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 2gb8_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHISGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE AGYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL 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 T HA 0.000 4.341 4.350 -0.014 0.000 0.228 1 T C 0.000 174.688 174.700 -0.020 0.000 1.109 1 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 1 T CB 0.000 68.859 68.868 -0.016 0.000 0.612 2 T N 1.552 116.096 114.554 -0.017 0.000 0.541 2 T HA -0.162 4.180 4.350 -0.014 0.000 0.774 2 T C -2.253 172.431 174.700 -0.027 0.000 0.992 2 T CA -0.086 62.003 62.100 -0.019 0.000 4.077 2 T CB 0.904 69.760 68.868 -0.019 0.000 2.303 2 T HN -0.258 7.974 8.240 -0.014 0.000 0.398 3 P HA -0.009 4.392 4.420 -0.033 0.000 0.275 3 P C -1.204 176.051 177.300 -0.074 0.000 1.270 3 P CA -0.198 62.880 63.100 -0.038 0.000 0.791 3 P CB 0.751 32.438 31.700 -0.022 0.000 1.089 4 L N -0.987 120.170 121.223 -0.110 0.000 2.452 4 L HA 0.000 4.231 4.340 -0.183 0.000 0.267 4 L C 0.366 177.026 176.870 -0.349 0.000 1.188 4 L CA 0.212 54.911 54.840 -0.235 0.000 0.821 4 L CB 0.177 42.064 42.059 -0.287 0.000 1.102 4 L HN -0.274 7.913 8.230 -0.072 0.000 0.470 5 V N 0.752 120.424 119.914 -0.403 0.000 2.448 5 V HA 0.076 3.998 4.120 -0.329 0.000 0.295 5 V C -1.099 174.674 176.094 -0.535 0.000 1.025 5 V CA -0.469 61.614 62.300 -0.362 0.000 0.859 5 V CB 1.333 33.045 31.823 -0.184 0.000 0.988 5 V HN -0.159 7.827 8.190 -0.340 0.000 0.431 6 H N 8.555 127.422 119.070 -0.338 0.000 2.725 6 H HA 0.294 4.422 4.556 -0.714 0.000 0.283 6 H C -1.595 173.384 175.328 -0.582 0.000 1.110 6 H CA -1.606 54.003 56.048 -0.733 0.000 1.289 6 H CB -0.422 28.634 29.762 -1.176 0.000 1.400 6 H HN 0.577 8.640 8.280 -0.363 0.000 0.493 7 V N 5.245 125.025 119.914 -0.225 0.000 2.465 7 V HA 0.618 4.904 4.120 -0.224 -0.301 0.279 7 V C -0.393 175.680 176.094 -0.035 0.000 1.045 7 V CA -0.934 61.279 62.300 -0.145 0.000 0.938 7 V CB 1.232 33.018 31.823 -0.062 0.000 0.986 7 V HN 0.405 8.510 8.190 -0.142 0.000 0.467 8 A N 8.038 130.720 122.820 -0.231 0.000 2.450 8 A HA -0.087 4.390 4.320 0.032 -0.137 0.255 8 A C -1.441 176.116 177.584 -0.045 0.000 1.096 8 A CA -0.019 51.886 52.037 -0.220 0.000 0.778 8 A CB 0.774 19.251 19.000 -0.871 0.000 1.031 8 A HN 0.466 8.366 8.150 -0.417 0.000 0.494 9 S N 3.380 119.106 115.700 0.045 0.000 2.659 9 S HA 0.263 4.773 4.470 0.066 0.000 0.312 9 S C 0.138 174.807 174.600 0.114 0.000 1.114 9 S CA -1.421 56.825 58.200 0.077 0.000 1.063 9 S CB 1.077 64.330 63.200 0.089 0.000 0.996 9 S HN 0.420 8.664 8.310 0.056 0.100 0.478 10 V N 7.647 127.645 119.914 0.141 0.000 2.901 10 V HA -0.244 4.030 4.120 0.257 0.000 0.307 10 V C -0.523 175.701 176.094 0.217 0.000 1.084 10 V CA 1.043 63.472 62.300 0.214 0.000 1.184 10 V CB 0.536 32.494 31.823 0.225 0.000 0.941 10 V HN 0.497 8.761 8.190 0.123 0.000 0.493 11 E N 5.149 125.541 120.200 0.320 0.000 2.384 11 E HA -0.142 4.347 4.350 0.232 0.000 0.266 11 E C -0.311 176.364 176.600 0.126 0.000 1.012 11 E CA 0.617 57.185 56.400 0.280 0.000 0.901 11 E CB 0.342 30.349 29.700 0.511 0.000 0.967 11 E HN 0.193 8.827 8.360 0.457 0.000 0.435 12 K N 5.746 126.193 120.400 0.079 0.000 2.365 12 K HA -0.295 4.045 4.320 0.034 0.000 0.268 12 K C 0.703 177.271 176.600 -0.055 0.000 1.173 12 K CA 1.212 57.509 56.287 0.017 0.000 1.204 12 K CB -0.223 32.286 32.500 0.014 0.000 0.832 12 K HN 0.607 8.922 8.250 0.108 0.000 0.481 13 G N 3.481 112.264 108.800 -0.028 0.000 2.352 13 G HA2 -0.353 3.603 3.960 -0.006 0.000 0.283 13 G HA3 -0.353 3.571 3.960 -0.060 0.000 0.283 13 G C -0.570 174.245 174.900 -0.142 0.000 0.946 13 G CA 0.624 45.693 45.100 -0.052 0.000 1.317 13 G HN 0.467 8.765 8.290 0.015 0.000 0.478 14 R N 1.758 122.187 120.500 -0.118 0.000 2.943 14 R HA 0.221 4.401 4.340 -0.414 -0.088 0.246 14 R C -1.785 174.491 176.300 -0.041 0.000 1.201 14 R CA -2.423 53.499 56.100 -0.297 0.000 1.056 14 R CB 3.803 33.763 30.300 -0.566 0.000 1.243 14 R HN -0.485 7.787 8.270 0.003 0.000 0.498 15 S N -3.788 111.894 115.700 -0.031 0.000 2.703 15 S HA 0.230 4.836 4.470 0.226 0.000 0.273 15 S C -0.730 173.941 174.600 0.117 0.000 1.178 15 S CA -0.877 57.397 58.200 0.124 0.000 0.838 15 S CB 1.140 64.388 63.200 0.081 0.000 1.178 15 S HN -0.180 8.100 8.310 -0.218 -0.101 0.494 16 Y N 2.215 122.457 120.300 -0.097 0.000 1.993 16 Y HA -0.525 3.640 4.550 -0.641 0.000 0.267 16 Y C 1.575 177.499 175.900 0.040 0.000 1.155 16 Y CA 3.862 61.809 58.100 -0.254 0.000 1.105 16 Y CB -0.319 38.044 38.460 -0.161 0.000 0.960 16 Y HN 0.387 8.793 8.280 0.211 0.000 0.486 17 E N -3.274 116.942 120.200 0.027 0.000 2.136 17 E HA -0.484 3.808 4.350 -0.096 0.000 0.208 17 E C 2.333 178.843 176.600 -0.150 0.000 1.035 17 E CA 4.137 60.510 56.400 -0.044 0.000 0.838 17 E CB -0.900 28.838 29.700 0.063 0.000 0.748 17 E HN 0.360 8.907 8.360 0.311 0.000 0.459 18 D N -1.015 119.271 120.400 -0.191 0.000 2.144 18 D HA -0.237 4.246 4.640 -0.262 0.000 0.199 18 D C 2.395 178.485 176.300 -0.349 0.000 0.984 18 D CA 3.624 57.420 54.000 -0.339 0.000 0.834 18 D CB -0.110 40.305 40.800 -0.641 0.000 0.955 18 D HN -0.578 7.618 8.370 -0.144 0.087 0.465 19 F N -2.067 117.808 119.950 -0.125 0.000 2.512 19 F HA -0.088 4.338 4.527 -0.169 0.000 0.296 19 F C 1.603 177.168 175.800 -0.392 0.000 1.110 19 F CA 2.384 60.285 58.000 -0.166 0.000 1.446 19 F CB 0.204 39.222 39.000 0.031 0.000 1.092 19 F HN 0.215 8.341 8.300 -0.066 0.134 0.554 20 Q N 0.008 119.684 119.800 -0.206 0.000 2.369 20 Q HA -0.305 3.885 4.340 -0.250 0.000 0.206 20 Q C 1.602 177.515 176.000 -0.145 0.000 0.963 20 Q CA 2.873 58.547 55.803 -0.215 0.000 0.894 20 Q CB -0.657 27.913 28.738 -0.279 0.000 0.965 20 Q HN 0.182 8.172 8.270 -0.274 0.115 0.475 21 K N -0.122 120.160 120.400 -0.197 0.000 2.076 21 K HA -0.201 4.091 4.320 -0.047 0.000 0.204 21 K C 2.220 178.662 176.600 -0.263 0.000 1.051 21 K CA 3.418 59.608 56.287 -0.161 0.000 0.949 21 K CB -0.134 32.284 32.500 -0.136 0.000 0.726 21 K HN -0.523 7.529 8.250 -0.235 0.057 0.443 22 V N -0.071 119.523 119.914 -0.535 0.000 2.407 22 V HA -0.407 3.393 4.120 -0.534 0.000 0.248 22 V C 1.569 177.499 176.094 -0.274 0.000 1.055 22 V CA 3.975 65.934 62.300 -0.569 0.000 1.049 22 V CB -0.580 30.837 31.823 -0.677 0.000 0.662 22 V HN -0.583 7.206 8.190 -0.524 0.087 0.455 23 Y N 0.999 121.047 120.300 -0.420 0.000 2.114 23 Y HA -0.377 3.939 4.550 -0.391 0.000 0.284 23 Y C 1.927 177.715 175.900 -0.187 0.000 1.143 23 Y CA 3.709 61.582 58.100 -0.378 0.000 1.135 23 Y CB -0.051 38.090 38.460 -0.532 0.000 0.980 23 Y HN -0.627 7.478 8.280 -0.248 0.027 0.499 24 N N -0.597 118.198 118.700 0.159 0.000 2.069 24 N HA -0.511 4.343 4.740 0.190 0.000 0.191 24 N C 1.803 177.328 175.510 0.024 0.000 1.031 24 N CA 4.241 57.366 53.050 0.126 0.000 0.852 24 N CB -0.021 38.532 38.487 0.110 0.000 1.018 24 N HN -0.421 8.046 8.380 0.144 0.000 0.423 25 A N 0.492 123.327 122.820 0.026 0.000 1.865 25 A HA -0.370 3.957 4.320 0.013 0.000 0.217 25 A C 1.754 179.295 177.584 -0.071 0.000 1.191 25 A CA 3.225 55.274 52.037 0.019 0.000 0.623 25 A CB -0.411 18.682 19.000 0.156 0.000 0.826 25 A HN -0.151 8.022 8.150 0.037 0.000 0.444 26 I N -1.276 119.218 120.570 -0.126 0.000 2.142 26 I HA -0.645 3.457 4.170 -0.112 0.000 0.240 26 I C 1.924 177.976 176.117 -0.109 0.000 1.078 26 I CA 4.153 65.371 61.300 -0.137 0.000 1.343 26 I CB -0.031 37.834 38.000 -0.225 0.000 1.046 26 I HN -0.088 8.040 8.210 -0.135 0.000 0.405 27 A N -0.527 122.149 122.820 -0.240 0.000 1.917 27 A HA -0.415 3.781 4.320 -0.206 0.000 0.219 27 A C 2.207 179.773 177.584 -0.029 0.000 1.182 27 A CA 3.177 55.099 52.037 -0.191 0.000 0.633 27 A CB -0.608 18.270 19.000 -0.203 0.000 0.819 27 A HN 0.633 8.443 8.150 -0.325 0.145 0.448 28 L N -1.975 119.246 121.223 -0.004 0.000 2.056 28 L HA -0.395 3.967 4.340 0.038 0.000 0.207 28 L C 2.183 179.079 176.870 0.043 0.000 1.078 28 L CA 2.931 57.785 54.840 0.024 0.000 0.749 28 L CB -0.170 41.897 42.059 0.013 0.000 0.901 28 L HN 0.155 8.354 8.230 -0.025 0.016 0.433 29 K N -0.705 119.714 120.400 0.031 0.000 2.283 29 K HA -0.293 4.050 4.320 0.038 0.000 0.202 29 K C 2.199 178.996 176.600 0.329 0.000 1.048 29 K CA 3.259 59.589 56.287 0.072 0.000 0.948 29 K CB -0.249 32.124 32.500 -0.212 0.000 0.742 29 K HN -0.283 7.950 8.250 -0.008 0.013 0.458 30 L N -1.173 120.224 121.223 0.290 0.000 2.131 30 L HA -0.222 4.242 4.340 0.208 0.000 0.206 30 L C 0.864 177.807 176.870 0.123 0.000 1.087 30 L CA 2.819 57.772 54.840 0.188 0.000 0.767 30 L CB -0.011 42.081 42.059 0.055 0.000 0.917 30 L HN -0.487 7.703 8.230 0.186 0.152 0.441 31 R N -2.279 118.278 120.500 0.095 0.000 2.075 31 R HA -0.346 4.034 4.340 0.067 0.000 0.232 31 R C 2.726 179.071 176.300 0.074 0.000 1.126 31 R CA 3.157 59.300 56.100 0.073 0.000 0.963 31 R CB 0.004 30.341 30.300 0.061 0.000 0.858 31 R HN -0.819 7.382 8.270 0.090 0.122 0.435 32 E N -1.315 118.935 120.200 0.082 0.000 2.028 32 E HA -0.165 4.218 4.350 0.056 0.000 0.190 32 E C 2.053 178.708 176.600 0.091 0.000 0.984 32 E CA 2.607 59.050 56.400 0.071 0.000 0.800 32 E CB 0.357 30.083 29.700 0.044 0.000 0.758 32 E HN 0.055 8.281 8.360 0.087 0.187 0.448 33 D N 0.618 121.121 120.400 0.171 0.000 3.038 33 D HA 0.147 4.863 4.640 0.128 0.000 0.243 33 D C -0.202 176.185 176.300 0.146 0.000 1.245 33 D CA 0.414 54.541 54.000 0.212 0.000 0.871 33 D CB -1.334 39.704 40.800 0.396 0.000 1.089 33 D HN 0.024 8.427 8.370 0.230 0.105 0.464 34 D N -2.214 118.182 120.400 -0.007 0.000 2.392 34 D HA -0.292 4.303 4.640 -0.076 0.000 0.228 34 D C 0.900 176.889 176.300 -0.518 0.000 1.003 34 D CA 2.255 56.162 54.000 -0.156 0.000 0.917 34 D CB 0.180 40.918 40.800 -0.104 0.000 0.890 34 D HN -0.449 7.842 8.370 0.002 0.080 0.532 35 E N -0.790 119.109 120.200 -0.502 0.000 2.371 35 E HA -0.136 2.982 4.350 -2.054 0.000 0.194 35 E C 0.332 176.725 176.600 -0.345 0.000 1.012 35 E CA 0.565 56.483 56.400 -0.803 0.000 0.860 35 E CB 0.100 29.603 29.700 -0.328 0.000 0.811 35 E HN -0.031 8.108 8.360 -0.225 0.086 0.502 36 Y N 2.852 122.944 120.300 -0.348 0.000 2.904 36 Y HA -0.387 4.005 4.550 -0.264 0.000 0.336 36 Y C -1.677 174.047 175.900 -0.292 0.000 1.263 36 Y CA 1.772 59.630 58.100 -0.403 0.000 1.547 36 Y CB 0.364 38.228 38.460 -0.993 0.000 1.272 36 Y HN -0.982 7.209 8.280 -0.081 0.040 0.596 37 D N 6.857 126.652 120.400 -1.009 0.000 2.904 37 D HA -0.447 3.819 4.640 -0.623 0.000 0.231 37 D C -0.518 175.631 176.300 -0.251 0.000 1.185 37 D CA 1.491 55.057 54.000 -0.722 0.000 0.783 37 D CB -1.057 39.233 40.800 -0.849 0.000 0.961 37 D HN 0.547 8.228 8.370 -1.148 0.000 0.409 38 N N -3.963 114.685 118.700 -0.086 0.000 2.708 38 N HA -0.433 4.417 4.740 0.183 0.000 0.249 38 N C -0.664 174.995 175.510 0.250 0.000 1.097 38 N CA 1.619 54.725 53.050 0.094 0.000 0.710 38 N CB -1.168 37.334 38.487 0.026 0.000 1.032 38 N HN 0.481 8.795 8.380 -0.110 0.000 0.551 39 Y N -9.810 110.446 120.300 -0.073 0.000 3.994 39 Y HA -0.502 4.275 4.550 -0.016 -0.237 0.236 39 Y C 0.686 176.570 175.900 -0.027 0.000 1.272 39 Y CA 1.617 59.699 58.100 -0.030 0.000 1.940 39 Y CB -2.902 35.556 38.460 -0.005 0.000 1.599 39 Y HN -0.279 7.906 8.280 0.052 0.126 0.686 40 I N -3.178 117.398 120.570 0.009 0.000 2.731 40 I HA -0.095 4.114 4.170 0.065 0.000 0.260 40 I C 0.403 176.515 176.117 -0.009 0.000 1.138 40 I CA 2.038 63.350 61.300 0.020 0.000 1.461 40 I CB 1.113 39.115 38.000 0.003 0.000 1.128 40 I HN 0.085 8.152 8.210 -0.076 0.098 0.438 41 G N -2.958 105.798 108.800 -0.073 0.000 2.566 41 G HA2 -0.231 3.655 3.960 -0.123 0.000 0.599 41 G HA3 -0.231 3.703 3.960 -0.043 0.000 0.599 41 G C -0.897 173.915 174.900 -0.147 0.000 1.292 41 G CA -0.746 44.298 45.100 -0.093 0.000 0.922 41 G HN -0.570 7.647 8.290 -0.121 0.000 0.514 42 Y N 0.298 120.500 120.300 -0.163 0.000 2.466 42 Y HA 0.027 4.435 4.550 -0.236 0.000 0.272 42 Y C 1.283 177.004 175.900 -0.299 0.000 1.169 42 Y CA 0.757 58.623 58.100 -0.389 0.000 1.285 42 Y CB -0.254 37.549 38.460 -1.095 0.000 1.078 42 Y HN 0.392 8.648 8.280 -0.040 0.000 0.523 43 G N 1.037 109.795 108.800 -0.069 0.000 2.701 43 G HA2 -0.324 3.582 3.960 -0.089 0.000 0.215 43 G HA3 -0.324 3.610 3.960 -0.043 0.000 0.215 43 G C -1.061 173.809 174.900 -0.050 0.000 1.297 43 G CA 2.355 47.416 45.100 -0.064 0.000 0.807 43 G HN 0.495 8.678 8.290 -0.056 0.074 0.608 44 P HA -0.301 4.096 4.420 -0.039 0.000 0.215 44 P C 1.366 178.674 177.300 0.012 0.000 1.163 44 P CA 3.094 66.194 63.100 0.001 0.000 0.894 44 P CB -0.444 31.291 31.700 0.058 0.000 0.791 45 V N -2.557 117.383 119.914 0.044 0.000 2.392 45 V HA -0.403 3.740 4.120 0.039 0.000 0.249 45 V C 1.856 177.947 176.094 -0.004 0.000 1.059 45 V CA 3.289 65.614 62.300 0.041 0.000 1.051 45 V CB -0.102 31.774 31.823 0.089 0.000 0.658 45 V HN -0.328 7.900 8.190 0.064 0.000 0.455 46 L N -2.529 118.679 121.223 -0.025 0.000 2.141 46 L HA -0.379 3.956 4.340 -0.007 0.000 0.209 46 L C 2.207 179.085 176.870 0.013 0.000 1.094 46 L CA 2.847 57.675 54.840 -0.020 0.000 0.763 46 L CB -0.268 41.756 42.059 -0.058 0.000 0.908 46 L HN -0.548 7.659 8.230 -0.040 0.000 0.437 47 V N -2.268 117.638 119.914 -0.012 0.000 2.548 47 V HA -0.434 3.748 4.120 0.103 0.000 0.249 47 V C 1.306 177.459 176.094 0.098 0.000 1.055 47 V CA 3.614 65.917 62.300 0.006 0.000 1.065 47 V CB -0.168 31.555 31.823 -0.168 0.000 0.681 47 V HN -0.107 7.953 8.190 -0.039 0.107 0.462 48 R N -0.103 120.422 120.500 0.041 0.000 2.092 48 R HA -0.300 4.139 4.340 0.166 0.000 0.231 48 R C 2.046 178.295 176.300 -0.085 0.000 1.119 48 R CA 3.496 59.607 56.100 0.019 0.000 0.970 48 R CB -0.014 30.246 30.300 -0.066 0.000 0.864 48 R HN 0.029 8.301 8.270 0.003 0.000 0.440 49 L N -1.355 119.818 121.223 -0.083 0.000 2.093 49 L HA -0.198 3.950 4.340 -0.319 0.000 0.208 49 L C 0.898 177.740 176.870 -0.046 0.000 1.085 49 L CA 2.875 57.607 54.840 -0.179 0.000 0.755 49 L CB -0.225 41.724 42.059 -0.184 0.000 0.904 49 L HN 0.073 8.179 8.230 -0.042 0.099 0.435 50 A N -1.238 121.665 122.820 0.138 0.000 1.883 50 A HA -0.328 4.114 4.320 0.204 0.000 0.217 50 A C 1.718 179.495 177.584 0.321 0.000 1.186 50 A CA 3.013 55.212 52.037 0.270 0.000 0.624 50 A CB -0.875 18.410 19.000 0.475 0.000 0.822 50 A HN -0.495 7.643 8.150 0.141 0.096 0.444 51 W N -0.844 120.613 121.300 0.262 0.000 2.355 51 W HA -0.500 4.348 4.660 0.314 0.000 0.309 51 W C 1.110 177.819 176.519 0.316 0.000 1.206 51 W CA 2.836 60.372 57.345 0.319 0.000 1.284 51 W CB -0.059 29.609 29.460 0.347 0.000 1.145 51 W HN -0.539 7.952 8.180 0.525 0.004 0.502 52 H N -4.949 113.835 119.070 -0.477 0.000 2.489 52 H HA -0.271 3.671 4.556 -1.023 0.000 0.293 52 H C 1.388 176.464 175.328 -0.419 0.000 1.066 52 H CA 2.178 57.836 56.048 -0.650 0.000 1.305 52 H CB 0.784 30.269 29.762 -0.462 0.000 1.386 52 H HN -0.351 7.916 8.280 -0.022 0.000 0.551 53 I N -9.014 111.473 120.570 -0.138 0.000 3.228 53 I HA 0.193 4.330 4.170 -0.055 0.000 0.279 53 I C 0.390 176.516 176.117 0.015 0.000 1.221 53 I CA 0.852 62.119 61.300 -0.055 0.000 1.458 53 I CB 1.534 39.524 38.000 -0.016 0.000 1.105 53 I HN -0.871 7.237 8.210 -0.080 0.054 0.445 54 S N 1.017 116.717 115.700 0.000 0.000 2.475 54 S HA -0.018 4.582 4.470 0.079 -0.083 0.224 54 S C 1.780 176.407 174.600 0.045 0.000 1.042 54 S CA 3.050 61.290 58.200 0.067 0.000 0.935 54 S CB 0.834 64.115 63.200 0.135 0.000 0.801 54 S HN -0.527 7.615 8.310 -0.026 0.153 0.509 55 G N 0.619 109.270 108.800 -0.247 0.000 2.708 55 G HA2 -0.193 3.780 3.960 0.022 0.000 0.210 55 G HA3 -0.193 2.965 3.960 -1.337 0.000 0.210 55 G C -0.588 174.230 174.900 -0.136 0.000 1.141 55 G CA 2.155 47.004 45.100 -0.419 0.000 0.788 55 G HN 0.256 8.284 8.290 -0.437 0.000 0.531 56 T N -3.538 110.990 114.554 -0.044 0.000 3.081 56 T HA -0.177 4.171 4.350 -0.002 0.000 0.255 56 T C -0.038 174.735 174.700 0.121 0.000 1.113 56 T CA -0.322 61.794 62.100 0.028 0.000 1.082 56 T CB -0.420 68.474 68.868 0.044 0.000 0.939 56 T HN -0.459 7.678 8.240 -0.043 0.078 0.506 57 W N 4.048 125.339 121.300 -0.016 0.000 2.274 57 W HA -0.179 4.665 4.660 0.025 -0.169 0.345 57 W C -1.755 174.747 176.519 -0.027 0.000 1.265 57 W CA 2.416 59.764 57.345 0.005 0.000 1.293 57 W CB 0.638 30.114 29.460 0.026 0.000 1.175 57 W HN -0.708 7.600 8.180 0.305 0.055 0.577 58 D N 4.446 124.431 120.400 -0.691 0.000 2.421 58 D HA 0.225 4.558 4.640 -0.512 0.000 0.254 58 D C 0.266 175.819 176.300 -1.246 0.000 1.238 58 D CA -1.145 52.444 54.000 -0.684 0.000 0.919 58 D CB 2.090 42.713 40.800 -0.294 0.000 1.152 58 D HN -0.168 7.664 8.370 -0.897 0.000 0.552 59 K N 6.137 125.610 120.400 -1.545 0.000 2.280 59 K HA -0.215 2.911 4.320 -1.991 0.000 0.202 59 K C 0.692 176.821 176.600 -0.785 0.000 1.047 59 K CA 2.307 57.683 56.287 -1.518 0.000 0.942 59 K CB -0.074 31.777 32.500 -1.082 0.000 0.739 59 K HN 0.202 7.720 8.250 -1.220 0.000 0.457 60 H N -1.434 117.401 119.070 -0.392 0.000 2.353 60 H HA -0.196 4.261 4.556 -0.166 0.000 0.300 60 H C 0.633 175.858 175.328 -0.171 0.000 1.090 60 H CA 2.663 58.581 56.048 -0.216 0.000 1.327 60 H CB 0.247 29.906 29.762 -0.171 0.000 1.383 60 H HN -0.438 7.417 8.280 -0.809 -0.060 0.508 61 D N -6.563 113.791 120.400 -0.078 0.000 2.469 61 D HA 0.057 4.678 4.640 -0.031 0.000 0.213 61 D C -0.573 175.690 176.300 -0.062 0.000 1.135 61 D CA -1.004 52.964 54.000 -0.053 0.000 0.834 61 D CB 1.184 41.967 40.800 -0.028 0.000 1.009 61 D HN -0.552 7.968 8.370 -0.132 -0.229 0.507 62 N N -1.722 116.888 118.700 -0.150 0.000 2.740 62 N HA -0.366 4.396 4.740 -0.028 -0.038 0.248 62 N C -1.052 174.573 175.510 0.192 0.000 1.062 62 N CA 1.369 54.452 53.050 0.055 0.000 0.704 62 N CB -0.525 38.083 38.487 0.200 0.000 0.968 62 N HN 0.039 8.119 8.380 -0.329 0.103 0.547 63 T N -4.810 109.782 114.554 0.064 0.000 2.936 63 T HA 0.290 4.802 4.350 0.270 0.000 0.282 63 T C -0.634 174.202 174.700 0.227 0.000 1.003 63 T CA -1.424 60.780 62.100 0.174 0.000 1.005 63 T CB 2.677 71.595 68.868 0.084 0.000 1.097 63 T HN -0.909 7.399 8.240 -0.111 -0.134 0.532 64 G N 1.194 110.136 108.800 0.237 0.000 2.698 64 G HA2 -0.460 3.616 3.960 0.193 0.000 0.233 64 G HA3 -0.460 3.703 3.960 0.203 -0.082 0.233 64 G C -1.255 173.856 174.900 0.351 0.000 1.352 64 G CA -0.128 45.115 45.100 0.239 0.000 0.879 64 G HN 0.367 8.787 8.290 0.217 0.000 0.567 65 G N -1.621 107.354 108.800 0.292 0.000 2.663 65 G HA2 -0.295 3.937 3.960 0.167 0.000 0.686 65 G HA3 -0.295 3.764 3.960 0.165 0.000 0.686 65 G C 0.139 175.119 174.900 0.133 0.000 1.288 65 G CA -0.516 44.702 45.100 0.197 0.000 0.836 65 G HN -0.291 8.160 8.290 0.229 -0.024 0.584 66 S N 0.401 116.153 115.700 0.086 0.000 2.383 66 S HA -0.215 4.343 4.470 0.147 0.000 0.227 66 S C 1.177 175.845 174.600 0.112 0.000 1.026 66 S CA 2.284 60.551 58.200 0.112 0.000 0.981 66 S CB 0.888 64.142 63.200 0.090 0.000 0.818 66 S HN 0.403 8.728 8.310 0.024 0.000 0.472 67 Y N 4.275 124.540 120.300 -0.058 0.000 1.949 67 Y HA -0.542 3.952 4.550 -0.093 0.000 0.232 67 Y C 1.900 177.764 175.900 -0.060 0.000 1.205 67 Y CA 3.454 61.481 58.100 -0.121 0.000 1.037 67 Y CB -0.425 37.853 38.460 -0.303 0.000 0.849 67 Y HN 0.267 8.633 8.280 0.143 0.000 0.517 68 G N -5.463 103.323 108.800 -0.024 0.000 2.776 68 G HA2 -0.276 3.809 3.960 -0.132 0.000 0.209 68 G HA3 -0.276 3.756 3.960 0.120 0.000 0.209 68 G C 0.116 175.064 174.900 0.080 0.000 1.145 68 G CA -0.227 44.876 45.100 0.004 0.000 0.791 68 G HN 0.140 8.500 8.290 0.116 0.000 0.530 69 G N 0.331 109.204 108.800 0.121 0.000 2.422 69 G HA2 -0.456 3.755 3.960 0.418 0.000 0.301 69 G HA3 -0.456 3.641 3.960 0.153 -0.045 0.301 69 G C 0.399 175.446 174.900 0.246 0.000 0.981 69 G CA 1.261 46.509 45.100 0.247 0.000 0.994 69 G HN 0.060 8.348 8.290 0.101 0.062 0.514 70 T N -4.387 110.333 114.554 0.278 0.000 3.160 70 T HA -0.269 4.264 4.350 0.304 0.000 0.257 70 T C 0.624 175.483 174.700 0.266 0.000 1.147 70 T CA 1.264 63.569 62.100 0.341 0.000 1.064 70 T CB -0.561 68.558 68.868 0.417 0.000 0.949 70 T HN -0.189 8.202 8.240 0.268 0.009 0.526 71 Y N 2.180 122.559 120.300 0.132 0.000 2.403 71 Y HA -0.341 4.362 4.550 0.087 -0.101 0.291 71 Y C -0.511 175.426 175.900 0.062 0.000 1.143 71 Y CA 2.041 60.177 58.100 0.059 0.000 1.257 71 Y CB -0.351 38.040 38.460 -0.115 0.000 0.984 71 Y HN -0.117 8.352 8.280 0.406 0.055 0.550 72 R N -2.392 118.028 120.500 -0.133 0.000 2.339 72 R HA -0.216 3.758 4.340 -0.610 0.000 0.199 72 R C 0.329 176.251 176.300 -0.631 0.000 1.018 72 R CA 0.914 56.754 56.100 -0.435 0.000 1.036 72 R CB -0.432 29.722 30.300 -0.243 0.000 0.899 72 R HN -0.850 7.402 8.270 0.059 0.054 0.473 73 F N -0.431 119.444 119.950 -0.125 0.000 2.425 73 F HA 0.198 4.639 4.527 -0.144 0.000 0.331 73 F C 1.048 176.772 175.800 -0.126 0.000 1.085 73 F CA -1.780 56.155 58.000 -0.109 0.000 1.028 73 F CB 1.811 40.794 39.000 -0.028 0.000 1.177 73 F HN -0.379 7.672 8.300 -0.134 0.169 0.487 74 K N 3.526 123.970 120.400 0.074 0.000 2.074 74 K HA -0.475 3.847 4.320 0.003 0.000 0.209 74 K C 1.780 178.429 176.600 0.083 0.000 1.048 74 K CA 4.945 61.254 56.287 0.037 0.000 0.926 74 K CB -0.116 32.394 32.500 0.017 0.000 0.713 74 K HN 0.556 8.878 8.250 0.119 0.000 0.444 75 K N -1.488 118.967 120.400 0.091 0.000 2.001 75 K HA -0.386 3.968 4.320 0.057 0.000 0.214 75 K C 1.619 178.270 176.600 0.084 0.000 1.050 75 K CA 3.630 59.963 56.287 0.076 0.000 0.934 75 K CB -0.399 32.142 32.500 0.069 0.000 0.718 75 K HN 0.141 8.440 8.250 0.110 0.017 0.443 76 E N -1.699 118.569 120.200 0.114 0.000 2.047 76 E HA -0.258 4.164 4.350 0.120 0.000 0.191 76 E C 2.802 179.437 176.600 0.059 0.000 0.987 76 E CA 2.826 59.298 56.400 0.121 0.000 0.799 76 E CB -0.225 29.589 29.700 0.190 0.000 0.752 76 E HN -0.519 7.932 8.360 0.152 0.000 0.449 77 F N 0.012 119.766 119.950 -0.327 0.000 2.161 77 F HA -0.310 3.453 4.527 -1.273 0.000 0.300 77 F C 0.322 176.009 175.800 -0.189 0.000 1.089 77 F CA 3.263 60.881 58.000 -0.637 0.000 1.282 77 F CB 0.308 38.885 39.000 -0.704 0.000 1.010 77 F HN 0.043 8.343 8.300 0.001 0.000 0.485 78 N N -5.243 113.479 118.700 0.038 0.000 2.336 78 N HA -0.036 4.701 4.740 -0.005 0.000 0.189 78 N C -1.024 174.500 175.510 0.022 0.000 1.113 78 N CA 0.839 53.909 53.050 0.034 0.000 0.858 78 N CB 0.823 39.352 38.487 0.070 0.000 0.970 78 N HN -0.234 8.053 8.380 0.079 0.140 0.471 79 D N 2.199 122.620 120.400 0.035 0.000 2.531 79 D HA -0.036 4.829 4.640 0.036 -0.203 0.239 79 D C 0.305 176.623 176.300 0.031 0.000 1.144 79 D CA -0.290 53.733 54.000 0.038 0.000 0.869 79 D CB 1.346 42.174 40.800 0.048 0.000 1.160 79 D HN -0.520 7.696 8.370 0.045 0.181 0.484 80 P HA -0.139 4.301 4.420 0.032 0.000 0.225 80 P C 0.492 177.822 177.300 0.050 0.000 1.148 80 P CA 1.351 64.472 63.100 0.035 0.000 0.779 80 P CB 0.205 31.924 31.700 0.032 0.000 0.780 81 S N -3.501 112.224 115.700 0.042 0.000 2.593 81 S HA -0.122 4.408 4.470 0.101 0.000 0.217 81 S C -0.269 174.407 174.600 0.126 0.000 0.966 81 S CA 1.449 59.687 58.200 0.064 0.000 0.914 81 S CB -0.326 62.869 63.200 -0.008 0.000 0.776 81 S HN 0.253 8.939 8.310 0.024 -0.362 0.523 82 N N 1.107 119.866 118.700 0.098 0.000 2.235 82 N HA 0.149 5.044 4.740 0.259 0.000 0.209 82 N C -1.343 174.203 175.510 0.059 0.000 1.122 82 N CA -0.953 52.174 53.050 0.129 0.000 0.845 82 N CB 0.489 39.053 38.487 0.128 0.000 1.004 82 N HN -0.287 7.892 8.380 0.061 0.238 0.499 83 A N -0.835 122.026 122.820 0.069 0.000 2.477 83 A HA 0.030 4.485 4.320 0.003 -0.134 0.246 83 A C 0.162 177.778 177.584 0.053 0.000 1.078 83 A CA 1.108 53.170 52.037 0.043 0.000 0.770 83 A CB 0.091 19.126 19.000 0.058 0.000 1.011 83 A HN -0.960 7.169 8.150 0.094 0.077 0.494 84 G N 2.077 110.894 108.800 0.029 0.000 2.213 84 G HA2 -0.383 3.589 3.960 0.043 0.000 0.236 84 G HA3 -0.383 3.640 3.960 0.058 -0.028 0.236 84 G C 0.856 175.776 174.900 0.034 0.000 0.991 84 G CA 0.841 45.965 45.100 0.041 0.000 0.629 84 G HN 0.099 8.567 8.290 0.009 -0.173 0.517 85 L N 0.223 121.438 121.223 -0.013 0.000 2.492 85 L HA -0.208 4.122 4.340 -0.017 0.000 0.223 85 L C 0.855 177.752 176.870 0.044 0.000 1.132 85 L CA 0.901 55.719 54.840 -0.038 0.000 0.850 85 L CB -0.364 41.588 42.059 -0.178 0.000 0.966 85 L HN -0.760 7.379 8.230 -0.029 0.074 0.454 86 Q N -1.129 118.679 119.800 0.014 0.000 2.181 86 Q HA -0.430 4.093 4.340 0.305 0.000 0.205 86 Q C 2.082 178.254 176.000 0.286 0.000 0.980 86 Q CA 3.972 59.890 55.803 0.190 0.000 0.862 86 Q CB -0.965 27.886 28.738 0.187 0.000 0.905 86 Q HN 0.509 8.713 8.270 -0.039 0.043 0.429 87 N N -1.780 117.029 118.700 0.181 0.000 2.205 87 N HA -0.294 4.542 4.740 0.160 0.000 0.186 87 N C 1.786 177.372 175.510 0.127 0.000 1.015 87 N CA 3.018 56.156 53.050 0.146 0.000 0.862 87 N CB -0.197 38.359 38.487 0.115 0.000 0.986 87 N HN -0.486 7.962 8.380 0.138 0.015 0.429 88 G N -1.062 107.820 108.800 0.136 0.000 2.426 88 G HA2 -0.100 3.886 3.960 0.044 0.000 0.214 88 G HA3 -0.100 3.901 3.960 0.069 0.000 0.214 88 G C 0.679 175.692 174.900 0.188 0.000 1.156 88 G CA 1.125 46.288 45.100 0.103 0.000 0.802 88 G HN -0.247 7.959 8.290 0.136 0.166 0.534 89 F N 2.603 122.656 119.950 0.171 0.000 2.102 89 F HA -0.362 4.336 4.527 0.286 0.000 0.298 89 F C 1.123 177.038 175.800 0.190 0.000 1.105 89 F CA 3.243 61.407 58.000 0.273 0.000 1.239 89 F CB 0.445 39.750 39.000 0.509 0.000 0.991 89 F HN -0.274 8.182 8.300 0.419 0.095 0.474 90 K N -2.078 118.456 120.400 0.224 0.000 2.032 90 K HA -0.372 4.219 4.320 0.046 -0.243 0.209 90 K C 2.990 179.523 176.600 -0.111 0.000 1.048 90 K CA 2.722 59.053 56.287 0.073 0.000 0.927 90 K CB -0.617 31.967 32.500 0.140 0.000 0.712 90 K HN -0.213 8.266 8.250 0.382 0.000 0.441 91 F N -0.417 119.357 119.950 -0.293 0.000 2.202 91 F HA -0.296 3.941 4.527 -0.483 0.000 0.301 91 F C 0.620 176.210 175.800 -0.351 0.000 1.082 91 F CA 3.062 60.785 58.000 -0.462 0.000 1.313 91 F CB 0.360 38.908 39.000 -0.752 0.000 1.024 91 F HN -0.754 7.575 8.300 0.049 0.000 0.495 92 L N -5.914 115.173 121.223 -0.227 0.000 2.640 92 L HA -0.026 4.074 4.340 -0.401 0.000 0.230 92 L C 0.428 177.066 176.870 -0.386 0.000 1.123 92 L CA -0.061 54.589 54.840 -0.317 0.000 0.900 92 L CB -0.042 41.901 42.059 -0.192 0.000 1.146 92 L HN -0.647 7.360 8.230 -0.152 0.133 0.484 93 E N -0.372 119.572 120.200 -0.427 0.000 2.077 93 E HA -0.187 3.976 4.350 -0.312 0.000 0.193 93 E C -0.363 176.105 176.600 -0.221 0.000 0.989 93 E CA 3.907 60.102 56.400 -0.342 0.000 0.800 93 E CB -2.592 26.936 29.700 -0.287 0.000 0.746 93 E HN -0.272 7.712 8.360 -0.415 0.128 0.452 94 P HA -0.238 4.061 4.420 -0.202 0.000 0.211 94 P C 1.632 178.785 177.300 -0.244 0.000 1.181 94 P CA 2.447 65.401 63.100 -0.244 0.000 0.929 94 P CB -0.513 31.007 31.700 -0.300 0.000 0.789 95 I N -4.080 116.326 120.570 -0.273 0.000 2.381 95 I HA -0.506 3.512 4.170 -0.253 0.000 0.255 95 I C 1.856 177.908 176.117 -0.109 0.000 1.140 95 I CA 3.768 64.943 61.300 -0.208 0.000 1.404 95 I CB -0.341 37.546 38.000 -0.188 0.000 1.075 95 I HN 0.099 8.104 8.210 -0.341 0.000 0.433 96 H N -0.252 118.662 119.070 -0.260 0.000 2.395 96 H HA -0.342 4.075 4.556 -0.231 0.000 0.299 96 H C 1.546 176.732 175.328 -0.236 0.000 1.070 96 H CA 2.295 58.194 56.048 -0.247 0.000 1.356 96 H CB 0.273 29.874 29.762 -0.268 0.000 1.401 96 H HN -0.323 7.730 8.280 -0.111 0.160 0.524 97 K N -1.922 118.377 120.400 -0.170 0.000 2.097 97 K HA -0.276 3.915 4.320 -0.215 0.000 0.206 97 K C 1.723 178.161 176.600 -0.269 0.000 1.049 97 K CA 2.198 58.359 56.287 -0.211 0.000 0.933 97 K CB -0.238 32.157 32.500 -0.174 0.000 0.717 97 K HN -0.420 7.656 8.250 -0.137 0.092 0.442 98 E N -1.150 118.824 120.200 -0.377 0.000 2.031 98 E HA -0.232 3.817 4.350 -0.502 0.000 0.193 98 E C 0.620 176.768 176.600 -0.754 0.000 0.994 98 E CA 2.661 58.666 56.400 -0.658 0.000 0.800 98 E CB 0.677 29.810 29.700 -0.944 0.000 0.752 98 E HN -0.680 7.383 8.360 -0.333 0.097 0.447 99 F N -3.338 116.504 119.950 -0.179 0.000 2.550 99 F HA 0.445 4.931 4.527 -0.068 0.000 0.312 99 F C -1.976 173.514 175.800 -0.516 0.000 1.256 99 F CA -3.608 54.205 58.000 -0.311 0.000 1.182 99 F CB -0.539 38.161 39.000 -0.500 0.000 1.383 99 F HN -0.577 7.433 8.300 -0.366 0.070 0.541 100 P HA -0.029 4.102 4.420 -0.567 -0.051 0.236 100 P C -0.874 176.305 177.300 -0.201 0.000 1.172 100 P CA 1.060 63.978 63.100 -0.302 0.000 0.759 100 P CB -0.063 31.517 31.700 -0.199 0.000 0.843 101 W N -4.837 116.437 121.300 -0.043 0.000 2.523 101 W HA -0.053 4.586 4.660 -0.036 0.000 0.278 101 W C -0.456 176.073 176.519 0.015 0.000 1.236 101 W CA -0.786 56.544 57.345 -0.025 0.000 1.306 101 W CB -0.780 28.663 29.460 -0.028 0.000 1.101 101 W HN -0.844 7.045 8.180 -0.350 0.081 0.577 102 I N 2.600 122.765 120.570 -0.674 0.000 2.752 102 I HA -0.175 4.172 4.170 -0.107 -0.241 0.287 102 I C -0.456 175.628 176.117 -0.055 0.000 1.188 102 I CA 0.077 61.101 61.300 -0.460 0.000 1.427 102 I CB 1.818 39.312 38.000 -0.843 0.000 1.365 102 I HN -0.844 6.476 8.210 -1.482 0.000 0.585 103 S N 6.436 122.162 115.700 0.044 0.000 2.632 103 S HA 0.140 4.702 4.470 0.028 -0.076 0.267 103 S C 0.958 175.514 174.600 -0.073 0.000 1.276 103 S CA -0.585 57.624 58.200 0.016 0.000 0.998 103 S CB 2.244 65.434 63.200 -0.017 0.000 0.953 103 S HN -0.278 8.100 8.310 0.114 0.000 0.547 104 S N 2.732 118.359 115.700 -0.122 0.000 2.370 104 S HA -0.355 3.624 4.470 -0.819 0.000 0.226 104 S C 2.050 176.282 174.600 -0.613 0.000 1.033 104 S CA 4.171 62.091 58.200 -0.465 0.000 1.011 104 S CB -0.323 62.767 63.200 -0.183 0.000 0.852 104 S HN 0.209 8.921 8.310 -0.036 -0.423 0.457 105 G N 0.985 109.681 108.800 -0.174 0.000 2.418 105 G HA2 -0.277 3.784 3.960 0.168 0.000 0.217 105 G HA3 -0.277 3.751 3.960 -0.012 -0.076 0.217 105 G C 0.937 175.854 174.900 0.028 0.000 1.158 105 G CA 1.906 47.005 45.100 -0.001 0.000 0.771 105 G HN 0.568 8.786 8.290 -0.120 0.000 0.545 106 D N 2.184 122.599 120.400 0.024 0.000 2.183 106 D HA -0.045 4.903 4.640 0.513 0.000 0.203 106 D C 2.216 178.581 176.300 0.109 0.000 0.969 106 D CA 2.794 56.958 54.000 0.274 0.000 0.842 106 D CB 0.221 41.231 40.800 0.351 0.000 0.957 106 D HN -0.599 7.656 8.370 -0.040 0.090 0.484 107 L N 0.378 121.465 121.223 -0.226 0.000 2.044 107 L HA -0.253 3.888 4.340 -0.333 0.000 0.205 107 L C 1.593 178.303 176.870 -0.267 0.000 1.075 107 L CA 3.482 58.076 54.840 -0.410 0.000 0.747 107 L CB 0.032 41.614 42.059 -0.795 0.000 0.903 107 L HN -0.487 7.441 8.230 -0.318 0.111 0.435 108 F N -2.520 117.394 119.950 -0.060 0.000 2.171 108 F HA -0.374 4.127 4.527 -0.043 0.000 0.300 108 F C 2.335 178.147 175.800 0.021 0.000 1.090 108 F CA 2.293 60.285 58.000 -0.013 0.000 1.293 108 F CB -0.909 38.116 39.000 0.041 0.000 1.013 108 F HN 0.222 8.121 8.300 -0.669 0.000 0.486 109 S N -0.733 115.112 115.700 0.242 0.000 2.377 109 S HA -0.293 4.309 4.470 0.219 0.000 0.223 109 S C 1.760 176.398 174.600 0.064 0.000 1.030 109 S CA 3.401 61.743 58.200 0.237 0.000 0.970 109 S CB 0.520 63.950 63.200 0.384 0.000 0.830 109 S HN -0.525 7.923 8.310 0.230 0.000 0.473 110 L N 3.143 124.235 121.223 -0.219 0.000 2.079 110 L HA -0.304 3.326 4.340 -1.182 0.000 0.210 110 L C 1.532 178.179 176.870 -0.372 0.000 1.081 110 L CA 3.145 57.543 54.840 -0.738 0.000 0.752 110 L CB -0.345 41.139 42.059 -0.958 0.000 0.896 110 L HN -0.400 7.779 8.230 -0.085 0.000 0.433 111 G N -3.546 105.131 108.800 -0.204 0.000 2.442 111 G HA2 -0.355 3.490 3.960 -0.192 0.000 0.219 111 G HA3 -0.355 3.580 3.960 -0.042 0.000 0.219 111 G C 1.071 175.945 174.900 -0.044 0.000 1.141 111 G CA 2.217 47.247 45.100 -0.117 0.000 0.763 111 G HN -0.006 8.174 8.290 -0.166 0.011 0.554 112 G N 0.836 109.681 108.800 0.076 0.000 2.464 112 G HA2 -0.060 3.944 3.960 0.074 0.000 0.217 112 G HA3 -0.060 4.112 3.960 0.353 0.000 0.217 112 G C 1.148 176.145 174.900 0.162 0.000 1.138 112 G CA 0.995 46.197 45.100 0.170 0.000 0.793 112 G HN -0.435 7.767 8.290 0.095 0.145 0.539 113 V N 3.072 123.083 119.914 0.162 0.000 2.427 113 V HA -0.554 3.727 4.120 0.269 0.000 0.248 113 V C 1.574 177.728 176.094 0.100 0.000 1.051 113 V CA 4.417 66.819 62.300 0.170 0.000 1.048 113 V CB -0.023 31.866 31.823 0.111 0.000 0.666 113 V HN -0.343 7.812 8.190 0.098 0.095 0.456 114 T N 1.621 116.140 114.554 -0.059 0.000 2.777 114 T HA -0.364 3.923 4.350 -0.105 0.000 0.266 114 T C 1.145 175.742 174.700 -0.173 0.000 1.040 114 T CA 4.791 66.718 62.100 -0.287 0.000 1.141 114 T CB -0.757 67.682 68.868 -0.715 0.000 0.868 114 T HN 0.215 8.365 8.240 -0.128 0.013 0.444 115 A N 0.768 123.507 122.820 -0.135 0.000 1.930 115 A HA -0.166 4.087 4.320 -0.112 0.000 0.217 115 A C 2.032 179.546 177.584 -0.116 0.000 1.175 115 A CA 2.989 54.956 52.037 -0.118 0.000 0.627 115 A CB -0.904 18.028 19.000 -0.113 0.000 0.815 115 A HN -0.584 7.411 8.150 -0.118 0.085 0.443 116 V N -0.916 118.911 119.914 -0.146 0.000 2.270 116 V HA -0.674 3.210 4.120 -0.394 0.000 0.245 116 V C 1.944 177.972 176.094 -0.110 0.000 1.043 116 V CA 4.589 66.733 62.300 -0.259 0.000 1.014 116 V CB -0.137 31.493 31.823 -0.321 0.000 0.645 116 V HN -0.469 7.658 8.190 -0.106 0.000 0.447 117 Q N -0.387 119.422 119.800 0.015 0.000 2.050 117 Q HA -0.350 4.047 4.340 0.095 0.000 0.202 117 Q C 3.393 179.472 176.000 0.132 0.000 0.980 117 Q CA 3.297 59.172 55.803 0.121 0.000 0.840 117 Q CB -0.059 28.832 28.738 0.255 0.000 0.898 117 Q HN -0.400 7.892 8.270 0.037 0.000 0.424 118 E N -0.378 119.883 120.200 0.102 0.000 2.160 118 E HA -0.259 4.166 4.350 0.124 0.000 0.195 118 E C 1.618 178.260 176.600 0.070 0.000 0.991 118 E CA 2.429 58.877 56.400 0.079 0.000 0.810 118 E CB -0.295 29.407 29.700 0.004 0.000 0.742 118 E HN 0.288 8.570 8.360 0.069 0.120 0.466 119 M N -2.622 117.008 119.600 0.051 0.000 2.639 119 M HA -0.012 4.520 4.480 0.088 0.000 0.220 119 M C -1.035 175.357 176.300 0.154 0.000 1.155 119 M CA 0.507 55.857 55.300 0.083 0.000 1.003 119 M CB -0.272 32.358 32.600 0.052 0.000 1.725 119 M HN -0.542 7.745 8.290 0.012 0.010 0.489 120 Q N -6.629 113.267 119.800 0.160 0.000 2.504 120 Q HA -0.366 4.094 4.340 0.200 0.000 0.269 120 Q C -0.685 175.528 176.000 0.355 0.000 0.970 120 Q CA 0.778 56.716 55.803 0.225 0.000 1.064 120 Q CB -2.667 26.197 28.738 0.208 0.000 1.355 120 Q HN -0.036 8.108 8.270 0.130 0.204 0.557 121 G N -0.726 108.214 108.800 0.232 0.000 2.535 121 G HA2 0.325 4.509 3.960 0.375 0.000 0.282 121 G HA3 0.325 4.236 3.960 -0.137 -0.034 0.282 121 G C -2.345 172.520 174.900 -0.058 0.000 1.350 121 G CA -1.185 43.964 45.100 0.083 0.000 1.039 121 G HN 0.298 8.542 8.290 0.122 0.119 0.509 122 P HA 0.112 4.608 4.420 0.126 0.000 0.277 122 P C -1.265 176.019 177.300 -0.027 0.000 1.271 122 P CA -0.981 62.038 63.100 -0.135 0.000 0.795 122 P CB 1.070 32.605 31.700 -0.275 0.000 1.101 123 K N -1.267 119.162 120.400 0.048 0.000 2.270 123 K HA 0.014 4.398 4.320 0.107 0.000 0.276 123 K C -0.189 176.460 176.600 0.081 0.000 1.023 123 K CA -0.024 56.312 56.287 0.082 0.000 0.955 123 K CB 0.465 33.013 32.500 0.081 0.000 0.975 123 K HN -0.067 8.221 8.250 0.063 0.000 0.471 124 I N 5.009 125.662 120.570 0.139 0.000 2.466 124 I HA 0.323 4.551 4.170 0.097 0.000 0.279 124 I C -2.105 174.134 176.117 0.204 0.000 1.033 124 I CA -3.337 58.056 61.300 0.155 0.000 1.123 124 I CB 1.274 39.403 38.000 0.216 0.000 1.237 124 I HN -0.197 8.383 8.210 0.177 -0.263 0.460 125 P HA -0.059 4.646 4.420 0.118 -0.213 0.267 125 P C -2.130 175.310 177.300 0.234 0.000 1.195 125 P CA -0.185 62.980 63.100 0.108 0.000 0.773 125 P CB 0.680 32.366 31.700 -0.024 0.000 0.837 126 W N 0.616 121.951 121.300 0.058 0.000 3.118 126 W HA 0.196 4.868 4.660 0.020 0.000 0.328 126 W C -2.738 173.828 176.519 0.078 0.000 1.239 126 W CA -1.060 56.351 57.345 0.109 0.000 1.176 126 W CB 3.862 33.510 29.460 0.313 0.000 1.433 126 W HN 0.212 8.645 8.180 0.287 -0.081 0.562 127 R N 0.128 120.000 120.500 -1.047 0.000 2.837 127 R HA 0.366 4.399 4.340 -0.511 0.000 0.271 127 R C -1.810 173.590 176.300 -1.500 0.000 0.993 127 R CA -1.492 54.052 56.100 -0.927 0.000 0.931 127 R CB 4.248 34.135 30.300 -0.689 0.000 1.206 127 R HN 0.461 7.807 8.270 -1.540 0.000 0.474 128 C N -0.822 118.026 119.300 -0.753 0.000 2.423 128 C HA 0.106 4.251 4.460 -0.913 -0.233 0.378 128 C C 0.221 175.158 174.990 -0.089 0.000 1.244 128 C CA -1.626 57.044 59.018 -0.580 0.000 1.978 128 C CB 3.243 30.740 27.740 -0.404 0.000 2.252 128 C HN 0.426 8.492 8.230 -0.274 0.000 0.526 129 G N -1.164 107.637 108.800 0.001 0.000 2.367 129 G HA2 -0.193 3.962 3.960 0.091 0.000 0.181 129 G HA3 -0.193 3.757 3.960 -0.017 0.000 0.181 129 G C -0.533 174.340 174.900 -0.045 0.000 1.000 129 G CA -0.381 44.733 45.100 0.023 0.000 0.693 129 G HN 0.180 8.858 8.290 0.044 -0.361 0.480 130 R N 1.708 122.154 120.500 -0.090 0.000 2.697 130 R HA -0.086 4.003 4.340 -0.419 0.000 0.265 130 R C -1.091 174.967 176.300 -0.402 0.000 1.009 130 R CA 1.502 57.420 56.100 -0.303 0.000 1.099 130 R CB 0.572 30.757 30.300 -0.192 0.000 0.965 130 R HN -0.460 7.996 8.270 -0.061 -0.223 0.428 131 V N 1.438 120.842 119.914 -0.851 0.000 2.735 131 V HA 0.124 4.118 4.120 -0.210 0.000 0.310 131 V C -1.440 174.390 176.094 -0.441 0.000 1.061 131 V CA -1.344 60.679 62.300 -0.461 0.000 0.913 131 V CB 4.067 35.751 31.823 -0.232 0.000 1.005 131 V HN -0.171 6.929 8.190 -1.816 0.000 0.428 132 D N 4.515 124.821 120.400 -0.156 0.000 2.345 132 D HA 0.063 4.844 4.640 -0.040 -0.165 0.247 132 D C 0.252 176.584 176.300 0.054 0.000 1.108 132 D CA 0.640 54.621 54.000 -0.032 0.000 0.894 132 D CB 0.913 41.728 40.800 0.025 0.000 1.203 132 D HN 0.101 8.415 8.370 -0.093 0.000 0.430 133 T N 0.377 115.018 114.554 0.145 0.000 2.893 133 T HA 0.459 4.907 4.350 0.162 0.000 0.293 133 T C -1.994 172.851 174.700 0.242 0.000 1.027 133 T CA -3.020 59.194 62.100 0.189 0.000 0.988 133 T CB 1.274 70.265 68.868 0.205 0.000 1.043 133 T HN -0.262 8.085 8.240 0.179 0.000 0.461 134 P HA -0.096 4.354 4.420 0.051 0.000 0.267 134 P C 0.775 177.940 177.300 -0.226 0.000 1.195 134 P CA -0.362 62.747 63.100 0.015 0.000 0.773 134 P CB 0.711 32.412 31.700 0.001 0.000 0.837 135 E N 1.441 121.253 120.200 -0.647 0.000 2.284 135 E HA -0.473 2.409 4.350 -2.447 0.000 0.200 135 E C 1.617 177.918 176.600 -0.500 0.000 1.008 135 E CA 3.260 58.947 56.400 -1.189 0.000 0.829 135 E CB -0.043 29.113 29.700 -0.907 0.000 0.744 135 E HN 0.554 8.646 8.360 -0.447 0.000 0.491 136 D N -6.588 113.664 120.400 -0.246 0.000 2.269 136 D HA -0.206 4.360 4.640 -0.124 0.000 0.208 136 D C 1.045 177.318 176.300 -0.045 0.000 0.963 136 D CA 1.703 55.634 54.000 -0.114 0.000 0.864 136 D CB -0.832 39.931 40.800 -0.062 0.000 0.936 136 D HN -0.077 8.105 8.370 -0.209 0.062 0.505 137 T N -4.243 110.307 114.554 -0.008 0.000 3.215 137 T HA -0.030 4.368 4.350 0.081 0.000 0.254 137 T C 0.249 175.007 174.700 0.096 0.000 1.149 137 T CA 0.447 62.594 62.100 0.080 0.000 1.042 137 T CB -0.282 68.675 68.868 0.147 0.000 0.966 137 T HN -0.203 7.873 8.240 -0.037 0.142 0.534 138 T N 6.368 120.952 114.554 0.050 0.000 2.769 138 T HA 0.075 4.530 4.350 0.176 0.000 0.293 138 T C -1.734 173.019 174.700 0.089 0.000 0.931 138 T CA -0.087 62.078 62.100 0.109 0.000 1.139 138 T CB 0.132 69.063 68.868 0.106 0.000 0.881 138 T HN -0.762 7.359 8.240 -0.034 0.098 0.532 139 P HA -0.135 4.328 4.420 0.073 0.000 0.266 139 P C -1.412 175.930 177.300 0.070 0.000 1.195 139 P CA -0.484 62.667 63.100 0.085 0.000 0.768 139 P CB 0.806 32.563 31.700 0.095 0.000 0.838 140 D N 1.167 121.598 120.400 0.051 0.000 2.382 140 D HA -0.139 4.527 4.640 0.043 0.000 0.240 140 D C 0.317 176.644 176.300 0.045 0.000 1.146 140 D CA 0.800 54.825 54.000 0.043 0.000 0.897 140 D CB 1.373 42.193 40.800 0.032 0.000 1.197 140 D HN 0.007 8.404 8.370 0.046 0.000 0.432 141 N N -0.880 117.845 118.700 0.042 0.000 2.479 141 N HA -0.347 4.614 4.740 0.037 -0.198 0.257 141 N C 0.940 176.472 175.510 0.037 0.000 1.232 141 N CA 1.635 54.708 53.050 0.038 0.000 0.920 141 N CB 0.395 38.903 38.487 0.035 0.000 1.105 141 N HN 0.170 8.574 8.380 0.040 0.000 0.444 142 G N 2.624 111.444 108.800 0.034 0.000 2.192 142 G HA2 -0.287 3.703 3.960 0.050 0.000 0.193 142 G HA3 -0.287 3.706 3.960 0.055 0.000 0.193 142 G C -0.232 174.721 174.900 0.089 0.000 0.999 142 G CA -0.195 44.937 45.100 0.054 0.000 0.659 142 G HN 0.369 8.881 8.290 0.020 -0.210 0.503 143 R N -0.825 119.721 120.500 0.076 0.000 2.310 143 R HA 0.017 4.460 4.340 0.173 0.000 0.202 143 R C -0.501 175.941 176.300 0.237 0.000 0.933 143 R CA 0.260 56.437 56.100 0.127 0.000 1.054 143 R CB 0.452 30.786 30.300 0.057 0.000 0.985 143 R HN 0.085 8.381 8.270 0.042 0.000 0.489 144 L N -1.559 119.733 121.223 0.115 0.000 2.334 144 L HA 0.348 4.831 4.340 0.238 0.000 0.270 144 L C -1.792 175.041 176.870 -0.062 0.000 1.018 144 L CA -2.870 51.987 54.840 0.028 0.000 0.811 144 L CB 1.232 43.118 42.059 -0.288 0.000 1.271 144 L HN -0.450 7.742 8.230 0.047 0.067 0.443 145 P HA 0.050 4.244 4.420 -0.376 0.000 0.272 145 P C -1.180 176.073 177.300 -0.079 0.000 1.223 145 P CA -0.691 62.148 63.100 -0.435 0.000 0.784 145 P CB 0.462 31.726 31.700 -0.726 0.000 0.923 146 D N 1.057 121.427 120.400 -0.051 0.000 2.193 146 D HA 0.060 4.708 4.640 0.014 0.000 0.249 146 D C 0.007 176.309 176.300 0.003 0.000 1.034 146 D CA -1.357 52.607 54.000 -0.060 0.000 0.902 146 D CB 1.561 42.229 40.800 -0.220 0.000 1.182 146 D HN -0.272 8.085 8.370 -0.022 0.000 0.436 147 A N 2.686 125.546 122.820 0.067 0.000 2.044 147 A HA 0.012 4.367 4.320 0.059 0.000 0.213 147 A C -0.131 177.478 177.584 0.042 0.000 1.169 147 A CA 1.018 53.083 52.037 0.046 0.000 0.724 147 A CB 1.067 20.040 19.000 -0.046 0.000 0.840 147 A HN 0.213 8.431 8.150 0.113 0.000 0.463 148 D N -2.709 117.748 120.400 0.094 0.000 2.856 148 D HA -0.043 4.688 4.640 0.152 0.000 0.242 148 D C -1.095 175.229 176.300 0.040 0.000 1.226 148 D CA 0.451 54.517 54.000 0.110 0.000 0.855 148 D CB -1.530 39.349 40.800 0.133 0.000 1.065 148 D HN -0.310 8.251 8.370 0.103 -0.129 0.462 149 K N -1.646 118.781 120.400 0.045 0.000 2.137 149 K HA 0.275 4.619 4.320 0.041 0.000 0.251 149 K C -2.218 174.478 176.600 0.159 0.000 1.048 149 K CA -1.702 54.614 56.287 0.049 0.000 0.873 149 K CB 2.678 35.111 32.500 -0.112 0.000 1.442 149 K HN -0.612 7.607 8.250 0.076 0.077 0.467 150 D N -4.804 115.725 120.400 0.214 0.000 2.687 150 D HA 0.129 4.887 4.640 0.196 0.000 0.264 150 D C 0.806 177.257 176.300 0.252 0.000 1.091 150 D CA -1.484 52.644 54.000 0.214 0.000 1.123 150 D CB 2.436 43.349 40.800 0.188 0.000 1.407 150 D HN -0.254 8.265 8.370 0.248 0.000 0.591 151 A N -0.945 122.015 122.820 0.233 0.000 1.958 151 A HA -0.301 4.210 4.320 0.319 0.000 0.221 151 A C 1.591 179.378 177.584 0.338 0.000 1.178 151 A CA 2.825 55.051 52.037 0.315 0.000 0.642 151 A CB -0.093 19.119 19.000 0.353 0.000 0.816 151 A HN 0.529 8.798 8.150 0.199 0.000 0.453 152 G N -3.552 105.402 108.800 0.257 0.000 2.430 152 G HA2 -0.191 3.891 3.960 0.203 0.000 0.216 152 G HA3 -0.191 3.881 3.960 0.187 0.000 0.216 152 G C 0.290 175.342 174.900 0.253 0.000 1.146 152 G CA 1.284 46.518 45.100 0.224 0.000 0.793 152 G HN -0.041 8.648 8.290 0.231 -0.261 0.537 153 Y N 3.736 124.142 120.300 0.176 0.000 2.293 153 Y HA -0.198 4.457 4.550 0.174 0.000 0.291 153 Y C 1.829 177.880 175.900 0.252 0.000 1.137 153 Y CA 2.482 60.692 58.100 0.183 0.000 1.202 153 Y CB 0.095 38.639 38.460 0.140 0.000 0.990 153 Y HN -0.594 8.050 8.280 0.383 -0.135 0.537 154 V N 0.579 120.583 119.914 0.150 0.000 2.261 154 V HA -0.610 3.573 4.120 0.106 0.000 0.246 154 V C 1.694 177.992 176.094 0.340 0.000 1.047 154 V CA 4.900 67.327 62.300 0.212 0.000 1.015 154 V CB -0.680 31.294 31.823 0.252 0.000 0.642 154 V HN -0.457 7.908 8.190 0.325 0.021 0.446 155 R N -1.647 119.063 120.500 0.349 0.000 2.091 155 R HA -0.278 4.326 4.340 0.439 0.000 0.238 155 R C 2.448 178.885 176.300 0.229 0.000 1.136 155 R CA 3.501 59.803 56.100 0.337 0.000 0.959 155 R CB -0.043 30.395 30.300 0.231 0.000 0.856 155 R HN -0.214 8.263 8.270 0.345 0.000 0.437 156 T N -1.683 112.952 114.554 0.134 0.000 2.896 156 T HA -0.127 4.481 4.350 0.081 -0.209 0.263 156 T C 1.772 176.469 174.700 -0.004 0.000 1.050 156 T CA 2.966 65.106 62.100 0.066 0.000 1.140 156 T CB -0.067 68.837 68.868 0.059 0.000 0.877 156 T HN -0.587 7.721 8.240 0.126 0.008 0.457 157 F N 3.756 123.535 119.950 -0.285 0.000 2.126 157 F HA -0.406 3.935 4.527 -0.309 0.000 0.299 157 F C 1.548 177.196 175.800 -0.253 0.000 1.096 157 F CA 3.770 61.522 58.000 -0.414 0.000 1.255 157 F CB 0.166 38.685 39.000 -0.802 0.000 0.997 157 F HN 0.005 8.118 8.300 -0.124 0.113 0.479 158 F N -2.384 117.619 119.950 0.087 0.000 2.325 158 F HA -0.378 4.136 4.527 -0.021 0.000 0.299 158 F C 1.913 177.703 175.800 -0.017 0.000 1.090 158 F CA 4.010 62.038 58.000 0.046 0.000 1.392 158 F CB -0.386 38.701 39.000 0.145 0.000 1.053 158 F HN 0.149 8.669 8.300 0.352 -0.009 0.521 159 Q N -0.660 119.217 119.800 0.128 0.000 2.234 159 Q HA -0.407 4.002 4.340 0.116 0.000 0.206 159 Q C 2.002 177.991 176.000 -0.018 0.000 0.980 159 Q CA 3.057 58.905 55.803 0.076 0.000 0.869 159 Q CB -0.546 28.231 28.738 0.065 0.000 0.912 159 Q HN -0.372 7.874 8.270 0.125 0.098 0.436 160 R N -0.867 119.561 120.500 -0.119 0.000 2.152 160 R HA -0.281 3.918 4.340 -0.235 0.000 0.232 160 R C 1.272 177.441 176.300 -0.219 0.000 1.117 160 R CA 2.982 58.947 56.100 -0.226 0.000 0.981 160 R CB -0.137 29.969 30.300 -0.323 0.000 0.870 160 R HN -0.545 7.600 8.270 -0.162 0.027 0.451 161 L N -5.690 115.524 121.223 -0.016 0.000 2.585 161 L HA 0.017 4.631 4.340 0.457 0.000 0.226 161 L C -0.757 176.351 176.870 0.395 0.000 1.113 161 L CA 0.030 55.051 54.840 0.301 0.000 0.876 161 L CB 0.414 42.700 42.059 0.379 0.000 1.072 161 L HN -0.512 7.551 8.230 -0.027 0.151 0.468 162 N N -3.744 115.089 118.700 0.221 0.000 2.920 162 N HA -0.308 4.567 4.740 0.111 -0.068 0.247 162 N C -1.719 173.898 175.510 0.178 0.000 1.123 162 N CA 0.844 54.007 53.050 0.188 0.000 0.711 162 N CB -0.823 37.827 38.487 0.273 0.000 1.065 162 N HN -0.749 7.518 8.380 0.129 0.190 0.554 163 M N -4.452 115.271 119.600 0.205 0.000 2.456 163 M HA 0.479 5.162 4.480 0.114 -0.135 0.324 163 M C -0.502 175.872 176.300 0.123 0.000 1.124 163 M CA -2.612 52.781 55.300 0.155 0.000 0.959 163 M CB 2.093 34.793 32.600 0.166 0.000 1.692 163 M HN -0.801 7.637 8.290 0.247 0.000 0.444 164 N N 2.230 120.975 118.700 0.076 0.000 2.418 164 N HA 0.011 4.800 4.740 0.082 0.000 0.283 164 N C 0.073 175.627 175.510 0.074 0.000 1.267 164 N CA -0.707 52.384 53.050 0.069 0.000 0.975 164 N CB 0.754 39.271 38.487 0.050 0.000 1.167 164 N HN 0.021 8.438 8.380 0.063 0.000 0.581 165 D N -1.718 118.732 120.400 0.084 0.000 2.117 165 D HA -0.304 4.517 4.640 0.303 0.000 0.197 165 D C 1.951 178.354 176.300 0.170 0.000 0.987 165 D CA 4.229 58.321 54.000 0.152 0.000 0.829 165 D CB 0.012 40.817 40.800 0.008 0.000 0.961 165 D HN 0.211 8.611 8.370 0.050 0.000 0.460 166 R N -1.307 119.260 120.500 0.112 0.000 2.073 166 R HA -0.344 4.108 4.340 0.187 0.000 0.229 166 R C 2.018 178.417 176.300 0.164 0.000 1.120 166 R CA 3.328 59.517 56.100 0.149 0.000 0.967 166 R CB 0.173 30.543 30.300 0.117 0.000 0.862 166 R HN -0.230 8.282 8.270 0.077 -0.196 0.436 167 E N -1.418 118.831 120.200 0.082 0.000 2.204 167 E HA -0.282 4.102 4.350 0.057 0.000 0.194 167 E C 2.224 178.770 176.600 -0.089 0.000 0.989 167 E CA 2.992 59.404 56.400 0.019 0.000 0.824 167 E CB 0.072 29.768 29.700 -0.006 0.000 0.756 167 E HN -0.580 8.070 8.360 0.068 -0.249 0.477 168 V N -3.642 116.178 119.914 -0.157 0.000 2.649 168 V HA -0.185 3.542 4.120 -0.654 0.000 0.248 168 V C 1.463 177.402 176.094 -0.257 0.000 1.054 168 V CA 3.374 65.409 62.300 -0.441 0.000 1.073 168 V CB -0.680 30.779 31.823 -0.608 0.000 0.699 168 V HN -0.434 7.589 8.190 -0.038 0.144 0.463 169 V N 1.890 121.797 119.914 -0.012 0.000 2.379 169 V HA -0.476 3.662 4.120 0.029 0.000 0.245 169 V C 1.705 177.964 176.094 0.274 0.000 1.044 169 V CA 3.891 66.273 62.300 0.138 0.000 1.036 169 V CB -0.415 31.569 31.823 0.269 0.000 0.664 169 V HN -0.496 7.738 8.190 0.073 0.000 0.453 170 A N -0.316 122.679 122.820 0.292 0.000 1.858 170 A HA -0.183 4.321 4.320 0.307 0.000 0.216 170 A C 2.564 180.437 177.584 0.483 0.000 1.190 170 A CA 2.782 55.039 52.037 0.367 0.000 0.617 170 A CB -0.316 18.857 19.000 0.289 0.000 0.827 170 A HN -0.319 7.987 8.150 0.261 0.000 0.443 171 L N -2.277 119.072 121.223 0.209 0.000 2.043 171 L HA -0.420 4.255 4.340 0.558 0.000 0.212 171 L C 2.557 179.403 176.870 -0.041 0.000 1.075 171 L CA 2.990 57.928 54.840 0.164 0.000 0.752 171 L CB -0.335 41.628 42.059 -0.160 0.000 0.891 171 L HN -0.465 7.802 8.230 0.062 0.000 0.432 172 M N -1.088 118.359 119.600 -0.255 0.000 2.296 172 M HA -0.245 3.744 4.480 -0.819 0.000 0.265 172 M C 1.735 177.417 176.300 -1.031 0.000 1.064 172 M CA 2.166 57.073 55.300 -0.656 0.000 1.109 172 M CB -0.559 31.730 32.600 -0.519 0.000 1.396 172 M HN -0.444 7.649 8.290 -0.170 0.095 0.430 173 G N -2.006 106.423 108.800 -0.618 0.000 2.501 173 G HA2 -0.323 2.687 3.960 -1.583 0.000 0.220 173 G HA3 -0.323 3.208 3.960 -0.714 0.000 0.220 173 G C 0.438 174.977 174.900 -0.602 0.000 1.114 173 G CA 1.691 46.240 45.100 -0.918 0.000 0.757 173 G HN -0.010 8.069 8.290 -0.127 0.135 0.559 174 A N 1.827 124.394 122.820 -0.421 0.000 2.125 174 A HA -0.345 3.961 4.320 -0.023 0.000 0.219 174 A C 0.917 178.260 177.584 -0.403 0.000 1.156 174 A CA 1.720 53.581 52.037 -0.293 0.000 0.671 174 A CB -0.684 18.145 19.000 -0.285 0.000 0.794 174 A HN -0.408 7.345 8.150 -0.378 0.170 0.459 175 H N -2.374 116.044 119.070 -1.087 0.000 2.562 175 H HA -0.134 3.543 4.556 -1.466 0.000 0.272 175 H C -0.070 174.705 175.328 -0.921 0.000 1.019 175 H CA 0.432 55.574 56.048 -1.510 0.000 1.160 175 H CB -0.470 28.047 29.762 -2.075 0.000 1.334 175 H HN 0.367 7.787 8.280 -1.116 0.190 0.611 176 A N -1.096 121.496 122.820 -0.379 0.000 2.067 176 A HA -0.092 4.252 4.320 0.040 0.000 0.217 176 A C -0.846 176.767 177.584 0.049 0.000 1.156 176 A CA 0.974 52.974 52.037 -0.063 0.000 0.683 176 A CB 0.977 19.940 19.000 -0.061 0.000 0.808 176 A HN -0.439 7.272 8.150 -0.379 0.211 0.455 177 L N -2.776 118.448 121.223 0.001 0.000 2.292 177 L HA 0.102 4.697 4.340 0.104 -0.192 0.284 177 L C 0.847 177.781 176.870 0.106 0.000 1.065 177 L CA -0.739 54.131 54.840 0.050 0.000 0.806 177 L CB 0.498 42.556 42.059 -0.001 0.000 1.175 177 L HN -0.873 7.238 8.230 -0.120 0.047 0.431 178 G N 2.950 111.845 108.800 0.158 0.000 2.553 178 G HA2 -0.359 3.684 3.960 0.139 0.000 0.242 178 G HA3 -0.359 3.723 3.960 0.203 0.000 0.242 178 G C -2.790 172.263 174.900 0.255 0.000 1.277 178 G CA 0.409 45.624 45.100 0.192 0.000 0.910 178 G HN 0.735 8.986 8.290 0.129 0.116 0.576 179 K N -1.895 118.581 120.400 0.127 0.000 2.580 179 K HA 0.086 4.135 4.320 -0.452 0.000 0.288 179 K C -2.804 173.459 176.600 -0.562 0.000 1.041 179 K CA -1.261 54.848 56.287 -0.296 0.000 0.855 179 K CB 2.768 35.077 32.500 -0.317 0.000 1.543 179 K HN -0.308 8.013 8.250 0.117 0.000 0.388 180 T N -1.770 112.335 114.554 -0.749 0.000 2.902 180 T HA 0.405 4.569 4.350 -0.310 0.000 0.283 180 T C -0.296 174.082 174.700 -0.536 0.000 1.009 180 T CA -1.638 60.178 62.100 -0.473 0.000 1.051 180 T CB 2.202 70.904 68.868 -0.277 0.000 0.999 180 T HN 1.095 8.719 8.240 -0.785 0.144 0.474 181 H N 4.710 123.777 119.070 -0.005 0.000 2.551 181 H HA 0.217 4.903 4.556 -0.033 -0.150 0.321 181 H C 0.343 175.675 175.328 0.006 0.000 1.028 181 H CA -0.910 55.132 56.048 -0.009 0.000 1.215 181 H CB 0.937 30.700 29.762 0.001 0.000 1.414 181 H HN 0.710 8.974 8.280 -0.027 0.000 0.480 182 L N 6.086 127.351 121.223 0.069 0.000 2.089 182 L HA -0.376 4.036 4.340 -0.004 -0.074 0.213 182 L C 1.459 178.347 176.870 0.030 0.000 1.079 182 L CA 3.770 58.622 54.840 0.020 0.000 0.758 182 L CB 0.390 42.441 42.059 -0.013 0.000 0.891 182 L HN 0.153 8.742 8.230 0.042 -0.334 0.433 183 K N -3.591 116.842 120.400 0.055 0.000 2.288 183 K HA -0.268 4.064 4.320 0.019 0.000 0.201 183 K C 0.988 177.620 176.600 0.054 0.000 1.048 183 K CA 2.576 58.887 56.287 0.039 0.000 0.956 183 K CB -0.820 31.699 32.500 0.032 0.000 0.746 183 K HN 0.154 8.431 8.250 0.077 0.019 0.461 184 N N -1.507 117.250 118.700 0.095 0.000 2.305 184 N HA -0.023 4.764 4.740 0.078 0.000 0.179 184 N C 0.313 175.887 175.510 0.106 0.000 1.019 184 N CA 2.228 55.342 53.050 0.106 0.000 0.869 184 N CB 1.191 39.777 38.487 0.165 0.000 1.000 184 N HN -0.163 8.150 8.380 0.134 0.147 0.431 185 S N -5.323 110.445 115.700 0.113 0.000 2.911 185 S HA 0.133 4.666 4.470 0.105 0.000 0.261 185 S C -0.040 174.568 174.600 0.013 0.000 1.021 185 S CA -0.827 57.449 58.200 0.125 0.000 1.222 185 S CB 2.001 65.352 63.200 0.251 0.000 1.171 185 S HN -0.435 7.941 8.310 0.110 0.000 0.669 186 G N -0.255 108.490 108.800 -0.092 0.000 2.199 186 G HA2 -0.340 3.484 3.960 -0.226 0.000 0.254 186 G HA3 -0.340 3.352 3.960 -0.446 0.000 0.254 186 G C -1.221 173.363 174.900 -0.527 0.000 0.982 186 G CA 0.696 45.600 45.100 -0.327 0.000 0.632 186 G HN -0.001 8.159 8.290 -0.031 0.111 0.529 187 Y N -1.871 118.419 120.300 -0.016 0.000 2.549 187 Y HA 0.140 4.658 4.550 -0.053 0.000 0.339 187 Y C -2.084 173.756 175.900 -0.100 0.000 1.053 187 Y CA -2.171 55.895 58.100 -0.055 0.000 1.105 187 Y CB 2.750 41.179 38.460 -0.051 0.000 1.258 187 Y HN -0.964 7.257 8.280 0.044 0.086 0.478 188 E N -0.324 119.891 120.200 0.025 0.000 2.291 188 E HA 0.211 4.692 4.350 -0.117 -0.201 0.276 188 E C -0.977 175.535 176.600 -0.148 0.000 0.896 188 E CA -1.328 55.023 56.400 -0.081 0.000 0.774 188 E CB 2.617 32.287 29.700 -0.050 0.000 1.227 188 E HN 0.138 8.540 8.360 0.070 0.000 0.413 189 G N 4.534 113.185 108.800 -0.248 0.000 2.340 189 G HA2 -0.127 3.737 3.960 -0.160 0.000 0.527 189 G HA3 -0.127 3.728 3.960 -0.175 0.000 0.527 189 G C -3.594 171.065 174.900 -0.402 0.000 1.381 189 G CA -0.339 44.623 45.100 -0.230 0.000 1.001 189 G HN 0.567 8.579 8.290 -0.307 0.094 0.626 190 P HA 0.473 4.704 4.420 -0.315 0.000 0.289 190 P C -0.173 177.067 177.300 -0.100 0.000 1.293 190 P CA -1.332 61.655 63.100 -0.189 0.000 0.897 190 P CB 1.831 33.570 31.700 0.065 0.000 1.166 191 W N -0.602 120.748 121.300 0.083 0.000 2.518 191 W HA 0.258 5.210 4.660 0.166 -0.192 0.273 191 W C 0.427 176.917 176.519 -0.047 0.000 1.247 191 W CA 1.506 58.910 57.345 0.099 0.000 1.288 191 W CB 1.304 30.829 29.460 0.108 0.000 1.107 191 W HN 0.256 8.669 8.180 0.388 0.000 0.586 192 G N -5.935 102.942 108.800 0.129 0.000 2.706 192 G HA2 0.296 3.485 3.960 -1.286 0.000 0.307 192 G HA3 0.296 4.252 3.960 -0.206 -0.120 0.307 192 G C -2.317 172.619 174.900 0.059 0.000 1.307 192 G CA -0.275 44.636 45.100 -0.315 0.000 0.790 192 G HN -0.994 7.419 8.290 0.262 0.034 0.503 193 A N -0.758 122.076 122.820 0.024 0.000 1.887 193 A HA 0.110 4.587 4.320 0.262 0.000 0.212 193 A C 0.838 178.488 177.584 0.109 0.000 1.198 193 A CA 1.713 53.855 52.037 0.176 0.000 0.628 193 A CB 1.203 20.316 19.000 0.188 0.000 0.847 193 A HN -0.113 8.323 8.150 -0.171 -0.389 0.449 194 A N -1.837 121.027 122.820 0.073 0.000 3.168 194 A HA 0.062 4.433 4.320 0.084 0.000 0.260 194 A C -0.525 177.116 177.584 0.095 0.000 1.598 194 A CA -1.291 50.794 52.037 0.080 0.000 1.285 194 A CB -1.588 17.451 19.000 0.065 0.000 1.149 194 A HN -0.200 8.307 8.150 0.043 -0.331 0.630 195 N N 1.390 120.155 118.700 0.107 0.000 2.503 195 N HA -0.336 4.663 4.740 0.136 -0.177 0.189 195 N C -0.151 175.422 175.510 0.105 0.000 1.048 195 N CA 2.393 55.514 53.050 0.118 0.000 0.905 195 N CB 0.196 38.755 38.487 0.119 0.000 0.951 195 N HN -0.102 8.299 8.380 0.108 0.043 0.446 196 N N -5.840 112.918 118.700 0.098 0.000 2.160 196 N HA 0.028 4.814 4.740 0.078 0.000 0.226 196 N C -1.209 174.363 175.510 0.103 0.000 1.256 196 N CA -0.609 52.492 53.050 0.086 0.000 0.890 196 N CB 1.345 39.876 38.487 0.072 0.000 1.116 196 N HN -0.310 8.050 8.380 0.098 0.079 0.517 197 V N 0.711 120.701 119.914 0.127 0.000 2.588 197 V HA 0.156 4.512 4.120 0.171 -0.134 0.304 197 V C -2.140 174.092 176.094 0.231 0.000 1.042 197 V CA -1.600 60.795 62.300 0.159 0.000 0.877 197 V CB 2.533 34.432 31.823 0.126 0.000 0.996 197 V HN -0.509 7.752 8.190 0.120 0.000 0.425 198 F N 9.234 129.235 119.950 0.084 0.000 2.468 198 F HA 0.112 4.679 4.527 0.068 0.000 0.356 198 F C -1.330 174.652 175.800 0.304 0.000 1.167 198 F CA -0.030 58.046 58.000 0.127 0.000 1.135 198 F CB -0.651 38.366 39.000 0.028 0.000 1.197 198 F HN -0.042 8.483 8.300 0.374 0.000 0.569 199 T N 4.054 118.514 114.554 -0.157 0.000 2.591 199 T HA 0.288 4.563 4.350 -0.125 0.000 0.274 199 T C -0.880 173.726 174.700 -0.156 0.000 0.945 199 T CA -2.226 59.796 62.100 -0.130 0.000 1.087 199 T CB 2.020 70.850 68.868 -0.062 0.000 1.416 199 T HN -0.507 7.639 8.240 -0.156 0.000 0.514 200 N N -2.680 115.983 118.700 -0.062 0.000 2.321 200 N HA 0.072 4.671 4.740 -0.235 0.000 0.242 200 N C 0.211 175.698 175.510 -0.038 0.000 1.141 200 N CA -0.088 52.934 53.050 -0.046 0.000 0.864 200 N CB -0.364 38.173 38.487 0.084 0.000 1.100 200 N HN 0.142 8.487 8.380 -0.058 0.000 0.510 201 E N 1.203 121.356 120.200 -0.079 0.000 2.097 201 E HA -0.433 3.885 4.350 -0.052 0.000 0.196 201 E C 0.927 177.465 176.600 -0.103 0.000 1.000 201 E CA 3.475 59.833 56.400 -0.070 0.000 0.804 201 E CB -0.096 29.565 29.700 -0.065 0.000 0.740 201 E HN -0.906 7.303 8.360 -0.094 0.094 0.454 202 F N -0.832 118.908 119.950 -0.350 0.000 2.039 202 F HA -0.437 3.916 4.527 -0.290 0.000 0.296 202 F C 1.405 176.948 175.800 -0.430 0.000 1.119 202 F CA 3.739 61.448 58.000 -0.485 0.000 1.211 202 F CB -0.419 38.058 39.000 -0.872 0.000 0.956 202 F HN 0.140 8.387 8.300 -0.086 0.002 0.496 203 Y N -4.555 115.577 120.300 -0.280 0.000 2.200 203 Y HA -0.356 3.939 4.550 -0.426 0.000 0.290 203 Y C 2.306 178.096 175.900 -0.183 0.000 1.137 203 Y CA 3.501 61.432 58.100 -0.282 0.000 1.163 203 Y CB -0.613 37.758 38.460 -0.148 0.000 0.988 203 Y HN -0.852 7.017 8.280 -0.684 0.000 0.518 204 L N -1.141 120.095 121.223 0.022 0.000 2.141 204 L HA -0.376 3.978 4.340 0.023 0.000 0.209 204 L C 2.305 179.177 176.870 0.004 0.000 1.094 204 L CA 2.665 57.511 54.840 0.010 0.000 0.763 204 L CB -0.496 41.565 42.059 0.003 0.000 0.908 204 L HN -0.407 7.761 8.230 0.022 0.075 0.437 205 N N -0.073 118.612 118.700 -0.025 0.000 2.106 205 N HA -0.253 4.531 4.740 0.073 0.000 0.188 205 N C 2.274 177.958 175.510 0.290 0.000 1.029 205 N CA 3.395 56.496 53.050 0.085 0.000 0.848 205 N CB -0.379 38.131 38.487 0.038 0.000 1.007 205 N HN 0.095 8.403 8.380 -0.088 0.019 0.423 206 L N 0.073 121.352 121.223 0.092 0.000 1.978 206 L HA -0.298 4.103 4.340 0.101 0.000 0.218 206 L C 1.783 178.773 176.870 0.200 0.000 1.075 206 L CA 3.326 58.181 54.840 0.024 0.000 0.767 206 L CB -0.101 41.725 42.059 -0.389 0.000 0.890 206 L HN -0.425 7.717 8.230 -0.147 0.000 0.434 207 L N -8.779 112.487 121.223 0.072 0.000 2.446 207 L HA 0.022 4.416 4.340 0.090 0.000 0.219 207 L C 1.055 177.971 176.870 0.077 0.000 1.116 207 L CA 2.090 56.968 54.840 0.063 0.000 0.844 207 L CB -0.122 41.938 42.059 0.001 0.000 0.970 207 L HN -0.555 7.681 8.230 0.010 0.000 0.457 208 N N -3.068 115.676 118.700 0.073 0.000 2.368 208 N HA 0.047 4.797 4.740 0.017 0.000 0.178 208 N C 0.439 175.936 175.510 -0.021 0.000 1.076 208 N CA 1.065 54.130 53.050 0.023 0.000 0.889 208 N CB 1.093 39.586 38.487 0.010 0.000 1.040 208 N HN -0.041 8.202 8.380 0.091 0.192 0.463 209 E N 0.362 120.533 120.200 -0.048 0.000 2.397 209 E HA -0.085 4.109 4.350 -0.261 0.000 0.254 209 E C -0.881 175.479 176.600 -0.400 0.000 1.231 209 E CA -0.113 56.078 56.400 -0.349 0.000 0.954 209 E CB 0.669 29.882 29.700 -0.810 0.000 1.024 209 E HN -0.320 7.982 8.360 0.078 0.106 0.481 210 D N 0.548 120.638 120.400 -0.517 0.000 2.461 210 D HA 0.117 4.701 4.640 -0.094 0.000 0.240 210 D C -1.132 174.961 176.300 -0.344 0.000 1.094 210 D CA -0.851 52.989 54.000 -0.266 0.000 0.868 210 D CB 0.256 40.956 40.800 -0.167 0.000 1.062 210 D HN 0.298 8.292 8.370 -0.627 0.000 0.530 211 W N 2.873 124.260 121.300 0.145 0.000 2.438 211 W HA 0.320 5.267 4.660 0.188 -0.174 0.324 211 W C -0.217 176.512 176.519 0.349 0.000 1.119 211 W CA -1.464 56.003 57.345 0.203 0.000 1.221 211 W CB 1.868 31.359 29.460 0.051 0.000 1.253 211 W HN 0.215 8.534 8.180 0.232 0.000 0.555 212 K N 1.902 122.634 120.400 0.554 0.000 2.378 212 K HA 0.366 4.871 4.320 0.309 0.000 0.252 212 K C -2.110 174.469 176.600 -0.035 0.000 0.931 212 K CA -1.378 55.065 56.287 0.261 0.000 0.794 212 K CB 3.379 35.940 32.500 0.101 0.000 1.181 212 K HN 0.512 9.087 8.250 0.541 0.000 0.425 213 L N 3.463 124.327 121.223 -0.598 0.000 2.379 213 L HA 0.672 4.462 4.340 -1.069 -0.091 0.269 213 L C -0.996 175.602 176.870 -0.453 0.000 1.084 213 L CA -0.407 53.805 54.840 -1.047 0.000 0.802 213 L CB 1.579 42.693 42.059 -1.575 0.000 1.175 213 L HN 0.260 8.198 8.230 -0.486 0.000 0.448 214 E N 2.267 122.258 120.200 -0.349 0.000 2.422 214 E HA 0.184 4.431 4.350 -0.171 0.000 0.280 214 E C -2.476 174.036 176.600 -0.147 0.000 1.091 214 E CA -1.078 55.209 56.400 -0.188 0.000 0.849 214 E CB 4.813 34.445 29.700 -0.113 0.000 1.353 214 E HN 1.109 9.124 8.360 -0.418 0.094 0.449 215 K N -0.439 119.899 120.400 -0.104 0.000 2.182 215 K HA 0.757 5.174 4.320 -0.085 -0.149 0.262 215 K C -0.224 176.336 176.600 -0.066 0.000 0.957 215 K CA -1.335 54.903 56.287 -0.083 0.000 0.842 215 K CB 1.317 33.770 32.500 -0.077 0.000 1.099 215 K HN 0.142 8.334 8.250 -0.097 0.000 0.438 216 N N 4.109 122.769 118.700 -0.067 0.000 2.514 216 N HA 0.144 4.853 4.740 -0.051 0.000 0.299 216 N C 0.041 175.510 175.510 -0.069 0.000 1.292 216 N CA -0.583 52.429 53.050 -0.062 0.000 0.963 216 N CB 0.556 39.003 38.487 -0.066 0.000 1.124 216 N HN 0.801 9.029 8.380 -0.075 0.106 0.580 217 D N -2.764 117.596 120.400 -0.066 0.000 2.333 217 D HA -0.063 4.545 4.640 -0.053 0.000 0.208 217 D C 0.170 176.429 176.300 -0.069 0.000 0.984 217 D CA 2.217 56.181 54.000 -0.059 0.000 0.873 217 D CB -0.111 40.660 40.800 -0.047 0.000 0.935 217 D HN 0.299 8.630 8.370 -0.065 0.000 0.521 218 A N -2.331 120.433 122.820 -0.094 0.000 2.208 218 A HA -0.025 4.245 4.320 -0.084 0.000 0.209 218 A C 0.257 177.773 177.584 -0.114 0.000 1.161 218 A CA 0.309 52.280 52.037 -0.110 0.000 0.782 218 A CB 0.438 19.342 19.000 -0.159 0.000 0.816 218 A HN -0.557 7.643 8.150 -0.104 -0.112 0.477 219 N N -5.238 113.398 118.700 -0.106 0.000 3.003 219 N HA -0.311 4.485 4.740 -0.079 -0.104 0.237 219 N C -1.579 173.867 175.510 -0.106 0.000 0.969 219 N CA 1.084 54.079 53.050 -0.091 0.000 0.941 219 N CB -0.716 37.728 38.487 -0.071 0.000 1.098 219 N HN -0.260 8.027 8.380 -0.103 0.032 0.563 220 N N -1.628 116.980 118.700 -0.153 0.000 2.482 220 N HA 0.212 4.889 4.740 -0.105 0.000 0.279 220 N C -1.724 173.739 175.510 -0.079 0.000 1.182 220 N CA 0.239 53.197 53.050 -0.153 0.000 0.969 220 N CB 2.220 40.485 38.487 -0.369 0.000 1.201 220 N HN -0.187 8.360 8.380 -0.182 -0.276 0.523 221 E N -1.494 118.697 120.200 -0.015 0.000 2.202 221 E HA 0.637 5.027 4.350 -0.079 -0.087 0.272 221 E C -1.124 175.505 176.600 0.048 0.000 0.951 221 E CA -0.883 55.488 56.400 -0.047 0.000 0.813 221 E CB 2.882 32.511 29.700 -0.118 0.000 1.151 221 E HN 0.417 8.787 8.360 0.016 0.000 0.398 222 Q N -1.309 118.451 119.800 -0.066 0.000 2.534 222 Q HA 0.344 4.685 4.340 0.003 0.000 0.290 222 Q C -2.116 173.756 176.000 -0.214 0.000 0.991 222 Q CA -1.559 54.230 55.803 -0.024 0.000 0.783 222 Q CB 3.007 31.827 28.738 0.136 0.000 1.470 222 Q HN 1.001 9.063 8.270 -0.143 0.122 0.406 223 W N -0.414 120.851 121.300 -0.057 0.000 2.331 223 W HA 0.313 5.075 4.660 -0.030 -0.120 0.306 223 W C -0.376 176.265 176.519 0.203 0.000 1.162 223 W CA -0.509 56.810 57.345 -0.042 0.000 1.232 223 W CB 1.137 30.387 29.460 -0.351 0.000 1.235 223 W HN -0.015 8.277 8.180 0.188 0.000 0.479 224 D N 3.828 124.516 120.400 0.480 0.000 2.350 224 D HA 0.775 5.870 4.640 0.488 -0.163 0.245 224 D C -0.682 175.834 176.300 0.359 0.000 1.036 224 D CA -0.561 53.682 54.000 0.406 0.000 0.848 224 D CB 3.938 44.823 40.800 0.142 0.000 1.307 224 D HN 0.999 9.476 8.370 0.358 0.108 0.469 225 S N 1.528 117.278 115.700 0.083 0.000 2.638 225 S HA 0.905 5.338 4.470 -0.416 -0.213 0.298 225 S C 1.735 176.186 174.600 -0.247 0.000 1.111 225 S CA -1.968 55.966 58.200 -0.442 0.000 1.027 225 S CB 3.356 65.899 63.200 -1.096 0.000 1.064 225 S HN 0.693 9.031 8.310 0.235 0.112 0.525 226 K N 2.880 123.134 120.400 -0.243 0.000 2.152 226 K HA -0.230 4.008 4.320 -0.138 0.000 0.206 226 K C 1.426 177.889 176.600 -0.228 0.000 1.048 226 K CA 2.386 58.564 56.287 -0.182 0.000 0.933 226 K CB -0.661 31.751 32.500 -0.147 0.000 0.721 226 K HN 0.573 8.655 8.250 -0.279 0.000 0.447 227 S N -0.996 114.512 115.700 -0.320 0.000 2.595 227 S HA -0.120 4.161 4.470 -0.315 0.000 0.235 227 S C 0.625 174.811 174.600 -0.691 0.000 0.974 227 S CA 0.602 58.529 58.200 -0.454 0.000 0.942 227 S CB 0.055 62.986 63.200 -0.448 0.000 0.766 227 S HN -0.194 7.888 8.310 -0.322 0.035 0.536 228 G N -1.216 107.275 108.800 -0.515 0.000 2.176 228 G HA2 -0.371 3.450 3.960 -0.232 0.000 0.232 228 G HA3 -0.371 3.340 3.960 -0.416 0.000 0.232 228 G C -0.489 174.203 174.900 -0.347 0.000 0.986 228 G CA 0.044 44.900 45.100 -0.406 0.000 0.643 228 G HN -0.530 7.452 8.290 -0.366 0.088 0.522 229 Y N -2.019 118.313 120.300 0.053 0.000 2.392 229 Y HA 0.157 4.882 4.550 0.081 -0.126 0.323 229 Y C -0.687 175.411 175.900 0.330 0.000 1.291 229 Y CA -1.691 56.516 58.100 0.177 0.000 1.345 229 Y CB 1.150 39.809 38.460 0.332 0.000 1.320 229 Y HN -0.744 7.049 8.280 -0.728 0.049 0.518 230 M N -4.190 115.661 119.600 0.418 0.000 2.619 230 M HA 1.100 6.069 4.480 0.428 -0.232 0.297 230 M C -1.317 174.954 176.300 -0.048 0.000 1.229 230 M CA -1.079 54.356 55.300 0.226 0.000 0.860 230 M CB 4.588 37.171 32.600 -0.028 0.000 1.741 230 M HN 0.015 8.480 8.290 0.291 0.000 0.462 231 M N -2.019 117.488 119.600 -0.154 0.000 2.386 231 M HA 0.404 4.916 4.480 0.052 0.000 0.293 231 M C -1.856 174.461 176.300 0.027 0.000 1.120 231 M CA -1.717 53.487 55.300 -0.159 0.000 0.909 231 M CB 3.659 35.889 32.600 -0.616 0.000 1.661 231 M HN 0.430 8.717 8.290 -0.004 0.000 0.452 232 L N 3.052 124.357 121.223 0.135 0.000 2.453 232 L HA 0.344 4.595 4.340 -0.148 0.000 0.261 232 L C -0.257 176.693 176.870 0.133 0.000 1.179 232 L CA -1.655 53.187 54.840 0.002 0.000 0.813 232 L CB -0.695 41.339 42.059 -0.042 0.000 1.110 232 L HN -0.027 8.636 8.230 0.379 -0.206 0.466 233 P HA -0.325 4.338 4.420 0.406 0.000 0.218 233 P C 1.181 178.592 177.300 0.185 0.000 1.165 233 P CA 3.293 66.542 63.100 0.248 0.000 0.922 233 P CB -0.184 31.636 31.700 0.201 0.000 0.794 234 T N -5.551 109.082 114.554 0.131 0.000 2.822 234 T HA -0.319 4.108 4.350 0.128 0.000 0.270 234 T C 1.131 175.879 174.700 0.080 0.000 1.064 234 T CA 2.911 65.082 62.100 0.118 0.000 1.131 234 T CB -0.759 68.183 68.868 0.124 0.000 0.858 234 T HN -0.100 8.199 8.240 0.099 0.000 0.483 235 D N 0.381 120.852 120.400 0.118 0.000 2.149 235 D HA -0.099 4.610 4.640 0.116 0.000 0.206 235 D C 2.039 178.317 176.300 -0.036 0.000 0.967 235 D CA 2.990 57.057 54.000 0.112 0.000 0.848 235 D CB 0.229 41.191 40.800 0.269 0.000 0.998 235 D HN 0.067 8.365 8.370 0.151 0.162 0.474 236 Y N 1.797 121.965 120.300 -0.221 0.000 2.193 236 Y HA -0.395 3.845 4.550 -0.517 0.000 0.285 236 Y C 1.855 177.607 175.900 -0.245 0.000 1.166 236 Y CA 2.958 60.810 58.100 -0.413 0.000 1.181 236 Y CB 0.067 38.099 38.460 -0.713 0.000 0.976 236 Y HN 0.081 8.421 8.280 0.100 0.000 0.520 237 S N -0.698 114.978 115.700 -0.039 0.000 2.465 237 S HA -0.322 4.319 4.470 -0.024 -0.185 0.241 237 S C 1.470 176.039 174.600 -0.052 0.000 1.000 237 S CA 2.744 60.938 58.200 -0.010 0.000 0.964 237 S CB -0.279 62.981 63.200 0.100 0.000 0.763 237 S HN 0.386 8.712 8.310 0.059 0.019 0.512 238 L N -0.857 120.277 121.223 -0.148 0.000 2.240 238 L HA -0.189 4.079 4.340 -0.119 0.000 0.211 238 L C 0.706 177.519 176.870 -0.094 0.000 1.106 238 L CA 2.368 57.121 54.840 -0.144 0.000 0.793 238 L CB 0.284 42.240 42.059 -0.171 0.000 0.927 238 L HN -0.419 7.506 8.230 -0.170 0.203 0.446 239 I N -8.778 111.627 120.570 -0.274 0.000 3.860 239 I HA 0.017 4.100 4.170 -0.145 0.000 0.319 239 I C 0.622 176.592 176.117 -0.245 0.000 1.279 239 I CA 0.167 61.301 61.300 -0.277 0.000 1.220 239 I CB 0.574 38.327 38.000 -0.412 0.000 1.027 239 I HN -0.352 7.477 8.210 -0.415 0.132 0.428 240 Q N -1.354 118.309 119.800 -0.228 0.000 2.389 240 Q HA -0.120 4.142 4.340 -0.130 0.000 0.204 240 Q C 0.273 176.264 176.000 -0.015 0.000 0.944 240 Q CA 1.395 57.127 55.803 -0.117 0.000 0.908 240 Q CB 0.561 29.255 28.738 -0.075 0.000 1.002 240 Q HN -0.637 7.371 8.270 -0.256 0.109 0.493 241 D N -0.036 120.391 120.400 0.046 0.000 2.317 241 D HA 0.375 5.030 4.640 0.025 0.000 0.234 241 D C -0.925 175.381 176.300 0.011 0.000 1.112 241 D CA -3.297 50.741 54.000 0.063 0.000 0.840 241 D CB 1.394 42.298 40.800 0.173 0.000 1.078 241 D HN -0.703 7.671 8.370 0.065 0.034 0.486 242 P HA -0.235 4.163 4.420 -0.036 0.000 0.218 242 P C 0.565 177.830 177.300 -0.059 0.000 1.146 242 P CA 2.082 65.157 63.100 -0.042 0.000 0.813 242 P CB 0.376 32.051 31.700 -0.042 0.000 0.778 243 K N -4.374 115.964 120.400 -0.103 0.000 2.242 243 K HA -0.007 4.248 4.320 -0.108 0.000 0.200 243 K C 1.873 178.405 176.600 -0.114 0.000 1.050 243 K CA 1.593 57.789 56.287 -0.151 0.000 0.981 243 K CB 0.162 32.516 32.500 -0.244 0.000 0.795 243 K HN -0.704 7.587 8.250 -0.120 -0.113 0.477 244 Y N -0.056 120.220 120.300 -0.040 0.000 2.206 244 Y HA -0.191 4.343 4.550 -0.027 0.000 0.292 244 Y C 1.765 177.628 175.900 -0.061 0.000 1.123 244 Y CA 1.324 59.403 58.100 -0.035 0.000 1.142 244 Y CB 0.242 38.690 38.460 -0.020 0.000 1.006 244 Y HN -0.727 7.595 8.280 -0.055 -0.075 0.518 245 L N -1.790 119.489 121.223 0.093 0.000 2.187 245 L HA -0.322 4.009 4.340 -0.016 0.000 0.213 245 L C 1.530 178.372 176.870 -0.047 0.000 1.100 245 L CA 3.303 58.139 54.840 -0.006 0.000 0.765 245 L CB -0.870 41.166 42.059 -0.038 0.000 0.904 245 L HN 0.334 8.622 8.230 0.098 0.000 0.437 246 S N -1.866 113.800 115.700 -0.058 0.000 2.478 246 S HA -0.152 4.260 4.470 -0.098 0.000 0.222 246 S C 2.178 176.679 174.600 -0.164 0.000 1.008 246 S CA 3.095 61.236 58.200 -0.099 0.000 0.928 246 S CB -0.164 62.982 63.200 -0.090 0.000 0.781 246 S HN -0.297 7.962 8.310 -0.041 0.027 0.518 247 I N 3.351 123.826 120.570 -0.159 0.000 2.406 247 I HA -0.258 3.630 4.170 -0.470 0.000 0.249 247 I C 1.278 177.140 176.117 -0.426 0.000 1.122 247 I CA 3.420 64.521 61.300 -0.332 0.000 1.431 247 I CB 0.038 37.934 38.000 -0.172 0.000 1.087 247 I HN -0.390 7.647 8.210 -0.073 0.130 0.424 248 V N 0.026 119.837 119.914 -0.172 0.000 2.407 248 V HA -0.525 3.488 4.120 -0.179 0.000 0.248 248 V C 1.975 177.957 176.094 -0.187 0.000 1.055 248 V CA 4.457 66.686 62.300 -0.119 0.000 1.049 248 V CB -0.948 30.891 31.823 0.026 0.000 0.662 248 V HN 0.232 8.380 8.190 -0.072 0.000 0.455 249 K N -1.850 118.447 120.400 -0.172 0.000 2.116 249 K HA -0.262 4.001 4.320 -0.095 0.000 0.203 249 K C 2.080 178.575 176.600 -0.175 0.000 1.052 249 K CA 3.034 59.240 56.287 -0.135 0.000 0.952 249 K CB -0.115 32.324 32.500 -0.102 0.000 0.729 249 K HN -0.731 7.295 8.250 -0.164 0.125 0.446 250 E N 0.708 120.742 120.200 -0.275 0.000 2.021 250 E HA -0.371 3.863 4.350 -0.195 0.000 0.200 250 E C 2.408 178.876 176.600 -0.219 0.000 1.015 250 E CA 3.236 59.458 56.400 -0.298 0.000 0.824 250 E CB -0.296 29.082 29.700 -0.538 0.000 0.762 250 E HN -0.690 7.486 8.360 -0.306 0.000 0.454 251 Y N -2.859 117.269 120.300 -0.287 0.000 2.241 251 Y HA -0.203 4.223 4.550 -0.207 0.000 0.286 251 Y C 1.933 177.649 175.900 -0.308 0.000 1.166 251 Y CA 1.578 59.427 58.100 -0.418 0.000 1.203 251 Y CB -0.690 37.130 38.460 -1.066 0.000 0.977 251 Y HN -0.251 7.565 8.280 -0.775 0.000 0.529 252 A N -4.594 118.175 122.820 -0.084 0.000 2.119 252 A HA -0.154 4.212 4.320 0.076 0.000 0.217 252 A C 0.677 178.262 177.584 0.003 0.000 1.153 252 A CA 1.370 53.413 52.037 0.010 0.000 0.692 252 A CB -0.191 18.816 19.000 0.011 0.000 0.799 252 A HN -0.583 7.360 8.150 -0.142 0.122 0.458 253 N N -2.679 116.013 118.700 -0.014 0.000 2.432 253 N HA -0.007 4.726 4.740 -0.012 0.000 0.174 253 N C -0.421 175.092 175.510 0.006 0.000 1.037 253 N CA 1.359 54.402 53.050 -0.012 0.000 0.892 253 N CB 1.735 40.204 38.487 -0.031 0.000 1.049 253 N HN -0.324 7.844 8.380 -0.035 0.191 0.442 254 D N -0.844 119.578 120.400 0.035 0.000 2.358 254 D HA 0.304 4.960 4.640 0.027 0.000 0.253 254 D C -1.029 175.340 176.300 0.115 0.000 1.288 254 D CA -0.881 53.154 54.000 0.059 0.000 0.950 254 D CB 1.474 42.310 40.800 0.059 0.000 1.197 254 D HN -0.206 8.089 8.370 0.044 0.101 0.550 255 Q N 5.172 124.996 119.800 0.040 0.000 2.124 255 Q HA -0.336 4.101 4.340 0.163 0.000 0.202 255 Q C 0.965 176.954 176.000 -0.019 0.000 0.977 255 Q CA 4.197 60.001 55.803 0.001 0.000 0.850 255 Q CB 0.154 28.774 28.738 -0.196 0.000 0.901 255 Q HN 0.618 8.907 8.270 0.031 0.000 0.429 256 D N -0.747 119.645 120.400 -0.014 0.000 2.104 256 D HA -0.313 4.340 4.640 0.022 0.000 0.194 256 D C 2.115 178.499 176.300 0.140 0.000 0.994 256 D CA 3.640 57.662 54.000 0.036 0.000 0.830 256 D CB -0.662 40.156 40.800 0.030 0.000 0.959 256 D HN 0.226 8.630 8.370 -0.015 -0.043 0.452 257 K N 0.489 120.990 120.400 0.169 0.000 2.009 257 K HA -0.280 4.157 4.320 0.195 0.000 0.210 257 K C 1.795 178.569 176.600 0.289 0.000 1.049 257 K CA 2.780 59.215 56.287 0.247 0.000 0.929 257 K CB -0.276 32.397 32.500 0.289 0.000 0.714 257 K HN -0.372 8.242 8.250 0.142 -0.279 0.440 258 F N 0.975 120.970 119.950 0.075 0.000 2.065 258 F HA -0.381 3.511 4.527 -1.057 0.000 0.298 258 F C 1.255 177.105 175.800 0.083 0.000 1.112 258 F CA 2.236 60.038 58.000 -0.332 0.000 1.212 258 F CB -0.424 38.401 39.000 -0.292 0.000 0.975 258 F HN -0.522 8.018 8.300 0.399 0.000 0.476 259 F N -0.972 118.769 119.950 -0.348 0.000 2.126 259 F HA -0.507 3.648 4.527 -0.619 0.000 0.299 259 F C 2.270 177.981 175.800 -0.149 0.000 1.096 259 F CA 3.248 61.036 58.000 -0.353 0.000 1.255 259 F CB -0.752 38.161 39.000 -0.144 0.000 0.997 259 F HN 0.768 9.047 8.300 0.271 0.184 0.479 260 K N -0.464 120.011 120.400 0.126 0.000 2.097 260 K HA -0.213 4.147 4.320 0.066 0.000 0.205 260 K C 3.266 179.899 176.600 0.055 0.000 1.050 260 K CA 2.978 59.314 56.287 0.083 0.000 0.938 260 K CB -0.191 32.368 32.500 0.099 0.000 0.718 260 K HN 0.446 8.612 8.250 0.171 0.187 0.442 261 D N 1.413 121.861 120.400 0.079 0.000 2.123 261 D HA -0.220 4.469 4.640 0.081 0.000 0.200 261 D C 1.830 178.158 176.300 0.047 0.000 0.976 261 D CA 3.925 57.982 54.000 0.095 0.000 0.831 261 D CB 0.069 40.995 40.800 0.209 0.000 0.974 261 D HN 0.341 8.582 8.370 0.097 0.188 0.469 262 F N 1.670 121.522 119.950 -0.164 0.000 2.091 262 F HA -0.481 4.025 4.527 -0.036 0.000 0.299 262 F C 1.024 176.772 175.800 -0.086 0.000 1.103 262 F CA 4.135 62.037 58.000 -0.163 0.000 1.228 262 F CB 0.042 38.782 39.000 -0.433 0.000 0.984 262 F HN 0.571 8.749 8.300 -0.019 0.111 0.477 263 S N -1.724 113.925 115.700 -0.084 0.000 2.368 263 S HA -0.387 4.004 4.470 -0.131 0.000 0.225 263 S C 1.945 176.478 174.600 -0.112 0.000 1.030 263 S CA 4.230 62.370 58.200 -0.099 0.000 0.999 263 S CB -0.706 62.480 63.200 -0.024 0.000 0.844 263 S HN -0.145 8.154 8.310 -0.019 0.000 0.459 264 K N 2.398 122.750 120.400 -0.080 0.000 2.026 264 K HA -0.338 3.944 4.320 -0.064 0.000 0.208 264 K C 2.093 178.633 176.600 -0.101 0.000 1.048 264 K CA 2.866 59.112 56.287 -0.069 0.000 0.929 264 K CB -0.143 32.340 32.500 -0.028 0.000 0.713 264 K HN -0.623 7.470 8.250 -0.053 0.125 0.439 265 A N 0.985 123.728 122.820 -0.128 0.000 1.877 265 A HA -0.071 4.373 4.320 -0.084 -0.174 0.216 265 A C 1.998 179.476 177.584 -0.176 0.000 1.186 265 A CA 2.868 54.822 52.037 -0.138 0.000 0.620 265 A CB -0.423 18.500 19.000 -0.129 0.000 0.822 265 A HN 0.446 8.418 8.150 -0.115 0.109 0.443 266 F N -0.436 119.150 119.950 -0.608 0.000 2.091 266 F HA -0.430 3.846 4.527 -0.418 0.000 0.299 266 F C 1.829 177.492 175.800 -0.229 0.000 1.103 266 F CA 2.847 60.526 58.000 -0.535 0.000 1.228 266 F CB 0.061 38.561 39.000 -0.834 0.000 0.984 266 F HN 0.868 8.707 8.300 -0.562 0.125 0.477 267 E N -0.970 119.115 120.200 -0.192 0.000 2.106 267 E HA -0.467 3.734 4.350 -0.248 0.000 0.192 267 E C 2.248 178.722 176.600 -0.211 0.000 0.984 267 E CA 3.248 59.521 56.400 -0.210 0.000 0.806 267 E CB -0.255 29.375 29.700 -0.117 0.000 0.750 267 E HN -0.288 7.994 8.360 -0.129 0.000 0.458 268 K N 0.060 120.362 120.400 -0.162 0.000 2.097 268 K HA -0.269 3.966 4.320 -0.142 0.000 0.206 268 K C 2.480 178.997 176.600 -0.139 0.000 1.049 268 K CA 2.969 59.176 56.287 -0.134 0.000 0.933 268 K CB -0.064 32.387 32.500 -0.081 0.000 0.717 268 K HN -0.355 7.725 8.250 -0.145 0.083 0.442 269 L N -1.386 119.759 121.223 -0.130 0.000 2.079 269 L HA -0.354 4.013 4.340 0.044 0.000 0.210 269 L C 2.166 178.963 176.870 -0.122 0.000 1.081 269 L CA 3.052 57.861 54.840 -0.053 0.000 0.752 269 L CB 0.083 42.157 42.059 0.026 0.000 0.896 269 L HN 0.425 8.364 8.230 -0.150 0.202 0.433 270 L N -3.826 117.243 121.223 -0.257 0.000 2.341 270 L HA -0.176 4.084 4.340 -0.134 0.000 0.214 270 L C 2.054 178.847 176.870 -0.128 0.000 1.115 270 L CA 1.871 56.592 54.840 -0.199 0.000 0.820 270 L CB 0.144 42.047 42.059 -0.259 0.000 0.944 270 L HN -0.577 7.316 8.230 -0.336 0.136 0.452 271 E N -2.510 117.598 120.200 -0.154 0.000 2.474 271 E HA -0.074 4.275 4.350 -0.003 0.000 0.194 271 E C -0.461 176.023 176.600 -0.194 0.000 1.041 271 E CA 0.570 56.916 56.400 -0.091 0.000 0.874 271 E CB 0.570 30.215 29.700 -0.092 0.000 0.914 271 E HN -0.517 7.731 8.360 -0.185 0.000 0.498 272 N N -0.104 118.363 118.700 -0.388 0.000 2.294 272 N HA -0.317 3.964 4.740 -0.764 0.000 0.263 272 N C 0.492 175.391 175.510 -1.019 0.000 1.281 272 N CA 2.380 54.917 53.050 -0.856 0.000 0.846 272 N CB 0.132 37.951 38.487 -1.112 0.000 1.061 272 N HN -0.800 7.392 8.380 -0.314 0.000 0.478 273 G N 0.037 108.301 108.800 -0.894 0.000 2.175 273 G HA2 -0.356 3.807 3.960 0.022 0.000 0.244 273 G HA3 -0.356 3.378 3.960 -0.378 0.000 0.244 273 G C -1.097 173.737 174.900 -0.109 0.000 0.982 273 G CA 0.221 45.114 45.100 -0.344 0.000 0.641 273 G HN 0.362 8.206 8.290 -0.743 0.000 0.527 274 I N 0.787 121.256 120.570 -0.168 0.000 2.404 274 I HA 0.103 4.228 4.170 -0.278 -0.122 0.293 274 I C -0.909 175.102 176.117 -0.175 0.000 0.992 274 I CA -1.052 60.121 61.300 -0.211 0.000 1.149 274 I CB 2.126 40.010 38.000 -0.192 0.000 1.315 274 I HN -0.663 7.374 8.210 -0.200 0.052 0.446 275 T N 8.368 122.760 114.554 -0.269 0.000 2.758 275 T HA 0.303 4.653 4.350 0.001 0.000 0.285 275 T C -1.296 173.232 174.700 -0.287 0.000 0.981 275 T CA -0.885 61.128 62.100 -0.145 0.000 0.965 275 T CB 1.266 70.072 68.868 -0.102 0.000 0.927 275 T HN 1.267 9.188 8.240 -0.324 0.124 0.448 276 F N 7.217 127.133 119.950 -0.057 0.000 2.371 276 F HA 0.294 4.800 4.527 -0.035 0.000 0.363 276 F C -1.165 174.610 175.800 -0.041 0.000 1.122 276 F CA -2.332 55.636 58.000 -0.053 0.000 1.129 276 F CB 0.214 39.161 39.000 -0.088 0.000 1.173 276 F HN 0.425 8.912 8.300 0.313 0.000 0.489 277 P HA -0.088 4.353 4.420 0.034 0.000 0.270 277 P C 0.339 177.678 177.300 0.065 0.000 1.221 277 P CA -0.563 62.570 63.100 0.054 0.000 0.788 277 P CB 0.911 32.632 31.700 0.036 0.000 0.904 278 K N -1.168 119.253 120.400 0.036 0.000 2.555 278 K HA -0.255 4.077 4.320 0.019 0.000 0.193 278 K C -0.228 176.381 176.600 0.016 0.000 1.032 278 K CA 1.495 57.794 56.287 0.020 0.000 1.004 278 K CB 0.057 32.562 32.500 0.007 0.000 0.804 278 K HN 0.337 8.603 8.250 0.027 0.000 0.496 279 D N -4.718 115.699 120.400 0.029 0.000 2.360 279 D HA -0.007 4.643 4.640 0.017 0.000 0.210 279 D C -0.306 176.018 176.300 0.041 0.000 1.047 279 D CA -0.441 53.576 54.000 0.028 0.000 0.854 279 D CB -0.587 40.231 40.800 0.031 0.000 0.936 279 D HN -0.483 7.830 8.370 0.036 0.079 0.514 280 A N 1.722 124.577 122.820 0.059 0.000 2.366 280 A HA 0.086 4.462 4.320 0.094 0.000 0.249 280 A C -1.284 176.305 177.584 0.007 0.000 1.084 280 A CA -1.299 50.785 52.037 0.079 0.000 0.794 280 A CB -0.486 18.620 19.000 0.176 0.000 1.034 280 A HN -0.703 7.443 8.150 0.067 0.044 0.491 281 P HA 0.061 4.445 4.420 -0.061 0.000 0.275 281 P C -0.125 176.985 177.300 -0.316 0.000 1.228 281 P CA -0.519 62.525 63.100 -0.092 0.000 0.786 281 P CB 0.841 32.580 31.700 0.065 0.000 0.927 282 S N 2.266 117.769 115.700 -0.328 0.000 2.559 282 S HA -0.031 4.222 4.470 -0.362 0.000 0.282 282 S C -1.121 173.044 174.600 -0.724 0.000 1.336 282 S CA -0.713 57.243 58.200 -0.407 0.000 1.037 282 S CB 0.036 63.065 63.200 -0.285 0.000 0.853 282 S HN 0.055 8.233 8.310 -0.221 0.000 0.523 283 P HA -0.128 3.916 4.420 -0.773 -0.088 0.267 283 P C -1.326 175.596 177.300 -0.630 0.000 1.200 283 P CA 0.141 62.851 63.100 -0.650 0.000 0.772 283 P CB 0.511 31.980 31.700 -0.386 0.000 0.855 284 F N 1.948 121.856 119.950 -0.070 0.000 2.379 284 F HA 0.107 4.506 4.527 -0.213 0.000 0.332 284 F C -0.166 175.504 175.800 -0.216 0.000 1.096 284 F CA -0.506 57.390 58.000 -0.173 0.000 1.105 284 F CB 1.586 40.458 39.000 -0.214 0.000 1.189 284 F HN 0.633 8.661 8.300 -0.291 0.098 0.515 285 I N 1.525 122.026 120.570 -0.114 0.000 2.382 285 I HA 0.125 4.322 4.170 0.044 0.000 0.285 285 I C -1.305 174.735 176.117 -0.130 0.000 1.007 285 I CA -1.607 59.650 61.300 -0.071 0.000 1.142 285 I CB 0.328 38.291 38.000 -0.061 0.000 1.289 285 I HN 0.238 8.353 8.210 -0.158 0.000 0.453 286 F N 7.226 127.267 119.950 0.152 0.000 2.371 286 F HA 0.331 5.018 4.527 0.266 0.000 0.329 286 F C 0.544 176.236 175.800 -0.181 0.000 1.107 286 F CA -0.957 57.014 58.000 -0.047 0.000 1.137 286 F CB 1.779 40.464 39.000 -0.525 0.000 1.214 286 F HN 0.290 8.732 8.300 0.236 0.000 0.536 287 K N 1.660 122.065 120.400 0.008 0.000 2.118 287 K HA 0.145 4.482 4.320 0.028 0.000 0.267 287 K C 0.169 176.719 176.600 -0.082 0.000 0.991 287 K CA -1.159 55.124 56.287 -0.005 0.000 0.916 287 K CB 0.952 33.490 32.500 0.064 0.000 1.041 287 K HN 0.197 8.866 8.250 0.109 -0.353 0.455 288 T N -1.621 112.968 114.554 0.058 0.000 2.788 288 T HA 0.061 4.674 4.350 0.334 -0.063 0.280 288 T C 0.439 175.243 174.700 0.174 0.000 0.984 288 T CA -1.372 60.839 62.100 0.186 0.000 0.972 288 T CB 1.943 70.923 68.868 0.186 0.000 1.039 288 T HN 0.033 8.604 8.240 0.069 -0.289 0.530 289 L N 0.142 121.486 121.223 0.201 0.000 2.023 289 L HA -0.182 4.244 4.340 0.143 0.000 0.205 289 L C 2.109 179.046 176.870 0.112 0.000 1.073 289 L CA 3.630 58.559 54.840 0.149 0.000 0.745 289 L CB -0.106 42.030 42.059 0.129 0.000 0.900 289 L HN 0.461 8.895 8.230 0.225 -0.069 0.435 290 E N -0.275 119.990 120.200 0.109 0.000 2.065 290 E HA -0.474 3.923 4.350 0.079 0.000 0.201 290 E C 2.498 179.146 176.600 0.080 0.000 1.016 290 E CA 3.635 60.089 56.400 0.089 0.000 0.818 290 E CB -0.453 29.301 29.700 0.090 0.000 0.749 290 E HN 0.270 8.703 8.360 0.122 0.000 0.453 291 E N -2.902 117.348 120.200 0.085 0.000 2.333 291 E HA -0.281 4.107 4.350 0.063 0.000 0.198 291 E C 1.733 178.373 176.600 0.068 0.000 1.007 291 E CA 1.892 58.334 56.400 0.071 0.000 0.845 291 E CB -0.012 29.729 29.700 0.069 0.000 0.766 291 E HN -0.515 7.897 8.360 0.087 0.000 0.507 292 Q N -2.645 117.200 119.800 0.076 0.000 2.201 292 Q HA -0.014 4.364 4.340 0.063 0.000 0.236 292 Q C 0.406 176.443 176.000 0.062 0.000 0.857 292 Q CA -0.570 55.275 55.803 0.070 0.000 1.025 292 Q CB -0.161 28.625 28.738 0.080 0.000 1.124 292 Q HN 0.111 8.236 8.270 0.087 0.197 0.473 293 G N -1.951 106.884 108.800 0.058 0.000 2.267 293 G HA2 -0.444 3.545 3.960 0.048 0.000 0.257 293 G HA3 -0.444 3.545 3.960 0.047 0.000 0.257 293 G C -0.400 174.533 174.900 0.053 0.000 0.998 293 G CA 0.727 45.857 45.100 0.051 0.000 0.620 293 G HN -0.179 8.068 8.290 0.060 0.079 0.529 294 L N 0.000 121.260 121.223 0.061 0.000 2.949 294 L HA 0.000 4.373 4.340 0.055 0.000 0.249 294 L CA 0.000 54.877 54.840 0.062 0.000 0.813 294 L CB 0.000 42.100 42.059 0.069 0.000 0.961 294 L HN 0.000 8.169 8.230 0.067 0.102 0.502