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 1sa0_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFSVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYEPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGV 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.247 176.300 -0.089 0.000 0.893 2 R CA 0.000 56.066 56.100 -0.056 0.000 0.921 2 R CB 0.000 30.266 30.300 -0.057 0.000 0.687 3 E N -0.163 119.959 120.200 -0.130 0.000 2.790 3 E HA 0.466 4.816 4.350 -0.000 0.000 0.256 3 E C -0.791 175.644 176.600 -0.275 0.000 1.246 3 E CA -0.222 56.069 56.400 -0.182 0.000 1.041 3 E CB 1.212 30.810 29.700 -0.169 0.000 1.272 3 E HN 0.296 nan 8.360 nan 0.000 0.603 4 C N 0.986 120.065 119.300 -0.369 0.000 3.102 4 C HA 0.286 4.746 4.460 -0.000 0.000 0.386 4 C C -1.318 173.378 174.990 -0.491 0.000 1.065 4 C CA -0.504 58.206 59.018 -0.514 0.000 1.299 4 C CB -0.898 26.362 27.740 -0.799 0.000 1.660 4 C HN 0.535 nan 8.230 nan 0.000 0.517 5 I N 3.512 123.891 120.570 -0.318 0.000 2.441 5 I HA 0.310 4.480 4.170 -0.000 0.000 0.287 5 I C 0.737 176.943 176.117 0.149 0.000 1.049 5 I CA 0.829 62.098 61.300 -0.053 0.000 1.381 5 I CB 1.393 39.447 38.000 0.090 0.000 1.409 5 I HN 0.522 nan 8.210 nan 0.000 0.523 6 S N 6.670 122.549 115.700 0.299 0.000 2.489 6 S HA 0.645 5.115 4.470 -0.000 0.000 0.291 6 S C -0.320 174.524 174.600 0.407 0.000 1.151 6 S CA -0.484 58.001 58.200 0.475 0.000 1.082 6 S CB 0.786 64.523 63.200 0.895 0.000 1.019 6 S HN 0.312 nan 8.310 nan 0.000 0.492 7 I N 3.220 123.940 120.570 0.249 0.000 2.498 7 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 7 I C -1.241 174.905 176.117 0.049 0.000 1.032 7 I CA -0.675 60.755 61.300 0.218 0.000 1.073 7 I CB 1.739 39.814 38.000 0.125 0.000 1.251 7 I HN 0.628 nan 8.210 nan 0.000 0.426 8 H N 4.607 123.845 119.070 0.281 0.000 2.708 8 H HA 0.452 5.008 4.556 -0.000 0.000 0.320 8 H C -0.716 174.638 175.328 0.044 0.000 0.991 8 H CA -0.529 55.572 56.048 0.088 0.000 1.243 8 H CB 2.009 31.520 29.762 -0.418 0.000 1.446 8 H HN 0.267 nan 8.280 nan 0.000 0.502 9 V N 3.396 123.432 119.914 0.203 0.000 2.417 9 V HA 0.801 4.921 4.120 -0.000 0.000 0.291 9 V C 0.302 176.477 176.094 0.134 0.000 1.024 9 V CA 0.390 62.795 62.300 0.175 0.000 0.861 9 V CB 0.686 32.673 31.823 0.274 0.000 0.985 9 V HN 1.094 nan 8.190 nan 0.000 0.436 10 G N 4.752 113.584 108.800 0.054 0.000 3.000 10 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 10 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 10 G C 0.213 175.111 174.900 -0.004 0.000 1.114 10 G CA 0.981 46.098 45.100 0.028 0.000 0.902 10 G HN 1.821 nan 8.290 nan 0.000 0.564 11 Q N 1.650 121.427 119.800 -0.039 0.000 2.440 11 Q HA -0.384 3.956 4.340 -0.000 0.000 0.228 11 Q C 2.853 178.778 176.000 -0.124 0.000 1.100 11 Q CA 4.748 60.501 55.803 -0.084 0.000 0.991 11 Q CB -0.849 27.838 28.738 -0.085 0.000 1.027 11 Q HN 2.216 nan 8.270 nan 0.000 0.528 12 A N -0.187 122.564 122.820 -0.114 0.000 1.859 12 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 12 A C 2.315 179.863 177.584 -0.061 0.000 1.198 12 A CA 2.538 54.499 52.037 -0.126 0.000 0.629 12 A CB -1.796 17.161 19.000 -0.071 0.000 0.830 12 A HN 0.789 nan 8.150 nan 0.000 0.446 13 G N -0.557 108.256 108.800 0.022 0.000 2.553 13 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 13 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 13 G C 1.557 176.422 174.900 -0.057 0.000 1.195 13 G CA 1.751 46.909 45.100 0.098 0.000 0.779 13 G HN 0.387 nan 8.290 nan 0.000 0.577 14 V N 0.450 120.251 119.914 -0.189 0.000 2.219 14 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 14 V C 2.832 178.688 176.094 -0.396 0.000 1.053 14 V CA 2.553 64.569 62.300 -0.473 0.000 1.009 14 V CB -0.895 30.744 31.823 -0.307 0.000 0.636 14 V HN 0.424 nan 8.190 nan 0.000 0.445 15 Q N -1.080 118.584 119.800 -0.226 0.000 2.181 15 Q HA -0.209 4.131 4.340 -0.000 0.000 0.205 15 Q C 2.099 178.001 176.000 -0.163 0.000 0.980 15 Q CA 1.846 57.548 55.803 -0.169 0.000 0.862 15 Q CB -0.263 28.375 28.738 -0.166 0.000 0.905 15 Q HN 0.621 nan 8.270 nan 0.000 0.429 16 I N -0.603 119.866 120.570 -0.169 0.000 2.202 16 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 16 I C 2.125 178.075 176.117 -0.279 0.000 1.091 16 I CA 1.524 62.727 61.300 -0.162 0.000 1.368 16 I CB -0.440 37.515 38.000 -0.075 0.000 1.058 16 I HN 0.261 nan 8.210 nan 0.000 0.410 17 G N -0.309 108.261 108.800 -0.383 0.000 2.422 17 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 17 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 17 G C 1.532 176.329 174.900 -0.171 0.000 1.140 17 G CA 0.721 45.509 45.100 -0.519 0.000 0.775 17 G HN 0.300 nan 8.290 nan 0.000 0.545 18 N N 1.202 119.824 118.700 -0.130 0.000 2.205 18 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 18 N C 2.232 177.758 175.510 0.028 0.000 1.015 18 N CA 1.399 54.493 53.050 0.073 0.000 0.862 18 N CB -0.235 38.274 38.487 0.037 0.000 0.986 18 N HN 0.286 nan 8.380 nan 0.000 0.429 19 A N -0.732 122.046 122.820 -0.070 0.000 2.095 19 A HA 0.027 4.347 4.320 -0.000 0.000 0.212 19 A C 2.305 179.781 177.584 -0.180 0.000 1.162 19 A CA 0.816 52.808 52.037 -0.076 0.000 0.753 19 A CB -0.420 18.540 19.000 -0.068 0.000 0.840 19 A HN 0.578 nan 8.150 nan 0.000 0.468 20 C N -4.483 114.614 119.300 -0.339 0.000 2.696 20 C HA 0.237 4.697 4.460 -0.000 0.000 0.264 20 C C 1.915 176.333 174.990 -0.953 0.000 1.288 20 C CA -0.704 57.933 59.018 -0.634 0.000 1.717 20 C CB -2.230 25.049 27.740 -0.769 0.000 1.893 20 C HN 0.694 nan 8.230 nan 0.000 0.577 21 W N 2.409 123.420 121.300 -0.482 0.000 2.658 21 W HA 0.083 4.742 4.660 -0.000 0.000 0.263 21 W C 2.602 179.004 176.519 -0.196 0.000 1.274 21 W CA 1.103 58.278 57.345 -0.283 0.000 1.343 21 W CB 0.065 29.495 29.460 -0.051 0.000 1.106 21 W HN 0.526 nan 8.180 nan 0.000 0.615 22 E N 0.173 120.328 120.200 -0.074 0.000 2.170 22 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 22 E C 1.926 178.534 176.600 0.014 0.000 0.981 22 E CA 0.844 57.182 56.400 -0.103 0.000 0.830 22 E CB -0.489 29.218 29.700 0.011 0.000 0.775 22 E HN 0.258 nan 8.360 nan 0.000 0.470 23 L N 0.028 121.216 121.223 -0.057 0.000 2.179 23 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 23 L C 1.962 178.900 176.870 0.115 0.000 1.096 23 L CA 1.118 55.953 54.840 -0.008 0.000 0.779 23 L CB -0.262 41.744 42.059 -0.087 0.000 0.922 23 L HN 0.224 nan 8.230 nan 0.000 0.443 24 Y N -1.860 118.440 120.300 -0.001 0.000 2.089 24 Y HA -0.365 4.185 4.550 -0.000 0.000 0.282 24 Y C 2.765 178.786 175.900 0.202 0.000 1.139 24 Y CA 0.989 59.139 58.100 0.082 0.000 1.123 24 Y CB -0.648 37.845 38.460 0.055 0.000 0.980 24 Y HN 0.236 nan 8.280 nan 0.000 0.493 25 C N -0.025 119.518 119.300 0.404 0.000 2.385 25 C HA -0.257 4.203 4.460 -0.000 0.000 0.275 25 C C 2.674 177.751 174.990 0.146 0.000 1.207 25 C CA 0.933 60.101 59.018 0.251 0.000 1.760 25 C CB -1.356 26.501 27.740 0.194 0.000 2.051 25 C HN 0.469 nan 8.230 nan 0.000 0.467 26 L N 0.386 121.689 121.223 0.133 0.000 2.083 26 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 26 L C 2.386 179.279 176.870 0.038 0.000 1.083 26 L CA 1.728 56.619 54.840 0.085 0.000 0.752 26 L CB -0.899 41.211 42.059 0.084 0.000 0.899 26 L HN 0.398 nan 8.230 nan 0.000 0.433 27 E N -1.486 118.732 120.200 0.031 0.000 2.077 27 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 27 E C 1.488 177.960 176.600 -0.214 0.000 0.989 27 E CA 1.009 57.367 56.400 -0.070 0.000 0.800 27 E CB 0.077 29.735 29.700 -0.069 0.000 0.746 27 E HN 0.561 nan 8.360 nan 0.000 0.452 28 H N -1.333 117.701 119.070 -0.059 0.000 2.549 28 H HA 0.206 4.761 4.556 -0.000 0.000 0.279 28 H C 0.442 175.586 175.328 -0.307 0.000 1.018 28 H CA 0.604 56.480 56.048 -0.287 0.000 1.175 28 H CB 0.752 30.179 29.762 -0.557 0.000 1.485 28 H HN 0.223 nan 8.280 nan 0.000 0.543 29 G N 2.023 110.787 108.800 -0.060 0.000 2.354 29 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.278 29 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.278 29 G C -0.260 174.613 174.900 -0.044 0.000 0.953 29 G CA 0.015 45.092 45.100 -0.039 0.000 1.346 29 G HN 0.368 nan 8.290 nan 0.000 0.467 30 I N 1.074 121.642 120.570 -0.003 0.000 2.420 30 I HA 0.209 4.379 4.170 -0.000 0.000 0.282 30 I C 0.625 176.806 176.117 0.106 0.000 1.019 30 I CA -0.586 60.732 61.300 0.031 0.000 1.130 30 I CB 1.390 39.368 38.000 -0.038 0.000 1.262 30 I HN 0.379 nan 8.210 nan 0.000 0.454 31 Q N 7.901 127.764 119.800 0.104 0.000 2.263 31 Q HA 0.044 4.384 4.340 -0.000 0.000 0.289 31 Q C -1.432 174.669 176.000 0.170 0.000 1.061 31 Q CA -1.224 54.653 55.803 0.123 0.000 0.927 31 Q CB 0.180 28.968 28.738 0.085 0.000 1.154 31 Q HN 0.350 nan 8.270 nan 0.000 0.378 32 P HA -0.417 nan 4.420 nan 0.000 0.214 32 P C 0.918 178.362 177.300 0.240 0.000 0.989 32 P CA 2.083 65.397 63.100 0.356 0.000 1.008 32 P CB -0.200 31.641 31.700 0.236 0.000 0.747 33 D N -0.874 119.613 120.400 0.144 0.000 2.472 33 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 33 D C 1.776 178.136 176.300 0.100 0.000 1.023 33 D CA 2.831 56.890 54.000 0.098 0.000 0.869 33 D CB -1.268 39.563 40.800 0.052 0.000 0.997 33 D HN 0.431 nan 8.370 nan 0.000 0.463 34 G N -0.989 107.865 108.800 0.091 0.000 2.938 34 G HA2 0.406 4.366 3.960 -0.000 0.000 0.144 34 G HA3 0.406 4.366 3.960 -0.000 0.000 0.144 34 G C 0.547 175.500 174.900 0.089 0.000 1.366 34 G CA 0.792 45.937 45.100 0.075 0.000 0.852 34 G HN 0.801 nan 8.290 nan 0.000 0.638 35 Q N 0.084 119.913 119.800 0.048 0.000 2.252 35 Q HA 0.851 5.191 4.340 -0.000 0.000 0.256 35 Q C -0.260 175.828 176.000 0.146 0.000 1.020 35 Q CA -0.554 55.302 55.803 0.089 0.000 0.913 35 Q CB 0.655 29.334 28.738 -0.097 0.000 1.286 35 Q HN 0.720 nan 8.270 nan 0.000 0.480 36 M N 0.681 120.413 119.600 0.221 0.000 2.300 36 M HA 0.716 5.196 4.480 -0.000 0.000 0.348 36 M C -2.160 174.199 176.300 0.099 0.000 1.151 36 M CA -1.621 53.753 55.300 0.123 0.000 1.046 36 M CB 0.808 33.454 32.600 0.076 0.000 1.647 36 M HN 0.499 nan 8.290 nan 0.000 0.451 48 S N -1.043 114.632 115.700 -0.042 0.000 4.130 48 S HA -0.280 4.190 4.470 -0.000 0.000 0.326 48 S C 1.149 175.780 174.600 0.052 0.000 1.851 48 S CA 2.868 61.125 58.200 0.094 0.000 4.216 48 S CB -2.027 61.355 63.200 0.303 0.000 0.301 48 S HN 1.621 nan 8.310 nan 0.000 0.455 49 F N 1.648 121.497 119.950 -0.169 0.000 2.660 49 F HA 0.543 5.070 4.527 -0.000 0.000 0.302 49 F C 1.160 176.901 175.800 -0.099 0.000 1.103 49 F CA 0.103 57.904 58.000 -0.331 0.000 1.340 49 F CB -0.550 37.964 39.000 -0.810 0.000 1.048 49 F HN 0.201 nan 8.300 nan 0.000 0.551 50 N N 1.066 119.540 118.700 -0.377 0.000 2.459 50 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 50 N C 2.152 177.633 175.510 -0.048 0.000 1.046 50 N CA 1.124 54.035 53.050 -0.231 0.000 0.904 50 N CB -0.100 38.239 38.487 -0.247 0.000 0.964 50 N HN 0.600 nan 8.380 nan 0.000 0.444 51 T N -0.536 114.020 114.554 0.003 0.000 2.685 51 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 51 T C 1.381 176.074 174.700 -0.013 0.000 1.034 51 T CA 1.472 63.596 62.100 0.040 0.000 1.149 51 T CB -0.443 68.532 68.868 0.178 0.000 0.860 51 T HN 0.119 nan 8.240 nan 0.000 0.449 52 F N -1.470 118.454 119.950 -0.043 0.000 2.717 52 F HA 0.436 4.962 4.527 -0.000 0.000 0.297 52 F C -0.167 175.554 175.800 -0.131 0.000 1.113 52 F CA -0.926 57.030 58.000 -0.074 0.000 1.319 52 F CB 0.750 39.612 39.000 -0.230 0.000 1.097 52 F HN 0.080 nan 8.300 nan 0.000 0.595 53 F N -0.632 119.399 119.950 0.134 0.000 2.579 53 F HA 0.481 5.008 4.527 -0.000 0.000 0.324 53 F C 0.195 175.988 175.800 -0.011 0.000 1.058 53 F CA -1.481 56.568 58.000 0.081 0.000 0.944 53 F CB 1.508 40.575 39.000 0.112 0.000 1.245 53 F HN -0.380 nan 8.300 nan 0.000 0.477 54 S N -0.448 115.358 115.700 0.178 0.000 2.566 54 S HA 0.522 4.992 4.470 -0.000 0.000 0.324 54 S C -0.245 174.433 174.600 0.129 0.000 1.081 54 S CA -0.755 57.497 58.200 0.086 0.000 1.105 54 S CB 0.858 64.070 63.200 0.021 0.000 0.981 54 S HN 0.773 nan 8.310 nan 0.000 0.464 55 E N 2.029 122.301 120.200 0.120 0.000 2.030 55 E HA 0.397 4.747 4.350 -0.000 0.000 0.267 55 E C 0.541 177.174 176.600 0.055 0.000 1.172 55 E CA 0.437 56.921 56.400 0.140 0.000 1.080 55 E CB -1.627 28.143 29.700 0.116 0.000 1.080 55 E HN 1.034 nan 8.360 nan 0.000 0.446 56 T N 0.458 115.047 114.554 0.058 0.000 2.909 56 T HA 0.663 5.013 4.350 -0.000 0.000 0.289 56 T C 1.178 175.883 174.700 0.009 0.000 1.005 56 T CA 0.452 62.579 62.100 0.045 0.000 1.084 56 T CB 0.581 69.508 68.868 0.099 0.000 0.975 56 T HN 1.787 nan 8.240 nan 0.000 0.509 57 G N 0.331 109.139 108.800 0.014 0.000 2.804 57 G HA2 0.326 4.286 3.960 -0.000 0.000 0.230 57 G HA3 0.326 4.286 3.960 -0.000 0.000 0.230 57 G C 0.552 175.436 174.900 -0.026 0.000 1.386 57 G CA -0.021 45.076 45.100 -0.004 0.000 0.875 57 G HN 2.001 nan 8.290 nan 0.000 0.557 58 A N 0.113 122.915 122.820 -0.029 0.000 3.012 58 A HA 0.745 5.065 4.320 -0.000 0.000 0.295 58 A C 1.356 178.907 177.584 -0.055 0.000 1.338 58 A CA 1.116 53.132 52.037 -0.035 0.000 0.981 58 A CB -0.699 18.290 19.000 -0.019 0.000 1.091 58 A HN 2.407 nan 8.150 nan 0.000 0.602 59 G N -0.690 108.055 108.800 -0.092 0.000 3.686 59 G HA2 0.161 4.121 3.960 -0.000 0.000 0.132 59 G HA3 0.161 4.121 3.960 -0.000 0.000 0.132 59 G C 0.311 175.077 174.900 -0.224 0.000 1.319 59 G CA -0.192 44.837 45.100 -0.119 0.000 1.060 59 G HN 0.348 nan 8.290 nan 0.000 0.487 60 K N 0.069 120.377 120.400 -0.153 0.000 2.552 60 K HA 0.064 4.384 4.320 -0.000 0.000 0.276 60 K C 0.595 177.067 176.600 -0.213 0.000 0.960 60 K CA 0.329 56.539 56.287 -0.128 0.000 0.961 60 K CB 0.198 32.674 32.500 -0.040 0.000 0.902 60 K HN 0.422 nan 8.250 nan 0.000 0.515 61 H N 0.291 119.403 119.070 0.069 0.000 3.017 61 H HA 0.014 4.570 4.556 -0.000 0.000 0.255 61 H C -0.276 175.181 175.328 0.215 0.000 0.990 61 H CA 0.518 56.622 56.048 0.093 0.000 1.205 61 H CB 0.258 30.029 29.762 0.015 0.000 1.460 61 H HN 0.443 nan 8.280 nan 0.000 0.478 62 V N 2.817 122.900 119.914 0.281 0.000 3.871 62 V HA -0.193 3.927 4.120 -0.000 0.000 0.474 62 V C -2.847 173.298 176.094 0.085 0.000 1.340 62 V CA -0.696 61.696 62.300 0.153 0.000 2.026 62 V CB 0.206 32.065 31.823 0.060 0.000 2.097 62 V HN 0.077 nan 8.190 nan 0.000 0.501 63 P HA 0.328 nan 4.420 nan 0.000 0.272 63 P C -0.417 176.512 177.300 -0.619 0.000 1.240 63 P CA -0.225 62.310 63.100 -0.942 0.000 0.791 63 P CB 0.354 30.838 31.700 -2.027 0.000 0.978 64 R N 0.975 121.222 120.500 -0.422 0.000 3.785 64 R HA 0.610 4.950 4.340 -0.000 0.000 0.255 64 R C -0.410 175.825 176.300 -0.108 0.000 1.485 64 R CA -0.183 55.799 56.100 -0.197 0.000 1.555 64 R CB 0.083 30.311 30.300 -0.120 0.000 1.362 64 R HN 0.486 nan 8.270 nan 0.000 0.702 65 A N 0.603 123.267 122.820 -0.260 0.000 2.479 65 A HA 0.720 5.040 4.320 -0.000 0.000 0.296 65 A C -0.869 176.737 177.584 0.037 0.000 1.121 65 A CA -0.710 51.314 52.037 -0.022 0.000 0.743 65 A CB 2.087 20.968 19.000 -0.198 0.000 1.323 65 A HN 0.219 nan 8.150 nan 0.000 0.415 66 V N -0.884 119.219 119.914 0.316 0.000 2.686 66 V HA 0.868 4.988 4.120 -0.000 0.000 0.306 66 V C -2.027 174.463 176.094 0.661 0.000 1.065 66 V CA -0.726 61.768 62.300 0.323 0.000 0.894 66 V CB 1.410 33.359 31.823 0.211 0.000 1.004 66 V HN 0.696 nan 8.190 nan 0.000 0.424 67 F N 4.928 124.987 119.950 0.181 0.000 2.482 67 F HA 0.865 5.392 4.527 -0.000 0.000 0.331 67 F C 0.077 175.931 175.800 0.089 0.000 1.115 67 F CA -1.141 56.957 58.000 0.163 0.000 0.955 67 F CB 2.231 41.286 39.000 0.092 0.000 1.136 67 F HN 0.641 nan 8.300 nan 0.000 0.452 68 V N 0.810 120.841 119.914 0.195 0.000 2.686 68 V HA 0.728 4.848 4.120 -0.000 0.000 0.306 68 V C -1.245 174.823 176.094 -0.044 0.000 1.065 68 V CA -0.619 61.703 62.300 0.037 0.000 0.894 68 V CB 1.980 33.775 31.823 -0.047 0.000 1.004 68 V HN 0.614 nan 8.190 nan 0.000 0.424 69 D N 2.235 122.583 120.400 -0.085 0.000 2.596 69 D HA 0.602 5.242 4.640 -0.000 0.000 0.234 69 D C -0.060 176.160 176.300 -0.134 0.000 1.181 69 D CA -0.599 53.343 54.000 -0.097 0.000 0.856 69 D CB 2.482 43.254 40.800 -0.046 0.000 1.498 69 D HN 0.307 nan 8.370 nan 0.000 0.446 70 L N 1.068 122.217 121.223 -0.123 0.000 2.591 70 L HA 0.245 4.585 4.340 -0.000 0.000 0.228 70 L C 0.816 177.648 176.870 -0.064 0.000 1.133 70 L CA 0.568 55.340 54.840 -0.114 0.000 0.880 70 L CB -0.667 41.324 42.059 -0.113 0.000 1.033 70 L HN 0.489 nan 8.230 nan 0.000 0.450 71 E N -1.944 118.227 120.200 -0.049 0.000 2.336 71 E HA 0.366 4.716 4.350 -0.000 0.000 0.267 71 E C -2.569 174.014 176.600 -0.028 0.000 0.906 71 E CA -1.857 54.524 56.400 -0.031 0.000 0.781 71 E CB 2.312 31.998 29.700 -0.023 0.000 1.261 71 E HN -0.228 nan 8.360 nan 0.000 0.436 72 P HA -0.121 nan 4.420 nan 0.000 0.203 72 P C 0.611 177.903 177.300 -0.014 0.000 1.202 72 P CA 2.226 65.317 63.100 -0.015 0.000 0.917 72 P CB -0.134 31.558 31.700 -0.012 0.000 0.750 73 T N -0.789 113.758 114.554 -0.012 0.000 11.002 73 T HA -0.326 4.024 4.350 -0.000 0.000 0.378 73 T C 1.591 176.284 174.700 -0.012 0.000 1.487 73 T CA 2.957 65.051 62.100 -0.011 0.000 2.214 73 T CB -2.445 66.417 68.868 -0.010 0.000 2.641 73 T HN -0.040 nan 8.240 nan 0.000 0.842 74 V N 2.270 122.175 119.914 -0.016 0.000 2.255 74 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 74 V C 2.631 178.720 176.094 -0.008 0.000 1.051 74 V CA 2.245 64.533 62.300 -0.020 0.000 1.018 74 V CB -0.970 30.831 31.823 -0.037 0.000 0.641 74 V HN 0.535 nan 8.190 nan 0.000 0.445 75 I N 0.687 121.261 120.570 0.005 0.000 2.361 75 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 75 I C 2.281 178.393 176.117 -0.009 0.000 1.133 75 I CA 1.818 63.134 61.300 0.026 0.000 1.413 75 I CB -1.301 36.724 38.000 0.040 0.000 1.073 75 I HN 0.339 nan 8.210 nan 0.000 0.424 76 D N 1.437 121.829 120.400 -0.014 0.000 2.144 76 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 76 D C 2.355 178.637 176.300 -0.029 0.000 0.984 76 D CA 1.696 55.682 54.000 -0.022 0.000 0.834 76 D CB -0.054 40.736 40.800 -0.017 0.000 0.955 76 D HN 0.513 nan 8.370 nan 0.000 0.465 77 E N 0.178 120.364 120.200 -0.024 0.000 2.268 77 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 77 E C 2.169 178.746 176.600 -0.038 0.000 0.995 77 E CA 0.799 57.184 56.400 -0.025 0.000 0.836 77 E CB -0.704 28.987 29.700 -0.015 0.000 0.763 77 E HN 0.190 nan 8.360 nan 0.000 0.491 78 V N 1.141 121.024 119.914 -0.052 0.000 2.407 78 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 78 V C 2.274 178.282 176.094 -0.144 0.000 1.041 78 V CA 1.567 63.804 62.300 -0.105 0.000 1.040 78 V CB -0.451 31.286 31.823 -0.143 0.000 0.671 78 V HN 0.536 nan 8.190 nan 0.000 0.455 79 R N -0.190 120.240 120.500 -0.117 0.000 2.328 79 R HA 0.061 4.401 4.340 -0.000 0.000 0.206 79 R C 1.548 177.807 176.300 -0.070 0.000 0.990 79 R CA 0.789 56.828 56.100 -0.101 0.000 1.085 79 R CB -0.347 29.908 30.300 -0.075 0.000 0.998 79 R HN 0.427 nan 8.270 nan 0.000 0.484 80 T N -0.162 114.353 114.554 -0.064 0.000 3.286 80 T HA 0.129 4.479 4.350 -0.000 0.000 0.237 80 T C 1.019 175.683 174.700 -0.061 0.000 0.969 80 T CA 0.519 62.588 62.100 -0.052 0.000 1.298 80 T CB 0.060 68.904 68.868 -0.040 0.000 1.053 80 T HN 0.405 nan 8.240 nan 0.000 0.402 81 G N 2.644 111.405 108.800 -0.065 0.000 2.554 81 G HA2 0.356 4.316 3.960 -0.000 0.000 0.238 81 G HA3 0.356 4.316 3.960 -0.000 0.000 0.238 81 G C 0.044 174.866 174.900 -0.130 0.000 1.259 81 G CA -0.314 44.732 45.100 -0.091 0.000 0.843 81 G HN 0.472 nan 8.290 nan 0.000 0.582 82 T N -0.794 113.635 114.554 -0.208 0.000 2.939 82 T HA 0.057 4.407 4.350 -0.000 0.000 0.312 82 T C 0.355 174.831 174.700 -0.374 0.000 1.064 82 T CA 0.923 62.854 62.100 -0.282 0.000 1.136 82 T CB 0.102 68.747 68.868 -0.371 0.000 1.035 82 T HN 0.907 nan 8.240 nan 0.000 0.538 83 Y N -1.782 118.515 120.300 -0.005 0.000 4.810 83 Y HA -0.251 4.299 4.550 -0.000 0.000 0.295 83 Y C 2.001 177.852 175.900 -0.083 0.000 0.813 83 Y CA 0.138 58.241 58.100 0.006 0.000 1.594 83 Y CB -1.290 37.165 38.460 -0.007 0.000 0.946 83 Y HN 0.661 nan 8.280 nan 0.000 0.457 84 R N 1.652 122.166 120.500 0.024 0.000 2.083 84 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 84 R C 1.615 177.914 176.300 -0.003 0.000 1.137 84 R CA 2.401 58.476 56.100 -0.042 0.000 0.951 84 R CB -0.090 30.183 30.300 -0.046 0.000 0.851 84 R HN 0.526 nan 8.270 nan 0.000 0.434 85 Q N 0.403 120.227 119.800 0.041 0.000 2.172 85 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 85 Q C 2.225 178.285 176.000 0.100 0.000 0.964 85 Q CA 0.758 56.587 55.803 0.044 0.000 0.855 85 Q CB -0.241 28.521 28.738 0.039 0.000 0.918 85 Q HN 0.289 nan 8.270 nan 0.000 0.444 86 L N 0.301 121.649 121.223 0.209 0.000 2.089 86 L HA -0.110 4.230 4.340 -0.000 0.000 0.213 86 L C 0.678 177.729 176.870 0.301 0.000 1.079 86 L CA 1.644 56.663 54.840 0.298 0.000 0.758 86 L CB -0.338 41.981 42.059 0.434 0.000 0.891 86 L HN -0.018 nan 8.230 nan 0.000 0.433 87 F N -2.220 117.663 119.950 -0.112 0.000 2.461 87 F HA 0.313 4.840 4.527 -0.000 0.000 0.337 87 F C 0.571 176.302 175.800 -0.116 0.000 1.079 87 F CA -1.102 56.802 58.000 -0.160 0.000 1.032 87 F CB 0.417 39.258 39.000 -0.265 0.000 1.327 87 F HN -0.219 nan 8.300 nan 0.000 0.491 88 H N 1.257 120.370 119.070 0.071 0.000 2.483 88 H HA 0.193 4.749 4.556 -0.000 0.000 0.338 88 H C -1.598 173.749 175.328 0.032 0.000 1.152 88 H CA -1.389 54.674 56.048 0.025 0.000 1.264 88 H CB 1.508 31.261 29.762 -0.015 0.000 1.510 88 H HN 0.120 nan 8.280 nan 0.000 0.530 89 P HA -0.164 nan 4.420 nan 0.000 0.221 89 P C 0.778 178.128 177.300 0.084 0.000 1.150 89 P CA 1.206 64.351 63.100 0.075 0.000 0.800 89 P CB 0.384 32.116 31.700 0.055 0.000 0.787 90 E N 1.150 121.418 120.200 0.115 0.000 2.285 90 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 90 E C 1.566 178.198 176.600 0.053 0.000 0.997 90 E CA 0.589 57.027 56.400 0.064 0.000 0.845 90 E CB -0.638 29.083 29.700 0.035 0.000 0.782 90 E HN 0.443 nan 8.360 nan 0.000 0.491 91 Q N 0.936 120.775 119.800 0.065 0.000 2.482 91 Q HA 0.143 4.483 4.340 -0.000 0.000 0.209 91 Q C 0.703 176.752 176.000 0.080 0.000 0.961 91 Q CA 0.323 56.156 55.803 0.050 0.000 0.945 91 Q CB -0.093 28.641 28.738 -0.006 0.000 1.012 91 Q HN 0.264 nan 8.270 nan 0.000 0.515 92 L N 2.064 123.328 121.223 0.068 0.000 2.321 92 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 92 L C -0.692 176.217 176.870 0.065 0.000 1.050 92 L CA -0.655 54.227 54.840 0.070 0.000 0.893 92 L CB 0.557 42.616 42.059 0.001 0.000 1.272 92 L HN 0.089 nan 8.230 nan 0.000 0.435 93 I N 2.033 122.653 120.570 0.083 0.000 2.385 93 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 93 I C 0.591 176.717 176.117 0.014 0.000 0.988 93 I CA 0.068 61.392 61.300 0.040 0.000 1.265 93 I CB 1.955 39.975 38.000 0.034 0.000 1.388 93 I HN 0.449 nan 8.210 nan 0.000 0.480 94 T N 2.062 116.610 114.554 -0.009 0.000 2.896 94 T HA 0.684 5.034 4.350 -0.000 0.000 0.297 94 T C 0.182 174.856 174.700 -0.043 0.000 1.108 94 T CA -0.500 61.584 62.100 -0.026 0.000 1.004 94 T CB 1.820 70.682 68.868 -0.010 0.000 1.159 94 T HN 0.706 nan 8.240 nan 0.000 0.499 95 G N 1.298 110.064 108.800 -0.056 0.000 3.839 95 G HA2 0.304 4.264 3.960 -0.000 0.000 0.286 95 G HA3 0.304 4.264 3.960 -0.000 0.000 0.286 95 G C 0.642 175.520 174.900 -0.037 0.000 1.005 95 G CA 0.507 45.573 45.100 -0.056 0.000 0.824 95 G HN 1.107 nan 8.290 nan 0.000 0.489 96 K N -0.751 119.634 120.400 -0.026 0.000 9.127 96 K HA -0.325 3.995 4.320 -0.000 0.000 0.501 96 K C 0.339 176.930 176.600 -0.014 0.000 0.371 96 K CA 2.148 58.425 56.287 -0.016 0.000 1.951 96 K CB -1.003 31.491 32.500 -0.010 0.000 0.721 96 K HN 0.401 nan 8.250 nan 0.000 1.023 97 E N 2.171 122.362 120.200 -0.015 0.000 2.175 97 E HA 0.236 4.586 4.350 -0.000 0.000 0.278 97 E C -0.844 175.746 176.600 -0.016 0.000 0.969 97 E CA -0.538 55.856 56.400 -0.009 0.000 0.796 97 E CB 1.404 31.104 29.700 -0.000 0.000 1.104 97 E HN 0.280 nan 8.360 nan 0.000 0.395 98 D N 2.584 122.977 120.400 -0.012 0.000 2.357 98 D HA 0.119 4.759 4.640 -0.000 0.000 0.242 98 D C 0.401 176.694 176.300 -0.011 0.000 1.153 98 D CA 0.375 54.365 54.000 -0.016 0.000 0.918 98 D CB 1.424 42.214 40.800 -0.016 0.000 1.181 98 D HN 0.560 nan 8.370 nan 0.000 0.435 99 A N 2.142 124.955 122.820 -0.011 0.000 2.119 99 A HA 0.227 4.547 4.320 -0.000 0.000 0.217 99 A C 1.601 179.184 177.584 -0.002 0.000 1.153 99 A CA 1.799 53.839 52.037 0.004 0.000 0.692 99 A CB -0.423 18.588 19.000 0.017 0.000 0.799 99 A HN 1.083 nan 8.150 nan 0.000 0.458 100 A N -1.902 120.904 122.820 -0.023 0.000 3.930 100 A HA -0.313 4.007 4.320 -0.000 0.000 0.267 100 A C 1.006 178.536 177.584 -0.089 0.000 0.971 100 A CA 1.579 53.580 52.037 -0.061 0.000 1.197 100 A CB -1.867 17.095 19.000 -0.064 0.000 1.073 100 A HN 1.223 nan 8.150 nan 0.000 0.871 101 N N -1.831 116.844 118.700 -0.042 0.000 3.049 101 N HA -0.154 4.586 4.740 -0.000 0.000 0.226 101 N C -0.702 174.800 175.510 -0.013 0.000 0.952 101 N CA 1.289 54.319 53.050 -0.032 0.000 0.986 101 N CB -1.454 36.982 38.487 -0.085 0.000 1.073 101 N HN 1.541 nan 8.380 nan 0.000 0.553 102 N N -0.047 118.646 118.700 -0.012 0.000 2.519 102 N HA 0.071 4.811 4.740 -0.000 0.000 0.286 102 N C 0.782 176.413 175.510 0.202 0.000 1.079 102 N CA -0.485 52.567 53.050 0.003 0.000 0.878 102 N CB 0.386 38.589 38.487 -0.472 0.000 1.375 102 N HN 0.105 nan 8.380 nan 0.000 0.514 103 Y N 3.905 124.376 120.300 0.285 0.000 2.100 103 Y HA -0.450 4.100 4.550 -0.000 0.000 0.267 103 Y C 2.166 178.252 175.900 0.311 0.000 1.250 103 Y CA 3.548 61.821 58.100 0.289 0.000 1.105 103 Y CB -0.490 38.144 38.460 0.291 0.000 0.924 103 Y HN 0.719 nan 8.280 nan 0.000 0.508 104 A N -0.264 122.938 122.820 0.637 0.000 1.997 104 A HA -0.306 4.014 4.320 -0.000 0.000 0.221 104 A C 2.240 180.060 177.584 0.392 0.000 1.172 104 A CA 2.233 54.646 52.037 0.627 0.000 0.645 104 A CB -0.836 18.537 19.000 0.621 0.000 0.813 104 A HN 0.651 nan 8.150 nan 0.000 0.454 105 R N -1.238 119.384 120.500 0.203 0.000 2.057 105 R HA 0.048 4.388 4.340 -0.000 0.000 0.224 105 R C 2.403 178.761 176.300 0.096 0.000 1.136 105 R CA 1.256 57.441 56.100 0.141 0.000 0.968 105 R CB -0.723 29.625 30.300 0.080 0.000 0.863 105 R HN 0.421 nan 8.270 nan 0.000 0.433 106 G N -0.883 107.951 108.800 0.057 0.000 2.440 106 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 106 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 106 G C 1.254 176.133 174.900 -0.034 0.000 1.154 106 G CA 1.399 46.526 45.100 0.044 0.000 0.767 106 G HN 0.443 nan 8.290 nan 0.000 0.552 107 H N -1.385 117.448 119.070 -0.394 0.000 2.470 107 H HA 0.186 4.742 4.556 -0.000 0.000 0.289 107 H C 1.586 176.562 175.328 -0.588 0.000 1.033 107 H CA 1.144 56.783 56.048 -0.682 0.000 1.331 107 H CB 0.182 29.128 29.762 -1.360 0.000 1.414 107 H HN 0.499 nan 8.280 nan 0.000 0.545 108 Y N -1.915 118.345 120.300 -0.067 0.000 3.052 108 Y HA 0.107 4.657 4.550 -0.000 0.000 0.176 108 Y C 2.628 178.523 175.900 -0.008 0.000 0.916 108 Y CA 0.319 58.390 58.100 -0.049 0.000 1.720 108 Y CB -0.354 38.139 38.460 0.054 0.000 1.299 108 Y HN -0.074 nan 8.280 nan 0.000 0.428 109 T N 1.407 116.108 114.554 0.244 0.000 2.505 109 T HA -0.283 4.067 4.350 -0.000 0.000 0.259 109 T C 1.727 176.482 174.700 0.092 0.000 1.158 109 T CA 2.362 64.547 62.100 0.140 0.000 1.190 109 T CB -0.665 68.282 68.868 0.132 0.000 0.864 109 T HN 0.184 nan 8.240 nan 0.000 0.413 110 I N 1.000 121.619 120.570 0.081 0.000 2.928 110 I HA 0.122 4.292 4.170 -0.000 0.000 0.266 110 I C 2.231 178.382 176.117 0.056 0.000 1.234 110 I CA 0.548 61.880 61.300 0.053 0.000 1.483 110 I CB -0.592 37.430 38.000 0.036 0.000 1.097 110 I HN 0.323 nan 8.210 nan 0.000 0.455 111 G N -0.400 108.451 108.800 0.085 0.000 2.496 111 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 111 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 111 G C 1.681 176.663 174.900 0.137 0.000 1.234 111 G CA 0.476 45.680 45.100 0.173 0.000 0.807 111 G HN 0.203 nan 8.290 nan 0.000 0.543 112 K N -0.049 120.378 120.400 0.046 0.000 2.159 112 K HA -0.278 4.042 4.320 -0.000 0.000 0.217 112 K C 2.311 178.940 176.600 0.048 0.000 1.048 112 K CA 2.052 58.354 56.287 0.025 0.000 0.941 112 K CB -0.127 32.388 32.500 0.025 0.000 0.738 112 K HN 0.195 nan 8.250 nan 0.000 0.469 113 E N -0.074 120.157 120.200 0.051 0.000 2.153 113 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 113 E C 1.811 178.436 176.600 0.042 0.000 0.988 113 E CA 0.920 57.343 56.400 0.039 0.000 0.811 113 E CB -0.030 29.687 29.700 0.028 0.000 0.746 113 E HN 0.333 nan 8.360 nan 0.000 0.466 114 I N 0.079 120.687 120.570 0.064 0.000 4.070 114 I HA 0.012 4.182 4.170 -0.000 0.000 0.328 114 I C 1.716 177.928 176.117 0.158 0.000 1.298 114 I CA -0.040 61.294 61.300 0.056 0.000 1.173 114 I CB 0.317 38.281 38.000 -0.059 0.000 1.051 114 I HN 0.005 nan 8.210 nan 0.000 0.409 115 I N 0.841 121.555 120.570 0.239 0.000 2.208 115 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 115 I C 1.550 177.727 176.117 0.099 0.000 1.097 115 I CA 1.957 63.387 61.300 0.217 0.000 1.363 115 I CB -0.423 37.606 38.000 0.049 0.000 1.051 115 I HN 0.259 nan 8.210 nan 0.000 0.413 116 D N 0.051 120.486 120.400 0.058 0.000 2.178 116 D HA -0.192 4.448 4.640 -0.000 0.000 0.202 116 D C 1.902 178.226 176.300 0.040 0.000 0.974 116 D CA 0.604 54.622 54.000 0.031 0.000 0.841 116 D CB 0.108 40.918 40.800 0.017 0.000 0.953 116 D HN 0.151 nan 8.370 nan 0.000 0.478 117 L N -0.114 121.141 121.223 0.053 0.000 2.179 117 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 117 L C 1.821 178.729 176.870 0.063 0.000 1.096 117 L CA 1.102 55.970 54.840 0.047 0.000 0.779 117 L CB -0.168 41.912 42.059 0.036 0.000 0.922 117 L HN -0.041 nan 8.230 nan 0.000 0.443 118 V N -0.991 118.983 119.914 0.101 0.000 2.273 118 V HA -0.228 3.892 4.120 -0.000 0.000 0.242 118 V C 2.433 178.583 176.094 0.092 0.000 1.035 118 V CA 1.412 63.787 62.300 0.125 0.000 1.013 118 V CB -0.590 31.382 31.823 0.249 0.000 0.652 118 V HN 0.332 nan 8.190 nan 0.000 0.452 119 L N 0.816 122.084 121.223 0.075 0.000 2.103 119 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 119 L C 2.365 179.267 176.870 0.052 0.000 1.080 119 L CA 2.597 57.458 54.840 0.036 0.000 0.764 119 L CB -0.706 41.351 42.059 -0.003 0.000 0.890 119 L HN 0.578 nan 8.230 nan 0.000 0.435 120 D N -1.288 119.138 120.400 0.044 0.000 2.149 120 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 120 D C 2.176 178.506 176.300 0.050 0.000 0.972 120 D CA 0.868 54.892 54.000 0.040 0.000 0.835 120 D CB 0.087 40.902 40.800 0.025 0.000 0.966 120 D HN 0.350 nan 8.370 nan 0.000 0.476 121 R N 0.545 121.076 120.500 0.051 0.000 2.090 121 R HA -0.020 4.320 4.340 -0.000 0.000 0.228 121 R C 2.650 178.984 176.300 0.056 0.000 1.110 121 R CA 0.866 56.992 56.100 0.043 0.000 0.973 121 R CB -0.247 30.079 30.300 0.043 0.000 0.869 121 R HN 0.439 nan 8.270 nan 0.000 0.440 122 I N -1.438 119.180 120.570 0.079 0.000 2.614 122 I HA -0.144 4.026 4.170 -0.000 0.000 0.258 122 I C 2.061 178.266 176.117 0.146 0.000 1.189 122 I CA 1.330 62.691 61.300 0.101 0.000 1.462 122 I CB -0.190 37.851 38.000 0.069 0.000 1.092 122 I HN -0.059 nan 8.210 nan 0.000 0.442 123 R N 1.589 122.186 120.500 0.162 0.000 2.193 123 R HA -0.007 4.333 4.340 -0.000 0.000 0.213 123 R C 2.210 178.573 176.300 0.105 0.000 1.055 123 R CA 0.869 57.089 56.100 0.200 0.000 0.995 123 R CB -0.110 30.294 30.300 0.174 0.000 0.893 123 R HN 0.336 nan 8.270 nan 0.000 0.459 124 K N -0.379 120.057 120.400 0.059 0.000 2.296 124 K HA 0.023 4.343 4.320 -0.000 0.000 0.200 124 K C 1.547 178.145 176.600 -0.004 0.000 1.048 124 K CA 0.679 56.976 56.287 0.016 0.000 0.966 124 K CB 0.161 32.657 32.500 -0.006 0.000 0.754 124 K HN 0.212 nan 8.250 nan 0.000 0.466 125 L N -0.367 120.862 121.223 0.009 0.000 2.162 125 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 125 L C 2.131 178.994 176.870 -0.012 0.000 1.086 125 L CA 0.649 55.479 54.840 -0.016 0.000 0.778 125 L CB -0.166 41.891 42.059 -0.004 0.000 0.928 125 L HN 0.140 nan 8.230 nan 0.000 0.446 126 A N -0.872 121.962 122.820 0.024 0.000 2.168 126 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 126 A C 1.554 179.145 177.584 0.011 0.000 1.152 126 A CA 1.359 53.397 52.037 0.002 0.000 0.716 126 A CB -0.385 18.642 19.000 0.045 0.000 0.794 126 A HN 0.320 nan 8.150 nan 0.000 0.465 127 D N -0.045 120.366 120.400 0.019 0.000 2.277 127 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 127 D C 1.271 177.566 176.300 -0.008 0.000 0.962 127 D CA 0.940 54.948 54.000 0.013 0.000 0.865 127 D CB 0.057 40.866 40.800 0.016 0.000 0.939 127 D HN 0.705 nan 8.370 nan 0.000 0.510 128 Q N 0.302 120.088 119.800 -0.023 0.000 2.923 128 Q HA 0.318 4.658 4.340 -0.000 0.000 0.363 128 Q C -0.960 175.016 176.000 -0.041 0.000 1.159 128 Q CA -0.206 55.580 55.803 -0.029 0.000 1.073 128 Q CB -0.038 28.680 28.738 -0.033 0.000 1.364 128 Q HN 0.032 nan 8.270 nan 0.000 0.466 129 C N 1.686 120.961 119.300 -0.042 0.000 3.027 129 C HA 0.222 4.682 4.460 -0.000 0.000 0.350 129 C C 0.367 175.326 174.990 -0.052 0.000 1.042 129 C CA -0.755 58.227 59.018 -0.061 0.000 1.350 129 C CB 0.919 28.605 27.740 -0.090 0.000 1.809 129 C HN 0.636 nan 8.230 nan 0.000 0.513 130 T N -0.158 114.369 114.554 -0.045 0.000 2.961 130 T HA 0.452 4.802 4.350 -0.000 0.000 0.270 130 T C 0.924 175.599 174.700 -0.042 0.000 0.926 130 T CA 0.802 62.881 62.100 -0.035 0.000 1.112 130 T CB -0.018 68.833 68.868 -0.029 0.000 0.926 130 T HN 1.893 nan 8.240 nan 0.000 0.612 131 G N 2.433 111.207 108.800 -0.043 0.000 2.734 131 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.277 131 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.277 131 G C -0.321 174.530 174.900 -0.082 0.000 1.099 131 G CA -0.448 44.623 45.100 -0.049 0.000 1.218 131 G HN 0.978 nan 8.290 nan 0.000 0.554 132 L N 0.179 121.337 121.223 -0.109 0.000 2.479 132 L HA 0.486 4.826 4.340 -0.000 0.000 0.270 132 L C 1.482 178.231 176.870 -0.201 0.000 1.236 132 L CA 1.174 55.901 54.840 -0.189 0.000 0.823 132 L CB 0.814 42.718 42.059 -0.258 0.000 1.098 132 L HN 0.570 nan 8.230 nan 0.000 0.500 133 Q N 0.896 120.537 119.800 -0.266 0.000 2.462 133 Q HA 0.390 4.730 4.340 -0.000 0.000 0.224 133 Q C 0.170 175.996 176.000 -0.289 0.000 0.911 133 Q CA 0.396 56.066 55.803 -0.222 0.000 0.925 133 Q CB 0.721 29.354 28.738 -0.176 0.000 1.063 133 Q HN 0.977 nan 8.270 nan 0.000 0.572 134 G N -0.703 107.808 108.800 -0.481 0.000 2.324 134 G HA2 0.256 4.216 3.960 -0.000 0.000 0.293 134 G HA3 0.256 4.216 3.960 -0.000 0.000 0.293 134 G C -1.843 172.635 174.900 -0.705 0.000 1.297 134 G CA -0.936 43.828 45.100 -0.561 0.000 0.853 134 G HN 0.072 nan 8.290 nan 0.000 0.535 135 F N 0.386 120.253 119.950 -0.137 0.000 2.508 135 F HA 0.708 5.235 4.527 -0.000 0.000 0.325 135 F C 0.580 176.338 175.800 -0.070 0.000 1.090 135 F CA -0.804 57.129 58.000 -0.111 0.000 0.945 135 F CB 2.755 41.688 39.000 -0.110 0.000 1.156 135 F HN 0.285 nan 8.300 nan 0.000 0.463 136 S N 2.043 117.840 115.700 0.162 0.000 2.422 136 S HA 0.601 5.071 4.470 -0.000 0.000 0.308 136 S C -0.645 173.977 174.600 0.037 0.000 1.097 136 S CA -0.620 57.638 58.200 0.096 0.000 1.099 136 S CB 1.050 64.369 63.200 0.198 0.000 0.976 136 S HN 0.332 nan 8.310 nan 0.000 0.471 137 V N 5.115 124.981 119.914 -0.080 0.000 2.417 137 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 137 V C -1.022 174.999 176.094 -0.122 0.000 1.024 137 V CA -0.655 61.615 62.300 -0.049 0.000 0.861 137 V CB 0.855 32.662 31.823 -0.026 0.000 0.985 137 V HN 0.728 nan 8.190 nan 0.000 0.436 138 F N 5.273 125.253 119.950 0.051 0.000 2.444 138 F HA 0.728 5.255 4.527 -0.000 0.000 0.342 138 F C 0.315 176.247 175.800 0.221 0.000 1.121 138 F CA -0.397 57.689 58.000 0.145 0.000 0.997 138 F CB 1.221 40.228 39.000 0.012 0.000 1.130 138 F HN 0.718 nan 8.300 nan 0.000 0.454 139 H N -0.923 118.264 119.070 0.195 0.000 3.042 139 H HA 0.492 5.048 4.556 -0.000 0.000 0.346 139 H C -1.450 173.938 175.328 0.100 0.000 1.294 139 H CA -1.273 54.858 56.048 0.139 0.000 1.141 139 H CB 0.797 30.640 29.762 0.137 0.000 1.872 139 H HN 0.434 nan 8.280 nan 0.000 0.541 140 S N 1.155 116.863 115.700 0.013 0.000 2.592 140 S HA 0.207 4.677 4.470 -0.000 0.000 0.271 140 S C 1.112 175.722 174.600 0.016 0.000 1.326 140 S CA -0.670 57.514 58.200 -0.027 0.000 1.024 140 S CB 0.826 64.067 63.200 0.068 0.000 0.921 140 S HN 0.565 nan 8.310 nan 0.000 0.527 141 F N 1.042 120.959 119.950 -0.055 0.000 2.074 141 F HA 0.157 4.684 4.527 -0.000 0.000 0.290 141 F C 1.915 177.759 175.800 0.074 0.000 1.118 141 F CA 0.410 58.416 58.000 0.010 0.000 1.199 141 F CB -0.284 38.718 39.000 0.003 0.000 1.012 141 F HN 0.736 nan 8.300 nan 0.000 0.472 142 G N -0.812 108.135 108.800 0.245 0.000 2.522 142 G HA2 0.475 4.435 3.960 -0.000 0.000 0.304 142 G HA3 0.475 4.435 3.960 -0.000 0.000 0.304 142 G C -0.752 174.242 174.900 0.157 0.000 1.210 142 G CA 0.129 45.322 45.100 0.156 0.000 0.960 142 G HN 0.628 nan 8.290 nan 0.000 0.497 143 G N -1.964 106.917 108.800 0.136 0.000 2.742 143 G HA2 0.414 4.374 3.960 -0.000 0.000 0.686 143 G HA3 0.414 4.374 3.960 -0.000 0.000 0.686 143 G C 0.819 175.804 174.900 0.141 0.000 1.220 143 G CA 0.029 45.197 45.100 0.113 0.000 0.783 143 G HN 1.564 nan 8.290 nan 0.000 0.646 144 G N 0.427 109.286 108.800 0.099 0.000 2.806 144 G HA2 0.041 4.001 3.960 -0.000 0.000 0.214 144 G HA3 0.041 4.001 3.960 -0.000 0.000 0.214 144 G C 2.095 177.072 174.900 0.128 0.000 1.331 144 G CA 3.076 48.234 45.100 0.097 0.000 0.807 144 G HN 2.203 nan 8.290 nan 0.000 0.644 145 T N -0.819 113.799 114.554 0.106 0.000 3.043 145 T HA 0.224 4.574 4.350 -0.000 0.000 0.263 145 T C 2.370 177.194 174.700 0.206 0.000 1.094 145 T CA 1.453 63.633 62.100 0.133 0.000 1.127 145 T CB -0.304 68.594 68.868 0.051 0.000 0.905 145 T HN 0.368 nan 8.240 nan 0.000 0.490 146 G N 1.381 110.305 108.800 0.205 0.000 2.442 146 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 146 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 146 G C 1.922 177.063 174.900 0.402 0.000 1.141 146 G CA 1.361 46.634 45.100 0.288 0.000 0.763 146 G HN 0.702 nan 8.290 nan 0.000 0.554 147 S N 0.401 116.317 115.700 0.359 0.000 2.371 147 S HA 0.184 4.654 4.470 -0.000 0.000 0.219 147 S C 2.422 177.229 174.600 0.346 0.000 1.040 147 S CA 1.028 59.488 58.200 0.433 0.000 0.958 147 S CB -0.782 62.692 63.200 0.456 0.000 0.860 147 S HN 0.439 nan 8.310 nan 0.000 0.487 148 G N 1.477 110.386 108.800 0.181 0.000 2.575 148 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 148 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 148 G C 1.212 176.082 174.900 -0.049 0.000 1.262 148 G CA 0.788 45.779 45.100 -0.182 0.000 0.807 148 G HN 0.415 nan 8.290 nan 0.000 0.567 149 F N 1.932 121.845 119.950 -0.061 0.000 2.120 149 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 149 F C 3.040 178.818 175.800 -0.036 0.000 1.095 149 F CA 2.245 60.214 58.000 -0.053 0.000 1.249 149 F CB -0.388 38.596 39.000 -0.028 0.000 0.995 149 F HN 0.157 nan 8.300 nan 0.000 0.480 150 T N -0.866 113.722 114.554 0.057 0.000 2.597 150 T HA -0.321 4.029 4.350 -0.000 0.000 0.267 150 T C 2.168 176.767 174.700 -0.167 0.000 1.053 150 T CA 1.867 63.907 62.100 -0.099 0.000 1.165 150 T CB -0.969 67.817 68.868 -0.137 0.000 0.863 150 T HN 0.346 nan 8.240 nan 0.000 0.427 151 S N 0.673 116.346 115.700 -0.045 0.000 2.372 151 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 151 S C 1.980 176.566 174.600 -0.023 0.000 1.044 151 S CA 1.541 59.744 58.200 0.005 0.000 1.050 151 S CB -0.558 62.688 63.200 0.077 0.000 0.901 151 S HN 0.357 nan 8.310 nan 0.000 0.447 152 L N 1.318 122.511 121.223 -0.050 0.000 2.093 152 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 152 L C 2.156 178.801 176.870 -0.376 0.000 1.085 152 L CA 1.486 56.193 54.840 -0.222 0.000 0.755 152 L CB -0.554 41.228 42.059 -0.461 0.000 0.904 152 L HN 0.395 nan 8.230 nan 0.000 0.435 153 L N -1.061 119.842 121.223 -0.534 0.000 1.970 153 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 153 L C 2.554 179.226 176.870 -0.330 0.000 1.071 153 L CA 2.026 56.571 54.840 -0.492 0.000 0.751 153 L CB -0.308 41.458 42.059 -0.488 0.000 0.889 153 L HN 0.354 nan 8.230 nan 0.000 0.432 154 M N -0.511 118.920 119.600 -0.281 0.000 2.106 154 M HA -0.244 4.236 4.480 -0.000 0.000 0.259 154 M C 2.001 178.061 176.300 -0.399 0.000 1.068 154 M CA 1.651 56.798 55.300 -0.254 0.000 1.100 154 M CB -1.099 31.410 32.600 -0.152 0.000 1.351 154 M HN 0.349 nan 8.290 nan 0.000 0.404 155 E N 0.249 120.200 120.200 -0.415 0.000 2.038 155 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 155 E C 2.106 178.467 176.600 -0.398 0.000 1.000 155 E CA 1.155 57.215 56.400 -0.565 0.000 0.803 155 E CB -0.358 29.227 29.700 -0.192 0.000 0.750 155 E HN 0.586 nan 8.360 nan 0.000 0.448 156 R N 0.390 120.728 120.500 -0.270 0.000 2.153 156 R HA 0.046 4.386 4.340 -0.000 0.000 0.218 156 R C 2.560 178.760 176.300 -0.168 0.000 1.072 156 R CA 0.335 56.316 56.100 -0.198 0.000 0.990 156 R CB -0.194 29.998 30.300 -0.179 0.000 0.889 156 R HN 0.179 nan 8.270 nan 0.000 0.452 157 L N 0.382 121.502 121.223 -0.173 0.000 2.141 157 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 157 L C 2.064 178.957 176.870 0.038 0.000 1.094 157 L CA 1.121 55.934 54.840 -0.045 0.000 0.763 157 L CB -0.178 41.779 42.059 -0.170 0.000 0.908 157 L HN 0.122 nan 8.230 nan 0.000 0.437 158 S N -0.931 114.709 115.700 -0.100 0.000 2.447 158 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 158 S C 1.903 176.478 174.600 -0.043 0.000 1.006 158 S CA 0.750 58.918 58.200 -0.053 0.000 0.957 158 S CB 0.054 63.162 63.200 -0.154 0.000 0.773 158 S HN 0.185 nan 8.310 nan 0.000 0.507 159 V N 2.024 121.881 119.914 -0.095 0.000 2.346 159 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 159 V C 1.852 177.864 176.094 -0.137 0.000 1.037 159 V CA 1.417 63.661 62.300 -0.094 0.000 1.029 159 V CB -0.431 31.331 31.823 -0.102 0.000 0.663 159 V HN 0.409 nan 8.190 nan 0.000 0.454 160 D N -1.242 119.017 120.400 -0.234 0.000 2.323 160 D HA -0.015 4.625 4.640 -0.000 0.000 0.209 160 D C -0.044 175.837 176.300 -0.699 0.000 0.973 160 D CA 0.935 54.638 54.000 -0.495 0.000 0.874 160 D CB 0.213 40.614 40.800 -0.665 0.000 0.930 160 D HN 0.541 nan 8.370 nan 0.000 0.521 161 Y N -0.116 120.209 120.300 0.042 0.000 2.662 161 Y HA 0.342 4.892 4.550 -0.000 0.000 0.358 161 Y C 1.523 177.453 175.900 0.051 0.000 1.041 161 Y CA -0.893 57.253 58.100 0.076 0.000 1.184 161 Y CB 1.338 39.916 38.460 0.197 0.000 1.114 161 Y HN -0.214 nan 8.280 nan 0.000 0.650 162 G N 2.194 111.059 108.800 0.108 0.000 2.721 162 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.218 162 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.218 162 G C 1.436 176.384 174.900 0.080 0.000 1.265 162 G CA 1.729 46.872 45.100 0.071 0.000 0.796 162 G HN 0.508 nan 8.290 nan 0.000 0.620 163 K N 0.821 121.263 120.400 0.070 0.000 1.974 163 K HA 0.075 4.395 4.320 -0.000 0.000 0.211 163 K C 0.749 177.381 176.600 0.053 0.000 1.039 163 K CA 0.704 57.020 56.287 0.049 0.000 0.947 163 K CB -0.364 32.154 32.500 0.030 0.000 0.735 163 K HN 0.120 nan 8.250 nan 0.000 0.441 164 K N 2.691 123.117 120.400 0.044 0.000 2.426 164 K HA -0.124 4.196 4.320 -0.000 0.000 0.251 164 K C -0.268 176.342 176.600 0.017 0.000 1.049 164 K CA 0.631 56.913 56.287 -0.008 0.000 1.147 164 K CB -0.780 31.683 32.500 -0.061 0.000 0.750 164 K HN 0.310 nan 8.250 nan 0.000 0.478 165 S N 3.090 118.776 115.700 -0.023 0.000 2.592 165 S HA 0.251 4.721 4.470 -0.000 0.000 0.271 165 S C 0.013 174.630 174.600 0.028 0.000 1.326 165 S CA -0.734 57.467 58.200 0.001 0.000 1.024 165 S CB 1.200 64.391 63.200 -0.015 0.000 0.921 165 S HN 0.419 nan 8.310 nan 0.000 0.527 166 K N 0.976 121.398 120.400 0.038 0.000 2.450 166 K HA 0.459 4.779 4.320 -0.000 0.000 0.257 166 K C -1.671 174.919 176.600 -0.016 0.000 0.953 166 K CA -0.484 55.838 56.287 0.057 0.000 0.844 166 K CB 1.279 33.824 32.500 0.075 0.000 1.103 166 K HN 0.338 nan 8.250 nan 0.000 0.429 167 L N 3.944 125.147 121.223 -0.032 0.000 2.294 167 L HA 0.212 4.552 4.340 -0.000 0.000 0.283 167 L C -0.135 176.689 176.870 -0.076 0.000 1.015 167 L CA -0.194 54.585 54.840 -0.102 0.000 0.831 167 L CB 1.112 43.095 42.059 -0.126 0.000 1.217 167 L HN 0.583 nan 8.230 nan 0.000 0.420 168 E N 2.564 122.706 120.200 -0.096 0.000 2.242 168 E HA 0.393 4.743 4.350 -0.000 0.000 0.275 168 E C -1.269 175.275 176.600 -0.095 0.000 1.002 168 E CA -0.564 55.826 56.400 -0.016 0.000 0.841 168 E CB 1.322 31.082 29.700 0.100 0.000 1.109 168 E HN 0.292 nan 8.360 nan 0.000 0.394 169 F N 1.875 121.751 119.950 -0.123 0.000 2.443 169 F HA 0.252 4.779 4.527 -0.000 0.000 0.369 169 F C -0.407 175.346 175.800 -0.080 0.000 1.090 169 F CA -0.480 57.469 58.000 -0.085 0.000 1.129 169 F CB 1.636 40.446 39.000 -0.317 0.000 1.367 169 F HN 0.348 nan 8.300 nan 0.000 0.465 170 S N 3.477 119.126 115.700 -0.085 0.000 2.585 170 S HA 0.559 5.029 4.470 -0.000 0.000 0.277 170 S C -0.247 174.113 174.600 -0.400 0.000 1.241 170 S CA -0.421 57.453 58.200 -0.543 0.000 1.041 170 S CB 1.270 63.848 63.200 -1.037 0.000 0.987 170 S HN 0.330 nan 8.310 nan 0.000 0.512 171 I N 3.165 123.497 120.570 -0.396 0.000 2.388 171 I HA 0.201 4.371 4.170 -0.000 0.000 0.281 171 I C -0.605 175.529 176.117 0.029 0.000 1.046 171 I CA -0.398 60.840 61.300 -0.104 0.000 1.187 171 I CB 0.292 38.284 38.000 -0.013 0.000 1.351 171 I HN 0.607 nan 8.210 nan 0.000 0.472 172 Y N 10.007 130.307 120.300 0.000 0.000 2.465 172 Y HA 0.317 4.867 4.550 -0.000 0.000 0.331 172 Y C -2.168 173.801 175.900 0.116 0.000 1.102 172 Y CA -2.144 56.089 58.100 0.221 0.000 1.358 172 Y CB 0.425 38.969 38.460 0.140 0.000 1.213 172 Y HN 0.364 nan 8.280 nan 0.000 0.525 173 P HA 0.395 nan 4.420 nan 0.000 0.282 173 P C -1.689 175.559 177.300 -0.088 0.000 1.249 173 P CA -0.403 62.658 63.100 -0.065 0.000 0.806 173 P CB 1.601 33.240 31.700 -0.101 0.000 0.984 174 A N 4.054 126.864 122.820 -0.017 0.000 2.375 174 A HA 0.568 4.888 4.320 -0.000 0.000 0.295 174 A C -1.877 175.661 177.584 -0.076 0.000 1.066 174 A CA -1.705 50.315 52.037 -0.028 0.000 0.722 174 A CB 0.806 19.811 19.000 0.009 0.000 1.206 174 A HN 0.229 nan 8.150 nan 0.000 0.435 175 P HA -0.395 nan 4.420 nan 0.000 0.230 175 P C 1.537 178.767 177.300 -0.117 0.000 1.124 175 P CA 2.610 65.656 63.100 -0.090 0.000 0.985 175 P CB 0.036 31.687 31.700 -0.082 0.000 0.774 176 Q N -0.539 119.144 119.800 -0.196 0.000 1.990 176 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 176 Q C 1.207 177.084 176.000 -0.205 0.000 0.980 176 Q CA 1.474 57.120 55.803 -0.262 0.000 0.832 176 Q CB -1.485 26.936 28.738 -0.528 0.000 0.897 176 Q HN 0.158 nan 8.270 nan 0.000 0.427 177 V N 2.939 122.730 119.914 -0.204 0.000 2.054 177 V HA 0.046 4.166 4.120 -0.000 0.000 0.243 177 V C 0.298 176.368 176.094 -0.040 0.000 1.480 177 V CA -0.280 61.964 62.300 -0.094 0.000 1.440 177 V CB -1.117 30.697 31.823 -0.015 0.000 1.489 177 V HN 0.271 nan 8.190 nan 0.000 0.502 178 S N 2.597 118.263 115.700 -0.056 0.000 4.620 178 S HA -0.134 4.336 4.470 -0.000 0.000 0.552 178 S C 1.047 175.656 174.600 0.015 0.000 0.994 178 S CA 1.070 59.256 58.200 -0.023 0.000 0.991 178 S CB 0.001 63.189 63.200 -0.020 0.000 1.522 178 S HN 1.084 nan 8.310 nan 0.000 0.402 179 T N 1.991 116.537 114.554 -0.013 0.000 2.850 179 T HA 0.886 5.236 4.350 -0.000 0.000 0.269 179 T C -0.064 174.618 174.700 -0.030 0.000 1.075 179 T CA -0.317 61.774 62.100 -0.014 0.000 0.987 179 T CB 1.201 70.043 68.868 -0.044 0.000 1.889 179 T HN 1.083 nan 8.240 nan 0.000 0.584 180 A N -0.261 122.525 122.820 -0.057 0.000 2.486 180 A HA 0.662 4.982 4.320 -0.000 0.000 0.300 180 A C 1.064 178.558 177.584 -0.151 0.000 1.048 180 A CA -0.718 51.265 52.037 -0.090 0.000 0.696 180 A CB 1.328 20.281 19.000 -0.079 0.000 1.278 180 A HN 0.671 nan 8.150 nan 0.000 0.405 181 V N 2.003 121.792 119.914 -0.207 0.000 2.277 181 V HA -0.284 3.836 4.120 -0.000 0.000 0.253 181 V C 2.570 178.393 176.094 -0.451 0.000 1.067 181 V CA 2.864 64.972 62.300 -0.320 0.000 1.047 181 V CB -0.753 30.826 31.823 -0.407 0.000 0.649 181 V HN 1.281 nan 8.190 nan 0.000 0.447 182 V N -0.818 118.808 119.914 -0.480 0.000 3.141 182 V HA -0.151 3.969 4.120 -0.000 0.000 0.265 182 V C 2.171 178.174 176.094 -0.151 0.000 1.126 182 V CA 2.144 64.205 62.300 -0.399 0.000 1.141 182 V CB -0.260 31.440 31.823 -0.205 0.000 0.743 182 V HN 0.616 nan 8.190 nan 0.000 0.492 183 E N 1.250 121.382 120.200 -0.113 0.000 2.132 183 E HA -0.238 4.112 4.350 -0.000 0.000 0.218 183 E C -0.046 176.550 176.600 -0.007 0.000 1.058 183 E CA 3.226 59.605 56.400 -0.036 0.000 0.882 183 E CB -1.313 28.349 29.700 -0.063 0.000 0.774 183 E HN 0.572 nan 8.360 nan 0.000 0.467 184 P HA -0.184 nan 4.420 nan 0.000 0.217 184 P C 0.721 178.173 177.300 0.253 0.000 1.148 184 P CA 1.418 64.543 63.100 0.041 0.000 0.828 184 P CB -0.152 31.567 31.700 0.032 0.000 0.783 185 Y N -0.467 119.909 120.300 0.126 0.000 2.089 185 Y HA -0.232 4.318 4.550 -0.000 0.000 0.282 185 Y C 2.375 178.300 175.900 0.041 0.000 1.139 185 Y CA 0.381 58.575 58.100 0.157 0.000 1.123 185 Y CB -0.711 37.811 38.460 0.103 0.000 0.980 185 Y HN -0.047 nan 8.280 nan 0.000 0.493 186 N N 0.206 119.067 118.700 0.269 0.000 2.094 186 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 186 N C 1.833 177.383 175.510 0.065 0.000 1.023 186 N CA 1.799 54.968 53.050 0.198 0.000 0.857 186 N CB -0.611 38.037 38.487 0.269 0.000 1.013 186 N HN 0.281 nan 8.380 nan 0.000 0.426 187 S N 1.436 117.135 115.700 -0.002 0.000 2.348 187 S HA -0.060 4.410 4.470 -0.000 0.000 0.221 187 S C 2.059 176.479 174.600 -0.299 0.000 1.033 187 S CA 0.707 58.777 58.200 -0.218 0.000 1.010 187 S CB -0.291 62.695 63.200 -0.357 0.000 0.891 187 S HN 0.173 nan 8.310 nan 0.000 0.442 188 I N 1.996 122.435 120.570 -0.218 0.000 2.163 188 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 188 I C 2.392 178.308 176.117 -0.335 0.000 1.085 188 I CA 1.153 62.264 61.300 -0.315 0.000 1.347 188 I CB -1.446 36.304 38.000 -0.417 0.000 1.044 188 I HN 0.262 nan 8.210 nan 0.000 0.408 189 L N -0.095 120.913 121.223 -0.358 0.000 1.971 189 L HA -0.300 4.040 4.340 -0.000 0.000 0.215 189 L C 2.704 179.260 176.870 -0.523 0.000 1.072 189 L CA 2.210 56.696 54.840 -0.591 0.000 0.758 189 L CB -0.652 40.880 42.059 -0.877 0.000 0.889 189 L HN 0.276 nan 8.230 nan 0.000 0.433 190 T N -1.984 112.406 114.554 -0.274 0.000 2.674 190 T HA -0.245 4.105 4.350 -0.000 0.000 0.265 190 T C 1.869 176.606 174.700 0.062 0.000 1.039 190 T CA 2.033 64.167 62.100 0.057 0.000 1.150 190 T CB -0.172 68.905 68.868 0.349 0.000 0.864 190 T HN 0.371 nan 8.240 nan 0.000 0.427 191 T N 0.068 114.646 114.554 0.040 0.000 2.918 191 T HA -0.214 4.136 4.350 -0.000 0.000 0.271 191 T C 1.618 176.306 174.700 -0.020 0.000 1.104 191 T CA 2.122 64.259 62.100 0.062 0.000 1.114 191 T CB -0.449 68.335 68.868 -0.140 0.000 0.855 191 T HN 0.647 nan 8.240 nan 0.000 0.518 192 H N 0.992 119.949 119.070 -0.189 0.000 2.266 192 H HA 0.040 4.596 4.556 -0.000 0.000 0.308 192 H C 2.409 177.660 175.328 -0.128 0.000 1.057 192 H CA 2.588 58.514 56.048 -0.203 0.000 1.330 192 H CB -0.825 28.774 29.762 -0.272 0.000 1.400 192 H HN 0.338 nan 8.280 nan 0.000 0.503 193 T N -1.396 112.845 114.554 -0.522 0.000 2.665 193 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 193 T C 2.126 176.719 174.700 -0.179 0.000 1.035 193 T CA 2.020 63.850 62.100 -0.449 0.000 1.151 193 T CB -1.122 67.615 68.868 -0.219 0.000 0.862 193 T HN 0.399 nan 8.240 nan 0.000 0.438 194 T N 1.373 115.905 114.554 -0.038 0.000 2.929 194 T HA 0.079 4.429 4.350 -0.000 0.000 0.271 194 T C 1.791 176.529 174.700 0.063 0.000 1.085 194 T CA 0.696 62.840 62.100 0.073 0.000 1.125 194 T CB -0.526 68.422 68.868 0.134 0.000 0.874 194 T HN 0.367 nan 8.240 nan 0.000 0.494 195 L N 1.529 122.753 121.223 0.002 0.000 2.027 195 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 195 L C 2.248 179.072 176.870 -0.077 0.000 1.074 195 L CA 2.006 56.849 54.840 0.006 0.000 0.745 195 L CB -0.377 41.687 42.059 0.008 0.000 0.898 195 L HN 0.381 nan 8.230 nan 0.000 0.433 196 E N -2.422 117.662 120.200 -0.193 0.000 2.512 196 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 196 E C 0.980 177.410 176.600 -0.283 0.000 1.083 196 E CA 1.010 57.255 56.400 -0.258 0.000 0.873 196 E CB -0.306 29.200 29.700 -0.324 0.000 0.897 196 E HN 0.694 nan 8.360 nan 0.000 0.514 197 H N -1.175 117.869 119.070 -0.043 0.000 3.241 197 H HA 0.302 4.858 4.556 -0.000 0.000 0.260 197 H C 0.055 175.365 175.328 -0.029 0.000 1.084 197 H CA -0.348 55.680 56.048 -0.034 0.000 1.203 197 H CB 1.190 30.927 29.762 -0.041 0.000 1.524 197 H HN -0.019 nan 8.280 nan 0.000 0.521 198 S N -0.264 115.476 115.700 0.068 0.000 2.654 198 S HA 0.070 4.540 4.470 -0.000 0.000 0.283 198 S C 0.291 174.868 174.600 -0.039 0.000 1.180 198 S CA -0.483 57.723 58.200 0.010 0.000 1.021 198 S CB 1.294 64.492 63.200 -0.003 0.000 1.018 198 S HN 0.256 nan 8.310 nan 0.000 0.532 199 D N 0.160 120.524 120.400 -0.060 0.000 2.323 199 D HA 0.193 4.833 4.640 -0.000 0.000 0.218 199 D C 0.134 176.356 176.300 -0.131 0.000 0.973 199 D CA 0.498 54.456 54.000 -0.070 0.000 0.890 199 D CB 0.497 41.275 40.800 -0.037 0.000 1.011 199 D HN 0.468 nan 8.370 nan 0.000 0.499 200 C N 0.047 119.231 119.300 -0.192 0.000 3.113 200 C HA 0.832 5.292 4.460 -0.000 0.000 0.376 200 C C -1.664 173.080 174.990 -0.410 0.000 1.077 200 C CA -0.619 58.213 59.018 -0.310 0.000 1.253 200 C CB 0.495 28.090 27.740 -0.240 0.000 1.637 200 C HN 0.193 nan 8.230 nan 0.000 0.535 201 A N 3.807 126.333 122.820 -0.490 0.000 2.414 201 A HA 0.891 5.211 4.320 -0.000 0.000 0.306 201 A C -1.325 176.020 177.584 -0.398 0.000 1.054 201 A CA -0.430 51.404 52.037 -0.340 0.000 0.724 201 A CB 0.954 19.967 19.000 0.021 0.000 1.267 201 A HN 0.908 nan 8.150 nan 0.000 0.418 202 F N 1.875 121.695 119.950 -0.216 0.000 2.332 202 F HA 0.426 4.953 4.527 -0.000 0.000 0.368 202 F C 0.526 176.269 175.800 -0.095 0.000 1.110 202 F CA -0.123 57.754 58.000 -0.206 0.000 1.087 202 F CB 1.542 40.205 39.000 -0.561 0.000 1.235 202 F HN 0.480 nan 8.300 nan 0.000 0.470 203 M N 3.244 122.933 119.600 0.149 0.000 2.235 203 M HA 0.441 4.921 4.480 -0.000 0.000 0.351 203 M C -0.931 175.392 176.300 0.039 0.000 1.178 203 M CA -0.340 54.975 55.300 0.025 0.000 1.143 203 M CB 1.179 33.747 32.600 -0.053 0.000 1.530 203 M HN 0.211 nan 8.290 nan 0.000 0.461 204 V N 2.910 122.839 119.914 0.025 0.000 2.419 204 V HA 0.168 4.288 4.120 -0.000 0.000 0.287 204 V C -0.726 175.416 176.094 0.081 0.000 1.017 204 V CA -0.948 61.389 62.300 0.062 0.000 0.844 204 V CB 1.626 33.513 31.823 0.107 0.000 1.011 204 V HN 0.701 nan 8.190 nan 0.000 0.429 205 D N 3.624 124.053 120.400 0.048 0.000 2.343 205 D HA 0.104 4.744 4.640 -0.000 0.000 0.255 205 D C 1.109 177.486 176.300 0.127 0.000 1.187 205 D CA 0.427 54.492 54.000 0.109 0.000 0.875 205 D CB 0.853 41.634 40.800 -0.031 0.000 1.136 205 D HN 0.532 nan 8.370 nan 0.000 0.469 206 N N 2.710 121.508 118.700 0.163 0.000 2.381 206 N HA -0.159 4.581 4.740 -0.000 0.000 0.182 206 N C 1.209 176.793 175.510 0.124 0.000 1.025 206 N CA 0.434 53.568 53.050 0.139 0.000 0.888 206 N CB 0.306 38.874 38.487 0.135 0.000 0.965 206 N HN 0.612 nan 8.380 nan 0.000 0.438 207 E N 0.698 120.954 120.200 0.093 0.000 2.152 207 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 207 E C 1.863 178.540 176.600 0.129 0.000 0.983 207 E CA 0.594 57.029 56.400 0.058 0.000 0.818 207 E CB 0.081 29.793 29.700 0.020 0.000 0.758 207 E HN 0.294 nan 8.360 nan 0.000 0.467 208 A N 1.014 123.891 122.820 0.095 0.000 1.930 208 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 208 A C 2.005 179.650 177.584 0.102 0.000 1.175 208 A CA 0.937 53.021 52.037 0.079 0.000 0.627 208 A CB -0.291 18.731 19.000 0.036 0.000 0.815 208 A HN 0.283 nan 8.150 nan 0.000 0.443 209 I N -1.470 119.169 120.570 0.116 0.000 2.500 209 I HA -0.135 4.035 4.170 -0.000 0.000 0.252 209 I C 2.334 178.530 176.117 0.131 0.000 1.142 209 I CA 1.075 62.438 61.300 0.104 0.000 1.451 209 I CB -1.587 36.472 38.000 0.099 0.000 1.093 209 I HN 0.587 nan 8.210 nan 0.000 0.430 210 Y N 2.248 122.563 120.300 0.025 0.000 2.181 210 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 210 Y C 2.128 178.034 175.900 0.010 0.000 1.146 210 Y CA 1.821 59.928 58.100 0.012 0.000 1.164 210 Y CB -0.480 37.985 38.460 0.008 0.000 0.982 210 Y HN 0.144 nan 8.280 nan 0.000 0.515 211 D N 0.231 120.786 120.400 0.259 0.000 2.117 211 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 211 D C 2.053 178.367 176.300 0.024 0.000 0.987 211 D CA 1.943 56.023 54.000 0.133 0.000 0.829 211 D CB -0.234 40.656 40.800 0.149 0.000 0.961 211 D HN 0.451 nan 8.370 nan 0.000 0.460 212 I N -0.256 120.334 120.570 0.033 0.000 2.394 212 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 212 I C 1.948 178.056 176.117 -0.015 0.000 1.136 212 I CA 0.590 61.901 61.300 0.018 0.000 1.425 212 I CB 0.076 38.098 38.000 0.037 0.000 1.079 212 I HN 0.153 nan 8.210 nan 0.000 0.425 213 C N 0.226 119.498 119.300 -0.047 0.000 2.456 213 C HA -0.032 4.428 4.460 -0.000 0.000 0.279 213 C C 2.732 177.652 174.990 -0.116 0.000 1.427 213 C CA 0.599 59.570 59.018 -0.078 0.000 1.778 213 C CB -1.379 26.300 27.740 -0.101 0.000 1.842 213 C HN 0.413 nan 8.230 nan 0.000 0.531 214 R N 0.006 120.418 120.500 -0.146 0.000 2.062 214 R HA 0.061 4.401 4.340 -0.000 0.000 0.218 214 R C 2.403 178.662 176.300 -0.068 0.000 1.161 214 R CA 0.413 56.426 56.100 -0.144 0.000 0.994 214 R CB -0.368 29.808 30.300 -0.207 0.000 0.888 214 R HN 0.318 nan 8.270 nan 0.000 0.442 215 R N 0.624 121.100 120.500 -0.041 0.000 2.127 215 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 215 R C 1.501 177.795 176.300 -0.010 0.000 1.134 215 R CA 1.515 57.605 56.100 -0.016 0.000 0.975 215 R CB 0.092 30.392 30.300 -0.000 0.000 0.865 215 R HN 0.288 nan 8.270 nan 0.000 0.447 216 N N -0.859 117.835 118.700 -0.010 0.000 2.607 216 N HA -0.047 4.693 4.740 -0.000 0.000 0.207 216 N C 1.333 176.845 175.510 0.003 0.000 1.040 216 N CA 0.475 53.527 53.050 0.003 0.000 0.947 216 N CB -0.045 38.452 38.487 0.017 0.000 1.293 216 N HN 0.037 nan 8.380 nan 0.000 0.446 217 L N 1.667 122.886 121.223 -0.007 0.000 2.313 217 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 217 L C -0.084 176.777 176.870 -0.015 0.000 1.119 217 L CA 0.955 55.791 54.840 -0.006 0.000 0.809 217 L CB -0.866 41.184 42.059 -0.015 0.000 0.933 217 L HN 0.237 nan 8.230 nan 0.000 0.449 218 D N -0.040 120.342 120.400 -0.030 0.000 2.737 218 D HA -0.224 4.416 4.640 -0.000 0.000 0.243 218 D C -0.353 175.920 176.300 -0.045 0.000 1.109 218 D CA 0.388 54.368 54.000 -0.034 0.000 0.702 218 D CB -1.107 39.684 40.800 -0.014 0.000 1.068 218 D HN 0.252 nan 8.370 nan 0.000 0.432 219 I N 0.547 121.074 120.570 -0.072 0.000 2.330 219 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 219 I C 1.670 177.723 176.117 -0.108 0.000 1.001 219 I CA -0.844 60.410 61.300 -0.077 0.000 1.193 219 I CB 1.539 39.493 38.000 -0.076 0.000 1.345 219 I HN -0.003 nan 8.210 nan 0.000 0.461 220 E N 4.654 124.809 120.200 -0.076 0.000 2.077 220 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 220 E C 1.071 177.620 176.600 -0.085 0.000 0.989 220 E CA 1.152 57.508 56.400 -0.073 0.000 0.800 220 E CB 0.223 29.900 29.700 -0.039 0.000 0.746 220 E HN 0.684 nan 8.360 nan 0.000 0.452 221 R N 1.992 122.450 120.500 -0.070 0.000 2.477 221 R HA 0.246 4.586 4.340 -0.000 0.000 0.285 221 R C -2.667 173.592 176.300 -0.068 0.000 1.415 221 R CA -1.534 54.534 56.100 -0.054 0.000 1.446 221 R CB -0.365 29.920 30.300 -0.026 0.000 1.110 221 R HN 0.016 nan 8.270 nan 0.000 0.590 222 P HA 0.082 nan 4.420 nan 0.000 0.262 222 P C -0.297 176.970 177.300 -0.055 0.000 1.199 222 P CA 0.441 63.487 63.100 -0.090 0.000 0.763 222 P CB 0.894 32.502 31.700 -0.152 0.000 0.790 223 T N 2.513 117.042 114.554 -0.041 0.000 2.754 223 T HA 0.106 4.456 4.350 -0.000 0.000 0.286 223 T C 1.191 175.893 174.700 0.003 0.000 0.997 223 T CA -0.126 61.949 62.100 -0.042 0.000 0.982 223 T CB 0.462 69.334 68.868 0.007 0.000 1.027 223 T HN 0.315 nan 8.240 nan 0.000 0.529 224 Y N 0.269 120.584 120.300 0.024 0.000 2.163 224 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 224 Y C 3.261 179.167 175.900 0.010 0.000 1.136 224 Y CA 1.338 59.451 58.100 0.022 0.000 1.147 224 Y CB -0.227 38.243 38.460 0.017 0.000 0.987 224 Y HN 0.752 nan 8.280 nan 0.000 0.509 225 T N -0.580 114.090 114.554 0.193 0.000 2.897 225 T HA -0.220 4.130 4.350 -0.000 0.000 0.271 225 T C 1.335 176.072 174.700 0.062 0.000 1.084 225 T CA 2.110 64.269 62.100 0.098 0.000 1.123 225 T CB -0.529 68.384 68.868 0.074 0.000 0.865 225 T HN 0.420 nan 8.240 nan 0.000 0.496 226 N N -0.900 117.835 118.700 0.059 0.000 2.290 226 N HA 0.101 4.841 4.740 -0.000 0.000 0.179 226 N C 1.436 176.964 175.510 0.031 0.000 1.016 226 N CA 0.483 53.550 53.050 0.029 0.000 0.871 226 N CB 0.031 38.523 38.487 0.009 0.000 0.987 226 N HN 0.184 nan 8.380 nan 0.000 0.431 227 L N 1.310 122.574 121.223 0.068 0.000 2.049 227 L HA -0.006 4.334 4.340 -0.000 0.000 0.203 227 L C 1.792 178.693 176.870 0.053 0.000 1.074 227 L CA 1.331 56.217 54.840 0.076 0.000 0.749 227 L CB -1.095 41.053 42.059 0.148 0.000 0.907 227 L HN 0.210 nan 8.230 nan 0.000 0.439 228 N N -0.069 118.669 118.700 0.063 0.000 2.094 228 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 228 N C 1.948 177.441 175.510 -0.030 0.000 1.023 228 N CA 1.109 54.166 53.050 0.011 0.000 0.857 228 N CB -0.234 38.254 38.487 0.002 0.000 1.013 228 N HN 0.330 nan 8.380 nan 0.000 0.426 229 R N 0.276 120.765 120.500 -0.019 0.000 2.091 229 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 229 R C 2.062 178.315 176.300 -0.078 0.000 1.136 229 R CA 0.867 56.942 56.100 -0.042 0.000 0.959 229 R CB -0.355 29.934 30.300 -0.019 0.000 0.856 229 R HN 0.140 nan 8.270 nan 0.000 0.437 230 L N 1.213 122.395 121.223 -0.070 0.000 2.027 230 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 230 L C 1.972 178.753 176.870 -0.149 0.000 1.074 230 L CA 1.575 56.347 54.840 -0.112 0.000 0.745 230 L CB -0.628 41.394 42.059 -0.061 0.000 0.898 230 L HN 0.135 nan 8.230 nan 0.000 0.433 231 I N -0.398 120.123 120.570 -0.081 0.000 2.264 231 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 231 I C 2.523 178.571 176.117 -0.115 0.000 1.111 231 I CA 1.181 62.443 61.300 -0.062 0.000 1.382 231 I CB -1.257 36.740 38.000 -0.005 0.000 1.060 231 I HN 0.405 nan 8.210 nan 0.000 0.418 232 G N 0.328 109.042 108.800 -0.143 0.000 2.553 232 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.218 232 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.218 232 G C 1.537 176.318 174.900 -0.198 0.000 1.195 232 G CA 1.183 46.166 45.100 -0.196 0.000 0.779 232 G HN 0.312 nan 8.290 nan 0.000 0.577 233 Q N -0.079 119.585 119.800 -0.228 0.000 2.077 233 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 233 Q C 2.531 178.340 176.000 -0.320 0.000 0.989 233 Q CA 1.496 57.115 55.803 -0.307 0.000 0.853 233 Q CB -0.345 28.087 28.738 -0.509 0.000 0.907 233 Q HN 0.564 nan 8.270 nan 0.000 0.418 234 I N -1.049 119.320 120.570 -0.335 0.000 2.163 234 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 234 I C 2.030 178.147 176.117 -0.002 0.000 1.085 234 I CA 0.929 62.145 61.300 -0.141 0.000 1.347 234 I CB -0.368 37.592 38.000 -0.067 0.000 1.044 234 I HN 0.064 nan 8.210 nan 0.000 0.408 235 V N -0.202 119.705 119.914 -0.012 0.000 2.287 235 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 235 V C 2.608 178.735 176.094 0.055 0.000 1.053 235 V CA 2.189 64.497 62.300 0.013 0.000 1.027 235 V CB -1.006 30.713 31.823 -0.174 0.000 0.646 235 V HN 0.604 nan 8.190 nan 0.000 0.447 236 S N 0.301 116.016 115.700 0.025 0.000 2.359 236 S HA -0.267 4.203 4.470 -0.000 0.000 0.223 236 S C 2.134 176.824 174.600 0.150 0.000 1.039 236 S CA 2.422 60.705 58.200 0.139 0.000 1.042 236 S CB -0.505 62.754 63.200 0.098 0.000 0.915 236 S HN 0.620 nan 8.310 nan 0.000 0.439 237 S N 1.285 117.065 115.700 0.135 0.000 2.399 237 S HA 0.040 4.510 4.470 -0.000 0.000 0.231 237 S C 1.754 176.451 174.600 0.161 0.000 1.022 237 S CA 1.381 59.680 58.200 0.165 0.000 0.983 237 S CB -0.488 62.849 63.200 0.228 0.000 0.803 237 S HN 0.559 nan 8.310 nan 0.000 0.480 238 I N 1.784 122.450 120.570 0.161 0.000 2.133 238 I HA -0.202 3.968 4.170 -0.000 0.000 0.238 238 I C 2.982 179.311 176.117 0.353 0.000 1.074 238 I CA 1.634 63.063 61.300 0.214 0.000 1.342 238 I CB -1.075 36.998 38.000 0.122 0.000 1.053 238 I HN 0.425 nan 8.210 nan 0.000 0.404 239 T N -0.144 114.585 114.554 0.291 0.000 2.588 239 T HA -0.205 4.145 4.350 -0.000 0.000 0.261 239 T C 1.982 176.798 174.700 0.193 0.000 1.069 239 T CA 1.313 63.558 62.100 0.242 0.000 1.172 239 T CB -0.954 67.924 68.868 0.017 0.000 0.863 239 T HN 0.409 nan 8.240 nan 0.000 0.408 240 A N 2.475 125.368 122.820 0.122 0.000 1.534 240 A HA -0.387 3.933 4.320 -0.000 0.000 0.355 240 A C 2.566 180.333 177.584 0.305 0.000 4.590 240 A CA 4.666 56.857 52.037 0.256 0.000 1.005 240 A CB -2.130 17.041 19.000 0.285 0.000 0.635 240 A HN 1.440 nan 8.150 nan 0.000 0.506 241 S N 0.023 115.876 115.700 0.254 0.000 2.429 241 S HA -0.286 4.184 4.470 -0.000 0.000 0.251 241 S C 1.303 176.033 174.600 0.217 0.000 1.104 241 S CA 2.451 60.777 58.200 0.210 0.000 1.130 241 S CB -1.129 62.164 63.200 0.154 0.000 1.000 241 S HN 1.575 nan 8.310 nan 0.000 0.449 242 L N -0.318 121.047 121.223 0.238 0.000 2.685 242 L HA 0.486 4.826 4.340 -0.000 0.000 0.233 242 L C 1.545 178.524 176.870 0.182 0.000 1.173 242 L CA 0.029 55.002 54.840 0.221 0.000 0.961 242 L CB -0.678 41.548 42.059 0.279 0.000 1.217 242 L HN 0.160 nan 8.230 nan 0.000 0.478 243 R N -1.569 118.975 120.500 0.073 0.000 2.342 243 R HA 0.326 4.666 4.340 -0.000 0.000 0.204 243 R C 1.083 177.247 176.300 -0.227 0.000 0.882 243 R CA 0.468 56.489 56.100 -0.133 0.000 1.041 243 R CB -0.125 29.895 30.300 -0.467 0.000 1.188 243 R HN 0.331 nan 8.270 nan 0.000 0.598 244 F N 1.493 121.538 119.950 0.158 0.000 2.678 244 F HA 0.129 4.656 4.527 -0.000 0.000 0.291 244 F C 0.151 176.014 175.800 0.105 0.000 1.123 244 F CA -0.097 57.992 58.000 0.149 0.000 1.395 244 F CB 0.460 39.513 39.000 0.088 0.000 1.121 244 F HN -0.012 nan 8.300 nan 0.000 0.592 245 D N 1.017 121.564 120.400 0.245 0.000 5.148 245 D HA -0.086 4.554 4.640 -0.000 0.000 0.234 245 D C -0.497 175.876 176.300 0.122 0.000 1.348 245 D CA 1.176 55.269 54.000 0.155 0.000 1.228 245 D CB -0.778 40.093 40.800 0.118 0.000 0.664 245 D HN 0.533 nan 8.370 nan 0.000 0.328 246 G N 2.057 110.905 108.800 0.080 0.000 3.288 246 G HA2 0.667 4.627 3.960 -0.000 0.000 0.285 246 G HA3 0.667 4.627 3.960 -0.000 0.000 0.285 246 G C 0.247 175.144 174.900 -0.004 0.000 3.680 246 G CA 0.816 45.925 45.100 0.015 0.000 0.508 246 G HN 1.660 nan 8.290 nan 0.000 0.300 247 A N 1.830 124.656 122.820 0.010 0.000 3.811 247 A HA 0.270 4.590 4.320 -0.000 0.000 0.687 247 A C 0.955 178.544 177.584 0.010 0.000 2.035 247 A CA 0.640 52.682 52.037 0.008 0.000 2.350 247 A CB -0.540 18.456 19.000 -0.007 0.000 1.398 247 A HN 2.487 nan 8.150 nan 0.000 0.652 248 L N 0.560 121.785 121.223 0.003 0.000 3.181 248 L HA -0.234 4.106 4.340 -0.000 0.000 0.569 248 L C 0.750 177.598 176.870 -0.037 0.000 1.002 248 L CA 2.096 56.925 54.840 -0.018 0.000 1.276 248 L CB -1.988 40.064 42.059 -0.012 0.000 1.285 248 L HN 1.568 nan 8.230 nan 0.000 0.642 249 N N 0.312 118.970 118.700 -0.069 0.000 2.746 249 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 249 N C 0.366 175.962 175.510 0.143 0.000 1.055 249 N CA 0.511 53.512 53.050 -0.081 0.000 0.699 249 N CB -0.695 37.470 38.487 -0.536 0.000 0.919 249 N HN 0.393 nan 8.380 nan 0.000 0.548 250 V N -0.522 119.467 119.914 0.125 0.000 3.177 250 V HA 0.220 4.340 4.120 -0.000 0.000 0.342 250 V C -0.175 176.001 176.094 0.137 0.000 1.379 250 V CA 0.505 62.887 62.300 0.136 0.000 1.191 250 V CB 0.315 32.191 31.823 0.089 0.000 1.167 250 V HN 0.396 nan 8.190 nan 0.000 0.471 251 D N -0.853 119.658 120.400 0.184 0.000 2.795 251 D HA 0.197 4.837 4.640 -0.000 0.000 0.206 251 D C 0.658 177.098 176.300 0.233 0.000 1.278 251 D CA -0.471 53.620 54.000 0.151 0.000 0.839 251 D CB 1.913 42.773 40.800 0.100 0.000 1.700 251 D HN 0.038 nan 8.370 nan 0.000 0.549 252 L N 1.424 122.742 121.223 0.157 0.000 2.079 252 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 252 L C 2.212 179.184 176.870 0.170 0.000 1.081 252 L CA 1.635 56.560 54.840 0.142 0.000 0.752 252 L CB -0.415 41.639 42.059 -0.008 0.000 0.896 252 L HN 0.507 nan 8.230 nan 0.000 0.433 253 T N -1.766 112.853 114.554 0.108 0.000 2.622 253 T HA -0.289 4.061 4.350 -0.000 0.000 0.266 253 T C 1.635 176.407 174.700 0.121 0.000 1.047 253 T CA 1.247 63.399 62.100 0.086 0.000 1.159 253 T CB -0.423 68.473 68.868 0.047 0.000 0.863 253 T HN 0.315 nan 8.240 nan 0.000 0.422 254 E N -0.120 120.154 120.200 0.122 0.000 2.393 254 E HA -0.128 4.222 4.350 -0.000 0.000 0.201 254 E C 1.537 178.193 176.600 0.094 0.000 1.025 254 E CA 0.562 57.017 56.400 0.092 0.000 0.856 254 E CB -0.221 29.521 29.700 0.070 0.000 0.771 254 E HN 0.533 nan 8.360 nan 0.000 0.526 255 F N 0.708 120.691 119.950 0.055 0.000 2.149 255 F HA -0.155 4.372 4.527 -0.000 0.000 0.294 255 F C 2.770 178.595 175.800 0.042 0.000 1.095 255 F CA 1.520 59.566 58.000 0.077 0.000 1.276 255 F CB -0.084 38.973 39.000 0.096 0.000 1.023 255 F HN 0.027 nan 8.300 nan 0.000 0.480 256 Q N -0.564 119.372 119.800 0.226 0.000 2.083 256 Q HA -0.161 4.179 4.340 -0.000 0.000 0.198 256 Q C 1.951 177.982 176.000 0.052 0.000 0.969 256 Q CA 1.913 57.775 55.803 0.097 0.000 0.838 256 Q CB -0.579 28.189 28.738 0.050 0.000 0.900 256 Q HN 0.245 nan 8.270 nan 0.000 0.436 257 T N 1.066 115.649 114.554 0.050 0.000 2.849 257 T HA -0.080 4.270 4.350 -0.000 0.000 0.270 257 T C 1.271 175.981 174.700 0.016 0.000 1.066 257 T CA 1.574 63.686 62.100 0.019 0.000 1.130 257 T CB -0.167 68.714 68.868 0.020 0.000 0.864 257 T HN 0.466 nan 8.240 nan 0.000 0.481 258 N N -0.719 117.994 118.700 0.022 0.000 2.388 258 N HA 0.249 4.989 4.740 -0.000 0.000 0.176 258 N C 1.395 176.930 175.510 0.041 0.000 1.062 258 N CA 0.271 53.331 53.050 0.017 0.000 0.895 258 N CB 0.345 38.822 38.487 -0.017 0.000 1.018 258 N HN 0.269 nan 8.380 nan 0.000 0.456 259 L N 0.071 121.325 121.223 0.052 0.000 2.547 259 L HA 0.239 4.579 4.340 -0.000 0.000 0.218 259 L C 0.331 177.239 176.870 0.062 0.000 1.048 259 L CA -0.002 54.883 54.840 0.074 0.000 0.859 259 L CB 0.366 42.481 42.059 0.094 0.000 1.128 259 L HN -0.039 nan 8.230 nan 0.000 0.483 260 V N -1.517 118.417 119.914 0.032 0.000 2.364 260 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 260 V C -1.802 174.259 176.094 -0.054 0.000 1.036 260 V CA -1.205 61.099 62.300 0.006 0.000 0.880 260 V CB 0.924 32.755 31.823 0.013 0.000 0.991 260 V HN -0.003 nan 8.190 nan 0.000 0.460 261 P HA 0.212 nan 4.420 nan 0.000 0.245 261 P C -0.397 176.547 177.300 -0.594 0.000 1.199 261 P CA 0.543 63.481 63.100 -0.269 0.000 0.807 261 P CB 0.230 31.877 31.700 -0.089 0.000 1.002 262 Y N -0.044 120.132 120.300 -0.207 0.000 2.462 262 Y HA 0.329 4.879 4.550 -0.000 0.000 0.346 262 Y C -1.348 174.561 175.900 0.015 0.000 0.976 262 Y CA -2.282 55.735 58.100 -0.139 0.000 1.044 262 Y CB 1.484 39.823 38.460 -0.202 0.000 1.230 262 Y HN -0.285 nan 8.280 nan 0.000 0.455 263 P HA -0.202 nan 4.420 nan 0.000 0.217 263 P C 0.329 177.676 177.300 0.078 0.000 1.148 263 P CA 1.258 64.399 63.100 0.067 0.000 0.828 263 P CB 0.282 32.005 31.700 0.038 0.000 0.783 264 R N 0.872 121.463 120.500 0.152 0.000 4.828 264 R HA 0.048 4.388 4.340 -0.000 0.000 0.167 264 R C 1.442 177.621 176.300 -0.203 0.000 2.071 264 R CA -0.312 55.777 56.100 -0.019 0.000 1.630 264 R CB -1.970 28.289 30.300 -0.068 0.000 1.359 264 R HN 0.318 nan 8.270 nan 0.000 0.834 265 I N 0.742 121.222 120.570 -0.151 0.000 3.152 265 I HA -0.435 3.735 4.170 -0.000 0.000 0.287 265 I C 0.107 175.856 176.117 -0.612 0.000 0.764 265 I CA 1.033 62.125 61.300 -0.347 0.000 1.605 265 I CB -0.711 37.051 38.000 -0.396 0.000 1.158 265 I HN 0.649 nan 8.210 nan 0.000 0.461 266 H N 0.357 119.186 119.070 -0.401 0.000 3.110 266 H HA -0.188 4.368 4.556 -0.000 0.000 0.289 266 H C -0.158 174.952 175.328 -0.363 0.000 0.914 266 H CA 1.508 57.431 56.048 -0.209 0.000 1.334 266 H CB -0.228 29.556 29.762 0.036 0.000 1.163 266 H HN 0.145 nan 8.280 nan 0.000 0.591 267 F N 3.791 123.913 119.950 0.287 0.000 2.332 267 F HA 0.297 4.824 4.527 -0.000 0.000 0.368 267 F C -1.933 173.945 175.800 0.129 0.000 1.110 267 F CA -2.615 55.475 58.000 0.149 0.000 1.087 267 F CB 0.986 40.138 39.000 0.254 0.000 1.235 267 F HN 0.237 nan 8.300 nan 0.000 0.470 268 P HA 0.117 nan 4.420 nan 0.000 0.277 268 P C -0.751 176.690 177.300 0.235 0.000 1.240 268 P CA -0.480 62.735 63.100 0.192 0.000 0.798 268 P CB 1.083 32.888 31.700 0.176 0.000 0.979 269 L N 2.248 123.583 121.223 0.187 0.000 2.264 269 L HA 0.598 4.938 4.340 -0.000 0.000 0.289 269 L C -0.474 176.488 176.870 0.153 0.000 1.044 269 L CA -0.498 54.420 54.840 0.129 0.000 0.807 269 L CB 0.315 42.407 42.059 0.056 0.000 1.192 269 L HN 0.391 nan 8.230 nan 0.000 0.425 270 A N 3.849 126.755 122.820 0.143 0.000 2.301 270 A HA 0.747 5.067 4.320 -0.000 0.000 0.312 270 A C -0.289 177.334 177.584 0.066 0.000 1.182 270 A CA -0.358 51.744 52.037 0.108 0.000 0.826 270 A CB 0.697 19.752 19.000 0.092 0.000 1.134 270 A HN 0.760 nan 8.150 nan 0.000 0.501 271 T N 1.906 116.483 114.554 0.039 0.000 2.906 271 T HA 0.381 4.731 4.350 -0.000 0.000 0.302 271 T C -1.050 173.673 174.700 0.037 0.000 1.002 271 T CA -0.149 61.961 62.100 0.016 0.000 0.988 271 T CB 0.450 69.279 68.868 -0.064 0.000 0.972 271 T HN 0.481 nan 8.240 nan 0.000 0.447 272 Y N 3.085 123.354 120.300 -0.051 0.000 2.304 272 Y HA 0.570 5.120 4.550 -0.000 0.000 0.328 272 Y C 1.112 176.972 175.900 -0.066 0.000 1.123 272 Y CA -0.431 57.636 58.100 -0.055 0.000 1.218 272 Y CB 0.633 39.075 38.460 -0.030 0.000 1.207 272 Y HN 0.866 nan 8.280 nan 0.000 0.495 273 A N 6.310 128.693 122.820 -0.730 0.000 2.848 273 A HA -0.002 4.318 4.320 -0.000 0.000 0.181 273 A C -1.956 175.442 177.584 -0.309 0.000 1.005 273 A CA 0.727 52.435 52.037 -0.548 0.000 1.013 273 A CB -1.855 16.760 19.000 -0.642 0.000 0.808 273 A HN 0.645 nan 8.150 nan 0.000 0.570 274 P HA 0.491 nan 4.420 nan 0.000 0.300 274 P C -1.463 175.872 177.300 0.059 0.000 1.356 274 P CA -0.278 62.778 63.100 -0.073 0.000 0.823 274 P CB 1.388 33.050 31.700 -0.064 0.000 0.934 275 V N 5.552 125.529 119.914 0.106 0.000 2.328 275 V HA 0.485 4.604 4.120 -0.000 0.000 0.278 275 V C 0.116 176.258 176.094 0.080 0.000 1.021 275 V CA -0.479 61.908 62.300 0.145 0.000 0.838 275 V CB 1.051 32.957 31.823 0.140 0.000 0.999 275 V HN 0.432 nan 8.190 nan 0.000 0.447 276 I N 4.524 125.139 120.570 0.076 0.000 2.571 276 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 276 I C 0.394 176.549 176.117 0.063 0.000 1.115 276 I CA -0.016 61.321 61.300 0.061 0.000 1.045 276 I CB 2.486 40.521 38.000 0.058 0.000 1.238 276 I HN 0.707 nan 8.210 nan 0.000 0.424 277 S N 6.101 121.834 115.700 0.056 0.000 2.552 277 S HA 0.619 5.089 4.470 -0.000 0.000 0.289 277 S C 0.528 175.166 174.600 0.062 0.000 1.304 277 S CA -0.342 57.888 58.200 0.050 0.000 1.063 277 S CB 0.683 63.907 63.200 0.039 0.000 0.848 277 S HN 0.978 nan 8.310 nan 0.000 0.499 278 A N 1.909 124.760 122.820 0.052 0.000 2.448 278 A HA 0.447 4.767 4.320 -0.000 0.000 0.239 278 A C 1.292 178.906 177.584 0.051 0.000 1.080 278 A CA 0.395 52.466 52.037 0.058 0.000 0.779 278 A CB -0.275 18.754 19.000 0.050 0.000 1.026 278 A HN 1.525 nan 8.150 nan 0.000 0.499 279 E N -0.446 119.784 120.200 0.050 0.000 4.151 279 E HA -0.212 4.138 4.350 -0.000 0.000 0.157 279 E C 0.485 177.090 176.600 0.008 0.000 0.800 279 E CA 1.518 57.930 56.400 0.019 0.000 2.740 279 E CB -1.616 28.094 29.700 0.017 0.000 1.477 279 E HN 0.703 nan 8.360 nan 0.000 0.665 280 K N 1.051 121.491 120.400 0.067 0.000 2.404 280 K HA 0.361 4.681 4.320 -0.000 0.000 0.194 280 K C 1.979 178.666 176.600 0.146 0.000 1.023 280 K CA 0.571 56.954 56.287 0.160 0.000 1.094 280 K CB 0.223 32.890 32.500 0.278 0.000 0.841 280 K HN 0.362 nan 8.250 nan 0.000 0.523 281 A N 0.856 123.739 122.820 0.104 0.000 1.870 281 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 281 A C 1.338 178.987 177.584 0.108 0.000 1.224 281 A CA 1.549 53.653 52.037 0.112 0.000 0.650 281 A CB -0.907 18.175 19.000 0.137 0.000 0.836 281 A HN 0.362 nan 8.150 nan 0.000 0.454 282 Y N 0.407 120.672 120.300 -0.059 0.000 2.497 282 Y HA 0.083 4.633 4.550 -0.000 0.000 0.345 282 Y C 1.520 177.388 175.900 -0.053 0.000 1.204 282 Y CA 0.163 58.229 58.100 -0.056 0.000 1.265 282 Y CB -0.954 37.457 38.460 -0.081 0.000 1.121 282 Y HN 0.550 nan 8.280 nan 0.000 0.493 283 H N -0.489 118.642 119.070 0.101 0.000 2.392 283 H HA 0.087 4.643 4.556 -0.000 0.000 0.203 283 H C 0.112 175.459 175.328 0.031 0.000 1.536 283 H CA 0.028 56.113 56.048 0.062 0.000 1.477 283 H CB 0.383 30.172 29.762 0.044 0.000 1.671 283 H HN 0.039 nan 8.280 nan 0.000 0.681 284 E N 0.137 120.452 120.200 0.193 0.000 2.183 284 E HA 0.303 4.653 4.350 -0.000 0.000 0.271 284 E C -0.683 175.942 176.600 0.041 0.000 0.919 284 E CA -0.454 55.993 56.400 0.078 0.000 0.781 284 E CB 1.699 31.427 29.700 0.045 0.000 1.140 284 E HN 0.536 nan 8.360 nan 0.000 0.402 285 Q N 2.623 122.434 119.800 0.018 0.000 2.274 285 Q HA 0.188 4.528 4.340 -0.000 0.000 0.280 285 Q C -0.360 175.641 176.000 0.001 0.000 1.047 285 Q CA 0.091 55.896 55.803 0.003 0.000 0.907 285 Q CB -0.163 28.570 28.738 -0.008 0.000 1.171 285 Q HN 0.459 nan 8.270 nan 0.000 0.381 286 L N 2.711 123.933 121.223 -0.002 0.000 2.367 286 L HA 0.236 4.576 4.340 -0.000 0.000 0.275 286 L C 0.839 177.707 176.870 -0.002 0.000 1.129 286 L CA 0.123 54.959 54.840 -0.006 0.000 0.839 286 L CB 1.359 43.411 42.059 -0.012 0.000 1.133 286 L HN 0.842 nan 8.230 nan 0.000 0.453 287 S N 1.806 117.506 115.700 -0.001 0.000 2.568 287 S HA 0.077 4.547 4.470 -0.000 0.000 0.282 287 S C 1.523 176.134 174.600 0.017 0.000 1.338 287 S CA -0.845 57.357 58.200 0.004 0.000 1.045 287 S CB 0.854 64.055 63.200 0.002 0.000 0.873 287 S HN 0.400 nan 8.310 nan 0.000 0.516 288 V N 1.356 121.285 119.914 0.025 0.000 2.392 288 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 288 V C 2.634 178.772 176.094 0.074 0.000 1.059 288 V CA 2.005 64.340 62.300 0.059 0.000 1.051 288 V CB -1.949 29.890 31.823 0.027 0.000 0.658 288 V HN 1.008 nan 8.190 nan 0.000 0.455 289 A N -0.442 122.400 122.820 0.037 0.000 1.929 289 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 289 A C 2.276 179.883 177.584 0.038 0.000 1.176 289 A CA 1.559 53.617 52.037 0.035 0.000 0.628 289 A CB -0.394 18.614 19.000 0.012 0.000 0.816 289 A HN 0.578 nan 8.150 nan 0.000 0.444 290 E N -0.086 120.129 120.200 0.025 0.000 2.072 290 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 290 E C 1.998 178.603 176.600 0.009 0.000 0.985 290 E CA 1.471 57.881 56.400 0.016 0.000 0.801 290 E CB -0.310 29.393 29.700 0.004 0.000 0.750 290 E HN 0.858 nan 8.360 nan 0.000 0.452 291 I N -0.839 119.730 120.570 -0.002 0.000 2.394 291 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 291 I C 2.160 178.241 176.117 -0.061 0.000 1.136 291 I CA 1.027 62.298 61.300 -0.048 0.000 1.425 291 I CB -0.669 37.282 38.000 -0.081 0.000 1.079 291 I HN -0.114 nan 8.210 nan 0.000 0.425 292 T N 1.212 115.769 114.554 0.005 0.000 2.708 292 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 292 T C 1.832 176.590 174.700 0.097 0.000 1.037 292 T CA 1.691 63.813 62.100 0.037 0.000 1.146 292 T CB -0.473 68.481 68.868 0.143 0.000 0.865 292 T HN 0.329 nan 8.240 nan 0.000 0.435 293 N N 1.316 120.075 118.700 0.097 0.000 2.272 293 N HA 0.003 4.743 4.740 -0.000 0.000 0.185 293 N C 1.666 177.235 175.510 0.098 0.000 1.014 293 N CA 1.021 54.143 53.050 0.121 0.000 0.870 293 N CB -0.285 38.242 38.487 0.068 0.000 0.975 293 N HN 0.455 nan 8.380 nan 0.000 0.433 294 A N -1.272 121.565 122.820 0.029 0.000 2.218 294 A HA 0.049 4.369 4.320 -0.000 0.000 0.209 294 A C 2.280 179.837 177.584 -0.046 0.000 1.168 294 A CA 0.114 52.150 52.037 -0.001 0.000 0.804 294 A CB -0.421 18.563 19.000 -0.028 0.000 0.834 294 A HN 0.385 nan 8.150 nan 0.000 0.482 295 C N -1.784 117.452 119.300 -0.107 0.000 2.533 295 C HA 0.248 4.708 4.460 -0.000 0.000 0.272 295 C C 0.589 175.316 174.990 -0.437 0.000 1.371 295 C CA 0.125 58.959 59.018 -0.307 0.000 1.758 295 C CB -1.275 26.176 27.740 -0.481 0.000 1.972 295 C HN 0.569 nan 8.230 nan 0.000 0.522 296 F N 1.335 121.305 119.950 0.033 0.000 2.550 296 F HA 0.391 4.918 4.527 -0.000 0.000 0.312 296 F C 0.118 175.950 175.800 0.053 0.000 1.256 296 F CA -0.065 57.971 58.000 0.061 0.000 1.182 296 F CB 0.101 39.131 39.000 0.049 0.000 1.383 296 F HN 0.042 nan 8.300 nan 0.000 0.541 297 E N 2.288 122.564 120.200 0.128 0.000 2.313 297 E HA 0.313 4.663 4.350 -0.000 0.000 0.280 297 E C -2.249 174.389 176.600 0.063 0.000 0.898 297 E CA -2.236 54.219 56.400 0.093 0.000 0.803 297 E CB 1.775 31.511 29.700 0.061 0.000 1.286 297 E HN -0.066 nan 8.360 nan 0.000 0.401 298 P HA -0.185 nan 4.420 nan 0.000 0.216 298 P C 0.898 178.215 177.300 0.028 0.000 1.150 298 P CA 1.503 64.628 63.100 0.043 0.000 0.837 298 P CB 0.138 31.861 31.700 0.038 0.000 0.786 299 A N -0.683 122.155 122.820 0.030 0.000 2.225 299 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 299 A C 1.826 179.426 177.584 0.027 0.000 1.164 299 A CA 1.169 53.221 52.037 0.026 0.000 0.710 299 A CB -1.002 18.013 19.000 0.025 0.000 0.780 299 A HN 0.163 nan 8.150 nan 0.000 0.473 300 N N -0.724 117.992 118.700 0.026 0.000 2.238 300 N HA 0.124 4.864 4.740 -0.000 0.000 0.235 300 N C 0.333 175.860 175.510 0.028 0.000 1.209 300 N CA 0.010 53.077 53.050 0.028 0.000 0.879 300 N CB 0.406 38.902 38.487 0.015 0.000 1.136 300 N HN 0.637 nan 8.380 nan 0.000 0.517 301 Q N -0.496 119.317 119.800 0.022 0.000 2.319 301 Q HA 0.301 4.641 4.340 -0.000 0.000 0.173 301 Q C 1.055 177.070 176.000 0.026 0.000 1.112 301 Q CA 0.205 56.018 55.803 0.017 0.000 1.144 301 Q CB 0.821 29.559 28.738 0.001 0.000 1.765 301 Q HN 0.093 nan 8.270 nan 0.000 0.594 302 M N -0.322 119.286 119.600 0.013 0.000 2.193 302 M HA 0.232 4.712 4.480 -0.000 0.000 0.365 302 M C -1.166 175.121 176.300 -0.020 0.000 0.877 302 M CA 0.274 55.587 55.300 0.021 0.000 1.077 302 M CB 1.757 34.385 32.600 0.047 0.000 1.967 302 M HN 0.172 nan 8.290 nan 0.000 0.668 303 V N 1.186 121.058 119.914 -0.069 0.000 2.532 303 V HA 0.283 4.403 4.120 -0.000 0.000 0.294 303 V C -0.477 175.523 176.094 -0.156 0.000 1.036 303 V CA -1.059 61.136 62.300 -0.174 0.000 0.876 303 V CB 1.956 33.617 31.823 -0.270 0.000 1.012 303 V HN 0.114 nan 8.190 nan 0.000 0.432 304 K N 4.166 124.483 120.400 -0.140 0.000 2.436 304 K HA 0.458 4.778 4.320 -0.000 0.000 0.282 304 K C -0.048 176.471 176.600 -0.135 0.000 1.044 304 K CA 0.659 56.887 56.287 -0.097 0.000 1.028 304 K CB -0.119 32.348 32.500 -0.055 0.000 0.919 304 K HN 1.081 nan 8.250 nan 0.000 0.474 305 C N 0.526 119.765 119.300 -0.101 0.000 3.232 305 C HA 0.525 4.985 4.460 -0.000 0.000 0.315 305 C C -2.110 172.842 174.990 -0.063 0.000 1.401 305 C CA -0.770 58.186 59.018 -0.104 0.000 1.142 305 C CB 0.583 28.236 27.740 -0.146 0.000 1.559 305 C HN 0.906 nan 8.230 nan 0.000 0.408 306 D N 0.123 120.494 120.400 -0.048 0.000 2.804 306 D HA 0.382 5.022 4.640 -0.000 0.000 0.209 306 D C -2.835 173.482 176.300 0.028 0.000 1.314 306 D CA -0.753 53.245 54.000 -0.004 0.000 0.894 306 D CB 2.090 42.893 40.800 0.005 0.000 1.615 306 D HN 0.319 nan 8.370 nan 0.000 0.571 307 P HA 0.128 nan 4.420 nan 0.000 0.249 307 P C 1.220 178.538 177.300 0.030 0.000 1.229 307 P CA 0.410 63.471 63.100 -0.064 0.000 0.788 307 P CB 0.144 31.715 31.700 -0.214 0.000 1.072 308 R N -0.469 120.090 120.500 0.098 0.000 2.316 308 R HA -0.117 4.223 4.340 -0.000 0.000 0.202 308 R C 1.929 178.291 176.300 0.104 0.000 1.029 308 R CA 1.283 57.449 56.100 0.110 0.000 1.018 308 R CB -2.053 28.307 30.300 0.101 0.000 0.888 308 R HN 0.451 nan 8.270 nan 0.000 0.471 309 H N -0.898 118.166 119.070 -0.011 0.000 2.316 309 H HA 0.172 4.728 4.556 -0.000 0.000 0.314 309 H C 1.509 176.816 175.328 -0.034 0.000 1.057 309 H CA 0.920 56.956 56.048 -0.021 0.000 1.402 309 H CB -0.013 29.731 29.762 -0.030 0.000 1.443 309 H HN 0.431 nan 8.280 nan 0.000 0.559 310 G N 0.889 109.537 108.800 -0.254 0.000 2.514 310 G HA2 0.281 4.241 3.960 -0.000 0.000 0.245 310 G HA3 0.281 4.241 3.960 -0.000 0.000 0.245 310 G C -0.529 174.244 174.900 -0.211 0.000 1.488 310 G CA -0.395 44.531 45.100 -0.290 0.000 1.063 310 G HN 0.323 nan 8.290 nan 0.000 0.557 311 K N -1.412 118.857 120.400 -0.219 0.000 2.433 311 K HA 0.401 4.721 4.320 -0.000 0.000 0.252 311 K C -1.848 174.536 176.600 -0.360 0.000 1.015 311 K CA -0.719 55.441 56.287 -0.213 0.000 0.860 311 K CB 1.988 34.394 32.500 -0.156 0.000 1.359 311 K HN 0.440 nan 8.250 nan 0.000 0.452 312 Y N 0.778 120.822 120.300 -0.427 0.000 2.360 312 Y HA 0.271 4.821 4.550 -0.000 0.000 0.337 312 Y C 0.741 176.167 175.900 -0.789 0.000 1.039 312 Y CA -0.673 57.028 58.100 -0.666 0.000 1.109 312 Y CB 1.565 39.345 38.460 -1.134 0.000 1.201 312 Y HN 0.466 nan 8.280 nan 0.000 0.458 313 M N 1.729 121.152 119.600 -0.295 0.000 2.809 313 M HA 0.796 5.276 4.480 -0.000 0.000 0.388 313 M C -0.609 175.760 176.300 0.114 0.000 1.248 313 M CA -0.342 54.879 55.300 -0.132 0.000 0.885 313 M CB 0.947 33.498 32.600 -0.083 0.000 1.386 313 M HN 0.430 nan 8.290 nan 0.000 0.509 314 A N 0.000 122.902 122.820 0.137 0.000 0.909 314 A HA 0.393 4.713 4.320 -0.000 0.000 0.189 314 A C -1.192 176.488 177.584 0.159 0.000 0.906 314 A CA -0.998 51.171 52.037 0.220 0.000 0.541 314 A CB -0.582 18.513 19.000 0.158 0.000 0.393 314 A HN 0.423 nan 8.150 nan 0.000 0.323 315 C N 1.421 120.810 119.300 0.148 0.000 2.391 315 C HA 0.876 5.336 4.460 -0.000 0.000 0.339 315 C C 0.374 175.413 174.990 0.082 0.000 1.205 315 C CA -0.179 58.864 59.018 0.041 0.000 1.937 315 C CB 1.002 28.595 27.740 -0.246 0.000 2.341 315 C HN 1.095 nan 8.230 nan 0.000 0.516 316 C N 4.195 123.593 119.300 0.164 0.000 2.535 316 C HA 0.650 5.110 4.460 -0.000 0.000 0.319 316 C C -0.958 174.143 174.990 0.184 0.000 1.171 316 C CA -0.565 58.554 59.018 0.169 0.000 1.394 316 C CB 0.393 28.194 27.740 0.102 0.000 1.990 316 C HN 0.829 nan 8.230 nan 0.000 0.466 317 L N 5.169 126.519 121.223 0.211 0.000 2.325 317 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 317 L C -1.089 175.847 176.870 0.111 0.000 1.004 317 L CA -0.524 54.400 54.840 0.138 0.000 0.823 317 L CB 1.457 43.679 42.059 0.271 0.000 1.236 317 L HN 0.477 nan 8.230 nan 0.000 0.415 318 L N 4.633 125.845 121.223 -0.019 0.000 2.324 318 L HA 0.417 4.757 4.340 -0.000 0.000 0.274 318 L C -0.591 176.246 176.870 -0.056 0.000 1.012 318 L CA -0.044 54.810 54.840 0.023 0.000 0.859 318 L CB 0.779 42.849 42.059 0.019 0.000 1.224 318 L HN 0.284 nan 8.230 nan 0.000 0.429 319 Y N 2.435 122.722 120.300 -0.020 0.000 2.354 319 Y HA 0.676 5.226 4.550 -0.000 0.000 0.322 319 Y C 0.453 176.332 175.900 -0.035 0.000 1.253 319 Y CA -0.567 57.513 58.100 -0.034 0.000 1.272 319 Y CB 1.167 39.613 38.460 -0.024 0.000 1.255 319 Y HN 0.360 nan 8.280 nan 0.000 0.500 320 R N 0.431 121.004 120.500 0.122 0.000 2.522 320 R HA 0.535 4.875 4.340 -0.000 0.000 0.283 320 R C -0.369 175.962 176.300 0.051 0.000 1.074 320 R CA -0.012 56.117 56.100 0.047 0.000 0.925 320 R CB 1.905 32.214 30.300 0.015 0.000 1.205 320 R HN 0.955 nan 8.270 nan 0.000 0.436 321 G N 2.173 111.001 108.800 0.048 0.000 2.384 321 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.200 321 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.200 321 G C -1.385 173.562 174.900 0.077 0.000 1.205 321 G CA -0.601 44.525 45.100 0.044 0.000 1.116 321 G HN 0.531 nan 8.290 nan 0.000 0.547 322 D N 0.844 121.263 120.400 0.032 0.000 2.383 322 D HA 0.498 5.138 4.640 -0.000 0.000 0.245 322 D C -0.133 176.174 176.300 0.012 0.000 1.263 322 D CA 0.440 54.442 54.000 0.005 0.000 0.936 322 D CB 0.496 41.283 40.800 -0.022 0.000 1.053 322 D HN 0.742 nan 8.370 nan 0.000 0.507 323 V N 3.897 123.825 119.914 0.023 0.000 2.737 323 V HA 0.220 4.340 4.120 -0.000 0.000 0.298 323 V C -0.166 175.914 176.094 -0.025 0.000 1.163 323 V CA -0.964 61.328 62.300 -0.013 0.000 0.925 323 V CB 2.033 33.838 31.823 -0.031 0.000 1.037 323 V HN 0.147 nan 8.190 nan 0.000 0.433 324 V N 6.391 126.265 119.914 -0.067 0.000 2.532 324 V HA 0.332 4.452 4.120 -0.000 0.000 0.295 324 V C -1.440 174.595 176.094 -0.098 0.000 1.041 324 V CA -1.535 60.728 62.300 -0.062 0.000 0.926 324 V CB 1.979 33.763 31.823 -0.066 0.000 0.992 324 V HN 0.707 nan 8.190 nan 0.000 0.457 325 P HA -0.173 nan 4.420 nan 0.000 0.216 325 P C 1.696 178.934 177.300 -0.102 0.000 1.150 325 P CA 1.042 64.077 63.100 -0.109 0.000 0.837 325 P CB 0.144 31.808 31.700 -0.060 0.000 0.786 326 K N 0.016 120.372 120.400 -0.074 0.000 2.107 326 K HA -0.254 4.066 4.320 -0.000 0.000 0.211 326 K C 1.236 177.793 176.600 -0.072 0.000 1.049 326 K CA 2.225 58.474 56.287 -0.063 0.000 0.927 326 K CB -0.493 31.976 32.500 -0.051 0.000 0.714 326 K HN 0.159 nan 8.250 nan 0.000 0.452 327 D N 0.044 120.392 120.400 -0.087 0.000 2.149 327 D HA -0.096 4.544 4.640 -0.000 0.000 0.206 327 D C 2.098 178.336 176.300 -0.104 0.000 0.967 327 D CA 0.743 54.694 54.000 -0.082 0.000 0.848 327 D CB -0.444 40.311 40.800 -0.074 0.000 0.998 327 D HN 0.039 nan 8.370 nan 0.000 0.474 328 V N 2.023 121.831 119.914 -0.177 0.000 2.439 328 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 328 V C 2.092 178.105 176.094 -0.135 0.000 1.074 328 V CA 1.628 63.787 62.300 -0.236 0.000 1.076 328 V CB -0.650 30.907 31.823 -0.443 0.000 0.664 328 V HN 0.245 nan 8.190 nan 0.000 0.461 329 N N -0.128 118.503 118.700 -0.114 0.000 2.092 329 N HA -0.110 4.630 4.740 -0.000 0.000 0.189 329 N C 1.919 177.379 175.510 -0.082 0.000 1.040 329 N CA 1.223 54.218 53.050 -0.093 0.000 0.845 329 N CB -0.233 38.210 38.487 -0.074 0.000 1.017 329 N HN 0.466 nan 8.380 nan 0.000 0.426 330 A N 0.935 123.715 122.820 -0.067 0.000 2.125 330 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 330 A C 2.138 179.692 177.584 -0.050 0.000 1.156 330 A CA 1.574 53.579 52.037 -0.054 0.000 0.671 330 A CB -0.448 18.526 19.000 -0.044 0.000 0.794 330 A HN 0.419 nan 8.150 nan 0.000 0.459 331 A N -0.352 122.440 122.820 -0.047 0.000 1.930 331 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 331 A C 2.040 179.595 177.584 -0.048 0.000 1.176 331 A CA 1.134 53.157 52.037 -0.024 0.000 0.632 331 A CB -0.400 18.609 19.000 0.015 0.000 0.819 331 A HN 0.440 nan 8.150 nan 0.000 0.445 332 I N -0.174 120.339 120.570 -0.095 0.000 2.202 332 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 332 I C 2.982 179.001 176.117 -0.164 0.000 1.091 332 I CA 0.967 62.153 61.300 -0.191 0.000 1.368 332 I CB -0.254 37.570 38.000 -0.294 0.000 1.058 332 I HN 0.353 nan 8.210 nan 0.000 0.410 333 A N 0.774 123.525 122.820 -0.116 0.000 1.869 333 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 333 A C 2.393 179.929 177.584 -0.079 0.000 1.203 333 A CA 3.053 55.038 52.037 -0.088 0.000 0.638 333 A CB -1.497 17.464 19.000 -0.064 0.000 0.831 333 A HN 0.525 nan 8.150 nan 0.000 0.450 334 T N -2.322 112.193 114.554 -0.065 0.000 2.995 334 T HA 0.086 4.436 4.350 -0.000 0.000 0.269 334 T C 1.769 176.430 174.700 -0.064 0.000 1.091 334 T CA 1.401 63.470 62.100 -0.052 0.000 1.128 334 T CB -0.910 67.938 68.868 -0.034 0.000 0.891 334 T HN 0.873 nan 8.240 nan 0.000 0.492 335 I N 0.946 121.463 120.570 -0.089 0.000 3.001 335 I HA 0.493 4.663 4.170 -0.000 0.000 0.268 335 I C 2.755 178.749 176.117 -0.205 0.000 1.267 335 I CA 1.565 62.787 61.300 -0.130 0.000 1.472 335 I CB -2.022 35.903 38.000 -0.126 0.000 1.089 335 I HN 0.697 nan 8.210 nan 0.000 0.468 336 K N -0.521 119.785 120.400 -0.157 0.000 2.214 336 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 336 K C 2.145 178.695 176.600 -0.083 0.000 1.049 336 K CA 1.295 57.503 56.287 -0.131 0.000 0.978 336 K CB -1.490 30.952 32.500 -0.097 0.000 0.842 336 K HN 0.569 nan 8.250 nan 0.000 0.474 337 T N 0.801 115.316 114.554 -0.065 0.000 2.620 337 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 337 T C 1.704 176.384 174.700 -0.033 0.000 1.044 337 T CA 2.419 64.494 62.100 -0.042 0.000 1.161 337 T CB -0.323 68.524 68.868 -0.036 0.000 0.862 337 T HN 0.659 nan 8.240 nan 0.000 0.438 338 K N 1.144 121.524 120.400 -0.034 0.000 2.961 338 K HA 0.741 5.061 4.320 -0.000 0.000 0.187 338 K C -0.132 176.452 176.600 -0.026 0.000 1.110 338 K CA -0.131 56.143 56.287 -0.022 0.000 0.968 338 K CB 0.028 32.520 32.500 -0.013 0.000 1.287 338 K HN 0.721 nan 8.250 nan 0.000 0.578 339 R N -0.891 119.586 120.500 -0.038 0.000 2.766 339 R HA 0.806 5.146 4.340 -0.000 0.000 0.270 339 R C -0.345 175.936 176.300 -0.032 0.000 1.035 339 R CA -0.011 56.062 56.100 -0.044 0.000 0.911 339 R CB 0.109 30.343 30.300 -0.109 0.000 1.243 339 R HN 0.243 nan 8.270 nan 0.000 0.460 340 T N 2.754 117.300 114.554 -0.013 0.000 3.316 340 T HA 0.232 4.582 4.350 -0.000 0.000 0.341 340 T C 1.721 176.431 174.700 0.016 0.000 1.397 340 T CA 0.226 62.341 62.100 0.025 0.000 1.085 340 T CB -0.901 68.008 68.868 0.069 0.000 1.160 340 T HN 0.561 nan 8.240 nan 0.000 0.694 341 I N 1.459 122.024 120.570 -0.008 0.000 2.076 341 I HA -0.121 4.049 4.170 -0.000 0.000 0.237 341 I C 1.382 177.553 176.117 0.091 0.000 1.059 341 I CA 1.560 62.864 61.300 0.007 0.000 1.317 341 I CB -1.583 36.437 38.000 0.034 0.000 1.037 341 I HN 0.564 nan 8.210 nan 0.000 0.398 342 Q N 0.806 120.667 119.800 0.101 0.000 2.413 342 Q HA -0.236 4.104 4.340 -0.000 0.000 0.364 342 Q C -0.399 175.668 176.000 0.112 0.000 1.359 342 Q CA 1.507 57.371 55.803 0.101 0.000 1.097 342 Q CB -3.107 25.678 28.738 0.078 0.000 1.286 342 Q HN 0.645 nan 8.270 nan 0.000 0.358 343 F N -0.798 119.155 119.950 0.006 0.000 2.370 343 F HA 0.576 5.103 4.527 -0.000 0.000 0.324 343 F C 1.082 176.805 175.800 -0.129 0.000 1.116 343 F CA -0.319 57.657 58.000 -0.040 0.000 1.123 343 F CB 1.816 40.758 39.000 -0.096 0.000 1.238 343 F HN 0.313 nan 8.300 nan 0.000 0.536 344 V N 4.940 124.829 119.914 -0.042 0.000 2.368 344 V HA 0.072 4.192 4.120 -0.000 0.000 0.266 344 V C 0.674 176.485 176.094 -0.471 0.000 1.045 344 V CA -0.113 62.007 62.300 -0.300 0.000 0.899 344 V CB 0.534 32.069 31.823 -0.479 0.000 1.006 344 V HN 0.951 nan 8.190 nan 0.000 0.470 345 D N 4.769 125.008 120.400 -0.268 0.000 3.266 345 D HA -0.283 4.357 4.640 -0.000 0.000 0.514 345 D C 0.908 177.147 176.300 -0.102 0.000 1.004 345 D CA 3.097 56.995 54.000 -0.170 0.000 1.516 345 D CB -0.290 40.456 40.800 -0.091 0.000 0.400 345 D HN 0.837 nan 8.370 nan 0.000 0.597 346 W N 0.440 121.786 121.300 0.077 0.000 3.151 346 W HA 0.506 5.166 4.660 -0.000 0.000 0.424 346 W C -0.243 176.316 176.519 0.067 0.000 1.012 346 W CA -0.794 56.589 57.345 0.062 0.000 2.018 346 W CB -0.811 28.687 29.460 0.064 0.000 1.087 346 W HN 0.055 nan 8.180 nan 0.000 0.740 347 C N 3.649 122.952 119.300 0.004 0.000 2.505 347 C HA 0.334 4.794 4.460 -0.000 0.000 0.342 347 C C -0.751 174.204 174.990 -0.058 0.000 1.121 347 C CA -1.535 57.528 59.018 0.075 0.000 1.306 347 C CB 0.632 28.295 27.740 -0.129 0.000 1.897 347 C HN 0.053 nan 8.230 nan 0.000 0.446 348 P HA -0.157 nan 4.420 nan 0.000 0.247 348 P C 0.186 177.180 177.300 -0.511 0.000 0.823 348 P CA 2.648 65.626 63.100 -0.203 0.000 1.117 348 P CB -0.038 31.573 31.700 -0.149 0.000 0.754 349 T N -5.224 108.872 114.554 -0.764 0.000 5.182 349 T HA 0.358 4.708 4.350 -0.000 0.000 0.187 349 T C 0.788 174.989 174.700 -0.833 0.000 0.850 349 T CA -0.152 61.145 62.100 -1.339 0.000 0.874 349 T CB -0.637 67.830 68.868 -0.668 0.000 0.685 349 T HN 0.505 nan 8.240 nan 0.000 0.370 350 G N 2.167 110.593 108.800 -0.624 0.000 3.809 350 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.276 350 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.276 350 G C 0.447 175.281 174.900 -0.110 0.000 0.867 350 G CA 1.322 46.275 45.100 -0.244 0.000 0.724 350 G HN 1.076 nan 8.290 nan 0.000 1.380 351 F N -0.577 119.423 119.950 0.084 0.000 2.905 351 F HA -0.140 4.387 4.527 -0.000 0.000 0.311 351 F C 0.692 176.527 175.800 0.058 0.000 1.005 351 F CA 0.454 58.504 58.000 0.083 0.000 1.029 351 F CB -1.100 37.935 39.000 0.058 0.000 1.151 351 F HN 0.124 nan 8.300 nan 0.000 0.805 352 K N 1.619 122.135 120.400 0.194 0.000 2.315 352 K HA 0.403 4.722 4.320 -0.000 0.000 0.291 352 K C 0.085 176.775 176.600 0.151 0.000 1.074 352 K CA -0.222 56.140 56.287 0.124 0.000 0.936 352 K CB 1.258 33.798 32.500 0.068 0.000 1.049 352 K HN 0.072 nan 8.250 nan 0.000 0.471 353 V N 1.796 121.796 119.914 0.142 0.000 2.509 353 V HA 0.463 4.583 4.120 -0.000 0.000 0.284 353 V C 0.749 176.903 176.094 0.099 0.000 1.047 353 V CA -0.725 61.668 62.300 0.154 0.000 0.952 353 V CB 1.632 33.524 31.823 0.116 0.000 0.988 353 V HN 0.861 nan 8.190 nan 0.000 0.469 354 G N 4.376 113.251 108.800 0.125 0.000 2.643 354 G HA2 0.749 4.709 3.960 -0.000 0.000 0.305 354 G HA3 0.749 4.709 3.960 -0.000 0.000 0.305 354 G C -1.262 173.686 174.900 0.080 0.000 1.387 354 G CA -0.525 44.612 45.100 0.062 0.000 0.982 354 G HN 0.594 nan 8.290 nan 0.000 0.501 355 I N 0.814 121.372 120.570 -0.020 0.000 2.474 355 I HA 0.394 4.564 4.170 -0.000 0.000 0.294 355 I C -0.223 175.757 176.117 -0.228 0.000 1.005 355 I CA -0.769 60.504 61.300 -0.045 0.000 1.113 355 I CB 2.583 40.558 38.000 -0.042 0.000 1.289 355 I HN 0.409 nan 8.210 nan 0.000 0.436 356 N N 3.795 122.398 118.700 -0.162 0.000 2.804 356 N HA 0.325 5.065 4.740 -0.000 0.000 0.251 356 N C 0.496 175.900 175.510 -0.176 0.000 1.250 356 N CA -0.426 52.474 53.050 -0.251 0.000 0.820 356 N CB 0.403 38.809 38.487 -0.135 0.000 1.156 356 N HN 0.572 nan 8.380 nan 0.000 0.512 357 Y N 0.249 120.503 120.300 -0.077 0.000 2.205 357 Y HA -0.365 4.185 4.550 -0.000 0.000 0.277 357 Y C 1.198 177.015 175.900 -0.138 0.000 1.251 357 Y CA 0.622 58.669 58.100 -0.088 0.000 1.154 357 Y CB -0.181 38.237 38.460 -0.070 0.000 0.949 357 Y HN 0.538 nan 8.280 nan 0.000 0.524 358 E N 2.885 123.021 120.200 -0.106 0.000 2.383 358 E HA 0.074 4.424 4.350 -0.000 0.000 0.257 358 E C -2.611 173.864 176.600 -0.208 0.000 1.079 358 E CA -1.718 54.522 56.400 -0.266 0.000 0.934 358 E CB 0.482 29.768 29.700 -0.690 0.000 0.978 358 E HN 0.044 nan 8.360 nan 0.000 0.462 359 P HA 0.084 nan 4.420 nan 0.000 0.269 359 P C -2.502 174.758 177.300 -0.066 0.000 1.215 359 P CA -1.147 61.911 63.100 -0.069 0.000 0.780 359 P CB 0.177 31.848 31.700 -0.049 0.000 0.898 360 P HA 0.090 nan 4.420 nan 0.000 0.277 360 P C -0.343 176.968 177.300 0.017 0.000 1.354 360 P CA -0.057 63.054 63.100 0.017 0.000 0.891 360 P CB -0.378 31.361 31.700 0.065 0.000 1.058 361 T N 0.529 115.088 114.554 0.008 0.000 2.889 361 T HA 0.523 4.873 4.350 -0.000 0.000 0.291 361 T C 0.306 175.020 174.700 0.024 0.000 0.995 361 T CA -0.684 61.422 62.100 0.010 0.000 1.092 361 T CB 1.113 69.982 68.868 0.002 0.000 0.954 361 T HN 0.238 nan 8.240 nan 0.000 0.506 362 V N 0.925 120.853 119.914 0.024 0.000 3.001 362 V HA 0.769 4.889 4.120 -0.000 0.000 0.314 362 V C -0.018 176.092 176.094 0.027 0.000 1.099 362 V CA -1.309 61.005 62.300 0.023 0.000 0.989 362 V CB 1.680 33.519 31.823 0.026 0.000 1.040 362 V HN 0.989 nan 8.190 nan 0.000 0.434 363 V N 2.344 122.273 119.914 0.025 0.000 2.928 363 V HA 0.172 4.292 4.120 -0.000 0.000 0.307 363 V C -1.223 174.892 176.094 0.035 0.000 1.105 363 V CA -0.168 62.154 62.300 0.037 0.000 1.223 363 V CB -0.065 31.779 31.823 0.035 0.000 0.930 363 V HN 0.940 nan 8.190 nan 0.000 0.499 364 P HA 0.033 nan 4.420 nan 0.000 0.214 364 P C 1.356 178.674 177.300 0.030 0.000 1.162 364 P CA 1.524 64.645 63.100 0.034 0.000 0.874 364 P CB 0.054 31.775 31.700 0.036 0.000 0.784 365 G N -0.788 108.028 108.800 0.027 0.000 3.088 365 G HA2 0.234 4.194 3.960 -0.000 0.000 0.212 365 G HA3 0.234 4.194 3.960 -0.000 0.000 0.212 365 G C 0.848 175.760 174.900 0.020 0.000 1.173 365 G CA 0.156 45.268 45.100 0.021 0.000 0.779 365 G HN 0.413 nan 8.290 nan 0.000 0.540 366 G N 0.383 109.197 108.800 0.023 0.000 2.744 366 G HA2 0.244 4.204 3.960 -0.000 0.000 0.257 366 G HA3 0.244 4.204 3.960 -0.000 0.000 0.257 366 G C 0.278 175.189 174.900 0.018 0.000 1.244 366 G CA 0.249 45.360 45.100 0.019 0.000 0.916 366 G HN 0.257 nan 8.290 nan 0.000 0.564 367 D N -1.364 119.045 120.400 0.015 0.000 2.389 367 D HA 0.153 4.793 4.640 -0.000 0.000 0.206 367 D C 0.376 176.690 176.300 0.023 0.000 1.055 367 D CA -0.078 53.931 54.000 0.015 0.000 0.856 367 D CB 0.155 40.959 40.800 0.007 0.000 0.957 367 D HN 0.225 nan 8.370 nan 0.000 0.509 368 L N 0.043 121.281 121.223 0.025 0.000 2.344 368 L HA 0.777 5.117 4.340 -0.000 0.000 0.272 368 L C 0.174 177.069 176.870 0.042 0.000 1.035 368 L CA -1.478 53.384 54.840 0.037 0.000 0.807 368 L CB 1.019 43.101 42.059 0.038 0.000 1.237 368 L HN -0.167 nan 8.230 nan 0.000 0.442 369 A N 1.046 123.897 122.820 0.051 0.000 2.256 369 A HA 0.701 5.021 4.320 -0.000 0.000 0.318 369 A C -0.279 177.328 177.584 0.038 0.000 1.103 369 A CA -0.779 51.286 52.037 0.046 0.000 0.860 369 A CB 0.469 19.501 19.000 0.053 0.000 1.182 369 A HN 0.820 nan 8.150 nan 0.000 0.501 370 K N -0.361 120.052 120.400 0.021 0.000 2.436 370 K HA 0.410 4.730 4.320 -0.000 0.000 0.275 370 K C -0.575 176.030 176.600 0.007 0.000 0.999 370 K CA -0.183 56.109 56.287 0.009 0.000 0.980 370 K CB 0.322 32.814 32.500 -0.014 0.000 0.919 370 K HN 0.529 nan 8.250 nan 0.000 0.484 371 V N 0.164 120.086 119.914 0.013 0.000 2.709 371 V HA 0.166 4.286 4.120 -0.000 0.000 0.308 371 V C 0.769 176.860 176.094 -0.004 0.000 1.062 371 V CA -1.148 61.157 62.300 0.008 0.000 0.901 371 V CB 1.654 33.490 31.823 0.023 0.000 1.003 371 V HN 0.790 nan 8.190 nan 0.000 0.425 372 Q N 2.019 121.811 119.800 -0.013 0.000 2.135 372 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 372 Q C 0.623 176.620 176.000 -0.005 0.000 0.981 372 Q CA 1.742 57.536 55.803 -0.016 0.000 0.856 372 Q CB 0.075 28.802 28.738 -0.019 0.000 0.902 372 Q HN 0.914 nan 8.270 nan 0.000 0.425 373 R N -2.005 118.493 120.500 -0.002 0.000 2.594 373 R HA 0.756 5.096 4.340 -0.000 0.000 0.265 373 R C -1.613 174.671 176.300 -0.027 0.000 1.070 373 R CA -0.440 55.666 56.100 0.009 0.000 0.909 373 R CB 1.278 31.600 30.300 0.036 0.000 1.243 373 R HN -0.057 nan 8.270 nan 0.000 0.455 374 A N 2.080 124.869 122.820 -0.053 0.000 2.498 374 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 374 A C -0.976 176.448 177.584 -0.267 0.000 1.075 374 A CA -0.740 51.174 52.037 -0.204 0.000 0.714 374 A CB 2.182 21.035 19.000 -0.245 0.000 1.299 374 A HN 0.438 nan 8.150 nan 0.000 0.407 375 V N -0.560 119.078 119.914 -0.460 0.000 3.019 375 V HA 0.539 4.659 4.120 -0.000 0.000 0.317 375 V C 0.544 176.371 176.094 -0.445 0.000 1.094 375 V CA -0.364 61.600 62.300 -0.560 0.000 1.000 375 V CB 1.497 32.885 31.823 -0.725 0.000 1.060 375 V HN 1.184 nan 8.190 nan 0.000 0.443 376 C N 1.206 120.311 119.300 -0.324 0.000 3.054 376 C HA 0.458 4.918 4.460 -0.000 0.000 0.527 376 C C 0.881 175.812 174.990 -0.098 0.000 1.347 376 C CA 0.346 59.283 59.018 -0.135 0.000 2.453 376 C CB -0.346 27.389 27.740 -0.010 0.000 3.406 376 C HN 1.035 nan 8.230 nan 0.000 0.562 377 M N 1.374 120.904 119.600 -0.117 0.000 4.019 377 M HA -0.182 4.298 4.480 -0.000 0.000 0.157 377 M C -1.901 174.413 176.300 0.024 0.000 1.528 377 M CA 0.797 56.060 55.300 -0.062 0.000 1.089 377 M CB -0.423 32.060 32.600 -0.195 0.000 1.344 377 M HN 0.351 nan 8.290 nan 0.000 0.223 378 L N 6.203 127.480 121.223 0.090 0.000 2.294 378 L HA 0.654 4.994 4.340 -0.000 0.000 0.283 378 L C -0.057 176.920 176.870 0.179 0.000 1.015 378 L CA -0.628 54.311 54.840 0.166 0.000 0.831 378 L CB 1.710 43.908 42.059 0.232 0.000 1.217 378 L HN 0.802 nan 8.230 nan 0.000 0.420 379 S N 1.717 117.534 115.700 0.194 0.000 2.503 379 S HA 0.350 4.820 4.470 -0.000 0.000 0.301 379 S C -0.508 174.200 174.600 0.181 0.000 1.087 379 S CA -0.899 57.436 58.200 0.225 0.000 1.042 379 S CB 2.209 65.641 63.200 0.388 0.000 1.043 379 S HN 0.635 nan 8.310 nan 0.000 0.489 380 N N 1.803 120.598 118.700 0.159 0.000 2.699 380 N HA 0.198 4.938 4.740 -0.000 0.000 0.232 380 N C -0.632 174.927 175.510 0.082 0.000 1.027 380 N CA 0.004 53.147 53.050 0.155 0.000 0.920 380 N CB 0.667 39.255 38.487 0.169 0.000 1.148 380 N HN 0.676 nan 8.380 nan 0.000 0.509 381 T N 0.127 114.684 114.554 0.006 0.000 2.936 381 T HA 0.155 4.505 4.350 -0.000 0.000 0.282 381 T C 1.700 176.428 174.700 0.047 0.000 1.003 381 T CA -0.312 61.691 62.100 -0.162 0.000 1.005 381 T CB 1.380 69.980 68.868 -0.446 0.000 1.097 381 T HN 0.493 nan 8.240 nan 0.000 0.532 382 T N -0.147 114.409 114.554 0.004 0.000 3.067 382 T HA 0.235 4.585 4.350 -0.000 0.000 0.257 382 T C 1.923 176.635 174.700 0.019 0.000 1.105 382 T CA 0.658 62.853 62.100 0.158 0.000 1.104 382 T CB -0.352 68.582 68.868 0.109 0.000 0.925 382 T HN 0.609 nan 8.240 nan 0.000 0.498 383 A N 1.065 123.840 122.820 -0.074 0.000 2.206 383 A HA 0.356 4.676 4.320 -0.000 0.000 0.211 383 A C 2.123 179.627 177.584 -0.133 0.000 1.158 383 A CA 0.133 52.136 52.037 -0.056 0.000 0.761 383 A CB -0.732 18.245 19.000 -0.038 0.000 0.801 383 A HN 0.541 nan 8.150 nan 0.000 0.473 384 I N -0.357 120.099 120.570 -0.189 0.000 2.830 384 I HA -0.109 4.061 4.170 -0.000 0.000 0.263 384 I C 2.214 178.039 176.117 -0.486 0.000 1.230 384 I CA 1.177 62.298 61.300 -0.299 0.000 1.480 384 I CB -0.479 37.406 38.000 -0.193 0.000 1.095 384 I HN 0.358 nan 8.210 nan 0.000 0.455 385 A N -0.150 122.407 122.820 -0.439 0.000 2.209 385 A HA -0.141 4.179 4.320 -0.000 0.000 0.212 385 A C 1.985 179.468 177.584 -0.167 0.000 1.158 385 A CA 0.633 52.476 52.037 -0.323 0.000 0.742 385 A CB -0.509 18.333 19.000 -0.264 0.000 0.790 385 A HN 0.466 nan 8.150 nan 0.000 0.472 386 E N -0.491 119.597 120.200 -0.187 0.000 2.338 386 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 386 E C 1.945 178.438 176.600 -0.177 0.000 1.007 386 E CA 0.687 57.009 56.400 -0.130 0.000 0.849 386 E CB -0.062 29.562 29.700 -0.127 0.000 0.774 386 E HN 0.673 nan 8.360 nan 0.000 0.506 387 A N -0.454 122.154 122.820 -0.353 0.000 1.997 387 A HA -0.043 4.277 4.320 -0.000 0.000 0.212 387 A C 1.439 178.874 177.584 -0.248 0.000 1.178 387 A CA -0.002 51.766 52.037 -0.449 0.000 0.698 387 A CB -0.598 17.832 19.000 -0.949 0.000 0.842 387 A HN 0.349 nan 8.150 nan 0.000 0.458 388 W N -0.111 121.107 121.300 -0.136 0.000 2.519 388 W HA 0.079 4.739 4.660 -0.000 0.000 0.266 388 W C 2.456 178.938 176.519 -0.061 0.000 1.253 388 W CA 0.513 57.789 57.345 -0.116 0.000 1.274 388 W CB 0.219 29.560 29.460 -0.198 0.000 1.114 388 W HN 0.418 nan 8.180 nan 0.000 0.596 389 A N 1.007 123.913 122.820 0.144 0.000 1.855 389 A HA -0.099 4.221 4.320 -0.000 0.000 0.213 389 A C 1.970 179.625 177.584 0.117 0.000 1.195 389 A CA 0.937 53.039 52.037 0.107 0.000 0.610 389 A CB -0.698 18.336 19.000 0.057 0.000 0.837 389 A HN 0.184 nan 8.150 nan 0.000 0.444 390 R N -0.945 119.607 120.500 0.087 0.000 2.154 390 R HA -0.173 4.167 4.340 -0.000 0.000 0.248 390 R C 1.814 178.199 176.300 0.142 0.000 1.155 390 R CA 1.446 57.605 56.100 0.099 0.000 0.979 390 R CB -0.578 29.781 30.300 0.098 0.000 0.869 390 R HN 0.405 nan 8.270 nan 0.000 0.452 391 L N 0.977 122.293 121.223 0.156 0.000 2.102 391 L HA -0.057 4.283 4.340 -0.000 0.000 0.202 391 L C 1.602 178.554 176.870 0.137 0.000 1.076 391 L CA 1.716 56.620 54.840 0.106 0.000 0.761 391 L CB -0.452 41.659 42.059 0.088 0.000 0.921 391 L HN -0.006 nan 8.230 nan 0.000 0.444 392 D N -1.291 119.185 120.400 0.125 0.000 2.106 392 D HA -0.271 4.369 4.640 -0.000 0.000 0.191 392 D C 2.078 178.496 176.300 0.197 0.000 0.997 392 D CA 1.495 55.550 54.000 0.093 0.000 0.834 392 D CB -0.346 40.479 40.800 0.042 0.000 0.956 392 D HN 0.413 nan 8.370 nan 0.000 0.448 393 H N 1.210 120.345 119.070 0.108 0.000 2.289 393 H HA -0.158 4.398 4.556 -0.000 0.000 0.294 393 H C 2.030 177.437 175.328 0.133 0.000 1.095 393 H CA 2.111 58.224 56.048 0.108 0.000 1.256 393 H CB 0.182 29.986 29.762 0.071 0.000 1.359 393 H HN 0.013 nan 8.280 nan 0.000 0.487 394 K N -0.197 120.334 120.400 0.218 0.000 1.987 394 K HA -0.191 4.129 4.320 -0.000 0.000 0.216 394 K C 2.287 178.974 176.600 0.145 0.000 1.051 394 K CA 1.917 58.286 56.287 0.136 0.000 0.942 394 K CB -0.662 31.897 32.500 0.098 0.000 0.722 394 K HN 0.198 nan 8.250 nan 0.000 0.444 395 F N 2.067 122.058 119.950 0.069 0.000 2.043 395 F HA -0.368 4.159 4.527 -0.000 0.000 0.297 395 F C 1.839 177.765 175.800 0.209 0.000 1.118 395 F CA 1.871 59.981 58.000 0.184 0.000 1.202 395 F CB -0.264 38.823 39.000 0.145 0.000 0.965 395 F HN 0.108 nan 8.300 nan 0.000 0.482 396 D N 0.629 121.370 120.400 0.568 0.000 2.149 396 D HA -0.255 4.385 4.640 -0.000 0.000 0.194 396 D C 2.163 178.558 176.300 0.159 0.000 1.001 396 D CA 1.897 56.115 54.000 0.363 0.000 0.849 396 D CB -0.646 40.258 40.800 0.173 0.000 0.939 396 D HN 0.498 nan 8.370 nan 0.000 0.449 397 L N -1.142 120.096 121.223 0.025 0.000 2.217 397 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 397 L C 2.123 179.005 176.870 0.021 0.000 1.107 397 L CA 0.870 55.684 54.840 -0.043 0.000 0.783 397 L CB -0.034 41.913 42.059 -0.186 0.000 0.919 397 L HN -0.036 nan 8.230 nan 0.000 0.442 398 M N -1.597 118.035 119.600 0.054 0.000 2.216 398 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 398 M C 2.142 178.526 176.300 0.141 0.000 1.080 398 M CA 1.287 56.632 55.300 0.073 0.000 1.153 398 M CB -0.218 32.360 32.600 -0.036 0.000 1.356 398 M HN 0.311 nan 8.290 nan 0.000 0.432 399 Y N 1.058 121.368 120.300 0.015 0.000 2.384 399 Y HA -0.168 4.382 4.550 -0.000 0.000 0.289 399 Y C 2.096 177.969 175.900 -0.045 0.000 1.152 399 Y CA 1.269 59.314 58.100 -0.092 0.000 1.258 399 Y CB -0.294 37.984 38.460 -0.303 0.000 0.979 399 Y HN 0.249 nan 8.280 nan 0.000 0.549 400 A N -0.515 122.334 122.820 0.048 0.000 2.234 400 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 400 A C 1.700 179.231 177.584 -0.088 0.000 1.167 400 A CA 1.658 53.693 52.037 -0.003 0.000 0.698 400 A CB -0.376 18.638 19.000 0.024 0.000 0.779 400 A HN 0.484 nan 8.150 nan 0.000 0.475 401 K N -2.055 118.269 120.400 -0.127 0.000 2.609 401 K HA 0.178 4.498 4.320 -0.000 0.000 0.195 401 K C -0.030 176.463 176.600 -0.177 0.000 1.144 401 K CA -0.422 55.787 56.287 -0.130 0.000 1.084 401 K CB 0.784 33.245 32.500 -0.065 0.000 0.877 401 K HN 0.136 nan 8.250 nan 0.000 0.540 402 R N -0.890 119.421 120.500 -0.316 0.000 3.863 402 R HA -0.274 4.066 4.340 -0.000 0.000 0.313 402 R C 0.984 177.249 176.300 -0.059 0.000 1.202 402 R CA 0.826 56.729 56.100 -0.328 0.000 0.852 402 R CB -2.916 27.197 30.300 -0.312 0.000 1.292 402 R HN 0.441 nan 8.270 nan 0.000 0.519 403 A N 0.021 122.874 122.820 0.056 0.000 1.886 403 A HA -0.265 4.055 4.320 -0.000 0.000 0.240 403 A C 1.453 179.130 177.584 0.155 0.000 1.875 403 A CA 2.503 54.640 52.037 0.166 0.000 0.760 403 A CB -0.626 18.598 19.000 0.374 0.000 0.849 403 A HN 0.347 nan 8.150 nan 0.000 0.505 404 F N -3.557 116.600 119.950 0.345 0.000 2.856 404 F HA 0.254 4.781 4.527 -0.000 0.000 0.338 404 F C 1.572 177.668 175.800 0.493 0.000 1.100 404 F CA -0.139 58.142 58.000 0.467 0.000 1.150 404 F CB 0.228 39.500 39.000 0.452 0.000 1.101 404 F HN 0.034 nan 8.300 nan 0.000 0.548 405 V N 1.972 122.126 119.914 0.400 0.000 2.363 405 V HA -0.376 3.744 4.120 -0.000 0.000 0.254 405 V C 2.908 179.120 176.094 0.197 0.000 1.074 405 V CA 2.833 65.150 62.300 0.027 0.000 1.069 405 V CB -0.548 30.991 31.823 -0.474 0.000 0.659 405 V HN 0.610 nan 8.190 nan 0.000 0.455 406 H N -3.099 116.022 119.070 0.084 0.000 2.489 406 H HA -0.247 4.309 4.556 -0.000 0.000 0.295 406 H C 2.024 177.352 175.328 0.001 0.000 1.082 406 H CA 1.901 57.928 56.048 -0.036 0.000 1.295 406 H CB -0.746 28.893 29.762 -0.204 0.000 1.380 406 H HN 0.633 nan 8.280 nan 0.000 0.548 407 W N 0.644 121.707 121.300 -0.395 0.000 2.467 407 W HA -0.044 4.616 4.660 -0.000 0.000 0.275 407 W C 1.769 178.249 176.519 -0.066 0.000 1.239 407 W CA 0.597 57.775 57.345 -0.277 0.000 1.266 407 W CB -0.230 29.065 29.460 -0.276 0.000 1.112 407 W HN 0.132 nan 8.180 nan 0.000 0.576 408 Y N -0.934 119.564 120.300 0.330 0.000 2.269 408 Y HA -0.137 4.413 4.550 -0.000 0.000 0.294 408 Y C 2.299 178.349 175.900 0.250 0.000 1.120 408 Y CA 0.949 59.267 58.100 0.364 0.000 1.159 408 Y CB -1.151 37.635 38.460 0.542 0.000 1.024 408 Y HN -0.316 nan 8.280 nan 0.000 0.532 409 V N -0.195 119.919 119.914 0.334 0.000 2.568 409 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 409 V C 2.465 178.638 176.094 0.131 0.000 1.072 409 V CA 1.782 64.195 62.300 0.188 0.000 1.084 409 V CB -1.529 30.360 31.823 0.111 0.000 0.676 409 V HN 0.570 nan 8.190 nan 0.000 0.469 410 G N -0.010 108.867 108.800 0.128 0.000 2.418 410 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 410 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 410 G C 1.449 176.410 174.900 0.103 0.000 1.158 410 G CA 0.633 45.785 45.100 0.087 0.000 0.771 410 G HN 0.514 nan 8.290 nan 0.000 0.545 411 E N 0.169 120.455 120.200 0.143 0.000 2.358 411 E HA 0.108 4.458 4.350 -0.000 0.000 0.195 411 E C 1.706 178.349 176.600 0.072 0.000 1.010 411 E CA 0.810 57.289 56.400 0.131 0.000 0.856 411 E CB 0.133 29.944 29.700 0.184 0.000 0.795 411 E HN 0.520 nan 8.360 nan 0.000 0.504 412 G N 1.057 109.885 108.800 0.046 0.000 2.165 412 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.144 412 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.144 412 G C -0.033 174.780 174.900 -0.144 0.000 1.049 412 G CA -0.047 45.023 45.100 -0.050 0.000 0.741 412 G HN 0.093 nan 8.290 nan 0.000 0.493 413 M N 0.206 119.806 119.600 0.000 0.000 2.471 413 M HA 0.657 5.137 4.480 -0.000 0.000 0.309 413 M C 0.272 176.643 176.300 0.119 0.000 1.186 413 M CA -0.569 54.763 55.300 0.055 0.000 1.008 413 M CB 1.263 34.058 32.600 0.326 0.000 1.551 413 M HN 0.159 nan 8.290 nan 0.000 0.477 414 E N 0.626 120.909 120.200 0.139 0.000 2.266 414 E HA 0.078 4.428 4.350 -0.000 0.000 0.277 414 E C 0.154 176.875 176.600 0.201 0.000 1.018 414 E CA 0.031 56.511 56.400 0.133 0.000 0.840 414 E CB 1.139 30.901 29.700 0.104 0.000 1.082 414 E HN 0.601 nan 8.360 nan 0.000 0.395 415 E N 2.212 122.500 120.200 0.145 0.000 2.204 415 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 415 E C 1.592 178.317 176.600 0.209 0.000 0.990 415 E CA 0.967 57.456 56.400 0.148 0.000 0.821 415 E CB 0.033 29.768 29.700 0.058 0.000 0.750 415 E HN 0.821 nan 8.360 nan 0.000 0.477 416 G N 0.974 109.864 108.800 0.149 0.000 2.418 416 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 416 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 416 G C 1.358 176.324 174.900 0.110 0.000 1.158 416 G CA 0.735 45.904 45.100 0.115 0.000 0.771 416 G HN 0.290 nan 8.290 nan 0.000 0.545 417 E N -0.749 119.536 120.200 0.140 0.000 2.265 417 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 417 E C 1.916 178.512 176.600 -0.006 0.000 0.996 417 E CA 0.354 56.805 56.400 0.086 0.000 0.832 417 E CB -0.164 29.615 29.700 0.132 0.000 0.756 417 E HN 0.496 nan 8.360 nan 0.000 0.491 418 F N 0.092 119.997 119.950 -0.074 0.000 2.163 418 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 418 F C 2.639 178.289 175.800 -0.251 0.000 1.094 418 F CA 1.090 58.990 58.000 -0.167 0.000 1.290 418 F CB -0.219 38.687 39.000 -0.156 0.000 1.017 418 F HN -0.025 nan 8.300 nan 0.000 0.483 419 S N -0.381 115.311 115.700 -0.013 0.000 2.344 419 S HA -0.249 4.221 4.470 -0.000 0.000 0.217 419 S C 2.054 176.551 174.600 -0.172 0.000 1.033 419 S CA 1.366 59.502 58.200 -0.108 0.000 1.017 419 S CB -0.578 62.615 63.200 -0.010 0.000 0.941 419 S HN 0.422 nan 8.310 nan 0.000 0.430 420 E N 1.139 121.257 120.200 -0.136 0.000 2.253 420 E HA -0.252 4.098 4.350 -0.000 0.000 0.202 420 E C 1.839 178.160 176.600 -0.464 0.000 1.014 420 E CA 1.322 57.601 56.400 -0.202 0.000 0.823 420 E CB -0.174 29.476 29.700 -0.084 0.000 0.736 420 E HN 0.474 nan 8.360 nan 0.000 0.478 421 A N 0.839 123.361 122.820 -0.495 0.000 1.887 421 A HA -0.028 4.292 4.320 -0.000 0.000 0.212 421 A C 2.152 179.352 177.584 -0.641 0.000 1.198 421 A CA 1.008 52.600 52.037 -0.742 0.000 0.628 421 A CB -0.308 18.410 19.000 -0.470 0.000 0.847 421 A HN 0.138 nan 8.150 nan 0.000 0.449 422 R N 0.524 120.674 120.500 -0.583 0.000 2.120 422 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 422 R C 1.708 177.753 176.300 -0.425 0.000 1.123 422 R CA 1.641 57.356 56.100 -0.641 0.000 0.975 422 R CB -0.505 29.410 30.300 -0.641 0.000 0.866 422 R HN 0.466 nan 8.270 nan 0.000 0.446 423 E N 0.406 120.392 120.200 -0.357 0.000 2.160 423 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 423 E C 1.173 177.610 176.600 -0.271 0.000 0.991 423 E CA 1.399 57.640 56.400 -0.264 0.000 0.810 423 E CB -0.196 29.371 29.700 -0.222 0.000 0.742 423 E HN 0.396 nan 8.360 nan 0.000 0.466 424 D N -0.606 119.570 120.400 -0.373 0.000 2.183 424 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 424 D C 1.781 177.915 176.300 -0.275 0.000 0.962 424 D CA 0.493 54.309 54.000 -0.307 0.000 0.849 424 D CB 0.120 40.709 40.800 -0.351 0.000 0.978 424 D HN 0.025 nan 8.370 nan 0.000 0.488 425 M N 0.227 119.622 119.600 -0.340 0.000 2.296 425 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 425 M C 2.115 178.282 176.300 -0.223 0.000 1.064 425 M CA 0.555 55.657 55.300 -0.330 0.000 1.109 425 M CB -0.838 31.527 32.600 -0.391 0.000 1.396 425 M HN 0.016 nan 8.290 nan 0.000 0.430 426 A N 0.223 122.925 122.820 -0.198 0.000 1.898 426 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 426 A C 2.435 179.962 177.584 -0.095 0.000 1.181 426 A CA 1.826 53.790 52.037 -0.122 0.000 0.620 426 A CB -0.753 18.179 19.000 -0.113 0.000 0.819 426 A HN 0.440 nan 8.150 nan 0.000 0.442 427 A N -0.325 122.425 122.820 -0.118 0.000 1.855 427 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 427 A C 2.167 179.704 177.584 -0.077 0.000 1.191 427 A CA 1.637 53.618 52.037 -0.092 0.000 0.613 427 A CB -0.783 18.155 19.000 -0.104 0.000 0.829 427 A HN 0.651 nan 8.150 nan 0.000 0.442 428 L N 0.038 121.194 121.223 -0.112 0.000 1.971 428 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 428 L C 2.314 179.215 176.870 0.051 0.000 1.072 428 L CA 2.568 57.358 54.840 -0.083 0.000 0.758 428 L CB -0.589 41.339 42.059 -0.218 0.000 0.889 428 L HN 0.525 nan 8.230 nan 0.000 0.433 429 E N -0.705 119.509 120.200 0.024 0.000 2.219 429 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 429 E C 2.113 178.780 176.600 0.112 0.000 0.998 429 E CA 1.111 57.576 56.400 0.108 0.000 0.818 429 E CB -0.052 29.681 29.700 0.056 0.000 0.741 429 E HN 0.414 nan 8.360 nan 0.000 0.477 430 K N 0.656 121.085 120.400 0.049 0.000 2.031 430 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 430 K C 1.618 178.240 176.600 0.037 0.000 1.049 430 K CA 1.045 57.352 56.287 0.033 0.000 0.939 430 K CB 0.041 32.539 32.500 -0.004 0.000 0.717 430 K HN 0.048 nan 8.250 nan 0.000 0.438 431 D N 0.077 120.482 120.400 0.008 0.000 2.116 431 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 431 D C 1.971 178.263 176.300 -0.014 0.000 0.998 431 D CA 1.335 55.306 54.000 -0.048 0.000 0.836 431 D CB -0.532 40.202 40.800 -0.111 0.000 0.951 431 D HN 0.230 nan 8.370 nan 0.000 0.449 432 Y N 1.334 121.672 120.300 0.063 0.000 2.081 432 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 432 Y C 2.611 178.557 175.900 0.076 0.000 1.163 432 Y CA 1.671 59.842 58.100 0.118 0.000 1.135 432 Y CB -0.028 38.521 38.460 0.148 0.000 0.970 432 Y HN 0.007 nan 8.280 nan 0.000 0.498 433 E N 0.139 120.468 120.200 0.216 0.000 2.150 433 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 433 E C 1.859 178.504 176.600 0.076 0.000 0.985 433 E CA 0.954 57.428 56.400 0.123 0.000 0.814 433 E CB -0.041 29.716 29.700 0.095 0.000 0.752 433 E HN 0.573 nan 8.360 nan 0.000 0.466 434 E N -0.192 120.039 120.200 0.052 0.000 2.268 434 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 434 E C 1.938 178.557 176.600 0.032 0.000 0.995 434 E CA 0.613 57.025 56.400 0.020 0.000 0.836 434 E CB 0.297 29.983 29.700 -0.023 0.000 0.763 434 E HN 0.143 nan 8.360 nan 0.000 0.491 435 V N 0.768 120.712 119.914 0.050 0.000 2.809 435 V HA -0.067 4.053 4.120 -0.000 0.000 0.256 435 V C 1.349 177.544 176.094 0.168 0.000 1.080 435 V CA 0.871 63.251 62.300 0.133 0.000 1.102 435 V CB -0.495 31.412 31.823 0.140 0.000 0.705 435 V HN 0.176 nan 8.190 nan 0.000 0.475 436 G N 0.629 109.481 108.800 0.087 0.000 2.272 436 G HA2 0.318 4.278 3.960 -0.000 0.000 0.247 436 G HA3 0.318 4.278 3.960 -0.000 0.000 0.247 436 G C 0.234 175.166 174.900 0.053 0.000 1.272 436 G CA 0.081 45.205 45.100 0.039 0.000 0.921 436 G HN 0.106 nan 8.290 nan 0.000 0.495 437 V N 0.000 119.929 119.914 0.025 0.000 2.409 437 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 437 V CA 0.000 62.324 62.300 0.041 0.000 1.235 437 V CB 0.000 31.829 31.823 0.009 0.000 1.184 437 V HN 0.000 nan 8.190 nan 0.000 0.556