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 3mk7_1_K DATA FIRST_RESID 6 DATA SEQUENCE STAYSYKVVR QFAIMTVVWG IVGMGLGVFI AAQLAWPFLN FDLPWTSFGR DATA SEQUENCE LRPLHTNAVI FAFGGCALFA TSYYSVQRTC QTTLFAPKLA AFTFWGWQLV DATA SEQUENCE ILLAAISLPL GFTSSKEYAE LEWPIDILIT IVWVAYAVVF FGTLAKRKVK DATA SEQUENCE HIYVGNWFFG AFILTVAILH VVNNLEIPVT AMKSYSLYAG ATDAMVQWWY DATA SEQUENCE GHNAVGFFLT AGFLGIMYYF VPKQAERPVY SYRLSIVHFW ALITVYIWAG DATA SEQUENCE PHHLHYTALP DWAQSLGMVM SLILLAPSWG GMINGMMTLS GAWHKLRSDP DATA SEQUENCE ILRFLVVSLA FYGMSTFEGP MMAIKTVNAL SHYTDWTIGH VHAGALGWVA DATA SEQUENCE MVSIGALYHL VPKVFGREQM HSIGLINTHF WLATIGTVLY IASMWVNGIA DATA SEQUENCE QGLMWRAIND DGTLTYSFVE SLEASHPGFV VRMIGGAIFF AGMLVMAYNT DATA SEQUENCE WRTVQAAKPA EYDAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.526 174.600 -0.123 0.000 1.055 6 S CA 0.000 58.144 58.200 -0.094 0.000 1.107 6 S CB 0.000 63.160 63.200 -0.067 0.000 0.593 7 T N 1.559 116.028 114.554 -0.142 0.000 3.219 7 T HA 0.360 4.710 4.350 -0.000 0.000 0.264 7 T C 0.578 175.090 174.700 -0.313 0.000 1.178 7 T CA 0.713 62.700 62.100 -0.188 0.000 1.057 7 T CB -0.497 68.269 68.868 -0.171 0.000 0.919 7 T HN 0.540 nan 8.240 nan 0.000 0.545 8 A N 1.125 123.772 122.820 -0.288 0.000 2.409 8 A HA 0.515 4.835 4.320 -0.000 0.000 0.262 8 A C -0.287 177.105 177.584 -0.319 0.000 1.113 8 A CA -0.786 51.030 52.037 -0.367 0.000 0.790 8 A CB -0.224 18.619 19.000 -0.263 0.000 1.046 8 A HN 0.439 nan 8.150 nan 0.000 0.496 9 Y N 1.526 121.661 120.300 -0.275 0.000 2.712 9 Y HA 0.058 4.608 4.550 -0.000 0.000 0.333 9 Y C 1.479 177.267 175.900 -0.185 0.000 1.225 9 Y CA 0.667 58.626 58.100 -0.235 0.000 1.499 9 Y CB 0.451 38.742 38.460 -0.281 0.000 1.288 9 Y HN 0.594 nan 8.280 nan 0.000 0.575 10 S N 4.210 119.984 115.700 0.124 0.000 2.498 10 S HA 0.090 4.560 4.470 -0.000 0.000 0.314 10 S C 0.564 175.322 174.600 0.264 0.000 1.141 10 S CA -0.214 58.048 58.200 0.104 0.000 1.087 10 S CB -0.646 62.575 63.200 0.035 0.000 1.178 10 S HN 0.709 nan 8.310 nan 0.000 0.533 11 Y N 2.560 122.881 120.300 0.035 0.000 2.466 11 Y HA 0.029 4.579 4.550 -0.000 0.000 0.272 11 Y C 2.063 177.936 175.900 -0.045 0.000 1.169 11 Y CA -0.340 57.778 58.100 0.031 0.000 1.285 11 Y CB 0.311 38.796 38.460 0.043 0.000 1.078 11 Y HN 0.516 nan 8.280 nan 0.000 0.523 12 K N 0.958 121.411 120.400 0.087 0.000 2.009 12 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 12 K C 1.615 178.155 176.600 -0.100 0.000 1.049 12 K CA 2.077 58.346 56.287 -0.030 0.000 0.929 12 K CB -0.757 31.732 32.500 -0.018 0.000 0.714 12 K HN 0.091 nan 8.250 nan 0.000 0.440 13 V N 0.262 120.156 119.914 -0.034 0.000 2.307 13 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 13 V C 2.384 178.516 176.094 0.064 0.000 1.045 13 V CA 1.738 64.025 62.300 -0.021 0.000 1.024 13 V CB -0.589 31.330 31.823 0.159 0.000 0.651 13 V HN 0.167 nan 8.190 nan 0.000 0.449 14 V N -0.006 119.988 119.914 0.133 0.000 2.324 14 V HA -0.314 3.805 4.120 -0.000 0.000 0.250 14 V C 2.621 178.694 176.094 -0.035 0.000 1.060 14 V CA 2.427 64.792 62.300 0.108 0.000 1.042 14 V CB -0.873 30.965 31.823 0.025 0.000 0.650 14 V HN 0.452 nan 8.190 nan 0.000 0.450 15 R N -0.506 119.892 120.500 -0.169 0.000 2.073 15 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 15 R C 2.523 178.693 176.300 -0.217 0.000 1.134 15 R CA 1.987 57.910 56.100 -0.294 0.000 0.952 15 R CB -0.210 29.789 30.300 -0.501 0.000 0.850 15 R HN 0.619 nan 8.270 nan 0.000 0.433 16 Q N -0.695 118.861 119.800 -0.407 0.000 2.002 16 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 16 Q C 1.976 177.677 176.000 -0.498 0.000 0.988 16 Q CA 2.096 57.450 55.803 -0.749 0.000 0.843 16 Q CB -0.234 27.435 28.738 -1.782 0.000 0.908 16 Q HN 0.326 nan 8.270 nan 0.000 0.420 17 F N 0.436 120.195 119.950 -0.319 0.000 2.161 17 F HA -0.266 4.261 4.527 -0.000 0.000 0.300 17 F C 2.339 178.162 175.800 0.039 0.000 1.089 17 F CA 0.618 58.624 58.000 0.011 0.000 1.282 17 F CB -0.239 38.773 39.000 0.021 0.000 1.010 17 F HN 0.139 nan 8.300 nan 0.000 0.485 18 A N 0.654 123.575 122.820 0.167 0.000 1.845 18 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 18 A C 2.144 179.797 177.584 0.114 0.000 1.195 18 A CA 1.652 53.753 52.037 0.107 0.000 0.616 18 A CB -0.879 18.173 19.000 0.086 0.000 0.832 18 A HN 0.223 nan 8.150 nan 0.000 0.443 19 I N -0.429 120.212 120.570 0.118 0.000 2.118 19 I HA -0.259 3.910 4.170 -0.000 0.000 0.241 19 I C 2.547 178.703 176.117 0.064 0.000 1.070 19 I CA 1.573 62.925 61.300 0.088 0.000 1.327 19 I CB -1.270 36.790 38.000 0.099 0.000 1.034 19 I HN 0.269 nan 8.210 nan 0.000 0.405 20 M N 0.111 119.777 119.600 0.110 0.000 2.213 20 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 20 M C 2.268 178.727 176.300 0.265 0.000 1.062 20 M CA 1.453 56.833 55.300 0.133 0.000 1.105 20 M CB -1.729 31.088 32.600 0.363 0.000 1.385 20 M HN 0.259 nan 8.290 nan 0.000 0.417 21 T N 0.551 115.294 114.554 0.315 0.000 2.746 21 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 21 T C 2.051 176.963 174.700 0.354 0.000 1.039 21 T CA 1.428 63.732 62.100 0.341 0.000 1.142 21 T CB -0.320 68.643 68.868 0.158 0.000 0.866 21 T HN 0.187 nan 8.240 nan 0.000 0.444 22 V N 1.186 121.209 119.914 0.183 0.000 2.358 22 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 22 V C 2.676 178.816 176.094 0.076 0.000 1.047 22 V CA 1.121 63.493 62.300 0.120 0.000 1.035 22 V CB -0.769 31.062 31.823 0.013 0.000 0.658 22 V HN 0.306 nan 8.190 nan 0.000 0.452 23 V N -0.891 119.006 119.914 -0.027 0.000 2.255 23 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 23 V C 2.157 178.177 176.094 -0.125 0.000 1.051 23 V CA 2.411 64.592 62.300 -0.197 0.000 1.018 23 V CB -0.849 30.703 31.823 -0.451 0.000 0.641 23 V HN 0.634 nan 8.190 nan 0.000 0.445 24 W N 0.334 121.762 121.300 0.213 0.000 2.402 24 W HA 0.045 4.705 4.660 -0.000 0.000 0.286 24 W C 2.527 179.199 176.519 0.255 0.000 1.221 24 W CA 0.686 58.177 57.345 0.243 0.000 1.257 24 W CB -0.894 28.743 29.460 0.295 0.000 1.120 24 W HN 0.306 nan 8.180 nan 0.000 0.551 25 G N 1.435 110.533 108.800 0.496 0.000 2.553 25 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 25 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 25 G C 1.328 176.301 174.900 0.122 0.000 1.195 25 G CA 1.686 46.851 45.100 0.108 0.000 0.779 25 G HN 0.057 nan 8.290 nan 0.000 0.577 26 I N 0.743 121.401 120.570 0.147 0.000 2.069 26 I HA -0.177 3.993 4.170 -0.000 0.000 0.237 26 I C 3.034 179.357 176.117 0.344 0.000 1.053 26 I CA 1.074 62.499 61.300 0.209 0.000 1.311 26 I CB -1.433 36.615 38.000 0.081 0.000 1.030 26 I HN 0.062 nan 8.210 nan 0.000 0.398 27 V N 1.483 121.563 119.914 0.276 0.000 2.282 27 V HA -0.250 3.870 4.120 -0.000 0.000 0.249 27 V C 2.719 178.998 176.094 0.308 0.000 1.057 27 V CA 2.249 64.727 62.300 0.297 0.000 1.032 27 V CB -1.612 30.447 31.823 0.392 0.000 0.645 27 V HN 0.582 nan 8.190 nan 0.000 0.447 28 G N -0.684 108.320 108.800 0.339 0.000 2.453 28 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 28 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 28 G C 1.604 176.701 174.900 0.328 0.000 1.201 28 G CA 1.168 46.447 45.100 0.297 0.000 0.784 28 G HN 0.449 nan 8.290 nan 0.000 0.545 29 M N 0.948 120.719 119.600 0.285 0.000 2.229 29 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 29 M C 2.783 179.185 176.300 0.171 0.000 1.063 29 M CA 1.079 56.563 55.300 0.306 0.000 1.114 29 M CB -0.338 32.485 32.600 0.371 0.000 1.387 29 M HN 0.290 nan 8.290 nan 0.000 0.420 30 G N 0.855 109.727 108.800 0.120 0.000 2.480 30 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 30 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 30 G C 1.498 176.347 174.900 -0.084 0.000 1.200 30 G CA 0.576 45.512 45.100 -0.274 0.000 0.782 30 G HN 0.322 nan 8.290 nan 0.000 0.554 31 L N 0.800 122.072 121.223 0.082 0.000 2.021 31 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 31 L C 3.174 180.091 176.870 0.078 0.000 1.074 31 L CA 1.385 56.314 54.840 0.148 0.000 0.760 31 L CB -0.760 41.427 42.059 0.213 0.000 0.889 31 L HN 0.378 nan 8.230 nan 0.000 0.433 32 G N -0.632 108.158 108.800 -0.016 0.000 2.514 32 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 32 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 32 G C 1.542 176.331 174.900 -0.185 0.000 1.198 32 G CA 1.141 45.997 45.100 -0.406 0.000 0.780 32 G HN 0.242 nan 8.290 nan 0.000 0.565 33 V N 0.411 120.265 119.914 -0.100 0.000 2.282 33 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 33 V C 2.357 178.432 176.094 -0.031 0.000 1.057 33 V CA 2.091 64.338 62.300 -0.089 0.000 1.032 33 V CB -0.674 31.039 31.823 -0.183 0.000 0.645 33 V HN 0.362 nan 8.190 nan 0.000 0.447 34 F N 1.411 121.283 119.950 -0.130 0.000 2.075 34 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 34 F C 2.237 178.005 175.800 -0.052 0.000 1.113 34 F CA 2.216 60.174 58.000 -0.071 0.000 1.218 34 F CB -0.423 38.554 39.000 -0.039 0.000 0.984 34 F HN 0.254 nan 8.300 nan 0.000 0.472 35 I N -0.875 119.647 120.570 -0.080 0.000 2.454 35 I HA -0.069 4.101 4.170 -0.000 0.000 0.254 35 I C 2.247 178.305 176.117 -0.098 0.000 1.156 35 I CA 1.449 62.706 61.300 -0.072 0.000 1.433 35 I CB -1.227 36.773 38.000 0.001 0.000 1.082 35 I HN 0.111 nan 8.210 nan 0.000 0.432 36 A N 1.579 124.293 122.820 -0.177 0.000 1.902 36 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 36 A C 2.577 179.936 177.584 -0.374 0.000 1.181 36 A CA 1.800 53.675 52.037 -0.271 0.000 0.623 36 A CB -0.972 17.878 19.000 -0.250 0.000 0.818 36 A HN 0.598 nan 8.150 nan 0.000 0.443 37 A N -0.788 121.853 122.820 -0.297 0.000 1.930 37 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 37 A C 2.091 179.464 177.584 -0.351 0.000 1.175 37 A CA 1.469 53.369 52.037 -0.228 0.000 0.627 37 A CB -0.504 18.508 19.000 0.019 0.000 0.815 37 A HN 0.647 nan 8.150 nan 0.000 0.443 38 Q N -0.417 119.087 119.800 -0.493 0.000 2.124 38 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 38 Q C 1.970 177.664 176.000 -0.511 0.000 0.977 38 Q CA 1.351 56.852 55.803 -0.503 0.000 0.850 38 Q CB -0.335 28.149 28.738 -0.423 0.000 0.901 38 Q HN 0.669 nan 8.270 nan 0.000 0.429 39 L N -0.116 120.714 121.223 -0.655 0.000 2.191 39 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 39 L C 2.323 178.752 176.870 -0.736 0.000 1.103 39 L CA 0.830 55.133 54.840 -0.893 0.000 0.769 39 L CB -0.385 40.907 42.059 -1.279 0.000 0.908 39 L HN 0.222 nan 8.230 nan 0.000 0.438 40 A N -1.168 121.213 122.820 -0.732 0.000 1.878 40 A HA -0.073 4.247 4.320 -0.000 0.000 0.213 40 A C 0.670 177.896 177.584 -0.598 0.000 1.192 40 A CA 0.524 52.019 52.037 -0.904 0.000 0.619 40 A CB 0.026 17.863 19.000 -1.938 0.000 0.837 40 A HN 0.415 nan 8.150 nan 0.000 0.446 41 W N -0.911 120.356 121.300 -0.054 0.000 2.516 41 W HA 0.397 5.057 4.660 -0.000 0.000 0.293 41 W C -2.830 173.589 176.519 -0.166 0.000 1.006 41 W CA -2.227 55.136 57.345 0.030 0.000 1.483 41 W CB 0.321 29.880 29.460 0.166 0.000 1.316 41 W HN 0.199 nan 8.180 nan 0.000 0.411 42 P HA -0.209 nan 4.420 nan 0.000 0.225 42 P C 1.600 178.823 177.300 -0.130 0.000 1.148 42 P CA 1.242 64.281 63.100 -0.100 0.000 0.779 42 P CB -0.212 31.465 31.700 -0.038 0.000 0.780 43 F N -1.175 118.725 119.950 -0.084 0.000 2.333 43 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 43 F C 1.457 177.024 175.800 -0.388 0.000 1.083 43 F CA 0.919 58.842 58.000 -0.129 0.000 1.395 43 F CB -1.589 37.384 39.000 -0.045 0.000 1.056 43 F HN -0.227 nan 8.300 nan 0.000 0.529 44 L N 0.949 121.256 121.223 -1.526 0.000 2.633 44 L HA -0.097 4.243 4.340 -0.000 0.000 0.235 44 L C 1.906 177.988 176.870 -1.313 0.000 1.163 44 L CA 0.344 54.132 54.840 -1.753 0.000 0.859 44 L CB -0.917 40.361 42.059 -1.303 0.000 0.973 44 L HN 0.296 nan 8.230 nan 0.000 0.451 45 N N 0.623 118.905 118.700 -0.697 0.000 2.331 45 N HA -0.110 4.630 4.740 -0.000 0.000 0.180 45 N C 0.674 176.151 175.510 -0.056 0.000 1.019 45 N CA 0.822 53.711 53.050 -0.269 0.000 0.881 45 N CB 0.130 38.534 38.487 -0.140 0.000 0.972 45 N HN 0.253 nan 8.380 nan 0.000 0.435 46 F N 0.231 120.213 119.950 0.053 0.000 2.988 46 F HA -0.266 4.261 4.527 -0.000 0.000 0.287 46 F C -0.252 175.579 175.800 0.052 0.000 0.781 46 F CA 0.296 58.349 58.000 0.089 0.000 1.221 46 F CB -2.010 37.062 39.000 0.119 0.000 1.392 46 F HN 0.003 nan 8.300 nan 0.000 0.425 47 D N -0.253 120.236 120.400 0.148 0.000 2.733 47 D HA -0.189 4.451 4.640 -0.000 0.000 0.232 47 D C -0.362 175.943 176.300 0.009 0.000 1.161 47 D CA 0.999 55.037 54.000 0.064 0.000 0.653 47 D CB -0.690 40.153 40.800 0.072 0.000 1.052 47 D HN 0.149 nan 8.370 nan 0.000 0.424 48 L N 0.192 121.406 121.223 -0.015 0.000 2.365 48 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 48 L C -1.203 175.418 176.870 -0.414 0.000 1.000 48 L CA -2.007 52.700 54.840 -0.221 0.000 0.819 48 L CB 1.640 43.657 42.059 -0.070 0.000 1.284 48 L HN -0.308 nan 8.230 nan 0.000 0.418 49 P HA -0.154 nan 4.420 nan 0.000 0.217 49 P C 0.773 177.781 177.300 -0.485 0.000 1.150 49 P CA 1.587 64.259 63.100 -0.712 0.000 0.832 49 P CB 0.003 31.093 31.700 -1.016 0.000 0.787 50 W N 0.555 121.876 121.300 0.036 0.000 2.905 50 W HA 0.172 4.832 4.660 -0.000 0.000 0.251 50 W C 1.378 177.940 176.519 0.071 0.000 1.305 50 W CA 1.196 58.559 57.345 0.031 0.000 1.465 50 W CB -1.759 27.712 29.460 0.018 0.000 1.122 50 W HN 0.004 nan 8.180 nan 0.000 0.659 51 T N -2.896 111.775 114.554 0.196 0.000 3.040 51 T HA 0.195 4.545 4.350 -0.000 0.000 0.266 51 T C 0.880 175.720 174.700 0.234 0.000 1.005 51 T CA 0.154 62.426 62.100 0.287 0.000 0.906 51 T CB -0.612 68.505 68.868 0.416 0.000 1.082 51 T HN 0.028 nan 8.240 nan 0.000 0.531 52 S N 0.599 116.361 115.700 0.104 0.000 2.585 52 S HA 0.335 4.805 4.470 -0.000 0.000 0.273 52 S C 0.879 175.545 174.600 0.110 0.000 1.339 52 S CA -0.772 57.474 58.200 0.077 0.000 1.028 52 S CB 0.348 63.553 63.200 0.009 0.000 0.906 52 S HN 0.226 nan 8.310 nan 0.000 0.528 53 F N 3.060 122.986 119.950 -0.040 0.000 2.095 53 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 53 F C 2.295 178.090 175.800 -0.009 0.000 1.104 53 F CA 2.206 60.179 58.000 -0.046 0.000 1.232 53 F CB -1.062 37.874 39.000 -0.106 0.000 0.987 53 F HN 0.789 nan 8.300 nan 0.000 0.475 54 G N 0.160 109.026 108.800 0.111 0.000 2.469 54 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 54 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 54 G C 1.816 176.680 174.900 -0.061 0.000 1.136 54 G CA 0.958 46.075 45.100 0.030 0.000 0.759 54 G HN 0.355 nan 8.290 nan 0.000 0.562 55 R N -0.540 119.935 120.500 -0.041 0.000 2.112 55 R HA 0.277 4.617 4.340 -0.000 0.000 0.216 55 R C 2.569 178.850 176.300 -0.033 0.000 1.080 55 R CA 0.158 56.242 56.100 -0.027 0.000 0.996 55 R CB -0.354 29.951 30.300 0.008 0.000 0.902 55 R HN 0.310 nan 8.270 nan 0.000 0.449 56 L N 0.447 121.644 121.223 -0.044 0.000 2.141 56 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 56 L C 2.743 179.557 176.870 -0.094 0.000 1.094 56 L CA 0.969 55.799 54.840 -0.016 0.000 0.763 56 L CB -0.412 41.690 42.059 0.071 0.000 0.908 56 L HN 0.178 nan 8.230 nan 0.000 0.437 57 R N 0.599 120.916 120.500 -0.306 0.000 2.122 57 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 57 R C -0.446 175.821 176.300 -0.056 0.000 1.129 57 R CA 2.386 58.301 56.100 -0.309 0.000 0.925 57 R CB -1.279 28.707 30.300 -0.524 0.000 0.850 57 R HN 0.256 nan 8.270 nan 0.000 0.431 58 P HA -0.168 nan 4.420 nan 0.000 0.222 58 P C 1.484 178.800 177.300 0.025 0.000 1.147 58 P CA 1.131 64.224 63.100 -0.012 0.000 0.790 58 P CB -0.121 31.561 31.700 -0.031 0.000 0.780 59 L N -0.587 120.655 121.223 0.032 0.000 1.994 59 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 59 L C 2.877 179.806 176.870 0.100 0.000 1.071 59 L CA 2.032 56.906 54.840 0.058 0.000 0.745 59 L CB -1.013 41.087 42.059 0.067 0.000 0.892 59 L HN 0.076 nan 8.230 nan 0.000 0.431 60 H N -0.597 118.502 119.070 0.048 0.000 2.289 60 H HA -0.234 4.322 4.556 -0.000 0.000 0.294 60 H C 2.081 177.471 175.328 0.103 0.000 1.095 60 H CA 2.680 58.777 56.048 0.081 0.000 1.256 60 H CB -0.521 29.285 29.762 0.073 0.000 1.359 60 H HN 0.168 nan 8.280 nan 0.000 0.487 61 T N 0.329 114.819 114.554 -0.107 0.000 2.607 61 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 61 T C 1.955 176.657 174.700 0.002 0.000 1.049 61 T CA 1.792 63.843 62.100 -0.082 0.000 1.162 61 T CB -0.350 68.574 68.868 0.094 0.000 0.863 61 T HN 0.511 nan 8.240 nan 0.000 0.424 62 N N 0.475 119.232 118.700 0.096 0.000 2.142 62 N HA -0.037 4.703 4.740 -0.000 0.000 0.186 62 N C 2.232 177.814 175.510 0.120 0.000 1.023 62 N CA 1.080 54.257 53.050 0.213 0.000 0.852 62 N CB -0.210 38.368 38.487 0.152 0.000 0.998 62 N HN 0.367 nan 8.380 nan 0.000 0.424 63 A N 0.981 123.824 122.820 0.038 0.000 1.908 63 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 63 A C 2.421 180.077 177.584 0.120 0.000 1.181 63 A CA 1.311 53.371 52.037 0.039 0.000 0.627 63 A CB -0.811 18.249 19.000 0.100 0.000 0.818 63 A HN 0.160 nan 8.150 nan 0.000 0.445 64 V N -0.607 119.327 119.914 0.033 0.000 2.488 64 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 64 V C 2.233 178.404 176.094 0.129 0.000 1.046 64 V CA 1.679 64.016 62.300 0.062 0.000 1.053 64 V CB -0.212 31.494 31.823 -0.196 0.000 0.679 64 V HN 0.568 nan 8.190 nan 0.000 0.458 65 I N -1.480 119.054 120.570 -0.060 0.000 2.368 65 I HA -0.073 4.097 4.170 -0.000 0.000 0.238 65 I C 2.028 178.039 176.117 -0.177 0.000 1.076 65 I CA 1.436 62.580 61.300 -0.260 0.000 1.397 65 I CB -0.259 37.304 38.000 -0.728 0.000 1.141 65 I HN 0.225 nan 8.210 nan 0.000 0.430 66 F N 0.651 120.659 119.950 0.096 0.000 2.335 66 F HA 0.066 4.593 4.527 -0.000 0.000 0.296 66 F C 2.411 178.489 175.800 0.463 0.000 1.091 66 F CA 0.927 59.105 58.000 0.296 0.000 1.399 66 F CB -0.813 38.228 39.000 0.068 0.000 1.067 66 F HN -0.029 nan 8.300 nan 0.000 0.520 67 A N 0.057 123.065 122.820 0.313 0.000 1.835 67 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 67 A C 2.011 179.870 177.584 0.458 0.000 1.210 67 A CA 1.086 53.211 52.037 0.145 0.000 0.605 67 A CB -1.279 17.515 19.000 -0.344 0.000 0.860 67 A HN 0.303 nan 8.150 nan 0.000 0.447 68 F N 1.066 121.210 119.950 0.324 0.000 2.022 68 F HA 0.081 4.608 4.527 -0.000 0.000 0.293 68 F C 2.379 178.378 175.800 0.332 0.000 1.142 68 F CA 1.859 60.066 58.000 0.345 0.000 1.177 68 F CB -0.971 38.181 39.000 0.254 0.000 0.982 68 F HN 0.195 nan 8.300 nan 0.000 0.473 69 G N -0.244 108.614 108.800 0.096 0.000 2.476 69 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 69 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 69 G C 1.897 176.940 174.900 0.238 0.000 1.164 69 G CA 0.909 46.093 45.100 0.141 0.000 0.768 69 G HN 0.731 nan 8.290 nan 0.000 0.560 70 G N 0.173 109.286 108.800 0.521 0.000 2.514 70 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 70 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 70 G C 1.901 176.931 174.900 0.216 0.000 1.198 70 G CA 1.420 46.858 45.100 0.562 0.000 0.780 70 G HN 0.463 nan 8.290 nan 0.000 0.565 71 C N 0.918 120.452 119.300 0.390 0.000 2.425 71 C HA 0.193 4.653 4.460 -0.000 0.000 0.277 71 C C 3.549 178.555 174.990 0.027 0.000 1.280 71 C CA 0.708 59.937 59.018 0.351 0.000 1.744 71 C CB -1.030 27.100 27.740 0.650 0.000 1.989 71 C HN 0.592 nan 8.230 nan 0.000 0.491 72 A N 0.267 123.022 122.820 -0.108 0.000 1.883 72 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 72 A C 1.972 179.310 177.584 -0.411 0.000 1.186 72 A CA 1.617 53.487 52.037 -0.277 0.000 0.624 72 A CB -0.591 18.168 19.000 -0.402 0.000 0.822 72 A HN 0.439 nan 8.150 nan 0.000 0.444 73 L N -1.654 119.231 121.223 -0.563 0.000 2.046 73 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 73 L C 2.363 178.767 176.870 -0.777 0.000 1.077 73 L CA 1.521 55.907 54.840 -0.756 0.000 0.747 73 L CB -1.504 39.975 42.059 -0.967 0.000 0.896 73 L HN 0.458 nan 8.230 nan 0.000 0.432 74 F N -0.435 118.936 119.950 -0.966 0.000 2.051 74 F HA -0.255 4.272 4.527 -0.000 0.000 0.296 74 F C 2.507 177.726 175.800 -0.970 0.000 1.122 74 F CA 1.514 58.647 58.000 -1.444 0.000 1.201 74 F CB -0.847 36.648 39.000 -2.509 0.000 0.978 74 F HN 0.092 nan 8.300 nan 0.000 0.472 75 A N -0.463 122.128 122.820 -0.382 0.000 1.892 75 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 75 A C 2.194 179.725 177.584 -0.088 0.000 1.188 75 A CA 2.530 54.515 52.037 -0.087 0.000 0.631 75 A CB -1.377 17.623 19.000 -0.002 0.000 0.822 75 A HN 0.385 nan 8.150 nan 0.000 0.447 76 T N 0.283 114.734 114.554 -0.172 0.000 2.701 76 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 76 T C 2.444 177.059 174.700 -0.142 0.000 1.040 76 T CA 2.214 64.296 62.100 -0.029 0.000 1.147 76 T CB -0.490 68.360 68.868 -0.029 0.000 0.865 76 T HN 0.814 nan 8.240 nan 0.000 0.426 77 S N 0.881 116.268 115.700 -0.522 0.000 2.356 77 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 77 S C 1.927 176.391 174.600 -0.226 0.000 1.032 77 S CA 1.058 58.746 58.200 -0.854 0.000 1.005 77 S CB -1.230 61.350 63.200 -1.032 0.000 0.867 77 S HN 0.676 nan 8.310 nan 0.000 0.449 78 Y N -0.079 120.128 120.300 -0.154 0.000 2.224 78 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 78 Y C 2.628 178.483 175.900 -0.075 0.000 1.146 78 Y CA 1.299 59.373 58.100 -0.043 0.000 1.182 78 Y CB -0.377 38.112 38.460 0.049 0.000 0.983 78 Y HN 0.343 nan 8.280 nan 0.000 0.524 79 Y N 0.181 120.454 120.300 -0.045 0.000 2.109 79 Y HA -0.289 4.261 4.550 -0.000 0.000 0.285 79 Y C 2.892 178.570 175.900 -0.370 0.000 1.131 79 Y CA 1.647 59.633 58.100 -0.189 0.000 1.121 79 Y CB -0.854 37.512 38.460 -0.157 0.000 0.987 79 Y HN 0.004 nan 8.280 nan 0.000 0.495 80 S N -0.751 114.732 115.700 -0.362 0.000 2.359 80 S HA -0.243 4.227 4.470 -0.000 0.000 0.223 80 S C 2.212 176.511 174.600 -0.501 0.000 1.039 80 S CA 1.782 59.569 58.200 -0.689 0.000 1.042 80 S CB -1.192 61.808 63.200 -0.334 0.000 0.915 80 S HN 0.429 nan 8.310 nan 0.000 0.439 81 V N 1.439 121.166 119.914 -0.313 0.000 2.287 81 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 81 V C 2.539 178.453 176.094 -0.300 0.000 1.053 81 V CA 2.556 64.689 62.300 -0.278 0.000 1.027 81 V CB -0.777 30.834 31.823 -0.353 0.000 0.646 81 V HN 0.623 nan 8.190 nan 0.000 0.447 82 Q N -0.694 118.917 119.800 -0.315 0.000 2.030 82 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 82 Q C 2.431 178.171 176.000 -0.433 0.000 0.986 82 Q CA 2.331 57.954 55.803 -0.299 0.000 0.843 82 Q CB -0.205 28.354 28.738 -0.298 0.000 0.904 82 Q HN 0.620 nan 8.270 nan 0.000 0.420 83 R N -0.657 119.392 120.500 -0.751 0.000 2.073 83 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 83 R C 2.347 178.480 176.300 -0.277 0.000 1.120 83 R CA 1.435 57.142 56.100 -0.655 0.000 0.967 83 R CB -0.550 29.277 30.300 -0.787 0.000 0.862 83 R HN 0.130 nan 8.270 nan 0.000 0.436 84 T N 0.113 114.494 114.554 -0.288 0.000 2.977 84 T HA -0.099 4.251 4.350 -0.000 0.000 0.271 84 T C 1.514 176.166 174.700 -0.081 0.000 1.105 84 T CA 1.333 63.349 62.100 -0.139 0.000 1.116 84 T CB -0.106 68.732 68.868 -0.050 0.000 0.878 84 T HN 0.594 nan 8.240 nan 0.000 0.509 85 C N -0.284 118.961 119.300 -0.091 0.000 3.785 85 C HA 0.487 4.947 4.460 -0.000 0.000 0.312 85 C C 0.478 175.460 174.990 -0.013 0.000 1.566 85 C CA -0.723 58.266 59.018 -0.048 0.000 1.837 85 C CB -0.523 27.177 27.740 -0.066 0.000 2.826 85 C HN 0.494 nan 8.230 nan 0.000 0.667 86 Q N 1.804 121.626 119.800 0.036 0.000 2.470 86 Q HA -0.128 4.212 4.340 -0.000 0.000 0.290 86 Q C -0.227 175.845 176.000 0.120 0.000 1.353 86 Q CA 1.492 57.387 55.803 0.154 0.000 0.787 86 Q CB -2.350 26.429 28.738 0.070 0.000 1.158 86 Q HN 0.957 nan 8.270 nan 0.000 0.426 87 T N -3.915 110.738 114.554 0.164 0.000 2.843 87 T HA 0.472 4.822 4.350 -0.000 0.000 0.302 87 T C 0.060 174.848 174.700 0.148 0.000 1.232 87 T CA -0.716 61.430 62.100 0.075 0.000 1.009 87 T CB 1.966 70.842 68.868 0.014 0.000 1.254 87 T HN -0.001 nan 8.240 nan 0.000 0.504 88 T N 2.165 116.759 114.554 0.065 0.000 2.930 88 T HA 0.264 4.614 4.350 -0.000 0.000 0.306 88 T C 0.666 175.396 174.700 0.051 0.000 1.045 88 T CA -0.409 61.737 62.100 0.076 0.000 1.134 88 T CB -0.076 68.793 68.868 0.002 0.000 0.961 88 T HN 0.443 nan 8.240 nan 0.000 0.545 89 L N 3.363 124.598 121.223 0.021 0.000 2.640 89 L HA 0.021 4.361 4.340 -0.000 0.000 0.280 89 L C 0.557 177.440 176.870 0.021 0.000 1.229 89 L CA -0.066 54.757 54.840 -0.029 0.000 0.919 89 L CB -0.050 41.921 42.059 -0.147 0.000 1.168 89 L HN 0.636 nan 8.230 nan 0.000 0.496 90 F N 5.396 125.298 119.950 -0.079 0.000 2.578 90 F HA 0.272 4.799 4.527 -0.000 0.000 0.381 90 F C 0.928 176.713 175.800 -0.026 0.000 1.069 90 F CA -0.050 57.923 58.000 -0.044 0.000 1.231 90 F CB 0.326 39.305 39.000 -0.035 0.000 1.086 90 F HN 0.713 nan 8.300 nan 0.000 0.564 91 A N 6.094 128.480 122.820 -0.723 0.000 1.936 91 A HA -0.161 4.159 4.320 -0.000 0.000 0.254 91 A C -1.875 175.561 177.584 -0.245 0.000 1.352 91 A CA 0.179 51.879 52.037 -0.561 0.000 0.724 91 A CB -1.578 16.964 19.000 -0.763 0.000 1.196 91 A HN 0.689 nan 8.150 nan 0.000 0.283 92 P HA -0.148 nan 4.420 nan 0.000 0.220 92 P C 1.256 178.539 177.300 -0.027 0.000 1.148 92 P CA 1.376 64.424 63.100 -0.087 0.000 0.803 92 P CB 0.112 31.778 31.700 -0.057 0.000 0.782 93 K N -0.573 119.815 120.400 -0.020 0.000 2.116 93 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 93 K C 2.126 178.793 176.600 0.112 0.000 1.052 93 K CA 0.629 56.945 56.287 0.049 0.000 0.952 93 K CB -0.741 31.773 32.500 0.024 0.000 0.729 93 K HN 0.076 nan 8.250 nan 0.000 0.446 94 L N 1.370 122.628 121.223 0.058 0.000 2.191 94 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 94 L C 2.176 179.213 176.870 0.279 0.000 1.103 94 L CA 1.363 56.295 54.840 0.154 0.000 0.769 94 L CB -0.411 41.679 42.059 0.052 0.000 0.908 94 L HN 0.106 nan 8.230 nan 0.000 0.438 95 A N -0.821 122.094 122.820 0.158 0.000 1.929 95 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 95 A C 2.449 180.206 177.584 0.288 0.000 1.176 95 A CA 1.363 53.510 52.037 0.183 0.000 0.628 95 A CB -0.957 17.944 19.000 -0.165 0.000 0.816 95 A HN 0.495 nan 8.150 nan 0.000 0.444 96 A N -0.777 122.183 122.820 0.233 0.000 1.902 96 A HA -0.065 4.254 4.320 -0.000 0.000 0.217 96 A C 2.018 179.847 177.584 0.408 0.000 1.181 96 A CA 1.651 53.856 52.037 0.280 0.000 0.623 96 A CB -0.786 18.377 19.000 0.271 0.000 0.818 96 A HN 0.744 nan 8.150 nan 0.000 0.443 97 F N 2.219 122.335 119.950 0.276 0.000 2.065 97 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 97 F C 2.652 178.617 175.800 0.275 0.000 1.112 97 F CA 2.683 60.851 58.000 0.280 0.000 1.212 97 F CB -0.943 38.179 39.000 0.203 0.000 0.975 97 F HN 0.327 nan 8.300 nan 0.000 0.476 98 T N -1.701 112.941 114.554 0.147 0.000 2.977 98 T HA -0.245 4.105 4.350 -0.000 0.000 0.271 98 T C 1.840 176.545 174.700 0.007 0.000 1.105 98 T CA 1.311 63.429 62.100 0.031 0.000 1.116 98 T CB -1.357 67.699 68.868 0.313 0.000 0.878 98 T HN 0.476 nan 8.240 nan 0.000 0.509 99 F N 0.309 120.176 119.950 -0.139 0.000 2.074 99 F HA 0.145 4.672 4.527 -0.000 0.000 0.290 99 F C 1.966 177.471 175.800 -0.492 0.000 1.118 99 F CA 0.618 58.245 58.000 -0.622 0.000 1.199 99 F CB -0.279 38.106 39.000 -1.025 0.000 1.012 99 F HN 0.112 nan 8.300 nan 0.000 0.472 100 W N 0.904 121.967 121.300 -0.395 0.000 2.363 100 W HA -0.022 4.638 4.660 -0.000 0.000 0.296 100 W C 2.636 178.938 176.519 -0.362 0.000 1.212 100 W CA 1.115 58.209 57.345 -0.418 0.000 1.260 100 W CB -1.275 28.112 29.460 -0.121 0.000 1.131 100 W HN 0.208 nan 8.180 nan 0.000 0.530 101 G N 0.257 108.922 108.800 -0.226 0.000 2.476 101 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 101 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 101 G C 1.315 176.136 174.900 -0.130 0.000 1.164 101 G CA 1.014 45.913 45.100 -0.335 0.000 0.768 101 G HN 0.385 nan 8.290 nan 0.000 0.560 102 W N 0.698 121.797 121.300 -0.335 0.000 2.388 102 W HA -0.056 4.604 4.660 -0.000 0.000 0.294 102 W C 2.506 178.875 176.519 -0.250 0.000 1.212 102 W CA 1.211 58.415 57.345 -0.235 0.000 1.271 102 W CB 0.140 29.440 29.460 -0.266 0.000 1.126 102 W HN 0.226 nan 8.180 nan 0.000 0.535 103 Q N 0.411 120.035 119.800 -0.294 0.000 2.084 103 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 103 Q C 2.364 178.247 176.000 -0.195 0.000 0.978 103 Q CA 1.100 56.736 55.803 -0.278 0.000 0.844 103 Q CB -1.198 27.300 28.738 -0.401 0.000 0.898 103 Q HN 0.351 nan 8.270 nan 0.000 0.426 104 L N 0.521 121.656 121.223 -0.147 0.000 2.079 104 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 104 L C 2.186 178.935 176.870 -0.203 0.000 1.081 104 L CA 1.202 55.974 54.840 -0.114 0.000 0.752 104 L CB -0.398 41.625 42.059 -0.061 0.000 0.896 104 L HN 0.060 nan 8.230 nan 0.000 0.433 105 V N 0.552 120.282 119.914 -0.308 0.000 2.255 105 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 105 V C 2.518 178.326 176.094 -0.477 0.000 1.051 105 V CA 2.173 64.218 62.300 -0.424 0.000 1.018 105 V CB -0.351 31.079 31.823 -0.655 0.000 0.641 105 V HN 0.356 nan 8.190 nan 0.000 0.445 106 I N -0.710 119.495 120.570 -0.608 0.000 2.163 106 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 106 I C 2.383 178.252 176.117 -0.414 0.000 1.085 106 I CA 1.650 62.568 61.300 -0.637 0.000 1.347 106 I CB -0.344 37.054 38.000 -1.003 0.000 1.044 106 I HN 0.246 nan 8.210 nan 0.000 0.408 107 L N -0.200 120.868 121.223 -0.259 0.000 2.083 107 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 107 L C 2.346 179.152 176.870 -0.106 0.000 1.083 107 L CA 1.160 55.942 54.840 -0.097 0.000 0.752 107 L CB -0.138 41.914 42.059 -0.012 0.000 0.899 107 L HN 0.184 nan 8.230 nan 0.000 0.433 108 L N -0.610 120.524 121.223 -0.149 0.000 2.046 108 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 108 L C 2.731 179.525 176.870 -0.126 0.000 1.077 108 L CA 1.982 56.740 54.840 -0.136 0.000 0.747 108 L CB -1.527 40.433 42.059 -0.165 0.000 0.896 108 L HN 0.269 nan 8.230 nan 0.000 0.432 109 A N -0.623 122.094 122.820 -0.172 0.000 1.883 109 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 109 A C 2.501 180.040 177.584 -0.076 0.000 1.186 109 A CA 2.141 54.093 52.037 -0.141 0.000 0.624 109 A CB -0.976 17.903 19.000 -0.202 0.000 0.822 109 A HN 0.416 nan 8.150 nan 0.000 0.444 110 A N -0.337 122.434 122.820 -0.082 0.000 1.908 110 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 110 A C 2.147 179.736 177.584 0.009 0.000 1.181 110 A CA 1.699 53.725 52.037 -0.017 0.000 0.627 110 A CB -0.590 18.418 19.000 0.013 0.000 0.818 110 A HN 0.519 nan 8.150 nan 0.000 0.445 111 I N 0.027 120.595 120.570 -0.003 0.000 2.277 111 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 111 I C 2.898 179.056 176.117 0.070 0.000 1.094 111 I CA 1.446 62.755 61.300 0.015 0.000 1.393 111 I CB -0.209 37.786 38.000 -0.008 0.000 1.078 111 I HN 0.492 nan 8.210 nan 0.000 0.417 112 S N 1.217 116.958 115.700 0.070 0.000 2.387 112 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 112 S C 2.030 176.746 174.600 0.192 0.000 1.026 112 S CA 0.793 59.111 58.200 0.197 0.000 0.972 112 S CB -0.637 62.615 63.200 0.087 0.000 0.814 112 S HN 0.375 nan 8.310 nan 0.000 0.477 113 L N 1.297 122.569 121.223 0.082 0.000 2.072 113 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 113 L C -0.661 176.237 176.870 0.046 0.000 1.079 113 L CA 0.989 55.859 54.840 0.049 0.000 0.752 113 L CB -1.370 40.703 42.059 0.022 0.000 0.906 113 L HN 0.288 nan 8.230 nan 0.000 0.436 114 P HA -0.116 nan 4.420 nan 0.000 0.221 114 P C 1.617 179.019 177.300 0.170 0.000 1.150 114 P CA 0.766 63.947 63.100 0.134 0.000 0.800 114 P CB 0.140 31.942 31.700 0.170 0.000 0.787 115 L N -1.373 119.912 121.223 0.103 0.000 2.362 115 L HA 0.098 4.438 4.340 -0.000 0.000 0.219 115 L C 1.712 178.374 176.870 -0.346 0.000 1.134 115 L CA 1.868 56.713 54.840 0.008 0.000 0.807 115 L CB -1.546 40.569 42.059 0.094 0.000 0.927 115 L HN 0.202 nan 8.230 nan 0.000 0.447 116 G N -2.342 106.283 108.800 -0.291 0.000 2.179 116 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 116 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 116 G C 0.202 174.880 174.900 -0.371 0.000 0.990 116 G CA -0.175 44.723 45.100 -0.336 0.000 0.646 116 G HN 0.172 nan 8.290 nan 0.000 0.517 117 F N 2.483 122.434 119.950 0.002 0.000 2.515 117 F HA 0.600 5.127 4.527 -0.000 0.000 0.353 117 F C 0.873 176.648 175.800 -0.042 0.000 1.213 117 F CA 0.168 58.151 58.000 -0.029 0.000 1.194 117 F CB 1.003 39.970 39.000 -0.055 0.000 1.488 117 F HN 0.078 nan 8.300 nan 0.000 0.619 118 T N -0.476 114.128 114.554 0.083 0.000 2.886 118 T HA 0.296 4.646 4.350 -0.000 0.000 0.292 118 T C 0.936 175.650 174.700 0.023 0.000 1.012 118 T CA -0.294 61.827 62.100 0.034 0.000 0.982 118 T CB 1.377 70.247 68.868 0.003 0.000 1.018 118 T HN 0.427 nan 8.240 nan 0.000 0.451 119 S N 2.762 118.465 115.700 0.005 0.000 2.561 119 S HA 0.046 4.516 4.470 -0.000 0.000 0.225 119 S C 1.668 176.267 174.600 -0.001 0.000 0.977 119 S CA 1.132 59.332 58.200 0.001 0.000 0.926 119 S CB -0.685 62.502 63.200 -0.021 0.000 0.769 119 S HN 2.090 nan 8.310 nan 0.000 0.533 120 S N -0.039 115.655 115.700 -0.010 0.000 2.361 120 S HA -0.265 4.205 4.470 -0.000 0.000 0.247 120 S C -0.004 174.572 174.600 -0.041 0.000 1.218 120 S CA 1.222 59.415 58.200 -0.011 0.000 1.502 120 S CB -2.393 60.818 63.200 0.018 0.000 1.893 120 S HN 0.748 nan 8.310 nan 0.000 0.610 121 K N 2.605 122.964 120.400 -0.068 0.000 2.412 121 K HA 0.223 4.543 4.320 -0.000 0.000 0.284 121 K C 0.265 176.765 176.600 -0.166 0.000 1.046 121 K CA 0.096 56.306 56.287 -0.129 0.000 0.999 121 K CB 0.274 32.676 32.500 -0.163 0.000 0.941 121 K HN 0.507 nan 8.250 nan 0.000 0.474 122 E N 2.580 122.635 120.200 -0.242 0.000 2.480 122 E HA -0.124 4.226 4.350 -0.000 0.000 0.258 122 E C -0.464 175.977 176.600 -0.264 0.000 0.984 122 E CA 0.469 56.619 56.400 -0.416 0.000 0.930 122 E CB 0.047 29.453 29.700 -0.490 0.000 0.936 122 E HN 0.505 nan 8.360 nan 0.000 0.466 123 Y N -0.018 120.367 120.300 0.143 0.000 4.604 123 Y HA -0.324 4.226 4.550 -0.000 0.000 0.230 123 Y C 0.553 176.651 175.900 0.330 0.000 1.066 123 Y CA 0.454 58.731 58.100 0.295 0.000 1.990 123 Y CB -1.781 36.844 38.460 0.275 0.000 1.619 123 Y HN 0.562 nan 8.280 nan 0.000 0.649 124 A N -0.510 122.396 122.820 0.143 0.000 2.543 124 A HA 0.298 4.618 4.320 -0.000 0.000 0.279 124 A C 1.255 178.784 177.584 -0.092 0.000 0.917 124 A CA -0.080 51.926 52.037 -0.051 0.000 1.036 124 A CB 0.199 18.967 19.000 -0.386 0.000 1.227 124 A HN 0.407 nan 8.150 nan 0.000 0.503 125 E N 0.221 120.390 120.200 -0.052 0.000 2.285 125 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 125 E C 0.156 176.727 176.600 -0.048 0.000 0.997 125 E CA 0.145 56.514 56.400 -0.052 0.000 0.845 125 E CB -0.237 29.439 29.700 -0.041 0.000 0.782 125 E HN 0.670 nan 8.360 nan 0.000 0.491 126 L N 2.509 123.687 121.223 -0.073 0.000 2.485 126 L HA 0.030 4.370 4.340 -0.000 0.000 0.275 126 L C 1.067 177.897 176.870 -0.066 0.000 1.207 126 L CA 0.044 54.835 54.840 -0.082 0.000 0.855 126 L CB 0.241 42.217 42.059 -0.138 0.000 1.114 126 L HN -0.064 nan 8.230 nan 0.000 0.485 127 E N 2.517 122.672 120.200 -0.076 0.000 2.391 127 E HA -0.065 4.285 4.350 -0.000 0.000 0.255 127 E C 0.861 177.385 176.600 -0.127 0.000 1.187 127 E CA -0.173 56.178 56.400 -0.082 0.000 0.941 127 E CB 0.639 30.268 29.700 -0.118 0.000 1.010 127 E HN 0.687 nan 8.360 nan 0.000 0.458 128 W N 1.285 122.539 121.300 -0.078 0.000 2.305 128 W HA -0.142 4.518 4.660 -0.000 0.000 0.308 128 W C -1.258 175.231 176.519 -0.049 0.000 1.226 128 W CA 1.193 58.496 57.345 -0.069 0.000 1.253 128 W CB -2.236 27.180 29.460 -0.075 0.000 1.146 128 W HN 0.395 nan 8.180 nan 0.000 0.507 129 P HA -0.136 nan 4.420 nan 0.000 0.218 129 P C 1.927 179.076 177.300 -0.251 0.000 1.149 129 P CA 2.021 64.733 63.100 -0.646 0.000 0.817 129 P CB -0.349 30.791 31.700 -0.934 0.000 0.785 130 I N -0.411 120.015 120.570 -0.241 0.000 2.353 130 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 130 I C 1.726 177.823 176.117 -0.034 0.000 1.119 130 I CA 1.344 62.557 61.300 -0.145 0.000 1.417 130 I CB -0.669 37.222 38.000 -0.180 0.000 1.078 130 I HN -0.094 nan 8.210 nan 0.000 0.421 131 D N 1.115 121.535 120.400 0.033 0.000 2.144 131 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 131 D C 2.255 178.713 176.300 0.262 0.000 0.984 131 D CA 1.361 55.479 54.000 0.197 0.000 0.834 131 D CB -0.162 40.704 40.800 0.110 0.000 0.955 131 D HN 0.360 nan 8.370 nan 0.000 0.465 132 I N 0.448 121.128 120.570 0.183 0.000 2.179 132 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 132 I C 2.419 178.644 176.117 0.180 0.000 1.088 132 I CA 0.548 61.964 61.300 0.193 0.000 1.357 132 I CB -0.177 37.938 38.000 0.192 0.000 1.051 132 I HN -0.012 nan 8.210 nan 0.000 0.409 133 L N 0.991 122.284 121.223 0.117 0.000 2.012 133 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 133 L C 2.366 179.335 176.870 0.165 0.000 1.073 133 L CA 1.860 56.772 54.840 0.119 0.000 0.748 133 L CB -0.431 41.648 42.059 0.033 0.000 0.891 133 L HN 0.111 nan 8.230 nan 0.000 0.431 134 I N -0.811 119.828 120.570 0.115 0.000 2.118 134 I HA -0.397 3.773 4.170 -0.000 0.000 0.241 134 I C 2.277 178.547 176.117 0.255 0.000 1.070 134 I CA 2.046 63.421 61.300 0.125 0.000 1.327 134 I CB -0.851 37.047 38.000 -0.169 0.000 1.034 134 I HN 0.340 nan 8.210 nan 0.000 0.405 135 T N 1.132 115.843 114.554 0.262 0.000 2.665 135 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 135 T C 1.877 176.803 174.700 0.375 0.000 1.035 135 T CA 1.701 64.010 62.100 0.347 0.000 1.151 135 T CB -0.475 68.596 68.868 0.338 0.000 0.862 135 T HN 0.250 nan 8.240 nan 0.000 0.438 136 I N 0.714 121.487 120.570 0.338 0.000 2.127 136 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 136 I C 2.536 178.947 176.117 0.490 0.000 1.075 136 I CA 1.072 62.594 61.300 0.370 0.000 1.334 136 I CB -0.480 37.730 38.000 0.351 0.000 1.040 136 I HN 0.089 nan 8.210 nan 0.000 0.405 137 V N -0.137 120.064 119.914 0.479 0.000 2.407 137 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 137 V C 2.119 178.534 176.094 0.536 0.000 1.055 137 V CA 1.727 64.304 62.300 0.461 0.000 1.049 137 V CB -0.696 31.347 31.823 0.367 0.000 0.662 137 V HN 0.589 nan 8.190 nan 0.000 0.455 138 W N 0.288 121.800 121.300 0.352 0.000 2.355 138 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 138 W C 2.418 179.120 176.519 0.305 0.000 1.206 138 W CA 1.980 59.522 57.345 0.327 0.000 1.284 138 W CB -0.188 29.405 29.460 0.222 0.000 1.145 138 W HN 0.137 nan 8.180 nan 0.000 0.502 139 V N 1.325 121.488 119.914 0.416 0.000 2.282 139 V HA -0.346 3.774 4.120 -0.000 0.000 0.249 139 V C 2.593 178.839 176.094 0.252 0.000 1.057 139 V CA 2.416 64.885 62.300 0.281 0.000 1.032 139 V CB -1.547 30.432 31.823 0.260 0.000 0.645 139 V HN 0.246 nan 8.190 nan 0.000 0.447 140 A N -0.912 122.114 122.820 0.343 0.000 1.883 140 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 140 A C 2.188 179.993 177.584 0.370 0.000 1.186 140 A CA 2.288 54.553 52.037 0.379 0.000 0.624 140 A CB -0.837 18.524 19.000 0.602 0.000 0.822 140 A HN 0.654 nan 8.150 nan 0.000 0.444 141 Y N 0.820 121.224 120.300 0.173 0.000 2.145 141 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 141 Y C 2.653 178.573 175.900 0.034 0.000 1.145 141 Y CA 1.047 59.190 58.100 0.072 0.000 1.148 141 Y CB -0.939 37.365 38.460 -0.260 0.000 0.981 141 Y HN 0.316 nan 8.280 nan 0.000 0.507 142 A N -0.292 122.416 122.820 -0.186 0.000 1.892 142 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 142 A C 2.440 180.155 177.584 0.218 0.000 1.188 142 A CA 2.518 54.519 52.037 -0.059 0.000 0.631 142 A CB -1.426 17.571 19.000 -0.004 0.000 0.822 142 A HN 0.341 nan 8.150 nan 0.000 0.447 143 V N -0.473 119.571 119.914 0.216 0.000 2.343 143 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 143 V C 2.585 178.918 176.094 0.399 0.000 1.051 143 V CA 1.974 64.450 62.300 0.295 0.000 1.036 143 V CB -0.724 31.266 31.823 0.279 0.000 0.654 143 V HN 0.387 nan 8.190 nan 0.000 0.451 144 V N -0.700 119.418 119.914 0.340 0.000 2.295 144 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 144 V C 2.089 178.353 176.094 0.283 0.000 1.049 144 V CA 2.548 65.043 62.300 0.324 0.000 1.024 144 V CB -0.679 31.320 31.823 0.293 0.000 0.648 144 V HN 0.570 nan 8.190 nan 0.000 0.447 145 F N 0.198 120.178 119.950 0.049 0.000 2.039 145 F HA -0.128 4.399 4.527 -0.000 0.000 0.294 145 F C 2.092 177.812 175.800 -0.134 0.000 1.130 145 F CA 1.717 59.643 58.000 -0.124 0.000 1.189 145 F CB -0.444 38.277 39.000 -0.466 0.000 0.983 145 F HN 0.102 nan 8.300 nan 0.000 0.471 146 F N 0.783 120.792 119.950 0.098 0.000 2.269 146 F HA -0.041 4.486 4.527 -0.000 0.000 0.301 146 F C 2.591 178.303 175.800 -0.146 0.000 1.082 146 F CA 1.306 59.298 58.000 -0.013 0.000 1.360 146 F CB -1.213 37.827 39.000 0.066 0.000 1.041 146 F HN 0.112 nan 8.300 nan 0.000 0.512 147 G N -0.887 107.933 108.800 0.034 0.000 2.418 147 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 147 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 147 G C 1.719 176.456 174.900 -0.271 0.000 1.158 147 G CA 1.421 46.309 45.100 -0.354 0.000 0.771 147 G HN 0.283 nan 8.290 nan 0.000 0.545 148 T N 1.333 115.831 114.554 -0.093 0.000 2.746 148 T HA -0.002 4.348 4.350 -0.000 0.000 0.267 148 T C 2.392 176.955 174.700 -0.228 0.000 1.039 148 T CA 0.689 62.713 62.100 -0.127 0.000 1.142 148 T CB -0.169 68.597 68.868 -0.170 0.000 0.866 148 T HN 0.118 nan 8.240 nan 0.000 0.444 149 L N 0.782 121.797 121.223 -0.347 0.000 1.994 149 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 149 L C 3.029 179.811 176.870 -0.148 0.000 1.071 149 L CA 1.388 56.063 54.840 -0.274 0.000 0.745 149 L CB -0.685 41.180 42.059 -0.324 0.000 0.892 149 L HN 0.260 nan 8.230 nan 0.000 0.431 150 A N 0.658 123.393 122.820 -0.142 0.000 2.076 150 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 150 A C 1.723 179.227 177.584 -0.133 0.000 1.160 150 A CA 1.863 53.825 52.037 -0.125 0.000 0.653 150 A CB -0.432 18.467 19.000 -0.168 0.000 0.801 150 A HN 0.585 nan 8.150 nan 0.000 0.455 151 K N 0.190 120.504 120.400 -0.143 0.000 2.726 151 K HA 0.223 4.543 4.320 -0.000 0.000 0.209 151 K C 0.341 176.902 176.600 -0.066 0.000 1.082 151 K CA -0.720 55.509 56.287 -0.097 0.000 1.081 151 K CB 0.189 32.637 32.500 -0.086 0.000 0.830 151 K HN 0.538 nan 8.250 nan 0.000 0.470 152 R N 0.615 121.073 120.500 -0.070 0.000 2.747 152 R HA 0.199 4.539 4.340 -0.000 0.000 0.278 152 R C 0.052 176.328 176.300 -0.039 0.000 1.153 152 R CA -0.460 55.608 56.100 -0.054 0.000 1.206 152 R CB 0.397 30.663 30.300 -0.056 0.000 1.161 152 R HN 0.028 nan 8.270 nan 0.000 0.589 153 K N -0.013 120.369 120.400 -0.030 0.000 2.240 153 K HA 0.103 4.423 4.320 -0.000 0.000 0.202 153 K C 0.499 177.082 176.600 -0.029 0.000 1.053 153 K CA 0.582 56.852 56.287 -0.028 0.000 0.973 153 K CB 0.264 32.749 32.500 -0.024 0.000 0.924 153 K HN 0.492 nan 8.250 nan 0.000 0.477 154 V N 1.848 121.750 119.914 -0.020 0.000 2.963 154 V HA 0.058 4.178 4.120 -0.000 0.000 0.306 154 V C 1.189 177.257 176.094 -0.045 0.000 1.077 154 V CA -0.211 62.078 62.300 -0.018 0.000 1.124 154 V CB 0.897 32.731 31.823 0.019 0.000 0.987 154 V HN 0.171 nan 8.190 nan 0.000 0.487 155 K N 0.178 120.511 120.400 -0.112 0.000 2.057 155 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 155 K C 0.709 177.188 176.600 -0.202 0.000 1.050 155 K CA 1.054 57.214 56.287 -0.212 0.000 0.935 155 K CB -0.111 32.170 32.500 -0.365 0.000 0.715 155 K HN 0.769 nan 8.250 nan 0.000 0.439 156 H N -0.061 119.040 119.070 0.052 0.000 2.551 156 H HA 0.202 4.758 4.556 -0.000 0.000 0.358 156 H C -0.080 175.311 175.328 0.104 0.000 1.151 156 H CA -0.098 56.007 56.048 0.095 0.000 1.374 156 H CB 0.855 30.668 29.762 0.084 0.000 1.473 156 H HN -0.004 nan 8.280 nan 0.000 0.574 157 I N 2.577 123.330 120.570 0.304 0.000 2.339 157 I HA 0.050 4.220 4.170 -0.000 0.000 0.290 157 I C 0.183 176.401 176.117 0.168 0.000 0.994 157 I CA -0.619 60.819 61.300 0.229 0.000 1.191 157 I CB 0.795 38.957 38.000 0.270 0.000 1.343 157 I HN 0.479 nan 8.210 nan 0.000 0.458 158 Y N 6.121 126.366 120.300 -0.092 0.000 2.702 158 Y HA -0.049 4.501 4.550 -0.000 0.000 0.336 158 Y C 1.516 176.988 175.900 -0.712 0.000 1.235 158 Y CA 0.029 57.961 58.100 -0.280 0.000 1.492 158 Y CB 1.218 39.587 38.460 -0.151 0.000 1.308 158 Y HN 0.517 nan 8.280 nan 0.000 0.589 159 V N 4.689 123.530 119.914 -1.789 0.000 2.720 159 V HA -0.141 3.979 4.120 -0.000 0.000 0.256 159 V C 1.809 177.058 176.094 -1.409 0.000 1.082 159 V CA 2.228 63.075 62.300 -2.422 0.000 1.101 159 V CB -1.252 29.297 31.823 -2.124 0.000 0.693 159 V HN 1.056 nan 8.190 nan 0.000 0.479 160 G N 0.720 108.732 108.800 -1.313 0.000 2.442 160 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 160 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 160 G C 1.305 176.229 174.900 0.039 0.000 1.141 160 G CA 1.053 45.942 45.100 -0.351 0.000 0.763 160 G HN 0.598 nan 8.290 nan 0.000 0.554 161 N N -0.351 118.367 118.700 0.031 0.000 2.463 161 N HA -0.008 4.732 4.740 -0.000 0.000 0.181 161 N C 1.615 177.275 175.510 0.251 0.000 1.078 161 N CA 0.324 53.568 53.050 0.324 0.000 0.902 161 N CB -0.157 38.476 38.487 0.244 0.000 0.970 161 N HN 0.454 nan 8.380 nan 0.000 0.451 162 W N 0.549 121.702 121.300 -0.245 0.000 2.355 162 W HA 0.056 4.716 4.660 -0.000 0.000 0.309 162 W C 1.700 177.984 176.519 -0.392 0.000 1.206 162 W CA 0.196 57.161 57.345 -0.633 0.000 1.284 162 W CB -1.391 27.113 29.460 -1.594 0.000 1.145 162 W HN 0.025 nan 8.180 nan 0.000 0.502 163 F N -0.913 119.054 119.950 0.029 0.000 2.084 163 F HA -0.161 4.366 4.527 -0.000 0.000 0.296 163 F C 2.284 178.140 175.800 0.094 0.000 1.111 163 F CA 1.292 59.375 58.000 0.138 0.000 1.224 163 F CB -1.389 37.598 39.000 -0.022 0.000 0.991 163 F HN -0.303 nan 8.300 nan 0.000 0.471 164 F N 0.620 120.700 119.950 0.217 0.000 2.065 164 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 164 F C 2.644 178.332 175.800 -0.186 0.000 1.112 164 F CA 1.448 59.440 58.000 -0.014 0.000 1.212 164 F CB -1.490 37.371 39.000 -0.232 0.000 0.975 164 F HN -0.021 nan 8.300 nan 0.000 0.476 165 G N -0.519 108.295 108.800 0.023 0.000 2.553 165 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 165 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 165 G C 1.903 176.948 174.900 0.242 0.000 1.195 165 G CA 1.526 46.620 45.100 -0.011 0.000 0.779 165 G HN 0.541 nan 8.290 nan 0.000 0.577 166 A N 0.866 123.865 122.820 0.299 0.000 1.859 166 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 166 A C 2.234 179.993 177.584 0.292 0.000 1.198 166 A CA 2.105 54.330 52.037 0.313 0.000 0.629 166 A CB -0.911 18.321 19.000 0.387 0.000 0.830 166 A HN 0.792 nan 8.150 nan 0.000 0.446 167 F N 0.858 120.966 119.950 0.263 0.000 2.085 167 F HA -0.283 4.244 4.527 -0.000 0.000 0.299 167 F C 1.836 177.768 175.800 0.219 0.000 1.096 167 F CA 2.112 60.261 58.000 0.249 0.000 1.227 167 F CB -0.528 38.555 39.000 0.139 0.000 0.983 167 F HN 0.221 nan 8.300 nan 0.000 0.482 168 I N 0.106 120.404 120.570 -0.453 0.000 2.142 168 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 168 I C 2.519 178.677 176.117 0.069 0.000 1.078 168 I CA 1.587 62.635 61.300 -0.421 0.000 1.343 168 I CB -0.618 37.058 38.000 -0.541 0.000 1.046 168 I HN 0.234 nan 8.210 nan 0.000 0.405 169 L N -0.209 121.072 121.223 0.097 0.000 1.994 169 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 169 L C 2.768 179.652 176.870 0.023 0.000 1.071 169 L CA 2.092 56.978 54.840 0.077 0.000 0.745 169 L CB -0.862 41.230 42.059 0.055 0.000 0.892 169 L HN 0.325 nan 8.230 nan 0.000 0.431 170 T N -1.259 113.242 114.554 -0.088 0.000 2.867 170 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 170 T C 1.850 176.415 174.700 -0.226 0.000 1.057 170 T CA 1.120 63.057 62.100 -0.271 0.000 1.136 170 T CB -0.049 68.349 68.868 -0.783 0.000 0.874 170 T HN 0.065 nan 8.240 nan 0.000 0.466 171 V N 1.671 121.509 119.914 -0.127 0.000 2.343 171 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 171 V C 3.054 179.057 176.094 -0.152 0.000 1.051 171 V CA 1.754 63.977 62.300 -0.129 0.000 1.036 171 V CB -1.329 30.412 31.823 -0.138 0.000 0.654 171 V HN 0.655 nan 8.190 nan 0.000 0.451 172 A N 0.177 122.977 122.820 -0.034 0.000 1.865 172 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 172 A C 2.138 179.802 177.584 0.133 0.000 1.191 172 A CA 2.254 54.349 52.037 0.097 0.000 0.623 172 A CB -0.596 18.593 19.000 0.315 0.000 0.826 172 A HN 0.507 nan 8.150 nan 0.000 0.444 173 I N -0.876 119.759 120.570 0.109 0.000 2.076 173 I HA -0.275 3.895 4.170 -0.000 0.000 0.237 173 I C 2.345 178.593 176.117 0.219 0.000 1.059 173 I CA 1.126 62.521 61.300 0.159 0.000 1.317 173 I CB -0.592 37.500 38.000 0.154 0.000 1.037 173 I HN 0.216 nan 8.210 nan 0.000 0.398 174 L N 0.548 121.818 121.223 0.077 0.000 2.010 174 L HA -0.333 4.007 4.340 -0.000 0.000 0.219 174 L C 2.701 179.739 176.870 0.280 0.000 1.077 174 L CA 2.340 57.157 54.840 -0.040 0.000 0.773 174 L CB -1.507 40.379 42.059 -0.287 0.000 0.892 174 L HN 0.379 nan 8.230 nan 0.000 0.436 175 H N -1.438 117.724 119.070 0.153 0.000 2.353 175 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 175 H C 2.066 177.452 175.328 0.097 0.000 1.090 175 H CA 1.966 58.107 56.048 0.155 0.000 1.327 175 H CB -0.096 29.669 29.762 0.005 0.000 1.383 175 H HN 0.088 nan 8.280 nan 0.000 0.508 176 V N -0.388 119.554 119.914 0.048 0.000 2.270 176 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 176 V C 2.622 178.732 176.094 0.026 0.000 1.043 176 V CA 1.494 63.790 62.300 -0.006 0.000 1.014 176 V CB -0.664 31.225 31.823 0.109 0.000 0.645 176 V HN 0.331 nan 8.190 nan 0.000 0.447 177 V N 0.719 120.733 119.914 0.166 0.000 2.252 177 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 177 V C 2.239 178.484 176.094 0.253 0.000 1.056 177 V CA 2.639 65.084 62.300 0.240 0.000 1.022 177 V CB -0.873 31.173 31.823 0.371 0.000 0.641 177 V HN 0.701 nan 8.190 nan 0.000 0.445 178 N N -0.012 118.808 118.700 0.200 0.000 2.512 178 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 178 N C 0.773 176.232 175.510 -0.085 0.000 1.073 178 N CA 0.714 53.800 53.050 0.059 0.000 0.911 178 N CB 0.028 38.370 38.487 -0.241 0.000 0.964 178 N HN 0.473 nan 8.380 nan 0.000 0.447 179 N N 0.390 118.998 118.700 -0.154 0.000 2.234 179 N HA 0.181 4.921 4.740 -0.000 0.000 0.227 179 N C -0.674 174.766 175.510 -0.116 0.000 1.151 179 N CA -0.087 52.847 53.050 -0.193 0.000 0.865 179 N CB 0.458 38.728 38.487 -0.360 0.000 1.066 179 N HN 0.166 nan 8.380 nan 0.000 0.515 180 L N 2.257 123.435 121.223 -0.074 0.000 2.477 180 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 180 L C 0.390 177.141 176.870 -0.198 0.000 1.157 180 L CA 0.446 55.211 54.840 -0.124 0.000 0.889 180 L CB -0.001 41.985 42.059 -0.121 0.000 1.158 180 L HN 0.247 nan 8.230 nan 0.000 0.473 181 E N 4.144 124.248 120.200 -0.159 0.000 2.347 181 E HA 0.367 4.717 4.350 -0.000 0.000 0.285 181 E C -1.092 175.404 176.600 -0.173 0.000 0.925 181 E CA -0.845 55.468 56.400 -0.144 0.000 0.779 181 E CB 1.616 31.270 29.700 -0.078 0.000 1.233 181 E HN 0.362 nan 8.360 nan 0.000 0.414 182 I N 3.044 123.526 120.570 -0.146 0.000 2.517 182 I HA 0.148 4.318 4.170 -0.000 0.000 0.285 182 I C -2.087 173.872 176.117 -0.264 0.000 1.106 182 I CA -1.766 59.425 61.300 -0.181 0.000 1.402 182 I CB 0.389 38.337 38.000 -0.086 0.000 1.399 182 I HN 0.264 nan 8.210 nan 0.000 0.535 183 P HA 0.076 nan 4.420 nan 0.000 0.276 183 P C 0.454 177.569 177.300 -0.308 0.000 1.235 183 P CA -0.120 62.576 63.100 -0.673 0.000 0.772 183 P CB 1.205 32.052 31.700 -1.421 0.000 0.871 184 V N 1.641 121.456 119.914 -0.164 0.000 2.627 184 V HA 0.071 4.191 4.120 -0.000 0.000 0.239 184 V C 1.243 177.336 176.094 -0.001 0.000 1.077 184 V CA 1.867 64.122 62.300 -0.076 0.000 1.103 184 V CB -0.471 31.290 31.823 -0.103 0.000 0.802 184 V HN 0.667 nan 8.190 nan 0.000 0.482 185 T N -3.572 111.031 114.554 0.081 0.000 2.626 185 T HA 0.702 5.052 4.350 -0.000 0.000 0.279 185 T C 1.160 176.042 174.700 0.304 0.000 0.983 185 T CA 0.163 62.347 62.100 0.139 0.000 1.059 185 T CB 1.490 70.407 68.868 0.083 0.000 1.396 185 T HN 0.138 nan 8.240 nan 0.000 0.519 186 A N 0.423 123.341 122.820 0.163 0.000 1.873 186 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 186 A C 1.773 179.249 177.584 -0.180 0.000 1.193 186 A CA 1.578 53.638 52.037 0.038 0.000 0.629 186 A CB -0.803 18.129 19.000 -0.113 0.000 0.826 186 A HN 0.684 nan 8.150 nan 0.000 0.447 187 M N -0.866 118.627 119.600 -0.178 0.000 2.876 187 M HA 0.327 4.807 4.480 -0.000 0.000 0.367 187 M C -0.538 175.768 176.300 0.010 0.000 1.242 187 M CA 0.242 55.366 55.300 -0.293 0.000 0.889 187 M CB 0.439 32.596 32.600 -0.740 0.000 1.353 187 M HN 0.062 nan 8.290 nan 0.000 0.511 188 K N 1.562 122.053 120.400 0.151 0.000 2.581 188 K HA 0.506 4.826 4.320 -0.000 0.000 0.249 188 K C -1.048 175.585 176.600 0.056 0.000 0.966 188 K CA 0.148 56.481 56.287 0.077 0.000 0.811 188 K CB 2.272 34.768 32.500 -0.007 0.000 1.223 188 K HN 0.318 nan 8.250 nan 0.000 0.438 189 S N 2.186 117.867 115.700 -0.033 0.000 2.599 189 S HA 0.647 5.117 4.470 -0.000 0.000 0.287 189 S C -1.026 173.412 174.600 -0.270 0.000 1.105 189 S CA -0.743 57.376 58.200 -0.134 0.000 0.899 189 S CB 1.294 64.515 63.200 0.035 0.000 1.100 189 S HN 0.413 nan 8.310 nan 0.000 0.482 190 Y N 0.832 121.112 120.300 -0.034 0.000 2.377 190 Y HA 0.562 5.112 4.550 -0.000 0.000 0.339 190 Y C 1.042 176.890 175.900 -0.086 0.000 1.011 190 Y CA -0.726 57.348 58.100 -0.044 0.000 1.093 190 Y CB 1.951 40.383 38.460 -0.047 0.000 1.201 190 Y HN 0.862 nan 8.280 nan 0.000 0.455 191 S N 3.208 118.969 115.700 0.102 0.000 2.558 191 S HA -0.047 4.423 4.470 -0.000 0.000 0.291 191 S C 1.257 175.766 174.600 -0.153 0.000 1.306 191 S CA -0.338 57.843 58.200 -0.032 0.000 1.056 191 S CB 0.365 63.583 63.200 0.030 0.000 0.836 191 S HN 0.859 nan 8.310 nan 0.000 0.504 192 L N 3.710 124.681 121.223 -0.419 0.000 2.079 192 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 192 L C -0.000 176.565 176.870 -0.508 0.000 1.081 192 L CA 1.232 55.718 54.840 -0.589 0.000 0.752 192 L CB -0.147 41.323 42.059 -0.981 0.000 0.896 192 L HN 0.751 nan 8.230 nan 0.000 0.433 193 Y N -1.286 119.006 120.300 -0.013 0.000 2.519 193 Y HA 0.649 5.199 4.550 -0.000 0.000 0.324 193 Y C 0.240 176.136 175.900 -0.006 0.000 1.214 193 Y CA -0.814 57.279 58.100 -0.012 0.000 1.260 193 Y CB 0.882 39.333 38.460 -0.014 0.000 1.311 193 Y HN -0.121 nan 8.280 nan 0.000 0.505 194 A N -0.106 122.813 122.820 0.165 0.000 2.594 194 A HA 0.743 5.063 4.320 -0.000 0.000 0.291 194 A C 0.304 177.939 177.584 0.084 0.000 1.105 194 A CA -0.357 51.734 52.037 0.091 0.000 0.694 194 A CB 0.646 19.669 19.000 0.039 0.000 1.291 194 A HN 1.466 nan 8.150 nan 0.000 0.410 195 G N 0.237 109.078 108.800 0.068 0.000 2.627 195 G HA2 0.042 4.002 3.960 -0.000 0.000 0.312 195 G HA3 0.042 4.002 3.960 -0.000 0.000 0.312 195 G C 1.451 176.393 174.900 0.071 0.000 1.299 195 G CA 2.098 47.237 45.100 0.065 0.000 0.989 195 G HN 2.323 nan 8.290 nan 0.000 0.547 196 A N -1.882 120.972 122.820 0.058 0.000 1.940 196 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 196 A C 2.630 180.230 177.584 0.027 0.000 1.176 196 A CA 3.338 55.402 52.037 0.044 0.000 0.631 196 A CB -1.100 17.916 19.000 0.027 0.000 0.814 196 A HN 1.268 nan 8.150 nan 0.000 0.446 197 T N -0.329 114.242 114.554 0.028 0.000 2.708 197 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 197 T C 1.712 176.388 174.700 -0.040 0.000 1.037 197 T CA 1.541 63.636 62.100 -0.008 0.000 1.146 197 T CB -0.432 68.454 68.868 0.030 0.000 0.865 197 T HN 0.545 nan 8.240 nan 0.000 0.435 198 D N 1.190 121.624 120.400 0.056 0.000 2.123 198 D HA -0.045 4.595 4.640 -0.000 0.000 0.196 198 D C 2.284 178.600 176.300 0.027 0.000 0.992 198 D CA 1.265 55.313 54.000 0.080 0.000 0.833 198 D CB -0.437 40.453 40.800 0.150 0.000 0.954 198 D HN 0.333 nan 8.370 nan 0.000 0.455 199 A N 0.309 123.171 122.820 0.070 0.000 1.892 199 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 199 A C 2.289 179.964 177.584 0.152 0.000 1.188 199 A CA 1.741 53.862 52.037 0.140 0.000 0.631 199 A CB -0.566 18.543 19.000 0.181 0.000 0.822 199 A HN 0.254 nan 8.150 nan 0.000 0.447 200 M N -0.594 119.047 119.600 0.068 0.000 2.099 200 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 200 M C 2.255 178.592 176.300 0.061 0.000 1.067 200 M CA 1.405 56.740 55.300 0.058 0.000 1.124 200 M CB -0.871 31.702 32.600 -0.044 0.000 1.353 200 M HN 0.278 nan 8.290 nan 0.000 0.410 201 V N 0.597 120.455 119.914 -0.093 0.000 2.380 201 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 201 V C 2.389 178.563 176.094 0.133 0.000 1.063 201 V CA 2.107 64.351 62.300 -0.092 0.000 1.055 201 V CB -1.000 30.471 31.823 -0.587 0.000 0.657 201 V HN 0.487 nan 8.190 nan 0.000 0.455 202 Q N -0.439 119.344 119.800 -0.028 0.000 2.050 202 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 202 Q C 1.822 177.659 176.000 -0.271 0.000 0.980 202 Q CA 2.270 57.946 55.803 -0.212 0.000 0.840 202 Q CB -0.464 28.013 28.738 -0.435 0.000 0.898 202 Q HN 0.742 nan 8.270 nan 0.000 0.424 203 W N -1.484 119.900 121.300 0.140 0.000 2.942 203 W HA 0.119 4.779 4.660 -0.000 0.000 0.263 203 W C 1.583 178.165 176.519 0.105 0.000 1.296 203 W CA -0.311 57.045 57.345 0.018 0.000 1.504 203 W CB -0.310 29.104 29.460 -0.076 0.000 1.096 203 W HN 0.328 nan 8.180 nan 0.000 0.639 204 W N 0.223 121.634 121.300 0.184 0.000 2.355 204 W HA -0.305 4.355 4.660 -0.000 0.000 0.309 204 W C 2.399 179.032 176.519 0.191 0.000 1.206 204 W CA 2.142 59.578 57.345 0.152 0.000 1.284 204 W CB -1.183 28.309 29.460 0.054 0.000 1.145 204 W HN 0.085 nan 8.180 nan 0.000 0.502 205 Y N 1.007 121.240 120.300 -0.111 0.000 2.163 205 Y HA -0.033 4.517 4.550 -0.000 0.000 0.288 205 Y C 2.455 178.255 175.900 -0.165 0.000 1.136 205 Y CA 2.777 60.666 58.100 -0.353 0.000 1.147 205 Y CB -0.950 37.424 38.460 -0.143 0.000 0.987 205 Y HN -0.025 nan 8.280 nan 0.000 0.509 206 G N -1.215 107.602 108.800 0.028 0.000 2.421 206 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.216 206 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.216 206 G C 1.426 176.402 174.900 0.126 0.000 1.171 206 G CA 1.298 46.429 45.100 0.053 0.000 0.775 206 G HN 0.612 nan 8.290 nan 0.000 0.543 207 H N 0.848 120.025 119.070 0.178 0.000 2.333 207 H HA 0.055 4.611 4.556 -0.000 0.000 0.302 207 H C 2.377 177.766 175.328 0.101 0.000 1.075 207 H CA 1.578 57.798 56.048 0.288 0.000 1.348 207 H CB -0.083 29.936 29.762 0.429 0.000 1.393 207 H HN 0.191 nan 8.280 nan 0.000 0.509 208 N N 0.598 119.331 118.700 0.055 0.000 2.453 208 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 208 N C 1.781 177.242 175.510 -0.082 0.000 1.041 208 N CA 0.813 53.882 53.050 0.032 0.000 0.900 208 N CB -0.241 38.226 38.487 -0.033 0.000 0.961 208 N HN 0.530 nan 8.380 nan 0.000 0.443 209 A N 0.960 123.586 122.820 -0.323 0.000 1.845 209 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 209 A C 2.407 179.894 177.584 -0.162 0.000 1.195 209 A CA 2.030 53.876 52.037 -0.319 0.000 0.616 209 A CB -0.987 17.685 19.000 -0.547 0.000 0.832 209 A HN 0.201 nan 8.150 nan 0.000 0.443 210 V N -1.345 118.404 119.914 -0.275 0.000 2.809 210 V HA 0.071 4.191 4.120 -0.000 0.000 0.256 210 V C 2.120 178.043 176.094 -0.285 0.000 1.080 210 V CA 2.102 64.268 62.300 -0.224 0.000 1.102 210 V CB -1.209 30.484 31.823 -0.217 0.000 0.705 210 V HN 0.441 nan 8.190 nan 0.000 0.475 211 G N -0.652 107.791 108.800 -0.595 0.000 2.408 211 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.217 211 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.217 211 G C 1.243 175.613 174.900 -0.883 0.000 1.150 211 G CA 1.269 45.596 45.100 -1.289 0.000 0.776 211 G HN 0.592 nan 8.290 nan 0.000 0.542 212 F N -2.094 117.755 119.950 -0.168 0.000 2.557 212 F HA 0.386 4.913 4.527 -0.000 0.000 0.278 212 F C 1.967 177.931 175.800 0.273 0.000 1.051 212 F CA -0.652 57.403 58.000 0.092 0.000 1.357 212 F CB -0.208 38.864 39.000 0.120 0.000 1.104 212 F HN 0.051 nan 8.300 nan 0.000 0.654 213 F N 0.810 120.955 119.950 0.324 0.000 2.084 213 F HA -0.100 4.427 4.527 -0.000 0.000 0.296 213 F C 1.785 177.648 175.800 0.105 0.000 1.111 213 F CA 1.804 59.959 58.000 0.259 0.000 1.224 213 F CB -0.103 38.987 39.000 0.150 0.000 0.991 213 F HN -0.201 nan 8.300 nan 0.000 0.471 214 L N -1.697 119.716 121.223 0.316 0.000 2.554 214 L HA 0.055 4.395 4.340 -0.000 0.000 0.225 214 L C 1.500 178.566 176.870 0.326 0.000 1.104 214 L CA 0.450 55.424 54.840 0.224 0.000 0.866 214 L CB -0.321 41.739 42.059 0.003 0.000 1.047 214 L HN 0.122 nan 8.230 nan 0.000 0.468 215 T N -0.520 114.195 114.554 0.268 0.000 3.348 215 T HA 0.179 4.529 4.350 -0.000 0.000 0.233 215 T C 1.960 176.807 174.700 0.246 0.000 0.960 215 T CA 0.605 62.924 62.100 0.365 0.000 1.343 215 T CB -0.131 68.887 68.868 0.250 0.000 1.068 215 T HN 0.182 nan 8.240 nan 0.000 0.410 216 A N 1.666 124.555 122.820 0.115 0.000 1.869 216 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 216 A C 2.520 180.136 177.584 0.052 0.000 1.203 216 A CA 2.428 54.612 52.037 0.244 0.000 0.638 216 A CB -1.638 17.553 19.000 0.318 0.000 0.831 216 A HN 0.543 nan 8.150 nan 0.000 0.450 217 G N -1.853 106.826 108.800 -0.202 0.000 2.469 217 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 217 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 217 G C 1.336 175.706 174.900 -0.882 0.000 1.136 217 G CA 1.214 45.770 45.100 -0.907 0.000 0.759 217 G HN 0.458 nan 8.290 nan 0.000 0.562 218 F N 0.122 119.803 119.950 -0.448 0.000 2.512 218 F HA 0.294 4.821 4.527 -0.000 0.000 0.296 218 F C 2.479 178.155 175.800 -0.207 0.000 1.110 218 F CA 0.140 57.911 58.000 -0.381 0.000 1.446 218 F CB 0.022 38.733 39.000 -0.482 0.000 1.092 218 F HN 0.009 nan 8.300 nan 0.000 0.554 219 L N -0.590 120.636 121.223 0.006 0.000 2.083 219 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 219 L C 2.751 179.458 176.870 -0.271 0.000 1.083 219 L CA 1.267 55.985 54.840 -0.203 0.000 0.752 219 L CB -1.335 40.372 42.059 -0.586 0.000 0.899 219 L HN 0.249 nan 8.230 nan 0.000 0.433 220 G N 0.735 109.245 108.800 -0.484 0.000 2.476 220 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 220 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 220 G C 1.537 176.271 174.900 -0.276 0.000 1.164 220 G CA 0.953 45.611 45.100 -0.736 0.000 0.768 220 G HN 0.283 nan 8.290 nan 0.000 0.560 221 I N 0.347 120.767 120.570 -0.251 0.000 2.091 221 I HA -0.271 3.899 4.170 -0.000 0.000 0.239 221 I C 2.838 179.145 176.117 0.317 0.000 1.061 221 I CA 1.735 63.170 61.300 0.225 0.000 1.317 221 I CB -0.453 37.542 38.000 -0.009 0.000 1.031 221 I HN 0.210 nan 8.210 nan 0.000 0.401 222 M N 0.303 119.972 119.600 0.115 0.000 2.106 222 M HA -0.299 4.181 4.480 -0.000 0.000 0.259 222 M C 2.425 178.747 176.300 0.038 0.000 1.068 222 M CA 2.237 57.577 55.300 0.066 0.000 1.100 222 M CB -0.473 32.111 32.600 -0.028 0.000 1.351 222 M HN 0.182 nan 8.290 nan 0.000 0.404 223 Y N -1.389 118.944 120.300 0.056 0.000 2.352 223 Y HA -0.272 4.278 4.550 -0.000 0.000 0.292 223 Y C 2.210 178.278 175.900 0.280 0.000 1.136 223 Y CA 1.655 59.809 58.100 0.090 0.000 1.227 223 Y CB -0.250 38.162 38.460 -0.081 0.000 0.991 223 Y HN 0.369 nan 8.280 nan 0.000 0.545 224 Y N -1.196 119.283 120.300 0.299 0.000 2.201 224 Y HA -0.134 4.416 4.550 -0.000 0.000 0.292 224 Y C 1.678 177.479 175.900 -0.165 0.000 1.119 224 Y CA 1.282 59.410 58.100 0.046 0.000 1.127 224 Y CB -0.724 37.650 38.460 -0.144 0.000 1.019 224 Y HN -0.012 nan 8.280 nan 0.000 0.514 225 F N -0.910 119.037 119.950 -0.006 0.000 2.206 225 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 225 F C 2.342 178.022 175.800 -0.200 0.000 1.090 225 F CA 1.260 59.140 58.000 -0.200 0.000 1.323 225 F CB -0.876 38.084 39.000 -0.067 0.000 1.028 225 F HN -0.132 nan 8.300 nan 0.000 0.492 226 V N 1.044 120.981 119.914 0.038 0.000 2.233 226 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 226 V C -0.356 175.681 176.094 -0.095 0.000 1.050 226 V CA 2.246 64.526 62.300 -0.034 0.000 1.010 226 V CB -1.746 30.041 31.823 -0.060 0.000 0.637 226 V HN 0.185 nan 8.190 nan 0.000 0.444 227 P HA -0.105 nan 4.420 nan 0.000 0.217 227 P C 1.562 178.741 177.300 -0.201 0.000 1.151 227 P CA 1.186 64.209 63.100 -0.129 0.000 0.828 227 P CB 0.011 31.659 31.700 -0.087 0.000 0.788 228 K N -0.102 120.081 120.400 -0.363 0.000 2.097 228 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 228 K C 2.296 178.825 176.600 -0.119 0.000 1.050 228 K CA 1.440 57.493 56.287 -0.390 0.000 0.938 228 K CB -0.670 31.286 32.500 -0.908 0.000 0.718 228 K HN -0.106 nan 8.250 nan 0.000 0.442 229 Q N -0.376 119.380 119.800 -0.073 0.000 2.062 229 Q HA 0.140 4.480 4.340 -0.000 0.000 0.196 229 Q C 1.782 177.775 176.000 -0.010 0.000 0.967 229 Q CA 1.835 57.681 55.803 0.072 0.000 0.832 229 Q CB -0.393 28.417 28.738 0.120 0.000 0.899 229 Q HN 0.300 nan 8.270 nan 0.000 0.442 230 A N 0.128 122.906 122.820 -0.070 0.000 2.015 230 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 230 A C 0.312 177.841 177.584 -0.091 0.000 1.163 230 A CA 1.060 53.031 52.037 -0.111 0.000 0.646 230 A CB -0.369 18.538 19.000 -0.155 0.000 0.806 230 A HN 0.558 nan 8.150 nan 0.000 0.448 231 E N -1.117 119.038 120.200 -0.075 0.000 2.320 231 E HA -0.181 4.169 4.350 -0.000 0.000 0.234 231 E C -0.350 176.218 176.600 -0.053 0.000 1.183 231 E CA 0.451 56.815 56.400 -0.059 0.000 0.713 231 E CB -0.775 28.905 29.700 -0.033 0.000 1.226 231 E HN 0.563 nan 8.360 nan 0.000 0.382 232 R N -0.167 120.296 120.500 -0.062 0.000 2.919 232 R HA 0.560 4.900 4.340 -0.000 0.000 0.260 232 R C -2.365 173.920 176.300 -0.024 0.000 1.067 232 R CA -1.832 54.244 56.100 -0.040 0.000 1.003 232 R CB 0.665 30.933 30.300 -0.054 0.000 1.192 232 R HN -0.051 nan 8.270 nan 0.000 0.488 233 P HA 0.205 nan 4.420 nan 0.000 0.281 233 P C -0.341 177.005 177.300 0.077 0.000 1.249 233 P CA -0.551 62.566 63.100 0.030 0.000 0.810 233 P CB 0.707 32.428 31.700 0.034 0.000 1.008 234 V N 3.167 123.151 119.914 0.117 0.000 2.403 234 V HA -0.068 4.052 4.120 -0.000 0.000 0.265 234 V C 0.632 176.848 176.094 0.203 0.000 1.034 234 V CA -0.274 62.139 62.300 0.188 0.000 1.036 234 V CB -1.602 30.394 31.823 0.289 0.000 1.032 234 V HN 0.465 nan 8.190 nan 0.000 0.478 235 Y N 5.372 125.724 120.300 0.087 0.000 2.852 235 Y HA 0.066 4.616 4.550 -0.000 0.000 0.343 235 Y C 1.023 177.002 175.900 0.131 0.000 1.280 235 Y CA 1.604 59.758 58.100 0.090 0.000 1.604 235 Y CB -0.055 38.442 38.460 0.062 0.000 1.216 235 Y HN 0.930 nan 8.280 nan 0.000 0.541 236 S N 4.926 120.400 115.700 -0.378 0.000 3.385 236 S HA -0.280 4.190 4.470 -0.000 0.000 0.613 236 S C 0.217 174.858 174.600 0.069 0.000 0.653 236 S CA 0.575 58.626 58.200 -0.248 0.000 1.401 236 S CB -1.215 61.733 63.200 -0.421 0.000 1.031 236 S HN 0.955 nan 8.310 nan 0.000 0.883 237 Y N 6.310 126.609 120.300 -0.001 0.000 2.133 237 Y HA -0.059 4.491 4.550 -0.000 0.000 0.287 237 Y C 2.031 178.003 175.900 0.120 0.000 1.134 237 Y CA 2.189 60.324 58.100 0.057 0.000 1.133 237 Y CB -0.323 38.160 38.460 0.038 0.000 0.987 237 Y HN 0.773 nan 8.280 nan 0.000 0.502 238 R N -0.281 120.212 120.500 -0.011 0.000 2.113 238 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 238 R C 2.150 178.462 176.300 0.019 0.000 1.142 238 R CA 1.824 57.888 56.100 -0.060 0.000 0.953 238 R CB -1.137 29.188 30.300 0.041 0.000 0.860 238 R HN 0.376 nan 8.270 nan 0.000 0.438 239 L N 1.298 122.573 121.223 0.086 0.000 2.043 239 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 239 L C 2.063 179.129 176.870 0.328 0.000 1.075 239 L CA 1.813 56.770 54.840 0.195 0.000 0.752 239 L CB -0.645 41.530 42.059 0.193 0.000 0.891 239 L HN 0.050 nan 8.230 nan 0.000 0.432 240 S N -0.224 115.652 115.700 0.293 0.000 2.365 240 S HA -0.224 4.245 4.470 -0.000 0.000 0.225 240 S C 1.886 176.716 174.600 0.382 0.000 1.039 240 S CA 1.914 60.342 58.200 0.380 0.000 1.033 240 S CB -0.558 62.670 63.200 0.047 0.000 0.887 240 S HN 0.453 nan 8.310 nan 0.000 0.447 241 I N 1.380 122.093 120.570 0.239 0.000 2.076 241 I HA -0.186 3.984 4.170 -0.000 0.000 0.237 241 I C 2.317 178.679 176.117 0.407 0.000 1.059 241 I CA 1.052 62.553 61.300 0.336 0.000 1.317 241 I CB -0.901 37.183 38.000 0.140 0.000 1.037 241 I HN 0.107 nan 8.210 nan 0.000 0.398 242 V N 1.047 121.139 119.914 0.296 0.000 2.219 242 V HA -0.399 3.721 4.120 -0.000 0.000 0.248 242 V C 2.567 178.853 176.094 0.319 0.000 1.053 242 V CA 2.595 65.062 62.300 0.279 0.000 1.009 242 V CB -1.377 30.575 31.823 0.215 0.000 0.636 242 V HN 0.620 nan 8.190 nan 0.000 0.445 243 H N -0.593 118.653 119.070 0.293 0.000 2.426 243 H HA -0.260 4.295 4.556 -0.000 0.000 0.298 243 H C 2.240 177.810 175.328 0.403 0.000 1.107 243 H CA 2.356 58.605 56.048 0.335 0.000 1.298 243 H CB -0.206 29.775 29.762 0.365 0.000 1.377 243 H HN 0.459 nan 8.280 nan 0.000 0.519 244 F N 0.499 120.349 119.950 -0.168 0.000 2.074 244 F HA -0.073 4.454 4.527 -0.000 0.000 0.293 244 F C 1.984 177.579 175.800 -0.342 0.000 1.116 244 F CA 1.498 59.227 58.000 -0.452 0.000 1.212 244 F CB -0.855 37.753 39.000 -0.653 0.000 0.998 244 F HN 0.082 nan 8.300 nan 0.000 0.471 245 W N 0.592 121.745 121.300 -0.244 0.000 2.358 245 W HA -0.061 4.599 4.660 -0.000 0.000 0.303 245 W C 2.675 179.083 176.519 -0.185 0.000 1.208 245 W CA 1.786 58.945 57.345 -0.310 0.000 1.274 245 W CB -1.063 28.351 29.460 -0.076 0.000 1.138 245 W HN 0.140 nan 8.180 nan 0.000 0.515 246 A N 0.052 122.963 122.820 0.151 0.000 1.883 246 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 246 A C 1.933 179.571 177.584 0.091 0.000 1.186 246 A CA 1.775 53.884 52.037 0.121 0.000 0.624 246 A CB -1.091 17.991 19.000 0.137 0.000 0.822 246 A HN 0.300 nan 8.150 nan 0.000 0.444 247 L N -0.894 120.373 121.223 0.073 0.000 2.017 247 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 247 L C 2.210 179.139 176.870 0.098 0.000 1.073 247 L CA 1.793 56.710 54.840 0.127 0.000 0.745 247 L CB -0.360 41.820 42.059 0.202 0.000 0.894 247 L HN 0.313 nan 8.230 nan 0.000 0.432 248 I N -0.880 119.620 120.570 -0.116 0.000 2.423 248 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 248 I C 2.059 178.336 176.117 0.266 0.000 1.151 248 I CA 1.775 63.063 61.300 -0.020 0.000 1.421 248 I CB -0.446 37.222 38.000 -0.552 0.000 1.079 248 I HN 0.340 nan 8.210 nan 0.000 0.431 249 T N -1.653 113.036 114.554 0.224 0.000 3.021 249 T HA 0.060 4.410 4.350 -0.000 0.000 0.245 249 T C 1.907 176.842 174.700 0.391 0.000 1.028 249 T CA 0.774 63.065 62.100 0.317 0.000 1.139 249 T CB -0.030 68.985 68.868 0.245 0.000 0.884 249 T HN 0.034 nan 8.240 nan 0.000 0.457 250 V N 0.727 120.790 119.914 0.248 0.000 2.453 250 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 250 V C 2.082 178.375 176.094 0.332 0.000 1.048 250 V CA 1.334 63.736 62.300 0.170 0.000 1.049 250 V CB -0.683 31.155 31.823 0.024 0.000 0.672 250 V HN 0.419 nan 8.190 nan 0.000 0.457 251 Y N 0.283 120.744 120.300 0.268 0.000 2.224 251 Y HA -0.193 4.357 4.550 -0.000 0.000 0.289 251 Y C 2.395 178.537 175.900 0.402 0.000 1.146 251 Y CA 1.033 59.303 58.100 0.283 0.000 1.182 251 Y CB -0.162 38.384 38.460 0.142 0.000 0.983 251 Y HN 0.117 nan 8.280 nan 0.000 0.524 252 I N -1.647 119.360 120.570 0.728 0.000 2.264 252 I HA -0.357 3.813 4.170 -0.000 0.000 0.248 252 I C 1.881 178.291 176.117 0.489 0.000 1.111 252 I CA 1.425 63.090 61.300 0.609 0.000 1.382 252 I CB -1.534 36.782 38.000 0.526 0.000 1.060 252 I HN 0.353 nan 8.210 nan 0.000 0.418 253 W N 1.049 122.511 121.300 0.269 0.000 2.421 253 W HA -0.021 4.639 4.660 -0.000 0.000 0.270 253 W C 2.518 179.077 176.519 0.067 0.000 1.233 253 W CA 1.033 58.479 57.345 0.168 0.000 1.226 253 W CB -0.692 28.840 29.460 0.119 0.000 1.121 253 W HN 0.089 nan 8.180 nan 0.000 0.579 254 A N 0.519 123.459 122.820 0.201 0.000 2.239 254 A HA 0.145 4.465 4.320 -0.000 0.000 0.209 254 A C 2.232 179.592 177.584 -0.373 0.000 1.171 254 A CA 1.229 53.189 52.037 -0.128 0.000 0.768 254 A CB -1.242 17.519 19.000 -0.399 0.000 0.790 254 A HN 0.284 nan 8.150 nan 0.000 0.478 255 G N 1.368 110.143 108.800 -0.040 0.000 2.631 255 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 255 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 255 G C -0.375 174.485 174.900 -0.066 0.000 1.214 255 G CA 1.415 46.553 45.100 0.063 0.000 0.785 255 G HN 0.518 nan 8.290 nan 0.000 0.596 256 P HA -0.039 nan 4.420 nan 0.000 0.231 256 P C 1.277 178.314 177.300 -0.438 0.000 1.158 256 P CA 1.183 64.166 63.100 -0.195 0.000 0.763 256 P CB -0.406 31.197 31.700 -0.161 0.000 0.805 257 H N -3.005 115.817 119.070 -0.414 0.000 2.546 257 H HA -0.025 4.531 4.556 -0.000 0.000 0.277 257 H C 1.285 176.128 175.328 -0.808 0.000 1.004 257 H CA 0.460 56.014 56.048 -0.822 0.000 1.231 257 H CB -0.658 28.817 29.762 -0.477 0.000 1.382 257 H HN 0.327 nan 8.280 nan 0.000 0.580 258 H N 1.205 120.017 119.070 -0.430 0.000 2.403 258 H HA 0.079 4.635 4.556 -0.000 0.000 0.298 258 H C 1.324 176.324 175.328 -0.547 0.000 1.059 258 H CA 0.738 56.473 56.048 -0.521 0.000 1.363 258 H CB 0.497 29.645 29.762 -1.024 0.000 1.410 258 H HN 0.343 nan 8.280 nan 0.000 0.528 259 L N 2.172 123.187 121.223 -0.347 0.000 2.928 259 L HA 0.103 4.443 4.340 -0.000 0.000 0.236 259 L C -0.083 176.628 176.870 -0.265 0.000 1.290 259 L CA -0.287 54.403 54.840 -0.250 0.000 1.099 259 L CB -0.280 41.736 42.059 -0.072 0.000 1.437 259 L HN 0.091 nan 8.230 nan 0.000 0.493 260 H N 0.058 118.906 119.070 -0.369 0.000 2.764 260 H HA 0.077 4.633 4.556 -0.000 0.000 0.341 260 H C 0.061 175.255 175.328 -0.224 0.000 1.072 260 H CA -0.101 55.741 56.048 -0.342 0.000 1.444 260 H CB 0.221 29.784 29.762 -0.333 0.000 1.458 260 H HN 0.179 nan 8.280 nan 0.000 0.572 261 Y N -0.857 119.443 120.300 -0.001 0.000 3.825 261 Y HA -0.344 4.205 4.550 -0.000 0.000 0.221 261 Y C 1.130 177.032 175.900 0.002 0.000 1.195 261 Y CA 0.779 58.871 58.100 -0.013 0.000 1.699 261 Y CB -1.642 36.812 38.460 -0.010 0.000 1.531 261 Y HN 0.673 nan 8.280 nan 0.000 0.640 262 T N -4.459 110.148 114.554 0.088 0.000 2.864 262 T HA 0.786 5.136 4.350 -0.000 0.000 0.276 262 T C 1.280 176.024 174.700 0.073 0.000 1.006 262 T CA -0.382 61.775 62.100 0.094 0.000 0.970 262 T CB 1.581 70.490 68.868 0.067 0.000 1.420 262 T HN 0.243 nan 8.240 nan 0.000 0.601 263 A N -0.476 122.389 122.820 0.075 0.000 2.168 263 A HA 0.293 4.613 4.320 -0.000 0.000 0.215 263 A C 1.059 178.655 177.584 0.020 0.000 1.152 263 A CA 0.040 52.110 52.037 0.055 0.000 0.716 263 A CB -1.024 18.015 19.000 0.065 0.000 0.794 263 A HN 0.726 nan 8.150 nan 0.000 0.465 264 L N 1.320 122.539 121.223 -0.005 0.000 2.540 264 L HA 0.213 4.553 4.340 -0.000 0.000 0.276 264 L C -2.301 174.496 176.870 -0.122 0.000 1.212 264 L CA -1.427 53.367 54.840 -0.077 0.000 0.893 264 L CB 0.024 42.019 42.059 -0.106 0.000 1.138 264 L HN 0.007 nan 8.230 nan 0.000 0.491 265 P HA -0.015 nan 4.420 nan 0.000 0.269 265 P C 0.021 177.178 177.300 -0.238 0.000 1.211 265 P CA -0.044 62.960 63.100 -0.160 0.000 0.781 265 P CB 0.491 32.081 31.700 -0.182 0.000 0.877 266 D N 0.824 121.179 120.400 -0.076 0.000 2.123 266 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 266 D C 1.897 178.174 176.300 -0.038 0.000 0.992 266 D CA 1.292 55.264 54.000 -0.048 0.000 0.833 266 D CB -0.349 40.472 40.800 0.035 0.000 0.954 266 D HN 0.604 nan 8.370 nan 0.000 0.455 267 W N 1.567 122.876 121.300 0.016 0.000 2.358 267 W HA -0.048 4.612 4.660 -0.000 0.000 0.303 267 W C 1.896 178.440 176.519 0.043 0.000 1.208 267 W CA 1.053 58.414 57.345 0.028 0.000 1.274 267 W CB -1.009 28.468 29.460 0.028 0.000 1.138 267 W HN -0.095 nan 8.180 nan 0.000 0.515 268 A N 1.529 123.740 122.820 -1.015 0.000 1.898 268 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 268 A C 2.176 179.571 177.584 -0.315 0.000 1.181 268 A CA 1.975 53.460 52.037 -0.920 0.000 0.620 268 A CB -1.053 17.198 19.000 -1.249 0.000 0.819 268 A HN 0.474 nan 8.150 nan 0.000 0.442 269 Q N -0.184 119.466 119.800 -0.250 0.000 2.045 269 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 269 Q C 2.544 178.582 176.000 0.064 0.000 0.991 269 Q CA 2.035 57.799 55.803 -0.064 0.000 0.851 269 Q CB -0.273 28.436 28.738 -0.048 0.000 0.911 269 Q HN 0.667 nan 8.270 nan 0.000 0.418 270 S N 0.880 116.595 115.700 0.024 0.000 2.353 270 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 270 S C 1.894 176.557 174.600 0.104 0.000 1.035 270 S CA 0.963 59.193 58.200 0.050 0.000 1.025 270 S CB -0.377 62.852 63.200 0.048 0.000 0.902 270 S HN 0.166 nan 8.310 nan 0.000 0.440 271 L N 1.710 123.031 121.223 0.163 0.000 2.103 271 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 271 L C 2.427 179.435 176.870 0.231 0.000 1.080 271 L CA 1.928 56.924 54.840 0.260 0.000 0.764 271 L CB -1.452 40.850 42.059 0.404 0.000 0.890 271 L HN 0.419 nan 8.230 nan 0.000 0.435 272 G N -1.751 107.132 108.800 0.137 0.000 2.414 272 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.215 272 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.215 272 G C 1.638 176.601 174.900 0.104 0.000 1.188 272 G CA 0.826 45.977 45.100 0.085 0.000 0.783 272 G HN 0.390 nan 8.290 nan 0.000 0.537 273 M N 0.363 120.052 119.600 0.150 0.000 2.067 273 M HA -0.080 4.400 4.480 -0.000 0.000 0.260 273 M C 2.572 178.890 176.300 0.031 0.000 1.069 273 M CA 1.555 56.927 55.300 0.120 0.000 1.117 273 M CB -0.316 32.327 32.600 0.072 0.000 1.334 273 M HN 0.080 nan 8.290 nan 0.000 0.407 274 V N 1.312 121.241 119.914 0.024 0.000 2.278 274 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 274 V C 2.615 178.683 176.094 -0.044 0.000 1.062 274 V CA 2.133 64.423 62.300 -0.016 0.000 1.038 274 V CB -0.656 31.161 31.823 -0.010 0.000 0.646 274 V HN 0.586 nan 8.190 nan 0.000 0.447 275 M N -0.972 118.617 119.600 -0.017 0.000 2.254 275 M HA -0.080 4.399 4.480 -0.000 0.000 0.265 275 M C 2.397 178.664 176.300 -0.054 0.000 1.066 275 M CA 1.326 56.594 55.300 -0.053 0.000 1.123 275 M CB -0.878 31.735 32.600 0.020 0.000 1.388 275 M HN 0.363 nan 8.290 nan 0.000 0.425 276 S N 1.236 116.920 115.700 -0.026 0.000 2.382 276 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 276 S C 2.004 176.527 174.600 -0.129 0.000 1.027 276 S CA 1.026 59.179 58.200 -0.078 0.000 0.991 276 S CB -0.283 62.908 63.200 -0.014 0.000 0.823 276 S HN 0.409 nan 8.310 nan 0.000 0.469 277 L N 0.331 121.491 121.223 -0.104 0.000 2.072 277 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 277 L C 2.175 178.967 176.870 -0.131 0.000 1.079 277 L CA 0.909 55.678 54.840 -0.119 0.000 0.752 277 L CB -0.483 41.519 42.059 -0.095 0.000 0.906 277 L HN 0.262 nan 8.230 nan 0.000 0.436 278 I N -0.349 120.151 120.570 -0.115 0.000 2.194 278 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 278 I C 2.294 178.342 176.117 -0.115 0.000 1.093 278 I CA 1.107 62.340 61.300 -0.112 0.000 1.355 278 I CB -0.322 37.608 38.000 -0.117 0.000 1.046 278 I HN 0.160 nan 8.210 nan 0.000 0.413 279 L N -0.061 121.082 121.223 -0.133 0.000 2.261 279 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 279 L C 2.191 178.969 176.870 -0.152 0.000 1.114 279 L CA 1.497 56.249 54.840 -0.147 0.000 0.777 279 L CB -0.699 41.206 42.059 -0.257 0.000 0.910 279 L HN 0.251 nan 8.230 nan 0.000 0.440 280 L N -1.125 119.970 121.223 -0.212 0.000 1.990 280 L HA -0.311 4.029 4.340 -0.000 0.000 0.213 280 L C 2.505 179.172 176.870 -0.338 0.000 1.072 280 L CA 1.741 56.369 54.840 -0.353 0.000 0.755 280 L CB -0.514 41.289 42.059 -0.427 0.000 0.889 280 L HN 0.392 nan 8.230 nan 0.000 0.432 281 A N 0.359 123.057 122.820 -0.204 0.000 1.842 281 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 281 A C -0.052 177.584 177.584 0.087 0.000 1.206 281 A CA 2.290 54.288 52.037 -0.064 0.000 0.630 281 A CB -2.188 16.794 19.000 -0.030 0.000 0.839 281 A HN 0.393 nan 8.150 nan 0.000 0.447 282 P HA -0.105 nan 4.420 nan 0.000 0.216 282 P C 1.719 179.252 177.300 0.388 0.000 1.150 282 P CA 1.821 65.085 63.100 0.273 0.000 0.843 282 P CB -0.180 31.652 31.700 0.219 0.000 0.787 283 S N -1.657 114.204 115.700 0.267 0.000 2.353 283 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 283 S C 1.591 176.442 174.600 0.418 0.000 1.035 283 S CA 1.222 59.621 58.200 0.331 0.000 1.025 283 S CB -1.145 62.125 63.200 0.116 0.000 0.902 283 S HN 0.207 nan 8.310 nan 0.000 0.440 284 W N 1.795 123.114 121.300 0.032 0.000 2.402 284 W HA 0.129 4.789 4.660 -0.000 0.000 0.286 284 W C 2.539 179.038 176.519 -0.033 0.000 1.221 284 W CA 0.214 57.552 57.345 -0.012 0.000 1.257 284 W CB -1.465 27.961 29.460 -0.056 0.000 1.120 284 W HN 0.413 nan 8.180 nan 0.000 0.551 285 G N 0.161 109.081 108.800 0.200 0.000 2.485 285 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 285 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 285 G C 1.837 176.465 174.900 -0.453 0.000 1.115 285 G CA 1.337 46.443 45.100 0.010 0.000 0.751 285 G HN 0.400 nan 8.290 nan 0.000 0.567 286 G N 1.368 109.791 108.800 -0.628 0.000 2.414 286 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 286 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 286 G C 1.867 176.552 174.900 -0.360 0.000 1.188 286 G CA 1.497 46.189 45.100 -0.681 0.000 0.783 286 G HN 0.622 nan 8.290 nan 0.000 0.537 287 M N -0.461 119.058 119.600 -0.136 0.000 2.254 287 M HA 0.285 4.765 4.480 -0.000 0.000 0.265 287 M C 2.314 178.529 176.300 -0.142 0.000 1.066 287 M CA 1.271 56.489 55.300 -0.137 0.000 1.123 287 M CB -0.400 32.151 32.600 -0.081 0.000 1.388 287 M HN 0.133 nan 8.290 nan 0.000 0.425 288 I N 1.375 121.880 120.570 -0.108 0.000 2.142 288 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 288 I C 2.548 178.660 176.117 -0.008 0.000 1.078 288 I CA 1.706 62.974 61.300 -0.054 0.000 1.343 288 I CB -0.863 37.157 38.000 0.034 0.000 1.046 288 I HN 0.546 nan 8.210 nan 0.000 0.405 289 N N 0.605 119.312 118.700 0.011 0.000 2.205 289 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 289 N C 1.865 177.356 175.510 -0.031 0.000 1.015 289 N CA 1.435 54.535 53.050 0.084 0.000 0.862 289 N CB -0.091 38.443 38.487 0.079 0.000 0.986 289 N HN 0.441 nan 8.380 nan 0.000 0.429 290 G N 0.652 109.352 108.800 -0.166 0.000 2.395 290 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 290 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 290 G C 1.544 176.368 174.900 -0.126 0.000 1.177 290 G CA 0.227 45.216 45.100 -0.184 0.000 0.794 290 G HN 0.178 nan 8.290 nan 0.000 0.532 291 M N 0.091 119.634 119.600 -0.095 0.000 2.160 291 M HA 0.114 4.594 4.480 -0.000 0.000 0.264 291 M C 2.646 178.912 176.300 -0.058 0.000 1.073 291 M CA 0.920 56.189 55.300 -0.052 0.000 1.142 291 M CB -0.236 32.398 32.600 0.057 0.000 1.358 291 M HN 0.108 nan 8.290 nan 0.000 0.422 292 M N -0.531 119.009 119.600 -0.101 0.000 2.358 292 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 292 M C 1.903 178.120 176.300 -0.138 0.000 1.064 292 M CA 1.377 56.535 55.300 -0.236 0.000 1.093 292 M CB -1.431 30.699 32.600 -0.782 0.000 1.401 292 M HN 0.276 nan 8.290 nan 0.000 0.440 293 T N 1.368 115.892 114.554 -0.050 0.000 2.759 293 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 293 T C 1.788 176.397 174.700 -0.152 0.000 1.042 293 T CA 1.078 63.163 62.100 -0.024 0.000 1.140 293 T CB -0.192 68.663 68.868 -0.020 0.000 0.864 293 T HN 0.229 nan 8.240 nan 0.000 0.455 294 L N 1.747 122.775 121.223 -0.324 0.000 2.478 294 L HA 0.157 4.497 4.340 -0.000 0.000 0.223 294 L C 1.261 177.733 176.870 -0.664 0.000 1.140 294 L CA 0.158 54.623 54.840 -0.625 0.000 0.842 294 L CB -0.410 40.976 42.059 -1.121 0.000 0.953 294 L HN 0.188 nan 8.230 nan 0.000 0.452 295 S N -0.702 114.856 115.700 -0.238 0.000 2.563 295 S HA 0.328 4.798 4.470 -0.000 0.000 0.294 295 S C 1.351 175.998 174.600 0.078 0.000 1.279 295 S CA 0.099 58.375 58.200 0.127 0.000 1.069 295 S CB 0.526 63.824 63.200 0.163 0.000 0.828 295 S HN 0.647 nan 8.310 nan 0.000 0.497 296 G N 3.127 112.068 108.800 0.236 0.000 2.454 296 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.225 296 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.225 296 G C 0.761 175.781 174.900 0.200 0.000 1.138 296 G CA 0.133 45.343 45.100 0.183 0.000 0.667 296 G HN 1.952 nan 8.290 nan 0.000 0.512 297 A N -0.267 122.556 122.820 0.005 0.000 2.411 297 A HA 0.516 4.836 4.320 -0.000 0.000 0.251 297 A C 1.395 178.845 177.584 -0.224 0.000 1.317 297 A CA 0.790 52.767 52.037 -0.099 0.000 0.904 297 A CB -0.732 18.142 19.000 -0.210 0.000 0.993 297 A HN 0.628 nan 8.150 nan 0.000 0.504 298 W N 0.121 121.425 121.300 0.007 0.000 2.421 298 W HA -0.185 4.475 4.660 -0.000 0.000 0.270 298 W C 2.373 178.880 176.519 -0.019 0.000 1.233 298 W CA 1.316 58.648 57.345 -0.021 0.000 1.226 298 W CB -0.195 29.267 29.460 0.004 0.000 1.121 298 W HN 0.776 nan 8.180 nan 0.000 0.579 299 H N -0.006 119.162 119.070 0.164 0.000 2.518 299 H HA 0.007 4.563 4.556 -0.000 0.000 0.289 299 H C 1.288 176.641 175.328 0.042 0.000 1.051 299 H CA 1.191 57.294 56.048 0.091 0.000 1.280 299 H CB -0.519 29.281 29.762 0.063 0.000 1.380 299 H HN 0.206 nan 8.280 nan 0.000 0.566 300 K N 0.630 120.752 120.400 -0.463 0.000 2.365 300 K HA 0.065 4.385 4.320 -0.000 0.000 0.199 300 K C 2.352 178.853 176.600 -0.165 0.000 1.045 300 K CA 0.290 56.369 56.287 -0.347 0.000 0.962 300 K CB 0.265 32.538 32.500 -0.377 0.000 0.759 300 K HN 0.274 nan 8.250 nan 0.000 0.469 301 L N 0.882 122.049 121.223 -0.095 0.000 2.056 301 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 301 L C 2.374 179.197 176.870 -0.079 0.000 1.078 301 L CA 1.444 56.240 54.840 -0.074 0.000 0.749 301 L CB -0.396 41.684 42.059 0.034 0.000 0.901 301 L HN 0.256 nan 8.230 nan 0.000 0.433 302 R N -1.036 119.455 120.500 -0.014 0.000 2.148 302 R HA -0.073 4.266 4.340 -0.000 0.000 0.223 302 R C 2.367 178.656 176.300 -0.017 0.000 1.088 302 R CA 1.257 57.359 56.100 0.002 0.000 0.985 302 R CB -0.571 29.757 30.300 0.047 0.000 0.880 302 R HN 0.099 nan 8.270 nan 0.000 0.451 303 S N 0.723 116.406 115.700 -0.029 0.000 2.348 303 S HA -0.126 4.344 4.470 -0.000 0.000 0.219 303 S C 0.342 174.907 174.600 -0.058 0.000 1.033 303 S CA 0.953 59.135 58.200 -0.031 0.000 0.974 303 S CB -0.172 63.012 63.200 -0.028 0.000 0.868 303 S HN 0.379 nan 8.310 nan 0.000 0.459 304 D N 0.904 121.250 120.400 -0.089 0.000 2.441 304 D HA 0.391 5.030 4.640 -0.000 0.000 0.231 304 D C -1.745 174.476 176.300 -0.131 0.000 1.073 304 D CA -2.474 51.471 54.000 -0.091 0.000 0.850 304 D CB 1.873 42.627 40.800 -0.077 0.000 1.062 304 D HN 0.084 nan 8.370 nan 0.000 0.524 305 P HA -0.053 nan 4.420 nan 0.000 0.221 305 P C 1.742 179.019 177.300 -0.039 0.000 1.150 305 P CA 0.538 63.511 63.100 -0.211 0.000 0.800 305 P CB 0.560 32.165 31.700 -0.159 0.000 0.787 306 I N -0.788 119.796 120.570 0.023 0.000 2.208 306 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 306 I C 2.435 178.636 176.117 0.141 0.000 1.097 306 I CA 1.079 62.460 61.300 0.135 0.000 1.363 306 I CB -0.696 37.360 38.000 0.093 0.000 1.051 306 I HN -0.085 nan 8.210 nan 0.000 0.413 307 L N 0.823 122.063 121.223 0.029 0.000 2.046 307 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 307 L C 2.623 179.471 176.870 -0.036 0.000 1.077 307 L CA 1.714 56.546 54.840 -0.014 0.000 0.747 307 L CB -0.614 41.392 42.059 -0.087 0.000 0.896 307 L HN 0.070 nan 8.230 nan 0.000 0.432 308 R N -1.481 118.925 120.500 -0.156 0.000 2.112 308 R HA -0.257 4.083 4.340 -0.000 0.000 0.242 308 R C 2.269 178.533 176.300 -0.061 0.000 1.137 308 R CA 2.289 58.189 56.100 -0.334 0.000 0.944 308 R CB -0.810 28.886 30.300 -1.006 0.000 0.857 308 R HN 0.284 nan 8.270 nan 0.000 0.435 309 F N 0.932 120.907 119.950 0.042 0.000 2.027 309 F HA -0.305 4.222 4.527 -0.000 0.000 0.297 309 F C 2.453 178.344 175.800 0.152 0.000 1.129 309 F CA 1.629 59.750 58.000 0.201 0.000 1.195 309 F CB -0.508 38.570 39.000 0.131 0.000 0.960 309 F HN -0.004 nan 8.300 nan 0.000 0.485 310 L N -0.754 120.644 121.223 0.292 0.000 2.043 310 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 310 L C 2.262 179.229 176.870 0.162 0.000 1.075 310 L CA 1.026 55.979 54.840 0.188 0.000 0.752 310 L CB -0.953 41.174 42.059 0.114 0.000 0.891 310 L HN 0.045 nan 8.230 nan 0.000 0.432 311 V N -0.841 119.137 119.914 0.106 0.000 2.229 311 V HA -0.233 3.887 4.120 -0.000 0.000 0.243 311 V C 2.408 178.593 176.094 0.150 0.000 1.042 311 V CA 1.538 63.887 62.300 0.082 0.000 1.000 311 V CB -0.324 31.517 31.823 0.029 0.000 0.637 311 V HN 0.157 nan 8.190 nan 0.000 0.446 312 V N 0.573 120.599 119.914 0.188 0.000 2.453 312 V HA -0.299 3.821 4.120 -0.000 0.000 0.252 312 V C 2.806 179.087 176.094 0.311 0.000 1.068 312 V CA 2.383 64.806 62.300 0.206 0.000 1.070 312 V CB -0.827 31.170 31.823 0.290 0.000 0.664 312 V HN 0.719 nan 8.190 nan 0.000 0.461 313 S N -0.030 115.894 115.700 0.374 0.000 2.365 313 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 313 S C 1.927 176.846 174.600 0.532 0.000 1.039 313 S CA 2.161 60.653 58.200 0.487 0.000 1.033 313 S CB -0.412 63.031 63.200 0.404 0.000 0.887 313 S HN 0.565 nan 8.310 nan 0.000 0.447 314 L N 1.154 122.575 121.223 0.331 0.000 2.093 314 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 314 L C 3.122 180.063 176.870 0.120 0.000 1.085 314 L CA 0.987 55.940 54.840 0.187 0.000 0.755 314 L CB -0.837 41.256 42.059 0.057 0.000 0.904 314 L HN 0.470 nan 8.230 nan 0.000 0.435 315 A N 0.302 123.155 122.820 0.055 0.000 1.883 315 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 315 A C 2.088 179.607 177.584 -0.107 0.000 1.186 315 A CA 1.746 53.720 52.037 -0.106 0.000 0.624 315 A CB -0.897 17.966 19.000 -0.228 0.000 0.822 315 A HN 0.327 nan 8.150 nan 0.000 0.444 316 F N -2.261 117.778 119.950 0.148 0.000 2.163 316 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 316 F C 2.244 178.135 175.800 0.151 0.000 1.094 316 F CA 1.485 59.582 58.000 0.162 0.000 1.290 316 F CB -0.613 38.497 39.000 0.184 0.000 1.017 316 F HN 0.402 nan 8.300 nan 0.000 0.483 317 Y N 1.121 121.536 120.300 0.193 0.000 2.081 317 Y HA -0.228 4.322 4.550 -0.000 0.000 0.280 317 Y C 2.454 178.299 175.900 -0.091 0.000 1.163 317 Y CA 1.608 59.594 58.100 -0.190 0.000 1.135 317 Y CB -1.064 36.919 38.460 -0.794 0.000 0.970 317 Y HN 0.013 nan 8.280 nan 0.000 0.498 318 G N 0.449 109.183 108.800 -0.111 0.000 2.440 318 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.218 318 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.218 318 G C 1.694 176.650 174.900 0.094 0.000 1.154 318 G CA 1.406 46.390 45.100 -0.193 0.000 0.767 318 G HN 0.596 nan 8.290 nan 0.000 0.552 319 M N 1.886 121.564 119.600 0.131 0.000 2.086 319 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 319 M C 2.528 179.031 176.300 0.340 0.000 1.067 319 M CA 2.868 58.350 55.300 0.303 0.000 1.116 319 M CB -0.327 32.436 32.600 0.272 0.000 1.348 319 M HN 0.195 nan 8.290 nan 0.000 0.407 320 S N -1.145 114.702 115.700 0.245 0.000 2.461 320 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 320 S C 1.701 176.406 174.600 0.175 0.000 1.005 320 S CA 0.854 59.215 58.200 0.268 0.000 0.942 320 S CB -1.441 61.896 63.200 0.230 0.000 0.776 320 S HN 0.717 nan 8.310 nan 0.000 0.514 321 T N -1.812 112.746 114.554 0.008 0.000 3.219 321 T HA 0.337 4.687 4.350 -0.000 0.000 0.249 321 T C 0.709 175.487 174.700 0.129 0.000 1.099 321 T CA -0.343 61.733 62.100 -0.041 0.000 0.988 321 T CB -0.628 68.039 68.868 -0.335 0.000 0.999 321 T HN 0.552 nan 8.240 nan 0.000 0.550 322 F N 0.557 120.550 119.950 0.072 0.000 2.537 322 F HA 0.341 4.868 4.527 -0.000 0.000 0.275 322 F C 2.275 178.062 175.800 -0.022 0.000 0.947 322 F CA -0.346 57.665 58.000 0.019 0.000 1.238 322 F CB 0.436 39.621 39.000 0.309 0.000 1.071 322 F HN 0.100 nan 8.300 nan 0.000 0.749 323 E N 0.699 120.871 120.200 -0.046 0.000 2.097 323 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 323 E C 2.171 178.594 176.600 -0.295 0.000 1.000 323 E CA 1.622 57.932 56.400 -0.149 0.000 0.804 323 E CB -0.542 29.254 29.700 0.161 0.000 0.740 323 E HN 0.569 nan 8.360 nan 0.000 0.454 324 G N 1.139 109.766 108.800 -0.289 0.000 2.480 324 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 324 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 324 G C -0.781 173.855 174.900 -0.440 0.000 1.200 324 G CA 0.956 45.752 45.100 -0.505 0.000 0.782 324 G HN 0.341 nan 8.290 nan 0.000 0.554 325 P HA -0.117 nan 4.420 nan 0.000 0.216 325 P C 2.240 179.389 177.300 -0.251 0.000 1.150 325 P CA 1.240 64.192 63.100 -0.247 0.000 0.843 325 P CB -0.034 31.567 31.700 -0.165 0.000 0.787 326 M N -1.925 117.503 119.600 -0.286 0.000 2.086 326 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 326 M C 2.094 178.208 176.300 -0.309 0.000 1.067 326 M CA 1.890 57.018 55.300 -0.286 0.000 1.116 326 M CB -1.463 30.924 32.600 -0.354 0.000 1.348 326 M HN 0.049 nan 8.290 nan 0.000 0.407 327 M N -0.674 118.666 119.600 -0.434 0.000 2.557 327 M HA -0.037 4.443 4.480 -0.000 0.000 0.259 327 M C 1.802 177.880 176.300 -0.370 0.000 1.086 327 M CA 0.771 55.759 55.300 -0.520 0.000 1.096 327 M CB -0.399 31.744 32.600 -0.761 0.000 1.424 327 M HN 0.236 nan 8.290 nan 0.000 0.488 328 A N 0.344 122.964 122.820 -0.333 0.000 2.218 328 A HA 0.225 4.545 4.320 -0.000 0.000 0.209 328 A C 0.851 178.429 177.584 -0.010 0.000 1.168 328 A CA -0.096 51.839 52.037 -0.170 0.000 0.804 328 A CB -0.406 18.433 19.000 -0.268 0.000 0.834 328 A HN 0.359 nan 8.150 nan 0.000 0.482 329 I N 0.694 121.184 120.570 -0.132 0.000 2.471 329 I HA 0.009 4.179 4.170 -0.000 0.000 0.286 329 I C 1.209 177.191 176.117 -0.226 0.000 1.079 329 I CA -0.283 60.922 61.300 -0.157 0.000 1.398 329 I CB 0.999 38.921 38.000 -0.130 0.000 1.403 329 I HN 0.222 nan 8.210 nan 0.000 0.530 330 K N 2.986 123.141 120.400 -0.409 0.000 2.044 330 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 330 K C 1.791 178.362 176.600 -0.049 0.000 1.049 330 K CA 1.926 57.899 56.287 -0.525 0.000 0.927 330 K CB -0.303 31.792 32.500 -0.675 0.000 0.713 330 K HN 0.693 nan 8.250 nan 0.000 0.443 331 T N 1.067 115.620 114.554 -0.002 0.000 2.833 331 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 331 T C 2.053 176.771 174.700 0.030 0.000 1.054 331 T CA 1.147 63.283 62.100 0.061 0.000 1.135 331 T CB -0.134 68.749 68.868 0.024 0.000 0.869 331 T HN -0.030 nan 8.240 nan 0.000 0.466 332 V N 2.333 122.229 119.914 -0.029 0.000 2.283 332 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 332 V C 2.502 178.552 176.094 -0.073 0.000 1.039 332 V CA 1.380 63.649 62.300 -0.050 0.000 1.016 332 V CB -0.634 31.113 31.823 -0.125 0.000 0.650 332 V HN 0.545 nan 8.190 nan 0.000 0.449 333 N N 0.532 119.181 118.700 -0.086 0.000 2.272 333 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 333 N C 1.831 177.392 175.510 0.086 0.000 1.014 333 N CA 1.416 54.442 53.050 -0.040 0.000 0.870 333 N CB 0.002 38.515 38.487 0.043 0.000 0.975 333 N HN 0.487 nan 8.380 nan 0.000 0.433 334 A N 0.892 123.792 122.820 0.134 0.000 1.940 334 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 334 A C 2.162 179.835 177.584 0.148 0.000 1.176 334 A CA 1.023 53.145 52.037 0.141 0.000 0.631 334 A CB -0.431 18.601 19.000 0.054 0.000 0.814 334 A HN 0.380 nan 8.150 nan 0.000 0.446 335 L N -0.841 120.468 121.223 0.145 0.000 2.200 335 L HA 0.018 4.358 4.340 -0.000 0.000 0.200 335 L C 2.787 179.803 176.870 0.244 0.000 1.072 335 L CA 1.755 56.712 54.840 0.196 0.000 0.787 335 L CB -0.289 41.890 42.059 0.200 0.000 0.957 335 L HN 0.424 nan 8.230 nan 0.000 0.459 336 S N -1.057 114.737 115.700 0.157 0.000 2.356 336 S HA -0.261 4.209 4.470 -0.000 0.000 0.223 336 S C 1.160 175.843 174.600 0.139 0.000 1.032 336 S CA 0.480 58.726 58.200 0.076 0.000 1.005 336 S CB -0.771 62.096 63.200 -0.556 0.000 0.867 336 S HN 0.567 nan 8.310 nan 0.000 0.449 337 H N 0.281 119.349 119.070 -0.003 0.000 3.064 337 H HA 0.117 4.673 4.556 -0.000 0.000 0.329 337 H C 0.391 175.792 175.328 0.121 0.000 1.020 337 H CA 1.551 57.544 56.048 -0.091 0.000 1.402 337 H CB -0.300 29.316 29.762 -0.243 0.000 1.379 337 H HN 0.501 nan 8.280 nan 0.000 0.594 338 Y N -1.063 119.125 120.300 -0.187 0.000 4.543 338 Y HA -0.427 4.123 4.550 -0.000 0.000 0.303 338 Y C 1.332 177.454 175.900 0.371 0.000 1.054 338 Y CA 1.032 59.175 58.100 0.072 0.000 1.902 338 Y CB -1.804 36.746 38.460 0.149 0.000 1.052 338 Y HN 0.761 nan 8.280 nan 0.000 0.448 339 T N -1.784 113.040 114.554 0.451 0.000 2.816 339 T HA 0.149 4.499 4.350 -0.000 0.000 0.282 339 T C 0.859 175.732 174.700 0.288 0.000 0.993 339 T CA -0.097 62.182 62.100 0.297 0.000 0.994 339 T CB 1.225 70.162 68.868 0.116 0.000 1.025 339 T HN 0.120 nan 8.240 nan 0.000 0.529 340 D N -0.511 120.020 120.400 0.218 0.000 2.351 340 D HA -0.068 4.572 4.640 -0.000 0.000 0.216 340 D C 1.218 177.722 176.300 0.340 0.000 0.968 340 D CA 0.529 54.676 54.000 0.245 0.000 0.899 340 D CB -0.108 40.779 40.800 0.145 0.000 0.907 340 D HN 0.658 nan 8.370 nan 0.000 0.514 341 W N 1.984 123.369 121.300 0.142 0.000 2.358 341 W HA -0.173 4.487 4.660 -0.000 0.000 0.303 341 W C 1.928 178.592 176.519 0.241 0.000 1.208 341 W CA 1.387 58.856 57.345 0.207 0.000 1.274 341 W CB -0.870 28.684 29.460 0.156 0.000 1.138 341 W HN -0.109 nan 8.180 nan 0.000 0.515 342 T N 1.672 116.448 114.554 0.369 0.000 2.635 342 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 342 T C 1.827 176.743 174.700 0.361 0.000 1.040 342 T CA 2.409 64.667 62.100 0.264 0.000 1.156 342 T CB -0.590 68.398 68.868 0.199 0.000 0.863 342 T HN -0.029 nan 8.240 nan 0.000 0.430 343 I N 1.454 122.249 120.570 0.375 0.000 2.248 343 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 343 I C 2.640 179.036 176.117 0.466 0.000 1.107 343 I CA 1.289 62.846 61.300 0.428 0.000 1.373 343 I CB -0.984 37.248 38.000 0.386 0.000 1.055 343 I HN 0.326 nan 8.210 nan 0.000 0.418 344 G N -1.061 107.989 108.800 0.417 0.000 2.404 344 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.215 344 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.215 344 G C 1.632 176.709 174.900 0.296 0.000 1.174 344 G CA 1.230 46.522 45.100 0.320 0.000 0.780 344 G HN 0.496 nan 8.290 nan 0.000 0.537 345 H N 0.675 119.952 119.070 0.345 0.000 2.289 345 H HA -0.107 4.449 4.556 -0.000 0.000 0.296 345 H C 2.508 177.918 175.328 0.137 0.000 1.091 345 H CA 2.052 58.249 56.048 0.248 0.000 1.274 345 H CB -0.548 29.310 29.762 0.160 0.000 1.364 345 H HN 0.095 nan 8.280 nan 0.000 0.490 346 V N 0.667 120.537 119.914 -0.073 0.000 2.250 346 V HA -0.352 3.768 4.120 -0.000 0.000 0.250 346 V C 2.315 178.205 176.094 -0.340 0.000 1.060 346 V CA 2.615 64.774 62.300 -0.235 0.000 1.030 346 V CB -0.776 31.021 31.823 -0.042 0.000 0.643 346 V HN 0.611 nan 8.190 nan 0.000 0.445 347 H N -0.369 118.551 119.070 -0.249 0.000 2.470 347 H HA 0.202 4.758 4.556 -0.000 0.000 0.289 347 H C 2.138 177.188 175.328 -0.463 0.000 1.033 347 H CA 1.026 56.773 56.048 -0.502 0.000 1.331 347 H CB -0.465 28.634 29.762 -1.105 0.000 1.414 347 H HN 0.440 nan 8.280 nan 0.000 0.545 348 A N 0.588 123.289 122.820 -0.198 0.000 1.849 348 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 348 A C 2.738 180.260 177.584 -0.103 0.000 1.202 348 A CA 1.926 53.880 52.037 -0.139 0.000 0.629 348 A CB -1.392 17.657 19.000 0.081 0.000 0.834 348 A HN 0.507 nan 8.150 nan 0.000 0.447 349 G N -0.968 107.790 108.800 -0.070 0.000 2.440 349 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.218 349 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.218 349 G C 1.710 176.591 174.900 -0.031 0.000 1.154 349 G CA 1.785 46.904 45.100 0.032 0.000 0.767 349 G HN 0.880 nan 8.290 nan 0.000 0.552 350 A N 0.302 122.978 122.820 -0.239 0.000 1.854 350 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 350 A C 2.447 179.837 177.584 -0.322 0.000 1.192 350 A CA 1.174 53.019 52.037 -0.320 0.000 0.611 350 A CB -0.353 18.354 19.000 -0.488 0.000 0.832 350 A HN 0.318 nan 8.150 nan 0.000 0.442 351 L N -0.998 119.958 121.223 -0.445 0.000 2.049 351 L HA 0.014 4.354 4.340 -0.000 0.000 0.203 351 L C 2.855 179.525 176.870 -0.332 0.000 1.074 351 L CA 1.109 55.588 54.840 -0.600 0.000 0.749 351 L CB -0.981 40.491 42.059 -0.978 0.000 0.907 351 L HN 0.468 nan 8.230 nan 0.000 0.439 352 G N -0.717 107.814 108.800 -0.447 0.000 2.408 352 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 352 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 352 G C 1.325 176.323 174.900 0.164 0.000 1.150 352 G CA 0.359 45.146 45.100 -0.522 0.000 0.776 352 G HN 0.543 nan 8.290 nan 0.000 0.542 353 W N 0.104 121.395 121.300 -0.014 0.000 3.008 353 W HA 0.055 4.715 4.660 -0.000 0.000 0.273 353 W C 1.939 178.418 176.519 -0.067 0.000 1.012 353 W CA 0.589 57.976 57.345 0.069 0.000 1.885 353 W CB -0.291 29.265 29.460 0.160 0.000 1.150 353 W HN 0.002 nan 8.180 nan 0.000 0.564 354 V N 2.871 122.332 119.914 -0.756 0.000 2.231 354 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 354 V C 2.803 178.561 176.094 -0.561 0.000 1.054 354 V CA 3.178 64.770 62.300 -1.180 0.000 1.015 354 V CB -1.785 29.449 31.823 -0.982 0.000 0.638 354 V HN 0.397 nan 8.190 nan 0.000 0.444 355 A N -0.430 122.315 122.820 -0.126 0.000 1.865 355 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 355 A C 2.251 179.949 177.584 0.189 0.000 1.191 355 A CA 2.375 54.556 52.037 0.241 0.000 0.623 355 A CB -0.526 18.662 19.000 0.313 0.000 0.826 355 A HN 0.467 nan 8.150 nan 0.000 0.444 356 M N -0.938 118.771 119.600 0.182 0.000 2.065 356 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 356 M C 2.273 178.656 176.300 0.137 0.000 1.069 356 M CA 1.664 57.137 55.300 0.287 0.000 1.110 356 M CB -1.172 31.644 32.600 0.359 0.000 1.328 356 M HN 0.300 nan 8.290 nan 0.000 0.405 357 V N 0.860 120.756 119.914 -0.031 0.000 2.343 357 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 357 V C 2.549 178.550 176.094 -0.155 0.000 1.051 357 V CA 2.494 64.725 62.300 -0.114 0.000 1.036 357 V CB -0.411 31.187 31.823 -0.374 0.000 0.654 357 V HN 0.624 nan 8.190 nan 0.000 0.451 358 S N -0.222 115.392 115.700 -0.143 0.000 2.387 358 S HA -0.086 4.384 4.470 -0.000 0.000 0.226 358 S C 1.947 176.422 174.600 -0.209 0.000 1.026 358 S CA 1.188 59.294 58.200 -0.157 0.000 0.972 358 S CB -0.398 62.750 63.200 -0.088 0.000 0.814 358 S HN 0.442 nan 8.310 nan 0.000 0.477 359 I N 3.162 123.635 120.570 -0.161 0.000 2.069 359 I HA -0.174 3.996 4.170 -0.000 0.000 0.237 359 I C 2.906 178.758 176.117 -0.440 0.000 1.053 359 I CA 1.904 62.981 61.300 -0.372 0.000 1.311 359 I CB -2.235 35.416 38.000 -0.582 0.000 1.030 359 I HN 0.443 nan 8.210 nan 0.000 0.398 360 G N 0.594 109.187 108.800 -0.345 0.000 2.529 360 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 360 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 360 G C 1.857 176.657 174.900 -0.168 0.000 1.177 360 G CA 1.651 46.676 45.100 -0.126 0.000 0.773 360 G HN 0.552 nan 8.290 nan 0.000 0.573 361 A N 0.386 122.959 122.820 -0.411 0.000 1.883 361 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 361 A C 2.511 179.719 177.584 -0.626 0.000 1.186 361 A CA 1.598 53.044 52.037 -0.986 0.000 0.624 361 A CB -0.452 17.771 19.000 -1.296 0.000 0.822 361 A HN 0.386 nan 8.150 nan 0.000 0.444 362 L N -2.376 118.604 121.223 -0.405 0.000 2.005 362 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 362 L C 2.588 179.368 176.870 -0.149 0.000 1.072 362 L CA 1.645 56.320 54.840 -0.275 0.000 0.744 362 L CB -0.768 41.120 42.059 -0.284 0.000 0.895 362 L HN 0.501 nan 8.230 nan 0.000 0.433 363 Y N -0.766 119.454 120.300 -0.132 0.000 2.181 363 Y HA -0.405 4.145 4.550 -0.000 0.000 0.284 363 Y C 2.801 178.698 175.900 -0.006 0.000 1.179 363 Y CA 1.717 59.773 58.100 -0.074 0.000 1.179 363 Y CB -0.326 38.070 38.460 -0.106 0.000 0.973 363 Y HN 0.315 nan 8.280 nan 0.000 0.519 364 H N 0.043 119.170 119.070 0.096 0.000 2.299 364 H HA -0.154 4.402 4.556 -0.000 0.000 0.302 364 H C 2.009 177.394 175.328 0.096 0.000 1.078 364 H CA 2.056 58.190 56.048 0.142 0.000 1.323 364 H CB -0.193 29.747 29.762 0.297 0.000 1.381 364 H HN 0.278 nan 8.280 nan 0.000 0.498 365 L N -1.073 120.269 121.223 0.199 0.000 2.162 365 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 365 L C 2.157 178.952 176.870 -0.126 0.000 1.086 365 L CA 0.876 55.663 54.840 -0.089 0.000 0.778 365 L CB -0.911 40.910 42.059 -0.397 0.000 0.928 365 L HN 0.116 nan 8.230 nan 0.000 0.446 366 V N 0.932 120.829 119.914 -0.028 0.000 2.252 366 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 366 V C 0.260 176.464 176.094 0.183 0.000 1.056 366 V CA 2.632 64.988 62.300 0.092 0.000 1.022 366 V CB -1.934 29.910 31.823 0.034 0.000 0.641 366 V HN 0.396 nan 8.190 nan 0.000 0.445 367 P HA -0.148 nan 4.420 nan 0.000 0.213 367 P C 1.616 179.005 177.300 0.147 0.000 1.170 367 P CA 1.386 64.545 63.100 0.098 0.000 0.898 367 P CB -0.105 31.616 31.700 0.035 0.000 0.787 368 K N -0.416 120.042 120.400 0.097 0.000 2.052 368 K HA -0.160 4.160 4.320 -0.000 0.000 0.215 368 K C 1.954 178.712 176.600 0.264 0.000 1.053 368 K CA 1.657 58.058 56.287 0.191 0.000 0.934 368 K CB -1.555 31.060 32.500 0.191 0.000 0.717 368 K HN -0.046 nan 8.250 nan 0.000 0.450 369 V N -0.211 119.741 119.914 0.063 0.000 2.759 369 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 369 V C 1.191 177.288 176.094 0.005 0.000 1.080 369 V CA 1.280 63.531 62.300 -0.081 0.000 1.101 369 V CB -0.440 31.174 31.823 -0.349 0.000 0.698 369 V HN 0.193 nan 8.190 nan 0.000 0.477 370 F N 0.754 120.747 119.950 0.072 0.000 2.660 370 F HA 0.476 5.003 4.527 -0.000 0.000 0.297 370 F C 1.612 177.463 175.800 0.086 0.000 1.132 370 F CA 0.204 58.242 58.000 0.064 0.000 1.372 370 F CB -0.343 38.661 39.000 0.007 0.000 1.003 370 F HN 0.211 nan 8.300 nan 0.000 0.524 371 G N 2.339 111.297 108.800 0.263 0.000 2.352 371 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.283 371 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.283 371 G C -0.072 174.904 174.900 0.126 0.000 0.946 371 G CA 0.436 45.670 45.100 0.224 0.000 1.317 371 G HN 0.542 nan 8.290 nan 0.000 0.478 372 R N -0.090 120.478 120.500 0.113 0.000 2.561 372 R HA 0.487 4.827 4.340 -0.000 0.000 0.266 372 R C 0.972 177.289 176.300 0.029 0.000 1.091 372 R CA -0.331 55.796 56.100 0.045 0.000 0.927 372 R CB 0.696 31.032 30.300 0.060 0.000 1.240 372 R HN 0.081 nan 8.270 nan 0.000 0.449 373 E N 2.494 122.685 120.200 -0.016 0.000 2.208 373 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 373 E C -0.063 176.529 176.600 -0.013 0.000 0.988 373 E CA 1.021 57.410 56.400 -0.018 0.000 0.828 373 E CB -0.094 29.580 29.700 -0.042 0.000 0.763 373 E HN 0.680 nan 8.360 nan 0.000 0.478 374 Q N -1.732 118.061 119.800 -0.012 0.000 2.782 374 Q HA 0.359 4.699 4.340 -0.000 0.000 0.308 374 Q C -0.610 175.391 176.000 0.001 0.000 0.883 374 Q CA -1.028 54.767 55.803 -0.014 0.000 0.755 374 Q CB 0.537 29.260 28.738 -0.026 0.000 1.454 374 Q HN -0.163 nan 8.270 nan 0.000 0.452 375 M N 1.449 121.055 119.600 0.010 0.000 2.219 375 M HA 0.002 4.482 4.480 -0.000 0.000 0.307 375 M C 1.366 177.684 176.300 0.030 0.000 1.116 375 M CA 0.609 55.932 55.300 0.039 0.000 1.181 375 M CB -0.249 32.390 32.600 0.065 0.000 1.410 375 M HN 0.880 nan 8.290 nan 0.000 0.454 376 H N 0.351 119.391 119.070 -0.050 0.000 2.321 376 H HA -0.035 4.521 4.556 -0.000 0.000 0.300 376 H C 0.067 175.372 175.328 -0.037 0.000 1.087 376 H CA 1.412 57.417 56.048 -0.070 0.000 1.319 376 H CB 0.492 30.181 29.762 -0.121 0.000 1.379 376 H HN 0.518 nan 8.280 nan 0.000 0.501 377 S N -0.562 115.053 115.700 -0.141 0.000 2.672 377 S HA 0.276 4.746 4.470 -0.000 0.000 0.291 377 S C 0.753 175.309 174.600 -0.073 0.000 1.145 377 S CA -0.822 57.275 58.200 -0.171 0.000 1.013 377 S CB 0.985 64.121 63.200 -0.108 0.000 1.017 377 S HN 0.337 nan 8.310 nan 0.000 0.487 378 I N 4.217 124.737 120.570 -0.083 0.000 2.439 378 I HA 0.049 4.219 4.170 -0.000 0.000 0.251 378 I C 2.523 178.614 176.117 -0.044 0.000 1.139 378 I CA 1.162 62.415 61.300 -0.079 0.000 1.438 378 I CB -0.427 37.531 38.000 -0.070 0.000 1.085 378 I HN 0.875 nan 8.210 nan 0.000 0.427 379 G N 1.257 110.048 108.800 -0.015 0.000 2.469 379 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 379 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 379 G C 1.615 176.557 174.900 0.071 0.000 1.150 379 G CA 0.622 45.740 45.100 0.031 0.000 0.763 379 G HN 0.319 nan 8.290 nan 0.000 0.561 380 L N 0.151 121.419 121.223 0.075 0.000 2.465 380 L HA 0.142 4.482 4.340 -0.000 0.000 0.224 380 L C 2.605 179.561 176.870 0.143 0.000 1.145 380 L CA 0.089 55.010 54.840 0.136 0.000 0.834 380 L CB -0.212 41.958 42.059 0.185 0.000 0.944 380 L HN 0.250 nan 8.230 nan 0.000 0.451 381 I N -0.469 120.098 120.570 -0.006 0.000 2.406 381 I HA -0.233 3.937 4.170 -0.000 0.000 0.249 381 I C 2.390 178.595 176.117 0.146 0.000 1.122 381 I CA 0.995 62.213 61.300 -0.138 0.000 1.431 381 I CB -0.329 37.393 38.000 -0.464 0.000 1.087 381 I HN 0.378 nan 8.210 nan 0.000 0.424 382 N N 0.791 119.550 118.700 0.099 0.000 2.135 382 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 382 N C 2.002 177.693 175.510 0.301 0.000 1.027 382 N CA 2.163 55.293 53.050 0.133 0.000 0.849 382 N CB 0.095 38.655 38.487 0.122 0.000 1.002 382 N HN 0.380 nan 8.380 nan 0.000 0.425 383 T N -2.031 112.701 114.554 0.296 0.000 2.833 383 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 383 T C 1.875 176.784 174.700 0.348 0.000 1.054 383 T CA 1.354 63.650 62.100 0.327 0.000 1.135 383 T CB -0.823 68.175 68.868 0.217 0.000 0.869 383 T HN 0.388 nan 8.240 nan 0.000 0.466 384 H N -0.444 118.768 119.070 0.237 0.000 2.290 384 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 384 H C 2.063 177.531 175.328 0.233 0.000 1.087 384 H CA 1.555 57.765 56.048 0.270 0.000 1.291 384 H CB -0.350 29.674 29.762 0.438 0.000 1.369 384 H HN 0.413 nan 8.280 nan 0.000 0.492 385 F N 0.346 120.310 119.950 0.023 0.000 2.091 385 F HA -0.286 4.241 4.527 -0.000 0.000 0.299 385 F C 1.764 177.276 175.800 -0.479 0.000 1.103 385 F CA 1.941 59.503 58.000 -0.731 0.000 1.228 385 F CB -0.622 37.731 39.000 -1.077 0.000 0.984 385 F HN 0.234 nan 8.300 nan 0.000 0.477 386 W N 0.507 121.815 121.300 0.014 0.000 2.381 386 W HA -0.107 4.553 4.660 -0.000 0.000 0.301 386 W C 2.350 178.825 176.519 -0.074 0.000 1.205 386 W CA 1.070 58.382 57.345 -0.055 0.000 1.285 386 W CB -0.633 28.890 29.460 0.105 0.000 1.133 386 W HN 0.005 nan 8.180 nan 0.000 0.521 387 L N 0.016 121.366 121.223 0.211 0.000 2.012 387 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 387 L C 2.646 179.551 176.870 0.058 0.000 1.073 387 L CA 1.459 56.383 54.840 0.139 0.000 0.748 387 L CB -1.327 40.806 42.059 0.123 0.000 0.891 387 L HN 0.021 nan 8.230 nan 0.000 0.431 388 A N -0.632 122.149 122.820 -0.065 0.000 1.930 388 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 388 A C 2.349 179.948 177.584 0.024 0.000 1.175 388 A CA 2.204 54.131 52.037 -0.183 0.000 0.627 388 A CB -0.758 18.062 19.000 -0.299 0.000 0.815 388 A HN 0.405 nan 8.150 nan 0.000 0.443 389 T N 0.593 115.011 114.554 -0.226 0.000 2.732 389 T HA -0.055 4.295 4.350 -0.000 0.000 0.261 389 T C 1.852 176.598 174.700 0.077 0.000 1.040 389 T CA 1.301 63.313 62.100 -0.148 0.000 1.145 389 T CB -0.302 68.287 68.868 -0.466 0.000 0.866 389 T HN 0.304 nan 8.240 nan 0.000 0.427 390 I N 1.944 122.592 120.570 0.131 0.000 2.118 390 I HA -0.177 3.993 4.170 -0.000 0.000 0.241 390 I C 2.911 179.117 176.117 0.149 0.000 1.070 390 I CA 1.844 63.241 61.300 0.160 0.000 1.327 390 I CB -1.990 36.109 38.000 0.165 0.000 1.034 390 I HN 0.337 nan 8.210 nan 0.000 0.405 391 G N 0.527 109.439 108.800 0.187 0.000 2.491 391 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 391 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 391 G C 1.688 176.707 174.900 0.199 0.000 1.180 391 G CA 1.718 46.968 45.100 0.250 0.000 0.774 391 G HN 0.353 nan 8.290 nan 0.000 0.562 392 T N 0.668 115.312 114.554 0.150 0.000 2.684 392 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 392 T C 2.566 177.233 174.700 -0.054 0.000 1.036 392 T CA 1.430 63.471 62.100 -0.100 0.000 1.148 392 T CB -0.370 68.275 68.868 -0.371 0.000 0.863 392 T HN 0.061 nan 8.240 nan 0.000 0.436 393 V N 1.345 121.289 119.914 0.049 0.000 2.295 393 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 393 V C 2.501 178.606 176.094 0.019 0.000 1.049 393 V CA 1.475 63.820 62.300 0.076 0.000 1.024 393 V CB -0.718 31.195 31.823 0.150 0.000 0.648 393 V HN 0.398 nan 8.190 nan 0.000 0.447 394 L N -1.479 119.773 121.223 0.049 0.000 2.012 394 L HA -0.257 4.082 4.340 -0.000 0.000 0.210 394 L C 2.410 179.274 176.870 -0.011 0.000 1.073 394 L CA 2.264 57.115 54.840 0.019 0.000 0.748 394 L CB -0.624 41.458 42.059 0.038 0.000 0.891 394 L HN 0.353 nan 8.230 nan 0.000 0.431 395 Y N 0.406 120.636 120.300 -0.116 0.000 2.053 395 Y HA -0.366 4.184 4.550 -0.000 0.000 0.277 395 Y C 2.519 178.281 175.900 -0.230 0.000 1.159 395 Y CA 1.935 59.937 58.100 -0.164 0.000 1.125 395 Y CB -0.085 38.268 38.460 -0.179 0.000 0.969 395 Y HN 0.031 nan 8.280 nan 0.000 0.492 396 I N -0.086 120.470 120.570 -0.023 0.000 2.091 396 I HA -0.448 3.722 4.170 -0.000 0.000 0.239 396 I C 2.713 178.462 176.117 -0.613 0.000 1.061 396 I CA 1.408 62.467 61.300 -0.402 0.000 1.317 396 I CB -0.903 36.766 38.000 -0.552 0.000 1.031 396 I HN 0.378 nan 8.210 nan 0.000 0.401 397 A N 0.921 123.509 122.820 -0.387 0.000 1.873 397 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 397 A C 2.505 180.020 177.584 -0.115 0.000 1.193 397 A CA 2.968 54.892 52.037 -0.188 0.000 0.629 397 A CB -1.178 17.787 19.000 -0.059 0.000 0.826 397 A HN 0.577 nan 8.150 nan 0.000 0.447 398 S N -1.030 114.591 115.700 -0.132 0.000 2.382 398 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 398 S C 1.906 176.428 174.600 -0.130 0.000 1.027 398 S CA 1.827 59.944 58.200 -0.139 0.000 0.991 398 S CB -0.453 62.636 63.200 -0.184 0.000 0.823 398 S HN 0.377 nan 8.310 nan 0.000 0.469 399 M N -0.018 119.510 119.600 -0.120 0.000 2.200 399 M HA 0.072 4.552 4.480 -0.000 0.000 0.265 399 M C 1.911 178.233 176.300 0.036 0.000 1.066 399 M CA 0.769 56.051 55.300 -0.030 0.000 1.127 399 M CB -1.429 31.211 32.600 0.068 0.000 1.379 399 M HN 0.440 nan 8.290 nan 0.000 0.420 400 W N 0.442 121.668 121.300 -0.124 0.000 2.355 400 W HA -0.101 4.559 4.660 -0.000 0.000 0.309 400 W C 2.533 178.871 176.519 -0.302 0.000 1.206 400 W CA 0.673 57.827 57.345 -0.319 0.000 1.284 400 W CB -1.624 27.647 29.460 -0.314 0.000 1.145 400 W HN 0.003 nan 8.180 nan 0.000 0.502 401 V N 1.268 121.193 119.914 0.017 0.000 2.231 401 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 401 V C 2.193 178.196 176.094 -0.152 0.000 1.054 401 V CA 2.460 64.709 62.300 -0.085 0.000 1.015 401 V CB -1.191 30.579 31.823 -0.088 0.000 0.638 401 V HN 0.083 nan 8.190 nan 0.000 0.444 402 N N 0.625 119.227 118.700 -0.163 0.000 2.036 402 N HA -0.151 4.589 4.740 -0.000 0.000 0.195 402 N C 1.838 177.228 175.510 -0.200 0.000 1.037 402 N CA 1.828 54.744 53.050 -0.223 0.000 0.855 402 N CB -0.986 37.362 38.487 -0.231 0.000 1.033 402 N HN 0.499 nan 8.380 nan 0.000 0.423 403 G N 1.128 109.874 108.800 -0.090 0.000 2.446 403 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 403 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 403 G C 1.398 176.231 174.900 -0.112 0.000 1.168 403 G CA 0.662 45.755 45.100 -0.011 0.000 0.771 403 G HN 0.165 nan 8.290 nan 0.000 0.551 404 I N 2.064 122.509 120.570 -0.209 0.000 2.142 404 I HA -0.145 4.025 4.170 -0.000 0.000 0.240 404 I C 3.318 179.294 176.117 -0.235 0.000 1.078 404 I CA 1.072 62.234 61.300 -0.230 0.000 1.343 404 I CB -1.498 36.335 38.000 -0.278 0.000 1.046 404 I HN 0.268 nan 8.210 nan 0.000 0.405 405 A N 0.206 122.867 122.820 -0.265 0.000 1.873 405 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 405 A C 2.298 179.618 177.584 -0.441 0.000 1.193 405 A CA 2.082 53.926 52.037 -0.320 0.000 0.629 405 A CB -0.808 18.002 19.000 -0.318 0.000 0.826 405 A HN 0.522 nan 8.150 nan 0.000 0.447 406 Q N -1.013 118.456 119.800 -0.551 0.000 1.967 406 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 406 Q C 2.347 177.738 176.000 -1.016 0.000 0.985 406 Q CA 1.426 56.627 55.803 -1.003 0.000 0.839 406 Q CB -0.658 27.413 28.738 -1.111 0.000 0.906 406 Q HN 0.665 nan 8.270 nan 0.000 0.423 407 G N 1.336 109.794 108.800 -0.570 0.000 2.553 407 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 407 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 407 G C 1.395 176.252 174.900 -0.071 0.000 1.195 407 G CA 1.160 46.157 45.100 -0.172 0.000 0.779 407 G HN 0.312 nan 8.290 nan 0.000 0.577 408 L N -0.249 120.903 121.223 -0.118 0.000 1.970 408 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 408 L C 3.042 179.898 176.870 -0.024 0.000 1.071 408 L CA 1.938 56.744 54.840 -0.057 0.000 0.751 408 L CB -0.159 41.843 42.059 -0.096 0.000 0.889 408 L HN 0.282 nan 8.230 nan 0.000 0.432 409 M N -1.678 117.816 119.600 -0.177 0.000 2.159 409 M HA -0.244 4.236 4.480 -0.000 0.000 0.263 409 M C 2.057 178.480 176.300 0.204 0.000 1.063 409 M CA 1.652 56.873 55.300 -0.132 0.000 1.110 409 M CB -0.453 31.836 32.600 -0.519 0.000 1.374 409 M HN 0.405 nan 8.290 nan 0.000 0.411 410 W N 1.037 122.375 121.300 0.064 0.000 2.358 410 W HA -0.138 4.522 4.660 -0.000 0.000 0.303 410 W C 2.544 179.139 176.519 0.127 0.000 1.208 410 W CA 1.390 58.806 57.345 0.117 0.000 1.274 410 W CB -0.880 28.662 29.460 0.136 0.000 1.138 410 W HN 0.363 nan 8.180 nan 0.000 0.515 411 R N 0.336 121.040 120.500 0.340 0.000 2.290 411 R HA 0.431 4.771 4.340 -0.000 0.000 0.197 411 R C 0.909 177.309 176.300 0.165 0.000 0.913 411 R CA 0.520 56.752 56.100 0.220 0.000 1.040 411 R CB -0.700 29.706 30.300 0.177 0.000 0.992 411 R HN -0.151 nan 8.270 nan 0.000 0.500 412 A N 2.403 125.341 122.820 0.197 0.000 2.553 412 A HA 0.157 4.477 4.320 -0.000 0.000 0.258 412 A C -0.038 177.599 177.584 0.089 0.000 1.069 412 A CA 0.241 52.377 52.037 0.164 0.000 0.767 412 A CB -0.286 18.893 19.000 0.298 0.000 0.997 412 A HN 0.390 nan 8.150 nan 0.000 0.512 413 I N 3.154 123.751 120.570 0.045 0.000 2.525 413 I HA 0.197 4.367 4.170 -0.000 0.000 0.301 413 I C 0.755 176.862 176.117 -0.017 0.000 0.992 413 I CA -0.504 60.804 61.300 0.013 0.000 1.162 413 I CB 1.521 39.532 38.000 0.020 0.000 1.332 413 I HN 0.742 nan 8.210 nan 0.000 0.458 414 N N 3.035 121.714 118.700 -0.036 0.000 2.364 414 N HA 0.021 4.761 4.740 -0.000 0.000 0.264 414 N C 0.276 175.770 175.510 -0.026 0.000 1.263 414 N CA -0.361 52.662 53.050 -0.045 0.000 0.959 414 N CB 0.748 39.199 38.487 -0.060 0.000 1.204 414 N HN 0.623 nan 8.380 nan 0.000 0.550 415 D N -0.325 120.060 120.400 -0.026 0.000 2.263 415 D HA -0.182 4.458 4.640 -0.000 0.000 0.208 415 D C 0.524 176.816 176.300 -0.014 0.000 0.971 415 D CA 1.172 55.162 54.000 -0.017 0.000 0.867 415 D CB -0.357 40.433 40.800 -0.017 0.000 0.929 415 D HN 0.555 nan 8.370 nan 0.000 0.492 416 D N -1.416 118.974 120.400 -0.017 0.000 2.388 416 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 416 D C 1.610 177.904 176.300 -0.011 0.000 1.133 416 D CA 0.172 54.164 54.000 -0.013 0.000 0.831 416 D CB 0.054 40.845 40.800 -0.015 0.000 0.962 416 D HN 0.284 nan 8.370 nan 0.000 0.502 417 G N 0.321 109.116 108.800 -0.010 0.000 2.234 417 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 417 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 417 G C 0.620 175.518 174.900 -0.003 0.000 0.987 417 G CA 0.643 45.740 45.100 -0.004 0.000 0.625 417 G HN 0.813 nan 8.290 nan 0.000 0.532 418 T N -0.252 114.295 114.554 -0.010 0.000 2.899 418 T HA 0.617 4.967 4.350 -0.000 0.000 0.295 418 T C 0.734 175.427 174.700 -0.012 0.000 1.033 418 T CA -0.589 61.505 62.100 -0.009 0.000 1.084 418 T CB 1.621 70.479 68.868 -0.017 0.000 0.979 418 T HN 0.544 nan 8.240 nan 0.000 0.532 419 L N 2.707 123.931 121.223 0.002 0.000 2.455 419 L HA 0.127 4.466 4.340 -0.000 0.000 0.272 419 L C 1.798 178.647 176.870 -0.035 0.000 1.174 419 L CA -0.323 54.527 54.840 0.017 0.000 0.869 419 L CB 0.387 42.480 42.059 0.056 0.000 1.130 419 L HN 0.928 nan 8.230 nan 0.000 0.474 420 T N 1.722 116.220 114.554 -0.094 0.000 2.857 420 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 420 T C -0.137 174.277 174.700 -0.477 0.000 1.048 420 T CA 1.290 63.175 62.100 -0.357 0.000 1.139 420 T CB -0.095 68.418 68.868 -0.593 0.000 0.874 420 T HN 0.290 nan 8.240 nan 0.000 0.455 421 Y N 1.152 121.486 120.300 0.057 0.000 2.425 421 Y HA 0.471 5.021 4.550 -0.000 0.000 0.344 421 Y C 0.549 176.505 175.900 0.092 0.000 0.969 421 Y CA -1.527 56.608 58.100 0.059 0.000 1.052 421 Y CB 1.298 39.788 38.460 0.049 0.000 1.215 421 Y HN -0.011 nan 8.280 nan 0.000 0.451 422 S N 1.594 117.438 115.700 0.240 0.000 2.589 422 S HA 0.025 4.495 4.470 -0.000 0.000 0.265 422 S C 0.736 175.487 174.600 0.253 0.000 1.342 422 S CA -0.502 57.822 58.200 0.207 0.000 1.005 422 S CB 0.432 63.722 63.200 0.151 0.000 0.909 422 S HN 0.728 nan 8.310 nan 0.000 0.555 423 F N 1.550 121.579 119.950 0.132 0.000 2.171 423 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 423 F C 2.032 177.924 175.800 0.153 0.000 1.090 423 F CA 1.350 59.444 58.000 0.156 0.000 1.293 423 F CB -0.388 38.637 39.000 0.043 0.000 1.013 423 F HN 0.425 nan 8.300 nan 0.000 0.486 424 V N 0.204 120.237 119.914 0.198 0.000 2.515 424 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 424 V C 2.151 178.242 176.094 -0.006 0.000 1.058 424 V CA 2.130 64.490 62.300 0.100 0.000 1.064 424 V CB -0.526 31.371 31.823 0.124 0.000 0.675 424 V HN 0.327 nan 8.190 nan 0.000 0.461 425 E N 0.366 120.578 120.200 0.021 0.000 2.118 425 E HA -0.214 4.135 4.350 -0.000 0.000 0.195 425 E C 2.379 178.896 176.600 -0.138 0.000 0.992 425 E CA 1.653 58.046 56.400 -0.012 0.000 0.804 425 E CB -0.214 29.546 29.700 0.101 0.000 0.741 425 E HN 0.742 nan 8.360 nan 0.000 0.458 426 S N 0.839 116.424 115.700 -0.192 0.000 2.368 426 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 426 S C 2.066 176.465 174.600 -0.334 0.000 1.029 426 S CA 0.551 58.556 58.200 -0.325 0.000 0.988 426 S CB -0.369 62.643 63.200 -0.314 0.000 0.838 426 S HN 0.244 nan 8.310 nan 0.000 0.462 427 L N 1.132 122.168 121.223 -0.312 0.000 2.012 427 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 427 L C 2.805 179.591 176.870 -0.139 0.000 1.073 427 L CA 2.205 56.935 54.840 -0.183 0.000 0.748 427 L CB -0.640 41.385 42.059 -0.056 0.000 0.891 427 L HN 0.492 nan 8.230 nan 0.000 0.431 428 E N -0.353 119.779 120.200 -0.113 0.000 2.051 428 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 428 E C 2.160 178.675 176.600 -0.142 0.000 0.991 428 E CA 1.185 57.529 56.400 -0.093 0.000 0.799 428 E CB -0.183 29.476 29.700 -0.069 0.000 0.748 428 E HN 0.586 nan 8.360 nan 0.000 0.449 429 A N 0.822 123.524 122.820 -0.197 0.000 1.997 429 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 429 A C 2.234 179.638 177.584 -0.300 0.000 1.172 429 A CA 1.893 53.787 52.037 -0.237 0.000 0.645 429 A CB -0.446 18.375 19.000 -0.298 0.000 0.813 429 A HN 0.145 nan 8.150 nan 0.000 0.454 430 S N -1.671 113.785 115.700 -0.407 0.000 2.489 430 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 430 S C 1.720 175.809 174.600 -0.851 0.000 0.995 430 S CA 0.438 58.214 58.200 -0.707 0.000 0.934 430 S CB -0.475 62.137 63.200 -0.979 0.000 0.771 430 S HN 0.770 nan 8.310 nan 0.000 0.522 431 H N 2.397 121.155 119.070 -0.520 0.000 2.319 431 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 431 H C -0.945 174.224 175.328 -0.264 0.000 1.092 431 H CA 1.810 57.668 56.048 -0.316 0.000 1.302 431 H CB -0.967 28.707 29.762 -0.145 0.000 1.373 431 H HN 0.247 nan 8.280 nan 0.000 0.497 432 P HA -0.126 nan 4.420 nan 0.000 0.215 432 P C 1.699 178.835 177.300 -0.274 0.000 1.157 432 P CA 1.961 64.945 63.100 -0.193 0.000 0.874 432 P CB -0.660 30.966 31.700 -0.122 0.000 0.790 433 G N -1.070 107.531 108.800 -0.332 0.000 2.469 433 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 433 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 433 G C 1.210 175.944 174.900 -0.277 0.000 1.150 433 G CA 0.566 45.475 45.100 -0.318 0.000 0.763 433 G HN 0.112 nan 8.290 nan 0.000 0.561 434 F N 0.656 120.366 119.950 -0.398 0.000 2.161 434 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 434 F C 2.822 178.284 175.800 -0.564 0.000 1.089 434 F CA 0.146 57.849 58.000 -0.494 0.000 1.282 434 F CB -0.866 37.787 39.000 -0.578 0.000 1.010 434 F HN 0.009 nan 8.300 nan 0.000 0.485 435 V N -1.061 118.616 119.914 -0.395 0.000 2.346 435 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 435 V C 2.373 178.349 176.094 -0.196 0.000 1.037 435 V CA 1.117 63.197 62.300 -0.366 0.000 1.029 435 V CB -0.666 30.983 31.823 -0.290 0.000 0.663 435 V HN 0.105 nan 8.190 nan 0.000 0.454 436 V N 0.351 120.158 119.914 -0.178 0.000 2.343 436 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 436 V C 2.581 178.567 176.094 -0.179 0.000 1.051 436 V CA 2.447 64.668 62.300 -0.132 0.000 1.036 436 V CB -0.824 30.926 31.823 -0.122 0.000 0.654 436 V HN 0.505 nan 8.190 nan 0.000 0.451 437 R N -0.343 119.987 120.500 -0.282 0.000 2.073 437 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 437 R C 2.392 178.458 176.300 -0.388 0.000 1.134 437 R CA 1.973 57.782 56.100 -0.486 0.000 0.952 437 R CB -0.345 29.544 30.300 -0.686 0.000 0.850 437 R HN 0.419 nan 8.270 nan 0.000 0.433 438 M N 0.763 120.192 119.600 -0.284 0.000 2.106 438 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 438 M C 1.967 178.237 176.300 -0.049 0.000 1.068 438 M CA 1.741 56.937 55.300 -0.174 0.000 1.100 438 M CB -0.278 32.215 32.600 -0.178 0.000 1.351 438 M HN 0.254 nan 8.290 nan 0.000 0.404 439 I N -0.478 120.075 120.570 -0.027 0.000 2.252 439 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 439 I C 2.569 178.721 176.117 0.058 0.000 1.102 439 I CA 1.128 62.453 61.300 0.040 0.000 1.385 439 I CB -1.017 37.008 38.000 0.042 0.000 1.064 439 I HN 0.378 nan 8.210 nan 0.000 0.414 440 G N 0.719 109.527 108.800 0.013 0.000 2.491 440 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 440 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 440 G C 1.740 176.751 174.900 0.186 0.000 1.180 440 G CA 0.957 46.104 45.100 0.078 0.000 0.774 440 G HN 0.491 nan 8.290 nan 0.000 0.562 441 G N 1.005 109.902 108.800 0.160 0.000 2.418 441 G HA2 0.049 4.009 3.960 -0.000 0.000 0.217 441 G HA3 0.049 4.009 3.960 -0.000 0.000 0.217 441 G C 2.075 177.145 174.900 0.283 0.000 1.158 441 G CA 1.576 46.829 45.100 0.255 0.000 0.771 441 G HN 0.699 nan 8.290 nan 0.000 0.545 442 A N 0.906 123.843 122.820 0.194 0.000 1.883 442 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 442 A C 2.406 180.172 177.584 0.303 0.000 1.186 442 A CA 1.474 53.652 52.037 0.235 0.000 0.624 442 A CB -0.418 18.678 19.000 0.161 0.000 0.822 442 A HN 0.383 nan 8.150 nan 0.000 0.444 443 I N -2.165 118.548 120.570 0.239 0.000 2.226 443 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 443 I C 2.337 178.593 176.117 0.233 0.000 1.100 443 I CA 1.566 62.990 61.300 0.207 0.000 1.374 443 I CB -0.327 37.776 38.000 0.171 0.000 1.057 443 I HN 0.430 nan 8.210 nan 0.000 0.413 444 F N 1.005 121.056 119.950 0.168 0.000 2.102 444 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 444 F C 2.319 178.229 175.800 0.183 0.000 1.105 444 F CA 1.659 59.758 58.000 0.165 0.000 1.239 444 F CB -0.438 38.647 39.000 0.143 0.000 0.991 444 F HN 0.011 nan 8.300 nan 0.000 0.474 445 F N 0.866 120.981 119.950 0.275 0.000 2.126 445 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 445 F C 2.263 178.085 175.800 0.036 0.000 1.096 445 F CA 1.517 59.608 58.000 0.151 0.000 1.255 445 F CB -0.985 38.106 39.000 0.152 0.000 0.997 445 F HN 0.001 nan 8.300 nan 0.000 0.479 446 A N 0.448 123.283 122.820 0.024 0.000 1.908 446 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 446 A C 2.543 179.991 177.584 -0.228 0.000 1.181 446 A CA 1.823 53.792 52.037 -0.113 0.000 0.627 446 A CB -1.865 17.159 19.000 0.040 0.000 0.818 446 A HN 0.528 nan 8.150 nan 0.000 0.445 447 G N -0.971 107.709 108.800 -0.200 0.000 2.440 447 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 447 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 447 G C 1.508 175.976 174.900 -0.720 0.000 1.154 447 G CA 1.354 46.248 45.100 -0.342 0.000 0.767 447 G HN 0.335 nan 8.290 nan 0.000 0.552 448 M N 0.271 119.566 119.600 -0.508 0.000 2.108 448 M HA 0.025 4.505 4.480 -0.000 0.000 0.261 448 M C 2.686 178.746 176.300 -0.400 0.000 1.066 448 M CA 1.019 56.067 55.300 -0.420 0.000 1.107 448 M CB -1.123 31.314 32.600 -0.272 0.000 1.356 448 M HN 0.228 nan 8.290 nan 0.000 0.406 449 L N -0.970 119.970 121.223 -0.471 0.000 2.046 449 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 449 L C 2.466 179.229 176.870 -0.177 0.000 1.077 449 L CA 0.826 55.466 54.840 -0.334 0.000 0.747 449 L CB -1.009 40.832 42.059 -0.364 0.000 0.896 449 L HN 0.058 nan 8.230 nan 0.000 0.432 450 V N -0.386 119.408 119.914 -0.200 0.000 2.392 450 V HA -0.365 3.755 4.120 -0.000 0.000 0.249 450 V C 2.448 178.547 176.094 0.009 0.000 1.059 450 V CA 2.127 64.389 62.300 -0.063 0.000 1.051 450 V CB -0.485 31.295 31.823 -0.071 0.000 0.658 450 V HN 0.466 nan 8.190 nan 0.000 0.455 451 M N -0.012 119.484 119.600 -0.175 0.000 2.086 451 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 451 M C 2.261 178.558 176.300 -0.005 0.000 1.067 451 M CA 2.230 57.508 55.300 -0.037 0.000 1.116 451 M CB -0.318 32.169 32.600 -0.187 0.000 1.348 451 M HN 0.358 nan 8.290 nan 0.000 0.407 452 A N -0.370 122.419 122.820 -0.051 0.000 1.892 452 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 452 A C 1.986 179.618 177.584 0.080 0.000 1.188 452 A CA 2.006 54.033 52.037 -0.017 0.000 0.631 452 A CB -1.492 17.467 19.000 -0.068 0.000 0.822 452 A HN 0.759 nan 8.150 nan 0.000 0.447 453 Y N 0.669 120.974 120.300 0.008 0.000 2.145 453 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 453 Y C 2.333 178.330 175.900 0.161 0.000 1.145 453 Y CA 2.161 60.322 58.100 0.101 0.000 1.148 453 Y CB -0.448 38.048 38.460 0.060 0.000 0.981 453 Y HN 0.506 nan 8.280 nan 0.000 0.507 454 N N -1.113 117.651 118.700 0.108 0.000 2.025 454 N HA -0.220 4.520 4.740 -0.000 0.000 0.194 454 N C 1.614 177.114 175.510 -0.017 0.000 1.044 454 N CA 2.189 55.285 53.050 0.076 0.000 0.851 454 N CB -0.198 38.446 38.487 0.261 0.000 1.036 454 N HN 0.363 nan 8.380 nan 0.000 0.422 455 T N -0.215 114.345 114.554 0.010 0.000 2.635 455 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 455 T C 1.212 175.822 174.700 -0.151 0.000 1.040 455 T CA 1.609 63.662 62.100 -0.080 0.000 1.156 455 T CB -0.671 68.147 68.868 -0.083 0.000 0.863 455 T HN 0.505 nan 8.240 nan 0.000 0.430 456 W N 2.670 123.806 121.300 -0.273 0.000 2.335 456 W HA -0.141 4.519 4.660 -0.000 0.000 0.311 456 W C 2.300 178.600 176.519 -0.364 0.000 1.213 456 W CA 0.965 58.134 57.345 -0.294 0.000 1.274 456 W CB -0.227 29.094 29.460 -0.232 0.000 1.148 456 W HN -0.055 nan 8.180 nan 0.000 0.498 457 R N -0.345 119.807 120.500 -0.579 0.000 2.105 457 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 457 R C 2.330 178.208 176.300 -0.703 0.000 1.135 457 R CA 2.086 57.635 56.100 -0.918 0.000 0.967 457 R CB -1.928 27.656 30.300 -1.194 0.000 0.861 457 R HN 0.451 nan 8.270 nan 0.000 0.442 458 T N -1.073 113.219 114.554 -0.437 0.000 2.951 458 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 458 T C 1.979 176.445 174.700 -0.389 0.000 1.073 458 T CA 0.921 62.846 62.100 -0.292 0.000 1.134 458 T CB -0.105 68.672 68.868 -0.153 0.000 0.884 458 T HN -0.037 nan 8.240 nan 0.000 0.479 459 V N 1.508 121.097 119.914 -0.541 0.000 2.548 459 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 459 V C 2.846 178.713 176.094 -0.379 0.000 1.055 459 V CA 1.731 63.668 62.300 -0.605 0.000 1.065 459 V CB -0.717 30.709 31.823 -0.662 0.000 0.681 459 V HN 0.568 nan 8.190 nan 0.000 0.462 460 Q N -0.042 119.456 119.800 -0.504 0.000 2.061 460 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 460 Q C 2.258 178.116 176.000 -0.237 0.000 0.984 460 Q CA 1.671 57.230 55.803 -0.406 0.000 0.846 460 Q CB -0.539 27.852 28.738 -0.578 0.000 0.902 460 Q HN 0.637 nan 8.270 nan 0.000 0.421 461 A N 1.340 124.020 122.820 -0.232 0.000 2.557 461 A HA -0.290 4.030 4.320 -0.000 0.000 0.260 461 A C 0.974 178.518 177.584 -0.067 0.000 2.292 461 A CA 2.134 54.095 52.037 -0.126 0.000 1.035 461 A CB -1.445 17.497 19.000 -0.096 0.000 0.477 461 A HN 0.554 nan 8.150 nan 0.000 0.426 462 A N -2.713 120.099 122.820 -0.015 0.000 2.322 462 A HA 0.702 5.022 4.320 -0.000 0.000 0.327 462 A C 0.685 178.297 177.584 0.048 0.000 1.134 462 A CA 0.054 52.101 52.037 0.016 0.000 0.831 462 A CB 1.239 20.258 19.000 0.032 0.000 1.288 462 A HN 0.500 nan 8.150 nan 0.000 0.472 463 K N -0.377 120.048 120.400 0.041 0.000 2.424 463 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 463 K C -1.663 174.967 176.600 0.050 0.000 1.190 463 K CA 0.276 56.593 56.287 0.049 0.000 0.935 463 K CB -0.335 32.183 32.500 0.029 0.000 1.087 463 K HN 0.514 nan 8.250 nan 0.000 0.524 464 P HA 0.294 nan 4.420 nan 0.000 0.219 464 P C -0.127 177.210 177.300 0.062 0.000 1.832 464 P CA -0.052 63.075 63.100 0.044 0.000 1.014 464 P CB 0.583 32.304 31.700 0.036 0.000 1.939 465 A N 1.528 124.391 122.820 0.072 0.000 3.002 465 A HA -0.140 4.180 4.320 -0.000 0.000 0.169 465 A C 0.738 178.394 177.584 0.121 0.000 0.967 465 A CA 0.534 52.632 52.037 0.101 0.000 1.052 465 A CB -0.924 18.123 19.000 0.079 0.000 0.833 465 A HN 0.466 nan 8.150 nan 0.000 0.565 466 E N -1.965 118.305 120.200 0.116 0.000 2.359 466 E HA -0.234 4.116 4.350 -0.000 0.000 0.157 466 E C -1.193 175.483 176.600 0.127 0.000 1.718 466 E CA 1.048 57.504 56.400 0.094 0.000 0.620 466 E CB -1.312 28.403 29.700 0.025 0.000 1.057 466 E HN 0.564 nan 8.360 nan 0.000 0.322 467 Y N 2.216 122.543 120.300 0.045 0.000 2.749 467 Y HA 0.336 4.886 4.550 -0.000 0.000 0.343 467 Y C -0.722 175.191 175.900 0.022 0.000 1.015 467 Y CA -0.627 57.490 58.100 0.029 0.000 1.270 467 Y CB 0.850 39.348 38.460 0.062 0.000 1.097 467 Y HN 0.128 nan 8.280 nan 0.000 0.571 468 D N 3.682 123.901 120.400 -0.301 0.000 2.192 468 D HA 0.339 4.979 4.640 -0.000 0.000 0.200 468 D C -0.796 175.282 176.300 -0.371 0.000 1.281 468 D CA 0.294 54.126 54.000 -0.279 0.000 0.895 468 D CB 0.994 41.650 40.800 -0.239 0.000 1.643 468 D HN 0.590 nan 8.370 nan 0.000 0.510 469 A N 2.110 124.706 122.820 -0.373 0.000 2.940 469 A HA 0.836 5.156 4.320 -0.000 0.000 0.210 469 A C 1.121 178.415 177.584 -0.482 0.000 2.267 469 A CA 0.863 52.654 52.037 -0.411 0.000 1.544 469 A CB -0.931 17.877 19.000 -0.319 0.000 1.180 469 A HN 0.593 nan 8.150 nan 0.000 0.403 470 A N 0.000 122.632 122.820 -0.313 0.000 2.254 470 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 470 A CA 0.000 51.887 52.037 -0.250 0.000 0.836 470 A CB 0.000 18.916 19.000 -0.140 0.000 0.831 470 A HN 0.000 nan 8.150 nan 0.000 0.486