 A CA 0.327 52.382 52.037 0.030 0.000 0.780 265 A CB -0.596 18.418 19.000 0.023 0.000 0.828 265 A HN 0.769 8.919 8.150 -0.000 0.000 0.476 266 A N -0.602 122.237 122.820 0.031 0.000 2.354 266 A HA 0.516 4.836 4.320 0.002 0.000 0.269 266 A C -0.114 177.513 177.584 0.073 0.000 1.109 266 A CA -0.401 51.661 52.037 0.042 0.000 0.800 266 A CB -0.019 18.983 19.000 0.002 0.000 1.045 266 A HN 0.450 8.600 8.150 -0.000 0.000 0.489 267 Y N 0.000 120.291 120.300 -0.015 0.000 2.660 267 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 267 Y CA 0.000 58.093 58.100 -0.012 0.000 1.940 267 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 267 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758