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 2k2n_1_A DATA FIRST_RESID 31 DATA SEQUENCE LDQILRATVE EVRAFLGTDR VKVYRFDPEG HGTVVAEARG GERLPSLLGL DATA SEQUENCE TFPAGDIPEE ARRLFRLAQV RVIVDVEAQS RSISQPESWG LSARVPLGEP DATA SEQUENCE LQRPVDPCHV HYLKSMGVAS SLVVPLMHHQ ELWGLLVSHH AEPRPYSQEE DATA SEQUENCE LQVVQLLADQ VSIAIAQAEL SL 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 31 L HA 0.000 4.310 4.340 -0.051 0.000 0.249 31 L C 0.000 176.851 176.870 -0.032 0.000 1.165 31 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 31 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 32 D N 0.271 120.655 120.400 -0.027 0.000 2.092 32 D HA -0.360 4.272 4.640 -0.014 0.000 0.193 32 D C 1.945 178.240 176.300 -0.008 0.000 0.994 32 D CA 3.189 57.180 54.000 -0.015 0.000 0.828 32 D CB -1.319 39.473 40.800 -0.013 0.000 0.963 32 D HN 0.336 8.687 8.370 -0.031 0.000 0.450 33 Q N -0.494 119.301 119.800 -0.010 0.000 2.112 33 Q HA -0.312 4.028 4.340 -0.001 0.000 0.206 33 Q C 2.312 178.310 176.000 -0.004 0.000 0.987 33 Q CA 3.141 58.941 55.803 -0.005 0.000 0.858 33 Q CB -0.426 28.307 28.738 -0.007 0.000 0.905 33 Q HN 0.185 8.446 8.270 -0.014 0.000 0.420 34 I N -0.415 120.149 120.570 -0.010 0.000 2.142 34 I HA -0.444 3.722 4.170 -0.006 0.000 0.240 34 I C 2.134 178.250 176.117 -0.003 0.000 1.078 34 I CA 3.018 64.313 61.300 -0.009 0.000 1.343 34 I CB -0.366 37.624 38.000 -0.017 0.000 1.046 34 I HN -0.226 7.974 8.210 -0.015 0.000 0.405 35 L N -1.034 120.187 121.223 -0.003 0.000 2.012 35 L HA -0.427 3.918 4.340 0.008 0.000 0.210 35 L C 2.399 179.278 176.870 0.015 0.000 1.073 35 L CA 3.207 58.051 54.840 0.006 0.000 0.748 35 L CB -0.770 41.292 42.059 0.005 0.000 0.891 35 L HN 0.164 8.389 8.230 -0.009 0.000 0.431 36 R N -0.944 119.564 120.500 0.014 0.000 2.117 36 R HA -0.469 3.887 4.340 0.027 0.000 0.243 36 R C 2.120 178.432 176.300 0.020 0.000 1.143 36 R CA 3.571 59.683 56.100 0.020 0.000 0.968 36 R CB -0.159 30.151 30.300 0.017 0.000 0.863 36 R HN 0.426 8.701 8.270 0.008 0.000 0.444 37 A N -3.614 119.215 122.820 0.014 0.000 2.014 37 A HA -0.076 4.254 4.320 0.017 0.000 0.218 37 A C 1.604 179.199 177.584 0.017 0.000 1.163 37 A CA 2.765 54.810 52.037 0.014 0.000 0.652 37 A CB -0.759 18.246 19.000 0.008 0.000 0.808 37 A HN -0.249 7.811 8.150 0.010 0.095 0.449 38 T N 1.846 116.410 114.554 0.016 0.000 2.812 38 T HA -0.273 4.085 4.350 0.013 0.000 0.264 38 T C 1.555 176.272 174.700 0.028 0.000 1.042 38 T CA 4.370 66.481 62.100 0.018 0.000 1.140 38 T CB -0.222 68.655 68.868 0.015 0.000 0.870 38 T HN -0.685 7.401 8.240 0.014 0.162 0.445 39 V N 1.879 121.813 119.914 0.033 0.000 2.427 39 V HA -0.301 3.846 4.120 0.045 0.000 0.248 39 V C 1.302 177.424 176.094 0.046 0.000 1.051 39 V CA 3.227 65.553 62.300 0.043 0.000 1.048 39 V CB -0.449 31.403 31.823 0.048 0.000 0.666 39 V HN 0.246 8.454 8.190 0.030 0.000 0.456 40 E N 0.265 120.489 120.200 0.040 0.000 2.047 40 E HA -0.416 3.959 4.350 0.042 0.000 0.191 40 E C 2.006 178.633 176.600 0.046 0.000 0.987 40 E CA 3.572 59.996 56.400 0.040 0.000 0.799 40 E CB -0.071 29.648 29.700 0.033 0.000 0.752 40 E HN -0.609 7.772 8.360 0.035 0.000 0.449 41 E N -0.505 119.721 120.200 0.043 0.000 2.028 41 E HA -0.241 4.142 4.350 0.054 0.000 0.191 41 E C 2.664 179.308 176.600 0.074 0.000 0.988 41 E CA 2.792 59.222 56.400 0.050 0.000 0.799 41 E CB -0.074 29.646 29.700 0.033 0.000 0.755 41 E HN -0.731 7.650 8.360 0.035 0.000 0.447 42 V N 0.055 120.006 119.914 0.062 0.000 2.332 42 V HA -0.453 3.716 4.120 0.081 0.000 0.248 42 V C 1.985 178.156 176.094 0.128 0.000 1.055 42 V CA 3.905 66.255 62.300 0.083 0.000 1.038 42 V CB -0.396 31.458 31.823 0.051 0.000 0.651 42 V HN -0.161 8.056 8.190 0.045 0.000 0.450 43 R N 0.113 120.667 120.500 0.090 0.000 2.091 43 R HA -0.408 3.977 4.340 0.075 0.000 0.238 43 R C 1.956 178.304 176.300 0.080 0.000 1.136 43 R CA 3.243 59.389 56.100 0.077 0.000 0.959 43 R CB -0.546 29.787 30.300 0.056 0.000 0.856 43 R HN -0.365 7.948 8.270 0.072 0.000 0.437 44 A N -2.432 120.440 122.820 0.087 0.000 1.986 44 A HA -0.244 4.100 4.320 0.040 0.000 0.220 44 A C 1.582 179.221 177.584 0.092 0.000 1.171 44 A CA 2.623 54.705 52.037 0.075 0.000 0.640 44 A CB -0.874 18.174 19.000 0.080 0.000 0.811 44 A HN -0.434 7.762 8.150 0.085 0.005 0.451 45 F N -2.342 117.612 119.950 0.006 0.000 2.234 45 F HA -0.240 4.292 4.527 0.009 0.000 0.296 45 F C 0.650 176.453 175.800 0.006 0.000 1.089 45 F CA 2.338 60.343 58.000 0.008 0.000 1.343 45 F CB 0.982 39.988 39.000 0.011 0.000 1.040 45 F HN -0.757 7.581 8.300 0.278 0.128 0.498 46 L N -4.708 116.592 121.223 0.128 0.000 2.307 46 L HA -0.064 4.278 4.340 0.003 0.000 0.211 46 L C 0.775 177.612 176.870 -0.055 0.000 1.099 46 L CA 0.588 55.450 54.840 0.036 0.000 0.816 46 L CB 0.689 42.803 42.059 0.091 0.000 0.952 46 L HN -0.571 7.696 8.230 0.203 0.085 0.455 47 G N -1.771 107.005 108.800 -0.041 0.000 2.233 47 G HA2 -0.405 3.548 3.960 -0.036 0.000 0.270 47 G HA3 -0.405 3.508 3.960 -0.080 0.000 0.270 47 G C 0.154 174.995 174.900 -0.098 0.000 1.011 47 G CA 1.001 46.064 45.100 -0.062 0.000 0.762 47 G HN 0.540 8.708 8.290 0.002 0.123 0.511 48 T N -2.675 111.821 114.554 -0.098 0.000 2.919 48 T HA -0.091 4.054 4.350 -0.342 0.000 0.302 48 T C 0.709 175.359 174.700 -0.085 0.000 1.031 48 T CA -0.694 61.306 62.100 -0.167 0.000 1.127 48 T CB 0.668 69.474 68.868 -0.104 0.000 0.952 48 T HN -0.775 7.381 8.240 -0.049 0.054 0.540 49 D N 3.601 123.941 120.400 -0.100 0.000 2.157 49 D HA -0.377 4.251 4.640 -0.020 0.000 0.191 49 D C -0.313 176.013 176.300 0.044 0.000 1.004 49 D CA 3.864 57.857 54.000 -0.011 0.000 0.854 49 D CB 0.254 41.067 40.800 0.022 0.000 0.936 49 D HN 0.421 8.664 8.370 -0.212 0.000 0.446 50 R N -3.911 116.659 120.500 0.116 0.000 2.535 50 R HA 0.606 5.224 4.340 0.117 -0.208 0.274 50 R C -2.658 173.802 176.300 0.267 0.000 1.090 50 R CA -0.544 55.671 56.100 0.191 0.000 0.930 50 R CB 3.564 33.976 30.300 0.187 0.000 1.223 50 R HN -0.851 7.494 8.270 0.128 0.001 0.441 51 V N 6.396 126.406 119.914 0.161 0.000 2.623 51 V HA 0.812 5.170 4.120 0.069 -0.197 0.304 51 V C -2.034 174.125 176.094 0.109 0.000 1.054 51 V CA -1.499 60.862 62.300 0.102 0.000 0.882 51 V CB 3.559 35.415 31.823 0.055 0.000 1.002 51 V HN 0.083 8.350 8.190 0.128 0.000 0.424 52 K N 5.136 125.600 120.400 0.107 0.000 2.512 52 K HA 0.752 5.240 4.320 0.092 -0.112 0.263 52 K C -2.319 174.333 176.600 0.085 0.000 0.966 52 K CA -2.093 54.257 56.287 0.105 0.000 0.851 52 K CB 4.301 36.883 32.500 0.137 0.000 1.395 52 K HN 0.130 8.431 8.250 0.086 0.000 0.440 53 V N 0.001 119.967 119.914 0.086 0.000 2.532 53 V HA 0.208 4.490 4.120 0.085 -0.110 0.295 53 V C -1.628 174.544 176.094 0.131 0.000 1.041 53 V CA -1.008 61.345 62.300 0.087 0.000 0.926 53 V CB 1.688 33.546 31.823 0.059 0.000 0.992 53 V HN 0.531 8.656 8.190 0.084 0.115 0.457 54 Y N 8.067 128.346 120.300 -0.036 0.000 2.332 54 Y HA 0.313 4.819 4.550 -0.073 0.000 0.326 54 Y C -2.002 173.896 175.900 -0.004 0.000 0.978 54 Y CA -1.911 56.149 58.100 -0.066 0.000 1.205 54 Y CB 2.727 41.094 38.460 -0.154 0.000 1.131 54 Y HN 0.890 9.160 8.280 0.161 0.106 0.462 55 R N 8.118 128.351 120.500 -0.444 0.000 2.340 55 R HA 0.080 4.502 4.340 -0.079 -0.130 0.300 55 R C -1.876 174.170 176.300 -0.423 0.000 1.069 55 R CA -0.369 55.564 56.100 -0.278 0.000 0.984 55 R CB 1.263 31.460 30.300 -0.172 0.000 1.003 55 R HN -0.058 7.936 8.270 -0.460 0.000 0.459 56 F N 5.089 124.887 119.950 -0.253 0.000 2.410 56 F HA 0.025 4.390 4.527 -0.270 0.000 0.349 56 F C -1.834 173.914 175.800 -0.086 0.000 1.117 56 F CA -0.306 57.583 58.000 -0.185 0.000 1.104 56 F CB 1.960 40.900 39.000 -0.100 0.000 1.122 56 F HN 0.398 8.656 8.300 0.133 0.122 0.483 57 D N 8.282 128.178 120.400 -0.840 0.000 2.177 57 D HA 0.285 4.784 4.640 -0.235 0.000 0.247 57 D C -0.973 174.911 176.300 -0.694 0.000 1.063 57 D CA -2.823 50.865 54.000 -0.519 0.000 0.867 57 D CB 0.561 41.172 40.800 -0.315 0.000 1.168 57 D HN 0.048 7.792 8.370 -1.043 0.000 0.445 58 P HA -0.258 4.279 4.420 0.195 0.000 0.218 58 P C 0.256 177.518 177.300 -0.063 0.000 1.147 58 P CA 2.368 65.462 63.100 -0.010 0.000 0.827 58 P CB 0.151 31.875 31.700 0.040 0.000 0.778 59 E N -4.396 115.723 120.200 -0.136 0.000 2.371 59 E HA -0.132 4.221 4.350 0.005 0.000 0.194 59 E C 0.706 177.227 176.600 -0.132 0.000 1.012 59 E CA -0.391 55.983 56.400 -0.044 0.000 0.860 59 E CB 0.207 29.946 29.700 0.065 0.000 0.811 59 E HN 0.024 8.244 8.360 -0.165 0.041 0.502 60 G N -1.895 106.627 108.800 -0.462 0.000 2.218 60 G HA2 -0.230 3.133 3.960 -1.016 0.000 0.216 60 G HA3 -0.230 3.583 3.960 -0.246 0.000 0.216 60 G C -0.744 173.881 174.900 -0.457 0.000 0.994 60 G CA -0.110 44.666 45.100 -0.541 0.000 0.637 60 G HN 0.079 7.776 8.290 -0.663 0.196 0.505 61 H N 2.399 121.315 119.070 -0.256 0.000 3.118 61 H HA 0.063 4.615 4.556 -0.007 0.000 0.266 61 H C -0.100 175.123 175.328 -0.175 0.000 1.465 61 H CA 0.025 56.003 56.048 -0.116 0.000 1.460 61 H CB -1.040 28.675 29.762 -0.078 0.000 1.661 61 H HN 0.019 8.160 8.280 -0.116 0.070 0.516 62 G N 2.934 111.691 108.800 -0.072 0.000 2.425 62 G HA2 0.219 4.139 3.960 -0.427 0.000 0.302 62 G HA3 0.219 3.691 3.960 -0.918 -0.063 0.302 62 G C -1.620 173.177 174.900 -0.172 0.000 1.159 62 G CA -0.633 44.225 45.100 -0.403 0.000 0.865 62 G HN -0.311 8.030 8.290 0.086 0.000 0.515 63 T N -1.219 113.162 114.554 -0.287 0.000 2.887 63 T HA 0.404 4.865 4.350 0.185 0.000 0.288 63 T C -0.476 174.225 174.700 0.001 0.000 1.021 63 T CA -2.299 59.798 62.100 -0.005 0.000 1.000 63 T CB 3.135 72.001 68.868 -0.003 0.000 1.034 63 T HN -0.440 7.535 8.240 -0.442 0.000 0.467 64 V N 5.301 125.317 119.914 0.171 0.000 2.397 64 V HA -0.079 4.145 4.120 0.174 0.000 0.262 64 V C 0.090 176.235 176.094 0.084 0.000 1.047 64 V CA 1.129 63.527 62.300 0.163 0.000 1.003 64 V CB -0.801 31.154 31.823 0.220 0.000 1.037 64 V HN -0.145 8.188 8.190 0.238 0.000 0.480 65 V N 9.050 128.991 119.914 0.046 0.000 3.578 65 V HA 0.076 4.213 4.120 0.027 0.000 0.290 65 V C -1.536 174.579 176.094 0.035 0.000 1.376 65 V CA -1.624 60.691 62.300 0.025 0.000 1.083 65 V CB 0.009 31.828 31.823 -0.006 0.000 0.911 65 V HN 0.087 8.301 8.190 0.040 0.000 0.433 66 A N -2.890 119.963 122.820 0.054 0.000 2.480 66 A HA 0.285 4.632 4.320 0.046 0.000 0.289 66 A C -3.133 174.494 177.584 0.072 0.000 1.044 66 A CA 0.077 52.147 52.037 0.054 0.000 0.761 66 A CB 2.018 21.045 19.000 0.045 0.000 1.289 66 A HN -0.693 7.442 8.150 0.070 0.057 0.401 67 E N 4.211 124.453 120.200 0.069 0.000 2.304 67 E HA 0.421 4.957 4.350 0.092 -0.131 0.277 67 E C -2.017 174.623 176.600 0.067 0.000 0.898 67 E CA -0.889 55.559 56.400 0.080 0.000 0.764 67 E CB 3.930 33.684 29.700 0.090 0.000 1.216 67 E HN 0.240 8.635 8.360 0.058 0.000 0.419 68 A N 5.648 128.510 122.820 0.071 0.000 2.386 68 A HA 0.527 4.876 4.320 0.049 0.000 0.311 68 A C -2.258 175.361 177.584 0.059 0.000 1.068 68 A CA -1.138 50.933 52.037 0.058 0.000 0.743 68 A CB 3.343 22.375 19.000 0.055 0.000 1.258 68 A HN 0.752 8.954 8.150 0.086 0.000 0.429 69 R N 1.134 121.660 120.500 0.043 0.000 2.698 69 R HA 0.739 5.301 4.340 0.041 -0.197 0.275 69 R C 0.539 176.852 176.300 0.022 0.000 1.001 69 R CA -1.573 54.548 56.100 0.035 0.000 0.896 69 R CB 2.237 32.555 30.300 0.030 0.000 1.218 69 R HN -0.066 8.226 8.270 0.038 0.000 0.462 70 G N 0.189 108.997 108.800 0.015 0.000 2.442 70 G HA2 -0.226 3.737 3.960 0.005 0.000 0.219 70 G HA3 -0.226 3.734 3.960 0.001 0.000 0.219 70 G C -0.995 173.909 174.900 0.008 0.000 1.141 70 G CA 1.535 46.639 45.100 0.007 0.000 0.763 70 G HN 0.121 8.420 8.290 0.015 0.000 0.554 71 G N -2.337 106.469 108.800 0.009 0.000 2.428 71 G HA2 0.022 3.987 3.960 0.010 0.000 0.305 71 G HA3 0.022 3.985 3.960 0.006 0.000 0.305 71 G C -1.574 173.331 174.900 0.007 0.000 1.260 71 G CA -0.356 44.749 45.100 0.008 0.000 0.853 71 G HN -0.797 7.482 8.290 0.010 0.017 0.480 72 E N -0.695 119.508 120.200 0.005 0.000 2.461 72 E HA -0.192 4.161 4.350 0.004 0.000 0.196 72 E C 1.008 177.608 176.600 -0.000 0.000 1.129 72 E CA 0.443 56.845 56.400 0.003 0.000 0.902 72 E CB -0.173 29.529 29.700 0.003 0.000 0.963 72 E HN 0.066 8.429 8.360 0.005 0.000 0.503 73 R N -0.333 120.167 120.500 0.000 0.000 2.066 73 R HA -0.154 4.185 4.340 -0.003 0.000 0.232 73 R C -0.422 175.873 176.300 -0.008 0.000 1.131 73 R CA 1.703 57.801 56.100 -0.002 0.000 0.955 73 R CB 0.411 30.711 30.300 0.001 0.000 0.851 73 R HN -0.024 8.096 8.270 0.003 0.152 0.432 74 L N 0.112 121.330 121.223 -0.008 0.000 2.325 74 L HA 0.418 4.742 4.340 -0.025 0.000 0.281 74 L C -2.085 174.777 176.870 -0.013 0.000 1.004 74 L CA -2.945 51.884 54.840 -0.019 0.000 0.823 74 L CB 0.261 42.304 42.059 -0.027 0.000 1.236 74 L HN -0.756 7.472 8.230 -0.003 0.000 0.415 75 P HA -0.124 4.294 4.420 -0.004 0.000 0.267 75 P C -1.638 175.664 177.300 0.005 0.000 1.195 75 P CA -0.077 63.018 63.100 -0.009 0.000 0.773 75 P CB 0.619 32.308 31.700 -0.019 0.000 0.837 76 S N 0.511 116.222 115.700 0.017 0.000 2.499 76 S HA -0.027 4.655 4.470 0.042 -0.187 0.279 76 S C 0.173 174.806 174.600 0.055 0.000 1.219 76 S CA 0.029 58.252 58.200 0.038 0.000 1.062 76 S CB 0.569 63.792 63.200 0.037 0.000 0.978 76 S HN 0.092 8.410 8.310 0.013 0.000 0.489 77 L N 3.823 125.101 121.223 0.092 0.000 2.653 77 L HA 0.131 4.537 4.340 0.111 0.000 0.231 77 L C -0.589 176.383 176.870 0.171 0.000 1.153 77 L CA -0.736 54.194 54.840 0.149 0.000 0.933 77 L CB 0.022 42.233 42.059 0.254 0.000 1.175 77 L HN 0.882 9.805 8.230 0.093 -0.637 0.473 78 L N 0.463 121.756 121.223 0.118 0.000 2.410 78 L HA -0.218 4.197 4.340 0.126 0.000 0.273 78 L C 0.542 177.469 176.870 0.095 0.000 1.152 78 L CA 1.290 56.193 54.840 0.106 0.000 0.855 78 L CB 0.248 42.352 42.059 0.074 0.000 1.129 78 L HN -0.289 7.965 8.230 0.093 0.032 0.463 79 G N 5.090 113.951 108.800 0.101 0.000 2.199 79 G HA2 -0.426 3.576 3.960 0.071 0.000 0.254 79 G HA3 -0.426 3.571 3.960 0.062 0.000 0.254 79 G C -0.823 174.137 174.900 0.100 0.000 0.982 79 G CA -0.054 45.094 45.100 0.081 0.000 0.632 79 G HN 0.104 8.462 8.290 0.113 0.000 0.529 80 L N -0.020 121.287 121.223 0.140 0.000 2.399 80 L HA 0.114 4.512 4.340 0.097 0.000 0.266 80 L C -0.375 176.640 176.870 0.242 0.000 1.114 80 L CA -0.112 54.816 54.840 0.146 0.000 0.804 80 L CB 0.665 42.795 42.059 0.117 0.000 1.146 80 L HN -0.709 7.519 8.230 0.158 0.097 0.451 81 T N 1.234 115.908 114.554 0.200 0.000 2.794 81 T HA 0.197 4.775 4.350 0.379 0.000 0.280 81 T C -0.557 174.328 174.700 0.307 0.000 0.987 81 T CA -1.469 60.805 62.100 0.290 0.000 0.993 81 T CB 0.735 69.723 68.868 0.199 0.000 0.939 81 T HN -0.106 8.205 8.240 0.120 0.000 0.449 82 F N 8.924 128.993 119.950 0.199 0.000 2.371 82 F HA 0.281 4.867 4.527 0.098 0.000 0.329 82 F C -1.229 174.625 175.800 0.090 0.000 1.107 82 F CA -2.280 55.798 58.000 0.131 0.000 1.137 82 F CB 0.309 39.358 39.000 0.081 0.000 1.214 82 F HN -0.367 8.402 8.300 0.782 0.000 0.536 83 P HA -0.020 4.432 4.420 0.054 0.000 0.267 83 P C -1.543 175.742 177.300 -0.025 0.000 1.205 83 P CA -0.311 62.814 63.100 0.042 0.000 0.765 83 P CB 0.144 31.846 31.700 0.004 0.000 0.828 84 A N 2.713 125.400 122.820 -0.221 0.000 2.488 84 A HA -0.193 4.105 4.320 -0.292 -0.153 0.249 84 A C 0.941 178.451 177.584 -0.124 0.000 1.083 84 A CA 0.913 52.746 52.037 -0.339 0.000 0.768 84 A CB -0.084 18.481 19.000 -0.725 0.000 1.017 84 A HN 0.178 8.189 8.150 -0.231 0.000 0.496 85 G N 3.541 112.311 108.800 -0.050 0.000 2.179 85 G HA2 -0.273 3.690 3.960 0.005 0.000 0.220 85 G HA3 -0.273 3.669 3.960 -0.030 0.000 0.220 85 G C 0.286 175.177 174.900 -0.017 0.000 0.990 85 G CA -0.193 44.897 45.100 -0.017 0.000 0.646 85 G HN 0.149 8.425 8.290 -0.023 0.000 0.517 86 D N 0.632 121.030 120.400 -0.003 0.000 2.190 86 D HA -0.214 4.394 4.640 -0.052 0.000 0.200 86 D C -0.017 176.250 176.300 -0.055 0.000 0.992 86 D CA 1.965 55.952 54.000 -0.023 0.000 0.854 86 D CB 0.218 41.033 40.800 0.025 0.000 0.936 86 D HN -0.358 7.961 8.370 0.014 0.059 0.462 87 I N 0.412 120.960 120.570 -0.037 0.000 2.301 87 I HA 0.240 4.322 4.170 -0.146 0.000 0.292 87 I C -1.609 174.458 176.117 -0.082 0.000 1.046 87 I CA -2.747 58.494 61.300 -0.098 0.000 1.282 87 I CB -0.276 37.648 38.000 -0.126 0.000 1.409 87 I HN -0.462 7.743 8.210 0.024 0.020 0.484 88 P HA -0.065 4.318 4.420 -0.062 0.000 0.304 88 P C -0.743 176.501 177.300 -0.093 0.000 1.332 88 P CA 0.241 63.295 63.100 -0.077 0.000 0.807 88 P CB 0.696 32.353 31.700 -0.073 0.000 1.545 89 E N -2.287 117.849 120.200 -0.106 0.000 2.192 89 E HA -0.059 4.203 4.350 -0.147 0.000 0.196 89 E C 1.882 178.347 176.600 -0.225 0.000 0.922 89 E CA 2.124 58.434 56.400 -0.150 0.000 0.924 89 E CB 0.256 29.875 29.700 -0.136 0.000 0.911 89 E HN 0.080 8.385 8.360 -0.092 0.000 0.478 90 E N 0.041 120.106 120.200 -0.224 0.000 2.085 90 E HA -0.331 3.661 4.350 -0.596 0.000 0.194 90 E C 1.365 177.822 176.600 -0.239 0.000 0.994 90 E CA 3.158 59.362 56.400 -0.325 0.000 0.801 90 E CB -0.309 29.298 29.700 -0.154 0.000 0.743 90 E HN 0.312 8.577 8.360 -0.158 0.000 0.453 91 A N -1.114 121.647 122.820 -0.099 0.000 1.855 91 A HA -0.187 4.137 4.320 0.007 0.000 0.215 91 A C 1.800 179.461 177.584 0.128 0.000 1.191 91 A CA 2.734 54.781 52.037 0.018 0.000 0.613 91 A CB -0.889 18.146 19.000 0.058 0.000 0.829 91 A HN 0.120 8.204 8.150 -0.093 0.009 0.442 92 R N -1.783 118.730 120.500 0.023 0.000 2.117 92 R HA -0.334 4.038 4.340 0.053 0.000 0.243 92 R C 2.598 178.884 176.300 -0.023 0.000 1.143 92 R CA 3.174 59.262 56.100 -0.019 0.000 0.968 92 R CB -0.386 29.795 30.300 -0.198 0.000 0.863 92 R HN 0.100 8.335 8.270 -0.059 0.000 0.444 93 R N -2.503 117.912 120.500 -0.142 0.000 2.115 93 R HA -0.274 3.974 4.340 -0.154 0.000 0.230 93 R C 2.607 178.872 176.300 -0.059 0.000 1.111 93 R CA 2.937 58.926 56.100 -0.184 0.000 0.976 93 R CB -0.305 29.727 30.300 -0.447 0.000 0.870 93 R HN -0.510 7.623 8.270 -0.201 0.016 0.445 94 L N -0.528 120.677 121.223 -0.030 0.000 2.093 94 L HA -0.303 4.084 4.340 0.077 0.000 0.208 94 L C 1.911 178.729 176.870 -0.085 0.000 1.085 94 L CA 2.969 57.802 54.840 -0.012 0.000 0.755 94 L CB -0.147 41.873 42.059 -0.065 0.000 0.904 94 L HN -0.303 7.764 8.230 -0.058 0.128 0.435 95 F N -2.148 117.750 119.950 -0.088 0.000 2.202 95 F HA -0.408 4.074 4.527 -0.075 0.000 0.301 95 F C 1.907 177.650 175.800 -0.094 0.000 1.082 95 F CA 4.381 62.322 58.000 -0.097 0.000 1.313 95 F CB -0.318 38.598 39.000 -0.140 0.000 1.024 95 F HN -0.509 7.842 8.300 0.233 0.089 0.495 96 R N -2.982 117.557 120.500 0.065 0.000 2.200 96 R HA -0.239 4.093 4.340 -0.012 0.000 0.208 96 R C 0.762 177.075 176.300 0.022 0.000 1.033 96 R CA 2.076 58.178 56.100 0.003 0.000 1.000 96 R CB -0.025 30.249 30.300 -0.043 0.000 0.906 96 R HN -0.677 7.492 8.270 0.063 0.139 0.462 97 L N -2.620 118.622 121.223 0.031 0.000 2.269 97 L HA 0.026 4.397 4.340 0.052 0.000 0.200 97 L C 1.346 178.230 176.870 0.023 0.000 1.069 97 L CA 2.115 56.984 54.840 0.047 0.000 0.804 97 L CB 0.756 42.873 42.059 0.097 0.000 0.987 97 L HN -0.713 7.363 8.230 0.025 0.169 0.468 98 A N -4.437 118.371 122.820 -0.019 0.000 2.324 98 A HA 0.088 4.399 4.320 -0.015 0.000 0.220 98 A C -0.623 176.916 177.584 -0.075 0.000 1.209 98 A CA 0.117 52.128 52.037 -0.044 0.000 0.918 98 A CB 1.366 20.325 19.000 -0.067 0.000 0.959 98 A HN 0.348 8.358 8.150 -0.040 0.116 0.507 99 Q N -3.201 116.537 119.800 -0.103 0.000 2.447 99 Q HA -0.373 3.909 4.340 -0.097 0.000 0.348 99 Q C -1.451 174.462 176.000 -0.144 0.000 1.421 99 Q CA 0.981 56.725 55.803 -0.097 0.000 0.978 99 Q CB -3.010 25.716 28.738 -0.020 0.000 1.191 99 Q HN -0.298 7.910 8.270 -0.102 0.000 0.371 100 V N -8.282 111.465 119.914 -0.278 0.000 2.770 100 V HA 0.217 4.224 4.120 -0.188 0.000 0.280 100 V C -2.239 173.637 176.094 -0.364 0.000 1.189 100 V CA -1.113 61.038 62.300 -0.247 0.000 0.932 100 V CB 1.731 33.455 31.823 -0.165 0.000 1.065 100 V HN -0.408 7.527 8.190 -0.424 0.000 0.462 101 R N 5.305 125.600 120.500 -0.341 0.000 2.707 101 R HA 0.614 4.776 4.340 -0.296 0.000 0.272 101 R C -2.518 173.676 176.300 -0.177 0.000 1.011 101 R CA -1.624 54.288 56.100 -0.313 0.000 0.893 101 R CB 4.151 34.165 30.300 -0.476 0.000 1.233 101 R HN -0.407 7.715 8.270 -0.247 0.000 0.464 102 V N 0.703 120.524 119.914 -0.156 0.000 3.108 102 V HA 0.381 4.554 4.120 -0.072 -0.096 0.287 102 V C -2.319 173.731 176.094 -0.073 0.000 1.436 102 V CA -0.602 61.615 62.300 -0.138 0.000 1.001 102 V CB 3.111 34.742 31.823 -0.320 0.000 1.141 102 V HN 0.134 8.234 8.190 -0.150 0.000 0.443 103 I N 6.625 127.195 120.570 0.001 0.000 2.412 103 I HA 0.242 4.436 4.170 0.039 0.000 0.296 103 I C -1.842 174.316 176.117 0.068 0.000 0.987 103 I CA -1.314 60.017 61.300 0.053 0.000 1.180 103 I CB 2.301 40.372 38.000 0.119 0.000 1.340 103 I HN 0.854 8.957 8.210 0.012 0.114 0.455 104 V N 4.877 124.836 119.914 0.075 0.000 2.997 104 V HA -0.003 4.200 4.120 0.138 0.000 0.311 104 V C -0.982 175.156 176.094 0.073 0.000 1.066 104 V CA -1.648 60.712 62.300 0.100 0.000 1.039 104 V CB 2.021 33.907 31.823 0.105 0.000 1.081 104 V HN 0.175 8.402 8.190 0.063 0.000 0.467 105 D N 2.410 122.850 120.400 0.066 0.000 2.581 105 D HA -0.297 4.505 4.640 0.042 -0.136 0.238 105 D C 1.057 177.375 176.300 0.029 0.000 1.145 105 D CA 0.763 54.787 54.000 0.040 0.000 0.866 105 D CB -0.480 40.334 40.800 0.023 0.000 1.151 105 D HN 0.070 8.487 8.370 0.079 0.000 0.500 106 V N 2.979 122.907 119.914 0.023 0.000 2.688 106 V HA -0.514 3.604 4.120 -0.004 0.000 0.256 106 V C 1.229 177.330 176.094 0.012 0.000 1.084 106 V CA 2.991 65.295 62.300 0.007 0.000 1.103 106 V CB 0.458 32.282 31.823 0.001 0.000 0.688 106 V HN -0.289 7.918 8.190 0.029 0.000 0.480 107 E N 0.544 120.753 120.200 0.016 0.000 2.051 107 E HA -0.245 4.116 4.350 0.019 0.000 0.192 107 E C 0.791 177.401 176.600 0.016 0.000 0.991 107 E CA 2.381 58.791 56.400 0.016 0.000 0.799 107 E CB -0.451 29.255 29.700 0.010 0.000 0.748 107 E HN 0.090 8.412 8.360 0.016 0.049 0.449 108 A N -3.536 119.293 122.820 0.015 0.000 2.225 108 A HA -0.128 4.200 4.320 0.014 0.000 0.215 108 A C -1.093 176.502 177.584 0.018 0.000 1.164 108 A CA -0.063 51.984 52.037 0.016 0.000 0.710 108 A CB -0.086 18.925 19.000 0.019 0.000 0.780 108 A HN -0.572 7.744 8.150 0.016 -0.156 0.473 109 Q N -1.893 117.917 119.800 0.016 0.000 2.434 109 Q HA -0.403 4.007 4.340 0.001 -0.070 0.366 109 Q C -1.485 174.524 176.000 0.015 0.000 1.398 109 Q CA -0.129 55.682 55.803 0.013 0.000 1.074 109 Q CB -1.760 26.993 28.738 0.025 0.000 1.236 109 Q HN -0.492 7.628 8.270 0.015 0.160 0.329 110 S N 0.836 116.544 115.700 0.013 0.000 2.531 110 S HA -0.053 4.431 4.470 0.022 0.000 0.279 110 S C -0.556 174.052 174.600 0.015 0.000 1.305 110 S CA 0.885 59.096 58.200 0.019 0.000 1.058 110 S CB 0.689 63.905 63.200 0.026 0.000 0.899 110 S HN 0.021 8.338 8.310 0.010 0.000 0.493 111 R N 1.503 122.016 120.500 0.022 0.000 2.562 111 R HA 0.328 4.681 4.340 0.023 0.000 0.298 111 R C -1.652 174.665 176.300 0.029 0.000 0.961 111 R CA -1.072 55.044 56.100 0.027 0.000 0.881 111 R CB 2.628 32.948 30.300 0.034 0.000 1.159 111 R HN 0.019 8.303 8.270 0.024 0.000 0.450 112 S N 0.214 115.933 115.700 0.032 0.000 2.638 112 S HA 0.186 4.674 4.470 0.030 0.000 0.274 112 S C -1.612 173.010 174.600 0.037 0.000 1.157 112 S CA -1.230 56.989 58.200 0.032 0.000 0.826 112 S CB 2.390 65.608 63.200 0.030 0.000 1.139 112 S HN 0.259 8.591 8.310 0.035 0.000 0.474 113 I N -3.086 117.504 120.570 0.034 0.000 2.545 113 I HA 0.367 4.560 4.170 0.038 0.000 0.292 113 I C -1.219 174.916 176.117 0.031 0.000 1.040 113 I CA -1.206 60.115 61.300 0.034 0.000 1.068 113 I CB 3.160 41.179 38.000 0.031 0.000 1.251 113 I HN 0.105 8.334 8.210 0.031 0.000 0.424 114 S N 1.918 117.635 115.700 0.029 0.000 2.954 114 S HA 0.008 4.489 4.470 0.019 0.000 0.234 114 S C -0.582 174.031 174.600 0.021 0.000 0.978 114 S CA 1.175 59.388 58.200 0.021 0.000 1.045 114 S CB 0.081 63.292 63.200 0.018 0.000 0.807 114 S HN 0.141 8.471 8.310 0.032 0.000 0.508 115 Q N 1.059 120.875 119.800 0.026 0.000 2.644 115 Q HA 0.335 4.690 4.340 0.024 0.000 0.245 115 Q C -2.006 174.015 176.000 0.035 0.000 1.064 115 Q CA -2.658 53.161 55.803 0.027 0.000 0.860 115 Q CB 0.088 28.841 28.738 0.025 0.000 1.145 115 Q HN -0.368 7.755 8.270 0.028 0.164 0.515 116 P HA 0.164 4.619 4.420 0.059 0.000 0.278 116 P C -0.741 176.598 177.300 0.066 0.000 1.258 116 P CA -0.681 62.456 63.100 0.063 0.000 0.811 116 P CB 1.038 32.791 31.700 0.087 0.000 1.063 117 E N 0.621 120.863 120.200 0.070 0.000 2.109 117 E HA 0.015 4.397 4.350 0.053 0.000 0.278 117 E C -0.420 176.231 176.600 0.085 0.000 0.954 117 E CA -0.485 55.951 56.400 0.060 0.000 0.779 117 E CB 0.364 30.086 29.700 0.037 0.000 1.093 117 E HN 0.109 8.512 8.360 0.072 0.000 0.401 118 S N 3.295 119.050 115.700 0.092 0.000 2.687 118 S HA -0.327 4.218 4.470 0.124 0.000 0.632 118 S C -1.405 173.340 174.600 0.241 0.000 3.257 118 S CA 1.303 59.578 58.200 0.126 0.000 3.509 118 S CB 0.151 63.395 63.200 0.074 0.000 0.332 118 S HN 0.201 8.555 8.310 0.073 0.000 1.770 119 W N -0.066 121.229 121.300 -0.009 0.000 3.038 119 W HA 0.105 4.757 4.660 -0.013 0.000 0.347 119 W C -1.490 175.021 176.519 -0.013 0.000 1.219 119 W CA -0.626 56.712 57.345 -0.012 0.000 1.142 119 W CB 1.412 30.864 29.460 -0.012 0.000 1.484 119 W HN -0.131 8.176 8.180 0.210 0.000 0.586 120 G N 0.145 107.965 108.800 -1.634 0.000 2.562 120 G HA2 0.102 3.704 3.960 -0.598 0.000 0.275 120 G HA3 0.102 3.313 3.960 -1.248 0.000 0.275 120 G C -2.233 172.314 174.900 -0.588 0.000 1.196 120 G CA -0.630 43.828 45.100 -1.071 0.000 0.908 120 G HN 0.038 6.221 8.290 -3.510 0.000 0.524 121 L N -0.945 120.110 121.223 -0.280 0.000 2.448 121 L HA 0.090 4.425 4.340 -0.008 0.000 0.258 121 L C 0.350 177.199 176.870 -0.036 0.000 1.104 121 L CA -0.853 53.935 54.840 -0.086 0.000 0.800 121 L CB 1.400 43.420 42.059 -0.065 0.000 1.241 121 L HN -0.098 7.959 8.230 -0.287 0.000 0.472 122 S N 0.253 115.967 115.700 0.024 0.000 2.374 122 S HA -0.267 4.248 4.470 0.076 0.000 0.227 122 S C 1.174 175.775 174.600 0.002 0.000 1.037 122 S CA 2.645 60.868 58.200 0.037 0.000 1.024 122 S CB -0.009 63.211 63.200 0.034 0.000 0.861 122 S HN 0.128 8.456 8.310 0.030 0.000 0.456 123 A N 1.321 124.128 122.820 -0.021 0.000 1.930 123 A HA -0.133 4.173 4.320 -0.023 0.000 0.217 123 A C 0.213 177.764 177.584 -0.055 0.000 1.175 123 A CA 1.336 53.354 52.037 -0.033 0.000 0.627 123 A CB 0.054 19.033 19.000 -0.035 0.000 0.815 123 A HN -0.229 7.904 8.150 -0.020 0.005 0.443 124 R N -1.710 118.736 120.500 -0.090 0.000 2.441 124 R HA -0.024 4.249 4.340 -0.111 0.000 0.284 124 R C -1.662 174.547 176.300 -0.152 0.000 1.070 124 R CA -0.198 55.819 56.100 -0.137 0.000 1.047 124 R CB 0.656 30.836 30.300 -0.201 0.000 1.016 124 R HN -0.407 7.718 8.270 -0.091 0.090 0.477 125 V N 2.408 122.241 119.914 -0.136 0.000 2.380 125 V HA 0.380 4.453 4.120 -0.080 0.000 0.268 125 V C -1.941 174.075 176.094 -0.129 0.000 1.008 125 V CA -3.669 58.572 62.300 -0.098 0.000 0.823 125 V CB 1.742 33.543 31.823 -0.036 0.000 1.053 125 V HN 0.152 8.267 8.190 -0.124 0.000 0.446 126 P HA -0.044 4.258 4.420 -0.196 0.000 0.261 126 P C -1.806 175.455 177.300 -0.066 0.000 1.173 126 P CA 0.499 63.478 63.100 -0.203 0.000 0.760 126 P CB 0.599 32.070 31.700 -0.381 0.000 0.783 127 L N 3.606 124.793 121.223 -0.060 0.000 2.488 127 L HA 0.224 4.544 4.340 -0.034 0.000 0.250 127 L C 0.016 176.865 176.870 -0.036 0.000 1.280 127 L CA -0.590 54.225 54.840 -0.041 0.000 0.929 127 L CB 0.375 42.409 42.059 -0.042 0.000 1.200 127 L HN -0.076 8.109 8.230 -0.076 0.000 0.495 128 G N 1.259 110.044 108.800 -0.025 0.000 2.222 128 G HA2 -0.355 3.600 3.960 -0.007 0.000 0.234 128 G HA3 -0.355 3.589 3.960 -0.026 0.000 0.234 128 G C 0.525 175.415 174.900 -0.017 0.000 0.698 128 G CA 0.034 45.123 45.100 -0.019 0.000 1.094 128 G HN 0.168 8.450 8.290 -0.014 0.000 0.316 129 E N 1.856 122.046 120.200 -0.017 0.000 2.086 129 E HA -0.250 4.083 4.350 -0.028 0.000 0.200 129 E C -1.015 175.580 176.600 -0.009 0.000 1.012 129 E CA 1.849 58.237 56.400 -0.019 0.000 0.812 129 E CB -0.271 29.417 29.700 -0.020 0.000 0.743 129 E HN 0.307 8.658 8.360 -0.013 0.000 0.453 130 P HA 0.133 4.557 4.420 0.006 0.000 0.285 130 P C -0.519 176.791 177.300 0.016 0.000 1.269 130 P CA -0.961 62.144 63.100 0.008 0.000 0.844 130 P CB 1.456 33.163 31.700 0.011 0.000 1.094 131 L N -0.740 120.498 121.223 0.024 0.000 2.418 131 L HA -0.123 4.245 4.340 0.047 0.000 0.218 131 L C 1.614 178.521 176.870 0.062 0.000 1.125 131 L CA 1.673 56.539 54.840 0.044 0.000 0.835 131 L CB -0.136 41.948 42.059 0.042 0.000 0.953 131 L HN 0.188 8.430 8.230 0.020 0.000 0.454 132 Q N -2.447 117.379 119.800 0.045 0.000 2.392 132 Q HA -0.060 4.322 4.340 0.070 0.000 0.203 132 Q C -0.485 175.540 176.000 0.042 0.000 0.917 132 Q CA -0.666 55.167 55.803 0.050 0.000 0.939 132 Q CB -0.032 28.727 28.738 0.036 0.000 1.063 132 Q HN -0.025 8.218 8.270 0.032 0.046 0.516 133 R N -2.165 118.351 120.500 0.027 0.000 2.247 133 R HA -0.308 4.039 4.340 0.011 0.000 0.214 133 R C -2.271 174.040 176.300 0.018 0.000 0.709 133 R CA -0.514 55.594 56.100 0.013 0.000 0.482 133 R CB -2.047 28.248 30.300 -0.007 0.000 1.360 133 R HN -0.752 7.371 8.270 0.026 0.163 0.542 134 P HA -0.124 4.313 4.420 0.028 0.000 0.268 134 P C -0.969 176.345 177.300 0.024 0.000 1.205 134 P CA -0.378 62.737 63.100 0.025 0.000 0.771 134 P CB 0.533 32.248 31.700 0.025 0.000 0.858 135 V N 3.187 123.118 119.914 0.028 0.000 2.398 135 V HA -0.011 4.125 4.120 0.026 0.000 0.286 135 V C -0.352 175.765 176.094 0.039 0.000 1.026 135 V CA -1.780 60.542 62.300 0.035 0.000 0.868 135 V CB 1.139 32.997 31.823 0.059 0.000 0.982 135 V HN 0.663 8.871 8.190 0.029 0.000 0.443 136 D N 6.387 126.812 120.400 0.043 0.000 2.563 136 D HA -0.169 4.702 4.640 0.045 -0.205 0.229 136 D C 0.155 176.490 176.300 0.059 0.000 1.159 136 D CA 0.099 54.129 54.000 0.051 0.000 0.869 136 D CB 0.197 41.029 40.800 0.052 0.000 1.203 136 D HN -0.238 8.153 8.370 0.035 0.000 0.478 137 P HA -0.134 4.215 4.420 -0.117 0.000 0.218 137 P C 1.016 178.399 177.300 0.139 0.000 1.149 137 P CA 2.044 65.173 63.100 0.049 0.000 0.817 137 P CB -0.069 31.745 31.700 0.190 0.000 0.785 138 C N -3.335 116.062 119.300 0.162 0.000 2.385 138 C HA -0.304 4.278 4.460 0.204 0.000 0.275 138 C C 2.040 177.142 174.990 0.186 0.000 1.207 138 C CA 3.140 62.262 59.018 0.172 0.000 1.760 138 C CB -1.587 26.221 27.740 0.113 0.000 2.051 138 C HN -0.319 8.123 8.230 0.130 -0.134 0.467 139 H N 1.742 120.850 119.070 0.064 0.000 2.482 139 H HA -0.098 4.513 4.556 0.092 0.000 0.286 139 H C 1.826 177.222 175.328 0.115 0.000 1.017 139 H CA 3.454 59.551 56.048 0.081 0.000 1.322 139 H CB 0.733 30.513 29.762 0.030 0.000 1.426 139 H HN -0.676 8.019 8.280 0.221 -0.282 0.546 140 V N 0.470 120.406 119.914 0.037 0.000 2.261 140 V HA -0.563 3.546 4.120 -0.018 0.000 0.246 140 V C 1.797 177.799 176.094 -0.153 0.000 1.047 140 V CA 4.338 66.576 62.300 -0.104 0.000 1.015 140 V CB -0.436 31.240 31.823 -0.245 0.000 0.642 140 V HN -0.612 7.526 8.190 0.063 0.090 0.446 141 H N -1.452 117.652 119.070 0.057 0.000 2.456 141 H HA -0.264 4.300 4.556 0.014 0.000 0.296 141 H C 2.442 177.778 175.328 0.013 0.000 1.079 141 H CA 3.462 59.530 56.048 0.032 0.000 1.322 141 H CB -0.407 29.380 29.762 0.042 0.000 1.388 141 H HN -0.020 8.097 8.280 -0.273 0.000 0.538 142 Y N 1.386 121.678 120.300 -0.013 0.000 2.165 142 Y HA -0.335 4.194 4.550 -0.035 0.000 0.286 142 Y C 1.547 177.369 175.900 -0.130 0.000 1.155 142 Y CA 3.453 61.496 58.100 -0.095 0.000 1.164 142 Y CB -0.365 37.974 38.460 -0.200 0.000 0.978 142 Y HN -0.829 7.455 8.280 0.206 0.119 0.513 143 L N -3.184 117.976 121.223 -0.105 0.000 2.109 143 L HA -0.406 3.846 4.340 -0.148 0.000 0.207 143 L C 2.095 178.909 176.870 -0.093 0.000 1.086 143 L CA 2.445 57.220 54.840 -0.109 0.000 0.760 143 L CB -0.434 41.609 42.059 -0.028 0.000 0.910 143 L HN -0.474 7.614 8.230 -0.068 0.101 0.437 144 K N 0.513 120.885 120.400 -0.047 0.000 2.113 144 K HA -0.304 4.012 4.320 -0.007 0.000 0.208 144 K C 2.952 179.516 176.600 -0.059 0.000 1.047 144 K CA 2.340 58.617 56.287 -0.016 0.000 0.928 144 K CB -0.622 31.911 32.500 0.055 0.000 0.716 144 K HN -0.092 8.064 8.250 -0.030 0.076 0.446 145 S N 0.512 116.140 115.700 -0.119 0.000 2.442 145 S HA -0.204 4.199 4.470 -0.113 0.000 0.236 145 S C 1.139 175.619 174.600 -0.200 0.000 1.007 145 S CA 2.982 61.079 58.200 -0.173 0.000 0.965 145 S CB -0.393 62.640 63.200 -0.277 0.000 0.773 145 S HN -0.117 8.015 8.310 -0.123 0.104 0.504 146 M N -2.760 116.710 119.600 -0.216 0.000 2.495 146 M HA 0.168 4.530 4.480 -0.197 0.000 0.237 146 M C 0.464 176.696 176.300 -0.112 0.000 1.131 146 M CA -1.199 53.988 55.300 -0.189 0.000 1.032 146 M CB 0.208 32.682 32.600 -0.209 0.000 1.513 146 M HN -0.105 7.834 8.290 -0.215 0.221 0.488 147 G N -1.091 107.665 108.800 -0.074 0.000 2.160 147 G HA2 -0.377 3.570 3.960 -0.022 0.000 0.251 147 G HA3 -0.377 3.563 3.960 -0.033 0.000 0.251 147 G C -1.046 173.855 174.900 0.000 0.000 1.008 147 G CA 0.649 45.729 45.100 -0.032 0.000 0.724 147 G HN -0.100 7.926 8.290 -0.082 0.215 0.514 148 V N -1.123 118.795 119.914 0.007 0.000 2.581 148 V HA 0.121 4.294 4.120 0.089 0.000 0.303 148 V C -1.965 174.168 176.094 0.065 0.000 1.041 148 V CA -0.855 61.485 62.300 0.066 0.000 0.907 148 V CB 1.615 33.507 31.823 0.114 0.000 0.994 148 V HN -0.665 7.477 8.190 -0.022 0.035 0.442 149 A N 6.687 129.557 122.820 0.083 0.000 2.013 149 A HA 0.216 4.563 4.320 0.045 0.000 0.204 149 A C -0.810 176.820 177.584 0.076 0.000 1.262 149 A CA 0.797 52.871 52.037 0.061 0.000 0.800 149 A CB 1.537 20.563 19.000 0.043 0.000 0.909 149 A HN 0.183 8.398 8.150 0.107 0.000 0.472 150 S N -1.692 114.070 115.700 0.103 0.000 2.594 150 S HA 0.334 4.959 4.470 0.101 -0.095 0.296 150 S C -1.985 172.696 174.600 0.135 0.000 1.124 150 S CA -0.981 57.285 58.200 0.110 0.000 1.011 150 S CB 1.160 64.415 63.200 0.092 0.000 1.016 150 S HN -0.718 7.665 8.310 0.121 0.000 0.485 151 S N 7.674 123.444 115.700 0.116 0.000 2.482 151 S HA 0.768 5.450 4.470 0.054 -0.179 0.303 151 S C -2.049 172.570 174.600 0.032 0.000 1.091 151 S CA -1.080 57.167 58.200 0.078 0.000 1.057 151 S CB 2.761 66.037 63.200 0.128 0.000 1.031 151 S HN -0.059 8.318 8.310 0.111 0.000 0.485 152 L N 4.829 126.045 121.223 -0.011 0.000 2.346 152 L HA 0.373 4.690 4.340 -0.038 0.000 0.274 152 L C -2.501 174.356 176.870 -0.022 0.000 1.007 152 L CA -0.748 54.079 54.840 -0.021 0.000 0.818 152 L CB 3.591 45.652 42.059 0.004 0.000 1.284 152 L HN 0.072 8.272 8.230 -0.049 0.000 0.424 153 V N 4.880 124.793 119.914 -0.003 0.000 2.483 153 V HA 0.608 4.943 4.120 0.044 -0.189 0.297 153 V C -1.995 174.127 176.094 0.048 0.000 1.027 153 V CA -1.339 60.995 62.300 0.058 0.000 0.855 153 V CB 2.159 34.094 31.823 0.186 0.000 0.995 153 V HN 0.189 8.358 8.190 -0.036 0.000 0.424 154 V N 7.206 127.154 119.914 0.057 0.000 2.380 154 V HA 0.429 4.567 4.120 0.029 0.000 0.272 154 V C -2.951 173.185 176.094 0.071 0.000 1.011 154 V CA -4.160 58.167 62.300 0.045 0.000 0.826 154 V CB 2.323 34.161 31.823 0.026 0.000 1.040 154 V HN -0.275 7.949 8.190 0.056 0.000 0.441 155 P HA -0.062 4.431 4.420 0.120 0.000 0.267 155 P C -0.931 176.415 177.300 0.076 0.000 1.195 155 P CA 0.190 63.357 63.100 0.112 0.000 0.773 155 P CB 0.526 32.310 31.700 0.140 0.000 0.837 156 L N 2.185 123.460 121.223 0.087 0.000 2.784 156 L HA 0.360 4.746 4.340 0.076 0.000 0.241 156 L C -0.936 176.025 176.870 0.152 0.000 1.352 156 L CA -0.838 54.058 54.840 0.094 0.000 0.911 156 L CB -0.437 41.672 42.059 0.084 0.000 1.227 156 L HN 0.313 8.599 8.230 0.094 0.000 0.501 157 M N -3.069 116.620 119.600 0.148 0.000 3.502 157 M HA 0.271 5.019 4.480 0.446 0.000 0.310 157 M C -1.757 174.687 176.300 0.241 0.000 1.458 157 M CA -0.883 54.560 55.300 0.238 0.000 0.782 157 M CB 2.018 34.651 32.600 0.055 0.000 1.942 157 M HN -0.915 7.428 8.290 0.089 0.000 0.438 158 H N -1.719 117.312 119.070 -0.066 0.000 2.497 158 H HA 0.164 4.598 4.556 -0.203 0.000 0.331 158 H C 0.995 176.175 175.328 -0.247 0.000 1.457 158 H CA -0.797 55.164 56.048 -0.144 0.000 1.459 158 H CB 1.695 31.459 29.762 0.004 0.000 1.728 158 H HN -0.188 8.110 8.280 0.030 0.000 0.691 159 H N -1.418 117.689 119.070 0.062 0.000 2.284 159 H HA -0.088 4.469 4.556 0.002 0.000 0.304 159 H C 0.513 175.838 175.328 -0.006 0.000 1.069 159 H CA 3.635 59.687 56.048 0.007 0.000 1.327 159 H CB 0.581 30.333 29.762 -0.017 0.000 1.387 159 H HN 0.168 8.394 8.280 -0.090 0.000 0.498 160 Q N -3.893 115.986 119.800 0.130 0.000 2.247 160 Q HA 0.053 4.407 4.340 0.022 0.000 0.204 160 Q C -0.641 175.315 176.000 -0.074 0.000 0.872 160 Q CA -0.354 55.468 55.803 0.032 0.000 0.951 160 Q CB 0.928 29.694 28.738 0.046 0.000 1.099 160 Q HN -0.407 7.977 8.270 0.190 0.000 0.501 161 E N -1.433 118.676 120.200 -0.151 0.000 2.290 161 E HA 0.156 4.268 4.350 -0.396 0.000 0.274 161 E C -2.428 173.783 176.600 -0.649 0.000 0.889 161 E CA -0.582 55.549 56.400 -0.448 0.000 0.760 161 E CB 2.207 31.546 29.700 -0.601 0.000 1.206 161 E HN -0.451 7.806 8.360 -0.062 0.067 0.419 162 L N 3.872 124.699 121.223 -0.660 0.000 2.298 162 L HA 0.276 4.360 4.340 -0.426 0.000 0.284 162 L C -0.473 176.090 176.870 -0.512 0.000 1.013 162 L CA -0.483 54.050 54.840 -0.513 0.000 0.824 162 L CB 0.504 42.362 42.059 -0.335 0.000 1.221 162 L HN 0.228 8.111 8.230 -0.578 0.000 0.418 163 W N 1.044 122.331 121.300 -0.021 0.000 2.588 163 W HA 0.029 4.695 4.660 0.010 0.000 0.277 163 W C -0.280 176.243 176.519 0.007 0.000 1.221 163 W CA -0.081 57.256 57.345 -0.013 0.000 1.355 163 W CB 1.589 31.014 29.460 -0.059 0.000 1.083 163 W HN 0.191 8.217 8.180 -0.256 0.000 0.581 164 G N -5.998 102.916 108.800 0.190 0.000 2.606 164 G HA2 0.571 4.714 3.960 0.099 0.000 0.300 164 G HA3 0.571 4.578 3.960 0.101 0.014 0.300 164 G C -2.412 172.535 174.900 0.079 0.000 1.360 164 G CA -0.568 44.599 45.100 0.112 0.000 0.783 164 G HN -0.851 7.536 8.290 0.162 0.000 0.484 165 L N -1.553 119.727 121.223 0.095 0.000 2.455 165 L HA 0.428 4.806 4.340 0.062 0.000 0.264 165 L C -1.712 175.207 176.870 0.081 0.000 0.968 165 L CA -0.205 54.673 54.840 0.064 0.000 0.827 165 L CB 4.400 46.439 42.059 -0.034 0.000 1.317 165 L HN 0.888 9.060 8.230 0.132 0.137 0.407 166 L N 3.314 124.576 121.223 0.066 0.000 2.309 166 L HA 0.671 5.215 4.340 0.053 -0.172 0.282 166 L C -1.720 175.161 176.870 0.017 0.000 1.036 166 L CA -0.722 54.147 54.840 0.047 0.000 0.806 166 L CB 2.793 44.879 42.059 0.046 0.000 1.220 166 L HN 0.221 8.497 8.230 0.076 0.000 0.429 167 V N 6.181 126.078 119.914 -0.028 0.000 2.760 167 V HA 0.793 5.076 4.120 -0.084 -0.213 0.309 167 V C -2.369 173.558 176.094 -0.279 0.000 1.077 167 V CA -2.602 59.623 62.300 -0.125 0.000 0.910 167 V CB 3.945 35.693 31.823 -0.126 0.000 1.008 167 V HN 0.068 8.252 8.190 -0.009 0.000 0.424 168 S N 8.399 123.916 115.700 -0.305 0.000 2.501 168 S HA 0.594 5.056 4.470 -0.254 -0.145 0.301 168 S C -1.410 172.927 174.600 -0.437 0.000 1.096 168 S CA -1.022 57.002 58.200 -0.293 0.000 1.063 168 S CB 2.298 65.452 63.200 -0.077 0.000 1.042 168 S HN 0.611 8.797 8.310 -0.207 0.000 0.494 169 H N 4.072 123.180 119.070 0.062 0.000 2.481 169 H HA 0.411 5.029 4.556 0.103 0.000 0.333 169 H C -1.183 174.197 175.328 0.087 0.000 1.066 169 H CA -0.794 55.302 56.048 0.080 0.000 1.209 169 H CB 2.042 31.840 29.762 0.061 0.000 1.445 169 H HN 0.749 9.005 8.280 -0.041 0.000 0.488 170 H N 5.798 124.952 119.070 0.140 0.000 2.658 170 H HA 0.241 4.851 4.556 0.089 0.000 0.337 170 H C -1.197 174.180 175.328 0.082 0.000 1.009 170 H CA -1.533 54.571 56.048 0.093 0.000 1.231 170 H CB 2.563 32.366 29.762 0.069 0.000 1.508 170 H HN -0.181 8.276 8.280 0.295 0.000 0.517 171 A N 9.468 132.551 122.820 0.439 0.000 3.077 171 A HA 0.082 4.493 4.320 0.152 0.000 0.255 171 A C -1.373 176.292 177.584 0.135 0.000 1.728 171 A CA -0.422 51.744 52.037 0.216 0.000 1.383 171 A CB -1.154 17.936 19.000 0.149 0.000 1.097 171 A HN 0.038 8.637 8.150 0.474 -0.165 0.634 172 E N 0.695 120.901 120.200 0.009 0.000 2.352 172 E HA 0.311 4.630 4.350 -0.051 0.000 0.280 172 E C -2.383 174.159 176.600 -0.097 0.000 0.930 172 E CA -2.787 53.541 56.400 -0.120 0.000 0.765 172 E CB 0.378 29.852 29.700 -0.376 0.000 1.219 172 E HN -0.489 7.822 8.360 0.035 0.071 0.434 173 P HA 0.017 4.429 4.420 -0.014 0.000 0.245 173 P C -0.964 176.308 177.300 -0.048 0.000 1.212 173 P CA 0.134 63.213 63.100 -0.034 0.000 0.774 173 P CB 0.488 32.176 31.700 -0.020 0.000 0.999 174 R N 0.219 120.663 120.500 -0.093 0.000 2.679 174 R HA -0.076 4.222 4.340 -0.070 0.000 0.268 174 R C -0.910 175.356 176.300 -0.057 0.000 1.044 174 R CA -0.886 55.160 56.100 -0.090 0.000 1.105 174 R CB -0.434 29.784 30.300 -0.137 0.000 0.989 174 R HN -0.489 7.608 8.270 -0.136 0.092 0.447 175 P HA 0.079 4.508 4.420 0.014 0.000 0.276 175 P C -1.492 175.781 177.300 -0.045 0.000 1.261 175 P CA -0.467 62.596 63.100 -0.062 0.000 0.800 175 P CB 0.734 32.337 31.700 -0.162 0.000 1.066 176 Y N -2.999 117.300 120.300 -0.000 0.000 2.299 176 Y HA 0.220 4.781 4.550 0.018 0.000 0.326 176 Y C -1.009 174.898 175.900 0.012 0.000 1.164 176 Y CA -0.432 57.675 58.100 0.012 0.000 1.234 176 Y CB 0.211 38.681 38.460 0.017 0.000 1.219 176 Y HN -0.130 8.140 8.280 -0.017 0.000 0.497 177 S N 2.488 118.242 115.700 0.089 0.000 2.568 177 S HA 0.241 4.648 4.470 -0.106 0.000 0.302 177 S C 0.592 175.275 174.600 0.139 0.000 1.082 177 S CA -1.646 56.568 58.200 0.023 0.000 1.009 177 S CB 2.837 66.043 63.200 0.010 0.000 1.069 177 S HN -0.028 8.384 8.310 0.170 0.000 0.500 178 Q N 3.575 123.435 119.800 0.099 0.000 2.226 178 Q HA -0.372 4.061 4.340 0.154 0.000 0.204 178 Q C 1.490 177.543 176.000 0.090 0.000 0.975 178 Q CA 3.237 59.106 55.803 0.111 0.000 0.866 178 Q CB -0.111 28.671 28.738 0.073 0.000 0.915 178 Q HN 0.686 8.981 8.270 0.041 0.000 0.440 179 E N -1.475 118.770 120.200 0.075 0.000 2.160 179 E HA -0.316 4.075 4.350 0.068 0.000 0.195 179 E C 2.213 178.870 176.600 0.096 0.000 0.991 179 E CA 2.966 59.411 56.400 0.076 0.000 0.810 179 E CB -1.101 28.638 29.700 0.066 0.000 0.742 179 E HN 0.393 8.764 8.360 0.062 0.026 0.466 180 E N -0.581 119.684 120.200 0.109 0.000 2.110 180 E HA -0.290 4.137 4.350 0.128 0.000 0.193 180 E C 1.912 178.572 176.600 0.100 0.000 0.988 180 E CA 2.457 58.928 56.400 0.119 0.000 0.804 180 E CB -0.427 29.353 29.700 0.133 0.000 0.745 180 E HN -0.537 7.767 8.360 0.112 0.124 0.458 181 L N -1.321 119.956 121.223 0.090 0.000 2.093 181 L HA -0.315 4.057 4.340 0.052 0.000 0.208 181 L C 2.025 178.926 176.870 0.052 0.000 1.085 181 L CA 2.529 57.406 54.840 0.063 0.000 0.755 181 L CB -0.630 41.464 42.059 0.058 0.000 0.904 181 L HN -0.519 7.659 8.230 0.104 0.115 0.435 182 Q N -0.377 119.458 119.800 0.058 0.000 2.152 182 Q HA -0.324 4.037 4.340 0.034 0.000 0.206 182 Q C 2.681 178.703 176.000 0.036 0.000 0.985 182 Q CA 3.017 58.848 55.803 0.046 0.000 0.863 182 Q CB -0.471 28.300 28.738 0.054 0.000 0.904 182 Q HN -0.474 7.751 8.270 0.069 0.087 0.422 183 V N -1.487 118.463 119.914 0.060 0.000 2.270 183 V HA -0.326 3.789 4.120 -0.010 0.000 0.245 183 V C 2.328 178.419 176.094 -0.006 0.000 1.043 183 V CA 3.958 66.280 62.300 0.036 0.000 1.014 183 V CB -0.373 31.535 31.823 0.142 0.000 0.645 183 V HN -0.595 7.634 8.190 0.085 0.012 0.447 184 V N -3.487 116.442 119.914 0.025 0.000 2.667 184 V HA -0.412 3.709 4.120 0.000 0.000 0.252 184 V C 1.824 177.922 176.094 0.006 0.000 1.065 184 V CA 3.519 65.828 62.300 0.014 0.000 1.083 184 V CB -1.057 30.784 31.823 0.030 0.000 0.692 184 V HN -0.808 7.412 8.190 0.050 0.000 0.468 185 Q N 1.654 121.460 119.800 0.011 0.000 2.077 185 Q HA -0.420 3.927 4.340 0.011 0.000 0.206 185 Q C 2.538 178.538 176.000 -0.001 0.000 0.989 185 Q CA 3.719 59.527 55.803 0.008 0.000 0.853 185 Q CB -0.159 28.587 28.738 0.014 0.000 0.907 185 Q HN 0.452 8.632 8.270 0.019 0.102 0.418 186 L N -1.581 119.635 121.223 -0.013 0.000 2.095 186 L HA -0.147 4.185 4.340 -0.013 0.000 0.204 186 L C 1.729 178.582 176.870 -0.028 0.000 1.080 186 L CA 2.669 57.496 54.840 -0.022 0.000 0.759 186 L CB 0.145 42.181 42.059 -0.037 0.000 0.914 186 L HN -0.750 7.471 8.230 -0.015 0.000 0.439 187 L N -2.522 118.677 121.223 -0.040 0.000 2.131 187 L HA -0.174 4.140 4.340 -0.043 0.000 0.206 187 L C 2.338 179.201 176.870 -0.012 0.000 1.087 187 L CA 2.385 57.202 54.840 -0.039 0.000 0.767 187 L CB -0.470 41.553 42.059 -0.061 0.000 0.917 187 L HN -0.796 7.408 8.230 -0.045 0.000 0.441 188 A N -1.002 121.817 122.820 -0.001 0.000 1.902 188 A HA -0.460 3.873 4.320 0.021 0.000 0.217 188 A C 1.371 178.966 177.584 0.019 0.000 1.181 188 A CA 3.667 55.713 52.037 0.016 0.000 0.623 188 A CB -0.892 18.120 19.000 0.021 0.000 0.818 188 A HN 1.007 9.016 8.150 -0.005 0.138 0.443 189 D N -1.336 119.070 120.400 0.010 0.000 2.144 189 D HA -0.284 4.361 4.640 0.008 0.000 0.199 189 D C 2.101 178.410 176.300 0.015 0.000 0.984 189 D CA 3.043 57.048 54.000 0.009 0.000 0.834 189 D CB -0.033 40.769 40.800 0.004 0.000 0.955 189 D HN -0.558 7.814 8.370 0.004 0.000 0.465 190 Q N -1.181 118.623 119.800 0.007 0.000 2.230 190 Q HA -0.226 4.119 4.340 0.009 0.000 0.202 190 Q C 2.455 178.463 176.000 0.013 0.000 0.963 190 Q CA 2.624 58.430 55.803 0.006 0.000 0.866 190 Q CB 0.109 28.842 28.738 -0.007 0.000 0.931 190 Q HN -0.744 7.427 8.270 0.001 0.099 0.452 191 V N 0.408 120.332 119.914 0.018 0.000 2.379 191 V HA -0.457 3.670 4.120 0.013 0.000 0.243 191 V C 1.298 177.418 176.094 0.044 0.000 1.035 191 V CA 3.782 66.096 62.300 0.023 0.000 1.035 191 V CB 0.129 31.965 31.823 0.023 0.000 0.673 191 V HN -0.080 7.969 8.190 0.016 0.150 0.457 192 S N 0.250 115.992 115.700 0.069 0.000 2.402 192 S HA -0.324 4.363 4.470 0.144 -0.131 0.233 192 S C 2.290 176.978 174.600 0.147 0.000 1.030 192 S CA 3.344 61.622 58.200 0.131 0.000 1.003 192 S CB -0.216 63.071 63.200 0.145 0.000 0.813 192 S HN 0.528 8.754 8.310 0.056 0.118 0.477 193 I N 1.016 121.645 120.570 0.098 0.000 2.500 193 I HA -0.280 3.989 4.170 0.165 0.000 0.252 193 I C 1.056 177.197 176.117 0.041 0.000 1.142 193 I CA 2.598 63.954 61.300 0.094 0.000 1.451 193 I CB -0.299 37.734 38.000 0.055 0.000 1.093 193 I HN -0.694 7.525 8.210 0.068 0.032 0.430 194 A N 1.000 123.830 122.820 0.017 0.000 1.873 194 A HA -0.237 4.076 4.320 -0.013 0.000 0.215 194 A C 1.813 179.370 177.584 -0.046 0.000 1.186 194 A CA 3.295 55.325 52.037 -0.011 0.000 0.616 194 A CB -1.010 17.985 19.000 -0.009 0.000 0.823 194 A HN 0.013 8.021 8.150 0.027 0.158 0.442 195 I N -5.083 115.454 120.570 -0.054 0.000 2.286 195 I HA -0.454 3.643 4.170 -0.121 0.000 0.248 195 I C 1.632 177.598 176.117 -0.252 0.000 1.115 195 I CA 3.337 64.558 61.300 -0.131 0.000 1.392 195 I CB -0.689 37.247 38.000 -0.106 0.000 1.065 195 I HN 0.132 8.333 8.210 -0.016 0.000 0.418 196 A N 0.394 123.089 122.820 -0.209 0.000 1.898 196 A HA -0.247 3.748 4.320 -0.542 0.000 0.216 196 A C 2.379 179.862 177.584 -0.168 0.000 1.181 196 A CA 2.429 54.305 52.037 -0.268 0.000 0.620 196 A CB -0.371 18.610 19.000 -0.032 0.000 0.819 196 A HN -0.606 7.395 8.150 -0.087 0.097 0.442 197 Q N -2.091 117.660 119.800 -0.082 0.000 2.123 197 Q HA -0.265 4.046 4.340 -0.048 0.000 0.199 197 Q C 2.555 178.506 176.000 -0.082 0.000 0.966 197 Q CA 2.402 58.170 55.803 -0.059 0.000 0.845 197 Q CB 0.021 28.744 28.738 -0.026 0.000 0.907 197 Q HN -0.022 8.217 8.270 -0.052 0.000 0.439 198 A N -1.049 121.713 122.820 -0.096 0.000 1.969 198 A HA -0.175 4.103 4.320 -0.071 0.000 0.218 198 A C 2.283 179.794 177.584 -0.121 0.000 1.169 198 A CA 2.492 54.472 52.037 -0.094 0.000 0.635 198 A CB -0.614 18.332 19.000 -0.089 0.000 0.810 198 A HN 0.427 8.411 8.150 -0.098 0.108 0.445 199 E N -1.082 119.010 120.200 -0.181 0.000 2.160 199 E HA -0.264 3.973 4.350 -0.189 0.000 0.195 199 E C 1.682 178.193 176.600 -0.148 0.000 0.991 199 E CA 2.387 58.661 56.400 -0.210 0.000 0.810 199 E CB -0.172 29.316 29.700 -0.354 0.000 0.742 199 E HN -0.582 7.632 8.360 -0.212 0.018 0.466 200 L N -1.991 119.159 121.223 -0.121 0.000 2.131 200 L HA -0.266 4.026 4.340 -0.081 0.000 0.210 200 L C 1.829 178.661 176.870 -0.064 0.000 1.092 200 L CA 2.016 56.807 54.840 -0.081 0.000 0.759 200 L CB -0.275 41.748 42.059 -0.059 0.000 0.903 200 L HN -0.555 7.481 8.230 -0.127 0.118 0.435 201 S N -0.422 115.239 115.700 -0.064 0.000 2.359 201 S HA -0.271 4.175 4.470 -0.041 0.000 0.223 201 S C 0.644 175.215 174.600 -0.049 0.000 1.039 201 S CA 2.605 60.775 58.200 -0.050 0.000 1.042 201 S CB 0.113 63.283 63.200 -0.049 0.000 0.915 201 S HN -0.593 7.546 8.310 -0.074 0.126 0.439 202 L N 0.000 121.187 121.223 -0.059 0.000 2.949 202 L HA 0.000 4.314 4.340 -0.044 0.000 0.249 202 L CA 0.000 54.808 54.840 -0.053 0.000 0.813 202 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 202 L HN 0.000 8.187 8.230 -0.072 0.000 0.502