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 1sou_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLKSELRKKV LHKRINLSEE ERRRLSEKVI SNLKSLPEFK KSKKVALYCP DATA SEQUENCE IKGEVDLTPL FPEVLKEKEL ILPKVEGNEI SLYRVHSPAC LGVGAFGIME DATA SEQUENCE PVEGERVNPE DVDFIAVPGV AFDLEGYRLG FGKGYYDRLL KRVKGLKVGV DATA SEQUENCE AYSFQVFERL PRDAWDIPVD VLVTEKNVRR LRDGRSLEHH HHHH 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 1 M HA 0.000 4.443 4.480 -0.061 0.000 0.227 1 M C 0.000 176.261 176.300 -0.064 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 1 M CB 0.000 32.553 32.600 -0.078 0.000 1.302 2 L N 1.389 122.569 121.223 -0.072 0.000 2.592 2 L HA 0.208 4.510 4.340 -0.064 0.000 0.227 2 L C 1.012 177.834 176.870 -0.081 0.000 1.127 2 L CA -0.167 54.629 54.840 -0.073 0.000 0.884 2 L CB -0.196 41.815 42.059 -0.080 0.000 1.065 2 L HN 0.297 8.481 8.230 -0.077 0.000 0.457 3 K N -0.219 120.131 120.400 -0.084 0.000 2.020 3 K HA -0.465 3.794 4.320 -0.101 0.000 0.212 3 K C 1.260 177.811 176.600 -0.081 0.000 1.050 3 K CA 3.335 59.567 56.287 -0.091 0.000 0.929 3 K CB -0.767 31.675 32.500 -0.096 0.000 0.714 3 K HN 0.336 8.440 8.250 -0.082 0.096 0.443 4 S N -1.453 114.208 115.700 -0.066 0.000 2.371 4 S HA -0.224 4.214 4.470 -0.054 0.000 0.224 4 S C 1.863 176.435 174.600 -0.047 0.000 1.029 4 S CA 3.157 61.326 58.200 -0.052 0.000 0.978 4 S CB -0.535 62.640 63.200 -0.042 0.000 0.833 4 S HN 0.178 8.449 8.310 -0.064 0.000 0.466 5 E N 2.597 122.767 120.200 -0.050 0.000 2.107 5 E HA -0.210 4.117 4.350 -0.037 0.000 0.191 5 E C 1.855 178.427 176.600 -0.047 0.000 0.982 5 E CA 2.742 59.115 56.400 -0.045 0.000 0.809 5 E CB -0.464 29.208 29.700 -0.048 0.000 0.756 5 E HN -0.211 8.117 8.360 -0.054 0.000 0.459 6 L N -0.377 120.808 121.223 -0.063 0.000 2.093 6 L HA -0.285 4.017 4.340 -0.064 0.000 0.208 6 L C 1.714 178.555 176.870 -0.049 0.000 1.085 6 L CA 3.007 57.805 54.840 -0.071 0.000 0.755 6 L CB -0.195 41.798 42.059 -0.109 0.000 0.904 6 L HN 0.416 8.604 8.230 -0.071 0.000 0.435 7 R N -1.762 118.700 120.500 -0.064 0.000 2.081 7 R HA -0.471 3.816 4.340 -0.089 0.000 0.235 7 R C 2.365 178.653 176.300 -0.020 0.000 1.131 7 R CA 4.013 60.071 56.100 -0.070 0.000 0.960 7 R CB -0.354 29.888 30.300 -0.097 0.000 0.856 7 R HN -0.417 7.809 8.270 -0.073 0.000 0.436 8 K N -0.424 119.970 120.400 -0.009 0.000 2.001 8 K HA -0.230 4.111 4.320 0.034 0.000 0.208 8 K C 2.027 178.656 176.600 0.048 0.000 1.048 8 K CA 2.708 59.006 56.287 0.020 0.000 0.932 8 K CB -0.341 32.160 32.500 0.001 0.000 0.715 8 K HN -0.408 7.728 8.250 -0.025 0.099 0.437 9 K N -2.054 118.361 120.400 0.026 0.000 2.147 9 K HA -0.253 4.080 4.320 0.022 0.000 0.205 9 K C 2.525 179.188 176.600 0.106 0.000 1.049 9 K CA 3.151 59.463 56.287 0.042 0.000 0.936 9 K CB -0.473 32.033 32.500 0.011 0.000 0.722 9 K HN -0.080 8.171 8.250 0.002 0.000 0.446 10 V N 0.200 120.178 119.914 0.106 0.000 2.407 10 V HA -0.321 3.902 4.120 0.171 0.000 0.245 10 V C 1.712 177.878 176.094 0.121 0.000 1.041 10 V CA 3.315 65.702 62.300 0.145 0.000 1.040 10 V CB 0.141 32.072 31.823 0.181 0.000 0.671 10 V HN -0.858 7.362 8.190 0.072 0.013 0.455 11 L N 0.171 121.453 121.223 0.099 0.000 2.131 11 L HA -0.413 3.980 4.340 0.088 0.000 0.210 11 L C 0.829 177.759 176.870 0.100 0.000 1.092 11 L CA 2.971 57.866 54.840 0.092 0.000 0.759 11 L CB -0.588 41.518 42.059 0.078 0.000 0.903 11 L HN -0.249 7.958 8.230 0.080 0.071 0.435 12 H N 0.383 119.468 119.070 0.026 0.000 2.352 12 H HA -0.311 4.254 4.556 0.015 0.000 0.299 12 H C 1.012 176.341 175.328 0.002 0.000 1.097 12 H CA 4.170 60.227 56.048 0.014 0.000 1.311 12 H CB 0.224 29.992 29.762 0.011 0.000 1.377 12 H HN -0.053 8.336 8.280 0.210 0.018 0.504 13 K N -1.917 118.507 120.400 0.040 0.000 2.243 13 K HA -0.106 4.132 4.320 -0.138 0.000 0.201 13 K C 1.397 177.943 176.600 -0.089 0.000 1.051 13 K CA 0.895 57.151 56.287 -0.052 0.000 0.970 13 K CB -0.135 32.374 32.500 0.015 0.000 0.755 13 K HN -0.555 7.782 8.250 0.145 0.000 0.465 14 R N -0.742 119.747 120.500 -0.017 0.000 2.091 14 R HA -0.255 4.078 4.340 -0.010 0.000 0.238 14 R C 2.379 178.661 176.300 -0.030 0.000 1.136 14 R CA 3.087 59.190 56.100 0.005 0.000 0.959 14 R CB 0.044 30.394 30.300 0.084 0.000 0.856 14 R HN -0.186 8.000 8.270 0.032 0.103 0.437 15 I N -9.471 111.073 120.570 -0.042 0.000 3.684 15 I HA 0.075 4.232 4.170 -0.022 0.000 0.304 15 I C -0.479 175.572 176.117 -0.109 0.000 1.278 15 I CA 0.583 61.852 61.300 -0.051 0.000 1.272 15 I CB -0.185 37.798 38.000 -0.029 0.000 1.029 15 I HN -0.354 7.832 8.210 -0.041 0.000 0.458 16 N N -0.557 118.048 118.700 -0.158 0.000 2.415 16 N HA -0.105 4.535 4.740 -0.168 0.000 0.176 16 N C 0.449 175.857 175.510 -0.170 0.000 1.042 16 N CA 0.952 53.893 53.050 -0.181 0.000 0.902 16 N CB 1.330 39.684 38.487 -0.223 0.000 0.986 16 N HN -0.535 7.528 8.380 -0.154 0.224 0.447 17 L N 0.002 121.106 121.223 -0.197 0.000 2.525 17 L HA -0.147 4.028 4.340 -0.275 0.000 0.278 17 L C -0.670 176.098 176.870 -0.170 0.000 1.218 17 L CA 0.865 55.559 54.840 -0.242 0.000 0.878 17 L CB -0.018 41.842 42.059 -0.333 0.000 1.127 17 L HN -0.911 7.172 8.230 -0.188 0.034 0.492 18 S N 2.314 117.920 115.700 -0.157 0.000 2.585 18 S HA 0.079 4.495 4.470 -0.090 0.000 0.277 18 S C 1.111 175.658 174.600 -0.088 0.000 1.241 18 S CA -1.438 56.699 58.200 -0.104 0.000 1.041 18 S CB 1.439 64.586 63.200 -0.088 0.000 0.987 18 S HN 0.351 8.550 8.310 -0.185 0.000 0.512 19 E N 6.736 126.901 120.200 -0.058 0.000 2.209 19 E HA -0.302 4.029 4.350 -0.033 0.000 0.196 19 E C 1.947 178.530 176.600 -0.030 0.000 0.993 19 E CA 2.923 59.302 56.400 -0.036 0.000 0.819 19 E CB -0.370 29.316 29.700 -0.024 0.000 0.745 19 E HN 0.699 9.027 8.360 -0.053 0.000 0.477 20 E N -0.203 119.976 120.200 -0.035 0.000 2.013 20 E HA -0.382 3.957 4.350 -0.018 0.000 0.202 20 E C 2.234 178.821 176.600 -0.022 0.000 1.018 20 E CA 3.026 59.410 56.400 -0.026 0.000 0.834 20 E CB -0.573 29.109 29.700 -0.030 0.000 0.770 20 E HN -0.687 7.613 8.360 -0.043 0.035 0.459 21 E N -0.660 119.517 120.200 -0.038 0.000 2.072 21 E HA -0.248 4.100 4.350 -0.004 0.000 0.190 21 E C 2.104 178.688 176.600 -0.026 0.000 0.982 21 E CA 2.104 58.487 56.400 -0.029 0.000 0.803 21 E CB -0.075 29.594 29.700 -0.052 0.000 0.755 21 E HN -0.416 7.911 8.360 -0.056 0.000 0.453 22 R N -0.582 119.875 120.500 -0.072 0.000 2.080 22 R HA -0.377 3.860 4.340 -0.172 0.000 0.236 22 R C 2.252 178.594 176.300 0.069 0.000 1.137 22 R CA 3.536 59.596 56.100 -0.065 0.000 0.943 22 R CB 0.021 30.269 30.300 -0.086 0.000 0.846 22 R HN 0.229 8.445 8.270 -0.090 0.000 0.431 23 R N -2.165 118.359 120.500 0.040 0.000 2.120 23 R HA -0.198 4.326 4.340 0.064 -0.146 0.234 23 R C 2.816 179.149 176.300 0.054 0.000 1.123 23 R CA 2.273 58.402 56.100 0.048 0.000 0.975 23 R CB -0.645 29.665 30.300 0.018 0.000 0.866 23 R HN 0.146 8.298 8.270 0.009 0.123 0.446 24 R N -0.925 119.604 120.500 0.048 0.000 2.090 24 R HA -0.200 4.160 4.340 0.034 0.000 0.228 24 R C 2.658 179.003 176.300 0.076 0.000 1.110 24 R CA 2.272 58.400 56.100 0.047 0.000 0.973 24 R CB -0.623 29.697 30.300 0.034 0.000 0.869 24 R HN -0.661 7.612 8.270 0.035 0.018 0.440 25 L N -0.860 120.440 121.223 0.128 0.000 2.109 25 L HA -0.244 4.180 4.340 0.140 0.000 0.207 25 L C 2.037 179.025 176.870 0.197 0.000 1.086 25 L CA 2.812 57.774 54.840 0.204 0.000 0.760 25 L CB -0.642 41.632 42.059 0.357 0.000 0.910 25 L HN 0.117 8.339 8.230 0.117 0.078 0.437 26 S N -0.156 115.668 115.700 0.208 0.000 2.383 26 S HA -0.439 4.067 4.470 0.061 0.000 0.229 26 S C 1.795 176.416 174.600 0.035 0.000 1.030 26 S CA 4.100 62.364 58.200 0.107 0.000 1.002 26 S CB -0.388 62.879 63.200 0.112 0.000 0.829 26 S HN 0.477 8.822 8.310 0.234 0.105 0.467 27 E N 1.642 121.863 120.200 0.036 0.000 2.085 27 E HA -0.424 3.924 4.350 -0.003 0.000 0.194 27 E C 1.820 178.418 176.600 -0.003 0.000 0.994 27 E CA 3.143 59.548 56.400 0.009 0.000 0.801 27 E CB -0.346 29.362 29.700 0.013 0.000 0.743 27 E HN -0.324 7.986 8.360 0.056 0.084 0.453 28 K N -1.271 119.136 120.400 0.011 0.000 2.057 28 K HA -0.243 4.070 4.320 -0.011 0.000 0.207 28 K C 2.685 179.267 176.600 -0.029 0.000 1.049 28 K CA 2.698 58.982 56.287 -0.004 0.000 0.931 28 K CB -0.336 32.172 32.500 0.014 0.000 0.714 28 K HN -0.674 7.514 8.250 0.034 0.083 0.440 29 V N 0.752 120.644 119.914 -0.035 0.000 2.343 29 V HA -0.342 3.731 4.120 -0.078 0.000 0.247 29 V C 2.495 178.538 176.094 -0.086 0.000 1.051 29 V CA 3.870 66.125 62.300 -0.074 0.000 1.036 29 V CB -0.766 30.991 31.823 -0.111 0.000 0.654 29 V HN -0.104 8.080 8.190 -0.010 0.000 0.451 30 I N 0.346 120.872 120.570 -0.073 0.000 2.127 30 I HA -0.675 3.426 4.170 -0.116 0.000 0.241 30 I C 1.980 178.026 176.117 -0.119 0.000 1.075 30 I CA 4.819 66.063 61.300 -0.094 0.000 1.334 30 I CB -0.483 37.482 38.000 -0.059 0.000 1.040 30 I HN 0.475 8.547 8.210 -0.050 0.108 0.405 31 S N -0.785 114.867 115.700 -0.080 0.000 2.370 31 S HA -0.461 3.963 4.470 -0.077 0.000 0.226 31 S C 1.636 176.181 174.600 -0.092 0.000 1.033 31 S CA 4.455 62.610 58.200 -0.074 0.000 1.011 31 S CB -0.268 62.906 63.200 -0.043 0.000 0.852 31 S HN 0.290 8.458 8.310 -0.057 0.107 0.457 32 N N 1.573 120.222 118.700 -0.085 0.000 2.058 32 N HA -0.312 4.390 4.740 -0.064 0.000 0.191 32 N C 2.004 177.442 175.510 -0.121 0.000 1.037 32 N CA 3.025 56.026 53.050 -0.081 0.000 0.848 32 N CB 0.318 38.766 38.487 -0.065 0.000 1.021 32 N HN -0.156 8.073 8.380 -0.074 0.107 0.422 33 L N -0.426 120.695 121.223 -0.170 0.000 2.083 33 L HA -0.328 3.921 4.340 -0.152 0.000 0.209 33 L C 0.450 176.993 176.870 -0.546 0.000 1.083 33 L CA 2.894 57.571 54.840 -0.272 0.000 0.752 33 L CB 0.022 41.920 42.059 -0.267 0.000 0.899 33 L HN 0.161 8.194 8.230 -0.149 0.108 0.433 34 K N -5.103 115.004 120.400 -0.489 0.000 2.296 34 K HA -0.175 3.555 4.320 -0.983 0.000 0.200 34 K C 1.158 177.659 176.600 -0.166 0.000 1.048 34 K CA 1.833 57.829 56.287 -0.485 0.000 0.966 34 K CB 0.271 32.608 32.500 -0.271 0.000 0.754 34 K HN -0.025 8.009 8.250 -0.332 0.016 0.466 35 S N -2.009 113.617 115.700 -0.123 0.000 2.501 35 S HA -0.047 4.410 4.470 -0.021 0.000 0.220 35 S C 0.437 175.026 174.600 -0.019 0.000 0.997 35 S CA 1.203 59.376 58.200 -0.046 0.000 0.919 35 S CB 0.712 63.887 63.200 -0.041 0.000 0.778 35 S HN -0.527 7.543 8.310 -0.152 0.149 0.523 36 L N 2.325 123.527 121.223 -0.035 0.000 2.615 36 L HA -0.037 4.313 4.340 0.017 0.000 0.271 36 L C -0.668 176.235 176.870 0.054 0.000 1.183 36 L CA -0.608 54.241 54.840 0.015 0.000 0.933 36 L CB -0.519 41.558 42.059 0.030 0.000 1.199 36 L HN -0.910 7.132 8.230 -0.095 0.131 0.487 37 P HA -0.178 4.263 4.420 0.036 0.000 0.222 37 P C 0.890 178.213 177.300 0.039 0.000 1.147 37 P CA 2.093 65.216 63.100 0.038 0.000 0.790 37 P CB 0.165 31.881 31.700 0.026 0.000 0.780 38 E N -2.731 117.504 120.200 0.058 0.000 2.285 38 E HA -0.170 4.203 4.350 0.037 0.000 0.194 38 E C 1.950 178.556 176.600 0.010 0.000 0.997 38 E CA 2.127 58.563 56.400 0.060 0.000 0.845 38 E CB -0.610 29.162 29.700 0.120 0.000 0.782 38 E HN 0.448 8.809 8.360 0.071 0.042 0.491 39 F N 0.712 120.538 119.950 -0.207 0.000 2.407 39 F HA -0.213 3.952 4.527 -0.603 0.000 0.299 39 F C 0.261 175.927 175.800 -0.224 0.000 1.097 39 F CA 2.229 59.984 58.000 -0.407 0.000 1.422 39 F CB 0.425 39.123 39.000 -0.502 0.000 1.067 39 F HN -0.299 7.921 8.300 0.111 0.146 0.539 40 K N -1.704 118.665 120.400 -0.051 0.000 2.217 40 K HA -0.354 3.911 4.320 -0.093 0.000 0.202 40 K C 1.434 177.960 176.600 -0.125 0.000 1.051 40 K CA 2.724 58.965 56.287 -0.076 0.000 0.952 40 K CB 0.042 32.541 32.500 -0.003 0.000 0.736 40 K HN -0.518 7.607 8.250 0.037 0.147 0.453 41 K N -1.957 118.378 120.400 -0.107 0.000 2.202 41 K HA -0.060 4.216 4.320 -0.073 0.000 0.201 41 K C 0.244 176.777 176.600 -0.111 0.000 1.051 41 K CA 0.890 57.128 56.287 -0.082 0.000 0.977 41 K CB 0.480 32.959 32.500 -0.034 0.000 0.792 41 K HN -0.843 7.205 8.250 -0.086 0.151 0.469 42 S N 0.583 116.192 115.700 -0.152 0.000 2.546 42 S HA -0.225 4.214 4.470 -0.051 0.000 0.290 42 S C -0.439 174.036 174.600 -0.210 0.000 1.262 42 S CA 2.106 60.224 58.200 -0.138 0.000 1.083 42 S CB -0.126 63.008 63.200 -0.111 0.000 0.859 42 S HN -0.242 7.971 8.310 -0.162 0.000 0.495 43 K N 5.173 125.504 120.400 -0.114 0.000 2.168 43 K HA -0.132 4.108 4.320 -0.132 0.000 0.201 43 K C 0.081 176.626 176.600 -0.092 0.000 1.049 43 K CA 1.890 58.115 56.287 -0.104 0.000 0.974 43 K CB 0.807 33.272 32.500 -0.058 0.000 0.792 43 K HN -0.059 8.336 8.250 -0.065 -0.183 0.463 44 K N -0.059 120.309 120.400 -0.053 0.000 2.268 44 K HA 0.175 4.467 4.320 -0.046 0.000 0.276 44 K C -1.567 175.045 176.600 0.021 0.000 1.080 44 K CA -1.543 54.728 56.287 -0.027 0.000 0.910 44 K CB -0.144 32.349 32.500 -0.013 0.000 1.163 44 K HN -0.160 8.418 8.250 -0.036 -0.349 0.465 45 V N 6.007 125.930 119.914 0.017 0.000 2.294 45 V HA 0.510 4.968 4.120 0.240 -0.195 0.272 45 V C -1.416 174.761 176.094 0.138 0.000 1.027 45 V CA -1.643 60.731 62.300 0.123 0.000 0.823 45 V CB -0.609 31.260 31.823 0.076 0.000 1.030 45 V HN 0.233 8.412 8.190 -0.019 0.000 0.457 46 A N 8.803 131.717 122.820 0.156 0.000 2.305 46 A HA 0.905 5.411 4.320 0.082 -0.136 0.322 46 A C -2.080 175.591 177.584 0.145 0.000 1.187 46 A CA -2.091 50.012 52.037 0.111 0.000 0.825 46 A CB 2.798 21.840 19.000 0.071 0.000 1.164 46 A HN 1.107 9.371 8.150 0.190 0.000 0.498 47 L N 1.556 122.867 121.223 0.147 0.000 2.333 47 L HA 0.445 5.019 4.340 0.183 -0.125 0.269 47 L C -0.162 176.858 176.870 0.251 0.000 1.010 47 L CA -0.593 54.365 54.840 0.197 0.000 0.818 47 L CB 3.155 45.366 42.059 0.252 0.000 1.306 47 L HN 0.297 8.593 8.230 0.111 0.000 0.430 48 Y N 4.286 124.634 120.300 0.080 0.000 2.433 48 Y HA -0.096 4.470 4.550 0.026 0.000 0.250 48 Y C -0.601 175.326 175.900 0.045 0.000 1.027 48 Y CA 1.594 59.717 58.100 0.038 0.000 1.040 48 Y CB 1.234 39.699 38.460 0.008 0.000 1.033 48 Y HN 0.002 8.458 8.280 0.294 0.000 0.469 49 C N -2.482 116.924 119.300 0.178 0.000 3.259 49 C HA 0.134 4.691 4.460 0.163 0.000 0.451 49 C C -2.458 172.573 174.990 0.069 0.000 0.923 49 C CA -1.676 57.396 59.018 0.090 0.000 1.168 49 C CB 2.689 30.414 27.740 -0.024 0.000 1.590 49 C HN -0.245 8.136 8.230 0.252 0.000 0.644 50 P HA 0.279 4.872 4.420 0.091 -0.118 0.291 50 P C -1.446 175.883 177.300 0.049 0.000 1.340 50 P CA -0.397 62.747 63.100 0.073 0.000 0.799 50 P CB -0.421 31.316 31.700 0.062 0.000 0.917 51 I N -0.597 120.003 120.570 0.050 0.000 4.046 51 I HA 0.298 4.486 4.170 0.031 0.000 0.285 51 I C 0.035 176.186 176.117 0.056 0.000 1.183 51 I CA -0.050 61.273 61.300 0.039 0.000 1.337 51 I CB 1.238 39.248 38.000 0.018 0.000 1.478 51 I HN 0.848 9.530 8.210 0.066 -0.433 0.452 52 K N 0.010 120.459 120.400 0.081 0.000 2.159 52 K HA 0.147 4.508 4.320 0.068 0.000 0.210 52 K C 0.474 177.129 176.600 0.092 0.000 1.026 52 K CA 0.832 57.172 56.287 0.088 0.000 0.959 52 K CB 1.245 33.816 32.500 0.117 0.000 0.890 52 K HN 0.317 8.997 8.250 0.094 -0.373 0.459 53 G N -2.451 106.431 108.800 0.136 0.000 4.988 53 G HA2 0.174 4.207 3.960 0.122 0.000 0.227 53 G HA3 0.174 4.344 3.960 0.131 -0.132 0.227 53 G C -1.747 173.318 174.900 0.277 0.000 0.955 53 G CA -0.365 44.829 45.100 0.158 0.000 0.784 53 G HN -0.040 8.348 8.290 0.164 0.000 0.537 54 E N -1.317 119.031 120.200 0.248 0.000 3.552 54 E HA 0.160 4.669 4.350 0.266 0.000 0.264 54 E C -0.922 175.823 176.600 0.243 0.000 1.170 54 E CA -1.530 55.013 56.400 0.238 0.000 1.313 54 E CB 1.715 31.515 29.700 0.166 0.000 1.522 54 E HN -0.453 8.019 8.360 0.185 0.000 0.653 55 V N -0.365 119.583 119.914 0.057 0.000 2.472 55 V HA 0.082 4.270 4.120 0.113 0.000 0.290 55 V C -0.065 176.054 176.094 0.041 0.000 1.037 55 V CA -1.483 60.813 62.300 -0.007 0.000 0.908 55 V CB 1.530 33.238 31.823 -0.191 0.000 0.985 55 V HN 0.170 8.388 8.190 0.045 0.000 0.454 56 D N 7.460 127.894 120.400 0.057 0.000 2.541 56 D HA -0.094 4.542 4.640 -0.008 0.000 0.231 56 D C -0.368 175.907 176.300 -0.041 0.000 1.163 56 D CA 1.294 55.296 54.000 0.004 0.000 1.077 56 D CB -1.663 39.143 40.800 0.010 0.000 1.110 56 D HN 0.164 8.599 8.370 0.108 0.000 0.499 57 L N 0.199 121.395 121.223 -0.045 0.000 2.567 57 L HA 0.095 4.415 4.340 -0.033 0.000 0.225 57 L C 1.655 178.400 176.870 -0.208 0.000 1.119 57 L CA 0.574 55.391 54.840 -0.039 0.000 0.871 57 L CB 0.001 42.099 42.059 0.065 0.000 1.036 57 L HN 0.075 8.246 8.230 -0.018 0.048 0.459 58 T N 1.321 115.645 114.554 -0.384 0.000 2.684 58 T HA -0.191 3.075 4.350 -1.806 0.000 0.267 58 T C -0.353 173.855 174.700 -0.820 0.000 1.036 58 T CA 5.202 66.751 62.100 -0.918 0.000 1.148 58 T CB -2.655 65.912 68.868 -0.502 0.000 0.863 58 T HN 0.203 8.241 8.240 -0.224 0.068 0.436 59 P HA 0.037 4.357 4.420 -0.166 0.000 0.234 59 P C -0.346 176.904 177.300 -0.084 0.000 1.167 59 P CA 1.279 64.272 63.100 -0.178 0.000 0.763 59 P CB -0.638 31.003 31.700 -0.098 0.000 0.835 60 L N -2.753 118.428 121.223 -0.070 0.000 2.558 60 L HA 0.175 4.773 4.340 0.055 -0.224 0.225 60 L C 0.426 177.449 176.870 0.255 0.000 1.128 60 L CA -0.517 54.369 54.840 0.077 0.000 0.868 60 L CB 0.063 42.167 42.059 0.075 0.000 1.006 60 L HN -0.587 7.338 8.230 -0.174 0.200 0.454 61 F N 0.088 120.072 119.950 0.056 0.000 2.065 61 F HA -0.194 4.382 4.527 0.083 0.000 0.298 61 F C -1.061 174.776 175.800 0.062 0.000 1.112 61 F CA 3.743 61.783 58.000 0.066 0.000 1.212 61 F CB -3.905 35.128 39.000 0.056 0.000 0.975 61 F HN -0.366 7.911 8.300 0.064 0.061 0.476 62 P HA -0.270 4.228 4.420 0.130 0.000 0.216 62 P C 1.700 179.069 177.300 0.115 0.000 1.153 62 P CA 3.397 66.582 63.100 0.141 0.000 0.858 62 P CB -0.407 31.351 31.700 0.096 0.000 0.789 63 E N -3.503 116.771 120.200 0.122 0.000 2.072 63 E HA -0.285 4.113 4.350 0.080 0.000 0.191 63 E C 2.328 179.007 176.600 0.132 0.000 0.985 63 E CA 3.339 59.804 56.400 0.108 0.000 0.801 63 E CB -0.879 28.883 29.700 0.103 0.000 0.750 63 E HN -0.629 7.802 8.360 0.131 0.008 0.452 64 V N 0.221 120.242 119.914 0.178 0.000 2.295 64 V HA -0.410 3.822 4.120 0.187 0.000 0.246 64 V C 2.008 178.172 176.094 0.115 0.000 1.049 64 V CA 3.858 66.262 62.300 0.174 0.000 1.024 64 V CB -0.592 31.356 31.823 0.209 0.000 0.648 64 V HN -0.154 8.087 8.190 0.207 0.073 0.447 65 L N -2.653 118.637 121.223 0.113 0.000 2.127 65 L HA -0.328 4.102 4.340 0.150 0.000 0.211 65 L C 2.311 179.203 176.870 0.036 0.000 1.089 65 L CA 2.720 57.621 54.840 0.102 0.000 0.757 65 L CB -0.775 41.337 42.059 0.089 0.000 0.899 65 L HN 0.398 8.708 8.230 0.134 0.000 0.434 66 K N -2.906 117.509 120.400 0.025 0.000 2.026 66 K HA -0.226 4.065 4.320 -0.049 0.000 0.208 66 K C 1.152 177.718 176.600 -0.057 0.000 1.048 66 K CA 2.132 58.407 56.287 -0.021 0.000 0.929 66 K CB -0.037 32.468 32.500 0.008 0.000 0.713 66 K HN -0.601 7.572 8.250 0.058 0.112 0.439 67 E N -3.539 116.652 120.200 -0.016 0.000 2.121 67 E HA 0.046 4.365 4.350 -0.051 0.000 0.194 67 E C 0.789 177.377 176.600 -0.020 0.000 0.940 67 E CA 0.893 57.275 56.400 -0.031 0.000 0.884 67 E CB 1.146 30.838 29.700 -0.013 0.000 0.874 67 E HN -0.462 7.818 8.360 0.023 0.094 0.471 68 K N -0.879 119.524 120.400 0.005 0.000 2.450 68 K HA 0.381 4.730 4.320 0.049 0.000 0.248 68 K C -1.346 175.347 176.600 0.155 0.000 1.056 68 K CA -1.735 54.566 56.287 0.023 0.000 0.974 68 K CB 2.313 34.722 32.500 -0.153 0.000 1.334 68 K HN -0.259 7.997 8.250 0.011 0.000 0.516 69 E N -0.792 119.436 120.200 0.048 0.000 2.115 69 E HA 0.180 4.522 4.350 -0.013 0.000 0.282 69 E C -0.750 175.832 176.600 -0.030 0.000 0.987 69 E CA -0.662 55.707 56.400 -0.051 0.000 0.797 69 E CB 0.514 30.094 29.700 -0.200 0.000 1.086 69 E HN -0.303 8.048 8.360 -0.014 0.000 0.397 70 L N 7.238 128.451 121.223 -0.016 0.000 2.369 70 L HA 0.197 4.666 4.340 -0.020 -0.141 0.279 70 L C -1.676 175.149 176.870 -0.075 0.000 1.108 70 L CA 0.192 54.998 54.840 -0.057 0.000 0.852 70 L CB 0.849 42.828 42.059 -0.134 0.000 1.169 70 L HN -0.156 8.086 8.230 0.020 0.000 0.452 71 I N 7.456 128.003 120.570 -0.038 0.000 2.378 71 I HA 0.585 4.970 4.170 -0.011 -0.222 0.291 71 I C -1.422 174.699 176.117 0.007 0.000 0.992 71 I CA -1.088 60.206 61.300 -0.009 0.000 1.154 71 I CB 1.490 39.498 38.000 0.012 0.000 1.315 71 I HN 0.916 9.020 8.210 -0.008 0.101 0.448 72 L N 5.578 126.813 121.223 0.020 0.000 2.341 72 L HA 0.809 5.183 4.340 0.057 0.000 0.267 72 L C -2.251 174.678 176.870 0.098 0.000 1.009 72 L CA -3.916 50.947 54.840 0.039 0.000 0.819 72 L CB 2.842 44.887 42.059 -0.024 0.000 1.323 72 L HN 0.178 8.430 8.230 0.036 0.000 0.425 73 P HA 0.147 4.782 4.420 0.162 -0.119 0.276 73 P C -1.561 175.794 177.300 0.092 0.000 1.243 73 P CA -0.845 62.335 63.100 0.133 0.000 0.768 73 P CB 0.149 31.937 31.700 0.148 0.000 0.856 74 K N 4.010 124.486 120.400 0.128 0.000 2.358 74 K HA 0.279 4.696 4.320 -0.002 -0.098 0.260 74 K C -1.520 175.129 176.600 0.082 0.000 0.956 74 K CA -2.185 54.134 56.287 0.053 0.000 0.834 74 K CB 3.168 35.637 32.500 -0.052 0.000 1.102 74 K HN 0.672 9.038 8.250 0.193 0.000 0.431 75 V N 8.105 128.044 119.914 0.042 0.000 2.353 75 V HA -0.085 4.083 4.120 0.080 0.000 0.264 75 V C -0.266 175.844 176.094 0.026 0.000 1.049 75 V CA 0.366 62.697 62.300 0.052 0.000 0.896 75 V CB -0.744 31.111 31.823 0.053 0.000 1.025 75 V HN 0.306 8.753 8.190 0.012 -0.249 0.475 76 E N 7.369 127.595 120.200 0.043 0.000 2.340 76 E HA 0.094 4.454 4.350 0.017 0.000 0.194 76 E C 0.666 177.269 176.600 0.005 0.000 0.996 76 E CA 0.252 56.672 56.400 0.033 0.000 0.869 76 E CB 0.774 30.519 29.700 0.074 0.000 0.835 76 E HN -0.224 8.176 8.360 0.066 0.000 0.493 77 G N -0.121 108.670 108.800 -0.014 0.000 3.391 77 G HA2 -0.081 3.838 3.960 -0.069 0.000 0.257 77 G HA3 -0.081 3.854 3.960 -0.041 0.000 0.257 77 G C -0.874 173.956 174.900 -0.116 0.000 3.853 77 G CA -0.063 45.003 45.100 -0.057 0.000 0.453 77 G HN -0.664 7.625 8.290 -0.001 0.000 0.287 78 N N -0.209 118.368 118.700 -0.205 0.000 1.961 78 N HA -0.466 3.926 4.740 -0.579 0.000 0.215 78 N C -0.702 174.724 175.510 -0.141 0.000 0.579 78 N CA 2.286 55.082 53.050 -0.424 0.000 4.210 78 N CB -0.744 37.337 38.487 -0.677 0.000 0.734 78 N HN 0.374 8.655 8.380 -0.165 0.000 0.239 79 E N 1.751 121.933 120.200 -0.031 0.000 2.331 79 E HA 0.003 4.415 4.350 0.104 0.000 0.272 79 E C -1.468 175.182 176.600 0.083 0.000 1.036 79 E CA -0.127 56.310 56.400 0.062 0.000 0.864 79 E CB 1.288 31.025 29.700 0.061 0.000 1.035 79 E HN -0.093 8.152 8.360 -0.052 0.084 0.408 80 I N 5.609 126.254 120.570 0.126 0.000 2.354 80 I HA 0.302 4.693 4.170 0.131 -0.142 0.292 80 I C -0.684 175.514 176.117 0.133 0.000 0.989 80 I CA -0.911 60.475 61.300 0.144 0.000 1.188 80 I CB 0.768 38.883 38.000 0.191 0.000 1.342 80 I HN 0.445 8.739 8.210 0.140 0.000 0.457 81 S N 4.687 120.478 115.700 0.153 0.000 2.690 81 S HA 0.361 4.879 4.470 0.080 0.000 0.291 81 S C -1.467 173.242 174.600 0.181 0.000 1.138 81 S CA -1.366 56.914 58.200 0.133 0.000 1.013 81 S CB 2.235 65.511 63.200 0.127 0.000 1.053 81 S HN 0.366 8.781 8.310 0.175 0.000 0.539 82 L N 0.178 121.448 121.223 0.078 0.000 2.325 82 L HA 0.539 5.147 4.340 0.196 -0.151 0.281 82 L C -1.410 175.472 176.870 0.020 0.000 1.004 82 L CA -1.073 53.829 54.840 0.104 0.000 0.823 82 L CB 1.939 44.027 42.059 0.050 0.000 1.236 82 L HN -0.196 8.024 8.230 -0.016 0.000 0.415 83 Y N 2.858 123.151 120.300 -0.012 0.000 2.341 83 Y HA 0.573 5.274 4.550 -0.030 -0.169 0.337 83 Y C -0.763 175.107 175.900 -0.051 0.000 1.014 83 Y CA -1.566 56.516 58.100 -0.029 0.000 1.111 83 Y CB 2.589 41.034 38.460 -0.025 0.000 1.194 83 Y HN 0.114 8.610 8.280 0.361 0.000 0.462 84 R N 2.242 122.759 120.500 0.029 0.000 2.404 84 R HA 0.543 5.022 4.340 -0.039 -0.163 0.291 84 R C -1.201 175.074 176.300 -0.042 0.000 1.025 84 R CA -1.354 54.719 56.100 -0.045 0.000 0.991 84 R CB 1.833 32.056 30.300 -0.129 0.000 1.053 84 R HN 0.056 8.314 8.270 -0.020 0.000 0.479 85 V N -3.736 116.141 119.914 -0.062 0.000 2.735 85 V HA 0.533 4.644 4.120 -0.016 0.000 0.310 85 V C -1.647 174.453 176.094 0.010 0.000 1.061 85 V CA -2.398 59.886 62.300 -0.028 0.000 0.913 85 V CB 3.712 35.526 31.823 -0.015 0.000 1.005 85 V HN 0.552 8.589 8.190 -0.072 0.110 0.428 86 H N 3.312 122.378 119.070 -0.007 0.000 2.755 86 H HA 0.331 4.881 4.556 -0.010 0.000 0.273 86 H C -1.100 174.229 175.328 0.002 0.000 1.055 86 H CA -0.685 55.359 56.048 -0.006 0.000 1.191 86 H CB 1.335 31.094 29.762 -0.004 0.000 1.536 86 H HN 0.467 8.812 8.280 0.110 0.000 0.529 87 S N -2.856 112.915 115.700 0.119 0.000 2.556 87 S HA 0.276 4.785 4.470 0.065 0.000 0.271 87 S C -1.527 173.104 174.600 0.052 0.000 1.135 87 S CA -2.408 55.835 58.200 0.072 0.000 0.858 87 S CB 1.794 65.031 63.200 0.061 0.000 1.114 87 S HN -0.698 7.606 8.310 0.100 0.066 0.468 88 P HA 0.129 4.581 4.420 0.053 0.000 0.246 88 P C -1.636 175.687 177.300 0.039 0.000 1.686 88 P CA -0.462 62.670 63.100 0.054 0.000 0.867 88 P CB -1.936 29.805 31.700 0.069 0.000 1.733 89 A N -0.147 122.692 122.820 0.031 0.000 1.878 89 A HA -0.020 4.314 4.320 0.023 0.000 0.215 89 A C 0.105 177.697 177.584 0.013 0.000 1.310 89 A CA 1.156 53.207 52.037 0.023 0.000 0.612 89 A CB 0.397 19.412 19.000 0.024 0.000 0.989 89 A HN 0.012 8.069 8.150 0.032 0.113 0.472 90 C N 0.321 119.624 119.300 0.005 0.000 2.135 90 C HA 0.041 4.494 4.460 -0.011 0.000 0.345 90 C C -1.620 173.357 174.990 -0.021 0.000 1.067 90 C CA -0.204 58.807 59.018 -0.012 0.000 1.517 90 C CB -1.901 25.826 27.740 -0.021 0.000 1.923 90 C HN 0.240 8.476 8.230 0.010 0.000 0.466 91 L N 8.095 129.312 121.223 -0.011 0.000 2.485 91 L HA 0.229 4.553 4.340 -0.026 0.000 0.260 91 L C -1.077 175.790 176.870 -0.006 0.000 0.998 91 L CA -0.688 54.148 54.840 -0.007 0.000 0.883 91 L CB 1.157 43.232 42.059 0.026 0.000 1.196 91 L HN -0.297 7.931 8.230 -0.003 0.000 0.443 92 G N 2.907 111.692 108.800 -0.025 0.000 2.519 92 G HA2 0.406 4.358 3.960 -0.013 0.000 0.307 92 G HA3 0.406 4.348 3.960 -0.031 0.000 0.307 92 G C -2.140 172.745 174.900 -0.026 0.000 1.266 92 G CA -1.426 43.660 45.100 -0.024 0.000 0.970 92 G HN -0.066 8.199 8.290 -0.042 0.000 0.481 93 V N 2.602 122.502 119.914 -0.023 0.000 2.387 93 V HA 0.003 4.312 4.120 -0.021 -0.202 0.260 93 V C 0.657 176.734 176.094 -0.029 0.000 1.054 93 V CA 1.069 63.353 62.300 -0.026 0.000 0.967 93 V CB -0.705 31.098 31.823 -0.034 0.000 1.036 93 V HN 0.340 8.517 8.190 -0.021 0.000 0.481 94 G N 7.807 116.591 108.800 -0.026 0.000 2.727 94 G HA2 0.230 4.176 3.960 -0.023 0.000 0.203 94 G HA3 0.230 4.344 3.960 -0.029 -0.171 0.203 94 G C -0.917 173.983 174.900 -0.000 0.000 1.117 94 G CA -0.073 45.014 45.100 -0.021 0.000 0.817 94 G HN 0.009 8.285 8.290 -0.024 0.000 0.553 95 A N 0.739 123.567 122.820 0.012 0.000 2.896 95 A HA 0.245 4.606 4.320 0.068 0.000 0.232 95 A C 0.203 177.840 177.584 0.088 0.000 1.809 95 A CA -1.030 51.041 52.037 0.058 0.000 0.855 95 A CB 1.067 20.098 19.000 0.052 0.000 1.773 95 A HN -0.673 7.493 8.150 0.000 -0.016 0.644 96 F N 1.420 121.353 119.950 -0.028 0.000 2.668 96 F HA -0.187 4.331 4.527 -0.014 0.000 0.365 96 F C -0.304 175.479 175.800 -0.028 0.000 1.165 96 F CA 0.062 58.048 58.000 -0.023 0.000 1.344 96 F CB -1.492 37.494 39.000 -0.022 0.000 1.658 96 F HN 0.036 8.478 8.300 0.237 0.000 0.620 97 G N 0.735 109.461 108.800 -0.123 0.000 2.213 97 G HA2 -0.299 3.570 3.960 -0.152 0.000 0.226 97 G HA3 -0.299 3.559 3.960 -0.170 0.000 0.226 97 G C -1.201 173.673 174.900 -0.044 0.000 0.992 97 G CA -0.306 44.715 45.100 -0.131 0.000 0.632 97 G HN 0.047 8.192 8.290 -0.085 0.094 0.511 98 I N -3.514 117.050 120.570 -0.009 0.000 2.499 98 I HA 0.236 4.409 4.170 0.005 0.000 0.296 98 I C -0.603 175.514 176.117 0.000 0.000 0.992 98 I CA -1.177 60.123 61.300 0.000 0.000 1.297 98 I CB 1.137 39.132 38.000 -0.009 0.000 1.410 98 I HN -0.678 7.461 8.210 0.012 0.078 0.507 99 M N 1.744 121.354 119.600 0.018 0.000 2.216 99 M HA 0.276 4.833 4.480 -0.003 -0.079 0.356 99 M C -0.952 175.350 176.300 0.002 0.000 1.205 99 M CA -0.091 55.217 55.300 0.014 0.000 1.122 99 M CB 1.380 34.005 32.600 0.041 0.000 1.571 99 M HN 0.106 8.418 8.290 0.037 0.000 0.464 100 E N 0.684 120.867 120.200 -0.028 0.000 2.340 100 E HA 0.604 4.931 4.350 -0.039 0.000 0.273 100 E C -2.570 173.966 176.600 -0.107 0.000 0.891 100 E CA -3.641 52.724 56.400 -0.058 0.000 0.757 100 E CB 2.337 31.999 29.700 -0.064 0.000 1.231 100 E HN 1.098 9.325 8.360 -0.033 0.113 0.439 101 P HA 0.182 4.671 4.420 -0.141 -0.154 0.284 101 P C -0.689 176.332 177.300 -0.464 0.000 1.343 101 P CA -0.599 62.373 63.100 -0.213 0.000 0.826 101 P CB -0.204 31.424 31.700 -0.120 0.000 0.956 102 V N -1.530 118.193 119.914 -0.318 0.000 3.052 102 V HA 0.072 3.898 4.120 -0.491 0.000 0.254 102 V C -0.270 175.663 176.094 -0.269 0.000 1.100 102 V CA 0.232 62.329 62.300 -0.339 0.000 1.112 102 V CB 0.380 32.101 31.823 -0.170 0.000 0.738 102 V HN -0.387 7.685 8.190 -0.197 0.000 0.469 103 E N 1.136 121.238 120.200 -0.162 0.000 2.224 103 E HA 0.197 4.552 4.350 0.008 0.000 0.265 103 E C -1.308 175.317 176.600 0.043 0.000 0.878 103 E CA -0.459 55.922 56.400 -0.030 0.000 0.759 103 E CB 2.445 32.137 29.700 -0.013 0.000 1.164 103 E HN -0.558 7.678 8.360 -0.156 0.030 0.414 104 G N 2.006 110.901 108.800 0.158 0.000 2.513 104 G HA2 -0.006 4.012 3.960 0.097 0.000 0.182 104 G HA3 -0.006 4.071 3.960 0.195 0.000 0.182 104 G C -1.716 173.294 174.900 0.184 0.000 1.190 104 G CA -0.186 45.019 45.100 0.173 0.000 0.987 104 G HN 0.060 8.464 8.290 0.190 0.000 0.479 105 E N 2.423 122.694 120.200 0.117 0.000 2.113 105 E HA 0.170 4.503 4.350 -0.027 0.000 0.273 105 E C -1.305 175.158 176.600 -0.228 0.000 0.924 105 E CA -1.231 55.151 56.400 -0.031 0.000 0.764 105 E CB 1.349 31.018 29.700 -0.052 0.000 1.104 105 E HN 0.116 8.556 8.360 0.132 0.000 0.406 106 R N 6.931 127.197 120.500 -0.389 0.000 2.296 106 R HA -0.111 3.405 4.340 -1.373 0.000 0.323 106 R C -0.747 175.325 176.300 -0.380 0.000 1.067 106 R CA 0.298 55.967 56.100 -0.719 0.000 0.946 106 R CB 0.243 30.209 30.300 -0.555 0.000 0.991 106 R HN 0.427 8.561 8.270 -0.227 0.000 0.448 107 V N 7.233 126.939 119.914 -0.347 0.000 2.581 107 V HA 0.189 4.217 4.120 -0.154 0.000 0.303 107 V C -1.820 174.191 176.094 -0.138 0.000 1.041 107 V CA -1.445 60.744 62.300 -0.184 0.000 0.907 107 V CB 2.835 34.579 31.823 -0.131 0.000 0.994 107 V HN 0.775 8.689 8.190 -0.461 0.000 0.442 108 N N 5.539 124.184 118.700 -0.091 0.000 2.514 108 N HA 0.185 4.890 4.740 -0.057 0.000 0.277 108 N C -0.591 174.899 175.510 -0.034 0.000 1.126 108 N CA -1.846 51.171 53.050 -0.056 0.000 0.978 108 N CB 0.275 38.736 38.487 -0.043 0.000 1.106 108 N HN 0.276 8.605 8.380 -0.086 0.000 0.461 109 P HA -0.243 4.179 4.420 0.004 0.000 0.221 109 P C 0.635 177.933 177.300 -0.004 0.000 1.145 109 P CA 2.047 65.148 63.100 0.002 0.000 0.795 109 P CB 0.092 31.805 31.700 0.022 0.000 0.775 110 E N -3.855 116.340 120.200 -0.008 0.000 2.482 110 E HA -0.240 4.106 4.350 -0.008 0.000 0.196 110 E C -0.017 176.576 176.600 -0.012 0.000 1.047 110 E CA 0.921 57.316 56.400 -0.009 0.000 0.869 110 E CB -0.391 29.304 29.700 -0.009 0.000 0.836 110 E HN -0.555 7.895 8.360 -0.010 -0.095 0.520 111 D N -2.269 118.121 120.400 -0.017 0.000 2.348 111 D HA -0.022 4.607 4.640 -0.018 0.000 0.211 111 D C -0.130 176.162 176.300 -0.014 0.000 0.998 111 D CA 0.916 54.904 54.000 -0.020 0.000 0.873 111 D CB 0.814 41.595 40.800 -0.032 0.000 0.925 111 D HN -0.267 7.966 8.370 -0.020 0.125 0.524 112 V N 0.985 120.894 119.914 -0.007 0.000 2.470 112 V HA -0.174 3.949 4.120 0.006 0.000 0.276 112 V C -0.008 176.097 176.094 0.019 0.000 1.040 112 V CA 0.168 62.472 62.300 0.007 0.000 1.008 112 V CB -0.274 31.556 31.823 0.011 0.000 0.990 112 V HN -0.797 7.212 8.190 -0.009 0.176 0.477 113 D N 7.768 128.193 120.400 0.041 0.000 2.091 113 D HA -0.156 4.509 4.640 0.041 0.000 0.199 113 D C -0.645 175.731 176.300 0.126 0.000 0.980 113 D CA 3.675 57.716 54.000 0.068 0.000 0.831 113 D CB 0.930 41.771 40.800 0.067 0.000 0.987 113 D HN 0.462 8.853 8.370 0.034 0.000 0.460 114 F N -0.392 119.551 119.950 -0.011 0.000 2.477 114 F HA 0.503 5.169 4.527 0.025 -0.124 0.335 114 F C -2.569 173.252 175.800 0.035 0.000 1.130 114 F CA -0.839 57.176 58.000 0.024 0.000 0.948 114 F CB 3.568 42.600 39.000 0.053 0.000 1.154 114 F HN -0.153 8.273 8.300 0.210 0.000 0.439 115 I N 6.735 127.165 120.570 -0.233 0.000 2.582 115 I HA 0.992 5.438 4.170 0.062 -0.238 0.292 115 I C -3.038 172.940 176.117 -0.232 0.000 1.066 115 I CA -2.886 58.344 61.300 -0.116 0.000 1.053 115 I CB 4.799 42.731 38.000 -0.113 0.000 1.241 115 I HN 0.713 8.618 8.210 -0.507 0.000 0.421 116 A N 8.196 130.991 122.820 -0.041 0.000 2.273 116 A HA 0.809 5.244 4.320 -0.120 -0.186 0.320 116 A C -1.848 175.722 177.584 -0.023 0.000 1.358 116 A CA -2.280 49.746 52.037 -0.020 0.000 0.910 116 A CB 1.199 20.280 19.000 0.135 0.000 1.159 116 A HN 0.879 9.064 8.150 0.058 0.000 0.526 117 V N -0.710 119.163 119.914 -0.069 0.000 2.409 117 V HA 0.714 4.801 4.120 -0.054 0.000 0.291 117 V C -2.771 173.441 176.094 0.197 0.000 1.020 117 V CA -4.631 57.636 62.300 -0.056 0.000 0.848 117 V CB 1.708 33.367 31.823 -0.273 0.000 0.990 117 V HN 0.782 8.812 8.190 -0.091 0.106 0.430 118 P HA 0.453 5.308 4.420 0.468 -0.155 0.278 118 P C -0.861 176.814 177.300 0.625 0.000 1.258 118 P CA -1.488 61.889 63.100 0.461 0.000 0.811 118 P CB 1.212 33.123 31.700 0.352 0.000 1.063 119 G N -2.883 106.264 108.800 0.578 0.000 2.718 119 G HA2 0.239 4.482 3.960 0.470 0.000 0.295 119 G HA3 0.239 3.900 3.960 -0.500 0.000 0.295 119 G C -0.180 174.669 174.900 -0.086 0.000 1.421 119 G CA -0.703 44.455 45.100 0.096 0.000 0.902 119 G HN -0.304 8.437 8.290 0.752 0.000 0.501 120 V N 0.596 120.256 119.914 -0.423 0.000 2.287 120 V HA -0.375 3.721 4.120 -0.040 0.000 0.248 120 V C -0.311 175.729 176.094 -0.090 0.000 1.053 120 V CA 3.565 65.725 62.300 -0.233 0.000 1.027 120 V CB 0.273 31.871 31.823 -0.375 0.000 0.646 120 V HN 0.609 8.231 8.190 -0.948 0.000 0.447 121 A N -6.224 116.467 122.820 -0.214 0.000 2.515 121 A HA 0.571 5.161 4.320 0.131 -0.191 0.298 121 A C -2.060 175.387 177.584 -0.228 0.000 1.059 121 A CA -1.262 50.764 52.037 -0.018 0.000 0.698 121 A CB 3.380 22.475 19.000 0.158 0.000 1.289 121 A HN -0.959 6.949 8.150 -0.404 0.000 0.404 122 F N -1.700 118.344 119.950 0.157 0.000 2.631 122 F HA 1.069 5.877 4.527 0.132 -0.202 0.328 122 F C -0.938 174.972 175.800 0.183 0.000 1.067 122 F CA -1.480 56.600 58.000 0.134 0.000 0.969 122 F CB 5.010 44.053 39.000 0.072 0.000 1.332 122 F HN 0.697 9.198 8.300 0.334 0.000 0.490 123 D N -1.441 119.194 120.400 0.392 0.000 2.758 123 D HA 0.511 5.422 4.640 0.298 -0.092 0.262 123 D C -0.402 176.026 176.300 0.215 0.000 1.113 123 D CA -2.407 51.768 54.000 0.291 0.000 1.114 123 D CB 2.914 43.873 40.800 0.265 0.000 1.363 123 D HN -0.104 8.532 8.370 0.444 0.000 0.617 124 L N -2.833 118.490 121.223 0.166 0.000 2.592 124 L HA 0.027 4.416 4.340 0.081 0.000 0.227 124 L C 0.322 177.255 176.870 0.105 0.000 1.127 124 L CA 0.863 55.767 54.840 0.107 0.000 0.884 124 L CB 0.197 42.306 42.059 0.082 0.000 1.065 124 L HN 0.306 8.528 8.230 0.173 0.112 0.457 125 E N -4.322 115.975 120.200 0.161 0.000 2.399 125 E HA 0.007 4.417 4.350 0.100 0.000 0.205 125 E C 0.269 176.903 176.600 0.057 0.000 0.906 125 E CA -0.206 56.286 56.400 0.154 0.000 0.998 125 E CB 1.832 31.708 29.700 0.293 0.000 1.002 125 E HN -0.151 8.688 8.360 0.215 -0.350 0.501 126 G N -2.345 106.510 108.800 0.091 0.000 2.157 126 G HA2 -0.225 3.791 3.960 0.093 0.000 0.118 126 G HA3 -0.225 3.669 3.960 -0.111 0.000 0.118 126 G C -1.431 173.425 174.900 -0.073 0.000 1.032 126 G CA -0.064 45.034 45.100 -0.003 0.000 0.697 126 G HN 0.041 8.833 8.290 0.213 -0.375 0.495 127 Y N -0.076 120.322 120.300 0.163 0.000 2.453 127 Y HA 0.179 4.787 4.550 0.096 0.000 0.326 127 Y C -1.192 174.742 175.900 0.056 0.000 1.186 127 Y CA 0.666 58.828 58.100 0.103 0.000 1.200 127 Y CB 2.263 40.758 38.460 0.057 0.000 1.247 127 Y HN 0.351 9.364 8.280 0.360 -0.517 0.482 128 R N -3.152 117.417 120.500 0.115 0.000 3.029 128 R HA 0.732 5.084 4.340 -0.299 -0.191 0.239 128 R C -0.700 175.543 176.300 -0.096 0.000 1.351 128 R CA -1.997 54.009 56.100 -0.157 0.000 1.052 128 R CB 2.807 32.945 30.300 -0.269 0.000 1.354 128 R HN -0.220 8.275 8.270 0.194 -0.109 0.499 129 L N -0.750 120.353 121.223 -0.199 0.000 2.766 129 L HA 0.330 4.604 4.340 -0.109 0.000 0.242 129 L C -0.576 176.188 176.870 -0.177 0.000 1.136 129 L CA -2.125 52.618 54.840 -0.163 0.000 0.933 129 L CB 1.846 43.802 42.059 -0.172 0.000 1.241 129 L HN 0.330 8.369 8.230 -0.318 0.000 0.522 130 G N -2.364 106.320 108.800 -0.194 0.000 2.855 130 G HA2 -0.419 3.577 3.960 0.059 0.000 0.352 130 G HA3 -0.419 3.534 3.960 -0.012 0.000 0.352 130 G C -0.506 174.246 174.900 -0.246 0.000 1.415 130 G CA 0.246 45.296 45.100 -0.084 0.000 0.871 130 G HN -0.655 7.444 8.290 -0.220 0.059 0.543 131 F N -0.003 119.966 119.950 0.032 0.000 2.444 131 F HA 0.166 4.699 4.527 0.011 0.000 0.263 131 F C -0.765 175.060 175.800 0.042 0.000 0.912 131 F CA 0.658 58.676 58.000 0.030 0.000 1.122 131 F CB 1.510 40.527 39.000 0.028 0.000 1.246 131 F HN 0.319 8.851 8.300 0.386 0.000 0.752 132 G N -1.146 107.854 108.800 0.334 0.000 2.711 132 G HA2 0.203 4.242 3.960 0.131 0.000 0.288 132 G HA3 0.203 4.303 3.960 0.234 0.000 0.288 132 G C -2.535 172.496 174.900 0.219 0.000 1.451 132 G CA -0.326 44.908 45.100 0.222 0.000 1.186 132 G HN -0.497 8.058 8.290 0.441 0.000 0.560 133 K N 3.118 123.566 120.400 0.080 0.000 2.144 133 K HA -0.027 4.417 4.320 0.072 -0.081 0.270 133 K C -0.479 176.033 176.600 -0.147 0.000 1.005 133 K CA -0.588 55.705 56.287 0.010 0.000 0.932 133 K CB 1.095 33.586 32.500 -0.015 0.000 1.021 133 K HN -0.072 8.204 8.250 0.043 0.000 0.462 134 G N 4.235 112.861 108.800 -0.290 0.000 4.460 134 G HA2 -0.123 3.490 3.960 -0.578 0.000 0.182 134 G HA3 -0.123 3.325 3.960 -0.852 0.000 0.182 134 G C -1.883 172.472 174.900 -0.908 0.000 1.512 134 G CA 1.062 45.747 45.100 -0.692 0.000 0.856 134 G HN 0.936 9.611 8.290 -0.181 -0.494 0.289 135 Y N -2.738 117.321 120.300 -0.401 0.000 2.476 135 Y HA 0.291 4.750 4.550 -0.152 0.000 0.274 135 Y C 0.976 176.759 175.900 -0.196 0.000 1.120 135 Y CA -0.165 57.743 58.100 -0.320 0.000 1.214 135 Y CB 1.943 40.169 38.460 -0.391 0.000 1.285 135 Y HN -0.493 7.335 8.280 -0.753 0.000 0.520 136 Y N -1.684 118.736 120.300 0.199 0.000 2.337 136 Y HA -0.293 4.369 4.550 0.186 0.000 0.293 136 Y C 1.787 177.795 175.900 0.181 0.000 1.123 136 Y CA 2.474 60.682 58.100 0.180 0.000 1.201 136 Y CB -0.922 37.621 38.460 0.138 0.000 1.011 136 Y HN 0.029 7.915 8.280 -0.657 0.000 0.545 137 D N -1.945 118.599 120.400 0.240 0.000 2.264 137 D HA -0.378 4.395 4.640 0.221 0.000 0.208 137 D C 1.870 178.258 176.300 0.146 0.000 0.966 137 D CA 2.486 56.600 54.000 0.191 0.000 0.864 137 D CB -0.590 40.303 40.800 0.155 0.000 0.933 137 D HN 0.429 8.879 8.370 0.160 0.016 0.499 138 R N -0.804 119.770 120.500 0.123 0.000 2.092 138 R HA -0.200 4.190 4.340 0.084 0.000 0.231 138 R C 1.999 178.368 176.300 0.115 0.000 1.119 138 R CA 2.470 58.632 56.100 0.103 0.000 0.970 138 R CB -0.330 30.028 30.300 0.098 0.000 0.864 138 R HN -0.219 7.967 8.270 0.112 0.151 0.440 139 L N -0.088 121.230 121.223 0.159 0.000 2.093 139 L HA -0.232 4.182 4.340 0.124 0.000 0.208 139 L C 1.253 178.191 176.870 0.114 0.000 1.085 139 L CA 2.713 57.646 54.840 0.154 0.000 0.755 139 L CB -0.193 42.004 42.059 0.230 0.000 0.904 139 L HN -0.750 7.500 8.230 0.196 0.098 0.435 140 L N -4.170 117.127 121.223 0.124 0.000 2.201 140 L HA -0.332 4.028 4.340 0.033 0.000 0.212 140 L C 1.435 178.338 176.870 0.056 0.000 1.105 140 L CA 2.356 57.240 54.840 0.075 0.000 0.775 140 L CB -0.774 41.345 42.059 0.101 0.000 0.913 140 L HN -0.596 7.636 8.230 0.169 0.099 0.440 141 K N -4.812 115.628 120.400 0.066 0.000 2.296 141 K HA -0.224 4.118 4.320 0.037 0.000 0.200 141 K C 1.914 178.532 176.600 0.030 0.000 1.048 141 K CA 0.960 57.274 56.287 0.044 0.000 0.966 141 K CB -0.550 31.977 32.500 0.044 0.000 0.754 141 K HN -0.606 7.555 8.250 0.086 0.140 0.466 142 R N -2.300 118.222 120.500 0.038 0.000 2.055 142 R HA -0.147 4.205 4.340 0.020 0.000 0.226 142 R C 0.853 177.161 176.300 0.013 0.000 1.135 142 R CA 1.051 57.167 56.100 0.027 0.000 0.959 142 R CB 0.308 30.631 30.300 0.038 0.000 0.854 142 R HN -0.806 7.332 8.270 0.054 0.164 0.431 143 V N 0.203 120.124 119.914 0.011 0.000 2.381 143 V HA -0.108 4.160 4.120 -0.007 -0.152 0.257 143 V C -0.278 175.805 176.094 -0.017 0.000 1.057 143 V CA 0.541 62.837 62.300 -0.008 0.000 1.013 143 V CB -1.795 30.015 31.823 -0.022 0.000 1.069 143 V HN -0.339 7.865 8.190 0.023 0.000 0.484 144 K N 5.243 125.633 120.400 -0.016 0.000 2.514 144 K HA 0.172 4.479 4.320 -0.022 0.000 0.207 144 K C 0.455 177.040 176.600 -0.026 0.000 1.035 144 K CA -0.558 55.717 56.287 -0.020 0.000 1.113 144 K CB 0.485 32.977 32.500 -0.012 0.000 0.846 144 K HN -0.108 8.134 8.250 -0.013 0.000 0.491 145 G N 0.448 109.229 108.800 -0.032 0.000 2.928 145 G HA2 0.210 4.158 3.960 -0.020 0.000 0.163 145 G HA3 0.210 4.313 3.960 -0.024 -0.157 0.163 145 G C -1.022 173.843 174.900 -0.058 0.000 1.573 145 G CA -0.783 44.298 45.100 -0.032 0.000 1.084 145 G HN -0.442 7.752 8.290 -0.034 0.076 0.569 146 L N 0.498 121.674 121.223 -0.077 0.000 2.312 146 L HA 0.108 4.383 4.340 -0.109 0.000 0.287 146 L C -1.417 175.290 176.870 -0.271 0.000 1.091 146 L CA -0.218 54.535 54.840 -0.145 0.000 0.846 146 L CB -1.153 40.837 42.059 -0.114 0.000 1.219 146 L HN -0.012 8.190 8.230 -0.047 0.000 0.439 147 K N 5.561 125.837 120.400 -0.206 0.000 2.273 147 K HA 0.107 4.276 4.320 -0.252 0.000 0.287 147 K C -0.957 175.496 176.600 -0.245 0.000 1.089 147 K CA -0.173 55.985 56.287 -0.216 0.000 0.909 147 K CB -0.171 32.252 32.500 -0.129 0.000 1.123 147 K HN 0.558 9.098 8.250 -0.147 -0.378 0.473 148 V N 6.468 126.174 119.914 -0.347 0.000 2.350 148 V HA 0.265 4.440 4.120 -0.251 -0.205 0.276 148 V C -0.077 175.894 176.094 -0.205 0.000 1.028 148 V CA -0.833 61.283 62.300 -0.307 0.000 0.860 148 V CB 0.517 32.076 31.823 -0.439 0.000 0.990 148 V HN 0.876 8.813 8.190 -0.421 0.000 0.453 149 G N 7.807 116.469 108.800 -0.229 0.000 2.358 149 G HA2 0.278 4.509 3.960 -0.079 0.000 0.273 149 G HA3 0.278 3.852 3.960 -0.643 0.000 0.273 149 G C -2.284 172.375 174.900 -0.401 0.000 1.215 149 G CA -0.547 44.352 45.100 -0.335 0.000 0.910 149 G HN 0.961 9.011 8.290 -0.238 0.097 0.467 150 V N 7.084 126.878 119.914 -0.199 0.000 2.357 150 V HA 0.684 4.854 4.120 -0.225 -0.186 0.284 150 V C -1.309 174.716 176.094 -0.114 0.000 1.018 150 V CA -0.924 61.279 62.300 -0.162 0.000 0.841 150 V CB 0.788 32.573 31.823 -0.063 0.000 0.991 150 V HN -0.427 7.742 8.190 -0.035 0.000 0.437 151 A N 6.198 128.892 122.820 -0.211 0.000 2.493 151 A HA 0.486 4.715 4.320 -0.152 0.000 0.300 151 A C -2.639 174.800 177.584 -0.242 0.000 1.152 151 A CA -0.625 51.339 52.037 -0.123 0.000 0.643 151 A CB 2.959 22.085 19.000 0.211 0.000 1.316 151 A HN 0.152 8.138 8.150 -0.273 0.000 0.469 152 Y N -3.513 116.851 120.300 0.107 0.000 2.403 152 Y HA 0.147 4.820 4.550 0.026 -0.107 0.323 152 Y C 1.852 177.746 175.900 -0.010 0.000 1.226 152 Y CA -1.445 56.704 58.100 0.082 0.000 1.235 152 Y CB 1.948 40.566 38.460 0.263 0.000 1.248 152 Y HN 0.296 8.721 8.280 0.241 0.000 0.489 153 S N 3.012 118.700 115.700 -0.021 0.000 2.419 153 S HA -0.238 4.153 4.470 -0.132 0.000 0.233 153 S C 1.709 176.156 174.600 -0.256 0.000 1.016 153 S CA 3.402 61.477 58.200 -0.208 0.000 0.974 153 S CB -0.387 62.612 63.200 -0.336 0.000 0.786 153 S HN 0.605 9.498 8.310 -0.021 -0.596 0.492 154 F N 1.831 121.773 119.950 -0.014 0.000 2.171 154 F HA -0.155 4.295 4.527 -0.129 0.000 0.300 154 F C 1.584 177.267 175.800 -0.195 0.000 1.090 154 F CA 2.538 60.484 58.000 -0.091 0.000 1.293 154 F CB -0.728 38.247 39.000 -0.042 0.000 1.013 154 F HN -0.458 7.683 8.300 -0.211 0.033 0.486 155 Q N -3.328 116.534 119.800 0.103 0.000 2.320 155 Q HA 0.132 4.465 4.340 -0.012 0.000 0.201 155 Q C -1.371 174.581 176.000 -0.080 0.000 0.910 155 Q CA 0.351 56.179 55.803 0.040 0.000 0.946 155 Q CB 0.061 28.933 28.738 0.223 0.000 1.062 155 Q HN -0.479 7.811 8.270 0.232 0.120 0.503 156 V N -0.132 119.641 119.914 -0.235 0.000 2.435 156 V HA 0.201 4.559 4.120 0.082 -0.189 0.290 156 V C -0.905 174.934 176.094 -0.425 0.000 1.030 156 V CA 0.029 62.242 62.300 -0.145 0.000 0.881 156 V CB 1.279 33.081 31.823 -0.034 0.000 0.983 156 V HN -0.694 7.131 8.190 -0.244 0.219 0.445 157 F N 5.740 125.751 119.950 0.102 0.000 2.790 157 F HA 0.262 4.824 4.527 0.058 0.000 0.386 157 F C 1.274 177.113 175.800 0.065 0.000 1.206 157 F CA -1.657 56.385 58.000 0.069 0.000 1.109 157 F CB 2.155 41.190 39.000 0.058 0.000 1.469 157 F HN 0.540 8.893 8.300 0.277 0.112 0.513 158 E N -0.216 120.150 120.200 0.277 0.000 2.042 158 E HA -0.045 4.385 4.350 0.134 0.000 0.189 158 E C -0.061 176.630 176.600 0.151 0.000 0.974 158 E CA 2.508 59.004 56.400 0.161 0.000 0.806 158 E CB 0.653 30.422 29.700 0.114 0.000 0.769 158 E HN 0.287 8.847 8.360 0.334 0.000 0.451 159 R N -3.885 116.695 120.500 0.134 0.000 2.698 159 R HA 0.302 4.911 4.340 0.119 -0.198 0.275 159 R C -1.659 174.662 176.300 0.036 0.000 1.001 159 R CA -1.016 55.134 56.100 0.084 0.000 0.896 159 R CB 2.052 32.370 30.300 0.031 0.000 1.218 159 R HN -0.400 7.952 8.270 0.137 0.000 0.462 160 L N 1.174 122.406 121.223 0.014 0.000 2.342 160 L HA 0.405 4.684 4.340 -0.100 0.000 0.271 160 L C -1.880 174.925 176.870 -0.109 0.000 1.008 160 L CA -3.572 51.238 54.840 -0.051 0.000 0.818 160 L CB 1.862 43.922 42.059 0.002 0.000 1.296 160 L HN -0.008 8.243 8.230 0.035 0.000 0.427 161 P HA 0.009 4.349 4.420 -0.133 0.000 0.268 161 P C -1.649 175.564 177.300 -0.145 0.000 1.282 161 P CA -0.298 62.722 63.100 -0.132 0.000 0.880 161 P CB -0.319 31.308 31.700 -0.121 0.000 0.971 162 R N 4.407 124.793 120.500 -0.190 0.000 2.343 162 R HA -0.077 4.165 4.340 -0.163 0.000 0.326 162 R C 0.087 176.300 176.300 -0.145 0.000 1.055 162 R CA -0.095 55.885 56.100 -0.200 0.000 0.961 162 R CB -0.588 29.505 30.300 -0.345 0.000 0.978 162 R HN -0.105 8.038 8.270 -0.211 0.000 0.443 163 D N 5.148 125.466 120.400 -0.136 0.000 2.096 163 D HA -0.263 4.292 4.640 -0.142 0.000 0.200 163 D C -0.458 175.729 176.300 -0.189 0.000 0.980 163 D CA 2.468 56.372 54.000 -0.159 0.000 0.860 163 D CB 0.536 41.230 40.800 -0.177 0.000 1.005 163 D HN 0.349 8.645 8.370 -0.124 0.000 0.449 164 A N -1.080 121.580 122.820 -0.267 0.000 2.085 164 A HA -0.004 4.202 4.320 -0.190 0.000 0.202 164 A C -1.215 176.322 177.584 -0.080 0.000 2.124 164 A CA 0.487 52.308 52.037 -0.360 0.000 1.584 164 A CB 0.470 18.846 19.000 -1.039 0.000 1.136 164 A HN 0.024 8.016 8.150 -0.264 0.000 0.493 165 W N -1.348 119.973 121.300 0.035 0.000 1.759 165 W HA 0.267 4.975 4.660 0.080 0.000 0.291 165 W C -1.383 175.179 176.519 0.072 0.000 0.855 165 W CA -1.576 55.804 57.345 0.058 0.000 2.167 165 W CB -0.566 28.918 29.460 0.041 0.000 2.351 165 W HN -0.359 7.237 8.180 -0.975 0.000 0.423 166 D N 1.068 121.560 120.400 0.153 0.000 2.382 166 D HA -0.114 4.609 4.640 0.138 0.000 0.245 166 D C -0.056 176.359 176.300 0.192 0.000 1.120 166 D CA -0.075 54.015 54.000 0.150 0.000 0.890 166 D CB 1.225 42.086 40.800 0.101 0.000 1.201 166 D HN -0.455 7.975 8.370 0.100 0.000 0.433 167 I N 3.317 123.977 120.570 0.151 0.000 2.452 167 I HA 0.107 4.342 4.170 0.108 0.000 0.287 167 I C -2.010 174.129 176.117 0.037 0.000 1.079 167 I CA -2.725 58.636 61.300 0.101 0.000 1.387 167 I CB 1.169 39.223 38.000 0.090 0.000 1.404 167 I HN 0.014 8.313 8.210 0.148 0.000 0.522 168 P HA 0.280 4.769 4.420 -0.207 -0.193 0.275 168 P C -0.815 176.427 177.300 -0.096 0.000 1.228 168 P CA -0.825 62.157 63.100 -0.196 0.000 0.786 168 P CB 0.874 32.315 31.700 -0.432 0.000 0.927 169 V N -3.506 116.368 119.914 -0.067 0.000 3.134 169 V HA 0.214 4.303 4.120 -0.052 0.000 0.313 169 V C -0.160 175.883 176.094 -0.086 0.000 1.069 169 V CA -1.879 60.390 62.300 -0.053 0.000 1.048 169 V CB 1.511 33.324 31.823 -0.016 0.000 1.119 169 V HN -0.429 7.723 8.190 -0.063 0.000 0.461 170 D N -0.862 119.482 120.400 -0.095 0.000 2.259 170 D HA 0.083 4.679 4.640 -0.074 0.000 0.216 170 D C -0.169 176.081 176.300 -0.084 0.000 0.961 170 D CA 3.573 57.521 54.000 -0.086 0.000 0.878 170 D CB 1.706 42.455 40.800 -0.086 0.000 1.009 170 D HN 0.123 8.318 8.370 -0.109 0.110 0.490 171 V N -3.969 115.878 119.914 -0.112 0.000 3.040 171 V HA 0.213 4.286 4.120 -0.078 0.000 0.312 171 V C -2.566 173.438 176.094 -0.150 0.000 1.115 171 V CA -1.392 60.845 62.300 -0.104 0.000 0.998 171 V CB 4.253 36.029 31.823 -0.079 0.000 1.042 171 V HN -0.333 7.774 8.190 -0.139 0.000 0.433 172 L N 4.968 126.101 121.223 -0.150 0.000 2.441 172 L HA 0.634 4.938 4.340 -0.321 -0.156 0.270 172 L C -2.647 174.108 176.870 -0.191 0.000 0.973 172 L CA -0.856 53.841 54.840 -0.237 0.000 0.842 172 L CB 3.811 45.723 42.059 -0.245 0.000 1.239 172 L HN 0.646 8.811 8.230 -0.108 0.000 0.406 173 V N 8.162 127.949 119.914 -0.211 0.000 2.448 173 V HA 0.383 4.432 4.120 -0.119 0.000 0.295 173 V C -0.934 175.050 176.094 -0.183 0.000 1.025 173 V CA -1.132 61.077 62.300 -0.151 0.000 0.859 173 V CB 2.175 33.939 31.823 -0.098 0.000 0.988 173 V HN 1.109 9.138 8.190 -0.269 0.000 0.431 174 T N 3.049 117.515 114.554 -0.145 0.000 2.844 174 T HA 0.836 5.356 4.350 -0.182 -0.279 0.274 174 T C 0.873 175.512 174.700 -0.102 0.000 0.991 174 T CA -3.438 58.578 62.100 -0.140 0.000 0.983 174 T CB 3.150 71.949 68.868 -0.114 0.000 1.310 174 T HN 0.030 8.199 8.240 -0.118 0.000 0.596 175 E N -1.405 118.762 120.200 -0.056 0.000 2.385 175 E HA -0.115 4.224 4.350 -0.018 0.000 0.194 175 E C -0.030 176.563 176.600 -0.011 0.000 1.013 175 E CA 1.677 58.080 56.400 0.005 0.000 0.866 175 E CB -0.576 29.220 29.700 0.160 0.000 0.832 175 E HN 0.594 8.931 8.360 -0.039 0.000 0.500 176 K N -1.957 118.417 120.400 -0.043 0.000 2.325 176 K HA 0.092 4.391 4.320 -0.034 0.000 0.203 176 K C 0.580 177.150 176.600 -0.050 0.000 1.128 176 K CA 0.454 56.711 56.287 -0.050 0.000 0.931 176 K CB 1.717 34.169 32.500 -0.079 0.000 1.125 176 K HN -0.696 7.466 8.250 -0.059 0.052 0.487 177 N N -1.350 117.314 118.700 -0.060 0.000 2.405 177 N HA 0.196 4.910 4.740 -0.043 0.000 0.285 177 N C -2.126 173.349 175.510 -0.058 0.000 1.262 177 N CA -0.713 52.305 53.050 -0.053 0.000 0.773 177 N CB 4.019 42.475 38.487 -0.052 0.000 1.490 177 N HN -0.130 8.208 8.380 -0.071 0.000 0.486 178 V N 1.335 121.221 119.914 -0.046 0.000 2.370 178 V HA 0.050 4.134 4.120 -0.059 0.000 0.283 178 V C -0.812 175.256 176.094 -0.044 0.000 1.023 178 V CA -0.068 62.204 62.300 -0.046 0.000 0.857 178 V CB 0.717 32.522 31.823 -0.030 0.000 0.985 178 V HN 0.272 8.439 8.190 -0.038 0.000 0.443 179 R N 8.179 128.644 120.500 -0.058 0.000 2.393 179 R HA 0.410 4.728 4.340 -0.037 0.000 0.310 179 R C -1.818 174.454 176.300 -0.047 0.000 0.968 179 R CA -2.496 53.573 56.100 -0.051 0.000 0.867 179 R CB 1.638 31.899 30.300 -0.066 0.000 1.124 179 R HN 0.764 8.989 8.270 -0.075 0.000 0.450 180 R N 2.417 122.899 120.500 -0.030 0.000 2.480 180 R HA 0.262 4.583 4.340 -0.033 0.000 0.306 180 R C -0.731 175.556 176.300 -0.023 0.000 0.958 180 R CA -0.739 55.346 56.100 -0.025 0.000 0.861 180 R CB 1.341 31.633 30.300 -0.012 0.000 1.171 180 R HN 0.499 8.755 8.270 -0.024 0.000 0.445 181 L N 1.905 123.110 121.223 -0.030 0.000 2.984 181 L HA 0.258 4.588 4.340 -0.017 0.000 0.246 181 L C -0.508 176.348 176.870 -0.024 0.000 1.268 181 L CA -0.183 54.640 54.840 -0.028 0.000 1.054 181 L CB 0.059 42.090 42.059 -0.046 0.000 1.393 181 L HN -0.111 8.097 8.230 -0.037 0.000 0.532 182 R N -2.992 117.498 120.500 -0.016 0.000 2.629 182 R HA 0.169 4.501 4.340 -0.015 0.000 0.408 182 R C -0.454 175.842 176.300 -0.007 0.000 1.057 182 R CA -1.120 54.972 56.100 -0.012 0.000 1.119 182 R CB -0.259 30.034 30.300 -0.011 0.000 1.403 182 R HN -0.381 7.793 8.270 -0.014 0.087 0.576 183 D N 1.862 122.259 120.400 -0.005 0.000 2.443 183 D HA -0.036 4.603 4.640 -0.002 0.000 0.239 183 D C 1.004 177.302 176.300 -0.003 0.000 1.136 183 D CA 1.292 55.291 54.000 -0.002 0.000 0.879 183 D CB 0.742 41.542 40.800 0.000 0.000 1.195 183 D HN -0.333 8.033 8.370 -0.005 0.000 0.443 184 G N 0.889 109.686 108.800 -0.004 0.000 2.477 184 G HA2 0.085 4.040 3.960 -0.008 0.000 0.304 184 G HA3 0.085 4.039 3.960 -0.010 0.000 0.304 184 G C -1.035 173.861 174.900 -0.008 0.000 1.175 184 G CA -0.316 44.779 45.100 -0.008 0.000 0.907 184 G HN -0.085 8.203 8.290 -0.004 0.000 0.509 185 R N -1.401 119.093 120.500 -0.011 0.000 2.125 185 R HA 0.250 4.586 4.340 -0.007 0.000 0.195 185 R C -0.310 175.978 176.300 -0.019 0.000 1.138 185 R CA -0.066 56.027 56.100 -0.010 0.000 1.123 185 R CB 1.017 31.314 30.300 -0.005 0.000 1.049 185 R HN -0.022 8.240 8.270 -0.014 0.000 0.503 186 S N -1.704 113.979 115.700 -0.028 0.000 2.570 186 S HA 0.268 4.710 4.470 -0.046 0.000 0.270 186 S C -1.774 172.787 174.600 -0.064 0.000 1.149 186 S CA -0.408 57.765 58.200 -0.045 0.000 0.837 186 S CB 1.463 64.637 63.200 -0.044 0.000 1.124 186 S HN -0.293 8.001 8.310 -0.026 0.000 0.465 187 L N 2.620 123.784 121.223 -0.098 0.000 2.410 187 L HA 0.360 4.627 4.340 -0.122 0.000 0.270 187 L C -0.947 175.785 176.870 -0.229 0.000 0.983 187 L CA 0.140 54.890 54.840 -0.151 0.000 0.822 187 L CB 1.818 43.780 42.059 -0.162 0.000 1.285 187 L HN 0.175 8.346 8.230 -0.098 0.000 0.409 188 E N 1.855 121.921 120.200 -0.223 0.000 2.244 188 E HA 0.251 4.479 4.350 -0.203 0.000 0.266 188 E C -1.025 175.410 176.600 -0.276 0.000 0.914 188 E CA -0.472 55.813 56.400 -0.192 0.000 0.794 188 E CB 1.699 31.390 29.700 -0.014 0.000 1.210 188 E HN 0.115 8.372 8.360 -0.172 0.000 0.414 189 H N 1.213 120.328 119.070 0.076 0.000 2.356 189 H HA 0.072 4.669 4.556 0.068 0.000 0.306 189 H C 0.029 175.450 175.328 0.154 0.000 1.142 189 H CA 0.747 56.851 56.048 0.094 0.000 1.673 189 H CB 0.944 30.763 29.762 0.095 0.000 1.505 189 H HN 0.386 8.707 8.280 0.068 0.000 0.638 190 H N -0.248 118.955 119.070 0.222 0.000 2.423 190 H HA 0.262 4.858 4.556 0.066 0.000 0.237 190 H C -1.065 174.309 175.328 0.077 0.000 1.391 190 H CA -0.457 55.654 56.048 0.105 0.000 1.453 190 H CB 0.025 29.836 29.762 0.081 0.000 1.484 190 H HN -0.062 8.478 8.280 0.434 0.000 0.505 191 H N 2.848 121.790 119.070 -0.214 0.000 2.827 191 H HA 0.066 4.480 4.556 -0.237 0.000 0.269 191 H C -0.596 174.525 175.328 -0.346 0.000 1.031 191 H CA -0.273 55.637 56.048 -0.230 0.000 1.202 191 H CB 1.146 30.880 29.762 -0.047 0.000 1.511 191 H HN -0.056 8.259 8.280 0.058 0.000 0.517 192 H N 3.608 122.369 119.070 -0.514 0.000 3.195 192 H HA -0.097 4.065 4.556 -0.656 0.000 0.241 192 H C -1.113 173.833 175.328 -0.637 0.000 1.823 192 H CA 0.303 56.006 56.048 -0.576 0.000 1.466 192 H CB -2.354 27.209 29.762 -0.332 0.000 1.819 192 H HN -0.035 8.084 8.280 -0.190 0.047 0.575 193 H N -0.521 118.181 119.070 -0.613 0.000 4.747 193 H HA -0.303 4.038 4.556 -0.359 0.000 0.260 193 H C -1.728 173.251 175.328 -0.582 0.000 0.537 193 H CA 0.591 56.362 56.048 -0.460 0.000 0.689 193 H CB -0.429 29.145 29.762 -0.314 0.000 0.913 193 H HN 0.096 7.855 8.280 -0.787 0.048 0.306 194 H N 0.000 119.077 119.070 0.012 0.000 2.539 194 H HA 0.000 4.631 4.556 0.125 0.000 0.296 194 H CA 0.000 56.081 56.048 0.054 0.000 1.023 194 H CB 0.000 29.781 29.762 0.032 0.000 1.292 194 H HN 0.000 8.347 8.280 0.112 0.000 0.496