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 1iof_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKVLVTGFEP FGGEKINPTE RIAKDLDGIK IGDAQVFGRV LPVVFGKAKE DATA SEQUENCE VLEKTLEEIK PDIAIHVGLA PGRSAISIER IAVNAIDARI PDNEGKKIED DATA SEQUENCE EPIVPGAPTA YFSTLPIKKI MKKLHERGIP AYISNSAGLY LCNYVMYLSL DATA SEQUENCE HHSATKGYPK MSGFIHVPYI PEQIIDKIGK GQVPPSMCYE MELEAVKVAI DATA SEQUENCE EVALEELL 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 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.340 176.300 0.066 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 1.382 121.829 120.400 0.079 0.000 2.207 2 K HA 0.864 5.203 4.320 0.032 0.000 0.255 2 K C -0.989 175.683 176.600 0.120 0.000 0.941 2 K CA -0.815 55.583 56.287 0.184 0.000 0.825 2 K CB 2.888 35.456 32.500 0.113 0.000 1.119 2 K HN 0.413 8.663 8.250 -0.000 0.000 0.430 3 V N 3.799 123.827 119.914 0.191 0.000 2.487 3 V HA 0.338 4.478 4.120 0.032 0.000 0.298 3 V C -0.639 175.538 176.094 0.138 0.000 1.028 3 V CA -0.909 61.446 62.300 0.091 0.000 0.860 3 V CB 1.654 33.504 31.823 0.045 0.000 0.991 3 V HN 0.633 8.823 8.190 -0.000 0.000 0.427 4 L N 5.311 126.536 121.223 0.002 0.000 2.309 4 L HA 0.695 5.054 4.340 0.032 0.000 0.282 4 L C -0.990 175.802 176.870 -0.129 0.000 1.036 4 L CA -0.471 54.351 54.840 -0.030 0.000 0.806 4 L CB 1.918 43.901 42.059 -0.126 0.000 1.220 4 L HN 0.417 8.647 8.230 -0.000 0.000 0.429 5 V N 3.181 123.029 119.914 -0.109 0.000 2.444 5 V HA 0.434 4.573 4.120 0.032 0.000 0.294 5 V C 0.173 176.160 176.094 -0.178 0.000 1.022 5 V CA -0.421 61.772 62.300 -0.179 0.000 0.850 5 V CB 2.215 33.968 31.823 -0.116 0.000 0.992 5 V HN 0.924 9.114 8.190 -0.000 0.000 0.426 6 T N 1.912 116.319 114.554 -0.245 0.000 2.949 6 T HA 0.944 5.314 4.350 0.032 0.000 0.287 6 T C 0.044 174.611 174.700 -0.221 0.000 1.034 6 T CA -0.384 61.601 62.100 -0.192 0.000 1.018 6 T CB 2.213 70.994 68.868 -0.145 0.000 1.135 6 T HN 0.980 9.220 8.240 -0.000 0.000 0.532 7 G N -0.402 108.253 108.800 -0.242 0.000 2.727 7 G HA2 0.668 4.647 3.960 0.032 0.000 0.289 7 G HA3 0.668 4.647 3.960 0.032 0.000 0.289 7 G C -1.948 172.787 174.900 -0.275 0.000 1.418 7 G CA -0.999 43.991 45.100 -0.182 0.000 0.818 7 G HN 0.588 8.878 8.290 -0.000 0.000 0.486 8 F N -0.105 119.847 119.950 0.003 0.000 2.575 8 F HA 0.494 5.038 4.527 0.029 0.000 0.330 8 F C 0.874 176.628 175.800 -0.075 0.000 1.056 8 F CA -0.713 57.288 58.000 0.001 0.000 0.964 8 F CB 1.865 40.898 39.000 0.056 0.000 1.258 8 F HN 0.417 8.717 8.300 -0.000 0.000 0.484 9 E N 1.235 121.548 120.200 0.189 0.000 2.435 9 E HA 0.118 4.487 4.350 0.032 0.000 0.254 9 E C -2.384 174.201 176.600 -0.024 0.000 1.289 9 E CA -1.554 54.892 56.400 0.076 0.000 0.983 9 E CB -0.148 29.612 29.700 0.100 0.000 1.010 9 E HN 0.168 8.528 8.360 -0.000 0.000 0.509 10 P HA -0.039 4.381 4.420 -0.000 0.000 0.264 10 P C -0.930 176.399 177.300 0.048 0.000 1.229 10 P CA 0.457 63.529 63.100 -0.045 0.000 0.780 10 P CB -0.044 31.663 31.700 0.013 0.000 0.808 11 F N 1.744 121.746 119.950 0.086 0.000 2.440 11 F HA 0.306 4.851 4.527 0.030 0.000 0.323 11 F C 1.888 177.731 175.800 0.072 0.000 1.192 11 F CA -0.473 57.571 58.000 0.073 0.000 1.252 11 F CB -0.608 38.442 39.000 0.083 0.000 1.214 11 F HN 0.225 8.525 8.300 -0.000 0.000 0.578 12 G N 0.110 109.082 108.800 0.288 0.000 2.178 12 G HA2 0.369 4.348 3.960 0.032 0.000 0.244 12 G HA3 0.369 4.348 3.960 0.032 0.000 0.244 12 G C 0.805 175.792 174.900 0.145 0.000 1.213 12 G CA 0.224 45.423 45.100 0.165 0.000 0.912 12 G HN 1.295 9.585 8.290 -0.000 0.000 0.474 13 G N 2.031 110.897 108.800 0.110 0.000 3.047 13 G HA2 -0.231 3.748 3.960 0.032 0.000 0.203 13 G HA3 -0.231 3.748 3.960 0.032 0.000 0.203 13 G C 0.368 175.326 174.900 0.097 0.000 1.444 13 G CA 0.096 45.253 45.100 0.095 0.000 1.020 13 G HN 0.779 9.069 8.290 -0.000 0.000 0.563 14 E N 1.060 121.339 120.200 0.131 0.000 2.415 14 E HA 0.405 4.774 4.350 0.032 0.000 0.262 14 E C 0.859 177.502 176.600 0.073 0.000 1.038 14 E CA 0.083 56.553 56.400 0.117 0.000 0.921 14 E CB 1.457 31.250 29.700 0.156 0.000 0.950 14 E HN 0.376 8.736 8.360 -0.000 0.000 0.438 15 K N 1.107 121.537 120.400 0.052 0.000 2.352 15 K HA 0.245 4.584 4.320 0.032 0.000 0.194 15 K C 0.483 177.097 176.600 0.022 0.000 1.038 15 K CA 0.073 56.380 56.287 0.032 0.000 1.023 15 K CB 0.331 32.843 32.500 0.020 0.000 0.840 15 K HN 0.589 8.839 8.250 -0.000 0.000 0.519 16 I N -0.948 119.638 120.570 0.027 0.000 2.686 16 I HA 0.450 4.639 4.170 0.032 0.000 0.295 16 I C -1.872 174.252 176.117 0.013 0.000 1.114 16 I CA -0.872 60.438 61.300 0.017 0.000 1.038 16 I CB 1.983 39.993 38.000 0.017 0.000 1.238 16 I HN -0.181 8.029 8.210 -0.000 0.000 0.420 17 N N 7.976 126.665 118.700 -0.018 0.000 2.524 17 N HA 0.430 5.189 4.740 0.032 0.000 0.261 17 N C -2.137 173.384 175.510 0.019 0.000 0.998 17 N CA -2.179 50.835 53.050 -0.060 0.000 0.915 17 N CB 2.284 40.667 38.487 -0.173 0.000 1.187 17 N HN 0.456 8.836 8.380 -0.000 0.000 0.507 18 P HA -0.105 4.315 4.420 -0.000 0.000 0.223 18 P C 0.990 178.398 177.300 0.180 0.000 1.144 18 P CA 1.161 64.372 63.100 0.185 0.000 0.783 18 P CB 0.132 31.985 31.700 0.256 0.000 0.771 19 T N -3.164 111.448 114.554 0.096 0.000 3.043 19 T HA -0.061 4.308 4.350 0.032 0.000 0.263 19 T C 1.877 176.608 174.700 0.052 0.000 1.094 19 T CA 0.595 62.739 62.100 0.073 0.000 1.127 19 T CB -0.632 68.288 68.868 0.087 0.000 0.905 19 T HN 0.170 8.410 8.240 -0.000 0.000 0.490 20 E N 1.229 121.455 120.200 0.044 0.000 2.077 20 E HA -0.183 4.186 4.350 0.032 0.000 0.193 20 E C 2.437 179.063 176.600 0.043 0.000 0.989 20 E CA 0.918 57.333 56.400 0.025 0.000 0.800 20 E CB -0.026 29.683 29.700 0.015 0.000 0.746 20 E HN 0.523 8.883 8.360 -0.000 0.000 0.452 21 R N 0.041 120.591 120.500 0.084 0.000 2.073 21 R HA -0.002 4.357 4.340 0.032 0.000 0.229 21 R C 2.515 178.934 176.300 0.198 0.000 1.120 21 R CA 1.290 57.452 56.100 0.104 0.000 0.967 21 R CB -0.209 30.108 30.300 0.027 0.000 0.862 21 R HN 0.265 8.535 8.270 -0.000 0.000 0.436 22 I N 0.690 121.394 120.570 0.224 0.000 2.264 22 I HA -0.292 3.897 4.170 0.032 0.000 0.248 22 I C 2.522 178.659 176.117 0.034 0.000 1.111 22 I CA 1.285 62.648 61.300 0.105 0.000 1.382 22 I CB -0.414 37.588 38.000 0.004 0.000 1.060 22 I HN 0.231 8.441 8.210 -0.000 0.000 0.418 23 A N 0.897 123.724 122.820 0.012 0.000 1.877 23 A HA -0.215 4.124 4.320 0.032 0.000 0.216 23 A C 2.324 179.905 177.584 -0.006 0.000 1.186 23 A CA 1.611 53.636 52.037 -0.019 0.000 0.620 23 A CB -0.422 18.555 19.000 -0.037 0.000 0.822 23 A HN 0.308 8.458 8.150 -0.000 0.000 0.443 24 K N -0.530 119.876 120.400 0.009 0.000 2.097 24 K HA -0.119 4.220 4.320 0.032 0.000 0.205 24 K C 1.184 177.788 176.600 0.006 0.000 1.050 24 K CA 1.402 57.692 56.287 0.004 0.000 0.938 24 K CB -0.173 32.331 32.500 0.006 0.000 0.718 24 K HN 0.352 8.602 8.250 -0.000 0.000 0.442 25 D N 0.481 120.901 120.400 0.032 0.000 2.317 25 D HA -0.039 4.621 4.640 0.032 0.000 0.211 25 D C 1.394 177.695 176.300 0.002 0.000 0.966 25 D CA 0.802 54.822 54.000 0.035 0.000 0.876 25 D CB 0.205 41.066 40.800 0.100 0.000 0.927 25 D HN 0.130 8.500 8.370 -0.000 0.000 0.519 26 L N -0.031 121.183 121.223 -0.014 0.000 2.616 26 L HA 0.117 4.476 4.340 0.032 0.000 0.229 26 L C 0.461 177.289 176.870 -0.069 0.000 1.110 26 L CA -0.232 54.583 54.840 -0.042 0.000 0.884 26 L CB 0.326 42.357 42.059 -0.046 0.000 1.115 26 L HN -0.185 8.045 8.230 -0.000 0.000 0.481 27 D N 0.646 121.009 120.400 -0.061 0.000 2.417 27 D HA 0.257 4.916 4.640 0.032 0.000 0.250 27 D C 1.214 177.433 176.300 -0.135 0.000 1.166 27 D CA 1.306 55.251 54.000 -0.091 0.000 0.881 27 D CB 1.000 41.769 40.800 -0.051 0.000 1.164 27 D HN 0.267 8.637 8.370 -0.000 0.000 0.467 28 G N 3.018 111.673 108.800 -0.241 0.000 2.176 28 G HA2 -0.264 3.715 3.960 0.032 0.000 0.253 28 G HA3 -0.264 3.715 3.960 0.032 0.000 0.253 28 G C 0.721 175.504 174.900 -0.195 0.000 0.979 28 G CA 0.422 45.372 45.100 -0.250 0.000 0.641 28 G HN 0.760 9.050 8.290 -0.000 0.000 0.530 29 I N -2.270 118.204 120.570 -0.160 0.000 3.156 29 I HA 0.819 5.008 4.170 0.032 0.000 0.306 29 I C 0.131 176.172 176.117 -0.127 0.000 1.048 29 I CA -0.877 60.354 61.300 -0.116 0.000 1.207 29 I CB 0.883 38.835 38.000 -0.081 0.000 1.456 29 I HN -0.046 8.164 8.210 -0.000 0.000 0.616 30 K N 3.222 123.568 120.400 -0.090 0.000 2.443 30 K HA 0.615 4.954 4.320 0.032 0.000 0.252 30 K C -1.419 175.147 176.600 -0.055 0.000 0.933 30 K CA -0.515 55.725 56.287 -0.079 0.000 0.792 30 K CB 2.428 34.887 32.500 -0.068 0.000 1.185 30 K HN 0.536 8.786 8.250 -0.000 0.000 0.425 31 I N 2.788 123.330 120.570 -0.046 0.000 2.411 31 I HA 0.259 4.448 4.170 0.032 0.000 0.284 31 I C 0.863 176.963 176.117 -0.027 0.000 1.012 31 I CA -0.072 61.207 61.300 -0.035 0.000 1.119 31 I CB 1.313 39.292 38.000 -0.035 0.000 1.261 31 I HN 0.997 9.207 8.210 -0.000 0.000 0.448 32 G N 6.370 115.156 108.800 -0.024 0.000 2.574 32 G HA2 -0.353 3.626 3.960 0.032 0.000 0.301 32 G HA3 -0.353 3.626 3.960 0.032 0.000 0.301 32 G C 0.082 174.970 174.900 -0.020 0.000 1.166 32 G CA 0.781 45.870 45.100 -0.019 0.000 0.971 32 G HN 0.835 9.125 8.290 -0.000 0.000 0.542 33 D N 0.662 121.052 120.400 -0.017 0.000 2.538 33 D HA 0.623 5.283 4.640 0.032 0.000 0.231 33 D C 0.440 176.732 176.300 -0.012 0.000 1.229 33 D CA 0.663 54.654 54.000 -0.015 0.000 0.828 33 D CB 0.679 41.472 40.800 -0.011 0.000 1.035 33 D HN 0.887 9.258 8.370 -0.000 0.000 0.495 34 A N 0.567 123.378 122.820 -0.015 0.000 2.292 34 A HA 0.463 4.802 4.320 0.032 0.000 0.319 34 A C -0.045 177.526 177.584 -0.023 0.000 1.206 34 A CA -0.739 51.296 52.037 -0.004 0.000 0.835 34 A CB 1.105 20.104 19.000 -0.001 0.000 1.164 34 A HN 0.073 8.223 8.150 -0.000 0.000 0.505 35 Q N 1.166 120.961 119.800 -0.009 0.000 2.293 35 Q HA 0.456 4.815 4.340 0.032 0.000 0.251 35 Q C -0.852 175.072 176.000 -0.127 0.000 0.930 35 Q CA 0.029 55.765 55.803 -0.112 0.000 0.893 35 Q CB 1.496 30.166 28.738 -0.114 0.000 1.215 35 Q HN 0.502 8.772 8.270 -0.000 0.000 0.425 36 V N 4.654 124.402 119.914 -0.277 0.000 2.513 36 V HA 0.486 4.625 4.120 0.032 0.000 0.299 36 V C -0.639 175.222 176.094 -0.389 0.000 1.035 36 V CA -0.537 61.666 62.300 -0.161 0.000 0.889 36 V CB 1.232 32.990 31.823 -0.108 0.000 0.988 36 V HN 0.559 8.749 8.190 -0.000 0.000 0.440 37 F N 1.576 121.489 119.950 -0.061 0.000 2.538 37 F HA 0.853 5.399 4.527 0.032 0.000 0.325 37 F C 0.702 176.459 175.800 -0.071 0.000 1.066 37 F CA -0.868 57.097 58.000 -0.058 0.000 0.946 37 F CB 2.204 41.169 39.000 -0.057 0.000 1.199 37 F HN 0.559 8.859 8.300 -0.000 0.000 0.473 38 G N 2.138 110.993 108.800 0.091 0.000 2.707 38 G HA2 0.704 4.683 3.960 0.032 0.000 0.299 38 G HA3 0.704 4.683 3.960 0.032 0.000 0.299 38 G C -1.310 173.600 174.900 0.016 0.000 1.442 38 G CA -0.749 44.362 45.100 0.018 0.000 1.009 38 G HN 0.351 8.641 8.290 -0.000 0.000 0.515 39 R N 0.943 121.432 120.500 -0.019 0.000 2.771 39 R HA 0.624 4.983 4.340 0.032 0.000 0.274 39 R C -1.351 174.908 176.300 -0.069 0.000 0.987 39 R CA -0.865 55.218 56.100 -0.027 0.000 0.908 39 R CB 2.336 32.622 30.300 -0.023 0.000 1.213 39 R HN 0.339 8.609 8.270 -0.000 0.000 0.468 40 V N 3.680 123.558 119.914 -0.060 0.000 2.357 40 V HA 0.402 4.541 4.120 0.032 0.000 0.284 40 V C 0.260 176.302 176.094 -0.086 0.000 1.018 40 V CA -0.731 61.520 62.300 -0.081 0.000 0.841 40 V CB 1.623 33.428 31.823 -0.031 0.000 0.991 40 V HN 0.462 8.652 8.190 -0.000 0.000 0.437 41 L N 7.876 128.988 121.223 -0.187 0.000 2.395 41 L HA 0.444 4.803 4.340 0.032 0.000 0.269 41 L C -1.911 174.995 176.870 0.060 0.000 1.133 41 L CA -1.633 53.128 54.840 -0.131 0.000 0.812 41 L CB 1.312 43.143 42.059 -0.379 0.000 1.125 41 L HN 0.407 8.637 8.230 -0.000 0.000 0.452 42 P HA 0.022 4.442 4.420 -0.000 0.000 0.274 42 P C -0.475 176.976 177.300 0.251 0.000 1.237 42 P CA -0.247 62.948 63.100 0.159 0.000 0.793 42 P CB 1.192 32.952 31.700 0.100 0.000 0.977 43 V N 2.625 122.650 119.914 0.185 0.000 2.306 43 V HA 0.139 4.278 4.120 0.032 0.000 0.286 43 V C 0.235 176.253 176.094 -0.126 0.000 1.404 43 V CA -0.125 62.213 62.300 0.063 0.000 1.467 43 V CB 0.241 32.157 31.823 0.154 0.000 1.459 43 V HN 0.257 8.447 8.190 -0.000 0.000 0.518 44 V N 2.503 122.348 119.914 -0.115 0.000 2.524 44 V HA 0.466 4.605 4.120 0.032 0.000 0.297 44 V C -0.237 175.785 176.094 -0.121 0.000 1.035 44 V CA -0.788 61.444 62.300 -0.114 0.000 0.867 44 V CB 1.778 33.610 31.823 0.015 0.000 1.004 44 V HN 0.480 8.670 8.190 -0.000 0.000 0.426 45 F N 3.576 123.404 119.950 -0.203 0.000 2.563 45 F HA 0.500 5.029 4.527 0.004 0.000 0.363 45 F C 1.576 177.349 175.800 -0.045 0.000 1.123 45 F CA 1.969 59.757 58.000 -0.354 0.000 1.307 45 F CB 0.587 39.251 39.000 -0.561 0.000 1.115 45 F HN 0.803 9.103 8.300 -0.000 0.000 0.592 46 G N 1.948 110.965 108.800 0.362 0.000 4.686 46 G HA2 -0.403 3.577 3.960 0.032 0.000 0.235 46 G HA3 -0.403 3.577 3.960 0.032 0.000 0.235 46 G C 1.168 176.196 174.900 0.213 0.000 1.589 46 G CA 0.278 45.535 45.100 0.262 0.000 1.172 46 G HN 0.633 8.923 8.290 -0.000 0.000 0.660 47 K N 1.425 121.919 120.400 0.157 0.000 2.063 47 K HA 0.240 4.579 4.320 0.032 0.000 0.208 47 K C 2.877 179.562 176.600 0.142 0.000 1.048 47 K CA 2.596 58.956 56.287 0.122 0.000 0.928 47 K CB -0.576 31.980 32.500 0.093 0.000 0.713 47 K HN 0.898 9.148 8.250 -0.000 0.000 0.442 48 A N 0.724 123.660 122.820 0.193 0.000 2.019 48 A HA -0.190 4.149 4.320 0.032 0.000 0.219 48 A C 2.014 179.718 177.584 0.200 0.000 1.164 48 A CA 1.789 53.956 52.037 0.217 0.000 0.644 48 A CB -0.438 18.755 19.000 0.321 0.000 0.805 48 A HN 0.386 8.536 8.150 -0.000 0.000 0.449 49 K N -0.249 120.299 120.400 0.246 0.000 2.031 49 K HA -0.134 4.205 4.320 0.032 0.000 0.205 49 K C 2.059 178.701 176.600 0.069 0.000 1.049 49 K CA 1.345 57.695 56.287 0.105 0.000 0.939 49 K CB -0.183 32.391 32.500 0.123 0.000 0.717 49 K HN 0.584 8.834 8.250 -0.000 0.000 0.438 50 E N 0.137 120.393 120.200 0.093 0.000 2.023 50 E HA -0.199 4.170 4.350 0.032 0.000 0.196 50 E C 1.861 178.489 176.600 0.046 0.000 1.003 50 E CA 1.845 58.285 56.400 0.067 0.000 0.809 50 E CB 0.034 29.779 29.700 0.074 0.000 0.755 50 E HN 0.140 8.500 8.360 -0.000 0.000 0.449 51 V N 1.956 121.899 119.914 0.049 0.000 2.332 51 V HA -0.277 3.862 4.120 0.032 0.000 0.248 51 V C 2.504 178.601 176.094 0.005 0.000 1.055 51 V CA 1.610 63.927 62.300 0.027 0.000 1.038 51 V CB -0.553 31.289 31.823 0.032 0.000 0.651 51 V HN 0.433 8.623 8.190 -0.000 0.000 0.450 52 L N -0.312 120.913 121.223 0.003 0.000 2.046 52 L HA -0.215 4.144 4.340 0.032 0.000 0.208 52 L C 2.549 179.385 176.870 -0.057 0.000 1.077 52 L CA 2.099 56.920 54.840 -0.031 0.000 0.747 52 L CB -0.233 41.798 42.059 -0.045 0.000 0.896 52 L HN 0.408 8.638 8.230 -0.000 0.000 0.432 53 E N -0.188 119.995 120.200 -0.029 0.000 2.072 53 E HA -0.207 4.163 4.350 0.032 0.000 0.190 53 E C 2.158 178.757 176.600 -0.003 0.000 0.982 53 E CA 1.141 57.529 56.400 -0.020 0.000 0.803 53 E CB 0.151 29.877 29.700 0.043 0.000 0.755 53 E HN 0.373 8.733 8.360 -0.000 0.000 0.453 54 K N -0.292 120.113 120.400 0.008 0.000 2.009 54 K HA -0.145 4.194 4.320 0.032 0.000 0.210 54 K C 2.226 178.816 176.600 -0.017 0.000 1.049 54 K CA 1.831 58.123 56.287 0.007 0.000 0.929 54 K CB -0.319 32.185 32.500 0.008 0.000 0.714 54 K HN 0.097 8.347 8.250 -0.000 0.000 0.440 55 T N 2.003 116.536 114.554 -0.035 0.000 2.720 55 T HA -0.109 4.260 4.350 0.032 0.000 0.268 55 T C 1.859 176.508 174.700 -0.085 0.000 1.037 55 T CA 1.033 63.096 62.100 -0.062 0.000 1.144 55 T CB -0.158 68.675 68.868 -0.058 0.000 0.864 55 T HN 0.118 8.358 8.240 -0.000 0.000 0.444 56 L N 0.289 121.453 121.223 -0.099 0.000 2.093 56 L HA -0.066 4.293 4.340 0.032 0.000 0.208 56 L C 2.808 179.724 176.870 0.078 0.000 1.085 56 L CA 1.170 55.942 54.840 -0.112 0.000 0.755 56 L CB -0.362 41.442 42.059 -0.426 0.000 0.904 56 L HN 0.174 8.404 8.230 -0.000 0.000 0.435 57 E N 0.163 120.415 120.200 0.087 0.000 2.047 57 E HA -0.246 4.124 4.350 0.032 0.000 0.191 57 E C 2.022 178.637 176.600 0.025 0.000 0.987 57 E CA 1.228 57.723 56.400 0.159 0.000 0.799 57 E CB -0.002 29.770 29.700 0.120 0.000 0.752 57 E HN 0.345 8.705 8.360 -0.000 0.000 0.449 58 E N -0.156 120.029 120.200 -0.026 0.000 2.077 58 E HA -0.169 4.200 4.350 0.032 0.000 0.193 58 E C 1.896 178.405 176.600 -0.152 0.000 0.989 58 E CA 1.244 57.600 56.400 -0.075 0.000 0.800 58 E CB -0.070 29.591 29.700 -0.065 0.000 0.746 58 E HN 0.303 8.663 8.360 -0.000 0.000 0.452 59 I N 0.254 120.693 120.570 -0.219 0.000 3.035 59 I HA -0.053 4.136 4.170 0.032 0.000 0.271 59 I C 0.311 176.239 176.117 -0.314 0.000 1.190 59 I CA 0.141 61.205 61.300 -0.393 0.000 1.472 59 I CB 0.114 37.737 38.000 -0.629 0.000 1.116 59 I HN -0.045 8.165 8.210 -0.000 0.000 0.443 60 K N 0.883 121.155 120.400 -0.213 0.000 3.730 60 K HA -0.167 4.172 4.320 0.032 0.000 0.276 60 K C -2.331 174.161 176.600 -0.180 0.000 0.904 60 K CA -0.264 55.847 56.287 -0.293 0.000 0.741 60 K CB -1.577 30.550 32.500 -0.621 0.000 1.542 60 K HN 0.252 8.502 8.250 -0.000 0.000 0.446 61 P HA 0.037 4.457 4.420 -0.000 0.000 0.272 61 P C -0.039 177.270 177.300 0.016 0.000 1.223 61 P CA -0.056 63.005 63.100 -0.064 0.000 0.784 61 P CB 0.617 32.271 31.700 -0.077 0.000 0.923 62 D N 0.415 120.817 120.400 0.004 0.000 2.213 62 D HA 0.080 4.740 4.640 0.032 0.000 0.205 62 D C 0.341 176.650 176.300 0.016 0.000 0.961 62 D CA 1.115 55.127 54.000 0.021 0.000 0.853 62 D CB 0.021 40.827 40.800 0.009 0.000 0.967 62 D HN 0.298 8.668 8.370 -0.000 0.000 0.496 63 I N 0.431 120.999 120.570 -0.003 0.000 2.499 63 I HA 0.508 4.697 4.170 0.032 0.000 0.288 63 I C -1.129 174.952 176.117 -0.059 0.000 1.048 63 I CA -0.971 60.315 61.300 -0.023 0.000 1.062 63 I CB 2.207 40.193 38.000 -0.023 0.000 1.238 63 I HN -0.162 8.048 8.210 -0.000 0.000 0.426 64 A N 7.668 130.434 122.820 -0.091 0.000 2.342 64 A HA 0.888 5.227 4.320 0.032 0.000 0.323 64 A C -0.848 176.554 177.584 -0.303 0.000 1.125 64 A CA -0.454 51.452 52.037 -0.219 0.000 0.785 64 A CB 1.084 19.970 19.000 -0.190 0.000 1.221 64 A HN 0.670 8.820 8.150 -0.000 0.000 0.463 65 I N 3.564 123.862 120.570 -0.453 0.000 2.468 65 I HA 0.289 4.478 4.170 0.032 0.000 0.285 65 I C -0.816 174.968 176.117 -0.554 0.000 1.039 65 I CA -0.432 60.654 61.300 -0.356 0.000 1.074 65 I CB 1.541 39.414 38.000 -0.212 0.000 1.228 65 I HN 0.673 8.883 8.210 -0.000 0.000 0.436 66 H N 5.457 124.325 119.070 -0.337 0.000 2.463 66 H HA 0.609 5.185 4.556 0.034 0.000 0.332 66 H C -0.747 173.968 175.328 -1.022 0.000 1.127 66 H CA -0.598 55.115 56.048 -0.558 0.000 1.238 66 H CB 2.754 32.266 29.762 -0.416 0.000 1.478 66 H HN 0.187 8.467 8.280 -0.000 0.000 0.499 67 V N 1.537 121.058 119.914 -0.654 0.000 2.735 67 V HA 0.676 4.815 4.120 0.032 0.000 0.310 67 V C 0.380 176.387 176.094 -0.144 0.000 1.061 67 V CA -0.751 61.260 62.300 -0.481 0.000 0.913 67 V CB 2.143 33.841 31.823 -0.208 0.000 1.005 67 V HN 0.984 9.174 8.190 -0.000 0.000 0.428 68 G N 2.063 110.941 108.800 0.130 0.000 2.695 68 G HA2 0.608 4.587 3.960 0.032 0.000 0.290 68 G HA3 0.608 4.587 3.960 0.032 0.000 0.290 68 G C -1.792 173.440 174.900 0.553 0.000 1.410 68 G CA -0.772 44.663 45.100 0.559 0.000 0.844 68 G HN 0.652 8.942 8.290 -0.000 0.000 0.478 69 L N 1.116 122.656 121.223 0.529 0.000 2.319 69 L HA 0.594 4.953 4.340 0.032 0.000 0.280 69 L C 0.360 177.472 176.870 0.403 0.000 1.099 69 L CA -0.614 54.433 54.840 0.344 0.000 0.828 69 L CB 1.209 43.363 42.059 0.159 0.000 1.150 69 L HN 0.620 8.850 8.230 -0.000 0.000 0.442 70 A N 7.226 130.128 122.820 0.137 0.000 2.644 70 A HA 0.536 4.875 4.320 0.032 0.000 0.343 70 A C -2.408 175.045 177.584 -0.217 0.000 1.324 70 A CA -1.505 50.457 52.037 -0.125 0.000 0.846 70 A CB 0.112 18.946 19.000 -0.276 0.000 1.128 70 A HN 0.496 8.646 8.150 -0.000 0.000 0.484 71 P HA 0.173 4.593 4.420 -0.000 0.000 0.258 71 P C 1.183 178.306 177.300 -0.295 0.000 1.172 71 P CA 2.236 64.928 63.100 -0.680 0.000 0.762 71 P CB 0.533 31.989 31.700 -0.406 0.000 0.764 72 G N 2.174 110.874 108.800 -0.167 0.000 2.175 72 G HA2 -0.256 3.723 3.960 0.032 0.000 0.244 72 G HA3 -0.256 3.723 3.960 0.032 0.000 0.244 72 G C 0.349 175.271 174.900 0.036 0.000 0.982 72 G CA -0.419 44.710 45.100 0.048 0.000 0.641 72 G HN 0.549 8.839 8.290 -0.000 0.000 0.527 73 R N 0.535 121.040 120.500 0.008 0.000 2.500 73 R HA 0.566 4.925 4.340 0.032 0.000 0.275 73 R C 1.753 178.121 176.300 0.113 0.000 1.051 73 R CA 0.512 56.659 56.100 0.079 0.000 1.088 73 R CB 0.825 31.171 30.300 0.076 0.000 1.063 73 R HN 0.340 8.610 8.270 -0.000 0.000 0.511 74 S N 0.145 115.932 115.700 0.145 0.000 2.540 74 S HA 0.399 4.888 4.470 0.032 0.000 0.218 74 S C 0.270 174.962 174.600 0.153 0.000 0.977 74 S CA -0.023 58.254 58.200 0.128 0.000 0.918 74 S CB 0.728 63.981 63.200 0.089 0.000 0.806 74 S HN 0.578 8.888 8.310 -0.000 0.000 0.496 75 A N 0.870 123.825 122.820 0.225 0.000 2.567 75 A HA 0.697 5.036 4.320 0.032 0.000 0.289 75 A C -0.985 176.697 177.584 0.163 0.000 1.177 75 A CA -0.850 51.318 52.037 0.217 0.000 0.694 75 A CB 0.435 19.624 19.000 0.314 0.000 1.292 75 A HN 0.193 8.343 8.150 -0.000 0.000 0.425 76 I N 2.276 122.907 120.570 0.102 0.000 2.556 76 I HA 0.269 4.458 4.170 0.032 0.000 0.284 76 I C 0.551 176.586 176.117 -0.136 0.000 1.114 76 I CA 0.583 61.897 61.300 0.023 0.000 1.418 76 I CB 0.433 38.450 38.000 0.029 0.000 1.394 76 I HN 0.645 8.855 8.210 -0.000 0.000 0.552 77 S N 6.879 122.465 115.700 -0.190 0.000 2.519 77 S HA 0.694 5.183 4.470 0.032 0.000 0.309 77 S C -0.575 173.950 174.600 -0.125 0.000 1.100 77 S CA -0.834 57.099 58.200 -0.446 0.000 1.059 77 S CB 1.552 64.408 63.200 -0.573 0.000 1.008 77 S HN 0.355 8.665 8.310 -0.000 0.000 0.478 78 I N 2.956 123.447 120.570 -0.132 0.000 2.304 78 I HA 0.256 4.445 4.170 0.032 0.000 0.291 78 I C 0.206 176.349 176.117 0.044 0.000 1.018 78 I CA -0.429 60.867 61.300 -0.006 0.000 1.260 78 I CB 0.783 38.772 38.000 -0.018 0.000 1.390 78 I HN 0.551 8.761 8.210 -0.000 0.000 0.475 79 E N 6.190 126.468 120.200 0.129 0.000 2.324 79 E HA 0.059 4.428 4.350 0.032 0.000 0.271 79 E C 0.793 177.486 176.600 0.156 0.000 1.028 79 E CA 0.048 56.542 56.400 0.157 0.000 0.890 79 E CB 1.181 31.003 29.700 0.203 0.000 1.004 79 E HN 0.483 8.843 8.360 -0.000 0.000 0.431 80 R N 2.764 123.362 120.500 0.163 0.000 2.140 80 R HA 0.116 4.476 4.340 0.032 0.000 0.213 80 R C 0.254 176.744 176.300 0.318 0.000 1.059 80 R CA 0.717 56.943 56.100 0.209 0.000 1.000 80 R CB 0.424 30.841 30.300 0.195 0.000 0.910 80 R HN 0.434 8.704 8.270 -0.000 0.000 0.455 81 I N 0.227 120.947 120.570 0.250 0.000 2.656 81 I HA 0.403 4.592 4.170 0.032 0.000 0.292 81 I C -1.067 175.142 176.117 0.154 0.000 1.144 81 I CA -1.035 60.392 61.300 0.213 0.000 1.038 81 I CB 2.295 40.380 38.000 0.142 0.000 1.244 81 I HN -0.058 8.152 8.210 -0.000 0.000 0.420 82 A N 4.814 127.738 122.820 0.174 0.000 2.337 82 A HA 0.919 5.258 4.320 0.032 0.000 0.329 82 A C -0.643 177.084 177.584 0.239 0.000 1.146 82 A CA -0.651 51.514 52.037 0.213 0.000 0.800 82 A CB 1.644 20.821 19.000 0.295 0.000 1.220 82 A HN 0.797 8.947 8.150 -0.000 0.000 0.472 83 V N 0.305 120.300 119.914 0.135 0.000 2.864 83 V HA 0.603 4.742 4.120 0.032 0.000 0.314 83 V C -0.092 175.840 176.094 -0.271 0.000 1.073 83 V CA -0.941 61.351 62.300 -0.013 0.000 0.956 83 V CB 2.052 33.842 31.823 -0.055 0.000 1.023 83 V HN 0.781 8.971 8.190 -0.000 0.000 0.435 84 N N 2.522 120.920 118.700 -0.502 0.000 3.254 84 N HA 0.557 5.317 4.740 0.032 0.000 0.308 84 N C -0.328 174.937 175.510 -0.408 0.000 1.281 84 N CA 0.742 53.294 53.050 -0.830 0.000 1.212 84 N CB -0.444 37.606 38.487 -0.728 0.000 1.478 84 N HN 1.225 9.605 8.380 -0.000 0.000 0.548 85 A N 1.035 123.697 122.820 -0.263 0.000 2.574 85 A HA 0.636 4.975 4.320 0.032 0.000 0.297 85 A C -1.098 176.434 177.584 -0.086 0.000 1.062 85 A CA -0.658 51.287 52.037 -0.154 0.000 0.686 85 A CB 1.052 19.980 19.000 -0.121 0.000 1.285 85 A HN 0.266 8.416 8.150 -0.000 0.000 0.403 86 I N 1.485 121.998 120.570 -0.094 0.000 2.418 86 I HA 0.433 4.622 4.170 0.032 0.000 0.287 86 I C -1.120 174.941 176.117 -0.095 0.000 1.008 86 I CA -0.216 61.026 61.300 -0.096 0.000 1.104 86 I CB 2.082 39.919 38.000 -0.272 0.000 1.264 86 I HN 0.633 8.843 8.210 -0.000 0.000 0.438 87 D N 5.913 126.295 120.400 -0.031 0.000 2.517 87 D HA 0.368 5.027 4.640 0.032 0.000 0.263 87 D C -0.392 175.918 176.300 0.017 0.000 1.233 87 D CA -0.215 53.764 54.000 -0.034 0.000 0.849 87 D CB 1.191 41.968 40.800 -0.038 0.000 1.261 87 D HN 0.556 8.926 8.370 -0.000 0.000 0.516 88 A N 2.999 125.857 122.820 0.064 0.000 2.451 88 A HA 0.252 4.591 4.320 0.032 0.000 0.266 88 A C 1.497 179.085 177.584 0.006 0.000 1.119 88 A CA -0.206 51.939 52.037 0.179 0.000 0.786 88 A CB 0.607 19.869 19.000 0.437 0.000 1.061 88 A HN 0.544 8.694 8.150 -0.000 0.000 0.503 89 R N 1.858 122.286 120.500 -0.120 0.000 2.062 89 R HA 0.063 4.422 4.340 0.032 0.000 0.226 89 R C 0.080 176.285 176.300 -0.158 0.000 1.125 89 R CA 0.926 56.939 56.100 -0.144 0.000 0.966 89 R CB -0.119 30.071 30.300 -0.184 0.000 0.861 89 R HN 0.807 9.077 8.270 -0.000 0.000 0.433 90 I N 2.238 122.628 120.570 -0.300 0.000 2.677 90 I HA 0.218 4.407 4.170 0.032 0.000 0.305 90 I C -2.014 174.069 176.117 -0.056 0.000 0.988 90 I CA -2.612 58.546 61.300 -0.238 0.000 1.260 90 I CB 1.226 38.972 38.000 -0.423 0.000 1.410 90 I HN 0.035 8.245 8.210 -0.000 0.000 0.523 91 P HA 0.050 4.470 4.420 -0.000 0.000 0.272 91 P C -1.206 176.270 177.300 0.294 0.000 1.223 91 P CA -0.295 62.916 63.100 0.185 0.000 0.784 91 P CB 0.452 32.217 31.700 0.109 0.000 0.923 92 D N 1.025 121.611 120.400 0.310 0.000 2.369 92 D HA -0.053 4.606 4.640 0.032 0.000 0.241 92 D C 0.687 177.036 176.300 0.082 0.000 1.271 92 D CA -0.173 53.869 54.000 0.070 0.000 0.942 92 D CB -0.512 40.157 40.800 -0.219 0.000 1.129 92 D HN 0.306 8.676 8.370 -0.000 0.000 0.476 93 N N -0.676 118.052 118.700 0.046 0.000 2.513 93 N HA -0.130 4.629 4.740 0.032 0.000 0.187 93 N C 0.733 176.279 175.510 0.061 0.000 1.056 93 N CA 0.526 53.618 53.050 0.070 0.000 0.907 93 N CB 0.135 38.664 38.487 0.071 0.000 0.954 93 N HN 0.397 8.777 8.380 -0.000 0.000 0.445 94 E N -0.680 119.556 120.200 0.058 0.000 2.447 94 E HA 0.077 4.446 4.350 0.032 0.000 0.195 94 E C 1.355 177.993 176.600 0.063 0.000 1.028 94 E CA 0.274 56.710 56.400 0.059 0.000 0.876 94 E CB 0.546 30.283 29.700 0.061 0.000 0.885 94 E HN 0.419 8.779 8.360 -0.000 0.000 0.500 95 G N 2.239 111.085 108.800 0.076 0.000 2.184 95 G HA2 -0.252 3.727 3.960 0.032 0.000 0.206 95 G HA3 -0.252 3.727 3.960 0.032 0.000 0.206 95 G C 0.192 175.141 174.900 0.081 0.000 0.995 95 G CA 0.222 45.365 45.100 0.072 0.000 0.651 95 G HN 0.312 8.602 8.290 -0.000 0.000 0.511 96 K N 0.219 120.685 120.400 0.109 0.000 2.183 96 K HA 0.702 5.041 4.320 0.032 0.000 0.274 96 K C -0.363 176.335 176.600 0.164 0.000 1.009 96 K CA -0.879 55.471 56.287 0.104 0.000 0.888 96 K CB 1.819 34.372 32.500 0.088 0.000 1.078 96 K HN 0.112 8.362 8.250 -0.000 0.000 0.459 97 K N 4.965 125.421 120.400 0.093 0.000 2.274 97 K HA 0.323 4.662 4.320 0.032 0.000 0.262 97 K C -1.213 175.380 176.600 -0.013 0.000 0.961 97 K CA -0.659 55.687 56.287 0.099 0.000 0.833 97 K CB 0.974 33.508 32.500 0.056 0.000 1.102 97 K HN 0.721 8.971 8.250 -0.000 0.000 0.436 98 I N 4.032 124.541 120.570 -0.102 0.000 2.355 98 I HA 0.197 4.387 4.170 0.032 0.000 0.288 98 I C -0.129 175.898 176.117 -0.150 0.000 0.999 98 I CA -0.627 60.541 61.300 -0.221 0.000 1.163 98 I CB 1.595 39.279 38.000 -0.526 0.000 1.316 98 I HN 0.481 8.691 8.210 -0.000 0.000 0.454 99 E N 6.069 126.204 120.200 -0.107 0.000 2.134 99 E HA 0.125 4.495 4.350 0.032 0.000 0.278 99 E C -0.935 175.610 176.600 -0.091 0.000 0.959 99 E CA -0.430 55.921 56.400 -0.081 0.000 0.783 99 E CB 1.194 30.859 29.700 -0.057 0.000 1.095 99 E HN 0.472 8.832 8.360 -0.000 0.000 0.399 100 D N 2.821 123.167 120.400 -0.090 0.000 2.904 100 D HA -0.196 4.463 4.640 0.032 0.000 0.231 100 D C -0.442 175.801 176.300 -0.096 0.000 1.185 100 D CA 1.287 55.234 54.000 -0.087 0.000 0.783 100 D CB -0.428 40.332 40.800 -0.068 0.000 0.961 100 D HN 0.479 8.849 8.370 -0.000 0.000 0.409 101 E N 0.434 120.562 120.200 -0.119 0.000 2.256 101 E HA 0.493 4.862 4.350 0.032 0.000 0.267 101 E C -2.263 174.267 176.600 -0.117 0.000 0.892 101 E CA -1.700 54.630 56.400 -0.116 0.000 0.775 101 E CB 2.131 31.745 29.700 -0.143 0.000 1.207 101 E HN -0.037 8.323 8.360 -0.000 0.000 0.420 102 P HA 0.145 4.565 4.420 -0.000 0.000 0.276 102 P C 0.134 177.368 177.300 -0.109 0.000 1.252 102 P CA 0.029 63.048 63.100 -0.136 0.000 0.802 102 P CB 1.175 32.797 31.700 -0.129 0.000 1.035 103 I N 0.051 120.524 120.570 -0.161 0.000 2.296 103 I HA -0.024 4.165 4.170 0.032 0.000 0.242 103 I C 0.686 176.787 176.117 -0.026 0.000 1.087 103 I CA 1.159 62.432 61.300 -0.045 0.000 1.393 103 I CB 0.062 37.995 38.000 -0.111 0.000 1.093 103 I HN 0.016 8.226 8.210 -0.000 0.000 0.421 104 V N 2.383 122.246 119.914 -0.084 0.000 2.380 104 V HA 0.298 4.437 4.120 0.032 0.000 0.286 104 V C -2.483 173.576 176.094 -0.058 0.000 1.015 104 V CA -1.635 60.647 62.300 -0.031 0.000 0.834 104 V CB 1.078 32.871 31.823 -0.050 0.000 1.009 104 V HN 0.003 8.193 8.190 -0.000 0.000 0.428 105 P HA 0.185 4.605 4.420 -0.000 0.000 0.260 105 P C 1.085 178.371 177.300 -0.023 0.000 1.185 105 P CA 1.394 64.472 63.100 -0.037 0.000 0.763 105 P CB 0.544 32.232 31.700 -0.021 0.000 0.776 106 G N 2.134 110.913 108.800 -0.035 0.000 2.184 106 G HA2 -0.209 3.771 3.960 0.032 0.000 0.264 106 G HA3 -0.209 3.771 3.960 0.032 0.000 0.264 106 G C 0.486 175.381 174.900 -0.007 0.000 0.975 106 G CA 0.081 45.170 45.100 -0.019 0.000 0.642 106 G HN 0.848 9.138 8.290 -0.000 0.000 0.536 107 A N 0.475 123.286 122.820 -0.016 0.000 2.272 107 A HA 0.805 5.144 4.320 0.032 0.000 0.275 107 A C -1.336 176.234 177.584 -0.023 0.000 1.096 107 A CA -0.808 51.237 52.037 0.013 0.000 0.822 107 A CB 0.276 19.240 19.000 -0.061 0.000 1.088 107 A HN 0.197 8.347 8.150 -0.000 0.000 0.495 108 P HA 0.066 4.486 4.420 -0.000 0.000 0.269 108 P C 0.751 177.949 177.300 -0.170 0.000 1.211 108 P CA 0.239 63.229 63.100 -0.184 0.000 0.781 108 P CB 0.260 31.713 31.700 -0.411 0.000 0.877 109 T N -0.469 113.977 114.554 -0.181 0.000 2.857 109 T HA 0.145 4.514 4.350 0.032 0.000 0.266 109 T C 0.701 175.304 174.700 -0.162 0.000 1.048 109 T CA 1.578 63.576 62.100 -0.170 0.000 1.139 109 T CB -0.115 68.669 68.868 -0.139 0.000 0.874 109 T HN 0.644 8.884 8.240 -0.000 0.000 0.455 110 A N -0.472 122.225 122.820 -0.206 0.000 2.606 110 A HA 0.727 5.066 4.320 0.032 0.000 0.293 110 A C -2.101 175.292 177.584 -0.319 0.000 1.082 110 A CA -0.777 51.172 52.037 -0.147 0.000 0.685 110 A CB 1.065 19.941 19.000 -0.207 0.000 1.284 110 A HN 0.296 8.446 8.150 -0.000 0.000 0.408 111 Y N -0.317 119.966 120.300 -0.028 0.000 2.376 111 Y HA 0.554 5.122 4.550 0.030 0.000 0.340 111 Y C -0.324 175.530 175.900 -0.077 0.000 0.965 111 Y CA -0.340 57.710 58.100 -0.083 0.000 1.078 111 Y CB 2.002 40.416 38.460 -0.076 0.000 1.193 111 Y HN 0.642 8.922 8.280 -0.000 0.000 0.452 112 F N 1.339 121.420 119.950 0.218 0.000 2.418 112 F HA 0.160 4.707 4.527 0.033 0.000 0.341 112 F C 1.033 176.908 175.800 0.125 0.000 1.120 112 F CA -0.270 57.815 58.000 0.142 0.000 1.232 112 F CB 0.985 40.048 39.000 0.104 0.000 1.175 112 F HN 0.373 8.673 8.300 -0.000 0.000 0.569 113 S N 0.847 116.750 115.700 0.337 0.000 2.568 113 S HA 0.023 4.512 4.470 0.032 0.000 0.282 113 S C 0.971 175.659 174.600 0.148 0.000 1.338 113 S CA -0.257 58.060 58.200 0.196 0.000 1.045 113 S CB 0.578 63.876 63.200 0.164 0.000 0.873 113 S HN 0.778 9.088 8.310 -0.000 0.000 0.516 114 T N 3.138 117.748 114.554 0.095 0.000 3.086 114 T HA 0.304 4.673 4.350 0.032 0.000 0.250 114 T C 0.721 175.443 174.700 0.037 0.000 1.074 114 T CA -0.262 61.874 62.100 0.061 0.000 0.988 114 T CB -0.361 68.531 68.868 0.040 0.000 0.988 114 T HN 0.467 8.707 8.240 -0.000 0.000 0.530 115 L N 2.558 123.804 121.223 0.039 0.000 2.467 115 L HA 0.275 4.635 4.340 0.032 0.000 0.270 115 L C -1.746 175.130 176.870 0.009 0.000 1.205 115 L CA -2.002 52.849 54.840 0.018 0.000 0.828 115 L CB 0.056 42.127 42.059 0.019 0.000 1.101 115 L HN -0.019 8.211 8.230 -0.000 0.000 0.479 116 P HA 0.055 4.475 4.420 -0.000 0.000 0.244 116 P C 0.977 178.267 177.300 -0.018 0.000 1.769 116 P CA -0.067 63.026 63.100 -0.012 0.000 1.102 116 P CB -0.283 31.409 31.700 -0.015 0.000 1.937 117 I N -0.640 119.923 120.570 -0.013 0.000 2.264 117 I HA -0.227 3.962 4.170 0.032 0.000 0.248 117 I C 1.404 177.501 176.117 -0.032 0.000 1.111 117 I CA 1.420 62.712 61.300 -0.014 0.000 1.382 117 I CB -0.714 37.288 38.000 0.003 0.000 1.060 117 I HN -0.055 8.155 8.210 -0.000 0.000 0.418 118 K N 1.691 122.069 120.400 -0.037 0.000 2.228 118 K HA -0.003 4.336 4.320 0.032 0.000 0.202 118 K C 2.005 178.569 176.600 -0.059 0.000 1.051 118 K CA 1.043 57.302 56.287 -0.047 0.000 0.960 118 K CB -0.180 32.297 32.500 -0.038 0.000 0.743 118 K HN 0.503 8.753 8.250 -0.000 0.000 0.458 119 K N 0.628 121.001 120.400 -0.046 0.000 2.116 119 K HA 0.084 4.423 4.320 0.032 0.000 0.203 119 K C 2.228 178.795 176.600 -0.056 0.000 1.052 119 K CA 0.616 56.876 56.287 -0.045 0.000 0.952 119 K CB -0.051 32.430 32.500 -0.030 0.000 0.729 119 K HN 0.014 8.264 8.250 -0.000 0.000 0.446 120 I N 1.284 121.822 120.570 -0.052 0.000 2.163 120 I HA -0.336 3.853 4.170 0.032 0.000 0.243 120 I C 2.674 178.740 176.117 -0.085 0.000 1.085 120 I CA 1.312 62.580 61.300 -0.053 0.000 1.347 120 I CB -0.190 37.785 38.000 -0.042 0.000 1.044 120 I HN 0.260 8.470 8.210 -0.000 0.000 0.408 121 M N 0.813 120.341 119.600 -0.120 0.000 2.086 121 M HA -0.246 4.254 4.480 0.032 0.000 0.261 121 M C 2.439 178.501 176.300 -0.396 0.000 1.067 121 M CA 1.799 56.959 55.300 -0.234 0.000 1.116 121 M CB -0.259 32.215 32.600 -0.210 0.000 1.348 121 M HN 0.047 8.337 8.290 -0.000 0.000 0.407 122 K N 0.638 120.881 120.400 -0.261 0.000 2.147 122 K HA -0.232 4.107 4.320 0.032 0.000 0.205 122 K C 1.744 178.295 176.600 -0.082 0.000 1.049 122 K CA 1.754 57.927 56.287 -0.190 0.000 0.936 122 K CB -0.216 32.232 32.500 -0.086 0.000 0.722 122 K HN 0.219 8.469 8.250 -0.000 0.000 0.446 123 K N 0.888 121.250 120.400 -0.063 0.000 2.076 123 K HA 0.093 4.432 4.320 0.032 0.000 0.204 123 K C 2.272 178.877 176.600 0.008 0.000 1.051 123 K CA 0.762 57.039 56.287 -0.017 0.000 0.949 123 K CB -0.227 32.260 32.500 -0.021 0.000 0.726 123 K HN 0.123 8.373 8.250 -0.000 0.000 0.443 124 L N 0.013 121.233 121.223 -0.005 0.000 2.013 124 L HA -0.280 4.079 4.340 0.032 0.000 0.212 124 L C 2.279 179.242 176.870 0.155 0.000 1.073 124 L CA 1.857 56.728 54.840 0.052 0.000 0.753 124 L CB -0.612 41.476 42.059 0.049 0.000 0.890 124 L HN 0.455 8.685 8.230 -0.000 0.000 0.432 125 H N -0.649 118.433 119.070 0.020 0.000 2.387 125 H HA -0.176 4.399 4.556 0.032 0.000 0.299 125 H C 2.189 177.527 175.328 0.017 0.000 1.099 125 H CA 1.093 57.155 56.048 0.023 0.000 1.315 125 H CB 0.167 29.945 29.762 0.027 0.000 1.380 125 H HN 0.438 8.717 8.280 -0.000 0.000 0.513 126 E N 0.648 120.934 120.200 0.143 0.000 2.110 126 E HA -0.118 4.251 4.350 0.032 0.000 0.193 126 E C 1.746 178.379 176.600 0.055 0.000 0.988 126 E CA 0.436 56.883 56.400 0.077 0.000 0.804 126 E CB 0.139 29.868 29.700 0.049 0.000 0.745 126 E HN 0.323 8.683 8.360 -0.000 0.000 0.458 127 R N -0.144 120.389 120.500 0.054 0.000 2.319 127 R HA 0.033 4.392 4.340 0.032 0.000 0.204 127 R C 0.862 177.186 176.300 0.039 0.000 0.954 127 R CA 0.641 56.763 56.100 0.037 0.000 1.066 127 R CB 0.264 30.581 30.300 0.029 0.000 0.991 127 R HN 0.259 8.529 8.270 -0.000 0.000 0.486 128 G N 1.872 110.701 108.800 0.049 0.000 2.198 128 G HA2 -0.270 3.709 3.960 0.032 0.000 0.260 128 G HA3 -0.270 3.709 3.960 0.032 0.000 0.260 128 G C 0.134 175.058 174.900 0.040 0.000 1.025 128 G CA 0.055 45.175 45.100 0.033 0.000 0.769 128 G HN 0.328 8.618 8.290 -0.000 0.000 0.507 129 I N 2.221 122.833 120.570 0.070 0.000 2.312 129 I HA 0.268 4.457 4.170 0.032 0.000 0.290 129 I C -1.616 174.569 176.117 0.114 0.000 1.008 129 I CA -2.436 58.908 61.300 0.073 0.000 1.226 129 I CB 1.530 39.568 38.000 0.064 0.000 1.371 129 I HN -0.074 8.136 8.210 -0.000 0.000 0.468 130 P HA 0.183 4.603 4.420 -0.000 0.000 0.267 130 P C -0.881 176.534 177.300 0.193 0.000 1.209 130 P CA 0.058 63.213 63.100 0.092 0.000 0.763 130 P CB 1.177 32.912 31.700 0.058 0.000 0.816 131 A N 3.923 126.934 122.820 0.320 0.000 2.574 131 A HA 0.762 5.101 4.320 0.032 0.000 0.297 131 A C -1.550 176.266 177.584 0.388 0.000 1.062 131 A CA -0.625 51.576 52.037 0.274 0.000 0.686 131 A CB 1.349 20.448 19.000 0.166 0.000 1.285 131 A HN 0.629 8.779 8.150 -0.000 0.000 0.403 132 Y N -0.906 119.479 120.300 0.142 0.000 2.655 132 Y HA 0.827 5.396 4.550 0.032 0.000 0.336 132 Y C -1.172 174.781 175.900 0.088 0.000 1.154 132 Y CA -1.487 56.685 58.100 0.120 0.000 1.055 132 Y CB 0.947 39.473 38.460 0.110 0.000 1.295 132 Y HN 0.506 8.786 8.280 -0.000 0.000 0.465 133 I N 2.625 123.283 120.570 0.146 0.000 2.331 133 I HA 0.357 4.546 4.170 0.032 0.000 0.292 133 I C 0.044 176.250 176.117 0.148 0.000 0.998 133 I CA -0.312 61.025 61.300 0.061 0.000 1.267 133 I CB 1.510 39.559 38.000 0.082 0.000 1.386 133 I HN 0.712 8.922 8.210 -0.000 0.000 0.476 134 S N 4.369 120.102 115.700 0.054 0.000 2.565 134 S HA 0.371 4.860 4.470 0.032 0.000 0.290 134 S C 0.291 174.978 174.600 0.146 0.000 1.150 134 S CA -0.585 57.708 58.200 0.155 0.000 1.058 134 S CB 0.880 64.132 63.200 0.086 0.000 1.032 134 S HN 0.691 9.001 8.310 -0.000 0.000 0.510 135 N N 1.340 120.130 118.700 0.150 0.000 2.203 135 N HA 0.206 4.965 4.740 0.032 0.000 0.207 135 N C -0.863 174.715 175.510 0.113 0.000 1.130 135 N CA -0.208 52.924 53.050 0.136 0.000 0.861 135 N CB 0.873 39.437 38.487 0.128 0.000 1.005 135 N HN 0.438 8.818 8.380 -0.000 0.000 0.507 136 S N -0.393 115.369 115.700 0.103 0.000 2.546 136 S HA 0.609 5.098 4.470 0.032 0.000 0.272 136 S C -0.543 174.102 174.600 0.076 0.000 1.140 136 S CA -0.631 57.614 58.200 0.075 0.000 0.920 136 S CB 1.471 64.701 63.200 0.051 0.000 1.083 136 S HN 0.113 8.423 8.310 -0.000 0.000 0.476 137 A N 2.866 125.723 122.820 0.062 0.000 2.387 137 A HA 0.718 5.057 4.320 0.032 0.000 0.234 137 A C 1.220 178.831 177.584 0.044 0.000 1.253 137 A CA 0.467 52.551 52.037 0.078 0.000 0.894 137 A CB -1.033 17.929 19.000 -0.063 0.000 0.963 137 A HN 2.188 10.338 8.150 -0.000 0.000 0.508 138 G N -1.062 107.747 108.800 0.015 0.000 2.610 138 G HA2 -0.056 3.923 3.960 0.032 0.000 0.304 138 G HA3 -0.056 3.923 3.960 0.032 0.000 0.304 138 G C -0.280 174.631 174.900 0.019 0.000 1.309 138 G CA -0.293 44.807 45.100 -0.000 0.000 0.906 138 G HN 0.655 8.945 8.290 -0.000 0.000 0.521 139 L N 0.060 121.312 121.223 0.048 0.000 3.320 139 L HA 0.370 4.729 4.340 0.032 0.000 0.331 139 L C 0.068 177.044 176.870 0.178 0.000 1.306 139 L CA -0.330 54.553 54.840 0.071 0.000 0.892 139 L CB 0.308 42.383 42.059 0.026 0.000 1.337 139 L HN 0.643 8.873 8.230 -0.000 0.000 0.604 140 Y N -0.578 119.724 120.300 0.003 0.000 3.114 140 Y HA 0.391 4.957 4.550 0.027 0.000 0.325 140 Y C 1.199 177.080 175.900 -0.032 0.000 1.397 140 Y CA -0.352 57.771 58.100 0.040 0.000 1.008 140 Y CB 0.554 38.931 38.460 -0.138 0.000 1.338 140 Y HN -0.074 8.206 8.280 -0.000 0.000 0.730 141 L N 0.265 120.979 121.223 -0.848 0.000 2.127 141 L HA -0.260 4.099 4.340 0.032 0.000 0.211 141 L C 2.244 179.010 176.870 -0.173 0.000 1.089 141 L CA 1.537 56.017 54.840 -0.601 0.000 0.757 141 L CB -0.591 40.856 42.059 -1.020 0.000 0.899 141 L HN 0.681 8.911 8.230 -0.000 0.000 0.434 142 C N -0.917 118.249 119.300 -0.223 0.000 2.453 142 C HA -0.143 4.336 4.460 0.032 0.000 0.277 142 C C 2.627 177.396 174.990 -0.368 0.000 1.262 142 C CA 1.154 60.044 59.018 -0.214 0.000 1.718 142 C CB -1.263 26.345 27.740 -0.219 0.000 2.031 142 C HN 0.656 8.886 8.230 -0.000 0.000 0.480 143 N N -0.218 118.377 118.700 -0.176 0.000 2.142 143 N HA -0.180 4.579 4.740 0.032 0.000 0.186 143 N C 1.709 177.303 175.510 0.140 0.000 1.023 143 N CA 1.354 54.370 53.050 -0.057 0.000 0.852 143 N CB -0.509 37.987 38.487 0.016 0.000 0.998 143 N HN 0.556 8.936 8.380 -0.000 0.000 0.424 144 Y N 1.003 121.340 120.300 0.061 0.000 2.040 144 Y HA -0.283 4.293 4.550 0.043 0.000 0.275 144 Y C 2.381 178.369 175.900 0.148 0.000 1.171 144 Y CA 2.461 60.645 58.100 0.139 0.000 1.123 144 Y CB -0.874 37.693 38.460 0.178 0.000 0.963 144 Y HN 0.106 8.386 8.280 -0.000 0.000 0.493 145 V N -0.641 119.421 119.914 0.247 0.000 2.667 145 V HA -0.217 3.922 4.120 0.032 0.000 0.252 145 V C 2.187 178.251 176.094 -0.049 0.000 1.065 145 V CA 1.926 64.251 62.300 0.041 0.000 1.083 145 V CB -0.657 31.240 31.823 0.124 0.000 0.692 145 V HN 0.635 8.825 8.190 -0.000 0.000 0.468 146 M N -1.058 118.590 119.600 0.080 0.000 2.213 146 M HA -0.120 4.379 4.480 0.032 0.000 0.263 146 M C 2.130 178.459 176.300 0.048 0.000 1.062 146 M CA 2.318 57.679 55.300 0.101 0.000 1.105 146 M CB -0.274 32.380 32.600 0.089 0.000 1.385 146 M HN 0.606 8.896 8.290 -0.000 0.000 0.417 147 Y N 0.793 121.093 120.300 0.001 0.000 2.176 147 Y HA -0.113 4.456 4.550 0.032 0.000 0.291 147 Y C 1.863 177.755 175.900 -0.014 0.000 1.122 147 Y CA 1.628 59.753 58.100 0.041 0.000 1.128 147 Y CB -0.386 38.101 38.460 0.045 0.000 1.005 147 Y HN 0.115 8.395 8.280 -0.000 0.000 0.509 148 L N -0.797 120.395 121.223 -0.051 0.000 2.081 148 L HA -0.297 4.062 4.340 0.032 0.000 0.212 148 L C 2.754 179.539 176.870 -0.141 0.000 1.080 148 L CA 1.789 56.564 54.840 -0.109 0.000 0.754 148 L CB -0.798 41.146 42.059 -0.192 0.000 0.893 148 L HN 0.255 8.485 8.230 -0.000 0.000 0.433 149 S N -0.098 115.492 115.700 -0.184 0.000 2.355 149 S HA -0.087 4.402 4.470 0.032 0.000 0.222 149 S C 1.910 176.395 174.600 -0.192 0.000 1.031 149 S CA 0.994 59.098 58.200 -0.160 0.000 0.993 149 S CB -0.103 63.013 63.200 -0.140 0.000 0.859 149 S HN 0.296 8.606 8.310 -0.000 0.000 0.453 150 L N 0.481 121.528 121.223 -0.293 0.000 2.291 150 L HA 0.003 4.362 4.340 0.032 0.000 0.214 150 L C 2.428 178.785 176.870 -0.854 0.000 1.120 150 L CA 1.115 55.668 54.840 -0.479 0.000 0.799 150 L CB -0.454 41.326 42.059 -0.464 0.000 0.925 150 L HN 0.407 8.637 8.230 -0.000 0.000 0.446 151 H N -0.731 117.789 119.070 -0.916 0.000 2.299 151 H HA -0.220 4.355 4.556 0.032 0.000 0.302 151 H C 2.291 177.394 175.328 -0.375 0.000 1.078 151 H CA 2.113 57.735 56.048 -0.710 0.000 1.323 151 H CB -0.074 29.441 29.762 -0.411 0.000 1.381 151 H HN 0.303 8.583 8.280 -0.000 0.000 0.498 152 H N -0.886 117.950 119.070 -0.391 0.000 2.353 152 H HA -0.149 4.426 4.556 0.031 0.000 0.298 152 H C 2.570 177.634 175.328 -0.440 0.000 1.103 152 H CA 1.904 57.703 56.048 -0.414 0.000 1.293 152 H CB -0.126 29.433 29.762 -0.339 0.000 1.372 152 H HN 0.328 8.608 8.280 -0.000 0.000 0.501 153 S N -0.777 114.791 115.700 -0.219 0.000 2.368 153 S HA -0.149 4.340 4.470 0.032 0.000 0.225 153 S C 2.339 176.797 174.600 -0.236 0.000 1.030 153 S CA 1.017 59.093 58.200 -0.206 0.000 0.999 153 S CB -0.543 62.552 63.200 -0.176 0.000 0.844 153 S HN 0.591 8.901 8.310 -0.000 0.000 0.459 154 A N 0.068 122.704 122.820 -0.307 0.000 1.930 154 A HA 0.009 4.348 4.320 0.032 0.000 0.217 154 A C 2.359 179.818 177.584 -0.208 0.000 1.175 154 A CA 2.045 53.960 52.037 -0.204 0.000 0.627 154 A CB -1.277 17.640 19.000 -0.138 0.000 0.815 154 A HN 0.563 8.713 8.150 -0.000 0.000 0.443 155 T N -0.426 113.916 114.554 -0.354 0.000 2.735 155 T HA -0.015 4.354 4.350 0.032 0.000 0.256 155 T C 1.665 176.182 174.700 -0.305 0.000 1.042 155 T CA 1.260 63.145 62.100 -0.359 0.000 1.147 155 T CB -0.067 68.435 68.868 -0.610 0.000 0.865 155 T HN 0.264 8.504 8.240 -0.000 0.000 0.421 156 K N 0.349 120.492 120.400 -0.428 0.000 2.404 156 K HA 0.308 4.647 4.320 0.032 0.000 0.194 156 K C 1.619 178.123 176.600 -0.160 0.000 1.023 156 K CA 0.657 56.734 56.287 -0.351 0.000 1.094 156 K CB 0.298 32.401 32.500 -0.662 0.000 0.841 156 K HN 0.502 8.752 8.250 -0.000 0.000 0.523 157 G N 1.494 110.214 108.800 -0.132 0.000 2.253 157 G HA2 -0.311 3.668 3.960 0.032 0.000 0.251 157 G HA3 -0.311 3.668 3.960 0.032 0.000 0.251 157 G C 0.014 174.969 174.900 0.090 0.000 0.998 157 G CA 0.761 45.862 45.100 0.001 0.000 0.621 157 G HN 0.438 8.728 8.290 -0.000 0.000 0.524 158 Y N -0.519 119.787 120.300 0.010 0.000 2.553 158 Y HA 0.822 5.392 4.550 0.032 0.000 0.347 158 Y C -2.710 173.243 175.900 0.089 0.000 1.019 158 Y CA -2.839 55.277 58.100 0.026 0.000 1.032 158 Y CB 1.144 39.611 38.460 0.011 0.000 1.284 158 Y HN 0.080 8.360 8.280 -0.000 0.000 0.466 159 P HA 0.102 4.522 4.420 -0.000 0.000 0.270 159 P C -0.549 176.781 177.300 0.050 0.000 1.223 159 P CA -0.156 62.998 63.100 0.090 0.000 0.785 159 P CB 1.593 33.305 31.700 0.021 0.000 0.923 160 K N 0.577 121.009 120.400 0.053 0.000 2.228 160 K HA 0.109 4.448 4.320 0.032 0.000 0.202 160 K C 0.974 177.580 176.600 0.011 0.000 1.051 160 K CA 1.113 57.418 56.287 0.029 0.000 0.960 160 K CB 0.013 32.530 32.500 0.029 0.000 0.743 160 K HN 0.466 8.716 8.250 -0.000 0.000 0.458 161 M N 0.281 119.885 119.600 0.007 0.000 2.395 161 M HA 0.221 4.720 4.480 0.032 0.000 0.307 161 M C -1.012 175.290 176.300 0.003 0.000 1.091 161 M CA -0.437 54.865 55.300 0.004 0.000 0.919 161 M CB 2.602 35.203 32.600 0.002 0.000 1.662 161 M HN -0.165 8.125 8.290 -0.000 0.000 0.440 162 S N 1.236 116.947 115.700 0.017 0.000 2.579 162 S HA 0.996 5.485 4.470 0.032 0.000 0.272 162 S C -0.995 173.656 174.600 0.086 0.000 1.141 162 S CA -0.285 57.944 58.200 0.048 0.000 0.843 162 S CB 2.172 65.394 63.200 0.037 0.000 1.122 162 S HN 0.997 9.307 8.310 -0.000 0.000 0.468 163 G N 1.249 110.139 108.800 0.150 0.000 2.356 163 G HA2 0.523 4.503 3.960 0.032 0.000 0.294 163 G HA3 0.523 4.503 3.960 0.032 0.000 0.294 163 G C -2.421 172.622 174.900 0.237 0.000 1.423 163 G CA -0.573 44.630 45.100 0.173 0.000 0.806 163 G HN 0.622 8.912 8.290 -0.000 0.000 0.527 164 F N -0.038 119.957 119.950 0.075 0.000 2.556 164 F HA 0.817 5.363 4.527 0.031 0.000 0.314 164 F C -0.519 175.279 175.800 -0.004 0.000 1.106 164 F CA -0.951 57.078 58.000 0.049 0.000 0.911 164 F CB 2.002 41.017 39.000 0.026 0.000 1.190 164 F HN 0.375 8.675 8.300 -0.000 0.000 0.448 165 I N 4.634 125.139 120.570 -0.107 0.000 2.466 165 I HA 0.297 4.486 4.170 0.032 0.000 0.289 165 I C -1.053 175.102 176.117 0.062 0.000 1.026 165 I CA -0.553 60.751 61.300 0.007 0.000 1.078 165 I CB 1.957 39.913 38.000 -0.073 0.000 1.249 165 I HN 0.601 8.811 8.210 -0.000 0.000 0.429 166 H N 4.197 123.388 119.070 0.202 0.000 2.472 166 H HA 0.632 5.206 4.556 0.030 0.000 0.338 166 H C -0.671 174.714 175.328 0.094 0.000 1.133 166 H CA -0.610 55.568 56.048 0.218 0.000 1.216 166 H CB 1.997 31.878 29.762 0.197 0.000 1.497 166 H HN 0.359 8.639 8.280 -0.000 0.000 0.500 167 V N 1.750 121.815 119.914 0.252 0.000 2.715 167 V HA 0.583 4.722 4.120 0.032 0.000 0.310 167 V C -2.791 173.368 176.094 0.109 0.000 1.054 167 V CA -2.798 59.582 62.300 0.133 0.000 0.928 167 V CB 1.869 33.746 31.823 0.090 0.000 1.007 167 V HN 0.588 8.778 8.190 -0.000 0.000 0.437 168 P HA 0.189 4.609 4.420 -0.000 0.000 0.274 168 P C -0.875 176.489 177.300 0.106 0.000 1.264 168 P CA 0.067 63.214 63.100 0.078 0.000 0.795 168 P CB 0.110 31.881 31.700 0.118 0.000 1.064 169 Y N -0.327 120.031 120.300 0.096 0.000 2.511 169 Y HA 0.081 4.649 4.550 0.031 0.000 0.347 169 Y C 1.210 177.161 175.900 0.086 0.000 1.257 169 Y CA 0.210 58.363 58.100 0.088 0.000 1.469 169 Y CB -0.428 38.075 38.460 0.073 0.000 1.353 169 Y HN 0.127 8.407 8.280 -0.000 0.000 0.617 170 I N 0.184 120.924 120.570 0.284 0.000 2.577 170 I HA 0.351 4.540 4.170 0.032 0.000 0.300 170 I C -2.173 174.021 176.117 0.128 0.000 0.990 170 I CA -2.474 58.941 61.300 0.192 0.000 1.283 170 I CB 1.273 39.393 38.000 0.201 0.000 1.411 170 I HN 0.320 8.530 8.210 -0.000 0.000 0.515 171 P HA -0.234 4.186 4.420 -0.000 0.000 0.216 171 P C 1.020 178.326 177.300 0.011 0.000 1.157 171 P CA 1.955 65.082 63.100 0.045 0.000 0.880 171 P CB -0.042 31.685 31.700 0.046 0.000 0.791 172 E N -0.327 119.883 120.200 0.017 0.000 2.331 172 E HA -0.225 4.144 4.350 0.032 0.000 0.199 172 E C 1.854 178.436 176.600 -0.031 0.000 1.008 172 E CA 0.830 57.226 56.400 -0.006 0.000 0.843 172 E CB -0.783 28.916 29.700 -0.002 0.000 0.761 172 E HN 0.454 8.814 8.360 -0.000 0.000 0.507 173 Q N 0.031 119.806 119.800 -0.042 0.000 2.269 173 Q HA -0.005 4.354 4.340 0.032 0.000 0.201 173 Q C 1.978 177.829 176.000 -0.247 0.000 0.946 173 Q CA 0.356 56.087 55.803 -0.119 0.000 0.877 173 Q CB 0.229 28.916 28.738 -0.085 0.000 0.963 173 Q HN 0.320 8.590 8.270 -0.000 0.000 0.472 174 I N 1.044 121.482 120.570 -0.221 0.000 2.493 174 I HA -0.187 4.002 4.170 0.032 0.000 0.254 174 I C 2.239 178.276 176.117 -0.133 0.000 1.160 174 I CA 1.004 62.172 61.300 -0.220 0.000 1.445 174 I CB -0.891 37.039 38.000 -0.117 0.000 1.086 174 I HN 0.297 8.507 8.210 -0.000 0.000 0.433 175 I N 0.213 120.730 120.570 -0.090 0.000 2.928 175 I HA -0.153 4.036 4.170 0.032 0.000 0.266 175 I C 1.505 177.589 176.117 -0.056 0.000 1.234 175 I CA 1.391 62.657 61.300 -0.057 0.000 1.483 175 I CB -0.807 37.172 38.000 -0.036 0.000 1.097 175 I HN 0.205 8.415 8.210 -0.000 0.000 0.455 176 D N -0.360 119.999 120.400 -0.067 0.000 2.350 176 D HA -0.037 4.623 4.640 0.032 0.000 0.213 176 D C 1.606 177.873 176.300 -0.055 0.000 1.031 176 D CA 0.108 54.078 54.000 -0.050 0.000 0.861 176 D CB -0.028 40.748 40.800 -0.040 0.000 0.926 176 D HN 0.151 8.521 8.370 -0.000 0.000 0.520 177 K N 0.712 121.063 120.400 -0.082 0.000 2.186 177 K HA 0.101 4.440 4.320 0.032 0.000 0.202 177 K C 2.013 178.586 176.600 -0.044 0.000 1.052 177 K CA 0.287 56.531 56.287 -0.071 0.000 0.965 177 K CB -0.203 32.230 32.500 -0.111 0.000 0.746 177 K HN 0.332 8.582 8.250 -0.000 0.000 0.457 178 I N 1.243 121.787 120.570 -0.044 0.000 2.194 178 I HA -0.251 3.939 4.170 0.032 0.000 0.246 178 I C 2.398 178.503 176.117 -0.019 0.000 1.093 178 I CA 1.569 62.853 61.300 -0.027 0.000 1.355 178 I CB -0.831 37.153 38.000 -0.026 0.000 1.046 178 I HN 0.225 8.435 8.210 -0.000 0.000 0.413 179 G N 1.474 110.262 108.800 -0.021 0.000 2.476 179 G HA2 -0.236 3.743 3.960 0.032 0.000 0.218 179 G HA3 -0.236 3.743 3.960 0.032 0.000 0.218 179 G C 1.323 176.217 174.900 -0.011 0.000 1.164 179 G CA 0.633 45.724 45.100 -0.014 0.000 0.768 179 G HN 0.256 8.546 8.290 -0.000 0.000 0.560 180 K N 1.130 121.523 120.400 -0.011 0.000 2.790 180 K HA 0.201 4.540 4.320 0.032 0.000 0.229 180 K C 1.297 177.895 176.600 -0.004 0.000 1.040 180 K CA 0.281 56.565 56.287 -0.006 0.000 1.211 180 K CB -0.512 31.985 32.500 -0.004 0.000 1.002 180 K HN 0.429 8.679 8.250 -0.000 0.000 0.479 181 G N 1.316 110.113 108.800 -0.005 0.000 2.249 181 G HA2 -0.249 3.730 3.960 0.032 0.000 0.273 181 G HA3 -0.249 3.730 3.960 0.032 0.000 0.273 181 G C -0.232 174.667 174.900 -0.001 0.000 1.036 181 G CA 0.229 45.328 45.100 -0.003 0.000 0.824 181 G HN 0.342 8.632 8.290 -0.000 0.000 0.504 182 Q N -1.286 118.512 119.800 -0.004 0.000 2.345 182 Q HA 0.628 4.988 4.340 0.032 0.000 0.275 182 Q C -0.829 175.167 176.000 -0.007 0.000 1.063 182 Q CA -0.767 55.037 55.803 0.001 0.000 0.819 182 Q CB 2.265 31.009 28.738 0.011 0.000 1.356 182 Q HN 0.549 8.819 8.270 -0.000 0.000 0.418 183 V N 5.700 125.616 119.914 0.003 0.000 2.266 183 V HA 0.441 4.580 4.120 0.032 0.000 0.266 183 V C -2.226 173.884 176.094 0.027 0.000 1.036 183 V CA -1.658 60.643 62.300 0.001 0.000 0.828 183 V CB 1.348 33.171 31.823 0.001 0.000 1.081 183 V HN 0.613 8.803 8.190 -0.000 0.000 0.449 184 P HA 0.345 4.765 4.420 -0.000 0.000 0.272 184 P C -2.722 174.655 177.300 0.129 0.000 1.223 184 P CA -1.180 61.990 63.100 0.118 0.000 0.784 184 P CB 0.079 31.912 31.700 0.222 0.000 0.923 185 P HA 0.112 4.532 4.420 -0.000 0.000 0.270 185 P C -0.237 177.173 177.300 0.184 0.000 1.227 185 P CA 0.170 63.350 63.100 0.133 0.000 0.788 185 P CB 0.288 32.056 31.700 0.113 0.000 0.926 186 S N 0.117 115.903 115.700 0.143 0.000 2.625 186 S HA 0.794 5.283 4.470 0.032 0.000 0.271 186 S C -1.170 173.503 174.600 0.123 0.000 1.161 186 S CA -0.851 57.447 58.200 0.163 0.000 0.820 186 S CB 1.443 64.722 63.200 0.132 0.000 1.137 186 S HN 0.466 8.776 8.310 -0.000 0.000 0.470 187 M N 1.667 121.341 119.600 0.125 0.000 2.446 187 M HA 0.542 5.042 4.480 0.032 0.000 0.294 187 M C -0.868 175.489 176.300 0.095 0.000 1.158 187 M CA -0.741 54.615 55.300 0.094 0.000 0.899 187 M CB 1.786 34.437 32.600 0.084 0.000 1.687 187 M HN 1.185 9.475 8.290 -0.000 0.000 0.455 188 C N 2.862 122.209 119.300 0.079 0.000 2.601 188 C HA 0.240 4.719 4.460 0.032 0.000 0.409 188 C C 1.458 176.509 174.990 0.102 0.000 1.293 188 C CA -0.453 58.625 59.018 0.100 0.000 2.101 188 C CB -0.329 27.462 27.740 0.085 0.000 2.639 188 C HN 1.046 9.276 8.230 -0.000 0.000 0.592 189 Y N 2.178 122.501 120.300 0.038 0.000 2.132 189 Y HA -0.239 4.329 4.550 0.031 0.000 0.280 189 Y C 2.168 178.083 175.900 0.024 0.000 1.193 189 Y CA 2.797 60.916 58.100 0.032 0.000 1.157 189 Y CB -0.200 38.275 38.460 0.025 0.000 0.966 189 Y HN 0.844 9.124 8.280 -0.000 0.000 0.511 190 E N -0.403 119.833 120.200 0.060 0.000 2.153 190 E HA -0.225 4.144 4.350 0.032 0.000 0.194 190 E C 2.273 178.821 176.600 -0.087 0.000 0.988 190 E CA 1.579 57.972 56.400 -0.012 0.000 0.811 190 E CB -0.393 29.350 29.700 0.072 0.000 0.746 190 E HN 0.642 9.002 8.360 -0.000 0.000 0.466 191 M N 0.118 119.683 119.600 -0.059 0.000 2.288 191 M HA -0.103 4.396 4.480 0.032 0.000 0.266 191 M C 1.518 177.764 176.300 -0.090 0.000 1.072 191 M CA 1.281 56.553 55.300 -0.047 0.000 1.132 191 M CB 0.218 32.814 32.600 -0.006 0.000 1.386 191 M HN 0.034 8.324 8.290 -0.000 0.000 0.432 192 E N 0.282 120.389 120.200 -0.154 0.000 2.028 192 E HA -0.238 4.131 4.350 0.032 0.000 0.191 192 E C 1.900 178.354 176.600 -0.243 0.000 0.988 192 E CA 1.401 57.692 56.400 -0.183 0.000 0.799 192 E CB -0.374 29.196 29.700 -0.217 0.000 0.755 192 E HN 0.385 8.745 8.360 -0.000 0.000 0.447 193 L N 1.835 122.810 121.223 -0.413 0.000 2.012 193 L HA -0.229 4.131 4.340 0.032 0.000 0.210 193 L C 2.345 179.118 176.870 -0.162 0.000 1.073 193 L CA 2.045 56.697 54.840 -0.314 0.000 0.748 193 L CB -0.422 41.398 42.059 -0.398 0.000 0.891 193 L HN 0.020 8.250 8.230 -0.000 0.000 0.431 194 E N -0.145 119.978 120.200 -0.128 0.000 2.118 194 E HA -0.198 4.171 4.350 0.032 0.000 0.195 194 E C 2.015 178.580 176.600 -0.059 0.000 0.992 194 E CA 1.548 57.906 56.400 -0.071 0.000 0.804 194 E CB -0.362 29.309 29.700 -0.048 0.000 0.741 194 E HN 0.566 8.926 8.360 -0.000 0.000 0.458 195 A N 0.368 123.149 122.820 -0.065 0.000 1.873 195 A HA -0.109 4.230 4.320 0.032 0.000 0.215 195 A C 2.493 180.043 177.584 -0.057 0.000 1.186 195 A CA 1.762 53.772 52.037 -0.046 0.000 0.616 195 A CB -1.006 17.972 19.000 -0.037 0.000 0.823 195 A HN 0.386 8.536 8.150 -0.000 0.000 0.442 196 V N -0.593 119.274 119.914 -0.078 0.000 2.871 196 V HA -0.109 4.030 4.120 0.032 0.000 0.256 196 V C 1.909 177.961 176.094 -0.071 0.000 1.082 196 V CA 2.264 64.516 62.300 -0.080 0.000 1.105 196 V CB -0.617 31.147 31.823 -0.099 0.000 0.713 196 V HN 0.539 8.729 8.190 -0.000 0.000 0.473 197 K N 0.116 120.476 120.400 -0.066 0.000 2.057 197 K HA -0.036 4.303 4.320 0.032 0.000 0.206 197 K C 2.100 178.674 176.600 -0.043 0.000 1.050 197 K CA 1.568 57.823 56.287 -0.053 0.000 0.935 197 K CB -0.358 32.114 32.500 -0.047 0.000 0.715 197 K HN 0.482 8.732 8.250 -0.000 0.000 0.439 198 V N 1.523 121.414 119.914 -0.038 0.000 2.594 198 V HA -0.258 3.881 4.120 0.032 0.000 0.253 198 V C 2.296 178.371 176.094 -0.033 0.000 1.069 198 V CA 1.945 64.227 62.300 -0.029 0.000 1.082 198 V CB -0.670 31.140 31.823 -0.022 0.000 0.680 198 V HN 0.344 8.534 8.190 -0.000 0.000 0.469 199 A N 0.190 122.986 122.820 -0.040 0.000 1.855 199 A HA -0.135 4.204 4.320 0.032 0.000 0.215 199 A C 2.169 179.729 177.584 -0.041 0.000 1.191 199 A CA 1.736 53.748 52.037 -0.042 0.000 0.613 199 A CB -0.483 18.486 19.000 -0.052 0.000 0.829 199 A HN 0.468 8.618 8.150 -0.000 0.000 0.442 200 I N -0.166 120.376 120.570 -0.047 0.000 2.151 200 I HA -0.320 3.869 4.170 0.032 0.000 0.243 200 I C 2.517 178.615 176.117 -0.032 0.000 1.080 200 I CA 1.942 63.217 61.300 -0.042 0.000 1.339 200 I CB -0.581 37.391 38.000 -0.046 0.000 1.039 200 I HN 0.456 8.666 8.210 -0.000 0.000 0.409 201 E N 0.290 120.472 120.200 -0.030 0.000 2.077 201 E HA -0.214 4.155 4.350 0.032 0.000 0.193 201 E C 2.230 178.817 176.600 -0.021 0.000 0.989 201 E CA 1.752 58.138 56.400 -0.024 0.000 0.800 201 E CB -0.205 29.482 29.700 -0.022 0.000 0.746 201 E HN 0.516 8.876 8.360 -0.000 0.000 0.452 202 V N -0.711 119.189 119.914 -0.023 0.000 3.129 202 V HA 0.125 4.265 4.120 0.032 0.000 0.259 202 V C 1.967 178.050 176.094 -0.019 0.000 1.116 202 V CA 1.244 63.532 62.300 -0.020 0.000 1.127 202 V CB 0.093 31.903 31.823 -0.022 0.000 0.742 202 V HN 0.209 8.399 8.190 -0.000 0.000 0.474 203 A N 0.893 123.701 122.820 -0.021 0.000 1.873 203 A HA -0.016 4.323 4.320 0.032 0.000 0.215 203 A C 2.164 179.740 177.584 -0.014 0.000 1.186 203 A CA 2.044 54.070 52.037 -0.018 0.000 0.616 203 A CB -0.695 18.291 19.000 -0.023 0.000 0.823 203 A HN 0.572 8.722 8.150 -0.000 0.000 0.442 204 L N -0.638 120.576 121.223 -0.015 0.000 2.042 204 L HA -0.231 4.128 4.340 0.032 0.000 0.210 204 L C 2.613 179.477 176.870 -0.009 0.000 1.076 204 L CA 1.911 56.745 54.840 -0.011 0.000 0.749 204 L CB -0.471 41.580 42.059 -0.012 0.000 0.893 204 L HN 0.601 8.831 8.230 -0.000 0.000 0.432 205 E N -0.245 119.949 120.200 -0.011 0.000 2.409 205 E HA -0.231 4.138 4.350 0.032 0.000 0.198 205 E C 1.752 178.347 176.600 -0.008 0.000 1.024 205 E CA 0.731 57.125 56.400 -0.009 0.000 0.861 205 E CB 0.312 30.006 29.700 -0.010 0.000 0.788 205 E HN 0.358 8.718 8.360 -0.000 0.000 0.521 206 E N 0.019 120.214 120.200 -0.008 0.000 2.162 206 E HA 0.097 4.466 4.350 0.032 0.000 0.193 206 E C 0.625 177.223 176.600 -0.004 0.000 0.953 206 E CA 0.056 56.452 56.400 -0.006 0.000 0.849 206 E CB 0.186 29.882 29.700 -0.007 0.000 0.810 206 E HN 0.124 8.484 8.360 -0.000 0.000 0.470 207 L N 2.789 124.010 121.223 -0.003 0.000 2.511 207 L HA 0.155 4.514 4.340 0.032 0.000 0.239 207 L C -0.701 176.169 176.870 -0.001 0.000 1.400 207 L CA 0.352 55.191 54.840 -0.001 0.000 1.226 207 L CB -1.544 40.515 42.059 -0.000 0.000 1.475 207 L HN 0.245 8.475 8.230 -0.000 0.000 0.428 208 L N 0.000 121.222 121.223 -0.001 0.000 2.949 208 L HA 0.000 4.359 4.340 0.032 0.000 0.249 208 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 208 L CB 0.000 42.059 42.059 0.000 0.000 0.961 208 L HN 0.000 8.230 8.230 -0.000 0.000 0.502