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 3p3g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKQRTLKRI VQATGVGLHT GKKVTLTLRP APANTGVIYR RTDLNPPVDF DATA SEQUENCE PADAKSVRDT MLCTCLVNEH DVRISTVEHL NAALAGLGID NIVIEVNAPE DATA SEQUENCE IPIMDGSAAP FVYLLLDAGI DELNCAKKFV RIKETVRVED GDKWAEFKPY DATA SEQUENCE NGFSLDFTID FNHPAIDSSN QRYAMNFSAD AFMRQISRAR TFGFMRDIEY DATA SEQUENCE LQSRGLCLGG SFDCAIVVDD YRVLNEDGLR FEDEFVRHKM LDAIGDLFMC DATA SEQUENCE GHNIIGAFTA YKSGHALNNK LLQAVLAKQE AWEYVTFQDD AELPLAFKAP 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 4.553 4.480 0.122 0.000 0.227 1 M C 0.000 176.373 176.300 0.122 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.646 32.600 0.077 0.000 1.302 2 I N 5.513 126.192 120.570 0.183 0.000 2.494 2 I HA 0.020 4.289 4.170 0.165 0.000 0.289 2 I C -1.063 175.163 176.117 0.183 0.000 1.106 2 I CA -1.486 59.940 61.300 0.210 0.000 1.369 2 I CB -1.015 37.186 38.000 0.334 0.000 1.410 2 I HN 0.547 8.892 8.210 0.225 0.000 0.523 3 K N 7.547 128.022 120.400 0.125 0.000 2.098 3 K HA 0.365 4.874 4.320 0.073 -0.145 0.261 3 K C -0.256 176.378 176.600 0.057 0.000 0.987 3 K CA -0.911 55.424 56.287 0.080 0.000 0.916 3 K CB 1.422 33.956 32.500 0.056 0.000 1.039 3 K HN 0.250 8.570 8.250 0.117 0.000 0.455 4 Q N 0.296 120.108 119.800 0.020 0.000 2.432 4 Q HA -0.089 4.405 4.340 -0.026 -0.170 0.264 4 Q C 0.098 176.097 176.000 -0.002 0.000 1.035 4 Q CA 1.062 56.858 55.803 -0.013 0.000 0.908 4 Q CB 1.099 29.814 28.738 -0.038 0.000 1.280 4 Q HN -0.156 8.124 8.270 0.016 0.000 0.455 5 R N -0.566 119.928 120.500 -0.010 0.000 2.686 5 R HA 0.861 5.368 4.340 0.005 -0.163 0.286 5 R C -0.551 175.742 176.300 -0.012 0.000 0.969 5 R CA -1.171 54.929 56.100 -0.000 0.000 0.898 5 R CB 4.069 34.377 30.300 0.013 0.000 1.183 5 R HN 0.241 8.779 8.270 -0.023 -0.282 0.456 6 T N 0.590 115.139 114.554 -0.007 0.000 2.669 6 T HA 0.578 5.026 4.350 -0.018 -0.109 0.283 6 T C -1.638 173.060 174.700 -0.003 0.000 1.019 6 T CA -2.926 59.166 62.100 -0.013 0.000 1.039 6 T CB 1.889 70.745 68.868 -0.021 0.000 1.374 6 T HN 0.308 8.547 8.240 -0.002 0.000 0.523 7 L N -0.571 120.649 121.223 -0.004 0.000 2.439 7 L HA 0.318 4.873 4.340 0.011 -0.209 0.261 7 L C 0.333 177.208 176.870 0.007 0.000 1.153 7 L CA 0.094 54.937 54.840 0.005 0.000 0.808 7 L CB 0.599 42.661 42.059 0.005 0.000 1.126 7 L HN 0.467 8.690 8.230 -0.011 0.000 0.460 8 K N 0.117 120.525 120.400 0.014 0.000 2.137 8 K HA -0.095 4.231 4.320 0.011 0.000 0.202 8 K C 0.209 176.817 176.600 0.013 0.000 1.052 8 K CA 1.738 58.033 56.287 0.014 0.000 0.961 8 K CB 0.923 33.434 32.500 0.018 0.000 0.741 8 K HN 0.067 8.233 8.250 0.018 0.095 0.452 9 R N -3.036 117.474 120.500 0.016 0.000 2.774 9 R HA 0.204 4.551 4.340 0.013 0.000 0.272 9 R C -1.622 174.689 176.300 0.018 0.000 1.000 9 R CA -1.498 54.611 56.100 0.016 0.000 0.906 9 R CB 2.010 32.322 30.300 0.020 0.000 1.227 9 R HN -0.571 7.710 8.270 0.018 0.000 0.468 10 I N 1.352 121.932 120.570 0.016 0.000 2.556 10 I HA 0.089 4.486 4.170 0.016 -0.217 0.284 10 I C 0.384 176.517 176.117 0.027 0.000 1.114 10 I CA 0.538 61.849 61.300 0.018 0.000 1.418 10 I CB 0.568 38.577 38.000 0.015 0.000 1.394 10 I HN 0.200 8.418 8.210 0.014 0.000 0.552 11 V N 3.157 123.092 119.914 0.035 0.000 3.040 11 V HA 0.591 4.736 4.120 0.042 0.000 0.312 11 V C -2.057 174.069 176.094 0.053 0.000 1.115 11 V CA -2.336 59.992 62.300 0.046 0.000 0.998 11 V CB 3.571 35.430 31.823 0.059 0.000 1.042 11 V HN 0.294 8.505 8.190 0.034 0.000 0.433 12 Q N 0.329 120.163 119.800 0.057 0.000 2.421 12 Q HA 1.040 5.634 4.340 0.070 -0.212 0.280 12 Q C -1.336 174.708 176.000 0.073 0.000 1.085 12 Q CA -1.613 54.228 55.803 0.064 0.000 0.807 12 Q CB 4.383 33.150 28.738 0.049 0.000 1.405 12 Q HN 0.128 8.431 8.270 0.055 0.000 0.419 13 A N 1.074 123.946 122.820 0.087 0.000 2.566 13 A HA 0.562 4.921 4.320 0.065 0.000 0.292 13 A C -2.785 174.846 177.584 0.079 0.000 1.112 13 A CA -0.545 51.541 52.037 0.083 0.000 0.707 13 A CB 3.367 22.432 19.000 0.109 0.000 1.302 13 A HN 0.543 8.750 8.150 0.094 0.000 0.409 14 T N -2.844 111.746 114.554 0.061 0.000 2.908 14 T HA 1.008 5.586 4.350 0.067 -0.188 0.290 14 T C -0.041 174.690 174.700 0.052 0.000 1.034 14 T CA -2.431 59.703 62.100 0.056 0.000 1.010 14 T CB 2.452 71.343 68.868 0.040 0.000 1.068 14 T HN 0.033 8.303 8.240 0.050 0.000 0.481 15 G N 0.214 109.048 108.800 0.057 0.000 2.559 15 G HA2 0.298 4.277 3.960 0.032 0.000 0.291 15 G HA3 0.298 4.289 3.960 0.051 0.000 0.291 15 G C -2.781 172.149 174.900 0.049 0.000 1.424 15 G CA 0.196 45.324 45.100 0.047 0.000 0.786 15 G HN 0.015 8.342 8.290 0.062 0.000 0.485 16 V N -3.297 116.641 119.914 0.039 0.000 2.686 16 V HA 0.701 5.032 4.120 0.037 -0.188 0.295 16 V C -0.147 175.978 176.094 0.051 0.000 1.057 16 V CA -2.273 60.049 62.300 0.037 0.000 1.012 16 V CB 1.679 33.514 31.823 0.020 0.000 1.006 16 V HN 0.142 8.351 8.190 0.032 0.000 0.477 17 G N 1.164 109.995 108.800 0.053 0.000 2.403 17 G HA2 0.142 4.152 3.960 0.083 0.000 0.259 17 G HA3 0.142 4.322 3.960 0.077 -0.175 0.259 17 G C -0.595 174.338 174.900 0.055 0.000 1.244 17 G CA -0.734 44.409 45.100 0.071 0.000 0.849 17 G HN -0.059 8.259 8.290 0.046 0.000 0.532 18 L N 6.727 127.978 121.223 0.047 0.000 2.042 18 L HA -0.292 4.023 4.340 -0.041 0.000 0.210 18 L C 1.215 178.035 176.870 -0.084 0.000 1.076 18 L CA 2.866 57.680 54.840 -0.045 0.000 0.749 18 L CB 0.147 42.137 42.059 -0.115 0.000 0.893 18 L HN 0.465 8.771 8.230 0.070 -0.034 0.432 19 H N -2.749 116.309 119.070 -0.019 0.000 2.317 19 H HA -0.111 4.431 4.556 -0.024 0.000 0.304 19 H C 2.552 177.868 175.328 -0.021 0.000 1.067 19 H CA 4.689 60.723 56.048 -0.023 0.000 1.352 19 H CB 0.343 30.087 29.762 -0.030 0.000 1.398 19 H HN -0.152 8.719 8.280 0.207 -0.467 0.510 20 T N -4.816 109.812 114.554 0.123 0.000 3.014 20 T HA -0.099 4.284 4.350 0.055 0.000 0.263 20 T C 1.206 175.923 174.700 0.029 0.000 1.078 20 T CA 1.296 63.432 62.100 0.060 0.000 1.135 20 T CB 1.058 69.953 68.868 0.045 0.000 0.895 20 T HN -0.325 8.296 8.240 0.137 -0.299 0.480 21 G N 2.314 111.129 108.800 0.025 0.000 2.166 21 G HA2 -0.343 3.688 3.960 0.005 0.000 0.260 21 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.260 21 G C -0.199 174.708 174.900 0.012 0.000 0.986 21 G CA 0.645 45.750 45.100 0.008 0.000 0.683 21 G HN -0.244 8.066 8.290 0.033 0.000 0.527 22 K N -0.567 119.845 120.400 0.020 0.000 2.123 22 K HA 0.185 4.514 4.320 0.014 0.000 0.248 22 K C -1.310 175.305 176.600 0.025 0.000 0.969 22 K CA -1.416 54.882 56.287 0.019 0.000 0.882 22 K CB 1.858 34.369 32.500 0.019 0.000 1.080 22 K HN -0.678 7.532 8.250 0.027 0.056 0.441 23 K N 2.857 123.271 120.400 0.023 0.000 2.416 23 K HA -0.133 4.340 4.320 0.030 -0.135 0.283 23 K C -0.147 176.474 176.600 0.034 0.000 1.037 23 K CA 0.729 57.033 56.287 0.028 0.000 0.995 23 K CB 0.146 32.660 32.500 0.023 0.000 0.938 23 K HN 0.159 8.420 8.250 0.019 0.000 0.475 24 V N 8.739 128.680 119.914 0.045 0.000 2.513 24 V HA 0.224 4.484 4.120 0.046 -0.113 0.299 24 V C -1.086 175.044 176.094 0.060 0.000 1.035 24 V CA -1.365 60.967 62.300 0.053 0.000 0.889 24 V CB 2.871 34.732 31.823 0.065 0.000 0.988 24 V HN 0.807 9.026 8.190 0.049 0.000 0.440 25 T N 8.527 123.115 114.554 0.056 0.000 2.749 25 T HA 0.368 4.903 4.350 0.063 -0.147 0.287 25 T C -1.754 172.988 174.700 0.071 0.000 0.970 25 T CA 0.183 62.319 62.100 0.059 0.000 0.980 25 T CB 1.171 70.067 68.868 0.046 0.000 0.924 25 T HN 0.432 9.048 8.240 0.050 -0.346 0.456 26 L N 9.405 130.681 121.223 0.088 0.000 2.287 26 L HA 0.693 5.260 4.340 0.091 -0.173 0.287 26 L C -2.161 174.758 176.870 0.083 0.000 1.022 26 L CA -1.711 53.189 54.840 0.100 0.000 0.814 26 L CB 2.735 44.888 42.059 0.155 0.000 1.217 26 L HN 0.678 8.963 8.230 0.093 0.000 0.420 27 T N 9.935 124.526 114.554 0.061 0.000 2.792 27 T HA 0.518 5.067 4.350 0.051 -0.167 0.280 27 T C -1.469 173.248 174.700 0.029 0.000 0.990 27 T CA -0.488 61.640 62.100 0.046 0.000 0.960 27 T CB 1.640 70.529 68.868 0.035 0.000 0.939 27 T HN 0.512 8.786 8.240 0.057 0.000 0.439 28 L N 6.173 127.413 121.223 0.028 0.000 2.307 28 L HA 0.641 5.112 4.340 -0.018 -0.142 0.284 28 L C -1.154 175.716 176.870 -0.000 0.000 1.023 28 L CA -1.311 53.532 54.840 0.004 0.000 0.810 28 L CB 1.301 43.371 42.059 0.018 0.000 1.231 28 L HN 0.572 8.826 8.230 0.040 0.000 0.423 29 R N 1.810 122.298 120.500 -0.020 0.000 2.670 29 R HA 0.573 4.909 4.340 -0.006 0.000 0.289 29 R C -2.589 173.696 176.300 -0.024 0.000 0.965 29 R CA -3.264 52.826 56.100 -0.016 0.000 0.899 29 R CB 1.642 31.931 30.300 -0.018 0.000 1.173 29 R HN 0.530 8.779 8.270 -0.036 0.000 0.456 30 P HA 0.033 4.440 4.420 -0.020 0.000 0.269 30 P C -1.018 176.266 177.300 -0.027 0.000 1.217 30 P CA -0.150 62.939 63.100 -0.019 0.000 0.783 30 P CB 0.474 32.168 31.700 -0.010 0.000 0.898 31 A N 0.812 123.613 122.820 -0.032 0.000 2.606 31 A HA 0.359 4.659 4.320 -0.033 0.000 0.293 31 A C -3.082 174.480 177.584 -0.036 0.000 1.082 31 A CA -2.393 49.621 52.037 -0.038 0.000 0.685 31 A CB 1.535 20.504 19.000 -0.053 0.000 1.284 31 A HN -0.227 7.904 8.150 -0.031 0.000 0.408 32 P HA 0.127 4.531 4.420 -0.027 0.000 0.277 32 P C -1.020 176.256 177.300 -0.040 0.000 1.271 32 P CA -1.007 62.074 63.100 -0.032 0.000 0.795 32 P CB 1.217 32.900 31.700 -0.028 0.000 1.101 33 A N -1.263 121.535 122.820 -0.036 0.000 2.520 33 A HA -0.319 4.068 4.320 -0.048 -0.095 0.235 33 A C 0.212 177.765 177.584 -0.052 0.000 1.065 33 A CA 1.519 53.530 52.037 -0.043 0.000 0.764 33 A CB 0.098 19.078 19.000 -0.034 0.000 1.002 33 A HN 0.034 8.166 8.150 -0.030 0.000 0.502 34 N N -2.401 116.259 118.700 -0.067 0.000 2.955 34 N HA -0.323 4.367 4.740 -0.083 0.000 0.230 34 N C 0.589 176.053 175.510 -0.076 0.000 0.891 34 N CA 2.575 55.582 53.050 -0.073 0.000 1.002 34 N CB -1.034 37.418 38.487 -0.059 0.000 1.063 34 N HN 0.381 9.064 8.380 -0.073 -0.347 0.601 35 T N -3.284 111.226 114.554 -0.074 0.000 3.023 35 T HA -0.130 4.182 4.350 -0.063 0.000 0.266 35 T C 0.362 175.006 174.700 -0.094 0.000 1.093 35 T CA 0.880 62.937 62.100 -0.072 0.000 1.129 35 T CB 1.041 69.872 68.868 -0.061 0.000 0.899 35 T HN -0.648 7.516 8.240 -0.071 0.033 0.491 36 G N 1.336 110.062 108.800 -0.124 0.000 2.632 36 G HA2 -0.314 3.652 3.960 -0.214 0.000 0.224 36 G HA3 -0.314 3.542 3.960 -0.173 0.000 0.224 36 G C -2.093 172.713 174.900 -0.157 0.000 1.341 36 G CA -0.576 44.422 45.100 -0.171 0.000 0.880 36 G HN -0.387 8.153 8.290 -0.121 -0.323 0.566 37 V N 1.340 121.145 119.914 -0.182 0.000 2.383 37 V HA 0.284 4.437 4.120 -0.198 -0.151 0.275 37 V C -0.731 175.268 176.094 -0.158 0.000 1.036 37 V CA -0.375 61.812 62.300 -0.189 0.000 0.889 37 V CB 0.609 32.322 31.823 -0.183 0.000 0.985 37 V HN 0.209 8.273 8.190 -0.211 0.000 0.459 38 I N 6.458 126.908 120.570 -0.201 0.000 2.418 38 I HA 0.294 4.458 4.170 -0.011 0.000 0.287 38 I C -1.402 174.605 176.117 -0.185 0.000 1.008 38 I CA -2.188 59.048 61.300 -0.106 0.000 1.104 38 I CB 1.591 39.554 38.000 -0.062 0.000 1.264 38 I HN 0.303 8.372 8.210 -0.236 0.000 0.438 39 Y N 6.878 127.218 120.300 0.066 0.000 2.334 39 Y HA 0.431 5.164 4.550 0.040 -0.159 0.328 39 Y C -1.189 174.831 175.900 0.199 0.000 1.130 39 Y CA -0.729 57.421 58.100 0.083 0.000 1.163 39 Y CB 2.553 41.027 38.460 0.024 0.000 1.207 39 Y HN 0.237 8.715 8.280 0.331 0.000 0.471 40 R N 1.293 121.962 120.500 0.283 0.000 2.533 40 R HA 0.807 5.544 4.340 0.329 -0.199 0.288 40 R C -1.830 174.605 176.300 0.225 0.000 1.039 40 R CA -1.507 54.743 56.100 0.250 0.000 0.909 40 R CB 4.342 34.708 30.300 0.110 0.000 1.195 40 R HN 0.752 9.159 8.270 0.228 0.000 0.438 41 R N 6.896 127.565 120.500 0.281 0.000 2.254 41 R HA 0.562 5.160 4.340 0.141 -0.173 0.318 41 R C 0.339 176.710 176.300 0.119 0.000 1.031 41 R CA -0.345 55.869 56.100 0.189 0.000 0.905 41 R CB 1.363 31.807 30.300 0.240 0.000 1.050 41 R HN 0.297 8.796 8.270 0.382 0.000 0.456 42 T N 1.506 116.109 114.554 0.081 0.000 3.085 42 T HA 0.434 4.815 4.350 0.052 0.000 0.264 42 T C 0.072 174.799 174.700 0.044 0.000 1.019 42 T CA -0.827 61.305 62.100 0.055 0.000 0.910 42 T CB 0.387 69.281 68.868 0.044 0.000 1.059 42 T HN 0.572 8.858 8.240 0.077 0.000 0.542 43 D N 1.798 122.227 120.400 0.048 0.000 2.097 43 D HA -0.203 4.455 4.640 0.030 0.000 0.197 43 D C 0.081 176.401 176.300 0.034 0.000 0.984 43 D CA 1.966 55.987 54.000 0.036 0.000 0.826 43 D CB -1.153 39.666 40.800 0.032 0.000 0.973 43 D HN -0.132 8.272 8.370 0.056 0.000 0.460 44 L N 0.143 121.392 121.223 0.044 0.000 2.485 44 L HA -0.041 4.317 4.340 0.030 0.000 0.275 44 L C -0.689 176.197 176.870 0.027 0.000 1.207 44 L CA 0.240 55.103 54.840 0.038 0.000 0.855 44 L CB 0.666 42.757 42.059 0.054 0.000 1.114 44 L HN -0.578 7.686 8.230 0.057 0.000 0.485 45 N N 0.899 119.609 118.700 0.016 0.000 2.504 45 N HA 0.296 5.042 4.740 0.010 0.000 0.280 45 N C -1.792 173.719 175.510 0.002 0.000 1.052 45 N CA -2.360 50.695 53.050 0.009 0.000 0.887 45 N CB 1.274 39.766 38.487 0.007 0.000 1.323 45 N HN -0.022 8.366 8.380 0.014 0.000 0.509 46 P HA 0.482 4.903 4.420 0.001 0.000 0.272 46 P C -2.816 174.486 177.300 0.003 0.000 1.230 46 P CA -0.948 62.151 63.100 -0.002 0.000 0.788 46 P CB -0.595 31.100 31.700 -0.009 0.000 0.949 47 P HA 0.040 4.706 4.420 0.033 -0.226 0.270 47 P C -1.521 175.773 177.300 -0.010 0.000 1.223 47 P CA -0.271 62.839 63.100 0.016 0.000 0.785 47 P CB 1.194 32.906 31.700 0.019 0.000 0.923 48 V N 1.514 121.426 119.914 -0.004 0.000 2.540 48 V HA 0.123 4.146 4.120 -0.162 0.000 0.302 48 V C -1.325 174.647 176.094 -0.203 0.000 1.035 48 V CA -1.045 61.171 62.300 -0.141 0.000 0.873 48 V CB 2.879 34.593 31.823 -0.182 0.000 0.992 48 V HN -0.023 8.199 8.190 0.054 0.000 0.428 49 D N 5.728 125.945 120.400 -0.306 0.000 2.175 49 D HA 0.346 5.111 4.640 -0.018 -0.136 0.248 49 D C -0.936 175.108 176.300 -0.427 0.000 1.047 49 D CA -0.848 53.035 54.000 -0.196 0.000 0.883 49 D CB 1.870 42.607 40.800 -0.105 0.000 1.180 49 D HN 0.208 8.398 8.370 -0.300 0.000 0.438 50 F N 2.101 122.074 119.950 0.039 0.000 2.552 50 F HA 0.389 4.924 4.527 0.014 0.000 0.369 50 F C -2.705 173.133 175.800 0.063 0.000 1.112 50 F CA -2.329 55.696 58.000 0.041 0.000 1.129 50 F CB 1.664 40.693 39.000 0.048 0.000 1.360 50 F HN 0.641 9.126 8.300 0.309 0.000 0.473 51 P HA 0.031 4.619 4.420 0.070 -0.126 0.268 51 P C -1.356 176.008 177.300 0.107 0.000 1.205 51 P CA -0.423 62.725 63.100 0.080 0.000 0.771 51 P CB 0.358 32.063 31.700 0.010 0.000 0.858 52 A N 3.856 126.731 122.820 0.092 0.000 2.404 52 A HA -0.117 4.260 4.320 0.095 0.000 0.273 52 A C -1.440 176.130 177.584 -0.024 0.000 1.144 52 A CA 0.413 52.491 52.037 0.068 0.000 0.806 52 A CB 0.632 19.682 19.000 0.084 0.000 1.080 52 A HN 0.027 8.216 8.150 0.064 0.000 0.509 53 D N 2.316 122.703 120.400 -0.021 0.000 2.837 53 D HA 0.048 4.707 4.640 -0.061 -0.057 0.220 53 D C -0.251 176.026 176.300 -0.037 0.000 1.236 53 D CA -0.760 53.217 54.000 -0.039 0.000 0.838 53 D CB 3.189 43.978 40.800 -0.019 0.000 1.647 53 D HN -0.271 8.095 8.370 -0.006 0.000 0.486 54 A N 4.507 127.297 122.820 -0.050 0.000 1.978 54 A HA -0.197 4.101 4.320 -0.036 0.000 0.220 54 A C 1.626 179.198 177.584 -0.020 0.000 1.170 54 A CA 2.722 54.736 52.037 -0.038 0.000 0.636 54 A CB 0.142 19.113 19.000 -0.048 0.000 0.810 54 A HN 0.648 8.761 8.150 -0.061 0.000 0.448 55 K N -3.285 117.104 120.400 -0.017 0.000 2.432 55 K HA -0.172 4.146 4.320 -0.003 0.000 0.196 55 K C 1.146 177.744 176.600 -0.003 0.000 1.038 55 K CA 2.210 58.493 56.287 -0.007 0.000 0.986 55 K CB 0.070 32.567 32.500 -0.005 0.000 0.782 55 K HN -0.436 8.046 8.250 -0.020 -0.244 0.485 56 S N -1.114 114.583 115.700 -0.004 0.000 2.556 56 S HA 0.044 4.520 4.470 0.010 0.000 0.216 56 S C -1.075 173.518 174.600 -0.011 0.000 0.970 56 S CA 0.073 58.276 58.200 0.006 0.000 0.912 56 S CB 0.696 63.914 63.200 0.030 0.000 0.790 56 S HN -0.556 7.589 8.310 -0.008 0.160 0.504 57 V N 2.760 122.659 119.914 -0.025 0.000 2.732 57 V HA 0.098 4.350 4.120 -0.075 -0.177 0.297 57 V C -0.270 175.801 176.094 -0.038 0.000 1.060 57 V CA 0.685 62.956 62.300 -0.049 0.000 1.038 57 V CB 0.753 32.551 31.823 -0.041 0.000 1.003 57 V HN -1.069 7.055 8.190 -0.019 0.055 0.481 58 R N 4.072 124.536 120.500 -0.060 0.000 2.628 58 R HA 0.248 4.577 4.340 -0.019 0.000 0.288 58 R C -2.121 174.145 176.300 -0.057 0.000 0.980 58 R CA -3.026 53.050 56.100 -0.041 0.000 0.891 58 R CB 3.228 33.506 30.300 -0.037 0.000 1.188 58 R HN 0.095 8.312 8.270 -0.089 0.000 0.450 59 D N 2.974 123.364 120.400 -0.016 0.000 2.468 59 D HA 0.112 4.715 4.640 -0.062 0.000 0.218 59 D C 0.220 176.524 176.300 0.008 0.000 1.155 59 D CA -0.934 53.064 54.000 -0.003 0.000 0.924 59 D CB -0.074 40.776 40.800 0.083 0.000 1.029 59 D HN 0.222 8.595 8.370 0.006 0.000 0.515 60 T N -0.431 114.111 114.554 -0.019 0.000 2.788 60 T HA 0.139 4.499 4.350 0.015 0.000 0.280 60 T C 0.334 175.058 174.700 0.041 0.000 0.984 60 T CA -1.221 60.885 62.100 0.010 0.000 0.972 60 T CB 0.894 69.764 68.868 0.004 0.000 1.039 60 T HN -0.480 7.725 8.240 -0.058 0.000 0.530 61 M N 0.641 120.274 119.600 0.056 0.000 2.108 61 M HA -0.227 4.289 4.480 0.061 0.000 0.261 61 M C -1.020 175.310 176.300 0.051 0.000 1.066 61 M CA 2.874 58.209 55.300 0.060 0.000 1.107 61 M CB 0.027 32.665 32.600 0.064 0.000 1.356 61 M HN 0.100 8.425 8.290 0.058 0.000 0.406 62 L N -1.856 119.392 121.223 0.042 0.000 2.272 62 L HA 0.166 4.497 4.340 -0.015 0.000 0.289 62 L C -0.414 176.453 176.870 -0.004 0.000 1.032 62 L CA -1.016 53.816 54.840 -0.015 0.000 0.810 62 L CB -0.627 41.330 42.059 -0.170 0.000 1.205 62 L HN -0.343 7.932 8.230 0.075 0.000 0.422 63 C N -0.712 118.580 119.300 -0.012 0.000 0.168 63 C HA -0.410 4.089 4.460 -0.054 -0.071 0.017 63 C C -0.356 174.478 174.990 -0.260 0.000 0.171 63 C CA 1.302 60.254 59.018 -0.109 0.000 0.499 63 C CB -0.312 27.346 27.740 -0.135 0.000 3.212 63 C HN 0.923 9.172 8.230 0.031 0.000 1.118 64 T N -2.226 112.123 114.554 -0.342 0.000 2.831 64 T HA 0.554 4.829 4.350 -0.264 -0.083 0.287 64 T C -1.706 172.847 174.700 -0.246 0.000 1.070 64 T CA -1.793 60.109 62.100 -0.330 0.000 1.010 64 T CB 3.291 71.890 68.868 -0.448 0.000 1.264 64 T HN -0.091 8.206 8.240 -0.325 -0.252 0.532 65 C N -2.748 116.416 119.300 -0.227 0.000 3.291 65 C HA 0.870 5.248 4.460 -0.311 -0.104 0.316 65 C C -2.439 172.407 174.990 -0.240 0.000 1.391 65 C CA -3.226 55.638 59.018 -0.257 0.000 1.394 65 C CB 3.636 31.241 27.740 -0.224 0.000 1.744 65 C HN 0.220 8.329 8.230 -0.201 0.000 0.461 66 L N -0.268 120.774 121.223 -0.302 0.000 2.334 66 L HA 0.844 5.304 4.340 -0.119 -0.191 0.276 66 L C -0.636 176.158 176.870 -0.127 0.000 1.014 66 L CA -1.638 53.088 54.840 -0.190 0.000 0.815 66 L CB 2.763 44.711 42.059 -0.185 0.000 1.268 66 L HN 0.079 8.067 8.230 -0.404 0.000 0.428 67 V N -3.255 116.690 119.914 0.051 0.000 2.815 67 V HA 0.971 5.400 4.120 0.198 -0.190 0.314 67 V C -1.595 174.657 176.094 0.263 0.000 1.064 67 V CA -3.139 59.257 62.300 0.160 0.000 0.952 67 V CB 2.807 34.670 31.823 0.066 0.000 1.020 67 V HN 0.123 8.341 8.190 0.046 0.000 0.439 68 N N 2.656 121.519 118.700 0.271 0.000 2.566 68 N HA 0.146 4.890 4.740 0.006 0.000 0.299 68 N C 1.282 176.761 175.510 -0.052 0.000 1.277 68 N CA -1.809 51.257 53.050 0.026 0.000 0.965 68 N CB 1.766 40.146 38.487 -0.178 0.000 1.142 68 N HN -0.094 8.500 8.380 0.358 0.000 0.596 69 E N -0.333 119.745 120.200 -0.203 0.000 2.265 69 E HA -0.212 4.034 4.350 -0.174 0.000 0.196 69 E C 0.197 176.613 176.600 -0.307 0.000 0.996 69 E CA 2.840 59.064 56.400 -0.294 0.000 0.832 69 E CB -0.873 28.564 29.700 -0.437 0.000 0.756 69 E HN 0.341 8.551 8.360 -0.250 0.000 0.491 70 H N -1.895 117.176 119.070 0.001 0.000 2.520 70 H HA 0.221 4.779 4.556 0.004 0.000 0.284 70 H C -1.028 174.314 175.328 0.024 0.000 1.037 70 H CA -0.853 55.199 56.048 0.007 0.000 1.168 70 H CB -0.040 29.720 29.762 -0.003 0.000 1.497 70 H HN -0.596 7.790 8.280 -0.163 -0.203 0.547 71 D N -5.405 115.058 120.400 0.104 0.000 3.041 71 D HA -0.482 4.203 4.640 0.075 0.000 0.220 71 D C -1.143 175.222 176.300 0.108 0.000 1.157 71 D CA 2.251 56.304 54.000 0.088 0.000 0.876 71 D CB -1.857 38.980 40.800 0.062 0.000 1.107 71 D HN -0.149 8.122 8.370 0.064 0.138 0.422 72 V N -1.038 118.975 119.914 0.164 0.000 2.715 72 V HA -0.174 4.025 4.120 0.132 0.000 0.299 72 V C -1.150 175.102 176.094 0.263 0.000 1.054 72 V CA 1.229 63.648 62.300 0.198 0.000 1.077 72 V CB 0.614 32.581 31.823 0.240 0.000 0.972 72 V HN -0.614 7.841 8.190 0.180 -0.157 0.484 73 R N 2.870 123.422 120.500 0.088 0.000 2.854 73 R HA 0.894 5.320 4.340 -0.161 -0.182 0.271 73 R C -1.505 174.507 176.300 -0.481 0.000 0.994 73 R CA -2.025 53.975 56.100 -0.166 0.000 0.945 73 R CB 3.897 34.097 30.300 -0.166 0.000 1.194 73 R HN 0.022 8.324 8.270 0.054 0.000 0.476 74 I N 0.910 120.988 120.570 -0.821 0.000 2.466 74 I HA 0.639 4.683 4.170 -0.499 -0.173 0.289 74 I C -2.359 173.462 176.117 -0.494 0.000 1.026 74 I CA -1.937 58.941 61.300 -0.703 0.000 1.078 74 I CB 3.371 40.818 38.000 -0.922 0.000 1.249 74 I HN 0.097 7.795 8.210 -0.853 0.000 0.429 75 S N 8.890 124.376 115.700 -0.357 0.000 2.664 75 S HA 0.685 5.097 4.470 -0.295 -0.119 0.304 75 S C -0.456 174.019 174.600 -0.208 0.000 1.099 75 S CA -1.300 56.732 58.200 -0.281 0.000 1.003 75 S CB 2.451 65.471 63.200 -0.300 0.000 1.092 75 S HN 0.357 8.478 8.310 -0.315 0.000 0.525 76 T N 0.131 114.583 114.554 -0.170 0.000 4.131 76 T HA -0.362 3.976 4.350 -0.207 -0.112 0.347 76 T C 0.081 174.637 174.700 -0.240 0.000 0.755 76 T CA 1.197 63.196 62.100 -0.168 0.000 1.936 76 T CB -1.994 66.850 68.868 -0.040 0.000 1.861 76 T HN 0.758 8.898 8.240 -0.167 0.000 0.863 77 V N -6.994 112.712 119.914 -0.347 0.000 3.235 77 V HA -0.063 3.826 4.120 -0.386 0.000 0.259 77 V C 0.883 176.820 176.094 -0.262 0.000 1.133 77 V CA 1.820 63.855 62.300 -0.441 0.000 1.128 77 V CB 0.434 31.726 31.823 -0.885 0.000 0.757 77 V HN -0.335 7.636 8.190 -0.365 0.000 0.469 78 E N 0.547 120.606 120.200 -0.234 0.000 2.216 78 E HA -0.303 4.021 4.350 -0.043 0.000 0.192 78 E C 1.002 177.669 176.600 0.112 0.000 0.988 78 E CA 2.746 59.100 56.400 -0.076 0.000 0.834 78 E CB -1.252 28.404 29.700 -0.074 0.000 0.772 78 E HN 0.553 8.692 8.360 -0.300 0.041 0.479 79 H N 0.064 119.192 119.070 0.098 0.000 2.372 79 H HA -0.154 4.527 4.556 0.208 0.000 0.301 79 H C 1.850 177.268 175.328 0.151 0.000 1.065 79 H CA 1.826 57.999 56.048 0.208 0.000 1.364 79 H CB 0.209 30.189 29.762 0.362 0.000 1.406 79 H HN -0.233 7.982 8.280 -0.109 0.000 0.521 80 L N -0.712 120.472 121.223 -0.065 0.000 2.046 80 L HA -0.294 3.695 4.340 -0.585 0.000 0.208 80 L C 1.031 177.875 176.870 -0.043 0.000 1.077 80 L CA 2.635 57.206 54.840 -0.449 0.000 0.747 80 L CB -0.360 41.211 42.059 -0.814 0.000 0.896 80 L HN -0.100 8.058 8.230 -0.120 0.000 0.432 81 N N -1.169 117.580 118.700 0.082 0.000 2.166 81 N HA -0.366 4.515 4.740 0.236 0.000 0.186 81 N C 1.765 177.351 175.510 0.126 0.000 1.019 81 N CA 3.448 56.611 53.050 0.189 0.000 0.856 81 N CB -0.043 38.572 38.487 0.215 0.000 0.993 81 N HN -0.231 8.114 8.380 0.061 0.072 0.426 82 A N -1.009 121.885 122.820 0.123 0.000 1.933 82 A HA -0.200 4.107 4.320 -0.022 0.000 0.218 82 A C 1.725 179.201 177.584 -0.180 0.000 1.175 82 A CA 2.931 54.995 52.037 0.045 0.000 0.628 82 A CB -0.845 18.312 19.000 0.262 0.000 0.814 82 A HN -0.311 7.943 8.150 0.172 0.000 0.444 83 A N -1.231 121.628 122.820 0.065 0.000 1.933 83 A HA -0.296 4.059 4.320 0.057 0.000 0.218 83 A C 2.015 179.523 177.584 -0.126 0.000 1.175 83 A CA 2.919 54.990 52.037 0.057 0.000 0.628 83 A CB -0.893 18.274 19.000 0.280 0.000 0.814 83 A HN -0.562 7.697 8.150 0.183 0.000 0.444 84 L N -2.203 118.950 121.223 -0.117 0.000 2.012 84 L HA -0.488 3.791 4.340 -0.101 0.000 0.210 84 L C 2.265 178.846 176.870 -0.483 0.000 1.073 84 L CA 2.984 57.724 54.840 -0.167 0.000 0.748 84 L CB -0.694 41.379 42.059 0.023 0.000 0.891 84 L HN -0.288 7.909 8.230 -0.055 0.000 0.431 85 A N -1.695 120.619 122.820 -0.843 0.000 1.877 85 A HA -0.277 3.108 4.320 -1.558 0.000 0.216 85 A C 2.804 180.148 177.584 -0.401 0.000 1.186 85 A CA 2.767 54.162 52.037 -1.071 0.000 0.620 85 A CB -0.856 17.586 19.000 -0.929 0.000 0.822 85 A HN -0.451 7.282 8.150 -0.696 0.000 0.443 86 G N -1.349 107.128 108.800 -0.539 0.000 2.440 86 G HA2 -0.286 3.513 3.960 -0.268 0.000 0.218 86 G HA3 -0.286 3.081 3.960 -0.989 0.000 0.218 86 G C 0.892 175.727 174.900 -0.108 0.000 1.154 86 G CA 1.768 46.570 45.100 -0.497 0.000 0.767 86 G HN -0.147 7.688 8.290 -0.757 0.000 0.552 87 L N -2.659 118.501 121.223 -0.105 0.000 2.607 87 L HA 0.092 4.443 4.340 0.019 0.000 0.228 87 L C -0.750 176.117 176.870 -0.004 0.000 1.123 87 L CA -0.985 53.846 54.840 -0.014 0.000 0.890 87 L CB -0.025 42.035 42.059 0.002 0.000 1.103 87 L HN -0.553 7.578 8.230 -0.166 0.000 0.468 88 G N -1.790 106.985 108.800 -0.042 0.000 2.272 88 G HA2 -0.364 3.565 3.960 -0.052 0.000 0.280 88 G HA3 -0.364 3.627 3.960 0.052 0.000 0.280 88 G C -0.186 174.700 174.900 -0.024 0.000 1.067 88 G CA 0.114 45.205 45.100 -0.015 0.000 0.902 88 G HN -0.674 7.390 8.290 -0.105 0.162 0.500 89 I N -0.856 119.684 120.570 -0.050 0.000 2.342 89 I HA -0.095 4.075 4.170 -0.001 0.000 0.291 89 I C -1.545 174.610 176.117 0.062 0.000 1.010 89 I CA -1.607 59.692 61.300 -0.001 0.000 1.308 89 I CB -1.484 36.514 38.000 -0.004 0.000 1.400 89 I HN -0.316 7.832 8.210 -0.104 0.000 0.488 90 D N 4.619 125.026 120.400 0.012 0.000 2.394 90 D HA 0.156 4.806 4.640 0.017 0.000 0.226 90 D C -0.724 175.526 176.300 -0.085 0.000 0.990 90 D CA 1.575 55.556 54.000 -0.033 0.000 0.902 90 D CB 2.178 42.920 40.800 -0.096 0.000 1.038 90 D HN 0.140 8.503 8.370 -0.011 0.000 0.499 91 N N -1.597 117.062 118.700 -0.068 0.000 2.346 91 N HA 0.451 5.223 4.740 -0.106 -0.096 0.289 91 N C -1.943 173.524 175.510 -0.072 0.000 1.027 91 N CA -0.495 52.505 53.050 -0.083 0.000 0.864 91 N CB 3.329 41.771 38.487 -0.074 0.000 1.370 91 N HN -0.593 7.757 8.380 -0.050 0.000 0.481 92 I N 2.209 122.721 120.570 -0.096 0.000 2.800 92 I HA 0.477 4.733 4.170 -0.077 -0.132 0.294 92 I C -3.135 172.900 176.117 -0.136 0.000 1.538 92 I CA -0.528 60.711 61.300 -0.101 0.000 1.010 92 I CB 4.254 42.191 38.000 -0.105 0.000 1.381 92 I HN 0.580 8.723 8.210 -0.112 0.000 0.462 93 V N 6.856 126.702 119.914 -0.112 0.000 2.417 93 V HA 0.480 4.677 4.120 -0.148 -0.166 0.291 93 V C -1.508 174.510 176.094 -0.127 0.000 1.024 93 V CA -1.328 60.901 62.300 -0.118 0.000 0.861 93 V CB 2.201 33.985 31.823 -0.064 0.000 0.985 93 V HN -0.068 8.071 8.190 -0.086 0.000 0.436 94 I N 8.494 128.952 120.570 -0.187 0.000 2.382 94 I HA 0.398 4.642 4.170 -0.103 -0.135 0.285 94 I C -1.763 174.338 176.117 -0.028 0.000 1.007 94 I CA -1.041 60.166 61.300 -0.154 0.000 1.142 94 I CB 1.560 39.340 38.000 -0.367 0.000 1.289 94 I HN 0.735 8.807 8.210 -0.230 0.000 0.453 95 E N 7.222 127.432 120.200 0.016 0.000 2.191 95 E HA 0.895 5.505 4.350 0.073 -0.217 0.274 95 E C -0.674 175.967 176.600 0.068 0.000 0.948 95 E CA -2.149 54.283 56.400 0.053 0.000 0.802 95 E CB 2.960 32.684 29.700 0.040 0.000 1.137 95 E HN 0.474 8.839 8.360 0.009 0.000 0.397 96 V N -2.751 117.211 119.914 0.080 0.000 2.789 96 V HA 0.885 5.260 4.120 0.067 -0.215 0.311 96 V C -0.964 175.166 176.094 0.060 0.000 1.073 96 V CA -3.567 58.775 62.300 0.069 0.000 0.921 96 V CB 3.478 35.341 31.823 0.067 0.000 1.009 96 V HN 0.443 8.687 8.190 0.091 0.000 0.426 97 N N 3.455 122.186 118.700 0.050 0.000 2.843 97 N HA 0.032 4.871 4.740 0.044 -0.073 0.284 97 N C -1.568 173.964 175.510 0.036 0.000 1.274 97 N CA -1.496 51.579 53.050 0.042 0.000 1.045 97 N CB -1.753 36.756 38.487 0.036 0.000 1.370 97 N HN -0.099 8.312 8.380 0.050 0.000 0.525 98 A N -1.474 121.367 122.820 0.034 0.000 2.511 98 A HA 0.295 4.721 4.320 0.018 -0.096 0.293 98 A C -2.730 174.855 177.584 0.001 0.000 1.098 98 A CA -1.050 50.999 52.037 0.020 0.000 0.643 98 A CB -0.028 18.986 19.000 0.023 0.000 1.302 98 A HN -0.771 7.318 8.150 0.040 0.085 0.446 99 P HA 0.178 4.554 4.420 -0.073 0.000 0.249 99 P C -1.884 175.337 177.300 -0.132 0.000 1.229 99 P CA 0.471 63.522 63.100 -0.083 0.000 0.788 99 P CB 0.669 32.307 31.700 -0.103 0.000 1.072 100 E N -6.210 113.946 120.200 -0.072 0.000 2.412 100 E HA 0.335 4.760 4.350 -0.124 -0.149 0.279 100 E C -1.577 175.023 176.600 -0.001 0.000 0.984 100 E CA -2.381 53.980 56.400 -0.064 0.000 0.788 100 E CB 2.746 32.443 29.700 -0.005 0.000 1.277 100 E HN -0.671 7.605 8.360 -0.033 0.064 0.455 101 I N 0.159 120.729 120.570 -0.001 0.000 2.634 101 I HA 0.124 4.346 4.170 0.086 0.000 0.284 101 I C -1.163 175.033 176.117 0.131 0.000 1.124 101 I CA -3.204 58.137 61.300 0.068 0.000 1.417 101 I CB -0.963 37.053 38.000 0.027 0.000 1.396 101 I HN -0.093 8.088 8.210 -0.049 0.000 0.571 102 P HA -0.060 4.561 4.420 0.130 -0.123 0.268 102 P C -0.910 176.530 177.300 0.234 0.000 1.205 102 P CA -0.621 62.586 63.100 0.178 0.000 0.771 102 P CB 0.671 32.474 31.700 0.171 0.000 0.858 103 I N 4.620 125.283 120.570 0.154 0.000 2.761 103 I HA -0.164 4.142 4.170 0.226 0.000 0.261 103 I C 0.507 176.701 176.117 0.128 0.000 1.198 103 I CA -0.622 60.777 61.300 0.165 0.000 1.482 103 I CB 0.740 38.795 38.000 0.092 0.000 1.100 103 I HN -0.172 8.106 8.210 0.113 0.000 0.445 104 M N -3.786 115.845 119.600 0.052 0.000 7.319 104 M HA -0.491 3.965 4.480 -0.040 0.000 0.311 104 M C -0.342 175.943 176.300 -0.026 0.000 0.480 104 M CA 2.226 57.500 55.300 -0.045 0.000 1.311 104 M CB -2.567 29.892 32.600 -0.236 0.000 0.421 104 M HN -0.060 8.240 8.290 0.064 0.028 0.799 105 D N -0.517 119.852 120.400 -0.052 0.000 2.325 105 D HA 0.010 4.852 4.640 -0.018 -0.213 0.225 105 D C 1.316 177.608 176.300 -0.014 0.000 1.096 105 D CA -0.875 53.108 54.000 -0.028 0.000 0.844 105 D CB 0.213 40.989 40.800 -0.040 0.000 0.925 105 D HN 0.147 8.460 8.370 -0.094 0.000 0.513 106 G N -1.224 107.590 108.800 0.023 0.000 2.195 106 G HA2 -0.394 3.620 3.960 0.112 0.000 0.246 106 G HA3 -0.394 3.679 3.960 -0.021 -0.126 0.246 106 G C -0.312 174.573 174.900 -0.025 0.000 0.984 106 G CA 0.638 45.758 45.100 0.032 0.000 0.633 106 G HN -0.012 8.238 8.290 0.047 0.068 0.525 107 S N -0.134 115.558 115.700 -0.012 0.000 2.795 107 S HA 0.534 4.968 4.470 -0.060 0.000 0.308 107 S C -0.875 173.761 174.600 0.060 0.000 1.098 107 S CA -1.858 56.328 58.200 -0.023 0.000 0.934 107 S CB 2.717 65.913 63.200 -0.007 0.000 1.300 107 S HN -0.471 8.065 8.310 -0.010 -0.232 0.566 108 A N -2.493 120.385 122.820 0.098 0.000 2.267 108 A HA 0.143 4.788 4.320 0.542 0.000 0.213 108 A C 0.835 178.519 177.584 0.166 0.000 1.192 108 A CA 0.506 52.728 52.037 0.308 0.000 0.851 108 A CB 0.261 19.508 19.000 0.412 0.000 0.881 108 A HN 0.162 8.332 8.150 0.034 0.000 0.494 109 A N 0.322 123.153 122.820 0.018 0.000 1.933 109 A HA -0.125 4.156 4.320 -0.065 0.000 0.218 109 A C -1.464 176.126 177.584 0.010 0.000 1.175 109 A CA 4.336 56.361 52.037 -0.020 0.000 0.628 109 A CB -2.620 16.390 19.000 0.017 0.000 0.814 109 A HN -0.371 7.778 8.150 -0.001 0.000 0.444 110 P HA -0.137 4.404 4.420 0.202 0.000 0.220 110 P C 1.098 178.363 177.300 -0.058 0.000 1.148 110 P CA 2.703 65.772 63.100 -0.052 0.000 0.803 110 P CB -0.307 31.217 31.700 -0.294 0.000 0.782 111 F N -3.870 116.164 119.950 0.139 0.000 2.325 111 F HA -0.180 4.420 4.527 0.122 0.000 0.299 111 F C 1.994 177.840 175.800 0.077 0.000 1.090 111 F CA 2.855 60.927 58.000 0.119 0.000 1.392 111 F CB -0.914 38.166 39.000 0.135 0.000 1.053 111 F HN -0.568 7.559 8.300 -0.268 0.012 0.521 112 V N 0.977 120.986 119.914 0.159 0.000 2.295 112 V HA -0.598 3.567 4.120 0.076 0.000 0.246 112 V C 1.636 177.686 176.094 -0.074 0.000 1.049 112 V CA 4.721 67.015 62.300 -0.011 0.000 1.024 112 V CB -0.208 31.501 31.823 -0.191 0.000 0.648 112 V HN -0.776 7.392 8.190 0.127 0.099 0.447 113 Y N -2.839 117.514 120.300 0.089 0.000 2.242 113 Y HA -0.321 4.264 4.550 0.058 0.000 0.291 113 Y C 2.176 178.120 175.900 0.073 0.000 1.137 113 Y CA 3.681 61.817 58.100 0.061 0.000 1.181 113 Y CB -0.896 37.581 38.460 0.029 0.000 0.989 113 Y HN -0.830 7.391 8.280 -0.098 0.000 0.527 114 L N 0.100 121.467 121.223 0.240 0.000 2.046 114 L HA -0.231 4.209 4.340 0.167 0.000 0.208 114 L C 1.724 178.683 176.870 0.148 0.000 1.077 114 L CA 2.604 57.557 54.840 0.190 0.000 0.747 114 L CB -0.251 41.945 42.059 0.228 0.000 0.896 114 L HN -0.656 7.724 8.230 0.250 0.000 0.432 115 L N -2.503 118.806 121.223 0.143 0.000 2.093 115 L HA -0.493 3.900 4.340 0.087 0.000 0.208 115 L C 2.381 179.298 176.870 0.078 0.000 1.085 115 L CA 3.017 57.916 54.840 0.097 0.000 0.755 115 L CB -0.381 41.730 42.059 0.087 0.000 0.904 115 L HN -0.363 7.966 8.230 0.164 0.000 0.435 116 L N -1.628 119.646 121.223 0.084 0.000 2.083 116 L HA -0.499 3.878 4.340 0.062 0.000 0.209 116 L C 2.369 179.288 176.870 0.082 0.000 1.083 116 L CA 2.777 57.664 54.840 0.078 0.000 0.752 116 L CB -0.591 41.522 42.059 0.090 0.000 0.899 116 L HN -0.370 7.914 8.230 0.089 0.000 0.433 117 D N -2.096 118.362 120.400 0.097 0.000 2.182 117 D HA -0.255 4.429 4.640 0.074 0.000 0.201 117 D C 1.796 178.133 176.300 0.061 0.000 0.986 117 D CA 3.339 57.386 54.000 0.080 0.000 0.847 117 D CB -0.340 40.511 40.800 0.085 0.000 0.942 117 D HN -0.331 8.110 8.370 0.117 0.000 0.467 118 A N -3.220 119.637 122.820 0.061 0.000 2.072 118 A HA -0.056 4.289 4.320 0.042 0.000 0.216 118 A C -0.260 177.346 177.584 0.037 0.000 1.156 118 A CA 0.370 52.435 52.037 0.046 0.000 0.701 118 A CB 0.561 19.587 19.000 0.045 0.000 0.816 118 A HN -0.809 7.247 8.150 0.069 0.135 0.458 119 G N -3.047 105.778 108.800 0.041 0.000 2.828 119 G HA2 -0.302 3.681 3.960 0.038 0.000 0.463 119 G HA3 -0.302 3.677 3.960 0.032 0.000 0.463 119 G C -2.394 172.524 174.900 0.029 0.000 1.394 119 G CA -0.567 44.554 45.100 0.035 0.000 0.862 119 G HN -0.672 7.546 8.290 0.047 0.100 0.540 120 I N -0.061 120.525 120.570 0.027 0.000 2.474 120 I HA 0.506 4.849 4.170 0.021 -0.160 0.294 120 I C -1.096 175.034 176.117 0.021 0.000 1.005 120 I CA -2.200 59.114 61.300 0.024 0.000 1.113 120 I CB 2.097 40.114 38.000 0.029 0.000 1.289 120 I HN 0.029 8.256 8.210 0.029 0.000 0.436 121 D N 7.237 127.647 120.400 0.016 0.000 2.481 121 D HA 0.222 4.871 4.640 0.016 0.000 0.246 121 D C -1.481 174.827 176.300 0.014 0.000 1.109 121 D CA -2.052 51.956 54.000 0.014 0.000 0.845 121 D CB 2.410 43.215 40.800 0.008 0.000 1.160 121 D HN 0.384 8.762 8.370 0.013 0.000 0.534 122 E N 4.327 124.539 120.200 0.018 0.000 2.316 122 E HA 0.150 4.648 4.350 0.021 -0.135 0.275 122 E C -0.512 176.097 176.600 0.014 0.000 1.029 122 E CA 0.136 56.549 56.400 0.021 0.000 0.871 122 E CB 0.819 30.536 29.700 0.030 0.000 1.022 122 E HN 0.224 8.596 8.360 0.020 0.000 0.418 123 L N 3.161 124.390 121.223 0.010 0.000 2.344 123 L HA 0.281 4.623 4.340 0.004 0.000 0.272 123 L C 0.092 176.967 176.870 0.009 0.000 1.035 123 L CA -1.279 53.563 54.840 0.004 0.000 0.807 123 L CB 1.738 43.794 42.059 -0.006 0.000 1.237 123 L HN 0.319 8.556 8.230 0.011 0.000 0.442 124 N N 3.140 121.843 118.700 0.006 0.000 3.245 124 N HA -0.018 4.732 4.740 0.016 0.000 0.296 124 N C -1.433 174.080 175.510 0.005 0.000 1.254 124 N CA 0.172 53.228 53.050 0.009 0.000 1.190 124 N CB -1.115 37.376 38.487 0.008 0.000 1.460 124 N HN 0.272 8.654 8.380 0.003 0.000 0.538 125 C N 1.202 120.506 119.300 0.006 0.000 3.006 125 C HA 0.184 4.643 4.460 -0.001 0.000 0.359 125 C C -2.454 172.541 174.990 0.008 0.000 1.103 125 C CA -1.216 57.801 59.018 -0.002 0.000 1.286 125 C CB 3.084 30.814 27.740 -0.017 0.000 1.694 125 C HN -0.333 7.848 8.230 0.011 0.055 0.511 126 A N 6.773 129.601 122.820 0.012 0.000 2.546 126 A HA -0.064 4.452 4.320 0.066 -0.156 0.243 126 A C -1.110 176.488 177.584 0.024 0.000 1.063 126 A CA 0.713 52.772 52.037 0.037 0.000 0.757 126 A CB 0.402 19.420 19.000 0.029 0.000 0.991 126 A HN 0.439 8.591 8.150 0.004 0.000 0.503 127 K N 5.242 125.682 120.400 0.066 0.000 2.339 127 K HA -0.017 4.265 4.320 -0.063 0.000 0.286 127 K C -0.558 176.044 176.600 0.004 0.000 1.050 127 K CA -0.062 56.221 56.287 -0.008 0.000 0.956 127 K CB 0.736 33.233 32.500 -0.006 0.000 0.990 127 K HN -0.163 8.158 8.250 0.119 0.000 0.475 128 K N 4.199 124.551 120.400 -0.080 0.000 2.156 128 K HA 0.406 4.923 4.320 0.083 -0.148 0.271 128 K C -0.296 176.260 176.600 -0.073 0.000 0.995 128 K CA -0.953 55.324 56.287 -0.017 0.000 0.890 128 K CB 1.632 34.006 32.500 -0.209 0.000 1.073 128 K HN 0.175 8.378 8.250 -0.079 0.000 0.454 129 F N 2.328 122.324 119.950 0.077 0.000 2.492 129 F HA 0.417 5.062 4.527 0.016 -0.108 0.327 129 F C -0.231 175.606 175.800 0.062 0.000 1.079 129 F CA -1.427 56.593 58.000 0.034 0.000 0.967 129 F CB 3.595 42.600 39.000 0.010 0.000 1.169 129 F HN 0.559 9.125 8.300 0.443 0.000 0.472 130 V N 2.159 122.144 119.914 0.117 0.000 2.353 130 V HA 0.035 4.325 4.120 0.076 -0.125 0.264 130 V C -1.238 174.879 176.094 0.039 0.000 1.049 130 V CA -0.262 62.039 62.300 0.002 0.000 0.896 130 V CB 0.437 32.087 31.823 -0.288 0.000 1.025 130 V HN 0.377 8.596 8.190 0.048 0.000 0.475 131 R N 9.048 129.617 120.500 0.115 0.000 2.202 131 R HA 0.250 4.778 4.340 0.089 -0.135 0.334 131 R C -0.739 175.614 176.300 0.088 0.000 1.036 131 R CA -1.389 54.767 56.100 0.094 0.000 0.878 131 R CB 1.648 32.000 30.300 0.086 0.000 1.067 131 R HN 0.551 8.912 8.270 0.152 0.000 0.457 132 I N 7.300 127.896 120.570 0.043 0.000 2.598 132 I HA -0.173 4.163 4.170 0.073 -0.122 0.284 132 I C 0.239 176.417 176.117 0.101 0.000 1.140 132 I CA -0.184 61.152 61.300 0.060 0.000 1.420 132 I CB -1.437 36.588 38.000 0.041 0.000 1.387 132 I HN 0.073 8.296 8.210 0.021 0.000 0.553 133 K N 4.912 125.370 120.400 0.097 0.000 2.477 133 K HA 0.243 4.611 4.320 0.081 0.000 0.208 133 K C -0.266 176.377 176.600 0.072 0.000 1.117 133 K CA -0.763 55.568 56.287 0.073 0.000 1.039 133 K CB 2.071 34.591 32.500 0.033 0.000 0.937 133 K HN 0.542 8.856 8.250 0.107 0.000 0.570 134 E N -0.134 120.121 120.200 0.092 0.000 2.340 134 E HA 0.194 4.590 4.350 0.076 0.000 0.273 134 E C -1.510 175.161 176.600 0.119 0.000 0.891 134 E CA -1.014 55.439 56.400 0.087 0.000 0.757 134 E CB 2.768 32.510 29.700 0.071 0.000 1.231 134 E HN -0.729 7.696 8.360 0.107 0.000 0.439 135 T N 3.362 117.981 114.554 0.108 0.000 2.870 135 T HA -0.082 4.551 4.350 0.165 -0.184 0.300 135 T C -0.439 174.335 174.700 0.124 0.000 0.989 135 T CA 0.964 63.139 62.100 0.126 0.000 1.139 135 T CB 0.537 69.457 68.868 0.086 0.000 0.920 135 T HN 0.207 8.500 8.240 0.088 0.000 0.537 136 V N 6.242 126.257 119.914 0.168 0.000 2.577 136 V HA 0.415 4.609 4.120 0.123 0.000 0.303 136 V C -2.385 173.808 176.094 0.166 0.000 1.042 136 V CA -0.918 61.478 62.300 0.160 0.000 0.872 136 V CB 2.965 34.903 31.823 0.191 0.000 0.998 136 V HN 0.195 8.512 8.190 0.212 0.000 0.423 137 R N 6.844 127.416 120.500 0.120 0.000 2.686 137 R HA 0.772 5.358 4.340 0.150 -0.156 0.283 137 R C -1.320 175.049 176.300 0.115 0.000 0.978 137 R CA -1.648 54.521 56.100 0.115 0.000 0.897 137 R CB 3.206 33.531 30.300 0.041 0.000 1.192 137 R HN 0.115 8.444 8.270 0.099 0.000 0.457 138 V N 0.155 120.157 119.914 0.147 0.000 3.001 138 V HA 0.690 4.873 4.120 0.105 0.000 0.314 138 V C -1.997 174.192 176.094 0.158 0.000 1.099 138 V CA -2.384 59.995 62.300 0.131 0.000 0.989 138 V CB 3.584 35.483 31.823 0.128 0.000 1.040 138 V HN 0.691 8.988 8.190 0.178 0.000 0.434 139 E N 0.088 120.365 120.200 0.127 0.000 2.383 139 E HA 0.432 5.031 4.350 0.195 -0.132 0.275 139 E C -2.323 174.338 176.600 0.102 0.000 0.918 139 E CA -1.216 55.271 56.400 0.144 0.000 0.764 139 E CB 4.290 34.065 29.700 0.124 0.000 1.252 139 E HN 0.216 8.638 8.360 0.103 0.000 0.449 140 D N 1.643 122.103 120.400 0.100 0.000 2.330 140 D HA 0.202 4.878 4.640 0.061 0.000 0.249 140 D C -0.274 176.066 176.300 0.067 0.000 1.306 140 D CA -0.986 53.054 54.000 0.068 0.000 0.956 140 D CB 0.926 41.755 40.800 0.049 0.000 1.261 140 D HN 0.065 8.507 8.370 0.122 0.000 0.544 141 G N 7.651 116.490 108.800 0.065 0.000 2.620 141 G HA2 -0.475 3.518 3.960 0.055 0.000 0.315 141 G HA3 -0.475 3.517 3.960 0.053 0.000 0.315 141 G C -0.160 174.799 174.900 0.097 0.000 1.179 141 G CA 1.905 47.043 45.100 0.064 0.000 0.971 141 G HN 0.282 8.607 8.290 0.059 0.000 0.544 142 D N 4.854 125.319 120.400 0.107 0.000 2.348 142 D HA -0.014 4.735 4.640 0.181 0.000 0.211 142 D C 0.458 176.921 176.300 0.271 0.000 0.998 142 D CA 0.319 54.423 54.000 0.174 0.000 0.873 142 D CB 0.005 40.894 40.800 0.148 0.000 0.925 142 D HN 0.183 8.602 8.370 0.082 0.000 0.524 143 K N -0.383 120.112 120.400 0.159 0.000 2.118 143 K HA 0.287 4.762 4.320 0.036 -0.134 0.264 143 K C -0.681 176.042 176.600 0.205 0.000 1.000 143 K CA -0.367 55.966 56.287 0.077 0.000 0.929 143 K CB 1.553 34.023 32.500 -0.050 0.000 1.021 143 K HN -0.455 7.818 8.250 0.107 0.041 0.463 144 W N -2.714 118.599 121.300 0.021 0.000 3.137 144 W HA 0.652 5.444 4.660 -0.010 -0.138 0.324 144 W C -3.213 173.256 176.519 -0.082 0.000 1.253 144 W CA -1.796 55.538 57.345 -0.018 0.000 1.183 144 W CB 2.999 32.446 29.460 -0.022 0.000 1.424 144 W HN 0.023 7.986 8.180 -0.361 0.000 0.566 145 A N -1.569 121.386 122.820 0.224 0.000 2.486 145 A HA 0.926 5.298 4.320 -0.188 -0.164 0.300 145 A C -2.675 175.027 177.584 0.196 0.000 1.048 145 A CA -0.964 51.098 52.037 0.041 0.000 0.696 145 A CB 3.890 22.910 19.000 0.034 0.000 1.278 145 A HN 0.381 8.705 8.150 0.290 0.000 0.405 146 E N 0.571 120.822 120.200 0.084 0.000 2.390 146 E HA 1.016 5.637 4.350 0.191 -0.157 0.277 146 E C -2.357 174.286 176.600 0.072 0.000 0.939 146 E CA -1.939 54.546 56.400 0.142 0.000 0.769 146 E CB 4.160 33.957 29.700 0.162 0.000 1.251 146 E HN 0.487 8.773 8.360 -0.124 0.000 0.450 147 F N 0.757 120.836 119.950 0.216 0.000 2.495 147 F HA 0.848 5.766 4.527 0.293 -0.215 0.327 147 F C -0.981 174.929 175.800 0.183 0.000 1.103 147 F CA -1.758 56.391 58.000 0.248 0.000 0.949 147 F CB 3.961 43.115 39.000 0.256 0.000 1.142 147 F HN 0.255 8.781 8.300 0.377 0.000 0.457 148 K N 2.276 122.947 120.400 0.451 0.000 2.385 148 K HA 0.578 5.050 4.320 0.253 0.000 0.248 148 K C -2.622 174.175 176.600 0.329 0.000 0.955 148 K CA -3.232 53.233 56.287 0.297 0.000 0.816 148 K CB 2.185 34.801 32.500 0.193 0.000 1.250 148 K HN 0.315 8.874 8.250 0.516 0.000 0.434 149 P HA -0.070 4.619 4.420 0.237 -0.126 0.268 149 P C -1.404 176.098 177.300 0.337 0.000 1.204 149 P CA 0.323 63.568 63.100 0.242 0.000 0.768 149 P CB 0.168 31.965 31.700 0.163 0.000 0.842 150 Y N 4.792 125.195 120.300 0.172 0.000 2.393 150 Y HA -0.029 4.604 4.550 0.139 0.000 0.320 150 Y C -2.148 173.858 175.900 0.177 0.000 1.241 150 Y CA -0.592 57.610 58.100 0.171 0.000 1.122 150 Y CB 2.657 41.243 38.460 0.209 0.000 1.322 150 Y HN -0.170 8.293 8.280 0.305 0.000 0.441 151 N N 7.370 125.806 118.700 -0.440 0.000 3.124 151 N HA 0.058 4.717 4.740 -0.135 0.000 0.284 151 N C -1.438 173.732 175.510 -0.567 0.000 1.209 151 N CA -1.084 51.765 53.050 -0.335 0.000 1.149 151 N CB -1.256 37.123 38.487 -0.180 0.000 1.434 151 N HN 0.311 8.434 8.380 -0.428 0.000 0.529 152 G N 0.669 109.231 108.800 -0.396 0.000 2.336 152 G HA2 -0.014 3.906 3.960 -0.066 0.000 0.286 152 G HA3 -0.014 3.770 3.960 -0.294 0.000 0.286 152 G C -3.460 171.648 174.900 0.347 0.000 1.269 152 G CA 0.003 45.015 45.100 -0.147 0.000 0.873 152 G HN -0.616 7.543 8.290 -0.159 0.036 0.494 153 F N 0.042 120.122 119.950 0.216 0.000 2.612 153 F HA 0.918 5.949 4.527 0.463 -0.227 0.332 153 F C -2.150 173.865 175.800 0.358 0.000 1.167 153 F CA -3.207 54.980 58.000 0.312 0.000 0.970 153 F CB 2.957 41.980 39.000 0.039 0.000 1.234 153 F HN 0.136 8.651 8.300 0.357 0.000 0.453 154 S N 6.882 122.755 115.700 0.288 0.000 2.568 154 S HA 0.729 5.283 4.470 -0.082 -0.133 0.293 154 S C -2.032 172.536 174.600 -0.053 0.000 1.089 154 S CA -2.165 56.027 58.200 -0.013 0.000 0.945 154 S CB 3.140 66.292 63.200 -0.080 0.000 1.077 154 S HN 0.050 8.682 8.310 0.537 0.000 0.485 155 L N 0.722 121.915 121.223 -0.050 0.000 2.409 155 L HA 0.581 5.277 4.340 0.306 -0.173 0.272 155 L C -1.799 175.141 176.870 0.117 0.000 0.980 155 L CA 0.195 55.125 54.840 0.149 0.000 0.826 155 L CB 3.712 45.866 42.059 0.159 0.000 1.268 155 L HN 0.222 8.415 8.230 -0.063 0.000 0.407 156 D N 3.374 123.821 120.400 0.078 0.000 2.389 156 D HA 0.308 5.086 4.640 0.037 -0.116 0.256 156 D C -2.232 174.049 176.300 -0.033 0.000 1.239 156 D CA -0.767 53.236 54.000 0.004 0.000 0.925 156 D CB 2.430 43.189 40.800 -0.068 0.000 1.145 156 D HN 0.218 8.610 8.370 0.037 0.000 0.542 157 F N 7.378 127.315 119.950 -0.023 0.000 2.402 157 F HA 0.448 5.031 4.527 -0.131 -0.134 0.355 157 F C -1.829 173.955 175.800 -0.026 0.000 1.123 157 F CA -1.213 56.766 58.000 -0.034 0.000 1.021 157 F CB 3.742 42.793 39.000 0.086 0.000 1.160 157 F HN 0.838 9.309 8.300 0.283 0.000 0.451 158 T N 10.329 124.774 114.554 -0.182 0.000 2.771 158 T HA 0.541 5.079 4.350 0.089 -0.135 0.281 158 T C -0.930 173.673 174.700 -0.161 0.000 0.982 158 T CA -0.347 61.725 62.100 -0.046 0.000 0.978 158 T CB 1.197 70.085 68.868 0.034 0.000 0.930 158 T HN 0.144 8.124 8.240 -0.434 0.000 0.447 159 I N 0.771 121.341 120.570 0.000 0.000 2.676 159 I HA 0.295 4.320 4.170 -0.241 0.000 0.309 159 I C -1.881 174.083 176.117 -0.254 0.000 0.990 159 I CA -2.406 58.810 61.300 -0.140 0.000 1.168 159 I CB 1.697 39.682 38.000 -0.025 0.000 1.343 159 I HN 0.509 8.776 8.210 0.094 0.000 0.482 160 D N 2.496 122.643 120.400 -0.422 0.000 2.456 160 D HA 0.182 4.717 4.640 -0.176 0.000 0.287 160 D C -1.815 174.328 176.300 -0.261 0.000 1.186 160 D CA -1.496 52.321 54.000 -0.306 0.000 0.916 160 D CB -0.652 39.925 40.800 -0.373 0.000 1.029 160 D HN 0.043 8.091 8.370 -0.535 0.000 0.498 161 F N 0.227 120.125 119.950 -0.086 0.000 2.422 161 F HA 0.186 4.660 4.527 -0.089 0.000 0.333 161 F C -0.430 175.327 175.800 -0.072 0.000 1.095 161 F CA -0.989 56.953 58.000 -0.097 0.000 1.038 161 F CB 2.219 41.117 39.000 -0.170 0.000 1.156 161 F HN -0.501 7.824 8.300 0.042 0.000 0.483 162 N N 0.579 119.424 118.700 0.242 0.000 2.291 162 N HA 0.059 4.839 4.740 0.066 0.000 0.244 162 N C -1.382 174.139 175.510 0.017 0.000 1.216 162 N CA -0.071 53.030 53.050 0.085 0.000 0.879 162 N CB 0.605 39.120 38.487 0.047 0.000 1.167 162 N HN 0.067 8.650 8.380 0.338 0.000 0.515 163 H N 3.471 122.471 119.070 -0.116 0.000 2.610 163 H HA 0.322 4.774 4.556 -0.175 0.000 0.336 163 H C -0.675 174.557 175.328 -0.160 0.000 1.087 163 H CA -0.250 55.667 56.048 -0.218 0.000 1.405 163 H CB 2.094 31.581 29.762 -0.457 0.000 1.460 163 H HN -0.203 8.057 8.280 0.070 0.061 0.538 164 P HA -0.083 4.302 4.420 -0.058 0.000 0.222 164 P C -0.680 176.658 177.300 0.064 0.000 1.147 164 P CA 1.527 64.571 63.100 -0.093 0.000 0.790 164 P CB 0.252 31.882 31.700 -0.116 0.000 0.780 165 A N -4.519 118.470 122.820 0.282 0.000 2.238 165 A HA -0.033 4.365 4.320 0.130 0.000 0.208 165 A C -0.576 177.000 177.584 -0.013 0.000 1.177 165 A CA 0.278 52.409 52.037 0.157 0.000 0.804 165 A CB 0.689 19.792 19.000 0.172 0.000 0.823 165 A HN -0.345 8.234 8.150 0.776 0.037 0.482 166 I N -1.168 119.347 120.570 -0.091 0.000 2.448 166 I HA 0.068 4.181 4.170 -0.095 0.000 0.281 166 I C -1.363 174.743 176.117 -0.020 0.000 1.027 166 I CA -0.820 60.392 61.300 -0.146 0.000 1.111 166 I CB 0.775 38.540 38.000 -0.392 0.000 1.236 166 I HN -0.768 7.350 8.210 -0.036 0.071 0.452 167 D N 5.942 126.358 120.400 0.026 0.000 2.354 167 D HA 0.110 4.769 4.640 0.032 0.000 0.247 167 D C 1.255 177.584 176.300 0.049 0.000 1.138 167 D CA -0.809 53.214 54.000 0.039 0.000 0.958 167 D CB 2.356 43.184 40.800 0.047 0.000 1.144 167 D HN -0.077 8.318 8.370 0.042 0.000 0.458 168 S N 4.245 119.972 115.700 0.046 0.000 2.383 168 S HA -0.280 4.223 4.470 0.055 0.000 0.229 168 S C 1.301 175.936 174.600 0.059 0.000 1.030 168 S CA 2.945 61.176 58.200 0.051 0.000 1.002 168 S CB -0.058 63.168 63.200 0.043 0.000 0.829 168 S HN 0.356 8.690 8.310 0.040 0.000 0.467 169 S N 0.835 116.569 115.700 0.056 0.000 2.595 169 S HA -0.084 4.420 4.470 0.057 0.000 0.235 169 S C 0.494 175.143 174.600 0.081 0.000 0.974 169 S CA 1.768 60.005 58.200 0.061 0.000 0.942 169 S CB -0.367 62.865 63.200 0.053 0.000 0.766 169 S HN -0.444 8.091 8.310 0.051 -0.194 0.536 170 N N 0.205 118.959 118.700 0.090 0.000 2.351 170 N HA 0.264 5.081 4.740 0.129 0.000 0.254 170 N C -1.451 174.136 175.510 0.128 0.000 1.241 170 N CA -0.179 52.941 53.050 0.116 0.000 0.883 170 N CB 1.212 39.770 38.487 0.118 0.000 1.202 170 N HN -0.291 7.927 8.380 0.080 0.210 0.512 171 Q N -2.095 117.774 119.800 0.116 0.000 2.317 171 Q HA 0.050 4.466 4.340 0.126 0.000 0.220 171 Q C -1.490 174.590 176.000 0.133 0.000 0.873 171 Q CA 1.153 57.025 55.803 0.115 0.000 0.936 171 Q CB 2.262 31.051 28.738 0.085 0.000 1.105 171 Q HN -0.806 7.527 8.270 0.105 0.000 0.520 172 R N -1.781 118.807 120.500 0.147 0.000 2.750 172 R HA 0.607 5.217 4.340 0.185 -0.159 0.281 172 R C -2.212 174.226 176.300 0.230 0.000 0.972 172 R CA -1.002 55.196 56.100 0.163 0.000 0.912 172 R CB 2.983 33.342 30.300 0.097 0.000 1.187 172 R HN -0.693 7.660 8.270 0.139 0.000 0.464 173 Y N 4.574 124.930 120.300 0.093 0.000 2.504 173 Y HA 0.298 4.867 4.550 0.032 0.000 0.344 173 Y C -2.997 172.942 175.900 0.065 0.000 1.023 173 Y CA -0.404 57.730 58.100 0.056 0.000 1.020 173 Y CB 4.302 42.779 38.460 0.027 0.000 1.282 173 Y HN 0.744 9.208 8.280 0.307 0.000 0.454 174 A N 4.629 127.187 122.820 -0.437 0.000 2.486 174 A HA 1.049 5.544 4.320 -0.059 -0.210 0.300 174 A C -1.889 175.489 177.584 -0.343 0.000 1.048 174 A CA -1.249 50.651 52.037 -0.230 0.000 0.696 174 A CB 2.760 21.667 19.000 -0.155 0.000 1.278 174 A HN 0.244 7.854 8.150 -0.900 0.000 0.405 175 M N 0.395 119.914 119.600 -0.136 0.000 2.520 175 M HA 0.363 4.757 4.480 -0.144 0.000 0.280 175 M C -2.659 173.616 176.300 -0.043 0.000 1.232 175 M CA -0.464 54.778 55.300 -0.097 0.000 0.892 175 M CB 4.077 36.682 32.600 0.008 0.000 1.728 175 M HN 0.508 8.759 8.290 -0.066 0.000 0.475 176 N N 1.901 120.588 118.700 -0.023 0.000 2.422 176 N HA 0.126 4.892 4.740 0.042 0.000 0.264 176 N C -0.874 174.654 175.510 0.029 0.000 1.063 176 N CA 0.302 53.368 53.050 0.026 0.000 0.959 176 N CB 0.387 38.904 38.487 0.050 0.000 1.087 176 N HN 0.133 8.492 8.380 -0.034 0.000 0.483 177 F N 7.295 127.165 119.950 -0.135 0.000 2.518 177 F HA -0.001 4.491 4.527 -0.058 0.000 0.359 177 F C -1.401 174.368 175.800 -0.052 0.000 1.118 177 F CA 1.515 59.452 58.000 -0.106 0.000 1.287 177 F CB 1.403 40.290 39.000 -0.189 0.000 1.132 177 F HN 0.150 8.508 8.300 0.098 0.000 0.587 178 S N 2.967 118.278 115.700 -0.649 0.000 2.611 178 S HA 0.477 5.059 4.470 -0.223 -0.245 0.268 178 S C -0.900 173.340 174.600 -0.600 0.000 1.156 178 S CA -2.002 55.939 58.200 -0.431 0.000 0.817 178 S CB 3.447 66.553 63.200 -0.156 0.000 1.122 178 S HN -0.564 7.209 8.310 -0.894 0.000 0.466 179 A N 1.086 123.762 122.820 -0.239 0.000 1.877 179 A HA -0.285 4.080 4.320 -0.147 -0.133 0.216 179 A C 0.969 178.514 177.584 -0.066 0.000 1.186 179 A CA 3.385 55.353 52.037 -0.114 0.000 0.620 179 A CB -0.108 18.899 19.000 0.012 0.000 0.822 179 A HN 0.816 8.907 8.150 -0.098 0.000 0.443 180 D N -1.067 119.293 120.400 -0.065 0.000 2.117 180 D HA -0.326 4.299 4.640 -0.024 0.000 0.197 180 D C 1.841 178.100 176.300 -0.068 0.000 0.987 180 D CA 3.179 57.153 54.000 -0.044 0.000 0.829 180 D CB -0.839 39.942 40.800 -0.032 0.000 0.961 180 D HN -0.130 8.201 8.370 -0.065 0.000 0.460 181 A N -0.561 122.192 122.820 -0.111 0.000 1.898 181 A HA -0.212 4.060 4.320 -0.081 0.000 0.216 181 A C 1.925 179.433 177.584 -0.127 0.000 1.181 181 A CA 2.866 54.836 52.037 -0.112 0.000 0.620 181 A CB -0.592 18.334 19.000 -0.123 0.000 0.819 181 A HN -0.436 7.630 8.150 -0.139 0.000 0.442 182 F N 0.546 120.302 119.950 -0.325 0.000 2.102 182 F HA -0.420 3.983 4.527 -0.206 0.000 0.298 182 F C 1.289 177.003 175.800 -0.143 0.000 1.105 182 F CA 3.810 61.657 58.000 -0.255 0.000 1.239 182 F CB 0.303 39.108 39.000 -0.325 0.000 0.991 182 F HN -0.071 8.123 8.300 -0.178 0.000 0.474 183 M N -2.178 117.377 119.600 -0.075 0.000 2.086 183 M HA -0.571 3.790 4.480 -0.199 0.000 0.261 183 M C 2.189 178.379 176.300 -0.183 0.000 1.067 183 M CA 4.278 59.496 55.300 -0.136 0.000 1.116 183 M CB 0.065 32.651 32.600 -0.023 0.000 1.348 183 M HN -0.294 8.026 8.290 0.049 0.000 0.407 184 R N -4.895 115.533 120.500 -0.121 0.000 2.112 184 R HA -0.242 4.080 4.340 -0.030 0.000 0.216 184 R C 2.471 178.734 176.300 -0.062 0.000 1.080 184 R CA 2.662 58.728 56.100 -0.057 0.000 0.996 184 R CB 0.326 30.614 30.300 -0.020 0.000 0.902 184 R HN -0.402 7.805 8.270 -0.106 0.000 0.449 185 Q N -2.471 117.234 119.800 -0.159 0.000 2.259 185 Q HA -0.078 4.121 4.340 -0.234 0.000 0.201 185 Q C 2.432 178.128 176.000 -0.508 0.000 0.938 185 Q CA 2.789 58.437 55.803 -0.257 0.000 0.872 185 Q CB 1.084 29.745 28.738 -0.129 0.000 0.971 185 Q HN -0.134 8.028 8.270 -0.180 0.000 0.494 186 I N -0.945 119.334 120.570 -0.485 0.000 3.300 186 I HA 0.067 3.897 4.170 -0.566 0.000 0.279 186 I C 2.086 177.857 176.117 -0.577 0.000 1.172 186 I CA 0.543 61.501 61.300 -0.570 0.000 1.431 186 I CB 0.038 37.722 38.000 -0.527 0.000 1.240 186 I HN -0.452 7.470 8.210 -0.480 0.000 0.453 187 S N 2.168 117.421 115.700 -0.745 0.000 2.399 187 S HA -0.334 3.729 4.470 -0.678 0.000 0.231 187 S C 1.608 176.087 174.600 -0.201 0.000 1.022 187 S CA 3.820 61.662 58.200 -0.598 0.000 0.983 187 S CB -0.537 62.337 63.200 -0.543 0.000 0.803 187 S HN 0.009 7.852 8.310 -0.778 0.000 0.480 188 R N 0.234 120.690 120.500 -0.073 0.000 2.313 188 R HA 0.035 4.384 4.340 0.015 0.000 0.199 188 R C -0.934 175.448 176.300 0.135 0.000 0.958 188 R CA 0.127 56.263 56.100 0.059 0.000 1.047 188 R CB -0.330 30.038 30.300 0.113 0.000 0.955 188 R HN 0.118 8.333 8.270 -0.066 0.016 0.481 189 A N -0.151 122.731 122.820 0.104 0.000 2.404 189 A HA 0.026 4.620 4.320 0.228 -0.138 0.273 189 A C -0.788 176.882 177.584 0.142 0.000 1.144 189 A CA -0.621 51.494 52.037 0.130 0.000 0.806 189 A CB 0.464 19.438 19.000 -0.042 0.000 1.080 189 A HN -0.271 7.814 8.150 -0.019 0.053 0.509 190 R N 5.572 126.086 120.500 0.024 0.000 2.500 190 R HA 0.064 4.481 4.340 -0.109 -0.142 0.275 190 R C 0.119 176.133 176.300 -0.478 0.000 1.051 190 R CA -1.051 54.971 56.100 -0.130 0.000 1.088 190 R CB 1.447 31.678 30.300 -0.115 0.000 1.063 190 R HN 0.085 8.696 8.270 0.002 -0.340 0.511 191 T N -0.522 113.530 114.554 -0.837 0.000 2.734 191 T HA -0.171 3.207 4.350 -1.621 0.000 0.314 191 T C -1.391 173.147 174.700 -0.269 0.000 1.057 191 T CA 1.489 63.018 62.100 -0.953 0.000 1.047 191 T CB 0.908 69.497 68.868 -0.465 0.000 0.991 191 T HN -0.207 7.576 8.240 -0.589 0.104 0.540 192 F N -2.552 117.304 119.950 -0.157 0.000 2.645 192 F HA 1.147 5.855 4.527 -0.045 -0.208 0.310 192 F C -1.517 174.326 175.800 0.072 0.000 1.102 192 F CA -3.057 54.935 58.000 -0.013 0.000 0.952 192 F CB 3.366 42.429 39.000 0.105 0.000 1.326 192 F HN 0.011 7.855 8.300 -0.759 0.000 0.456 193 G N -1.473 107.497 108.800 0.283 0.000 2.677 193 G HA2 0.121 4.219 3.960 0.231 0.000 0.291 193 G HA3 0.121 4.157 3.960 0.127 0.000 0.291 193 G C -3.051 172.000 174.900 0.252 0.000 1.435 193 G CA -0.637 44.592 45.100 0.214 0.000 0.826 193 G HN 0.134 8.607 8.290 0.306 0.000 0.491 194 F N 1.389 121.382 119.950 0.072 0.000 2.411 194 F HA 0.477 5.168 4.527 0.037 -0.141 0.355 194 F C 0.150 175.974 175.800 0.039 0.000 1.117 194 F CA -1.722 56.306 58.000 0.047 0.000 1.139 194 F CB 1.756 40.785 39.000 0.047 0.000 1.120 194 F HN 0.174 8.688 8.300 0.357 0.000 0.493 195 M N 9.067 128.426 119.600 -0.403 0.000 2.080 195 M HA -0.409 3.972 4.480 -0.165 0.000 0.260 195 M C 0.911 177.031 176.300 -0.299 0.000 1.068 195 M CA 3.031 58.156 55.300 -0.292 0.000 1.109 195 M CB -0.196 32.262 32.600 -0.237 0.000 1.342 195 M HN 0.419 8.425 8.290 -0.474 0.000 0.405 196 R N -2.356 117.818 120.500 -0.543 0.000 2.105 196 R HA -0.299 4.130 4.340 -0.143 -0.175 0.239 196 R C 1.697 178.004 176.300 0.012 0.000 1.135 196 R CA 2.928 58.894 56.100 -0.223 0.000 0.967 196 R CB -1.127 29.065 30.300 -0.181 0.000 0.861 196 R HN 0.262 7.909 8.270 -1.038 0.000 0.442 197 D N -0.388 120.078 120.400 0.109 0.000 2.117 197 D HA -0.179 4.589 4.640 0.214 0.000 0.198 197 D C 2.500 178.888 176.300 0.145 0.000 0.982 197 D CA 3.246 57.368 54.000 0.203 0.000 0.828 197 D CB -0.410 40.551 40.800 0.269 0.000 0.967 197 D HN -0.655 7.770 8.370 0.107 0.009 0.464 198 I N 0.189 120.796 120.570 0.062 0.000 2.226 198 I HA -0.572 3.612 4.170 0.022 0.000 0.245 198 I C 1.715 177.831 176.117 -0.002 0.000 1.100 198 I CA 4.386 65.693 61.300 0.011 0.000 1.374 198 I CB -0.052 37.923 38.000 -0.043 0.000 1.057 198 I HN -0.507 7.725 8.210 0.036 0.000 0.413 199 E N -0.286 119.911 120.200 -0.005 0.000 2.077 199 E HA -0.425 3.902 4.350 -0.038 0.000 0.193 199 E C 2.451 179.072 176.600 0.035 0.000 0.989 199 E CA 3.262 59.659 56.400 -0.006 0.000 0.800 199 E CB -0.218 29.478 29.700 -0.006 0.000 0.746 199 E HN -0.059 8.290 8.360 -0.019 0.000 0.452 200 Y N 0.904 121.194 120.300 -0.016 0.000 2.145 200 Y HA -0.346 4.204 4.550 -0.001 0.000 0.286 200 Y C 1.635 177.534 175.900 -0.002 0.000 1.145 200 Y CA 3.261 61.362 58.100 0.000 0.000 1.148 200 Y CB 0.116 38.588 38.460 0.021 0.000 0.981 200 Y HN -0.531 7.801 8.280 0.222 0.082 0.507 201 L N -2.945 118.286 121.223 0.013 0.000 2.046 201 L HA -0.534 3.744 4.340 -0.103 0.000 0.208 201 L C 2.514 179.310 176.870 -0.123 0.000 1.077 201 L CA 3.134 57.937 54.840 -0.061 0.000 0.747 201 L CB -0.591 41.479 42.059 0.018 0.000 0.896 201 L HN -0.134 8.169 8.230 0.121 0.000 0.432 202 Q N -1.837 117.907 119.800 -0.094 0.000 2.224 202 Q HA -0.172 4.321 4.340 -0.081 -0.202 0.203 202 Q C 3.250 179.181 176.000 -0.114 0.000 0.970 202 Q CA 2.646 58.394 55.803 -0.091 0.000 0.865 202 Q CB 0.012 28.704 28.738 -0.076 0.000 0.922 202 Q HN 0.029 8.257 8.270 -0.069 0.000 0.445 203 S N 0.043 115.646 115.700 -0.162 0.000 2.515 203 S HA -0.150 4.248 4.470 -0.121 0.000 0.231 203 S C 0.364 174.834 174.600 -0.216 0.000 0.987 203 S CA 2.466 60.560 58.200 -0.176 0.000 0.936 203 S CB -0.196 62.892 63.200 -0.187 0.000 0.766 203 S HN -0.339 7.748 8.310 -0.177 0.117 0.528 204 R N -0.438 119.906 120.500 -0.260 0.000 2.468 204 R HA 0.208 4.438 4.340 -0.182 0.000 0.280 204 R C -0.012 176.220 176.300 -0.112 0.000 0.963 204 R CA -1.222 54.753 56.100 -0.208 0.000 1.083 204 R CB -0.831 29.308 30.300 -0.268 0.000 1.200 204 R HN -0.579 7.357 8.270 -0.273 0.170 0.541 205 G N -0.274 108.471 108.800 -0.092 0.000 2.147 205 G HA2 -0.423 3.508 3.960 -0.049 0.000 0.244 205 G HA3 -0.423 3.511 3.960 -0.044 0.000 0.244 205 G C -0.944 173.936 174.900 -0.034 0.000 1.005 205 G CA 0.673 45.741 45.100 -0.053 0.000 0.713 205 G HN -0.354 7.715 8.290 -0.103 0.159 0.515 206 L N -3.373 117.823 121.223 -0.044 0.000 2.286 206 L HA 0.455 4.800 4.340 0.009 0.000 0.265 206 L C 0.414 177.260 176.870 -0.041 0.000 1.012 206 L CA -2.591 52.239 54.840 -0.018 0.000 0.818 206 L CB 2.704 44.760 42.059 -0.004 0.000 1.337 206 L HN -0.550 7.609 8.230 -0.068 0.030 0.438 207 C N -1.409 117.855 119.300 -0.060 0.000 4.268 207 C HA -0.374 4.117 4.460 -0.169 -0.133 0.299 207 C C 1.491 176.435 174.990 -0.077 0.000 1.429 207 C CA 0.365 59.318 59.018 -0.108 0.000 2.018 207 C CB -1.430 26.251 27.740 -0.098 0.000 1.277 207 C HN 0.707 8.906 8.230 -0.051 0.000 0.767 208 L N -1.187 120.008 121.223 -0.047 0.000 2.376 208 L HA -0.089 4.220 4.340 -0.050 0.000 0.219 208 L C 1.313 178.159 176.870 -0.040 0.000 1.133 208 L CA 1.724 56.539 54.840 -0.040 0.000 0.816 208 L CB -0.442 41.604 42.059 -0.022 0.000 0.933 208 L HN -0.391 7.823 8.230 -0.029 -0.002 0.449 209 G N -2.477 106.300 108.800 -0.038 0.000 2.985 209 G HA2 0.079 4.024 3.960 -0.026 0.000 0.209 209 G HA3 0.079 4.237 3.960 -0.019 -0.209 0.209 209 G C -0.067 174.802 174.900 -0.051 0.000 1.165 209 G CA -0.553 44.527 45.100 -0.032 0.000 0.776 209 G HN -0.457 7.681 8.290 -0.040 0.128 0.541 210 G N 1.122 109.877 108.800 -0.076 0.000 2.305 210 G HA2 -0.134 3.775 3.960 -0.084 0.000 0.243 210 G HA3 -0.134 3.761 3.960 -0.107 0.000 0.243 210 G C -1.488 173.339 174.900 -0.122 0.000 1.288 210 G CA 0.564 45.606 45.100 -0.096 0.000 0.901 210 G HN -0.625 7.570 8.290 -0.080 0.047 0.516 211 S N 2.644 118.265 115.700 -0.131 0.000 2.636 211 S HA 0.182 4.481 4.470 -0.284 0.000 0.268 211 S C 0.286 174.800 174.600 -0.144 0.000 1.159 211 S CA -1.410 56.683 58.200 -0.178 0.000 0.815 211 S CB 1.962 65.115 63.200 -0.079 0.000 1.130 211 S HN -0.518 7.731 8.310 -0.103 0.000 0.471 212 F N 0.521 120.456 119.950 -0.025 0.000 2.333 212 F HA -0.049 4.461 4.527 -0.029 0.000 0.300 212 F C 1.578 177.358 175.800 -0.034 0.000 1.083 212 F CA 1.861 59.843 58.000 -0.029 0.000 1.395 212 F CB -0.114 38.869 39.000 -0.028 0.000 1.056 212 F HN 0.418 8.601 8.300 -0.195 0.000 0.529 213 D N -1.580 118.895 120.400 0.125 0.000 2.363 213 D HA -0.018 4.659 4.640 0.061 0.000 0.220 213 D C 0.448 176.764 176.300 0.026 0.000 0.994 213 D CA 2.262 56.297 54.000 0.060 0.000 0.890 213 D CB 0.151 40.972 40.800 0.035 0.000 0.906 213 D HN -0.308 8.084 8.370 0.096 0.036 0.530 214 C N -5.573 113.738 119.300 0.019 0.000 3.525 214 C HA 0.451 4.926 4.460 0.004 -0.012 0.289 214 C C -1.936 173.052 174.990 -0.003 0.000 1.496 214 C CA -2.583 56.438 59.018 0.005 0.000 1.804 214 C CB 1.058 28.800 27.740 0.004 0.000 2.708 214 C HN -0.546 7.547 8.230 0.021 0.150 0.642 215 A N -0.551 122.274 122.820 0.008 0.000 2.605 215 A HA 0.238 4.650 4.320 -0.037 -0.115 0.294 215 A C -2.647 174.962 177.584 0.043 0.000 1.062 215 A CA -0.492 51.544 52.037 -0.002 0.000 0.682 215 A CB 2.633 21.627 19.000 -0.010 0.000 1.278 215 A HN -1.008 7.163 8.150 0.034 0.000 0.410 216 I N 0.281 120.862 120.570 0.019 0.000 2.471 216 I HA -0.060 4.306 4.170 0.041 -0.172 0.286 216 I C -0.790 175.406 176.117 0.132 0.000 1.079 216 I CA 0.716 62.036 61.300 0.033 0.000 1.398 216 I CB 0.785 38.717 38.000 -0.113 0.000 1.403 216 I HN -0.073 8.131 8.210 -0.010 0.000 0.530 217 V N 7.006 127.026 119.914 0.177 0.000 2.487 217 V HA 0.653 5.054 4.120 0.152 -0.189 0.298 217 V C -1.064 175.127 176.094 0.162 0.000 1.028 217 V CA -1.802 60.603 62.300 0.174 0.000 0.860 217 V CB 2.372 34.299 31.823 0.173 0.000 0.991 217 V HN 0.193 8.807 8.190 0.204 -0.302 0.427 218 V N 1.179 121.164 119.914 0.118 0.000 2.769 218 V HA 0.960 5.306 4.120 0.111 -0.159 0.312 218 V C -0.959 175.169 176.094 0.057 0.000 1.058 218 V CA -3.754 58.599 62.300 0.088 0.000 0.952 218 V CB 2.964 34.734 31.823 -0.088 0.000 1.019 218 V HN 0.335 8.600 8.190 0.125 0.000 0.445 219 D N 2.749 123.201 120.400 0.086 0.000 2.475 219 D HA 0.125 4.605 4.640 -0.266 0.000 0.286 219 D C 0.337 176.749 176.300 0.186 0.000 1.205 219 D CA -1.120 52.866 54.000 -0.022 0.000 1.092 219 D CB 0.615 41.416 40.800 0.002 0.000 1.147 219 D HN -0.068 8.381 8.370 0.132 0.000 0.575 220 D N -3.736 116.636 120.400 -0.046 0.000 2.263 220 D HA -0.236 4.431 4.640 0.046 0.000 0.208 220 D C 0.017 175.926 176.300 -0.653 0.000 0.971 220 D CA 3.014 56.804 54.000 -0.350 0.000 0.867 220 D CB 0.088 40.331 40.800 -0.927 0.000 0.929 220 D HN 0.330 8.620 8.370 -0.133 0.000 0.492 221 Y N -5.405 114.940 120.300 0.074 0.000 2.585 221 Y HA 0.129 4.599 4.550 -0.134 0.000 0.272 221 Y C -1.313 174.652 175.900 0.109 0.000 1.119 221 Y CA 0.374 58.469 58.100 -0.008 0.000 1.255 221 Y CB 3.063 41.526 38.460 0.005 0.000 1.284 221 Y HN -0.420 8.167 8.280 0.023 -0.293 0.499 222 R N -4.165 116.531 120.500 0.328 0.000 2.716 222 R HA 0.326 4.818 4.340 0.253 0.000 0.271 222 R C -2.228 174.186 176.300 0.189 0.000 1.028 222 R CA -1.647 54.600 56.100 0.244 0.000 0.883 222 R CB 2.878 33.278 30.300 0.166 0.000 1.250 222 R HN -0.215 8.542 8.270 0.308 -0.302 0.465 223 V N 0.963 120.961 119.914 0.140 0.000 2.529 223 V HA -0.245 4.066 4.120 0.117 -0.121 0.292 223 V C -0.303 175.825 176.094 0.056 0.000 1.028 223 V CA 1.571 63.932 62.300 0.102 0.000 1.074 223 V CB 0.164 32.035 31.823 0.081 0.000 0.958 223 V HN 0.360 8.633 8.190 0.138 0.000 0.481 224 L N 5.282 126.543 121.223 0.063 0.000 2.307 224 L HA -0.053 4.282 4.340 -0.007 0.000 0.211 224 L C 0.258 176.978 176.870 -0.250 0.000 1.099 224 L CA 0.608 55.448 54.840 -0.001 0.000 0.816 224 L CB 0.173 42.339 42.059 0.179 0.000 0.952 224 L HN 0.311 8.606 8.230 0.109 0.000 0.455 225 N N -0.578 117.983 118.700 -0.232 0.000 2.411 225 N HA -0.185 4.092 4.740 -0.772 0.000 0.261 225 N C 0.598 175.928 175.510 -0.299 0.000 1.248 225 N CA 0.897 53.711 53.050 -0.393 0.000 0.885 225 N CB 0.392 38.785 38.487 -0.157 0.000 1.062 225 N HN -0.415 7.920 8.380 -0.075 0.000 0.471 226 E N 3.278 123.266 120.200 -0.354 0.000 2.097 226 E HA -0.372 3.856 4.350 -0.204 0.000 0.196 226 E C 0.069 176.581 176.600 -0.147 0.000 1.000 226 E CA 2.424 58.690 56.400 -0.223 0.000 0.804 226 E CB 0.073 29.650 29.700 -0.205 0.000 0.740 226 E HN 0.491 8.569 8.360 -0.470 0.000 0.454 227 D N -3.878 116.439 120.400 -0.140 0.000 2.340 227 D HA 0.011 4.593 4.640 -0.097 0.000 0.220 227 D C 0.187 176.426 176.300 -0.101 0.000 1.039 227 D CA -0.207 53.728 54.000 -0.108 0.000 0.866 227 D CB 0.350 41.087 40.800 -0.104 0.000 0.913 227 D HN -0.039 8.226 8.370 -0.156 0.012 0.523 228 G N 0.650 109.390 108.800 -0.101 0.000 2.525 228 G HA2 -0.381 3.539 3.960 -0.067 0.000 0.248 228 G HA3 -0.381 3.538 3.960 -0.069 0.000 0.248 228 G C -1.699 173.140 174.900 -0.101 0.000 1.238 228 G CA -0.397 44.654 45.100 -0.081 0.000 0.926 228 G HN -0.460 7.607 8.290 -0.115 0.154 0.574 229 L N 0.346 121.510 121.223 -0.097 0.000 2.343 229 L HA 0.323 4.656 4.340 -0.161 -0.090 0.275 229 L C 1.202 177.967 176.870 -0.176 0.000 1.056 229 L CA -0.681 54.079 54.840 -0.133 0.000 0.804 229 L CB 1.146 43.147 42.059 -0.098 0.000 1.203 229 L HN 0.064 8.249 8.230 -0.074 0.000 0.440 230 R N -0.169 120.181 120.500 -0.250 0.000 2.189 230 R HA -0.115 3.963 4.340 -0.436 0.000 0.218 230 R C 0.185 176.015 176.300 -0.783 0.000 1.074 230 R CA 2.156 57.952 56.100 -0.507 0.000 0.991 230 R CB 0.773 30.716 30.300 -0.595 0.000 0.883 230 R HN 0.182 8.636 8.270 -0.214 -0.313 0.457 231 F N -5.137 114.754 119.950 -0.097 0.000 2.601 231 F HA 0.245 4.741 4.527 -0.052 0.000 0.309 231 F C -0.291 175.478 175.800 -0.052 0.000 1.089 231 F CA -1.832 56.125 58.000 -0.072 0.000 0.940 231 F CB 2.996 41.938 39.000 -0.097 0.000 1.273 231 F HN -0.861 7.380 8.300 -0.054 0.027 0.450 232 E N 2.025 122.327 120.200 0.170 0.000 2.209 232 E HA -0.247 4.160 4.350 0.095 0.000 0.196 232 E C -0.846 175.841 176.600 0.146 0.000 0.993 232 E CA 2.728 59.202 56.400 0.123 0.000 0.819 232 E CB 0.150 29.913 29.700 0.105 0.000 0.745 232 E HN 0.283 8.751 8.360 0.180 0.000 0.477 233 D N -6.242 114.246 120.400 0.148 0.000 2.894 233 D HA 0.056 4.800 4.640 0.173 0.000 0.273 233 D C -0.450 175.875 176.300 0.042 0.000 1.328 233 D CA -1.594 52.480 54.000 0.122 0.000 0.845 233 D CB -1.202 39.666 40.800 0.113 0.000 1.072 233 D HN -0.327 8.118 8.370 0.163 0.023 0.484 234 E N 1.740 121.969 120.200 0.049 0.000 2.118 234 E HA -0.391 3.959 4.350 -0.001 0.000 0.195 234 E C 0.772 177.310 176.600 -0.102 0.000 0.992 234 E CA 3.672 60.050 56.400 -0.037 0.000 0.804 234 E CB 0.097 29.737 29.700 -0.101 0.000 0.741 234 E HN -0.697 7.648 8.360 0.071 0.057 0.458 235 F N -3.210 116.687 119.950 -0.088 0.000 2.075 235 F HA -0.325 4.090 4.527 -0.188 0.000 0.297 235 F C 2.455 178.261 175.800 0.011 0.000 1.113 235 F CA 3.562 61.444 58.000 -0.198 0.000 1.218 235 F CB -0.424 38.279 39.000 -0.494 0.000 0.984 235 F HN -0.158 8.176 8.300 0.082 0.015 0.472 236 V N -0.820 119.203 119.914 0.181 0.000 2.548 236 V HA -0.536 3.657 4.120 0.122 0.000 0.249 236 V C 1.128 177.151 176.094 -0.119 0.000 1.055 236 V CA 3.063 65.415 62.300 0.087 0.000 1.065 236 V CB -0.136 31.776 31.823 0.147 0.000 0.681 236 V HN -0.461 7.846 8.190 0.194 0.000 0.462 237 R N -1.093 119.248 120.500 -0.265 0.000 2.096 237 R HA -0.442 3.500 4.340 -0.663 0.000 0.235 237 R C 2.128 178.262 176.300 -0.277 0.000 1.127 237 R CA 4.009 59.811 56.100 -0.498 0.000 0.968 237 R CB -0.384 29.492 30.300 -0.707 0.000 0.861 237 R HN -0.542 7.590 8.270 -0.231 0.000 0.440 238 H N 0.241 119.224 119.070 -0.145 0.000 2.389 238 H HA -0.219 4.267 4.556 -0.116 0.000 0.299 238 H C 1.991 177.283 175.328 -0.061 0.000 1.081 238 H CA 3.607 59.622 56.048 -0.055 0.000 1.345 238 H CB 0.079 29.902 29.762 0.103 0.000 1.393 238 H HN -0.056 8.182 8.280 0.074 0.087 0.520 239 K N -1.663 118.691 120.400 -0.076 0.000 2.211 239 K HA -0.232 3.960 4.320 -0.213 0.000 0.203 239 K C 2.345 178.523 176.600 -0.703 0.000 1.050 239 K CA 1.624 57.707 56.287 -0.340 0.000 0.945 239 K CB -0.929 31.379 32.500 -0.319 0.000 0.732 239 K HN -0.424 7.782 8.250 0.056 0.078 0.451 240 M N 1.099 120.346 119.600 -0.588 0.000 2.200 240 M HA -0.259 3.951 4.480 -0.450 0.000 0.265 240 M C 1.432 177.637 176.300 -0.159 0.000 1.066 240 M CA 3.678 58.758 55.300 -0.367 0.000 1.127 240 M CB -0.021 32.496 32.600 -0.138 0.000 1.379 240 M HN -0.500 7.411 8.290 -0.468 0.099 0.420 241 L N 0.291 121.394 121.223 -0.200 0.000 2.013 241 L HA -0.552 3.869 4.340 0.135 0.000 0.212 241 L C 1.369 178.214 176.870 -0.042 0.000 1.073 241 L CA 3.605 58.397 54.840 -0.079 0.000 0.753 241 L CB -0.179 41.711 42.059 -0.282 0.000 0.890 241 L HN -0.140 7.919 8.230 -0.284 0.000 0.432 242 D N -1.870 118.417 120.400 -0.189 0.000 2.123 242 D HA -0.362 4.364 4.640 0.145 0.000 0.196 242 D C 1.992 178.327 176.300 0.059 0.000 0.992 242 D CA 3.293 57.297 54.000 0.007 0.000 0.833 242 D CB -0.564 40.217 40.800 -0.032 0.000 0.954 242 D HN -0.277 7.870 8.370 -0.371 0.000 0.455 243 A N 0.293 123.102 122.820 -0.020 0.000 1.902 243 A HA -0.252 4.106 4.320 0.063 0.000 0.217 243 A C 2.078 179.665 177.584 0.005 0.000 1.181 243 A CA 2.990 55.038 52.037 0.019 0.000 0.623 243 A CB -0.394 18.657 19.000 0.084 0.000 0.818 243 A HN -0.455 7.549 8.150 -0.120 0.074 0.443 244 I N -2.392 118.221 120.570 0.072 0.000 2.208 244 I HA -0.586 3.676 4.170 0.153 0.000 0.245 244 I C 2.058 178.255 176.117 0.133 0.000 1.097 244 I CA 3.907 65.291 61.300 0.141 0.000 1.363 244 I CB -0.272 37.875 38.000 0.245 0.000 1.051 244 I HN -0.141 8.115 8.210 0.077 0.000 0.413 245 G N -1.094 107.795 108.800 0.147 0.000 2.402 245 G HA2 -0.392 3.672 3.960 0.173 0.000 0.216 245 G HA3 -0.392 3.836 3.960 0.171 -0.165 0.216 245 G C 0.361 175.351 174.900 0.151 0.000 1.162 245 G CA 1.923 47.122 45.100 0.164 0.000 0.777 245 G HN -0.369 8.012 8.290 0.151 0.000 0.539 246 D N 1.911 122.393 120.400 0.137 0.000 2.104 246 D HA -0.166 4.536 4.640 0.104 0.000 0.194 246 D C 3.003 179.353 176.300 0.084 0.000 0.994 246 D CA 2.940 57.011 54.000 0.118 0.000 0.830 246 D CB -0.200 40.693 40.800 0.154 0.000 0.959 246 D HN -0.197 8.260 8.370 0.145 0.000 0.452 247 L N -1.093 120.175 121.223 0.075 0.000 2.141 247 L HA -0.301 4.074 4.340 0.058 0.000 0.209 247 L C 1.435 178.358 176.870 0.088 0.000 1.094 247 L CA 2.542 57.423 54.840 0.068 0.000 0.763 247 L CB -0.051 42.043 42.059 0.059 0.000 0.908 247 L HN -0.039 8.229 8.230 0.064 0.000 0.437 248 F N -1.260 118.660 119.950 -0.049 0.000 2.811 248 F HA 0.062 4.522 4.527 -0.113 0.000 0.301 248 F C 1.056 176.823 175.800 -0.056 0.000 1.151 248 F CA -0.549 57.404 58.000 -0.078 0.000 1.412 248 F CB 0.123 39.077 39.000 -0.077 0.000 1.113 248 F HN -0.523 7.931 8.300 0.256 0.000 0.579 249 M N 0.033 119.603 119.600 -0.050 0.000 2.446 249 M HA -0.311 4.113 4.480 -0.094 0.000 0.263 249 M C 1.095 177.280 176.300 -0.191 0.000 1.066 249 M CA 1.358 56.595 55.300 -0.104 0.000 1.087 249 M CB -1.558 31.016 32.600 -0.043 0.000 1.406 249 M HN -0.445 7.689 8.290 0.018 0.167 0.459 250 C N -6.185 112.977 119.300 -0.230 0.000 2.539 250 C HA -0.074 4.289 4.460 -0.161 0.000 0.268 250 C C 1.194 175.990 174.990 -0.323 0.000 1.395 250 C CA 0.293 59.183 59.018 -0.214 0.000 1.757 250 C CB 0.624 28.256 27.740 -0.180 0.000 1.851 250 C HN -0.608 7.464 8.230 -0.205 0.034 0.545 251 G N 1.523 109.888 108.800 -0.725 0.000 2.159 251 G HA2 -0.379 2.684 3.960 -1.495 0.000 0.256 251 G HA3 -0.379 3.115 3.960 -0.776 0.000 0.256 251 G C -1.421 172.796 174.900 -1.139 0.000 0.977 251 G CA 0.378 44.834 45.100 -1.073 0.000 0.652 251 G HN -0.047 7.560 8.290 -0.862 0.165 0.531 252 H N -0.167 118.563 119.070 -0.565 0.000 2.717 252 H HA 0.253 4.656 4.556 -0.255 0.000 0.366 252 H C -1.751 173.490 175.328 -0.145 0.000 1.132 252 H CA -1.218 54.659 56.048 -0.284 0.000 1.180 252 H CB 3.377 33.013 29.762 -0.210 0.000 1.678 252 H HN -0.791 7.154 8.280 -0.475 0.051 0.537 253 N N 0.927 119.558 118.700 -0.115 0.000 2.492 253 N HA -0.053 4.540 4.740 -0.244 0.000 0.260 253 N C -1.240 174.076 175.510 -0.324 0.000 1.215 253 N CA 0.940 53.774 53.050 -0.359 0.000 0.923 253 N CB 0.723 38.680 38.487 -0.882 0.000 1.092 253 N HN 0.189 8.430 8.380 -0.233 0.000 0.448 254 I N 0.864 121.199 120.570 -0.392 0.000 2.378 254 I HA 0.339 4.576 4.170 -0.197 -0.184 0.291 254 I C -0.113 175.959 176.117 -0.075 0.000 0.992 254 I CA -1.022 60.101 61.300 -0.294 0.000 1.154 254 I CB 2.151 39.880 38.000 -0.452 0.000 1.315 254 I HN 0.097 7.976 8.210 -0.552 0.000 0.448 255 I N 7.088 127.727 120.570 0.115 0.000 2.281 255 I HA 0.303 4.910 4.170 0.483 -0.147 0.293 255 I C -1.030 175.236 176.117 0.249 0.000 1.085 255 I CA -0.636 60.847 61.300 0.304 0.000 1.257 255 I CB -0.356 37.807 38.000 0.272 0.000 1.430 255 I HN 0.373 8.627 8.210 0.073 0.000 0.489 256 G N 5.888 114.967 108.800 0.464 0.000 2.430 256 G HA2 0.367 4.761 3.960 0.523 0.000 0.300 256 G HA3 0.367 4.601 3.960 0.457 0.000 0.300 256 G C -3.385 172.057 174.900 0.903 0.000 1.330 256 G CA 0.630 46.082 45.100 0.585 0.000 0.813 256 G HN -0.111 8.550 8.290 0.619 0.000 0.487 257 A N -0.770 122.505 122.820 0.758 0.000 2.256 257 A HA 0.700 5.263 4.320 0.404 0.000 0.317 257 A C -2.356 175.451 177.584 0.373 0.000 1.318 257 A CA -2.139 50.164 52.037 0.443 0.000 0.894 257 A CB 1.961 21.028 19.000 0.110 0.000 1.165 257 A HN 0.268 8.835 8.150 0.694 0.000 0.525 258 F N 7.448 127.427 119.950 0.049 0.000 2.410 258 F HA 0.696 5.034 4.527 -0.614 -0.180 0.349 258 F C -1.698 174.022 175.800 -0.133 0.000 1.117 258 F CA -1.385 56.422 58.000 -0.323 0.000 1.104 258 F CB 2.969 41.767 39.000 -0.337 0.000 1.122 258 F HN 0.640 9.186 8.300 0.410 0.000 0.483 259 T N 9.788 123.882 114.554 -0.767 0.000 2.886 259 T HA 0.620 4.795 4.350 -0.609 -0.190 0.292 259 T C -2.333 171.776 174.700 -0.986 0.000 1.012 259 T CA -0.943 60.772 62.100 -0.643 0.000 0.982 259 T CB 2.608 71.412 68.868 -0.106 0.000 1.018 259 T HN 0.351 8.166 8.240 -0.709 0.000 0.451 260 A N 5.266 127.411 122.820 -1.125 0.000 2.515 260 A HA 0.662 4.401 4.320 -1.197 -0.138 0.298 260 A C -3.266 173.546 177.584 -1.285 0.000 1.059 260 A CA -1.375 49.914 52.037 -1.246 0.000 0.698 260 A CB 3.986 22.290 19.000 -1.160 0.000 1.289 260 A HN 0.690 8.266 8.150 -0.957 0.000 0.404 261 Y N 2.741 122.104 120.300 -1.563 0.000 2.332 261 Y HA 0.293 4.410 4.550 -0.933 -0.127 0.326 261 Y C -0.748 174.698 175.900 -0.757 0.000 0.978 261 Y CA -1.806 55.590 58.100 -1.173 0.000 1.205 261 Y CB 3.014 40.652 38.460 -1.370 0.000 1.131 261 Y HN 0.223 7.617 8.280 -1.477 0.000 0.462 262 K N 5.083 124.883 120.400 -0.999 0.000 3.069 262 K HA -0.533 3.433 4.320 -0.590 0.000 0.267 262 K C -1.602 174.743 176.600 -0.425 0.000 1.082 262 K CA 1.314 57.182 56.287 -0.698 0.000 0.782 262 K CB -1.906 30.147 32.500 -0.745 0.000 1.230 262 K HN 0.480 8.150 8.250 -0.967 0.000 0.488 263 S N -3.021 112.414 115.700 -0.441 0.000 2.645 263 S HA -0.073 4.297 4.470 -0.167 0.000 0.266 263 S C -0.675 173.936 174.600 0.019 0.000 1.258 263 S CA 0.413 58.492 58.200 -0.201 0.000 0.990 263 S CB 1.203 64.271 63.200 -0.219 0.000 0.967 263 S HN -0.249 7.644 8.310 -0.662 0.020 0.556 264 G N -1.691 107.137 108.800 0.046 0.000 2.706 264 G HA2 0.234 4.185 3.960 -0.015 0.000 0.307 264 G HA3 0.234 4.165 3.960 -0.049 0.000 0.307 264 G C -0.714 174.194 174.900 0.013 0.000 1.307 264 G CA -0.821 44.273 45.100 -0.010 0.000 0.790 264 G HN -0.179 8.137 8.290 0.043 0.000 0.503 265 H N 0.951 120.078 119.070 0.095 0.000 2.319 265 H HA -0.239 4.592 4.556 0.081 -0.226 0.299 265 H C 2.293 177.659 175.328 0.064 0.000 1.092 265 H CA 3.935 60.027 56.048 0.072 0.000 1.302 265 H CB -0.020 29.768 29.762 0.043 0.000 1.373 265 H HN 0.425 8.549 8.280 -0.260 0.000 0.497 266 A N -1.066 121.863 122.820 0.181 0.000 1.877 266 A HA -0.266 4.119 4.320 0.109 0.000 0.216 266 A C 2.223 179.868 177.584 0.102 0.000 1.186 266 A CA 3.054 55.161 52.037 0.116 0.000 0.620 266 A CB -0.905 18.147 19.000 0.086 0.000 0.822 266 A HN -0.305 8.064 8.150 0.175 -0.114 0.443 267 L N -2.108 119.172 121.223 0.095 0.000 2.109 267 L HA -0.213 4.181 4.340 0.090 0.000 0.207 267 L C 1.809 178.760 176.870 0.135 0.000 1.086 267 L CA 2.380 57.277 54.840 0.095 0.000 0.760 267 L CB -0.284 41.810 42.059 0.059 0.000 0.910 267 L HN -0.481 7.800 8.230 0.086 0.000 0.437 268 N N -0.444 118.354 118.700 0.164 0.000 2.120 268 N HA -0.371 4.530 4.740 0.267 0.000 0.188 268 N C 2.062 177.669 175.510 0.161 0.000 1.024 268 N CA 3.426 56.599 53.050 0.206 0.000 0.852 268 N CB -0.691 37.918 38.487 0.203 0.000 1.003 268 N HN -0.021 8.452 8.380 0.156 0.000 0.424 269 N N 0.505 119.283 118.700 0.130 0.000 2.188 269 N HA -0.316 4.474 4.740 0.083 0.000 0.184 269 N C 1.395 176.957 175.510 0.087 0.000 1.018 269 N CA 3.253 56.359 53.050 0.093 0.000 0.858 269 N CB 0.198 38.729 38.487 0.073 0.000 0.989 269 N HN -0.176 8.285 8.380 0.136 0.000 0.426 270 K N 0.391 120.849 120.400 0.097 0.000 2.057 270 K HA -0.314 4.049 4.320 0.073 0.000 0.207 270 K C 2.264 178.929 176.600 0.108 0.000 1.049 270 K CA 3.150 59.491 56.287 0.089 0.000 0.931 270 K CB -0.110 32.443 32.500 0.088 0.000 0.714 270 K HN -0.463 7.766 8.250 0.103 0.083 0.440 271 L N -0.438 120.874 121.223 0.148 0.000 2.027 271 L HA -0.257 4.190 4.340 0.180 0.000 0.206 271 L C 1.227 178.204 176.870 0.179 0.000 1.074 271 L CA 3.094 58.051 54.840 0.194 0.000 0.745 271 L CB -0.416 41.809 42.059 0.276 0.000 0.898 271 L HN -0.412 7.913 8.230 0.158 0.000 0.433 272 L N -1.344 119.972 121.223 0.155 0.000 2.013 272 L HA -0.476 3.919 4.340 0.093 0.000 0.212 272 L C 1.540 178.409 176.870 -0.002 0.000 1.073 272 L CA 3.564 58.450 54.840 0.076 0.000 0.753 272 L CB -0.473 41.613 42.059 0.046 0.000 0.890 272 L HN -0.405 7.921 8.230 0.159 0.000 0.432 273 Q N -2.478 117.332 119.800 0.017 0.000 2.119 273 Q HA -0.409 3.910 4.340 -0.034 0.000 0.201 273 Q C 2.427 178.436 176.000 0.015 0.000 0.972 273 Q CA 3.180 58.982 55.803 -0.001 0.000 0.847 273 Q CB -0.149 28.600 28.738 0.017 0.000 0.903 273 Q HN -0.213 8.081 8.270 0.040 0.000 0.433 274 A N 0.125 122.975 122.820 0.051 0.000 1.877 274 A HA -0.266 4.093 4.320 0.064 0.000 0.216 274 A C 2.136 179.763 177.584 0.071 0.000 1.186 274 A CA 3.081 55.160 52.037 0.069 0.000 0.620 274 A CB -0.795 18.262 19.000 0.095 0.000 0.822 274 A HN -0.443 7.746 8.150 0.066 0.000 0.443 275 V N -1.090 118.857 119.914 0.054 0.000 2.255 275 V HA -0.587 3.592 4.120 0.099 0.000 0.247 275 V C 2.574 178.635 176.094 -0.056 0.000 1.051 275 V CA 4.310 66.622 62.300 0.020 0.000 1.018 275 V CB -0.040 31.747 31.823 -0.060 0.000 0.641 275 V HN -0.358 7.871 8.190 0.065 0.000 0.445 276 L N -2.504 118.581 121.223 -0.231 0.000 2.201 276 L HA -0.305 3.540 4.340 -0.826 0.000 0.212 276 L C 2.162 179.107 176.870 0.126 0.000 1.105 276 L CA 2.382 57.023 54.840 -0.332 0.000 0.775 276 L CB -0.893 40.943 42.059 -0.371 0.000 0.913 276 L HN -0.521 7.588 8.230 -0.201 0.000 0.440 277 A N -2.146 120.732 122.820 0.097 0.000 2.016 277 A HA -0.117 4.274 4.320 0.117 0.000 0.217 277 A C -0.194 177.482 177.584 0.153 0.000 1.162 277 A CA 1.590 53.697 52.037 0.117 0.000 0.662 277 A CB -0.120 18.922 19.000 0.070 0.000 0.812 277 A HN -0.354 7.802 8.150 0.053 0.025 0.450 278 K N -0.298 120.216 120.400 0.191 0.000 2.206 278 K HA 0.068 4.448 4.320 0.099 0.000 0.268 278 K C 0.566 177.259 176.600 0.155 0.000 1.111 278 K CA -1.356 55.022 56.287 0.152 0.000 0.955 278 K CB -0.415 32.166 32.500 0.135 0.000 1.406 278 K HN -0.685 7.662 8.250 0.203 0.025 0.427 279 Q N 6.236 126.056 119.800 0.034 0.000 2.197 279 Q HA -0.364 3.838 4.340 -0.231 0.000 0.207 279 Q C 0.391 176.195 176.000 -0.327 0.000 0.984 279 Q CA 3.572 59.273 55.803 -0.171 0.000 0.869 279 Q CB 0.081 28.734 28.738 -0.141 0.000 0.906 279 Q HN 0.414 8.703 8.270 0.032 0.000 0.426 280 E N -2.931 117.178 120.200 -0.151 0.000 2.474 280 E HA -0.037 4.188 4.350 -0.208 0.000 0.194 280 E C -0.032 176.523 176.600 -0.075 0.000 1.041 280 E CA 0.616 56.931 56.400 -0.141 0.000 0.874 280 E CB -0.926 28.728 29.700 -0.077 0.000 0.914 280 E HN -0.071 8.215 8.360 -0.074 0.029 0.498 281 A N -0.832 121.998 122.820 0.016 0.000 2.167 281 A HA -0.001 4.368 4.320 0.082 0.000 0.214 281 A C -1.402 176.295 177.584 0.188 0.000 1.151 281 A CA 1.470 53.579 52.037 0.120 0.000 0.735 281 A CB 0.840 19.954 19.000 0.190 0.000 0.802 281 A HN 0.143 8.165 8.150 0.044 0.155 0.467 282 W N -6.821 114.423 121.300 -0.093 0.000 3.005 282 W HA 0.876 5.643 4.660 -0.115 -0.176 0.343 282 W C -2.749 173.669 176.519 -0.168 0.000 1.243 282 W CA -1.706 55.556 57.345 -0.139 0.000 1.186 282 W CB 2.529 31.871 29.460 -0.196 0.000 1.453 282 W HN -0.905 7.109 8.180 -0.187 0.054 0.575 283 E N -4.158 115.999 120.200 -0.072 0.000 2.392 283 E HA 0.275 4.152 4.350 -0.789 0.000 0.279 283 E C -2.543 174.052 176.600 -0.009 0.000 0.964 283 E CA -1.792 54.415 56.400 -0.322 0.000 0.777 283 E CB 3.040 32.608 29.700 -0.220 0.000 1.249 283 E HN -0.192 8.267 8.360 0.165 0.000 0.449 284 Y N 1.557 121.866 120.300 0.016 0.000 2.425 284 Y HA 0.667 5.506 4.550 0.110 -0.223 0.331 284 Y C 0.828 176.706 175.900 -0.036 0.000 1.157 284 Y CA 0.357 58.487 58.100 0.050 0.000 1.372 284 Y CB 0.681 39.141 38.460 0.001 0.000 1.253 284 Y HN 0.287 8.476 8.280 -0.152 0.000 0.536 285 V N -1.243 118.756 119.914 0.142 0.000 2.876 285 V HA 0.748 4.813 4.120 -0.091 0.000 0.312 285 V C -1.851 174.155 176.094 -0.147 0.000 1.085 285 V CA -2.347 59.902 62.300 -0.086 0.000 0.945 285 V CB 3.665 35.351 31.823 -0.228 0.000 1.017 285 V HN 0.581 8.901 8.190 0.217 0.000 0.428 286 T N -1.581 112.798 114.554 -0.293 0.000 2.926 286 T HA 0.480 4.786 4.350 -0.074 0.000 0.289 286 T C -0.553 173.814 174.700 -0.555 0.000 1.054 286 T CA -2.240 59.717 62.100 -0.238 0.000 1.015 286 T CB 2.503 71.343 68.868 -0.048 0.000 1.167 286 T HN -0.277 7.794 8.240 -0.281 0.000 0.526 287 F N 0.071 120.076 119.950 0.091 0.000 2.564 287 F HA 0.390 4.929 4.527 0.020 0.000 0.368 287 F C -0.193 175.636 175.800 0.048 0.000 1.127 287 F CA -1.132 56.891 58.000 0.039 0.000 1.170 287 F CB 0.076 39.078 39.000 0.003 0.000 1.397 287 F HN 0.480 8.893 8.300 0.187 0.000 0.493 288 Q N 3.387 123.272 119.800 0.140 0.000 2.084 288 Q HA -0.281 4.117 4.340 0.097 0.000 0.202 288 Q C -0.614 175.456 176.000 0.116 0.000 0.978 288 Q CA 2.475 58.339 55.803 0.102 0.000 0.844 288 Q CB 0.366 29.138 28.738 0.058 0.000 0.898 288 Q HN 0.229 8.552 8.270 0.088 0.000 0.426 289 D N -3.192 117.289 120.400 0.136 0.000 2.365 289 D HA 0.007 4.698 4.640 0.084 0.000 0.237 289 D C 0.505 176.878 176.300 0.122 0.000 1.190 289 D CA -0.664 53.403 54.000 0.112 0.000 0.867 289 D CB 0.400 41.258 40.800 0.096 0.000 1.050 289 D HN -0.392 8.067 8.370 0.149 0.000 0.491 290 D N 7.809 128.258 120.400 0.081 0.000 2.190 290 D HA -0.321 4.353 4.640 0.056 0.000 0.200 290 D C 1.481 177.761 176.300 -0.034 0.000 0.992 290 D CA 3.245 57.269 54.000 0.039 0.000 0.854 290 D CB -0.174 40.648 40.800 0.036 0.000 0.936 290 D HN 0.428 8.842 8.370 0.074 0.000 0.462 291 A N -2.219 120.592 122.820 -0.014 0.000 2.121 291 A HA -0.192 4.100 4.320 -0.048 0.000 0.218 291 A C 0.811 178.347 177.584 -0.081 0.000 1.154 291 A CA 1.880 53.894 52.037 -0.039 0.000 0.679 291 A CB -0.406 18.588 19.000 -0.009 0.000 0.795 291 A HN -0.528 7.865 8.150 0.013 -0.235 0.458 292 E N -3.739 116.415 120.200 -0.076 0.000 2.358 292 E HA -0.135 4.186 4.350 -0.049 0.000 0.195 292 E C 0.229 176.541 176.600 -0.481 0.000 1.010 292 E CA -0.045 56.302 56.400 -0.088 0.000 0.856 292 E CB 0.379 30.199 29.700 0.200 0.000 0.795 292 E HN -0.678 7.627 8.360 -0.022 0.042 0.504 293 L N 2.305 123.070 121.223 -0.764 0.000 2.559 293 L HA -0.034 2.987 4.340 -2.198 0.000 0.274 293 L C -2.217 174.325 176.870 -0.546 0.000 1.205 293 L CA -1.493 52.667 54.840 -1.133 0.000 0.907 293 L CB 0.260 41.927 42.059 -0.653 0.000 1.153 293 L HN -0.868 7.010 8.230 -0.515 0.043 0.490 294 P HA 0.062 4.379 4.420 -0.173 0.000 0.268 294 P C 0.562 177.794 177.300 -0.113 0.000 1.205 294 P CA -0.493 62.496 63.100 -0.184 0.000 0.771 294 P CB 0.706 32.364 31.700 -0.070 0.000 0.858 295 L N 4.743 125.913 121.223 -0.088 0.000 2.051 295 L HA -0.466 3.847 4.340 -0.044 0.000 0.214 295 L C 1.955 178.797 176.870 -0.047 0.000 1.076 295 L CA 3.270 58.079 54.840 -0.052 0.000 0.758 295 L CB -0.387 41.651 42.059 -0.035 0.000 0.890 295 L HN 0.470 8.647 8.230 -0.088 0.000 0.433 296 A N -2.497 120.255 122.820 -0.113 0.000 2.032 296 A HA -0.149 4.294 4.320 -0.067 -0.163 0.221 296 A C 1.371 178.841 177.584 -0.191 0.000 1.165 296 A CA 2.414 54.334 52.037 -0.195 0.000 0.645 296 A CB -0.607 18.170 19.000 -0.372 0.000 0.807 296 A HN 0.147 8.209 8.150 -0.121 0.016 0.453 297 F N -6.833 113.251 119.950 0.223 0.000 2.668 297 F HA 0.229 4.975 4.527 0.365 0.000 0.301 297 F C -0.603 175.298 175.800 0.167 0.000 1.106 297 F CA -1.172 56.989 58.000 0.268 0.000 1.289 297 F CB -0.240 38.966 39.000 0.343 0.000 1.006 297 F HN -0.548 7.740 8.300 0.038 0.035 0.535 298 K N 0.715 121.232 120.400 0.195 0.000 2.414 298 K HA -0.115 4.277 4.320 0.120 0.000 0.272 298 K C -0.045 176.638 176.600 0.139 0.000 0.993 298 K CA 0.085 56.447 56.287 0.125 0.000 0.964 298 K CB 0.709 33.242 32.500 0.055 0.000 0.925 298 K HN -0.806 7.521 8.250 0.129 0.000 0.487 299 A N 3.772 126.660 122.820 0.114 0.000 2.547 299 A HA -0.056 4.334 4.320 0.117 0.000 0.233 299 A C -1.219 176.408 177.584 0.072 0.000 1.067 299 A CA -0.869 51.226 52.037 0.098 0.000 0.763 299 A CB -1.184 17.862 19.000 0.077 0.000 1.007 299 A HN 0.153 8.363 8.150 0.101 0.000 0.506 300 P HA 0.000 4.442 4.420 0.036 0.000 0.216 300 P CA 0.000 63.126 63.100 0.043 0.000 0.800 300 P CB 0.000 31.725 31.700 0.041 0.000 0.726