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 2vz3_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASAPIGSAIS RNNWAVTcDS AQSGNEcNKA IDGNKDTFWH TFYGANGDPK DATA SEQUENCE PPHTYTIDMK TTQNVNGLSM LPRQDGNQNG WIGRHEVYLS SDGTNWGSPV DATA SEQUENCE ASGSWFADST TKYSNFETRP ARYVRLVAIT EANGQPWTSI AEINVFQASS DATA SEQUENCE YTAPQPGLGR WGPTIDLPIV PAAAAIEPTS GRVLMWSSYR NDAFGGSPGG DATA SEQUENCE ITLTSSWDPS TGIVSDRTVT VTKHDMFCPG ISMDGNGQIV VTGGNDAKKT DATA SEQUENCE SLYDSSSDSW IPGPDMQVAR GYQSSATMSD GRVFTIGGSW SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYR SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMCGNAVMYD AVKGKILTFG DATA SEQUENCE GSPDYQDSDA TTNAHIITLG EPGTSPNTVF ASNGLYFART FHTSVVLPDG DATA SEQUENCE STFITGGQRR GIPFEDSTPV FTPEIYVPEQ DTFYKQNPNS IVRVYHSISL DATA SEQUENCE LLPDGRVFNG GGGLCGDCTT NHFDAQIFTP NYLYNSNGNL ATRPKITRTS DATA SEQUENCE TQSVKVGGRI TISTDSSISK ASLIRYGTAT HTVNTDQRRI PLTLTNNGGN DATA SEQUENCE SYSFQVPSDS GVALPGYWML FVMNSAGVPS VASTIRVTQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.631 177.584 0.079 0.000 1.274 1 A CA 0.000 52.063 52.037 0.044 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 2 S N -1.984 113.717 115.700 0.002 0.000 2.998 2 S HA 0.973 5.443 4.470 0.000 0.000 0.321 2 S C -1.077 173.191 174.600 -0.553 0.000 1.171 2 S CA 0.491 58.553 58.200 -0.229 0.000 0.882 2 S CB 1.461 64.608 63.200 -0.088 0.000 1.301 2 S HN 2.606 nan 8.310 nan 0.000 0.629 3 A N 1.449 123.689 122.820 -0.967 0.000 2.605 3 A HA 0.774 5.094 4.320 0.000 0.000 0.294 3 A C -3.164 173.839 177.584 -0.969 0.000 1.062 3 A CA -1.197 50.309 52.037 -0.885 0.000 0.682 3 A CB 1.200 19.951 19.000 -0.415 0.000 1.278 3 A HN 0.501 nan 8.150 nan 0.000 0.410 4 P HA 0.368 nan 4.420 nan 0.000 0.276 4 P C 0.654 177.716 177.300 -0.397 0.000 1.244 4 P CA -0.324 62.387 63.100 -0.648 0.000 0.801 4 P CB 0.548 31.480 31.700 -1.280 0.000 1.006 5 I N -2.121 118.274 120.570 -0.291 0.000 3.603 5 I HA 0.309 4.479 4.170 0.000 0.000 0.297 5 I C 0.834 176.880 176.117 -0.119 0.000 1.269 5 I CA 0.118 61.319 61.300 -0.164 0.000 1.361 5 I CB -0.220 37.701 38.000 -0.131 0.000 1.063 5 I HN 0.216 nan 8.210 nan 0.000 0.448 6 G N 0.496 109.236 108.800 -0.101 0.000 3.075 6 G HA2 0.610 4.571 3.960 0.000 0.000 0.253 6 G HA3 0.610 4.571 3.960 0.000 0.000 0.253 6 G C -1.153 173.874 174.900 0.212 0.000 1.353 6 G CA -0.579 44.557 45.100 0.061 0.000 1.051 6 G HN 0.158 nan 8.290 nan 0.000 0.553 7 S N -0.502 115.359 115.700 0.268 0.000 2.475 7 S HA 0.625 5.095 4.470 0.000 0.000 0.298 7 S C 0.438 175.189 174.600 0.251 0.000 1.119 7 S CA -0.285 58.079 58.200 0.274 0.000 1.085 7 S CB 1.493 64.766 63.200 0.122 0.000 1.028 7 S HN 1.023 nan 8.310 nan 0.000 0.489 8 A N 3.334 126.235 122.820 0.135 0.000 2.546 8 A HA 0.285 4.606 4.320 0.000 0.000 0.243 8 A C 0.124 177.588 177.584 -0.200 0.000 1.063 8 A CA 0.011 51.841 52.037 -0.346 0.000 0.757 8 A CB -0.480 18.348 19.000 -0.287 0.000 0.991 8 A HN 0.809 nan 8.150 nan 0.000 0.503 9 I N 2.108 122.551 120.570 -0.212 0.000 2.474 9 I HA 0.076 4.247 4.170 0.000 0.000 0.287 9 I C 1.169 177.156 176.117 -0.216 0.000 1.048 9 I CA 0.067 61.333 61.300 -0.057 0.000 1.383 9 I CB 1.364 39.479 38.000 0.192 0.000 1.412 9 I HN 0.684 nan 8.210 nan 0.000 0.531 10 S N 5.286 120.880 115.700 -0.176 0.000 2.537 10 S HA 0.125 4.595 4.470 0.000 0.000 0.286 10 S C 0.955 175.208 174.600 -0.579 0.000 1.299 10 S CA -0.164 57.862 58.200 -0.290 0.000 1.067 10 S CB 0.168 63.274 63.200 -0.156 0.000 0.864 10 S HN 0.542 nan 8.310 nan 0.000 0.494 11 R N 3.471 123.464 120.500 -0.845 0.000 2.427 11 R HA 0.155 4.495 4.340 0.000 0.000 0.262 11 R C 1.104 177.029 176.300 -0.624 0.000 0.943 11 R CA -0.299 54.937 56.100 -1.441 0.000 1.081 11 R CB -0.070 29.411 30.300 -1.365 0.000 1.166 11 R HN 0.549 nan 8.270 nan 0.000 0.534 12 N N 1.654 120.152 118.700 -0.338 0.000 2.060 12 N HA -0.173 4.567 4.740 0.000 0.000 0.195 12 N C 0.793 176.276 175.510 -0.045 0.000 1.028 12 N CA 1.360 54.323 53.050 -0.145 0.000 0.861 12 N CB -0.102 38.328 38.487 -0.094 0.000 1.029 12 N HN 0.219 nan 8.380 nan 0.000 0.428 13 N N -0.610 118.106 118.700 0.026 0.000 2.238 13 N HA 0.008 4.748 4.740 0.000 0.000 0.222 13 N C -0.599 175.054 175.510 0.239 0.000 1.133 13 N CA -0.207 52.908 53.050 0.109 0.000 0.854 13 N CB 0.118 38.658 38.487 0.088 0.000 1.041 13 N HN 0.185 nan 8.380 nan 0.000 0.510 14 W N 1.811 123.100 121.300 -0.020 0.000 2.181 14 W HA 0.340 5.001 4.660 0.002 0.000 0.335 14 W C 0.561 177.072 176.519 -0.013 0.000 1.310 14 W CA -1.181 56.153 57.345 -0.018 0.000 1.226 14 W CB 0.210 29.670 29.460 -0.000 0.000 1.155 14 W HN -0.082 nan 8.180 nan 0.000 0.565 15 A N 3.517 126.418 122.820 0.135 0.000 2.318 15 A HA 0.762 5.082 4.320 0.000 0.000 0.324 15 A C -0.895 176.700 177.584 0.018 0.000 1.170 15 A CA -0.671 51.406 52.037 0.066 0.000 0.810 15 A CB 0.897 19.915 19.000 0.029 0.000 1.198 15 A HN 0.682 nan 8.150 nan 0.000 0.484 16 V N -0.040 119.868 119.914 -0.010 0.000 2.769 16 V HA 0.954 5.075 4.120 0.000 0.000 0.312 16 V C -0.339 175.601 176.094 -0.257 0.000 1.061 16 V CA -0.408 61.806 62.300 -0.144 0.000 0.931 16 V CB 1.592 33.333 31.823 -0.137 0.000 1.010 16 V HN 0.781 nan 8.190 nan 0.000 0.433 17 T N 2.471 116.790 114.554 -0.392 0.000 2.912 17 T HA 0.635 4.985 4.350 0.000 0.000 0.299 17 T C -0.713 173.647 174.700 -0.566 0.000 1.052 17 T CA -0.277 61.607 62.100 -0.360 0.000 0.996 17 T CB 1.424 70.185 68.868 -0.179 0.000 1.070 17 T HN 1.029 nan 8.240 nan 0.000 0.465 18 c N 1.834 120.138 118.600 -0.494 0.000 2.719 18 c HA 0.474 5.044 4.570 0.000 0.000 0.327 18 c C 1.749 175.738 174.090 -0.168 0.000 1.238 18 c CA -0.748 55.286 56.329 -0.492 0.000 1.727 18 c CB 1.711 43.792 42.510 -0.716 0.000 2.256 18 c HN 1.067 nan 8.230 nan 0.000 0.489 19 D N 0.522 120.918 120.400 -0.007 0.000 2.224 19 D HA -0.047 4.593 4.640 0.000 0.000 0.205 19 D C 0.478 176.776 176.300 -0.003 0.000 0.965 19 D CA 1.070 55.096 54.000 0.044 0.000 0.852 19 D CB 0.243 41.123 40.800 0.134 0.000 0.947 19 D HN 0.515 nan 8.370 nan 0.000 0.494 20 S N -1.055 114.639 115.700 -0.010 0.000 2.543 20 S HA 0.580 5.050 4.470 0.000 0.000 0.274 20 S C -2.023 172.494 174.600 -0.139 0.000 1.149 20 S CA -0.291 57.661 58.200 -0.413 0.000 0.866 20 S CB 1.603 64.374 63.200 -0.715 0.000 1.111 20 S HN 0.517 nan 8.310 nan 0.000 0.457 21 A N 2.591 125.220 122.820 -0.318 0.000 2.456 21 A HA 0.679 4.999 4.320 0.000 0.000 0.288 21 A C -0.717 177.041 177.584 0.290 0.000 1.042 21 A CA -0.543 51.615 52.037 0.202 0.000 0.738 21 A CB 1.614 20.809 19.000 0.325 0.000 1.266 21 A HN 0.887 nan 8.150 nan 0.000 0.407 22 Q N 1.123 121.153 119.800 0.384 0.000 2.395 22 Q HA 0.355 4.695 4.340 0.000 0.000 0.271 22 Q C 0.630 176.771 176.000 0.234 0.000 1.026 22 Q CA 0.684 56.707 55.803 0.367 0.000 0.900 22 Q CB 0.697 29.618 28.738 0.305 0.000 1.266 22 Q HN 0.832 nan 8.270 nan 0.000 0.430 23 S N 1.944 117.734 115.700 0.151 0.000 2.549 23 S HA 0.410 4.880 4.470 0.000 0.000 0.283 23 S C 0.928 175.557 174.600 0.050 0.000 1.320 23 S CA 0.819 59.072 58.200 0.089 0.000 1.058 23 S CB -0.177 63.050 63.200 0.045 0.000 0.882 23 S HN 1.014 nan 8.310 nan 0.000 0.498 24 G N 4.537 113.359 108.800 0.036 0.000 2.299 24 G HA2 -0.210 3.750 3.960 0.000 0.000 0.237 24 G HA3 -0.210 3.750 3.960 0.000 0.000 0.237 24 G C 0.220 175.099 174.900 -0.036 0.000 1.027 24 G CA 0.124 45.218 45.100 -0.010 0.000 0.619 24 G HN 0.676 nan 8.290 nan 0.000 0.513 25 N N 1.755 120.475 118.700 0.034 0.000 2.660 25 N HA 0.359 5.099 4.740 0.000 0.000 0.316 25 N C -0.229 175.437 175.510 0.260 0.000 1.774 25 N CA -0.061 53.026 53.050 0.061 0.000 0.946 25 N CB 0.879 39.415 38.487 0.081 0.000 1.322 25 N HN 0.520 nan 8.380 nan 0.000 0.492 26 E N -0.259 120.061 120.200 0.199 0.000 2.422 26 E HA -0.000 4.350 4.350 0.000 0.000 0.260 26 E C 1.101 177.860 176.600 0.265 0.000 1.108 26 E CA -0.141 56.388 56.400 0.215 0.000 0.943 26 E CB 0.941 30.710 29.700 0.115 0.000 0.961 26 E HN 0.164 nan 8.360 nan 0.000 0.443 27 c N 2.320 120.980 118.600 0.101 0.000 2.396 27 c HA -0.182 4.388 4.570 0.000 0.000 0.277 27 c C 1.806 175.933 174.090 0.061 0.000 1.231 27 c CA 1.623 57.851 56.329 -0.168 0.000 1.775 27 c CB -1.172 41.087 42.510 -0.418 0.000 2.036 27 c HN 0.844 nan 8.230 nan 0.000 0.484 28 N N -0.101 118.649 118.700 0.083 0.000 2.521 28 N HA -0.040 4.700 4.740 0.000 0.000 0.188 28 N C 1.158 176.759 175.510 0.152 0.000 1.146 28 N CA 0.609 53.736 53.050 0.127 0.000 0.893 28 N CB -0.651 37.883 38.487 0.080 0.000 0.975 28 N HN 0.424 nan 8.380 nan 0.000 0.451 29 K N 0.339 120.847 120.400 0.181 0.000 2.439 29 K HA 0.147 4.467 4.320 0.000 0.000 0.197 29 K C 1.278 177.997 176.600 0.197 0.000 1.041 29 K CA 0.702 57.085 56.287 0.161 0.000 0.970 29 K CB -0.113 32.472 32.500 0.142 0.000 0.773 29 K HN 0.393 nan 8.250 nan 0.000 0.479 30 A N 1.111 124.089 122.820 0.262 0.000 2.218 30 A HA 0.070 4.390 4.320 0.000 0.000 0.209 30 A C 1.541 179.197 177.584 0.120 0.000 1.168 30 A CA 0.175 52.331 52.037 0.198 0.000 0.804 30 A CB -0.337 18.749 19.000 0.143 0.000 0.834 30 A HN 0.370 nan 8.150 nan 0.000 0.482 31 I N -3.605 117.049 120.570 0.140 0.000 3.658 31 I HA 0.286 4.456 4.170 0.000 0.000 0.328 31 I C 0.170 176.293 176.117 0.009 0.000 1.567 31 I CA -0.056 61.286 61.300 0.071 0.000 1.078 31 I CB 0.578 38.669 38.000 0.151 0.000 1.267 31 I HN 0.044 nan 8.210 nan 0.000 0.495 32 D N 0.929 121.345 120.400 0.026 0.000 2.349 32 D HA 0.145 4.785 4.640 0.000 0.000 0.214 32 D C 1.571 177.861 176.300 -0.016 0.000 1.063 32 D CA 0.448 54.451 54.000 0.005 0.000 0.847 32 D CB 0.250 41.065 40.800 0.025 0.000 0.933 32 D HN 0.469 nan 8.370 nan 0.000 0.513 33 G N 0.558 109.343 108.800 -0.025 0.000 2.153 33 G HA2 -0.317 3.643 3.960 0.000 0.000 0.252 33 G HA3 -0.317 3.643 3.960 0.000 0.000 0.252 33 G C -0.053 174.841 174.900 -0.009 0.000 0.994 33 G CA 0.172 45.252 45.100 -0.033 0.000 0.698 33 G HN 0.610 nan 8.290 nan 0.000 0.521 34 N N 0.356 119.062 118.700 0.011 0.000 2.443 34 N HA 0.340 5.080 4.740 0.000 0.000 0.269 34 N C 1.359 176.897 175.510 0.046 0.000 0.985 34 N CA -0.379 52.685 53.050 0.023 0.000 0.921 34 N CB 0.942 39.443 38.487 0.023 0.000 1.195 34 N HN 0.439 nan 8.380 nan 0.000 0.492 35 K N 1.589 122.014 120.400 0.042 0.000 2.504 35 K HA 0.019 4.340 4.320 0.000 0.000 0.195 35 K C -0.393 176.265 176.600 0.097 0.000 1.036 35 K CA 0.930 57.251 56.287 0.056 0.000 0.984 35 K CB 0.366 32.885 32.500 0.031 0.000 0.788 35 K HN 0.293 nan 8.250 nan 0.000 0.488 36 D N 1.667 122.123 120.400 0.094 0.000 2.360 36 D HA -0.018 4.622 4.640 0.000 0.000 0.210 36 D C 0.154 176.545 176.300 0.153 0.000 1.047 36 D CA 0.606 54.681 54.000 0.125 0.000 0.854 36 D CB 0.748 41.593 40.800 0.076 0.000 0.936 36 D HN 0.410 nan 8.370 nan 0.000 0.514 37 T N -0.713 113.912 114.554 0.117 0.000 2.859 37 T HA 0.621 4.971 4.350 0.000 0.000 0.281 37 T C -0.319 174.481 174.700 0.167 0.000 1.005 37 T CA -0.904 61.216 62.100 0.033 0.000 1.025 37 T CB 1.250 70.116 68.868 -0.003 0.000 0.977 37 T HN -0.002 nan 8.240 nan 0.000 0.458 38 F N -0.219 119.796 119.950 0.109 0.000 2.601 38 F HA 0.744 5.271 4.527 0.000 0.000 0.309 38 F C -0.958 174.986 175.800 0.240 0.000 1.089 38 F CA -2.155 55.935 58.000 0.150 0.000 0.940 38 F CB 0.826 39.884 39.000 0.096 0.000 1.273 38 F HN 0.827 nan 8.300 nan 0.000 0.450 39 W N 4.433 125.920 121.300 0.312 0.000 2.218 39 W HA 0.516 5.175 4.660 -0.001 0.000 0.326 39 W C -1.330 175.436 176.519 0.412 0.000 1.276 39 W CA -0.043 57.476 57.345 0.290 0.000 1.210 39 W CB 0.379 30.027 29.460 0.315 0.000 1.143 39 W HN 0.788 nan 8.180 nan 0.000 0.563 40 H N 3.765 122.633 119.070 -0.336 0.000 2.947 40 H HA 0.216 4.773 4.556 0.001 0.000 0.354 40 H C -0.185 174.900 175.328 -0.404 0.000 1.085 40 H CA -0.031 55.760 56.048 -0.428 0.000 1.253 40 H CB 1.613 31.389 29.762 0.025 0.000 1.757 40 H HN 0.544 nan 8.280 nan 0.000 0.523 41 T N 1.323 115.652 114.554 -0.375 0.000 2.701 41 T HA 0.243 4.594 4.350 0.000 0.000 0.303 41 T C 0.965 175.902 174.700 0.395 0.000 1.030 41 T CA -0.559 61.487 62.100 -0.090 0.000 1.010 41 T CB 0.342 68.935 68.868 -0.459 0.000 1.007 41 T HN 0.348 nan 8.240 nan 0.000 0.532 42 F N 2.310 122.436 119.950 0.293 0.000 2.629 42 F HA 0.289 4.817 4.527 0.001 0.000 0.377 42 F C 0.302 176.385 175.800 0.472 0.000 1.101 42 F CA -0.395 57.778 58.000 0.289 0.000 1.301 42 F CB 0.091 39.212 39.000 0.201 0.000 1.062 42 F HN 0.695 nan 8.300 nan 0.000 0.583 43 Y N 0.378 120.892 120.300 0.358 0.000 2.552 43 Y HA 0.589 5.139 4.550 0.000 0.000 0.337 43 Y C 0.275 176.246 175.900 0.118 0.000 1.094 43 Y CA -0.765 57.510 58.100 0.291 0.000 1.028 43 Y CB 1.120 39.569 38.460 -0.019 0.000 1.321 43 Y HN 0.770 nan 8.280 nan 0.000 0.456 44 G N 1.781 110.675 108.800 0.157 0.000 4.608 44 G HA2 -0.381 3.579 3.960 0.000 0.000 0.352 44 G HA3 -0.381 3.579 3.960 0.000 0.000 0.352 44 G C 1.449 176.296 174.900 -0.089 0.000 1.395 44 G CA 2.387 47.488 45.100 0.002 0.000 1.148 44 G HN 2.021 nan 8.290 nan 0.000 0.804 45 A N 0.579 123.262 122.820 -0.227 0.000 2.648 45 A HA -0.321 4.000 4.320 0.000 0.000 0.237 45 A C 1.892 179.335 177.584 -0.235 0.000 1.571 45 A CA 3.185 55.074 52.037 -0.248 0.000 1.044 45 A CB -1.093 17.706 19.000 -0.336 0.000 0.632 45 A HN 1.340 nan 8.150 nan 0.000 0.501 46 N N 1.197 119.670 118.700 -0.379 0.000 2.410 46 N HA 0.294 5.034 4.740 0.000 0.000 0.231 46 N C 0.747 176.195 175.510 -0.103 0.000 1.172 46 N CA 1.241 54.043 53.050 -0.414 0.000 0.849 46 N CB -0.812 36.994 38.487 -1.135 0.000 1.116 46 N HN 1.120 nan 8.380 nan 0.000 0.485 47 G N 0.904 109.698 108.800 -0.009 0.000 2.642 47 G HA2 -0.230 3.730 3.960 0.000 0.000 0.231 47 G HA3 -0.230 3.730 3.960 0.000 0.000 0.231 47 G C -0.976 174.074 174.900 0.250 0.000 1.338 47 G CA -0.350 44.813 45.100 0.106 0.000 0.883 47 G HN 0.458 nan 8.290 nan 0.000 0.570 48 D N 1.793 122.344 120.400 0.251 0.000 2.607 48 D HA 0.436 5.076 4.640 0.000 0.000 0.318 48 D C -2.413 173.994 176.300 0.178 0.000 1.212 48 D CA -0.816 53.365 54.000 0.302 0.000 0.861 48 D CB 0.927 41.871 40.800 0.241 0.000 1.064 48 D HN 0.224 nan 8.370 nan 0.000 0.500 49 P HA -0.008 nan 4.420 nan 0.000 0.263 49 P C 0.279 177.730 177.300 0.252 0.000 1.195 49 P CA 0.190 63.444 63.100 0.256 0.000 0.762 49 P CB 0.993 32.917 31.700 0.373 0.000 0.799 50 K N 4.757 125.204 120.400 0.077 0.000 2.138 50 K HA 0.320 4.640 4.320 0.000 0.000 0.251 50 K C -2.122 174.325 176.600 -0.255 0.000 1.015 50 K CA -1.597 54.680 56.287 -0.017 0.000 0.917 50 K CB -0.407 32.049 32.500 -0.074 0.000 1.021 50 K HN 0.325 nan 8.250 nan 0.000 0.485 51 P HA 0.156 nan 4.420 nan 0.000 0.274 51 P C -2.526 174.587 177.300 -0.311 0.000 1.256 51 P CA -1.238 61.499 63.100 -0.605 0.000 0.795 51 P CB -0.223 31.376 31.700 -0.168 0.000 1.038 52 P HA 0.150 nan 4.420 nan 0.000 0.271 52 P C -0.665 176.417 177.300 -0.363 0.000 1.216 52 P CA 0.579 63.552 63.100 -0.212 0.000 0.776 52 P CB 0.270 31.922 31.700 -0.080 0.000 0.881 53 H N 0.233 119.372 119.070 0.115 0.000 2.569 53 H HA 0.493 5.050 4.556 0.002 0.000 0.357 53 H C -0.341 175.132 175.328 0.241 0.000 1.153 53 H CA -0.305 55.855 56.048 0.187 0.000 1.193 53 H CB 1.815 31.711 29.762 0.224 0.000 1.602 53 H HN 0.235 nan 8.280 nan 0.000 0.523 54 T N 2.253 117.021 114.554 0.356 0.000 2.841 54 T HA 0.188 4.538 4.350 0.000 0.000 0.285 54 T C -1.051 173.691 174.700 0.069 0.000 0.991 54 T CA -0.586 61.616 62.100 0.170 0.000 0.966 54 T CB 1.005 69.873 68.868 -0.000 0.000 0.962 54 T HN 0.381 nan 8.240 nan 0.000 0.438 55 Y N 2.600 122.866 120.300 -0.058 0.000 2.356 55 Y HA 0.472 5.021 4.550 -0.001 0.000 0.334 55 Y C -0.045 175.763 175.900 -0.154 0.000 0.958 55 Y CA -0.401 57.558 58.100 -0.234 0.000 1.196 55 Y CB 0.971 39.316 38.460 -0.191 0.000 1.137 55 Y HN 0.555 nan 8.280 nan 0.000 0.485 56 T N 7.325 121.712 114.554 -0.278 0.000 2.797 56 T HA 0.577 4.927 4.350 0.000 0.000 0.279 56 T C -0.547 174.106 174.700 -0.079 0.000 0.991 56 T CA -0.458 61.577 62.100 -0.109 0.000 0.979 56 T CB 0.713 69.522 68.868 -0.097 0.000 0.943 56 T HN 0.440 nan 8.240 nan 0.000 0.444 57 I N 2.757 123.350 120.570 0.038 0.000 2.406 57 I HA 0.340 4.510 4.170 0.000 0.000 0.290 57 I C -0.547 175.491 176.117 -0.133 0.000 0.999 57 I CA -0.804 60.440 61.300 -0.094 0.000 1.124 57 I CB 1.798 39.641 38.000 -0.262 0.000 1.289 57 I HN 0.480 nan 8.210 nan 0.000 0.441 58 D N 7.008 127.283 120.400 -0.209 0.000 2.392 58 D HA 0.333 4.973 4.640 0.000 0.000 0.228 58 D C 0.283 176.274 176.300 -0.516 0.000 1.074 58 D CA -0.361 53.403 54.000 -0.393 0.000 0.838 58 D CB 1.331 42.016 40.800 -0.190 0.000 1.067 58 D HN 0.451 nan 8.370 nan 0.000 0.511 59 M N 2.833 122.049 119.600 -0.642 0.000 2.561 59 M HA 0.020 4.500 4.480 0.000 0.000 0.238 59 M C 0.826 177.002 176.300 -0.206 0.000 1.131 59 M CA -0.153 54.804 55.300 -0.572 0.000 1.046 59 M CB 0.122 32.428 32.600 -0.491 0.000 1.532 59 M HN 0.280 nan 8.290 nan 0.000 0.497 60 K N -1.129 119.109 120.400 -0.269 0.000 3.658 60 K HA -0.152 4.168 4.320 0.000 0.000 0.372 60 K C 0.503 177.028 176.600 -0.126 0.000 0.598 60 K CA 2.187 58.384 56.287 -0.149 0.000 1.635 60 K CB -2.017 30.467 32.500 -0.027 0.000 1.178 60 K HN 0.593 nan 8.250 nan 0.000 0.470 61 T N -1.956 112.537 114.554 -0.101 0.000 2.901 61 T HA 0.548 4.898 4.350 0.000 0.000 0.293 61 T C -0.076 174.580 174.700 -0.073 0.000 1.084 61 T CA -0.573 61.489 62.100 -0.064 0.000 1.008 61 T CB 2.446 71.306 68.868 -0.013 0.000 1.170 61 T HN -0.012 nan 8.240 nan 0.000 0.509 62 T N 3.212 117.737 114.554 -0.048 0.000 2.834 62 T HA 0.290 4.640 4.350 0.000 0.000 0.298 62 T C -0.206 174.485 174.700 -0.015 0.000 0.966 62 T CA -0.329 61.747 62.100 -0.041 0.000 1.141 62 T CB 0.195 69.044 68.868 -0.033 0.000 0.905 62 T HN 0.459 nan 8.240 nan 0.000 0.535 63 Q N 2.468 122.263 119.800 -0.008 0.000 2.348 63 Q HA 0.341 4.681 4.340 0.000 0.000 0.271 63 Q C -0.410 175.604 176.000 0.023 0.000 1.067 63 Q CA -0.931 54.888 55.803 0.027 0.000 0.839 63 Q CB 1.307 30.080 28.738 0.059 0.000 1.354 63 Q HN 0.453 nan 8.270 nan 0.000 0.447 64 N N 1.220 119.947 118.700 0.044 0.000 2.968 64 N HA 0.124 4.864 4.740 0.000 0.000 0.271 64 N C -0.561 175.008 175.510 0.098 0.000 1.174 64 N CA 0.020 53.100 53.050 0.050 0.000 1.096 64 N CB 0.326 38.870 38.487 0.094 0.000 1.403 64 N HN 0.226 nan 8.380 nan 0.000 0.522 65 V N 2.533 122.523 119.914 0.126 0.000 2.572 65 V HA 0.047 4.168 4.120 0.000 0.000 0.291 65 V C 1.162 177.382 176.094 0.210 0.000 1.039 65 V CA -0.232 62.188 62.300 0.200 0.000 1.055 65 V CB 0.685 32.683 31.823 0.293 0.000 0.969 65 V HN 0.620 nan 8.190 nan 0.000 0.482 66 N N 2.456 121.169 118.700 0.021 0.000 2.240 66 N HA 0.385 5.125 4.740 0.000 0.000 0.240 66 N C -0.120 174.896 175.510 -0.823 0.000 1.277 66 N CA 0.416 53.302 53.050 -0.274 0.000 0.873 66 N CB 1.452 39.878 38.487 -0.102 0.000 1.222 66 N HN 0.804 nan 8.380 nan 0.000 0.507 67 G N -0.027 108.335 108.800 -0.730 0.000 2.328 67 G HA2 0.482 4.442 3.960 0.000 0.000 0.295 67 G HA3 0.482 4.442 3.960 0.000 0.000 0.295 67 G C -2.292 172.715 174.900 0.177 0.000 1.413 67 G CA -0.584 44.128 45.100 -0.647 0.000 0.817 67 G HN 0.426 nan 8.290 nan 0.000 0.546 68 L N -1.512 119.925 121.223 0.357 0.000 2.409 68 L HA 1.002 5.342 4.340 0.000 0.000 0.255 68 L C -0.004 177.109 176.870 0.405 0.000 1.027 68 L CA -1.117 54.024 54.840 0.503 0.000 0.834 68 L CB 1.657 43.968 42.059 0.420 0.000 1.426 68 L HN 1.166 nan 8.230 nan 0.000 0.411 69 S N 1.249 117.176 115.700 0.378 0.000 2.600 69 S HA 0.891 5.361 4.470 0.000 0.000 0.300 69 S C -0.585 173.925 174.600 -0.152 0.000 1.087 69 S CA -0.682 57.483 58.200 -0.060 0.000 0.965 69 S CB 1.852 64.974 63.200 -0.131 0.000 1.089 69 S HN 0.990 nan 8.310 nan 0.000 0.496 70 M N 3.034 122.367 119.600 -0.445 0.000 2.124 70 M HA 0.438 4.918 4.480 0.000 0.000 0.280 70 M C -2.216 173.815 176.300 -0.449 0.000 0.954 70 M CA -0.934 54.132 55.300 -0.390 0.000 0.958 70 M CB 1.244 33.554 32.600 -0.484 0.000 1.611 70 M HN 0.879 nan 8.290 nan 0.000 0.449 71 L N 9.061 130.123 121.223 -0.268 0.000 2.260 71 L HA 0.621 4.961 4.340 0.000 0.000 0.289 71 L C -2.442 174.338 176.870 -0.150 0.000 1.057 71 L CA -1.073 53.632 54.840 -0.224 0.000 0.811 71 L CB 0.984 42.964 42.059 -0.132 0.000 1.184 71 L HN 0.419 nan 8.230 nan 0.000 0.429 72 P HA 0.163 nan 4.420 nan 0.000 0.272 72 P C -1.137 176.140 177.300 -0.039 0.000 1.240 72 P CA -0.516 62.533 63.100 -0.085 0.000 0.791 72 P CB 0.297 31.900 31.700 -0.162 0.000 0.978 73 R N 1.484 121.935 120.500 -0.082 0.000 2.697 73 R HA -0.006 4.334 4.340 0.000 0.000 0.265 73 R C 0.046 176.314 176.300 -0.054 0.000 1.009 73 R CA 0.219 56.184 56.100 -0.225 0.000 1.099 73 R CB -0.282 29.544 30.300 -0.791 0.000 0.965 73 R HN 0.389 nan 8.270 nan 0.000 0.428 74 Q N 1.440 121.234 119.800 -0.011 0.000 2.155 74 Q HA 0.013 4.353 4.340 0.000 0.000 0.220 74 Q C -0.332 175.688 176.000 0.034 0.000 0.819 74 Q CA 0.159 55.979 55.803 0.028 0.000 1.032 74 Q CB 0.868 29.627 28.738 0.034 0.000 1.151 74 Q HN 0.800 nan 8.270 nan 0.000 0.487 75 D N -1.147 119.259 120.400 0.011 0.000 2.342 75 D HA 0.124 4.765 4.640 0.000 0.000 0.221 75 D C 1.169 177.467 176.300 -0.004 0.000 1.101 75 D CA 0.440 54.456 54.000 0.026 0.000 0.837 75 D CB 0.197 41.041 40.800 0.074 0.000 0.938 75 D HN 0.233 nan 8.370 nan 0.000 0.508 76 G N 0.373 109.174 108.800 0.001 0.000 2.176 76 G HA2 -0.295 3.665 3.960 0.000 0.000 0.253 76 G HA3 -0.295 3.665 3.960 0.000 0.000 0.253 76 G C 0.059 174.919 174.900 -0.066 0.000 0.979 76 G CA 0.049 45.149 45.100 -0.001 0.000 0.641 76 G HN 0.580 nan 8.290 nan 0.000 0.530 77 N N 0.743 119.360 118.700 -0.139 0.000 2.456 77 N HA 0.324 5.064 4.740 0.000 0.000 0.288 77 N C 1.545 176.772 175.510 -0.471 0.000 1.059 77 N CA 0.231 53.122 53.050 -0.265 0.000 0.946 77 N CB 0.957 39.288 38.487 -0.261 0.000 1.150 77 N HN 0.570 nan 8.380 nan 0.000 0.479 78 Q N 1.598 120.958 119.800 -0.732 0.000 2.425 78 Q HA 0.114 4.454 4.340 0.000 0.000 0.204 78 Q C -0.527 174.748 176.000 -1.209 0.000 0.933 78 Q CA 0.053 54.887 55.803 -1.615 0.000 0.939 78 Q CB 0.010 27.728 28.738 -1.699 0.000 1.044 78 Q HN 0.336 nan 8.270 nan 0.000 0.513 79 N N 1.647 119.974 118.700 -0.622 0.000 2.411 79 N HA 0.151 4.891 4.740 0.000 0.000 0.265 79 N C 0.656 175.983 175.510 -0.306 0.000 1.266 79 N CA 1.478 54.334 53.050 -0.322 0.000 0.889 79 N CB 0.939 39.233 38.487 -0.322 0.000 1.069 79 N HN 0.542 nan 8.380 nan 0.000 0.476 80 G N 1.150 109.873 108.800 -0.129 0.000 2.176 80 G HA2 -0.227 3.733 3.960 0.000 0.000 0.232 80 G HA3 -0.227 3.733 3.960 0.000 0.000 0.232 80 G C -0.448 174.468 174.900 0.027 0.000 0.986 80 G CA -0.592 44.422 45.100 -0.143 0.000 0.643 80 G HN 0.473 nan 8.290 nan 0.000 0.522 81 W N 1.222 122.471 121.300 -0.085 0.000 2.385 81 W HA 0.451 5.111 4.660 -0.000 0.000 0.336 81 W C 1.057 177.595 176.519 0.032 0.000 1.351 81 W CA -0.853 56.463 57.345 -0.048 0.000 1.295 81 W CB -0.313 29.117 29.460 -0.050 0.000 1.239 81 W HN 0.159 nan 8.180 nan 0.000 0.565 82 I N 4.295 125.051 120.570 0.311 0.000 2.471 82 I HA 0.152 4.322 4.170 0.000 0.000 0.286 82 I C 1.301 177.625 176.117 0.346 0.000 1.079 82 I CA 0.390 61.880 61.300 0.318 0.000 1.398 82 I CB 0.579 38.820 38.000 0.401 0.000 1.403 82 I HN 0.555 nan 8.210 nan 0.000 0.530 83 G N 6.371 115.325 108.800 0.256 0.000 2.606 83 G HA2 0.207 4.168 3.960 0.000 0.000 0.213 83 G HA3 0.207 4.168 3.960 0.000 0.000 0.213 83 G C 0.358 175.386 174.900 0.213 0.000 2.020 83 G CA -0.444 44.791 45.100 0.224 0.000 0.814 83 G HN 0.470 nan 8.290 nan 0.000 0.685 84 R N 1.345 121.913 120.500 0.113 0.000 2.590 84 R HA 0.384 4.725 4.340 0.000 0.000 0.274 84 R C -0.156 176.158 176.300 0.023 0.000 1.061 84 R CA 0.207 56.312 56.100 0.008 0.000 1.081 84 R CB 0.363 30.660 30.300 -0.004 0.000 0.984 84 R HN 0.790 nan 8.270 nan 0.000 0.448 85 H N -0.396 118.562 119.070 -0.186 0.000 3.003 85 H HA 0.424 4.982 4.556 0.003 0.000 0.327 85 H C -1.307 173.902 175.328 -0.198 0.000 1.353 85 H CA -1.067 54.855 56.048 -0.211 0.000 1.142 85 H CB 1.573 31.070 29.762 -0.441 0.000 1.864 85 H HN 0.565 nan 8.280 nan 0.000 0.529 86 E N 0.797 120.973 120.200 -0.041 0.000 2.340 86 E HA 0.482 4.832 4.350 0.000 0.000 0.273 86 E C -1.263 175.301 176.600 -0.060 0.000 0.891 86 E CA -1.114 55.201 56.400 -0.142 0.000 0.757 86 E CB 3.624 33.230 29.700 -0.158 0.000 1.231 86 E HN 0.313 nan 8.360 nan 0.000 0.439 87 V N 2.971 122.783 119.914 -0.170 0.000 2.448 87 V HA 0.393 4.513 4.120 0.000 0.000 0.295 87 V C -1.203 174.729 176.094 -0.270 0.000 1.025 87 V CA -0.682 61.569 62.300 -0.082 0.000 0.859 87 V CB 0.485 32.322 31.823 0.023 0.000 0.988 87 V HN 0.562 nan 8.190 nan 0.000 0.431 88 Y N 4.265 124.546 120.300 -0.032 0.000 2.487 88 Y HA 0.727 5.274 4.550 -0.004 0.000 0.337 88 Y C 0.068 176.091 175.900 0.204 0.000 1.076 88 Y CA -0.826 57.308 58.100 0.056 0.000 1.115 88 Y CB 1.723 40.220 38.460 0.061 0.000 1.235 88 Y HN 0.390 nan 8.280 nan 0.000 0.468 89 L N 1.293 122.760 121.223 0.408 0.000 2.319 89 L HA 0.786 5.126 4.340 0.000 0.000 0.267 89 L C -0.371 176.701 176.870 0.337 0.000 1.011 89 L CA -0.814 54.242 54.840 0.361 0.000 0.818 89 L CB 2.193 44.342 42.059 0.150 0.000 1.316 89 L HN 0.627 nan 8.230 nan 0.000 0.432 90 S N -1.126 114.651 115.700 0.130 0.000 2.547 90 S HA 0.343 4.813 4.470 0.000 0.000 0.270 90 S C 0.109 174.670 174.600 -0.065 0.000 1.150 90 S CA -0.063 58.003 58.200 -0.223 0.000 0.850 90 S CB 1.807 64.338 63.200 -1.114 0.000 1.118 90 S HN 0.694 nan 8.310 nan 0.000 0.461 91 S N 1.311 116.943 115.700 -0.114 0.000 2.511 91 S HA 0.149 4.619 4.470 0.000 0.000 0.214 91 S C 0.582 175.188 174.600 0.010 0.000 0.997 91 S CA 0.777 58.975 58.200 -0.004 0.000 0.908 91 S CB -0.192 62.983 63.200 -0.042 0.000 0.803 91 S HN 0.788 nan 8.310 nan 0.000 0.504 92 D N -0.745 119.499 120.400 -0.260 0.000 2.473 92 D HA 0.333 4.973 4.640 0.000 0.000 0.242 92 D C 1.431 177.195 176.300 -0.893 0.000 1.106 92 D CA 0.662 54.444 54.000 -0.365 0.000 0.854 92 D CB -0.373 40.262 40.800 -0.275 0.000 1.192 92 D HN 0.479 nan 8.370 nan 0.000 0.503 93 G N -0.259 107.707 108.800 -1.390 0.000 2.194 93 G HA2 -0.312 3.648 3.960 0.000 0.000 0.236 93 G HA3 -0.312 3.648 3.960 0.000 0.000 0.236 93 G C 1.155 175.504 174.900 -0.919 0.000 0.987 93 G CA 1.073 45.222 45.100 -1.585 0.000 0.635 93 G HN 0.718 nan 8.290 nan 0.000 0.520 94 T N -3.130 110.945 114.554 -0.798 0.000 2.989 94 T HA 0.273 4.623 4.350 0.000 0.000 0.250 94 T C 0.498 174.927 174.700 -0.451 0.000 0.981 94 T CA 0.433 62.279 62.100 -0.423 0.000 0.980 94 T CB 0.344 69.071 68.868 -0.234 0.000 1.133 94 T HN 0.168 nan 8.240 nan 0.000 0.489 95 N N 0.900 119.269 118.700 -0.553 0.000 2.462 95 N HA 0.279 5.019 4.740 0.000 0.000 0.242 95 N C -1.007 174.233 175.510 -0.449 0.000 1.010 95 N CA -0.335 52.504 53.050 -0.351 0.000 0.939 95 N CB 0.927 39.281 38.487 -0.222 0.000 1.127 95 N HN 0.502 nan 8.380 nan 0.000 0.509 96 W N 1.648 122.901 121.300 -0.077 0.000 3.107 96 W HA 0.259 4.917 4.660 -0.004 0.000 0.293 96 W C 1.579 178.160 176.519 0.104 0.000 1.239 96 W CA 0.235 57.561 57.345 -0.032 0.000 1.653 96 W CB 0.263 29.598 29.460 -0.208 0.000 1.068 96 W HN 0.674 nan 8.180 nan 0.000 0.615 97 G N 1.171 110.114 108.800 0.238 0.000 2.575 97 G HA2 -0.296 3.665 3.960 0.000 0.000 0.267 97 G HA3 -0.296 3.665 3.960 0.000 0.000 0.267 97 G C 0.224 175.314 174.900 0.317 0.000 1.264 97 G CA 0.145 45.370 45.100 0.209 0.000 0.935 97 G HN 0.388 nan 8.290 nan 0.000 0.568 98 S N 0.724 116.553 115.700 0.216 0.000 2.654 98 S HA 0.739 5.209 4.470 0.000 0.000 0.283 98 S C -2.540 172.045 174.600 -0.025 0.000 1.180 98 S CA -0.869 57.428 58.200 0.162 0.000 1.021 98 S CB 2.022 65.271 63.200 0.082 0.000 1.018 98 S HN 0.692 nan 8.310 nan 0.000 0.532 99 P HA 0.108 nan 4.420 nan 0.000 0.269 99 P C 1.042 178.149 177.300 -0.321 0.000 1.209 99 P CA -0.534 62.177 63.100 -0.649 0.000 0.776 99 P CB 0.415 31.706 31.700 -0.681 0.000 0.876 100 V N -0.474 119.219 119.914 -0.368 0.000 3.235 100 V HA 0.460 4.580 4.120 0.000 0.000 0.259 100 V C 0.594 176.507 176.094 -0.302 0.000 1.133 100 V CA 0.942 63.020 62.300 -0.369 0.000 1.128 100 V CB -1.013 30.387 31.823 -0.704 0.000 0.757 100 V HN 0.577 nan 8.190 nan 0.000 0.469 101 A N 0.135 122.792 122.820 -0.271 0.000 2.547 101 A HA 0.854 5.174 4.320 0.000 0.000 0.297 101 A C -0.413 177.075 177.584 -0.160 0.000 1.056 101 A CA 0.256 52.234 52.037 -0.099 0.000 0.688 101 A CB 1.658 20.726 19.000 0.114 0.000 1.282 101 A HN 1.221 nan 8.150 nan 0.000 0.400 102 S N 0.110 115.703 115.700 -0.178 0.000 2.587 102 S HA 0.978 5.448 4.470 0.000 0.000 0.269 102 S C -0.062 174.314 174.600 -0.373 0.000 1.154 102 S CA 0.299 58.305 58.200 -0.324 0.000 0.824 102 S CB 1.035 64.107 63.200 -0.213 0.000 1.118 102 S HN 2.842 nan 8.310 nan 0.000 0.462 103 G N 0.546 108.996 108.800 -0.584 0.000 2.288 103 G HA2 0.418 4.378 3.960 0.000 0.000 0.227 103 G HA3 0.418 4.378 3.960 0.000 0.000 0.227 103 G C -1.341 173.237 174.900 -0.537 0.000 1.339 103 G CA -0.158 44.724 45.100 -0.364 0.000 1.057 103 G HN 1.477 nan 8.290 nan 0.000 0.470 104 S N -0.325 115.270 115.700 -0.175 0.000 2.538 104 S HA 0.668 5.138 4.470 0.000 0.000 0.288 104 S C -1.237 173.505 174.600 0.236 0.000 1.108 104 S CA -0.508 57.708 58.200 0.027 0.000 0.971 104 S CB 1.407 64.667 63.200 0.101 0.000 1.041 104 S HN 0.522 nan 8.310 nan 0.000 0.483 105 W N 2.217 123.703 121.300 0.309 0.000 2.381 105 W HA 0.461 5.124 4.660 0.005 0.000 0.329 105 W C 0.122 176.697 176.519 0.093 0.000 1.157 105 W CA -1.885 55.548 57.345 0.146 0.000 1.240 105 W CB 0.352 29.805 29.460 -0.011 0.000 1.199 105 W HN 0.612 nan 8.180 nan 0.000 0.579 106 F N 2.018 122.046 119.950 0.131 0.000 2.553 106 F HA 0.282 4.809 4.527 -0.001 0.000 0.356 106 F C 0.763 176.515 175.800 -0.080 0.000 1.142 106 F CA -0.175 57.823 58.000 -0.003 0.000 1.322 106 F CB 0.677 39.603 39.000 -0.124 0.000 1.126 106 F HN 0.343 nan 8.300 nan 0.000 0.599 107 A N 5.046 127.397 122.820 -0.782 0.000 2.805 107 A HA 0.423 4.743 4.320 0.000 0.000 0.301 107 A C -0.920 176.205 177.584 -0.764 0.000 1.557 107 A CA 0.156 51.886 52.037 -0.512 0.000 1.254 107 A CB -1.187 17.680 19.000 -0.221 0.000 1.114 107 A HN 0.746 nan 8.150 nan 0.000 0.553 108 D N -0.862 118.887 120.400 -1.084 0.000 2.713 108 D HA 0.178 4.818 4.640 0.000 0.000 0.306 108 D C 0.260 175.673 176.300 -1.478 0.000 1.299 108 D CA 0.185 53.446 54.000 -1.231 0.000 0.823 108 D CB 0.029 40.674 40.800 -0.258 0.000 1.353 108 D HN 0.196 nan 8.370 nan 0.000 0.447 109 S N -1.522 113.706 115.700 -0.787 0.000 2.634 109 S HA 0.202 4.672 4.470 0.000 0.000 0.221 109 S C 0.651 175.051 174.600 -0.334 0.000 0.952 109 S CA 0.259 58.184 58.200 -0.459 0.000 0.930 109 S CB -1.275 61.907 63.200 -0.031 0.000 0.780 109 S HN 0.777 nan 8.310 nan 0.000 0.498 110 T N 0.253 114.591 114.554 -0.360 0.000 2.899 110 T HA 0.341 4.691 4.350 0.000 0.000 0.295 110 T C 0.158 174.638 174.700 -0.366 0.000 1.033 110 T CA -0.447 61.483 62.100 -0.284 0.000 1.084 110 T CB 0.499 69.219 68.868 -0.245 0.000 0.979 110 T HN 0.177 nan 8.240 nan 0.000 0.532 111 T N 4.146 118.510 114.554 -0.316 0.000 2.908 111 T HA 0.167 4.518 4.350 0.000 0.000 0.301 111 T C 0.305 174.610 174.700 -0.658 0.000 1.019 111 T CA -0.252 61.564 62.100 -0.473 0.000 1.152 111 T CB 0.041 68.662 68.868 -0.411 0.000 0.966 111 T HN 0.461 nan 8.240 nan 0.000 0.540 112 K N 2.400 122.229 120.400 -0.952 0.000 2.156 112 K HA 0.530 4.850 4.320 0.000 0.000 0.250 112 K C -0.939 174.993 176.600 -1.113 0.000 0.955 112 K CA -0.616 54.966 56.287 -1.175 0.000 0.855 112 K CB 1.382 32.569 32.500 -2.188 0.000 1.101 112 K HN 0.553 nan 8.250 nan 0.000 0.434 113 Y N -0.866 119.221 120.300 -0.355 0.000 2.499 113 Y HA 0.339 4.889 4.550 -0.001 0.000 0.347 113 Y C -0.042 176.078 175.900 0.367 0.000 0.987 113 Y CA -0.764 57.327 58.100 -0.014 0.000 1.044 113 Y CB 2.424 40.854 38.460 -0.050 0.000 1.245 113 Y HN 0.328 nan 8.280 nan 0.000 0.461 114 S N 2.768 118.787 115.700 0.532 0.000 2.640 114 S HA 0.396 4.866 4.470 0.000 0.000 0.320 114 S C -0.987 173.798 174.600 0.309 0.000 1.097 114 S CA -0.907 57.624 58.200 0.553 0.000 1.092 114 S CB 0.161 63.763 63.200 0.670 0.000 0.988 114 S HN 0.477 nan 8.310 nan 0.000 0.470 115 N N 3.157 121.980 118.700 0.204 0.000 2.400 115 N HA 0.737 5.477 4.740 0.000 0.000 0.288 115 N C -0.831 174.708 175.510 0.048 0.000 1.024 115 N CA -0.282 52.732 53.050 -0.061 0.000 0.894 115 N CB 1.260 39.738 38.487 -0.015 0.000 1.173 115 N HN 0.571 nan 8.380 nan 0.000 0.487 116 F N -1.659 118.342 119.950 0.084 0.000 2.741 116 F HA 0.463 4.992 4.527 0.004 0.000 0.313 116 F C -0.129 175.708 175.800 0.061 0.000 1.153 116 F CA -1.247 56.795 58.000 0.070 0.000 0.931 116 F CB 0.614 39.668 39.000 0.089 0.000 1.335 116 F HN -0.020 nan 8.300 nan 0.000 0.460 117 E N 1.175 121.588 120.200 0.356 0.000 2.442 117 E HA 0.130 4.480 4.350 0.000 0.000 0.262 117 E C -0.252 176.536 176.600 0.314 0.000 1.004 117 E CA 0.128 56.672 56.400 0.241 0.000 0.928 117 E CB 0.575 30.419 29.700 0.241 0.000 0.937 117 E HN 0.660 nan 8.360 nan 0.000 0.446 118 T N 3.383 118.071 114.554 0.224 0.000 2.908 118 T HA 0.116 4.466 4.350 0.000 0.000 0.301 118 T C 0.631 175.505 174.700 0.291 0.000 1.019 118 T CA 0.442 62.698 62.100 0.260 0.000 1.152 118 T CB 0.310 69.339 68.868 0.269 0.000 0.966 118 T HN 0.280 nan 8.240 nan 0.000 0.540 119 R N 3.855 124.455 120.500 0.166 0.000 2.510 119 R HA 0.301 4.641 4.340 0.000 0.000 0.287 119 R C -2.945 173.272 176.300 -0.138 0.000 1.084 119 R CA -2.005 54.068 56.100 -0.044 0.000 0.934 119 R CB 1.566 31.900 30.300 0.056 0.000 1.201 119 R HN 0.325 nan 8.270 nan 0.000 0.431 120 P HA 0.107 nan 4.420 nan 0.000 0.264 120 P C -1.293 175.943 177.300 -0.105 0.000 1.193 120 P CA 0.225 63.182 63.100 -0.237 0.000 0.763 120 P CB 1.298 32.796 31.700 -0.337 0.000 0.810 121 A N 3.208 126.005 122.820 -0.038 0.000 2.605 121 A HA 0.483 4.804 4.320 0.000 0.000 0.294 121 A C 0.529 178.101 177.584 -0.020 0.000 1.062 121 A CA -0.662 51.376 52.037 0.002 0.000 0.682 121 A CB 1.377 20.414 19.000 0.062 0.000 1.278 121 A HN 0.491 nan 8.150 nan 0.000 0.410 122 R N -0.525 119.956 120.500 -0.032 0.000 2.250 122 R HA 0.259 4.599 4.340 0.000 0.000 0.194 122 R C -0.860 175.214 176.300 -0.377 0.000 0.927 122 R CA 0.619 56.588 56.100 -0.217 0.000 1.052 122 R CB 0.199 30.322 30.300 -0.295 0.000 1.055 122 R HN 0.685 nan 8.270 nan 0.000 0.537 123 Y N -0.083 120.181 120.300 -0.061 0.000 2.409 123 Y HA 0.517 5.067 4.550 0.001 0.000 0.339 123 Y C -0.444 175.583 175.900 0.211 0.000 1.033 123 Y CA -0.994 57.128 58.100 0.036 0.000 1.094 123 Y CB 2.228 40.700 38.460 0.021 0.000 1.210 123 Y HN -0.331 nan 8.280 nan 0.000 0.456 124 V N 3.442 123.570 119.914 0.357 0.000 2.638 124 V HA 0.582 4.702 4.120 0.000 0.000 0.306 124 V C -0.784 175.447 176.094 0.229 0.000 1.052 124 V CA -1.118 61.364 62.300 0.303 0.000 0.885 124 V CB 2.094 33.999 31.823 0.137 0.000 0.999 124 V HN 0.762 nan 8.190 nan 0.000 0.424 125 R N 3.623 124.197 120.500 0.122 0.000 2.575 125 R HA 0.716 5.056 4.340 0.000 0.000 0.293 125 R C -2.028 174.316 176.300 0.072 0.000 0.983 125 R CA -0.750 55.298 56.100 -0.088 0.000 0.887 125 R CB 1.830 31.702 30.300 -0.713 0.000 1.184 125 R HN 0.588 nan 8.270 nan 0.000 0.445 126 L N 5.486 126.792 121.223 0.137 0.000 2.280 126 L HA 0.418 4.758 4.340 0.000 0.000 0.287 126 L C -1.392 175.595 176.870 0.194 0.000 1.023 126 L CA -0.462 54.497 54.840 0.199 0.000 0.819 126 L CB 1.844 44.057 42.059 0.258 0.000 1.212 126 L HN 0.400 nan 8.230 nan 0.000 0.420 127 V N 5.272 125.295 119.914 0.181 0.000 2.350 127 V HA 0.633 4.753 4.120 0.000 0.000 0.276 127 V C 0.573 176.778 176.094 0.185 0.000 1.028 127 V CA -0.496 61.903 62.300 0.165 0.000 0.860 127 V CB 1.061 32.974 31.823 0.150 0.000 0.990 127 V HN 0.926 nan 8.190 nan 0.000 0.453 128 A N 5.585 128.540 122.820 0.225 0.000 2.391 128 A HA 0.557 4.878 4.320 0.000 0.000 0.316 128 A C 0.908 178.573 177.584 0.135 0.000 1.381 128 A CA -0.283 51.884 52.037 0.217 0.000 0.998 128 A CB -0.118 19.053 19.000 0.286 0.000 1.147 128 A HN 0.860 nan 8.150 nan 0.000 0.545 129 I N 1.526 122.151 120.570 0.092 0.000 2.406 129 I HA -0.028 4.142 4.170 0.000 0.000 0.249 129 I C 1.325 177.458 176.117 0.026 0.000 1.122 129 I CA 1.529 62.851 61.300 0.037 0.000 1.431 129 I CB 0.013 38.024 38.000 0.018 0.000 1.087 129 I HN 0.735 nan 8.210 nan 0.000 0.424 130 T N -2.728 111.862 114.554 0.060 0.000 2.883 130 T HA 0.335 4.685 4.350 0.000 0.000 0.301 130 T C -0.667 174.092 174.700 0.099 0.000 1.158 130 T CA -0.848 61.285 62.100 0.055 0.000 1.007 130 T CB 2.893 71.786 68.868 0.043 0.000 1.186 130 T HN -0.045 nan 8.240 nan 0.000 0.499 131 E N 0.237 120.486 120.200 0.082 0.000 2.277 131 E HA 0.499 4.849 4.350 0.000 0.000 0.274 131 E C 1.205 177.873 176.600 0.113 0.000 1.022 131 E CA -0.342 56.122 56.400 0.107 0.000 0.853 131 E CB 1.668 31.407 29.700 0.066 0.000 1.086 131 E HN 0.848 nan 8.360 nan 0.000 0.397 132 A N 4.185 127.110 122.820 0.175 0.000 2.070 132 A HA -0.171 4.149 4.320 0.000 0.000 0.220 132 A C 1.226 178.879 177.584 0.115 0.000 1.159 132 A CA 1.588 53.728 52.037 0.172 0.000 0.656 132 A CB -0.259 18.902 19.000 0.267 0.000 0.800 132 A HN 0.700 nan 8.150 nan 0.000 0.453 133 N N -1.977 116.776 118.700 0.088 0.000 2.235 133 N HA 0.370 5.110 4.740 0.000 0.000 0.231 133 N C 0.659 176.177 175.510 0.013 0.000 1.177 133 N CA 0.556 53.631 53.050 0.041 0.000 0.874 133 N CB 0.804 39.299 38.487 0.014 0.000 1.097 133 N HN 0.467 nan 8.380 nan 0.000 0.518 134 G N 0.684 109.491 108.800 0.012 0.000 2.143 134 G HA2 -0.299 3.661 3.960 0.000 0.000 0.248 134 G HA3 -0.299 3.661 3.960 0.000 0.000 0.248 134 G C -0.041 174.815 174.900 -0.074 0.000 0.991 134 G CA 0.019 45.108 45.100 -0.019 0.000 0.689 134 G HN 0.351 nan 8.290 nan 0.000 0.522 135 Q N -0.578 119.165 119.800 -0.095 0.000 2.185 135 Q HA 0.446 4.787 4.340 0.000 0.000 0.225 135 Q C -1.622 174.140 176.000 -0.396 0.000 0.983 135 Q CA -1.691 53.953 55.803 -0.266 0.000 0.950 135 Q CB 1.173 29.819 28.738 -0.154 0.000 1.176 135 Q HN 0.106 nan 8.270 nan 0.000 0.510 136 P HA -0.059 nan 4.420 nan 0.000 0.231 136 P C -0.746 176.335 177.300 -0.364 0.000 1.168 136 P CA 0.829 63.545 63.100 -0.641 0.000 0.779 136 P CB 0.350 31.530 31.700 -0.865 0.000 0.844 137 W N -0.372 120.939 121.300 0.018 0.000 2.436 137 W HA 0.437 5.098 4.660 0.001 0.000 0.347 137 W C -0.051 176.303 176.519 -0.274 0.000 1.136 137 W CA -0.161 57.073 57.345 -0.185 0.000 1.286 137 W CB 0.231 29.547 29.460 -0.240 0.000 1.253 137 W HN -0.351 nan 8.180 nan 0.000 0.617 138 T N 1.672 116.034 114.554 -0.319 0.000 2.824 138 T HA 0.443 4.794 4.350 0.000 0.000 0.282 138 T C -0.345 173.862 174.700 -0.822 0.000 0.993 138 T CA -0.521 61.349 62.100 -0.384 0.000 0.967 138 T CB 1.602 70.356 68.868 -0.190 0.000 0.960 138 T HN 0.351 nan 8.240 nan 0.000 0.441 139 S N 2.421 117.785 115.700 -0.561 0.000 2.549 139 S HA 0.859 5.329 4.470 0.000 0.000 0.280 139 S C -1.095 173.430 174.600 -0.125 0.000 1.109 139 S CA -0.891 57.014 58.200 -0.492 0.000 0.905 139 S CB 1.214 64.125 63.200 -0.482 0.000 1.081 139 S HN 0.633 nan 8.310 nan 0.000 0.477 140 I N 1.663 122.297 120.570 0.107 0.000 2.548 140 I HA 0.442 4.612 4.170 0.000 0.000 0.287 140 I C 0.821 177.092 176.117 0.256 0.000 1.103 140 I CA -1.053 60.358 61.300 0.186 0.000 1.049 140 I CB 2.020 40.181 38.000 0.268 0.000 1.232 140 I HN 0.874 nan 8.210 nan 0.000 0.429 141 A N 4.734 127.650 122.820 0.161 0.000 1.872 141 A HA 0.144 4.464 4.320 0.000 0.000 0.214 141 A C 0.682 178.345 177.584 0.132 0.000 1.187 141 A CA 1.356 53.517 52.037 0.206 0.000 0.614 141 A CB 0.150 19.229 19.000 0.132 0.000 0.826 141 A HN 0.663 nan 8.150 nan 0.000 0.442 142 E N -1.241 118.987 120.200 0.047 0.000 2.304 142 E HA 0.502 4.852 4.350 0.000 0.000 0.277 142 E C -1.742 174.835 176.600 -0.038 0.000 0.898 142 E CA -0.281 56.126 56.400 0.010 0.000 0.764 142 E CB 1.867 31.563 29.700 -0.008 0.000 1.216 142 E HN 0.361 nan 8.360 nan 0.000 0.419 143 I N 2.556 123.099 120.570 -0.046 0.000 2.433 143 I HA 0.400 4.570 4.170 0.000 0.000 0.292 143 I C -0.968 175.176 176.117 0.045 0.000 1.001 143 I CA -0.481 60.792 61.300 -0.046 0.000 1.119 143 I CB 0.865 38.745 38.000 -0.201 0.000 1.289 143 I HN 0.266 nan 8.210 nan 0.000 0.438 144 N N 5.653 124.390 118.700 0.062 0.000 2.262 144 N HA 0.558 5.298 4.740 0.000 0.000 0.295 144 N C -1.558 173.967 175.510 0.026 0.000 1.161 144 N CA -0.426 52.601 53.050 -0.038 0.000 0.767 144 N CB 2.838 41.169 38.487 -0.261 0.000 1.499 144 N HN 0.230 nan 8.380 nan 0.000 0.476 145 V N 1.996 121.901 119.914 -0.015 0.000 2.604 145 V HA 0.575 4.695 4.120 0.000 0.000 0.305 145 V C -0.923 175.054 176.094 -0.195 0.000 1.043 145 V CA -0.624 61.741 62.300 0.108 0.000 0.888 145 V CB 1.298 33.285 31.823 0.273 0.000 0.995 145 V HN 0.471 nan 8.190 nan 0.000 0.429 146 F N 2.304 122.332 119.950 0.129 0.000 2.556 146 F HA 0.710 5.237 4.527 -0.000 0.000 0.327 146 F C 0.261 176.089 175.800 0.047 0.000 1.059 146 F CA -0.618 57.423 58.000 0.069 0.000 0.953 146 F CB 1.908 40.920 39.000 0.020 0.000 1.227 146 F HN 0.546 nan 8.300 nan 0.000 0.478 147 Q N 1.462 121.387 119.800 0.208 0.000 2.394 147 Q HA 0.871 5.211 4.340 0.000 0.000 0.273 147 Q C -1.392 174.667 176.000 0.098 0.000 1.089 147 Q CA -1.369 54.512 55.803 0.130 0.000 0.812 147 Q CB 2.334 31.134 28.738 0.103 0.000 1.353 147 Q HN 0.753 nan 8.270 nan 0.000 0.438 148 A N 1.348 124.211 122.820 0.072 0.000 2.313 148 A HA 0.326 4.646 4.320 0.000 0.000 0.261 148 A C 0.984 178.595 177.584 0.045 0.000 1.090 148 A CA 0.005 52.066 52.037 0.041 0.000 0.807 148 A CB 0.483 19.505 19.000 0.038 0.000 1.055 148 A HN 1.005 nan 8.150 nan 0.000 0.492 149 S N -0.415 115.298 115.700 0.022 0.000 2.481 149 S HA 0.178 4.648 4.470 0.000 0.000 0.231 149 S C 0.574 175.194 174.600 0.033 0.000 0.996 149 S CA 0.746 58.960 58.200 0.024 0.000 0.942 149 S CB -0.762 62.441 63.200 0.006 0.000 0.768 149 S HN 1.979 nan 8.310 nan 0.000 0.520 150 S N -0.992 114.735 115.700 0.045 0.000 2.595 150 S HA 0.555 5.025 4.470 0.000 0.000 0.270 150 S C -1.567 173.106 174.600 0.122 0.000 1.145 150 S CA -1.054 57.187 58.200 0.067 0.000 0.825 150 S CB 0.689 63.906 63.200 0.028 0.000 1.107 150 S HN 0.361 nan 8.310 nan 0.000 0.461 151 Y N 1.069 121.373 120.300 0.005 0.000 2.429 151 Y HA 0.721 5.270 4.550 -0.001 0.000 0.342 151 Y C -0.900 175.004 175.900 0.006 0.000 1.004 151 Y CA -0.197 57.909 58.100 0.010 0.000 1.075 151 Y CB 2.268 40.743 38.460 0.024 0.000 1.214 151 Y HN 0.954 nan 8.280 nan 0.000 0.455 152 T N 4.506 118.569 114.554 -0.819 0.000 2.937 152 T HA 0.708 5.058 4.350 0.000 0.000 0.297 152 T C -0.449 173.652 174.700 -0.999 0.000 0.991 152 T CA -0.645 61.038 62.100 -0.696 0.000 0.990 152 T CB 1.159 69.842 68.868 -0.309 0.000 0.991 152 T HN 0.911 nan 8.240 nan 0.000 0.440 153 A N 4.209 126.579 122.820 -0.749 0.000 2.520 153 A HA 0.528 4.849 4.320 0.000 0.000 0.235 153 A C -2.111 175.358 177.584 -0.193 0.000 1.065 153 A CA -0.884 50.945 52.037 -0.347 0.000 0.764 153 A CB -0.728 18.238 19.000 -0.056 0.000 1.002 153 A HN 0.589 nan 8.150 nan 0.000 0.502 154 P HA 0.146 nan 4.420 nan 0.000 0.268 154 P C -0.581 176.689 177.300 -0.051 0.000 1.205 154 P CA 0.001 63.077 63.100 -0.039 0.000 0.771 154 P CB 0.383 32.081 31.700 -0.003 0.000 0.858 155 Q N 3.597 123.376 119.800 -0.035 0.000 2.311 155 Q HA 0.154 4.495 4.340 0.000 0.000 0.272 155 Q C -1.993 173.974 176.000 -0.056 0.000 1.012 155 Q CA -1.571 54.211 55.803 -0.036 0.000 0.891 155 Q CB -0.389 28.341 28.738 -0.014 0.000 1.201 155 Q HN 0.346 nan 8.270 nan 0.000 0.391 156 P HA -0.074 nan 4.420 nan 0.000 0.265 156 P C 0.597 177.852 177.300 -0.074 0.000 1.187 156 P CA 0.908 63.954 63.100 -0.089 0.000 0.766 156 P CB 0.453 32.116 31.700 -0.061 0.000 0.820 157 G N 1.969 110.709 108.800 -0.101 0.000 2.199 157 G HA2 -0.240 3.720 3.960 0.000 0.000 0.254 157 G HA3 -0.240 3.720 3.960 0.000 0.000 0.254 157 G C 0.344 175.211 174.900 -0.054 0.000 0.982 157 G CA -0.045 45.014 45.100 -0.068 0.000 0.632 157 G HN 0.509 nan 8.290 nan 0.000 0.529 158 L N 0.860 122.055 121.223 -0.046 0.000 3.110 158 L HA 0.520 4.860 4.340 0.000 0.000 0.266 158 L C 1.423 178.333 176.870 0.067 0.000 1.257 158 L CA 0.086 54.947 54.840 0.033 0.000 1.038 158 L CB -0.114 41.988 42.059 0.071 0.000 1.395 158 L HN 1.031 nan 8.230 nan 0.000 0.566 159 G N 1.333 110.074 108.800 -0.098 0.000 2.782 159 G HA2 -0.211 3.749 3.960 0.000 0.000 0.228 159 G HA3 -0.211 3.749 3.960 0.000 0.000 0.228 159 G C -0.513 174.203 174.900 -0.307 0.000 1.372 159 G CA -0.709 44.196 45.100 -0.325 0.000 0.862 159 G HN 0.343 nan 8.290 nan 0.000 0.547 160 R N -1.477 118.716 120.500 -0.512 0.000 2.548 160 R HA 0.386 4.727 4.340 0.000 0.000 0.280 160 R C -1.245 174.927 176.300 -0.214 0.000 1.061 160 R CA -0.657 55.320 56.100 -0.205 0.000 0.915 160 R CB 1.572 31.795 30.300 -0.128 0.000 1.210 160 R HN 0.515 nan 8.270 nan 0.000 0.442 161 W N 1.517 122.884 121.300 0.111 0.000 2.376 161 W HA 0.615 5.277 4.660 0.004 0.000 0.322 161 W C 0.698 177.268 176.519 0.085 0.000 1.160 161 W CA 0.532 57.972 57.345 0.160 0.000 1.218 161 W CB 2.079 31.660 29.460 0.201 0.000 1.205 161 W HN 0.810 nan 8.180 nan 0.000 0.559 162 G N 3.510 112.500 108.800 0.316 0.000 2.402 162 G HA2 0.058 4.018 3.960 0.000 0.000 0.666 162 G HA3 0.058 4.018 3.960 0.000 0.000 0.666 162 G C -2.979 171.981 174.900 0.099 0.000 1.402 162 G CA -1.429 43.787 45.100 0.194 0.000 0.920 162 G HN 0.254 nan 8.290 nan 0.000 0.651 163 P HA 0.549 nan 4.420 nan 0.000 0.302 163 P C -0.102 177.218 177.300 0.034 0.000 1.307 163 P CA -0.104 63.020 63.100 0.041 0.000 0.754 163 P CB 0.863 32.556 31.700 -0.012 0.000 1.298 164 T N 0.815 115.390 114.554 0.035 0.000 2.845 164 T HA 0.387 4.737 4.350 0.000 0.000 0.288 164 T C 0.114 174.764 174.700 -0.083 0.000 0.980 164 T CA -0.190 61.921 62.100 0.017 0.000 1.071 164 T CB 0.036 68.998 68.868 0.156 0.000 0.941 164 T HN 0.131 nan 8.240 nan 0.000 0.487 165 I N 3.673 124.128 120.570 -0.192 0.000 2.328 165 I HA 0.293 4.463 4.170 0.000 0.000 0.287 165 I C 0.076 176.140 176.117 -0.087 0.000 1.012 165 I CA -1.001 60.144 61.300 -0.259 0.000 1.195 165 I CB 0.983 38.643 38.000 -0.567 0.000 1.350 165 I HN 0.505 nan 8.210 nan 0.000 0.464 166 D N 7.155 127.539 120.400 -0.027 0.000 2.304 166 D HA 0.552 5.192 4.640 0.000 0.000 0.250 166 D C 0.004 176.388 176.300 0.140 0.000 1.107 166 D CA 0.060 54.136 54.000 0.126 0.000 0.885 166 D CB 1.721 42.624 40.800 0.171 0.000 1.192 166 D HN 0.299 nan 8.370 nan 0.000 0.436 167 L N 2.824 124.214 121.223 0.278 0.000 2.333 167 L HA 0.371 4.711 4.340 0.000 0.000 0.263 167 L C -1.752 175.356 176.870 0.396 0.000 1.014 167 L CA -1.882 53.137 54.840 0.299 0.000 0.820 167 L CB 2.463 44.690 42.059 0.280 0.000 1.352 167 L HN 0.139 nan 8.230 nan 0.000 0.421 168 P HA 0.084 nan 4.420 nan 0.000 0.235 168 P C -0.222 177.322 177.300 0.408 0.000 1.177 168 P CA 0.728 64.079 63.100 0.418 0.000 0.785 168 P CB 0.240 32.204 31.700 0.440 0.000 0.885 169 I N -5.782 115.030 120.570 0.402 0.000 3.108 169 I HA 0.501 4.672 4.170 0.000 0.000 0.312 169 I C -0.727 175.520 176.117 0.217 0.000 1.095 169 I CA -1.761 59.730 61.300 0.320 0.000 1.000 169 I CB 2.291 40.400 38.000 0.182 0.000 1.229 169 I HN -0.525 nan 8.210 nan 0.000 0.454 170 V N 3.609 123.480 119.914 -0.071 0.000 2.389 170 V HA 0.269 4.390 4.120 0.000 0.000 0.264 170 V C -2.025 174.021 176.094 -0.080 0.000 1.049 170 V CA -1.220 60.956 62.300 -0.206 0.000 0.932 170 V CB 0.458 32.070 31.823 -0.351 0.000 1.011 170 V HN 0.596 nan 8.190 nan 0.000 0.475 171 P HA 0.200 nan 4.420 nan 0.000 0.252 171 P C 0.505 177.715 177.300 -0.149 0.000 1.727 171 P CA -0.070 63.005 63.100 -0.043 0.000 1.134 171 P CB 0.866 32.602 31.700 0.060 0.000 1.876 172 A N 2.431 125.123 122.820 -0.212 0.000 2.167 172 A HA 0.385 4.705 4.320 0.000 0.000 0.214 172 A C 1.082 178.412 177.584 -0.423 0.000 1.151 172 A CA 0.801 52.656 52.037 -0.303 0.000 0.735 172 A CB -0.048 18.761 19.000 -0.319 0.000 0.802 172 A HN 0.504 nan 8.150 nan 0.000 0.467 173 A N -1.637 120.823 122.820 -0.600 0.000 2.539 173 A HA 0.835 5.155 4.320 0.000 0.000 0.296 173 A C -0.483 176.527 177.584 -0.957 0.000 1.073 173 A CA 0.030 51.516 52.037 -0.917 0.000 0.700 173 A CB 1.192 19.275 19.000 -1.528 0.000 1.296 173 A HN 1.647 nan 8.150 nan 0.000 0.405 174 A N -0.349 122.033 122.820 -0.730 0.000 2.608 174 A HA 1.018 5.338 4.320 0.000 0.000 0.292 174 A C -0.678 176.813 177.584 -0.156 0.000 1.066 174 A CA 0.053 51.874 52.037 -0.360 0.000 0.676 174 A CB 0.919 19.839 19.000 -0.133 0.000 1.277 174 A HN 2.713 nan 8.150 nan 0.000 0.413 175 A N 0.607 123.422 122.820 -0.008 0.000 2.604 175 A HA 0.680 5.000 4.320 0.000 0.000 0.295 175 A C -1.263 176.339 177.584 0.030 0.000 1.067 175 A CA -0.505 51.569 52.037 0.060 0.000 0.683 175 A CB 0.729 19.822 19.000 0.156 0.000 1.281 175 A HN 0.899 nan 8.150 nan 0.000 0.407 176 I N 1.332 121.945 120.570 0.072 0.000 2.474 176 I HA 0.206 4.376 4.170 0.000 0.000 0.287 176 I C 0.372 176.481 176.117 -0.013 0.000 1.048 176 I CA 0.004 61.345 61.300 0.067 0.000 1.383 176 I CB 0.839 38.994 38.000 0.257 0.000 1.412 176 I HN 0.704 nan 8.210 nan 0.000 0.531 177 E N 7.825 127.985 120.200 -0.067 0.000 1.996 177 E HA 0.178 4.528 4.350 0.000 0.000 0.280 177 E C -1.756 174.665 176.600 -0.298 0.000 1.092 177 E CA -1.414 54.928 56.400 -0.095 0.000 0.862 177 E CB 0.698 30.395 29.700 -0.005 0.000 1.066 177 E HN 0.352 nan 8.360 nan 0.000 0.396 178 P HA -0.137 nan 4.420 nan 0.000 0.225 178 P C 1.389 178.232 177.300 -0.762 0.000 1.156 178 P CA 1.046 63.473 63.100 -1.122 0.000 0.787 178 P CB 0.219 30.875 31.700 -1.741 0.000 0.802 179 T N -4.110 110.076 114.554 -0.614 0.000 3.043 179 T HA -0.012 4.338 4.350 0.000 0.000 0.263 179 T C 1.707 176.281 174.700 -0.211 0.000 1.094 179 T CA 1.251 63.123 62.100 -0.380 0.000 1.127 179 T CB -0.771 67.919 68.868 -0.296 0.000 0.905 179 T HN 0.150 nan 8.240 nan 0.000 0.490 180 S N -0.226 115.362 115.700 -0.188 0.000 2.520 180 S HA 0.498 4.968 4.470 0.000 0.000 0.219 180 S C 1.948 176.482 174.600 -0.111 0.000 1.028 180 S CA 0.449 58.578 58.200 -0.119 0.000 0.921 180 S CB -0.193 62.956 63.200 -0.085 0.000 0.844 180 S HN 1.127 nan 8.310 nan 0.000 0.495 181 G N 1.855 110.585 108.800 -0.117 0.000 2.162 181 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 181 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 181 G C 0.128 174.971 174.900 -0.094 0.000 0.976 181 G CA 0.176 45.237 45.100 -0.065 0.000 0.655 181 G HN 0.601 nan 8.290 nan 0.000 0.533 182 R N -0.570 119.865 120.500 -0.108 0.000 2.560 182 R HA 0.514 4.854 4.340 0.000 0.000 0.270 182 R C 0.145 176.393 176.300 -0.087 0.000 1.074 182 R CA -0.530 55.495 56.100 -0.124 0.000 1.140 182 R CB 1.322 31.566 30.300 -0.092 0.000 1.073 182 R HN 0.070 nan 8.270 nan 0.000 0.527 183 V N 3.798 123.659 119.914 -0.089 0.000 2.406 183 V HA 0.146 4.266 4.120 0.000 0.000 0.272 183 V C -0.265 175.797 176.094 -0.054 0.000 1.043 183 V CA -0.595 61.626 62.300 -0.131 0.000 0.915 183 V CB 1.088 32.670 31.823 -0.401 0.000 0.988 183 V HN 0.425 nan 8.190 nan 0.000 0.466 184 L N 7.240 128.442 121.223 -0.037 0.000 2.289 184 L HA 0.716 5.056 4.340 0.000 0.000 0.285 184 L C -0.327 176.621 176.870 0.129 0.000 1.049 184 L CA 0.329 55.195 54.840 0.043 0.000 0.804 184 L CB 1.130 43.151 42.059 -0.063 0.000 1.195 184 L HN 0.659 nan 8.230 nan 0.000 0.428 185 M N 4.752 124.480 119.600 0.214 0.000 2.572 185 M HA 0.615 5.095 4.480 0.000 0.000 0.299 185 M C -1.647 174.874 176.300 0.370 0.000 1.205 185 M CA -0.330 55.067 55.300 0.161 0.000 0.876 185 M CB 2.243 34.919 32.600 0.126 0.000 1.728 185 M HN 0.736 nan 8.290 nan 0.000 0.458 186 W N -0.359 120.978 121.300 0.062 0.000 3.137 186 W HA 0.792 5.452 4.660 -0.001 0.000 0.324 186 W C -0.592 175.948 176.519 0.035 0.000 1.253 186 W CA -0.544 56.826 57.345 0.041 0.000 1.183 186 W CB 0.213 29.676 29.460 0.004 0.000 1.424 186 W HN 0.715 nan 8.180 nan 0.000 0.566 187 S N 0.668 116.526 115.700 0.262 0.000 3.064 187 S HA 0.720 5.190 4.470 0.000 0.000 0.170 187 S C 0.419 175.173 174.600 0.257 0.000 0.713 187 S CA 0.715 58.999 58.200 0.141 0.000 0.891 187 S CB 0.423 63.647 63.200 0.039 0.000 0.772 187 S HN 0.865 nan 8.310 nan 0.000 0.701 188 S N -0.861 114.939 115.700 0.168 0.000 3.497 188 S HA 0.346 4.817 4.470 0.000 0.000 0.319 188 S C 0.214 174.930 174.600 0.194 0.000 1.195 188 S CA 0.151 58.486 58.200 0.224 0.000 1.118 188 S CB -0.574 62.709 63.200 0.140 0.000 1.495 188 S HN 0.681 nan 8.310 nan 0.000 0.655 189 Y N 1.707 122.048 120.300 0.070 0.000 2.509 189 Y HA 0.493 5.043 4.550 0.001 0.000 0.293 189 Y C 0.738 176.657 175.900 0.032 0.000 1.133 189 Y CA 0.455 58.586 58.100 0.050 0.000 1.283 189 Y CB -0.166 38.326 38.460 0.053 0.000 1.001 189 Y HN 0.180 nan 8.280 nan 0.000 0.555 190 R N 0.874 121.065 120.500 -0.514 0.000 2.888 190 R HA 0.184 4.524 4.340 0.000 0.000 0.266 190 R C 0.753 176.889 176.300 -0.273 0.000 1.020 190 R CA -0.185 55.613 56.100 -0.504 0.000 0.963 190 R CB 0.746 30.578 30.300 -0.781 0.000 1.197 190 R HN 0.243 nan 8.270 nan 0.000 0.481 191 N N 0.458 118.979 118.700 -0.299 0.000 2.453 191 N HA -0.160 4.580 4.740 0.000 0.000 0.183 191 N C 0.307 175.758 175.510 -0.099 0.000 1.041 191 N CA 1.481 54.408 53.050 -0.205 0.000 0.900 191 N CB 0.036 38.236 38.487 -0.478 0.000 0.961 191 N HN 0.644 nan 8.380 nan 0.000 0.443 192 D N -1.984 118.321 120.400 -0.159 0.000 2.516 192 D HA 0.360 5.000 4.640 0.000 0.000 0.241 192 D C -0.283 175.919 176.300 -0.162 0.000 1.246 192 D CA -0.330 53.593 54.000 -0.129 0.000 0.808 192 D CB 0.060 40.876 40.800 0.026 0.000 1.147 192 D HN 0.299 nan 8.370 nan 0.000 0.527 193 A N -0.120 122.575 122.820 -0.208 0.000 2.594 193 A HA 0.588 4.908 4.320 0.000 0.000 0.295 193 A C -0.859 176.643 177.584 -0.137 0.000 1.071 193 A CA -0.817 51.098 52.037 -0.204 0.000 0.685 193 A CB 0.705 19.562 19.000 -0.239 0.000 1.285 193 A HN 0.144 nan 8.150 nan 0.000 0.405 194 F N -0.200 119.651 119.950 -0.165 0.000 2.778 194 F HA 0.515 5.042 4.527 0.000 0.000 0.314 194 F C 0.906 176.824 175.800 0.198 0.000 1.073 194 F CA -0.014 57.941 58.000 -0.075 0.000 1.218 194 F CB -0.178 38.337 39.000 -0.808 0.000 1.037 194 F HN 0.698 nan 8.300 nan 0.000 0.594 195 G N 0.461 108.751 108.800 -0.851 0.000 2.403 195 G HA2 0.388 4.348 3.960 0.000 0.000 0.259 195 G HA3 0.388 4.348 3.960 0.000 0.000 0.259 195 G C 0.973 175.783 174.900 -0.151 0.000 1.244 195 G CA 0.042 44.771 45.100 -0.619 0.000 0.849 195 G HN 1.252 nan 8.290 nan 0.000 0.532 196 G N 0.450 109.159 108.800 -0.152 0.000 2.159 196 G HA2 -0.221 3.739 3.960 0.000 0.000 0.256 196 G HA3 -0.221 3.739 3.960 0.000 0.000 0.256 196 G C 0.775 175.391 174.900 -0.474 0.000 0.977 196 G CA 0.652 45.656 45.100 -0.160 0.000 0.652 196 G HN 1.514 nan 8.290 nan 0.000 0.531 197 S N 1.089 116.370 115.700 -0.699 0.000 2.549 197 S HA 0.452 4.922 4.470 0.000 0.000 0.286 197 S C 0.063 174.349 174.600 -0.522 0.000 1.314 197 S CA -0.007 57.480 58.200 -1.188 0.000 1.062 197 S CB 1.078 63.969 63.200 -0.515 0.000 0.865 197 S HN 0.308 nan 8.310 nan 0.000 0.498 198 P HA 0.253 nan 4.420 nan 0.000 0.261 198 P C 0.705 177.951 177.300 -0.090 0.000 1.268 198 P CA 0.375 63.368 63.100 -0.177 0.000 0.833 198 P CB -0.628 31.003 31.700 -0.115 0.000 1.231 199 G N 0.035 108.786 108.800 -0.082 0.000 2.860 199 G HA2 0.074 4.034 3.960 0.000 0.000 0.553 199 G HA3 0.074 4.034 3.960 0.000 0.000 0.553 199 G C 0.554 175.481 174.900 0.045 0.000 1.439 199 G CA -0.063 45.050 45.100 0.022 0.000 0.879 199 G HN 0.651 nan 8.290 nan 0.000 0.545 200 G N -1.439 107.407 108.800 0.078 0.000 2.199 200 G HA2 0.054 4.014 3.960 0.000 0.000 0.254 200 G HA3 0.054 4.014 3.960 0.000 0.000 0.254 200 G C 0.459 175.395 174.900 0.060 0.000 0.982 200 G CA 1.230 46.370 45.100 0.066 0.000 0.632 200 G HN 2.359 nan 8.290 nan 0.000 0.529 201 I N 0.387 121.002 120.570 0.075 0.000 2.656 201 I HA 0.695 4.866 4.170 0.000 0.000 0.292 201 I C -1.161 174.982 176.117 0.044 0.000 1.144 201 I CA -0.579 60.752 61.300 0.053 0.000 1.038 201 I CB 2.169 40.227 38.000 0.096 0.000 1.244 201 I HN -0.009 nan 8.210 nan 0.000 0.420 202 T N 7.589 122.108 114.554 -0.058 0.000 2.879 202 T HA 0.473 4.823 4.350 0.000 0.000 0.290 202 T C -0.749 173.921 174.700 -0.050 0.000 0.993 202 T CA -0.407 61.646 62.100 -0.078 0.000 0.975 202 T CB 1.380 70.064 68.868 -0.308 0.000 0.981 202 T HN 0.293 nan 8.240 nan 0.000 0.439 203 L N 4.340 125.592 121.223 0.049 0.000 2.313 203 L HA 0.482 4.822 4.340 0.000 0.000 0.282 203 L C 1.119 178.072 176.870 0.139 0.000 1.092 203 L CA 0.260 55.154 54.840 0.090 0.000 0.831 203 L CB 0.538 42.663 42.059 0.109 0.000 1.159 203 L HN 0.874 nan 8.230 nan 0.000 0.442 204 T N -0.132 114.504 114.554 0.136 0.000 2.926 204 T HA 0.849 5.199 4.350 0.000 0.000 0.289 204 T C -0.303 174.528 174.700 0.219 0.000 1.054 204 T CA -0.787 61.443 62.100 0.216 0.000 1.015 204 T CB 1.922 70.907 68.868 0.195 0.000 1.167 204 T HN 0.466 nan 8.240 nan 0.000 0.526 205 S N 0.022 115.866 115.700 0.239 0.000 2.550 205 S HA 0.733 5.204 4.470 0.000 0.000 0.270 205 S C -1.239 173.485 174.600 0.206 0.000 1.145 205 S CA -0.435 57.896 58.200 0.219 0.000 0.852 205 S CB 1.365 64.704 63.200 0.232 0.000 1.119 205 S HN 1.544 nan 8.310 nan 0.000 0.465 206 S N 2.349 118.162 115.700 0.189 0.000 2.569 206 S HA 0.779 5.249 4.470 0.000 0.000 0.280 206 S C -1.657 173.080 174.600 0.229 0.000 1.111 206 S CA -0.728 57.570 58.200 0.164 0.000 0.887 206 S CB 1.324 64.585 63.200 0.103 0.000 1.095 206 S HN 0.859 nan 8.310 nan 0.000 0.476 207 W N 2.570 123.870 121.300 -0.001 0.000 2.656 207 W HA 0.591 5.253 4.660 0.003 0.000 0.327 207 W C -1.530 174.977 176.519 -0.019 0.000 1.041 207 W CA -0.567 56.787 57.345 0.014 0.000 1.229 207 W CB 1.628 31.127 29.460 0.065 0.000 1.397 207 W HN 0.757 nan 8.180 nan 0.000 0.479 208 D N 7.555 127.593 120.400 -0.603 0.000 2.427 208 D HA 0.291 4.931 4.640 0.000 0.000 0.226 208 D C -1.655 173.988 176.300 -1.095 0.000 1.076 208 D CA -2.338 51.270 54.000 -0.653 0.000 0.849 208 D CB 2.302 42.911 40.800 -0.318 0.000 1.052 208 D HN 0.106 nan 8.370 nan 0.000 0.515 209 P HA -0.145 nan 4.420 nan 0.000 0.219 209 P C 1.298 178.320 177.300 -0.462 0.000 1.146 209 P CA 1.002 63.438 63.100 -1.106 0.000 0.808 209 P CB 0.252 31.581 31.700 -0.619 0.000 0.779 210 S N -1.705 113.790 115.700 -0.341 0.000 2.414 210 S HA -0.072 4.398 4.470 0.000 0.000 0.227 210 S C 1.809 176.324 174.600 -0.141 0.000 1.022 210 S CA 1.594 59.686 58.200 -0.180 0.000 0.958 210 S CB -1.629 61.490 63.200 -0.136 0.000 0.797 210 S HN 0.278 nan 8.310 nan 0.000 0.493 211 T N -3.700 110.748 114.554 -0.177 0.000 2.990 211 T HA 0.504 4.854 4.350 0.000 0.000 0.250 211 T C 1.670 176.324 174.700 -0.075 0.000 1.041 211 T CA 0.751 62.789 62.100 -0.104 0.000 1.010 211 T CB -0.120 68.694 68.868 -0.089 0.000 1.003 211 T HN 1.186 nan 8.240 nan 0.000 0.499 212 G N 1.771 110.490 108.800 -0.135 0.000 2.168 212 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 212 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 212 G C 0.071 175.041 174.900 0.117 0.000 0.977 212 G CA 0.287 45.425 45.100 0.063 0.000 0.659 212 G HN 0.682 nan 8.290 nan 0.000 0.533 213 I N 0.882 121.449 120.570 -0.005 0.000 2.441 213 I HA 0.337 4.507 4.170 0.000 0.000 0.287 213 I C 0.531 176.731 176.117 0.139 0.000 1.049 213 I CA -0.520 60.812 61.300 0.052 0.000 1.381 213 I CB 1.455 39.460 38.000 0.008 0.000 1.409 213 I HN -0.126 nan 8.210 nan 0.000 0.523 214 V N 6.416 126.441 119.914 0.185 0.000 2.347 214 V HA 0.322 4.443 4.120 0.000 0.000 0.280 214 V C 0.228 176.412 176.094 0.149 0.000 1.021 214 V CA -0.255 62.179 62.300 0.223 0.000 0.847 214 V CB 1.341 33.297 31.823 0.221 0.000 0.990 214 V HN 0.927 nan 8.190 nan 0.000 0.444 215 S N 3.302 119.089 115.700 0.145 0.000 2.759 215 S HA 0.917 5.387 4.470 0.000 0.000 0.310 215 S C -1.143 173.548 174.600 0.151 0.000 1.123 215 S CA -0.879 57.397 58.200 0.126 0.000 0.959 215 S CB 2.373 65.632 63.200 0.099 0.000 1.172 215 S HN 0.768 nan 8.310 nan 0.000 0.539 216 D N -1.100 119.384 120.400 0.141 0.000 2.552 216 D HA 0.634 5.274 4.640 0.000 0.000 0.239 216 D C -0.886 175.499 176.300 0.142 0.000 1.139 216 D CA -0.727 53.369 54.000 0.159 0.000 0.914 216 D CB 1.251 42.159 40.800 0.181 0.000 1.461 216 D HN 0.708 nan 8.370 nan 0.000 0.462 217 R N -0.073 120.514 120.500 0.146 0.000 2.536 217 R HA 0.464 4.804 4.340 0.000 0.000 0.269 217 R C -1.557 174.796 176.300 0.088 0.000 1.113 217 R CA -0.480 55.694 56.100 0.124 0.000 0.948 217 R CB 1.847 32.242 30.300 0.157 0.000 1.237 217 R HN 0.574 nan 8.270 nan 0.000 0.441 218 T N 3.475 118.069 114.554 0.067 0.000 2.744 218 T HA 0.303 4.654 4.350 0.000 0.000 0.291 218 T C -0.403 174.281 174.700 -0.025 0.000 0.957 218 T CA -0.334 61.784 62.100 0.030 0.000 1.002 218 T CB 1.240 70.142 68.868 0.057 0.000 0.919 218 T HN 0.224 nan 8.240 nan 0.000 0.468 219 V N 4.549 124.385 119.914 -0.131 0.000 2.347 219 V HA 0.402 4.522 4.120 0.000 0.000 0.280 219 V C 1.201 177.204 176.094 -0.152 0.000 1.021 219 V CA -0.494 61.670 62.300 -0.227 0.000 0.847 219 V CB 1.068 32.499 31.823 -0.653 0.000 0.990 219 V HN 1.146 nan 8.190 nan 0.000 0.444 220 T N 0.422 114.938 114.554 -0.063 0.000 2.969 220 T HA 0.013 4.363 4.350 0.000 0.000 0.258 220 T C 1.453 176.158 174.700 0.008 0.000 0.962 220 T CA 0.708 62.797 62.100 -0.017 0.000 0.903 220 T CB 0.609 69.486 68.868 0.015 0.000 1.177 220 T HN 0.262 nan 8.240 nan 0.000 0.511 221 V N 3.650 123.575 119.914 0.019 0.000 2.594 221 V HA -0.087 4.033 4.120 0.000 0.000 0.253 221 V C 2.457 178.590 176.094 0.065 0.000 1.069 221 V CA 2.513 64.846 62.300 0.054 0.000 1.082 221 V CB -0.731 31.143 31.823 0.085 0.000 0.680 221 V HN 0.867 nan 8.190 nan 0.000 0.469 222 T N -3.565 111.022 114.554 0.055 0.000 3.086 222 T HA 0.142 4.492 4.350 0.000 0.000 0.250 222 T C 0.793 175.543 174.700 0.084 0.000 1.074 222 T CA 0.126 62.280 62.100 0.089 0.000 0.988 222 T CB -0.292 68.652 68.868 0.127 0.000 0.988 222 T HN 0.572 nan 8.240 nan 0.000 0.530 223 K N 1.114 121.550 120.400 0.059 0.000 3.257 223 K HA -0.233 4.087 4.320 0.000 0.000 0.270 223 K C -0.402 176.262 176.600 0.106 0.000 0.984 223 K CA 0.636 56.958 56.287 0.060 0.000 0.739 223 K CB -2.235 30.290 32.500 0.041 0.000 1.351 223 K HN 0.865 nan 8.250 nan 0.000 0.463 224 H N 0.143 119.191 119.070 -0.036 0.000 3.096 224 H HA 0.121 4.678 4.556 0.001 0.000 0.335 224 H C -1.453 173.849 175.328 -0.044 0.000 0.990 224 H CA -0.990 55.037 56.048 -0.035 0.000 1.393 224 H CB 1.241 30.968 29.762 -0.059 0.000 1.742 224 H HN 0.177 nan 8.280 nan 0.000 0.501 225 D N 5.740 126.280 120.400 0.232 0.000 2.393 225 D HA 0.065 4.705 4.640 0.000 0.000 0.232 225 D C 0.486 176.852 176.300 0.110 0.000 1.192 225 D CA -0.243 53.849 54.000 0.154 0.000 0.882 225 D CB 0.786 41.729 40.800 0.238 0.000 1.038 225 D HN 0.655 nan 8.370 nan 0.000 0.499 226 M N 3.710 123.210 119.600 -0.166 0.000 2.581 226 M HA 0.099 4.580 4.480 0.000 0.000 0.224 226 M C 0.311 176.763 176.300 0.254 0.000 1.171 226 M CA -0.505 54.620 55.300 -0.292 0.000 0.993 226 M CB -0.047 32.104 32.600 -0.749 0.000 1.685 226 M HN 0.285 nan 8.290 nan 0.000 0.479 227 F N 0.158 120.213 119.950 0.174 0.000 2.529 227 F HA 0.043 4.570 4.527 -0.000 0.000 0.365 227 F C 0.900 176.715 175.800 0.024 0.000 1.102 227 F CA 0.036 58.111 58.000 0.125 0.000 1.271 227 F CB 0.353 39.433 39.000 0.134 0.000 1.120 227 F HN 0.275 nan 8.300 nan 0.000 0.579 228 C N 4.822 123.549 119.300 -0.954 0.000 4.533 228 C HA -0.121 4.339 4.460 0.000 0.000 0.304 228 C C -2.378 172.383 174.990 -0.382 0.000 1.316 228 C CA -0.076 58.335 59.018 -1.011 0.000 2.053 228 C CB -2.891 24.045 27.740 -1.339 0.000 1.242 228 C HN 0.722 nan 8.230 nan 0.000 0.758 229 P HA 0.554 nan 4.420 nan 0.000 0.287 229 P C 0.155 177.449 177.300 -0.009 0.000 1.292 229 P CA 0.315 63.420 63.100 0.008 0.000 0.879 229 P CB 0.896 32.694 31.700 0.163 0.000 1.214 230 G N 0.537 109.359 108.800 0.036 0.000 2.483 230 G HA2 0.551 4.511 3.960 0.000 0.000 0.248 230 G HA3 0.551 4.511 3.960 0.000 0.000 0.248 230 G C -0.511 174.467 174.900 0.130 0.000 1.248 230 G CA -0.548 44.584 45.100 0.053 0.000 0.838 230 G HN 0.418 nan 8.290 nan 0.000 0.566 231 I N 0.494 121.142 120.570 0.129 0.000 2.534 231 I HA 0.395 4.565 4.170 0.000 0.000 0.288 231 I C -0.432 175.775 176.117 0.149 0.000 1.077 231 I CA -0.502 60.907 61.300 0.182 0.000 1.051 231 I CB 2.400 40.530 38.000 0.218 0.000 1.234 231 I HN 0.358 nan 8.210 nan 0.000 0.425 232 S N 5.801 121.599 115.700 0.164 0.000 2.546 232 S HA 0.535 5.005 4.470 0.000 0.000 0.274 232 S C -0.746 173.943 174.600 0.148 0.000 1.121 232 S CA -0.683 57.606 58.200 0.148 0.000 0.887 232 S CB 2.453 65.751 63.200 0.164 0.000 1.094 232 S HN 0.679 nan 8.310 nan 0.000 0.474 233 M N 3.826 123.508 119.600 0.136 0.000 2.084 233 M HA 0.301 4.781 4.480 0.000 0.000 0.351 233 M C -0.625 175.753 176.300 0.131 0.000 1.240 233 M CA -0.484 54.899 55.300 0.137 0.000 1.083 233 M CB 0.062 32.746 32.600 0.139 0.000 1.593 233 M HN 0.772 nan 8.290 nan 0.000 0.463 234 D N 3.691 124.172 120.400 0.134 0.000 2.433 234 D HA 0.246 4.886 4.640 0.000 0.000 0.255 234 D C 1.125 177.477 176.300 0.085 0.000 1.226 234 D CA -0.263 53.817 54.000 0.132 0.000 1.015 234 D CB 0.296 41.208 40.800 0.186 0.000 1.091 234 D HN 0.669 nan 8.370 nan 0.000 0.527 235 G N -1.054 107.784 108.800 0.065 0.000 2.534 235 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 235 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 235 G C 0.830 175.721 174.900 -0.014 0.000 1.128 235 G CA 0.050 45.168 45.100 0.030 0.000 0.784 235 G HN 0.431 nan 8.290 nan 0.000 0.542 236 N N 0.450 119.148 118.700 -0.003 0.000 2.276 236 N HA 0.208 4.948 4.740 0.000 0.000 0.212 236 N C 1.452 176.951 175.510 -0.019 0.000 1.127 236 N CA 0.529 53.566 53.050 -0.021 0.000 0.834 236 N CB 0.297 38.781 38.487 -0.005 0.000 1.014 236 N HN 0.294 nan 8.380 nan 0.000 0.491 237 G N 0.487 109.271 108.800 -0.027 0.000 2.160 237 G HA2 -0.285 3.675 3.960 0.000 0.000 0.251 237 G HA3 -0.285 3.675 3.960 0.000 0.000 0.251 237 G C -0.167 174.819 174.900 0.143 0.000 1.008 237 G CA 0.011 45.143 45.100 0.053 0.000 0.724 237 G HN 0.406 nan 8.290 nan 0.000 0.514 238 Q N -0.840 119.010 119.800 0.083 0.000 2.342 238 Q HA 0.631 4.972 4.340 0.000 0.000 0.267 238 Q C 0.226 176.275 176.000 0.082 0.000 1.038 238 Q CA -0.929 54.900 55.803 0.044 0.000 0.832 238 Q CB 1.930 30.682 28.738 0.023 0.000 1.323 238 Q HN 0.396 nan 8.270 nan 0.000 0.448 239 I N 2.306 122.920 120.570 0.073 0.000 2.337 239 I HA 0.132 4.303 4.170 0.000 0.000 0.291 239 I C -0.337 175.839 176.117 0.099 0.000 1.046 239 I CA -0.586 60.782 61.300 0.114 0.000 1.324 239 I CB 0.807 38.894 38.000 0.145 0.000 1.409 239 I HN 0.220 nan 8.210 nan 0.000 0.494 240 V N 8.013 127.993 119.914 0.109 0.000 2.368 240 V HA 0.198 4.318 4.120 0.000 0.000 0.266 240 V C 0.204 176.395 176.094 0.161 0.000 1.045 240 V CA -0.476 61.867 62.300 0.072 0.000 0.899 240 V CB 1.240 33.047 31.823 -0.027 0.000 1.006 240 V HN 0.402 nan 8.190 nan 0.000 0.470 241 V N 4.916 124.949 119.914 0.199 0.000 2.384 241 V HA 0.559 4.680 4.120 0.000 0.000 0.287 241 V C 0.306 176.571 176.094 0.285 0.000 1.020 241 V CA -0.400 62.038 62.300 0.230 0.000 0.850 241 V CB 1.902 33.816 31.823 0.151 0.000 0.987 241 V HN 0.972 nan 8.190 nan 0.000 0.436 242 T N 1.407 116.105 114.554 0.241 0.000 2.824 242 T HA 0.787 5.137 4.350 0.000 0.000 0.282 242 T C 0.476 175.268 174.700 0.155 0.000 0.993 242 T CA 0.135 62.334 62.100 0.165 0.000 0.967 242 T CB 1.499 70.371 68.868 0.006 0.000 0.960 242 T HN 1.626 nan 8.240 nan 0.000 0.441 243 G N 2.212 111.073 108.800 0.101 0.000 2.552 243 G HA2 0.252 4.212 3.960 0.000 0.000 0.265 243 G HA3 0.252 4.212 3.960 0.000 0.000 0.265 243 G C 0.590 175.657 174.900 0.278 0.000 1.234 243 G CA 0.660 45.807 45.100 0.078 0.000 0.944 243 G HN 2.573 nan 8.290 nan 0.000 0.568 244 G N -1.089 107.841 108.800 0.216 0.000 2.520 244 G HA2 -0.134 3.827 3.960 0.000 0.000 0.248 244 G HA3 -0.134 3.827 3.960 0.000 0.000 0.248 244 G C 0.896 176.071 174.900 0.458 0.000 1.161 244 G CA 0.855 46.136 45.100 0.302 0.000 0.946 244 G HN 1.773 nan 8.290 nan 0.000 0.565 245 N N 1.780 120.794 118.700 0.523 0.000 2.205 245 N HA 0.007 4.747 4.740 0.000 0.000 0.186 245 N C 0.344 176.029 175.510 0.292 0.000 1.015 245 N CA 1.627 54.976 53.050 0.499 0.000 0.862 245 N CB -0.068 38.737 38.487 0.530 0.000 0.986 245 N HN 0.508 nan 8.380 nan 0.000 0.429 246 D N -0.312 120.255 120.400 0.279 0.000 2.473 246 D HA 0.249 4.889 4.640 0.000 0.000 0.226 246 D C 0.341 176.657 176.300 0.027 0.000 1.089 246 D CA -0.160 53.914 54.000 0.123 0.000 0.883 246 D CB 1.329 42.184 40.800 0.091 0.000 1.029 246 D HN 0.065 nan 8.370 nan 0.000 0.517 247 A N 2.726 125.562 122.820 0.026 0.000 2.067 247 A HA -0.144 4.176 4.320 0.000 0.000 0.219 247 A C 1.834 179.369 177.584 -0.081 0.000 1.158 247 A CA 1.144 53.184 52.037 0.004 0.000 0.661 247 A CB 0.094 19.097 19.000 0.004 0.000 0.801 247 A HN 0.285 nan 8.150 nan 0.000 0.452 248 K N -0.627 119.705 120.400 -0.114 0.000 2.358 248 K HA 0.083 4.403 4.320 0.000 0.000 0.197 248 K C -0.287 176.182 176.600 -0.218 0.000 1.025 248 K CA -0.063 56.132 56.287 -0.153 0.000 1.104 248 K CB 0.256 32.699 32.500 -0.096 0.000 0.855 248 K HN 0.125 nan 8.250 nan 0.000 0.531 249 K N 0.867 121.066 120.400 -0.335 0.000 2.118 249 K HA 0.213 4.533 4.320 0.000 0.000 0.264 249 K C -0.397 175.964 176.600 -0.397 0.000 1.000 249 K CA -0.167 55.843 56.287 -0.462 0.000 0.929 249 K CB 1.723 33.731 32.500 -0.821 0.000 1.021 249 K HN -0.173 nan 8.250 nan 0.000 0.463 250 T N 0.905 115.387 114.554 -0.120 0.000 2.812 250 T HA 0.350 4.701 4.350 0.000 0.000 0.282 250 T C -0.482 174.339 174.700 0.202 0.000 0.990 250 T CA -0.612 61.551 62.100 0.104 0.000 0.960 250 T CB 1.132 70.142 68.868 0.237 0.000 0.948 250 T HN 0.332 nan 8.240 nan 0.000 0.438 251 S N 2.838 118.744 115.700 0.344 0.000 2.501 251 S HA 0.650 5.121 4.470 0.000 0.000 0.301 251 S C -0.578 174.214 174.600 0.321 0.000 1.096 251 S CA -0.839 57.573 58.200 0.354 0.000 1.063 251 S CB 0.817 64.230 63.200 0.356 0.000 1.042 251 S HN 0.486 nan 8.310 nan 0.000 0.494 252 L N 3.137 124.533 121.223 0.288 0.000 2.305 252 L HA 0.470 4.810 4.340 0.000 0.000 0.284 252 L C -1.133 175.735 176.870 -0.004 0.000 1.013 252 L CA -0.832 54.087 54.840 0.133 0.000 0.819 252 L CB 0.878 42.983 42.059 0.078 0.000 1.227 252 L HN 0.678 nan 8.230 nan 0.000 0.417 253 Y N 2.469 122.517 120.300 -0.420 0.000 2.335 253 Y HA 0.294 4.843 4.550 -0.001 0.000 0.339 253 Y C -0.458 175.180 175.900 -0.437 0.000 0.987 253 Y CA -0.678 56.896 58.100 -0.877 0.000 1.140 253 Y CB 1.364 38.925 38.460 -1.497 0.000 1.173 253 Y HN 0.561 nan 8.280 nan 0.000 0.486 254 D N 3.641 123.361 120.400 -1.133 0.000 2.373 254 D HA 0.161 4.802 4.640 0.000 0.000 0.227 254 D C 0.745 176.398 176.300 -1.078 0.000 1.091 254 D CA 0.008 53.543 54.000 -0.775 0.000 0.840 254 D CB 1.503 42.056 40.800 -0.413 0.000 1.060 254 D HN 0.590 nan 8.370 nan 0.000 0.502 255 S N 2.396 117.672 115.700 -0.707 0.000 2.368 255 S HA -0.199 4.271 4.470 0.000 0.000 0.225 255 S C 2.070 176.505 174.600 -0.276 0.000 1.030 255 S CA 1.845 59.808 58.200 -0.395 0.000 0.999 255 S CB -0.274 62.795 63.200 -0.218 0.000 0.844 255 S HN 0.622 nan 8.310 nan 0.000 0.459 256 S N 1.205 116.778 115.700 -0.211 0.000 2.370 256 S HA -0.109 4.361 4.470 0.000 0.000 0.226 256 S C 1.931 176.454 174.600 -0.127 0.000 1.033 256 S CA 1.735 59.858 58.200 -0.129 0.000 1.011 256 S CB -0.862 62.303 63.200 -0.059 0.000 0.852 256 S HN 0.710 nan 8.310 nan 0.000 0.457 257 S N 0.225 115.822 115.700 -0.171 0.000 2.556 257 S HA 0.160 4.630 4.470 0.000 0.000 0.216 257 S C 0.433 174.950 174.600 -0.139 0.000 0.970 257 S CA 0.575 58.695 58.200 -0.133 0.000 0.912 257 S CB -0.534 62.596 63.200 -0.117 0.000 0.790 257 S HN 0.469 nan 8.310 nan 0.000 0.504 258 D N 1.703 121.972 120.400 -0.218 0.000 2.686 258 D HA -0.163 4.477 4.640 0.000 0.000 0.235 258 D C -0.224 176.030 176.300 -0.077 0.000 1.160 258 D CA 1.015 54.944 54.000 -0.119 0.000 0.645 258 D CB -1.464 39.356 40.800 0.034 0.000 1.039 258 D HN 0.721 nan 8.370 nan 0.000 0.423 259 S N -1.383 114.145 115.700 -0.285 0.000 2.570 259 S HA 0.758 5.229 4.470 0.000 0.000 0.286 259 S C -0.572 173.906 174.600 -0.202 0.000 1.099 259 S CA -1.092 57.051 58.200 -0.095 0.000 0.913 259 S CB 1.109 64.284 63.200 -0.042 0.000 1.085 259 S HN 0.217 nan 8.310 nan 0.000 0.480 260 W N 1.233 122.563 121.300 0.049 0.000 2.390 260 W HA 0.682 5.342 4.660 0.001 0.000 0.312 260 W C -0.437 176.097 176.519 0.025 0.000 1.123 260 W CA -0.667 56.714 57.345 0.059 0.000 1.202 260 W CB 0.974 30.478 29.460 0.073 0.000 1.251 260 W HN 0.517 nan 8.180 nan 0.000 0.511 261 I N 5.169 125.875 120.570 0.227 0.000 2.465 261 I HA 0.315 4.485 4.170 0.000 0.000 0.291 261 I C -2.131 174.093 176.117 0.177 0.000 1.014 261 I CA -2.612 58.779 61.300 0.152 0.000 1.093 261 I CB 1.824 39.869 38.000 0.075 0.000 1.267 261 I HN 0.007 nan 8.210 nan 0.000 0.431 262 P HA 0.070 nan 4.420 nan 0.000 0.265 262 P C -0.088 177.294 177.300 0.137 0.000 1.193 262 P CA 0.082 63.265 63.100 0.138 0.000 0.765 262 P CB 0.587 32.350 31.700 0.105 0.000 0.823 263 G N 3.343 112.231 108.800 0.147 0.000 2.667 263 G HA2 0.623 4.583 3.960 0.000 0.000 0.310 263 G HA3 0.623 4.583 3.960 0.000 0.000 0.310 263 G C -2.738 172.274 174.900 0.187 0.000 1.259 263 G CA -1.674 43.523 45.100 0.162 0.000 1.019 263 G HN 0.297 nan 8.290 nan 0.000 0.496 264 P HA 0.180 nan 4.420 nan 0.000 0.271 264 P C -0.843 176.646 177.300 0.313 0.000 1.218 264 P CA -0.347 62.927 63.100 0.291 0.000 0.780 264 P CB 1.009 32.934 31.700 0.375 0.000 0.901 265 D N 2.035 122.536 120.400 0.169 0.000 2.472 265 D HA 0.062 4.702 4.640 0.000 0.000 0.237 265 D C 0.935 177.239 176.300 0.007 0.000 1.141 265 D CA 0.601 54.628 54.000 0.046 0.000 0.875 265 D CB 0.155 40.960 40.800 0.007 0.000 1.192 265 D HN 0.281 nan 8.370 nan 0.000 0.450 266 M N 1.774 121.168 119.600 -0.344 0.000 2.207 266 M HA -0.030 4.450 4.480 0.000 0.000 0.311 266 M C 1.554 177.712 176.300 -0.237 0.000 1.127 266 M CA -0.188 54.704 55.300 -0.680 0.000 1.181 266 M CB 0.536 32.591 32.600 -0.908 0.000 1.409 266 M HN 0.252 nan 8.290 nan 0.000 0.461 267 Q N 0.455 120.168 119.800 -0.144 0.000 2.172 267 Q HA 0.076 4.417 4.340 0.000 0.000 0.200 267 Q C -0.110 175.866 176.000 -0.040 0.000 0.964 267 Q CA 0.914 56.705 55.803 -0.021 0.000 0.855 267 Q CB 0.026 28.794 28.738 0.051 0.000 0.918 267 Q HN 0.514 nan 8.270 nan 0.000 0.444 268 V N 0.732 120.588 119.914 -0.097 0.000 2.540 268 V HA 0.538 4.658 4.120 0.000 0.000 0.302 268 V C -0.448 175.586 176.094 -0.100 0.000 1.035 268 V CA -1.139 61.141 62.300 -0.032 0.000 0.873 268 V CB 1.614 33.439 31.823 0.004 0.000 0.992 268 V HN 0.120 nan 8.190 nan 0.000 0.428 269 A N 5.878 128.684 122.820 -0.023 0.000 2.450 269 A HA 0.748 5.068 4.320 0.000 0.000 0.255 269 A C 0.202 177.726 177.584 -0.099 0.000 1.096 269 A CA -0.039 51.964 52.037 -0.058 0.000 0.778 269 A CB 0.174 19.175 19.000 0.002 0.000 1.031 269 A HN 0.884 nan 8.150 nan 0.000 0.494 270 R N 0.828 121.261 120.500 -0.113 0.000 2.707 270 R HA 0.677 5.017 4.340 0.000 0.000 0.272 270 R C -0.351 175.935 176.300 -0.024 0.000 1.011 270 R CA -0.458 55.569 56.100 -0.121 0.000 0.893 270 R CB 2.651 32.846 30.300 -0.175 0.000 1.233 270 R HN 0.951 nan 8.270 nan 0.000 0.464 271 G N 0.328 109.140 108.800 0.020 0.000 2.719 271 G HA2 0.466 4.426 3.960 0.000 0.000 0.298 271 G HA3 0.466 4.426 3.960 0.000 0.000 0.298 271 G C -1.049 173.919 174.900 0.113 0.000 1.411 271 G CA -0.353 44.845 45.100 0.164 0.000 0.991 271 G HN 0.579 nan 8.290 nan 0.000 0.509 272 Y N -0.917 119.218 120.300 -0.274 0.000 4.881 272 Y HA -0.227 4.323 4.550 0.001 0.000 0.241 272 Y C 1.608 177.315 175.900 -0.321 0.000 0.985 272 Y CA 0.458 58.305 58.100 -0.421 0.000 1.976 272 Y CB -2.023 36.085 38.460 -0.587 0.000 1.528 272 Y HN 0.844 nan 8.280 nan 0.000 0.581 273 Q N 0.692 120.451 119.800 -0.068 0.000 2.417 273 Q HA 0.443 4.783 4.340 0.000 0.000 0.241 273 Q C 0.063 176.036 176.000 -0.045 0.000 1.008 273 Q CA 0.183 55.928 55.803 -0.096 0.000 0.901 273 Q CB 1.498 30.156 28.738 -0.132 0.000 1.259 273 Q HN 0.307 nan 8.270 nan 0.000 0.489 274 S N 1.202 116.880 115.700 -0.038 0.000 2.541 274 S HA 0.494 4.964 4.470 0.000 0.000 0.283 274 S C -0.476 174.118 174.600 -0.011 0.000 1.196 274 S CA -0.505 57.692 58.200 -0.004 0.000 1.062 274 S CB 1.203 64.410 63.200 0.012 0.000 1.009 274 S HN 0.748 nan 8.310 nan 0.000 0.502 275 S N 0.985 116.708 115.700 0.038 0.000 2.600 275 S HA 0.913 5.383 4.470 0.000 0.000 0.300 275 S C -0.864 173.816 174.600 0.134 0.000 1.087 275 S CA -0.953 57.306 58.200 0.099 0.000 0.965 275 S CB 1.804 65.098 63.200 0.156 0.000 1.089 275 S HN 0.945 nan 8.310 nan 0.000 0.496 276 A N 1.505 124.455 122.820 0.216 0.000 2.408 276 A HA 0.684 5.005 4.320 0.000 0.000 0.295 276 A C -0.080 177.651 177.584 0.246 0.000 1.040 276 A CA -0.761 51.400 52.037 0.207 0.000 0.707 276 A CB 0.939 20.070 19.000 0.219 0.000 1.235 276 A HN 0.795 nan 8.150 nan 0.000 0.418 277 T N 3.379 118.054 114.554 0.202 0.000 2.940 277 T HA 0.367 4.717 4.350 0.000 0.000 0.309 277 T C 0.553 175.379 174.700 0.210 0.000 1.056 277 T CA 0.753 62.971 62.100 0.197 0.000 1.137 277 T CB 0.015 68.983 68.868 0.166 0.000 0.976 277 T HN 0.592 nan 8.240 nan 0.000 0.547 278 M N 1.295 121.008 119.600 0.189 0.000 2.792 278 M HA 0.284 4.764 4.480 0.000 0.000 0.294 278 M C 1.904 178.291 176.300 0.145 0.000 1.215 278 M CA -0.760 54.647 55.300 0.178 0.000 0.883 278 M CB 1.176 33.871 32.600 0.157 0.000 1.620 278 M HN 0.694 nan 8.290 nan 0.000 0.511 279 S N -0.509 115.264 115.700 0.122 0.000 2.442 279 S HA -0.146 4.324 4.470 0.000 0.000 0.236 279 S C 0.811 175.447 174.600 0.061 0.000 1.007 279 S CA 1.538 59.788 58.200 0.082 0.000 0.965 279 S CB -0.687 62.534 63.200 0.035 0.000 0.773 279 S HN 0.820 nan 8.310 nan 0.000 0.504 280 D N -0.332 120.103 120.400 0.059 0.000 2.368 280 D HA 0.341 4.981 4.640 0.000 0.000 0.218 280 D C 1.333 177.652 176.300 0.030 0.000 1.112 280 D CA 0.353 54.373 54.000 0.034 0.000 0.834 280 D CB -0.380 40.434 40.800 0.023 0.000 0.953 280 D HN 0.496 nan 8.370 nan 0.000 0.505 281 G N 0.355 109.189 108.800 0.057 0.000 2.225 281 G HA2 -0.336 3.624 3.960 0.000 0.000 0.254 281 G HA3 -0.336 3.624 3.960 0.000 0.000 0.254 281 G C 0.551 175.479 174.900 0.046 0.000 0.988 281 G CA 0.046 45.178 45.100 0.053 0.000 0.625 281 G HN 0.454 nan 8.290 nan 0.000 0.527 282 R N -0.566 119.953 120.500 0.033 0.000 2.738 282 R HA 0.553 4.893 4.340 0.000 0.000 0.275 282 R C -0.170 176.202 176.300 0.120 0.000 1.121 282 R CA 0.069 56.177 56.100 0.014 0.000 1.207 282 R CB 0.794 31.089 30.300 -0.009 0.000 1.141 282 R HN 0.136 nan 8.270 nan 0.000 0.571 283 V N 1.872 121.873 119.914 0.144 0.000 2.531 283 V HA 0.278 4.398 4.120 0.000 0.000 0.301 283 V C -0.935 175.355 176.094 0.328 0.000 1.034 283 V CA -0.681 61.761 62.300 0.237 0.000 0.865 283 V CB 1.427 33.395 31.823 0.242 0.000 0.995 283 V HN 0.500 nan 8.190 nan 0.000 0.424 284 F N 3.722 123.803 119.950 0.217 0.000 2.422 284 F HA 0.795 5.322 4.527 -0.000 0.000 0.333 284 F C 0.142 176.076 175.800 0.224 0.000 1.095 284 F CA 0.252 58.392 58.000 0.233 0.000 1.038 284 F CB 1.946 41.044 39.000 0.162 0.000 1.156 284 F HN 0.530 nan 8.300 nan 0.000 0.483 285 T N 6.625 120.805 114.554 -0.623 0.000 2.864 285 T HA 0.707 5.058 4.350 0.000 0.000 0.299 285 T C -1.756 172.397 174.700 -0.912 0.000 1.166 285 T CA -0.553 61.207 62.100 -0.566 0.000 1.007 285 T CB 1.211 69.956 68.868 -0.204 0.000 1.219 285 T HN 0.761 nan 8.240 nan 0.000 0.506 286 I N 0.961 121.191 120.570 -0.566 0.000 2.947 286 I HA 0.590 4.761 4.170 0.000 0.000 0.301 286 I C 0.249 176.199 176.117 -0.278 0.000 1.453 286 I CA 0.580 61.608 61.300 -0.454 0.000 0.984 286 I CB 1.562 39.257 38.000 -0.509 0.000 1.333 286 I HN 1.101 nan 8.210 nan 0.000 0.475 287 G N 3.394 112.059 108.800 -0.225 0.000 2.601 287 G HA2 0.284 4.244 3.960 0.000 0.000 0.252 287 G HA3 0.284 4.244 3.960 0.000 0.000 0.252 287 G C 0.527 175.300 174.900 -0.212 0.000 1.294 287 G CA -0.018 44.966 45.100 -0.194 0.000 0.912 287 G HN 2.452 nan 8.290 nan 0.000 0.574 288 G N -3.149 105.535 108.800 -0.193 0.000 2.842 288 G HA2 0.210 4.170 3.960 0.000 0.000 0.242 288 G HA3 0.210 4.170 3.960 0.000 0.000 0.242 288 G C 0.518 175.298 174.900 -0.200 0.000 1.135 288 G CA 0.738 45.735 45.100 -0.171 0.000 1.048 288 G HN 1.829 nan 8.290 nan 0.000 0.530 289 S N -0.884 114.685 115.700 -0.217 0.000 2.605 289 S HA 0.111 4.581 4.470 0.000 0.000 0.217 289 S C 1.533 176.033 174.600 -0.166 0.000 0.958 289 S CA 0.619 58.687 58.200 -0.220 0.000 0.919 289 S CB -0.145 62.945 63.200 -0.184 0.000 0.780 289 S HN 0.719 nan 8.310 nan 0.000 0.507 290 W N 3.572 124.591 121.300 -0.468 0.000 2.363 290 W HA -0.052 4.608 4.660 0.002 0.000 0.296 290 W C 0.844 177.230 176.519 -0.222 0.000 1.212 290 W CA 1.300 58.261 57.345 -0.639 0.000 1.260 290 W CB 0.031 28.715 29.460 -1.294 0.000 1.131 290 W HN 0.294 nan 8.180 nan 0.000 0.530 291 S N -2.564 113.068 115.700 -0.112 0.000 2.651 291 S HA 0.599 5.069 4.470 0.000 0.000 0.279 291 S C 0.493 175.036 174.600 -0.095 0.000 1.148 291 S CA -0.298 57.794 58.200 -0.180 0.000 0.837 291 S CB 1.244 64.411 63.200 -0.055 0.000 1.138 291 S HN 0.884 nan 8.310 nan 0.000 0.478 292 G N -0.519 108.240 108.800 -0.068 0.000 2.162 292 G HA2 0.340 4.300 3.960 0.000 0.000 0.260 292 G HA3 0.340 4.300 3.960 0.000 0.000 0.260 292 G C 1.231 176.171 174.900 0.068 0.000 0.976 292 G CA 0.429 45.523 45.100 -0.010 0.000 0.655 292 G HN 2.665 nan 8.290 nan 0.000 0.533 293 G N -2.830 105.977 108.800 0.012 0.000 2.539 293 G HA2 0.359 4.319 3.960 0.000 0.000 0.686 293 G HA3 0.359 4.319 3.960 0.000 0.000 0.686 293 G C -0.691 174.179 174.900 -0.049 0.000 1.258 293 G CA -0.054 45.121 45.100 0.126 0.000 0.846 293 G HN 1.486 nan 8.290 nan 0.000 0.647 294 V N 2.041 122.003 119.914 0.079 0.000 2.293 294 V HA 0.816 4.936 4.120 0.000 0.000 0.275 294 V C 0.103 176.277 176.094 0.134 0.000 1.021 294 V CA 0.322 62.614 62.300 -0.013 0.000 0.815 294 V CB -0.378 31.464 31.823 0.032 0.000 1.025 294 V HN 1.404 nan 8.190 nan 0.000 0.448 295 F N 0.841 120.783 119.950 -0.014 0.000 2.817 295 F HA 0.578 5.105 4.527 0.001 0.000 0.317 295 F C -0.415 175.377 175.800 -0.013 0.000 1.168 295 F CA -1.432 56.560 58.000 -0.013 0.000 0.911 295 F CB 1.159 40.148 39.000 -0.018 0.000 1.337 295 F HN 0.175 nan 8.300 nan 0.000 0.464 296 E N 1.675 122.016 120.200 0.235 0.000 2.292 296 E HA 0.148 4.498 4.350 0.000 0.000 0.265 296 E C -1.034 175.644 176.600 0.129 0.000 1.093 296 E CA -0.076 56.391 56.400 0.112 0.000 0.922 296 E CB 0.592 30.358 29.700 0.111 0.000 1.001 296 E HN 0.375 nan 8.360 nan 0.000 0.444 297 K N 3.897 124.258 120.400 -0.065 0.000 2.354 297 K HA 0.245 4.565 4.320 0.000 0.000 0.257 297 K C -0.261 176.304 176.600 -0.059 0.000 1.062 297 K CA -0.587 55.646 56.287 -0.089 0.000 0.971 297 K CB 0.683 33.009 32.500 -0.289 0.000 1.305 297 K HN 0.346 nan 8.250 nan 0.000 0.449 298 N N 0.750 119.458 118.700 0.014 0.000 2.322 298 N HA 0.115 4.856 4.740 0.000 0.000 0.270 298 N C 0.637 176.123 175.510 -0.041 0.000 1.286 298 N CA -0.178 52.888 53.050 0.027 0.000 0.948 298 N CB 0.452 38.998 38.487 0.097 0.000 1.164 298 N HN 0.543 nan 8.380 nan 0.000 0.551 299 G N -0.968 107.831 108.800 -0.000 0.000 2.606 299 G HA2 0.380 4.340 3.960 0.000 0.000 0.252 299 G HA3 0.380 4.340 3.960 0.000 0.000 0.252 299 G C -0.312 174.552 174.900 -0.059 0.000 1.206 299 G CA -0.147 44.857 45.100 -0.160 0.000 0.861 299 G HN 0.689 nan 8.290 nan 0.000 0.561 300 E N -2.300 117.813 120.200 -0.146 0.000 2.437 300 E HA 0.579 4.929 4.350 0.000 0.000 0.280 300 E C -1.988 174.816 176.600 0.340 0.000 1.044 300 E CA -1.052 55.437 56.400 0.148 0.000 0.826 300 E CB 2.201 31.990 29.700 0.149 0.000 1.358 300 E HN 0.644 nan 8.360 nan 0.000 0.459 301 V N 1.550 121.755 119.914 0.485 0.000 2.760 301 V HA 0.471 4.591 4.120 0.000 0.000 0.309 301 V C -1.985 174.168 176.094 0.099 0.000 1.077 301 V CA -0.608 61.916 62.300 0.374 0.000 0.910 301 V CB 1.675 33.681 31.823 0.305 0.000 1.008 301 V HN 0.739 nan 8.190 nan 0.000 0.424 302 Y N 5.075 125.042 120.300 -0.556 0.000 2.330 302 Y HA 0.705 5.255 4.550 -0.000 0.000 0.336 302 Y C 0.161 175.779 175.900 -0.470 0.000 1.036 302 Y CA -0.062 57.389 58.100 -1.081 0.000 1.125 302 Y CB 1.859 39.169 38.460 -1.917 0.000 1.194 302 Y HN 0.689 nan 8.280 nan 0.000 0.469 303 S N 7.978 123.080 115.700 -0.998 0.000 2.438 303 S HA 0.409 4.879 4.470 0.000 0.000 0.316 303 S C -2.125 171.803 174.600 -1.121 0.000 1.084 303 S CA -1.784 55.942 58.200 -0.790 0.000 1.107 303 S CB 1.166 64.135 63.200 -0.386 0.000 0.981 303 S HN 0.642 nan 8.310 nan 0.000 0.466 304 P HA -0.072 nan 4.420 nan 0.000 0.221 304 P C 1.448 178.588 177.300 -0.266 0.000 1.150 304 P CA 0.857 63.660 63.100 -0.495 0.000 0.800 304 P CB 0.056 31.652 31.700 -0.173 0.000 0.787 305 S N -0.776 114.781 115.700 -0.239 0.000 2.377 305 S HA -0.079 4.391 4.470 0.000 0.000 0.223 305 S C 2.007 176.532 174.600 -0.124 0.000 1.030 305 S CA 1.317 59.434 58.200 -0.139 0.000 0.970 305 S CB -1.411 61.727 63.200 -0.105 0.000 0.830 305 S HN 0.220 nan 8.310 nan 0.000 0.473 306 S N 1.073 116.677 115.700 -0.159 0.000 2.524 306 S HA 0.256 4.726 4.470 0.000 0.000 0.216 306 S C 0.440 174.980 174.600 -0.101 0.000 0.987 306 S CA -0.096 58.040 58.200 -0.107 0.000 0.909 306 S CB -0.704 62.443 63.200 -0.089 0.000 0.781 306 S HN 0.548 nan 8.310 nan 0.000 0.521 307 K N 1.766 122.057 120.400 -0.182 0.000 3.150 307 K HA -0.134 4.186 4.320 0.000 0.000 0.267 307 K C -0.340 176.258 176.600 -0.004 0.000 1.028 307 K CA 0.898 57.136 56.287 -0.081 0.000 0.753 307 K CB -2.713 29.806 32.500 0.033 0.000 1.288 307 K HN 0.786 nan 8.250 nan 0.000 0.473 308 T N -3.373 111.114 114.554 -0.111 0.000 2.906 308 T HA 0.634 4.985 4.350 0.000 0.000 0.295 308 T C -0.693 174.000 174.700 -0.012 0.000 1.061 308 T CA -0.948 61.164 62.100 0.021 0.000 1.000 308 T CB 1.287 70.167 68.868 0.020 0.000 1.103 308 T HN 0.301 nan 8.240 nan 0.000 0.486 309 W N 1.016 122.415 121.300 0.164 0.000 2.469 309 W HA 0.581 5.241 4.660 -0.000 0.000 0.320 309 W C -0.124 176.453 176.519 0.097 0.000 1.086 309 W CA -0.368 57.072 57.345 0.157 0.000 1.211 309 W CB 2.101 31.643 29.460 0.137 0.000 1.298 309 W HN 0.669 nan 8.180 nan 0.000 0.525 310 T N 2.170 116.926 114.554 0.337 0.000 2.812 310 T HA 0.228 4.578 4.350 0.000 0.000 0.282 310 T C -0.276 174.564 174.700 0.232 0.000 0.990 310 T CA -0.688 61.546 62.100 0.224 0.000 0.960 310 T CB 1.509 70.466 68.868 0.148 0.000 0.948 310 T HN 0.302 nan 8.240 nan 0.000 0.438 311 S N 2.763 118.569 115.700 0.177 0.000 2.549 311 S HA 0.340 4.810 4.470 0.000 0.000 0.283 311 S C -0.061 174.634 174.600 0.158 0.000 1.320 311 S CA -0.512 57.777 58.200 0.149 0.000 1.058 311 S CB -0.166 63.099 63.200 0.108 0.000 0.882 311 S HN 0.567 nan 8.310 nan 0.000 0.498 312 L N 7.391 128.717 121.223 0.172 0.000 2.581 312 L HA 0.340 4.681 4.340 0.000 0.000 0.241 312 L C -1.586 175.395 176.870 0.185 0.000 1.265 312 L CA -1.536 53.427 54.840 0.204 0.000 0.954 312 L CB 1.381 43.623 42.059 0.306 0.000 1.269 312 L HN 0.561 nan 8.230 nan 0.000 0.475 313 P HA -0.085 nan 4.420 nan 0.000 0.223 313 P C 0.574 177.959 177.300 0.142 0.000 1.151 313 P CA 1.049 64.224 63.100 0.126 0.000 0.787 313 P CB 0.356 32.115 31.700 0.099 0.000 0.788 314 N N -0.019 118.776 118.700 0.159 0.000 2.353 314 N HA 0.064 4.805 4.740 0.000 0.000 0.185 314 N C 0.730 176.379 175.510 0.231 0.000 1.098 314 N CA 0.134 53.282 53.050 0.163 0.000 0.872 314 N CB -0.163 38.402 38.487 0.129 0.000 0.970 314 N HN 0.057 nan 8.380 nan 0.000 0.467 315 A N 1.826 124.828 122.820 0.304 0.000 2.906 315 A HA 0.101 4.421 4.320 0.000 0.000 0.289 315 A C 0.221 178.064 177.584 0.432 0.000 1.675 315 A CA -0.174 52.147 52.037 0.472 0.000 1.372 315 A CB -0.188 19.165 19.000 0.588 0.000 1.091 315 A HN -0.139 nan 8.150 nan 0.000 0.579 316 K N 1.561 122.194 120.400 0.390 0.000 2.322 316 K HA 0.092 4.413 4.320 0.000 0.000 0.283 316 K C 1.122 177.914 176.600 0.321 0.000 1.042 316 K CA -0.233 56.216 56.287 0.271 0.000 0.958 316 K CB 1.747 34.358 32.500 0.185 0.000 0.984 316 K HN 0.308 nan 8.250 nan 0.000 0.473 317 V N 3.702 123.725 119.914 0.183 0.000 2.667 317 V HA -0.192 3.928 4.120 0.000 0.000 0.252 317 V C 2.070 178.234 176.094 0.117 0.000 1.065 317 V CA 1.475 63.853 62.300 0.130 0.000 1.083 317 V CB -0.405 31.428 31.823 0.017 0.000 0.692 317 V HN 0.758 nan 8.190 nan 0.000 0.468 318 N N 0.986 119.746 118.700 0.100 0.000 2.060 318 N HA -0.150 4.590 4.740 0.000 0.000 0.195 318 N C -0.598 174.944 175.510 0.053 0.000 1.028 318 N CA 2.303 55.391 53.050 0.065 0.000 0.861 318 N CB -0.983 37.540 38.487 0.060 0.000 1.029 318 N HN 0.414 nan 8.380 nan 0.000 0.428 319 P HA -0.075 nan 4.420 nan 0.000 0.226 319 P C 1.261 178.566 177.300 0.007 0.000 1.153 319 P CA 1.097 64.212 63.100 0.026 0.000 0.777 319 P CB -0.287 31.417 31.700 0.006 0.000 0.794 320 M N -3.340 116.290 119.600 0.050 0.000 2.428 320 M HA 0.196 4.676 4.480 0.000 0.000 0.239 320 M C 0.196 176.468 176.300 -0.048 0.000 1.121 320 M CA 0.269 55.567 55.300 -0.003 0.000 1.019 320 M CB -0.475 32.164 32.600 0.066 0.000 1.485 320 M HN -0.291 nan 8.290 nan 0.000 0.484 321 L N 2.975 124.182 121.223 -0.026 0.000 2.453 321 L HA 0.197 4.537 4.340 0.000 0.000 0.272 321 L C 1.006 177.843 176.870 -0.054 0.000 1.182 321 L CA -0.309 54.508 54.840 -0.038 0.000 0.858 321 L CB 0.495 42.544 42.059 -0.015 0.000 1.120 321 L HN 0.410 nan 8.230 nan 0.000 0.474 322 T N -0.211 114.307 114.554 -0.060 0.000 2.754 322 T HA 0.359 4.709 4.350 0.000 0.000 0.286 322 T C 0.727 175.413 174.700 -0.024 0.000 0.997 322 T CA -0.304 61.763 62.100 -0.056 0.000 0.982 322 T CB 1.240 70.077 68.868 -0.053 0.000 1.027 322 T HN 0.651 nan 8.240 nan 0.000 0.529 323 A N 0.337 123.147 122.820 -0.017 0.000 2.579 323 A HA 0.213 4.533 4.320 0.000 0.000 0.273 323 A C 0.674 178.267 177.584 0.015 0.000 1.363 323 A CA -0.485 51.551 52.037 -0.001 0.000 0.953 323 A CB -0.979 18.019 19.000 -0.004 0.000 1.034 323 A HN 0.903 nan 8.150 nan 0.000 0.536 324 D N 1.376 121.791 120.400 0.025 0.000 2.533 324 D HA -0.077 4.563 4.640 0.000 0.000 0.236 324 D C 1.306 177.638 176.300 0.052 0.000 1.137 324 D CA 0.509 54.539 54.000 0.051 0.000 0.867 324 D CB 0.838 41.685 40.800 0.077 0.000 1.170 324 D HN 0.600 nan 8.370 nan 0.000 0.474 325 K N 2.691 123.125 120.400 0.056 0.000 2.280 325 K HA -0.184 4.137 4.320 0.000 0.000 0.202 325 K C 1.186 177.821 176.600 0.058 0.000 1.047 325 K CA 1.067 57.383 56.287 0.049 0.000 0.942 325 K CB 0.030 32.558 32.500 0.046 0.000 0.739 325 K HN 0.468 nan 8.250 nan 0.000 0.457 326 Q N 0.832 120.682 119.800 0.083 0.000 2.403 326 Q HA 0.118 4.459 4.340 0.000 0.000 0.203 326 Q C 0.577 176.635 176.000 0.096 0.000 0.932 326 Q CA 0.219 56.081 55.803 0.099 0.000 0.945 326 Q CB 0.509 29.343 28.738 0.160 0.000 1.045 326 Q HN 0.571 nan 8.270 nan 0.000 0.511 327 G N 1.001 109.844 108.800 0.073 0.000 2.593 327 G HA2 -0.331 3.629 3.960 0.000 0.000 0.237 327 G HA3 -0.331 3.629 3.960 0.000 0.000 0.237 327 G C 0.176 175.114 174.900 0.063 0.000 1.312 327 G CA -0.134 45.001 45.100 0.058 0.000 0.896 327 G HN 0.227 nan 8.290 nan 0.000 0.574 328 L N -0.438 120.815 121.223 0.051 0.000 2.191 328 L HA 0.057 4.397 4.340 0.000 0.000 0.212 328 L C 2.495 179.382 176.870 0.027 0.000 1.103 328 L CA 2.811 57.666 54.840 0.024 0.000 0.769 328 L CB -0.999 41.068 42.059 0.014 0.000 0.908 328 L HN 0.751 nan 8.230 nan 0.000 0.438 329 Y N 0.294 120.551 120.300 -0.072 0.000 2.139 329 Y HA -0.306 4.244 4.550 0.001 0.000 0.282 329 Y C 2.296 178.144 175.900 -0.086 0.000 1.179 329 Y CA 2.019 60.059 58.100 -0.100 0.000 1.161 329 Y CB -0.040 38.360 38.460 -0.100 0.000 0.970 329 Y HN 0.160 nan 8.280 nan 0.000 0.511 330 R N -0.891 119.540 120.500 -0.115 0.000 2.195 330 R HA 0.093 4.433 4.340 0.000 0.000 0.197 330 R C 2.449 178.734 176.300 -0.025 0.000 0.990 330 R CA 0.992 57.012 56.100 -0.134 0.000 1.048 330 R CB -1.114 29.205 30.300 0.031 0.000 0.997 330 R HN 0.463 nan 8.270 nan 0.000 0.502 331 S N 1.630 117.322 115.700 -0.013 0.000 2.515 331 S HA -0.099 4.371 4.470 0.000 0.000 0.231 331 S C 0.949 175.520 174.600 -0.048 0.000 0.987 331 S CA 1.187 59.380 58.200 -0.010 0.000 0.936 331 S CB -0.138 63.060 63.200 -0.003 0.000 0.766 331 S HN 0.297 nan 8.310 nan 0.000 0.528 332 D N 0.311 120.664 120.400 -0.078 0.000 2.368 332 D HA 0.172 4.812 4.640 0.000 0.000 0.218 332 D C -0.397 175.826 176.300 -0.129 0.000 1.112 332 D CA -0.536 53.403 54.000 -0.102 0.000 0.834 332 D CB -0.663 40.067 40.800 -0.116 0.000 0.953 332 D HN 0.159 nan 8.370 nan 0.000 0.505 333 N N 0.677 119.296 118.700 -0.134 0.000 2.515 333 N HA 0.165 4.905 4.740 0.000 0.000 0.279 333 N C -0.214 175.203 175.510 -0.155 0.000 1.164 333 N CA -0.255 52.646 53.050 -0.248 0.000 0.982 333 N CB 0.070 38.353 38.487 -0.340 0.000 1.170 333 N HN 0.192 nan 8.380 nan 0.000 0.474 334 H N -1.916 117.156 119.070 0.003 0.000 2.692 334 H HA -0.163 4.394 4.556 0.001 0.000 0.316 334 H C -0.111 175.236 175.328 0.031 0.000 1.176 334 H CA 0.171 56.220 56.048 0.001 0.000 1.142 334 H CB -1.294 28.484 29.762 0.027 0.000 1.475 334 H HN 0.645 nan 8.280 nan 0.000 0.423 335 A N 0.246 123.099 122.820 0.054 0.000 2.483 335 A HA 0.085 4.406 4.320 0.000 0.000 0.238 335 A C 0.255 177.917 177.584 0.129 0.000 1.070 335 A CA -0.051 51.978 52.037 -0.013 0.000 0.770 335 A CB 0.265 19.233 19.000 -0.054 0.000 1.008 335 A HN 0.474 nan 8.150 nan 0.000 0.497 336 W N 3.300 124.534 121.300 -0.111 0.000 1.864 336 W HA 0.422 5.084 4.660 0.002 0.000 0.425 336 W C -0.549 175.814 176.519 -0.259 0.000 0.791 336 W CA -0.655 56.586 57.345 -0.174 0.000 1.650 336 W CB -0.977 28.459 29.460 -0.040 0.000 1.791 336 W HN 0.340 nan 8.180 nan 0.000 0.266 337 L N 2.542 123.662 121.223 -0.173 0.000 2.325 337 L HA 0.590 4.930 4.340 0.000 0.000 0.279 337 L C -0.530 176.074 176.870 -0.443 0.000 1.054 337 L CA -0.660 54.102 54.840 -0.130 0.000 0.804 337 L CB 0.706 42.782 42.059 0.029 0.000 1.200 337 L HN -0.083 nan 8.230 nan 0.000 0.436 338 F N -0.027 120.045 119.950 0.204 0.000 2.562 338 F HA 0.436 4.962 4.527 -0.001 0.000 0.319 338 F C 0.792 176.770 175.800 0.295 0.000 1.154 338 F CA -0.739 57.397 58.000 0.228 0.000 0.931 338 F CB 1.760 40.875 39.000 0.191 0.000 1.198 338 F HN 0.463 nan 8.300 nan 0.000 0.444 339 G N 2.677 111.739 108.800 0.436 0.000 2.353 339 G HA2 0.145 4.105 3.960 0.000 0.000 0.239 339 G HA3 0.145 4.105 3.960 0.000 0.000 0.239 339 G C -0.857 174.404 174.900 0.601 0.000 1.295 339 G CA -0.105 45.245 45.100 0.416 0.000 0.884 339 G HN 0.744 nan 8.290 nan 0.000 0.537 340 W N 1.317 122.762 121.300 0.241 0.000 3.307 340 W HA 0.413 5.072 4.660 -0.001 0.000 0.376 340 W C -0.358 176.252 176.519 0.151 0.000 1.113 340 W CA -0.897 56.586 57.345 0.230 0.000 1.087 340 W CB 1.122 30.797 29.460 0.358 0.000 1.511 340 W HN 0.363 nan 8.180 nan 0.000 0.604 341 K N 2.106 122.265 120.400 -0.400 0.000 2.436 341 K HA -0.001 4.320 4.320 0.000 0.000 0.275 341 K C -0.103 176.451 176.600 -0.076 0.000 0.999 341 K CA 0.620 56.702 56.287 -0.341 0.000 0.980 341 K CB 0.166 32.376 32.500 -0.483 0.000 0.919 341 K HN 0.299 nan 8.250 nan 0.000 0.484 342 K N 0.821 121.186 120.400 -0.059 0.000 3.096 342 K HA -0.257 4.063 4.320 0.000 0.000 0.266 342 K C 0.599 177.229 176.600 0.050 0.000 1.043 342 K CA 0.381 56.666 56.287 -0.003 0.000 0.758 342 K CB -2.059 30.439 32.500 -0.004 0.000 1.260 342 K HN 1.173 nan 8.250 nan 0.000 0.481 343 G N -0.373 108.463 108.800 0.060 0.000 2.189 343 G HA2 -0.405 3.556 3.960 0.000 0.000 0.267 343 G HA3 -0.405 3.556 3.960 0.000 0.000 0.267 343 G C 0.200 175.153 174.900 0.088 0.000 0.975 343 G CA 0.639 45.790 45.100 0.084 0.000 0.644 343 G HN 0.976 nan 8.290 nan 0.000 0.537 344 S N -1.181 114.584 115.700 0.107 0.000 2.614 344 S HA 0.705 5.176 4.470 0.000 0.000 0.265 344 S C -0.055 174.665 174.600 0.201 0.000 1.303 344 S CA -0.027 58.230 58.200 0.095 0.000 1.000 344 S CB 2.520 65.787 63.200 0.112 0.000 0.935 344 S HN 1.122 nan 8.310 nan 0.000 0.551 345 V N 2.409 122.414 119.914 0.152 0.000 2.525 345 V HA 0.450 4.570 4.120 0.000 0.000 0.299 345 V C -0.911 175.352 176.094 0.283 0.000 1.034 345 V CA -0.724 61.696 62.300 0.201 0.000 0.863 345 V CB 1.309 33.084 31.823 -0.081 0.000 0.999 345 V HN 0.895 nan 8.190 nan 0.000 0.423 346 F N 4.258 124.287 119.950 0.132 0.000 2.394 346 F HA 0.516 5.043 4.527 -0.000 0.000 0.340 346 F C 0.227 176.022 175.800 -0.009 0.000 1.105 346 F CA 0.034 57.899 58.000 -0.225 0.000 1.124 346 F CB 1.270 39.947 39.000 -0.539 0.000 1.145 346 F HN 0.519 nan 8.300 nan 0.000 0.505 347 Q N 5.757 125.019 119.800 -0.896 0.000 2.381 347 Q HA 0.453 4.793 4.340 0.000 0.000 0.263 347 Q C -0.643 174.822 176.000 -0.892 0.000 1.030 347 Q CA -0.288 55.205 55.803 -0.517 0.000 0.772 347 Q CB 1.658 30.319 28.738 -0.128 0.000 1.232 347 Q HN 0.943 nan 8.270 nan 0.000 0.476 348 A N 2.754 125.353 122.820 -0.368 0.000 2.218 348 A HA 0.524 4.845 4.320 0.000 0.000 0.209 348 A C 0.755 178.289 177.584 -0.084 0.000 1.168 348 A CA 0.957 52.978 52.037 -0.026 0.000 0.804 348 A CB 0.250 19.642 19.000 0.654 0.000 0.834 348 A HN 0.857 nan 8.150 nan 0.000 0.482 349 G N -1.595 106.910 108.800 -0.491 0.000 2.344 349 G HA2 0.287 4.248 3.960 0.000 0.000 0.282 349 G HA3 0.287 4.248 3.960 0.000 0.000 0.282 349 G C -2.677 171.381 174.900 -1.404 0.000 1.281 349 G CA 0.151 44.497 45.100 -1.256 0.000 0.877 349 G HN -0.187 nan 8.290 nan 0.000 0.494 350 P HA 0.059 nan 4.420 nan 0.000 0.229 350 P C 1.211 178.069 177.300 -0.736 0.000 1.160 350 P CA 1.174 63.426 63.100 -1.413 0.000 0.777 350 P CB -0.146 31.223 31.700 -0.552 0.000 0.814 351 S N -0.798 114.593 115.700 -0.514 0.000 2.563 351 S HA 0.027 4.498 4.470 0.000 0.000 0.284 351 S C 1.377 175.800 174.600 -0.295 0.000 1.331 351 S CA 0.033 58.051 58.200 -0.303 0.000 1.047 351 S CB -0.183 62.889 63.200 -0.214 0.000 0.859 351 S HN 0.003 nan 8.310 nan 0.000 0.514 352 T N 2.191 116.633 114.554 -0.186 0.000 2.699 352 T HA -0.071 4.279 4.350 0.000 0.000 0.268 352 T C 1.036 175.648 174.700 -0.146 0.000 1.036 352 T CA 1.608 63.623 62.100 -0.143 0.000 1.147 352 T CB -0.712 68.106 68.868 -0.083 0.000 0.862 352 T HN 1.012 nan 8.240 nan 0.000 0.446 353 A N 1.836 124.574 122.820 -0.138 0.000 2.454 353 A HA 0.544 4.864 4.320 0.000 0.000 0.260 353 A C 0.209 177.677 177.584 -0.192 0.000 1.106 353 A CA -0.170 51.790 52.037 -0.128 0.000 0.780 353 A CB -0.161 18.781 19.000 -0.096 0.000 1.044 353 A HN 0.420 nan 8.150 nan 0.000 0.498 354 M N 2.772 122.254 119.600 -0.197 0.000 2.409 354 M HA 0.371 4.851 4.480 0.000 0.000 0.329 354 M C -0.158 175.924 176.300 -0.363 0.000 1.180 354 M CA -0.238 54.860 55.300 -0.337 0.000 1.053 354 M CB 1.144 33.583 32.600 -0.269 0.000 1.586 354 M HN 0.717 nan 8.290 nan 0.000 0.461 355 N N 0.588 118.934 118.700 -0.590 0.000 2.396 355 N HA 0.376 5.116 4.740 0.000 0.000 0.275 355 N C -2.118 172.994 175.510 -0.663 0.000 1.218 355 N CA -0.517 52.234 53.050 -0.498 0.000 0.812 355 N CB 1.873 40.090 38.487 -0.451 0.000 1.592 355 N HN 0.594 nan 8.380 nan 0.000 0.480 356 W N 1.056 122.182 121.300 -0.289 0.000 2.390 356 W HA 0.410 5.070 4.660 -0.000 0.000 0.312 356 W C -0.403 175.768 176.519 -0.579 0.000 1.123 356 W CA -0.429 56.730 57.345 -0.311 0.000 1.202 356 W CB 0.647 29.964 29.460 -0.239 0.000 1.251 356 W HN 0.366 nan 8.180 nan 0.000 0.511 357 Y N 2.388 122.631 120.300 -0.095 0.000 2.377 357 Y HA 0.413 4.963 4.550 0.000 0.000 0.339 357 Y C -0.558 175.136 175.900 -0.343 0.000 1.011 357 Y CA -1.127 56.878 58.100 -0.158 0.000 1.093 357 Y CB 1.068 39.352 38.460 -0.293 0.000 1.201 357 Y HN 0.264 nan 8.280 nan 0.000 0.455 358 Y N -0.187 120.200 120.300 0.145 0.000 2.446 358 Y HA 0.360 4.910 4.550 0.001 0.000 0.345 358 Y C 0.840 176.791 175.900 0.086 0.000 0.984 358 Y CA -0.874 57.282 58.100 0.094 0.000 1.058 358 Y CB 2.148 40.661 38.460 0.087 0.000 1.220 358 Y HN 0.619 nan 8.280 nan 0.000 0.455 359 T N -3.440 111.240 114.554 0.210 0.000 3.040 359 T HA 0.141 4.491 4.350 0.000 0.000 0.266 359 T C 0.259 175.066 174.700 0.178 0.000 1.005 359 T CA -0.230 61.983 62.100 0.189 0.000 0.906 359 T CB -0.327 68.629 68.868 0.148 0.000 1.082 359 T HN 0.483 nan 8.240 nan 0.000 0.531 360 S N 0.744 116.546 115.700 0.169 0.000 2.592 360 S HA 0.619 5.089 4.470 0.000 0.000 0.271 360 S C 1.315 175.984 174.600 0.115 0.000 1.326 360 S CA -0.080 58.192 58.200 0.120 0.000 1.024 360 S CB 0.439 63.695 63.200 0.094 0.000 0.921 360 S HN 1.179 nan 8.310 nan 0.000 0.527 361 G N 1.895 110.748 108.800 0.089 0.000 2.596 361 G HA2 -0.288 3.672 3.960 0.000 0.000 0.295 361 G HA3 -0.288 3.672 3.960 0.000 0.000 0.295 361 G C 0.617 175.583 174.900 0.109 0.000 1.240 361 G CA 0.231 45.380 45.100 0.083 0.000 0.985 361 G HN 1.316 nan 8.290 nan 0.000 0.555 362 S N 1.945 117.710 115.700 0.107 0.000 2.660 362 S HA 0.497 4.968 4.470 0.000 0.000 0.227 362 S C 0.995 175.694 174.600 0.165 0.000 0.948 362 S CA 1.420 59.695 58.200 0.126 0.000 0.948 362 S CB -0.458 62.802 63.200 0.101 0.000 0.779 362 S HN 2.391 nan 8.310 nan 0.000 0.487 363 G N 1.270 110.180 108.800 0.184 0.000 2.746 363 G HA2 0.045 4.005 3.960 0.000 0.000 0.685 363 G HA3 0.045 4.005 3.960 0.000 0.000 0.685 363 G C -1.300 173.741 174.900 0.234 0.000 1.350 363 G CA -0.473 44.777 45.100 0.250 0.000 0.837 363 G HN 0.338 nan 8.290 nan 0.000 0.564 364 D N -2.122 118.466 120.400 0.313 0.000 2.671 364 D HA 0.674 5.314 4.640 0.000 0.000 0.273 364 D C -1.270 175.258 176.300 0.380 0.000 1.264 364 D CA 0.520 54.680 54.000 0.267 0.000 0.788 364 D CB 2.057 42.919 40.800 0.104 0.000 1.324 364 D HN 1.312 nan 8.370 nan 0.000 0.424 365 V N 1.238 121.294 119.914 0.236 0.000 2.808 365 V HA 0.661 4.781 4.120 0.000 0.000 0.308 365 V C -1.670 174.486 176.094 0.104 0.000 1.099 365 V CA -0.493 61.836 62.300 0.049 0.000 0.920 365 V CB 1.840 33.594 31.823 -0.115 0.000 1.014 365 V HN 0.581 nan 8.190 nan 0.000 0.425 366 K N 3.991 124.488 120.400 0.163 0.000 2.443 366 K HA 0.593 4.913 4.320 0.000 0.000 0.252 366 K C -0.473 176.217 176.600 0.149 0.000 0.933 366 K CA -0.481 55.932 56.287 0.210 0.000 0.792 366 K CB 2.088 34.818 32.500 0.383 0.000 1.185 366 K HN 0.736 nan 8.250 nan 0.000 0.425 367 S N 1.775 117.530 115.700 0.092 0.000 2.546 367 S HA 0.060 4.531 4.470 0.000 0.000 0.290 367 S C 0.580 175.264 174.600 0.141 0.000 1.290 367 S CA -0.083 58.150 58.200 0.055 0.000 1.069 367 S CB 1.107 64.331 63.200 0.040 0.000 0.846 367 S HN 0.668 nan 8.310 nan 0.000 0.495 368 A N 2.780 125.641 122.820 0.069 0.000 2.500 368 A HA 0.634 4.954 4.320 0.000 0.000 0.267 368 A C 1.012 178.655 177.584 0.098 0.000 1.290 368 A CA 0.177 52.303 52.037 0.148 0.000 0.928 368 A CB -0.846 18.158 19.000 0.006 0.000 1.066 368 A HN 1.549 nan 8.150 nan 0.000 0.516 369 G N -0.030 108.801 108.800 0.052 0.000 2.757 369 G HA2 -0.147 3.814 3.960 0.000 0.000 0.638 369 G HA3 -0.147 3.814 3.960 0.000 0.000 0.638 369 G C -0.576 174.321 174.900 -0.005 0.000 1.344 369 G CA -0.527 44.594 45.100 0.034 0.000 0.855 369 G HN 0.482 nan 8.290 nan 0.000 0.537 370 K N 0.016 120.411 120.400 -0.008 0.000 2.143 370 K HA 0.418 4.738 4.320 0.000 0.000 0.272 370 K C 0.863 177.437 176.600 -0.043 0.000 1.001 370 K CA -0.716 55.550 56.287 -0.035 0.000 0.915 370 K CB 1.374 33.859 32.500 -0.025 0.000 1.047 370 K HN 0.607 nan 8.250 nan 0.000 0.458 371 R N 3.273 123.719 120.500 -0.091 0.000 2.458 371 R HA -0.064 4.276 4.340 0.000 0.000 0.303 371 R C -0.339 175.850 176.300 -0.185 0.000 1.013 371 R CA 0.801 56.804 56.100 -0.162 0.000 1.026 371 R CB 0.232 30.402 30.300 -0.217 0.000 0.948 371 R HN 0.792 nan 8.270 nan 0.000 0.417 372 Q N 1.596 121.314 119.800 -0.135 0.000 2.869 372 Q HA 0.501 4.841 4.340 0.000 0.000 0.322 372 Q C -1.695 174.439 176.000 0.224 0.000 0.832 372 Q CA -1.051 54.780 55.803 0.047 0.000 0.791 372 Q CB 1.488 30.257 28.738 0.050 0.000 1.412 372 Q HN 0.641 nan 8.270 nan 0.000 0.483 373 S N -0.861 114.985 115.700 0.243 0.000 2.669 373 S HA 0.270 4.741 4.470 0.000 0.000 0.266 373 S C -0.365 174.308 174.600 0.122 0.000 1.149 373 S CA -0.102 58.239 58.200 0.234 0.000 0.842 373 S CB 0.093 63.520 63.200 0.378 0.000 1.160 373 S HN 0.900 nan 8.310 nan 0.000 0.487 374 N N 0.738 119.484 118.700 0.077 0.000 2.519 374 N HA -0.075 4.665 4.740 0.000 0.000 0.186 374 N C 1.093 176.585 175.510 -0.029 0.000 1.062 374 N CA 0.783 53.845 53.050 0.020 0.000 0.910 374 N CB -0.590 37.903 38.487 0.010 0.000 0.958 374 N HN 0.600 nan 8.380 nan 0.000 0.445 375 R N -0.590 119.870 120.500 -0.067 0.000 2.299 375 R HA 0.264 4.605 4.340 0.000 0.000 0.197 375 R C 0.579 176.846 176.300 -0.054 0.000 0.971 375 R CA 0.518 56.528 56.100 -0.151 0.000 1.030 375 R CB -0.017 30.031 30.300 -0.419 0.000 0.932 375 R HN 0.379 nan 8.270 nan 0.000 0.477 376 G N -0.091 108.721 108.800 0.021 0.000 2.353 376 G HA2 -0.159 3.802 3.960 0.000 0.000 0.615 376 G HA3 -0.159 3.802 3.960 0.000 0.000 0.615 376 G C -1.036 173.915 174.900 0.085 0.000 1.280 376 G CA -1.006 44.118 45.100 0.040 0.000 1.000 376 G HN -0.069 nan 8.290 nan 0.000 0.516 377 V N 1.364 121.313 119.914 0.058 0.000 2.508 377 V HA 0.506 4.626 4.120 0.000 0.000 0.281 377 V C 1.378 177.514 176.094 0.071 0.000 1.041 377 V CA 0.405 62.735 62.300 0.050 0.000 1.016 377 V CB 0.786 32.621 31.823 0.021 0.000 0.984 377 V HN 1.885 nan 8.190 nan 0.000 0.478 378 A N 9.272 132.133 122.820 0.067 0.000 2.488 378 A HA 0.497 4.817 4.320 0.000 0.000 0.249 378 A C -1.796 175.814 177.584 0.044 0.000 1.083 378 A CA -0.900 51.199 52.037 0.104 0.000 0.768 378 A CB -0.185 18.817 19.000 0.003 0.000 1.017 378 A HN 0.685 nan 8.150 nan 0.000 0.496 379 P HA 0.144 nan 4.420 nan 0.000 0.276 379 P C -0.718 176.581 177.300 -0.001 0.000 1.261 379 P CA -0.548 62.566 63.100 0.024 0.000 0.800 379 P CB 0.448 32.169 31.700 0.035 0.000 1.066 380 D N 0.004 120.385 120.400 -0.032 0.000 2.571 380 D HA 0.138 4.778 4.640 0.000 0.000 0.231 380 D C 0.312 176.596 176.300 -0.027 0.000 1.133 380 D CA 0.982 54.943 54.000 -0.066 0.000 0.862 380 D CB -0.016 40.752 40.800 -0.053 0.000 1.179 380 D HN 0.346 nan 8.370 nan 0.000 0.474 381 A N 2.919 125.711 122.820 -0.046 0.000 3.297 381 A HA 0.235 4.555 4.320 0.000 0.000 0.304 381 A C 0.022 177.679 177.584 0.121 0.000 0.963 381 A CA -0.680 51.410 52.037 0.088 0.000 0.935 381 A CB 0.090 19.258 19.000 0.280 0.000 1.093 381 A HN 0.416 nan 8.150 nan 0.000 0.480 382 M N 0.618 120.236 119.600 0.030 0.000 2.252 382 M HA 0.242 4.722 4.480 0.000 0.000 0.348 382 M C 0.854 177.170 176.300 0.027 0.000 1.334 382 M CA 0.853 56.175 55.300 0.037 0.000 1.071 382 M CB -0.873 31.741 32.600 0.023 0.000 1.763 382 M HN 0.931 nan 8.290 nan 0.000 0.452 383 C N 2.829 122.183 119.300 0.090 0.000 4.320 383 C HA -0.140 4.320 4.460 0.000 0.000 0.281 383 C C 1.117 176.090 174.990 -0.028 0.000 1.432 383 C CA 0.350 59.370 59.018 0.003 0.000 1.884 383 C CB -2.896 24.814 27.740 -0.050 0.000 1.378 383 C HN 1.206 nan 8.230 nan 0.000 0.771 384 G N 0.450 109.340 108.800 0.149 0.000 2.636 384 G HA2 0.402 4.362 3.960 0.000 0.000 0.246 384 G HA3 0.402 4.362 3.960 0.000 0.000 0.246 384 G C -0.225 174.350 174.900 -0.541 0.000 1.216 384 G CA -0.067 45.035 45.100 0.002 0.000 0.854 384 G HN 0.697 nan 8.290 nan 0.000 0.572 385 N N -0.693 117.394 118.700 -1.021 0.000 2.443 385 N HA 0.590 5.330 4.740 0.000 0.000 0.293 385 N C -0.549 174.045 175.510 -1.527 0.000 1.159 385 N CA -0.494 51.809 53.050 -1.245 0.000 0.904 385 N CB 1.889 39.609 38.487 -1.278 0.000 1.214 385 N HN 0.659 nan 8.380 nan 0.000 0.513 386 A N 1.195 123.417 122.820 -0.998 0.000 2.427 386 A HA 0.604 4.924 4.320 0.000 0.000 0.298 386 A C -1.218 176.393 177.584 0.044 0.000 1.036 386 A CA -0.472 51.260 52.037 -0.508 0.000 0.701 386 A CB 1.238 20.042 19.000 -0.328 0.000 1.250 386 A HN 0.362 nan 8.150 nan 0.000 0.412 387 V N 3.129 123.165 119.914 0.203 0.000 2.623 387 V HA 0.417 4.537 4.120 0.000 0.000 0.304 387 V C -0.187 176.039 176.094 0.219 0.000 1.054 387 V CA -0.261 62.219 62.300 0.300 0.000 0.882 387 V CB 1.898 33.923 31.823 0.337 0.000 1.002 387 V HN 0.984 nan 8.190 nan 0.000 0.424 388 M N 5.937 125.634 119.600 0.162 0.000 2.435 388 M HA 0.273 4.753 4.480 0.000 0.000 0.344 388 M C 0.444 176.762 176.300 0.030 0.000 1.329 388 M CA -0.418 54.820 55.300 -0.103 0.000 1.320 388 M CB 0.052 32.559 32.600 -0.154 0.000 1.309 388 M HN 0.858 nan 8.290 nan 0.000 0.451 389 Y N 0.615 120.945 120.300 0.050 0.000 2.523 389 Y HA 0.349 4.899 4.550 -0.000 0.000 0.279 389 Y C -0.062 175.889 175.900 0.084 0.000 1.139 389 Y CA -0.345 57.807 58.100 0.086 0.000 1.296 389 Y CB 0.170 38.688 38.460 0.096 0.000 1.045 389 Y HN 0.492 nan 8.280 nan 0.000 0.538 390 D N 0.683 120.883 120.400 -0.333 0.000 2.328 390 D HA 0.359 4.999 4.640 0.000 0.000 0.243 390 D C 0.572 176.822 176.300 -0.084 0.000 1.324 390 D CA -0.013 53.914 54.000 -0.122 0.000 0.966 390 D CB 1.305 42.039 40.800 -0.110 0.000 1.324 390 D HN 0.199 nan 8.370 nan 0.000 0.549 391 A N 2.324 125.188 122.820 0.072 0.000 2.015 391 A HA -0.037 4.283 4.320 0.000 0.000 0.219 391 A C 2.081 179.809 177.584 0.240 0.000 1.163 391 A CA 1.118 53.281 52.037 0.210 0.000 0.646 391 A CB -0.124 19.070 19.000 0.323 0.000 0.806 391 A HN 0.429 nan 8.150 nan 0.000 0.448 392 V N 0.198 120.188 119.914 0.127 0.000 2.343 392 V HA -0.182 3.938 4.120 0.000 0.000 0.247 392 V C 2.015 178.174 176.094 0.108 0.000 1.051 392 V CA 2.028 64.382 62.300 0.091 0.000 1.036 392 V CB -0.406 31.443 31.823 0.043 0.000 0.654 392 V HN 0.383 nan 8.190 nan 0.000 0.451 393 K N -0.260 120.181 120.400 0.069 0.000 2.374 393 K HA 0.275 4.596 4.320 0.000 0.000 0.196 393 K C 1.349 177.963 176.600 0.023 0.000 1.023 393 K CA 0.667 56.981 56.287 0.045 0.000 1.103 393 K CB 0.099 32.602 32.500 0.005 0.000 0.848 393 K HN 0.536 nan 8.250 nan 0.000 0.528 394 G N 2.418 111.257 108.800 0.064 0.000 2.221 394 G HA2 -0.248 3.712 3.960 0.000 0.000 0.265 394 G HA3 -0.248 3.712 3.960 0.000 0.000 0.265 394 G C -0.287 174.389 174.900 -0.372 0.000 1.041 394 G CA 0.076 45.094 45.100 -0.137 0.000 0.807 394 G HN 0.104 nan 8.290 nan 0.000 0.502 395 K N 0.133 120.291 120.400 -0.402 0.000 2.248 395 K HA 0.578 4.899 4.320 0.000 0.000 0.281 395 K C 0.400 176.600 176.600 -0.667 0.000 1.054 395 K CA -0.320 55.633 56.287 -0.557 0.000 0.903 395 K CB 1.417 33.427 32.500 -0.816 0.000 1.077 395 K HN 0.363 nan 8.250 nan 0.000 0.474 396 I N 3.637 123.953 120.570 -0.423 0.000 2.465 396 I HA 0.236 4.406 4.170 0.000 0.000 0.291 396 I C -0.607 175.525 176.117 0.025 0.000 1.014 396 I CA -1.224 59.900 61.300 -0.293 0.000 1.093 396 I CB 1.681 39.408 38.000 -0.454 0.000 1.267 396 I HN 0.258 nan 8.210 nan 0.000 0.431 397 L N 7.028 128.382 121.223 0.218 0.000 2.282 397 L HA 0.622 4.962 4.340 0.000 0.000 0.288 397 L C 0.070 177.054 176.870 0.191 0.000 1.033 397 L CA 0.300 55.270 54.840 0.216 0.000 0.807 397 L CB 1.472 43.641 42.059 0.183 0.000 1.209 397 L HN 0.735 nan 8.230 nan 0.000 0.423 398 T N 1.793 116.419 114.554 0.120 0.000 2.887 398 T HA 0.867 5.218 4.350 0.000 0.000 0.288 398 T C -0.700 174.018 174.700 0.030 0.000 1.021 398 T CA -0.556 61.439 62.100 -0.175 0.000 1.000 398 T CB 1.418 70.213 68.868 -0.123 0.000 1.034 398 T HN 0.548 nan 8.240 nan 0.000 0.467 399 F N -1.420 118.417 119.950 -0.189 0.000 2.690 399 F HA 0.738 5.265 4.527 -0.000 0.000 0.311 399 F C 0.299 176.103 175.800 0.007 0.000 1.111 399 F CA -0.319 57.624 58.000 -0.096 0.000 1.003 399 F CB 0.706 39.641 39.000 -0.110 0.000 1.283 399 F HN 1.245 nan 8.300 nan 0.000 0.442 400 G N 0.669 109.528 108.800 0.098 0.000 2.593 400 G HA2 0.471 4.431 3.960 0.000 0.000 0.237 400 G HA3 0.471 4.431 3.960 0.000 0.000 0.237 400 G C 0.400 175.358 174.900 0.095 0.000 1.312 400 G CA 0.539 45.646 45.100 0.011 0.000 0.896 400 G HN 3.226 nan 8.290 nan 0.000 0.574 401 G N -2.370 106.489 108.800 0.099 0.000 2.760 401 G HA2 0.467 4.427 3.960 0.000 0.000 0.246 401 G HA3 0.467 4.427 3.960 0.000 0.000 0.246 401 G C 0.140 175.025 174.900 -0.026 0.000 1.359 401 G CA 0.901 46.031 45.100 0.049 0.000 0.861 401 G HN 2.972 nan 8.290 nan 0.000 0.541 402 S N -1.113 114.558 115.700 -0.048 0.000 2.607 402 S HA 0.814 5.284 4.470 0.000 0.000 0.273 402 S C -2.135 172.453 174.600 -0.021 0.000 1.148 402 S CA -0.585 57.582 58.200 -0.055 0.000 0.833 402 S CB 2.725 65.856 63.200 -0.116 0.000 1.130 402 S HN 0.499 nan 8.310 nan 0.000 0.470 403 P HA 0.126 nan 4.420 nan 0.000 0.221 403 P C -0.448 176.862 177.300 0.017 0.000 1.150 403 P CA 1.215 64.316 63.100 0.002 0.000 0.800 403 P CB -0.030 31.672 31.700 0.004 0.000 0.787 404 D N -2.764 117.652 120.400 0.027 0.000 2.433 404 D HA 0.090 4.730 4.640 0.000 0.000 0.236 404 D C 0.406 176.772 176.300 0.111 0.000 1.026 404 D CA -0.714 53.333 54.000 0.078 0.000 0.884 404 D CB 1.260 42.107 40.800 0.078 0.000 1.384 404 D HN -0.108 nan 8.370 nan 0.000 0.477 405 Y N 1.155 121.498 120.300 0.071 0.000 2.151 405 Y HA -0.241 4.310 4.550 0.000 0.000 0.284 405 Y C 1.095 177.074 175.900 0.131 0.000 1.166 405 Y CA 1.784 59.963 58.100 0.131 0.000 1.163 405 Y CB 0.424 38.975 38.460 0.151 0.000 0.974 405 Y HN 0.442 nan 8.280 nan 0.000 0.511 406 Q N -1.965 118.021 119.800 0.311 0.000 2.553 406 Q HA 0.279 4.619 4.340 0.000 0.000 0.293 406 Q C -0.945 175.118 176.000 0.105 0.000 1.038 406 Q CA -0.404 55.523 55.803 0.206 0.000 0.777 406 Q CB 1.990 30.870 28.738 0.237 0.000 1.487 406 Q HN 0.127 nan 8.270 nan 0.000 0.426 407 D N -0.287 120.152 120.400 0.066 0.000 2.772 407 D HA -0.142 4.498 4.640 0.000 0.000 0.233 407 D C -1.161 175.149 176.300 0.018 0.000 1.143 407 D CA 1.643 55.666 54.000 0.039 0.000 0.700 407 D CB -1.205 39.626 40.800 0.051 0.000 1.076 407 D HN 0.486 nan 8.370 nan 0.000 0.430 408 S N -0.390 115.305 115.700 -0.008 0.000 2.547 408 S HA 0.340 4.810 4.470 0.000 0.000 0.281 408 S C -1.056 173.508 174.600 -0.060 0.000 1.118 408 S CA -0.800 57.386 58.200 -0.023 0.000 0.947 408 S CB 1.574 64.765 63.200 -0.015 0.000 1.053 408 S HN -0.047 nan 8.310 nan 0.000 0.482 409 D N 3.064 123.435 120.400 -0.048 0.000 2.425 409 D HA 0.468 5.108 4.640 0.000 0.000 0.247 409 D C 0.516 176.769 176.300 -0.079 0.000 1.147 409 D CA 0.361 54.323 54.000 -0.062 0.000 0.879 409 D CB 1.268 42.043 40.800 -0.041 0.000 1.179 409 D HN 0.665 nan 8.370 nan 0.000 0.456 410 A N 2.336 125.089 122.820 -0.112 0.000 2.296 410 A HA 0.596 4.916 4.320 0.000 0.000 0.264 410 A C 0.661 178.198 177.584 -0.077 0.000 1.097 410 A CA -0.298 51.668 52.037 -0.119 0.000 0.811 410 A CB 0.419 19.312 19.000 -0.178 0.000 1.072 410 A HN 0.600 nan 8.150 nan 0.000 0.495 411 T N -3.625 110.892 114.554 -0.062 0.000 2.888 411 T HA 0.553 4.903 4.350 0.000 0.000 0.288 411 T C 0.511 175.174 174.700 -0.061 0.000 1.063 411 T CA 0.242 62.320 62.100 -0.036 0.000 1.010 411 T CB 1.121 69.999 68.868 0.016 0.000 1.214 411 T HN 1.031 nan 8.240 nan 0.000 0.533 412 T N -1.250 113.274 114.554 -0.051 0.000 3.122 412 T HA 0.229 4.579 4.350 0.000 0.000 0.250 412 T C 0.384 175.039 174.700 -0.074 0.000 1.067 412 T CA -0.574 61.461 62.100 -0.107 0.000 0.966 412 T CB -0.649 68.140 68.868 -0.132 0.000 1.002 412 T HN 0.551 nan 8.240 nan 0.000 0.542 413 N N 2.855 121.574 118.700 0.032 0.000 2.353 413 N HA 0.449 5.189 4.740 0.000 0.000 0.248 413 N C -0.408 174.978 175.510 -0.208 0.000 1.240 413 N CA 0.347 53.426 53.050 0.049 0.000 0.862 413 N CB 0.474 39.095 38.487 0.223 0.000 1.086 413 N HN 0.672 nan 8.380 nan 0.000 0.453 414 A N 1.701 124.066 122.820 -0.758 0.000 2.517 414 A HA 0.618 4.939 4.320 0.000 0.000 0.297 414 A C -1.445 175.570 177.584 -0.948 0.000 1.050 414 A CA -0.670 51.043 52.037 -0.541 0.000 0.694 414 A CB 1.004 19.788 19.000 -0.361 0.000 1.277 414 A HN 0.799 nan 8.150 nan 0.000 0.400 415 H N -0.062 118.862 119.070 -0.244 0.000 2.821 415 H HA 0.687 5.243 4.556 0.000 0.000 0.373 415 H C -0.881 174.403 175.328 -0.073 0.000 1.165 415 H CA -0.470 55.489 56.048 -0.148 0.000 1.154 415 H CB 1.784 31.544 29.762 -0.004 0.000 1.765 415 H HN 0.573 nan 8.280 nan 0.000 0.549 416 I N 3.046 123.669 120.570 0.089 0.000 2.339 416 I HA 0.303 4.473 4.170 0.000 0.000 0.290 416 I C -0.479 175.686 176.117 0.080 0.000 0.994 416 I CA -0.275 61.076 61.300 0.085 0.000 1.191 416 I CB 0.951 39.011 38.000 0.100 0.000 1.343 416 I HN 0.276 nan 8.210 nan 0.000 0.458 417 I N 5.329 125.909 120.570 0.017 0.000 2.412 417 I HA 0.337 4.507 4.170 0.000 0.000 0.296 417 I C -0.242 175.774 176.117 -0.168 0.000 0.987 417 I CA -0.340 60.926 61.300 -0.056 0.000 1.180 417 I CB 1.944 39.905 38.000 -0.064 0.000 1.340 417 I HN 0.466 nan 8.210 nan 0.000 0.455 418 T N 6.998 121.455 114.554 -0.163 0.000 2.842 418 T HA 0.457 4.807 4.350 0.000 0.000 0.308 418 T C -0.087 174.471 174.700 -0.237 0.000 1.041 418 T CA -0.484 61.507 62.100 -0.181 0.000 0.964 418 T CB 0.467 69.292 68.868 -0.071 0.000 0.972 418 T HN 0.267 nan 8.240 nan 0.000 0.460 419 L N 2.902 123.890 121.223 -0.392 0.000 2.380 419 L HA 0.546 4.886 4.340 0.000 0.000 0.273 419 L C 1.233 178.079 176.870 -0.040 0.000 1.138 419 L CA -0.213 54.379 54.840 -0.414 0.000 0.832 419 L CB 0.687 42.145 42.059 -1.000 0.000 1.124 419 L HN 0.748 nan 8.230 nan 0.000 0.454 420 G N 2.560 111.423 108.800 0.105 0.000 3.271 420 G HA2 0.250 4.210 3.960 0.000 0.000 0.174 420 G HA3 0.250 4.210 3.960 0.000 0.000 0.174 420 G C -0.316 174.772 174.900 0.312 0.000 1.385 420 G CA -0.353 44.865 45.100 0.197 0.000 0.979 420 G HN 0.474 nan 8.290 nan 0.000 0.610 421 E N 1.408 121.691 120.200 0.137 0.000 2.343 421 E HA 0.281 4.631 4.350 0.000 0.000 0.269 421 E C -2.242 174.176 176.600 -0.304 0.000 1.047 421 E CA -1.742 54.668 56.400 0.016 0.000 0.874 421 E CB 1.019 30.698 29.700 -0.035 0.000 1.033 421 E HN 0.034 nan 8.360 nan 0.000 0.409 422 P HA 0.003 nan 4.420 nan 0.000 0.265 422 P C 0.719 177.405 177.300 -1.023 0.000 1.187 422 P CA 0.874 63.068 63.100 -1.511 0.000 0.766 422 P CB 0.392 31.686 31.700 -0.677 0.000 0.820 423 G N 1.261 109.155 108.800 -1.509 0.000 2.176 423 G HA2 -0.207 3.754 3.960 0.000 0.000 0.253 423 G HA3 -0.207 3.754 3.960 0.000 0.000 0.253 423 G C 0.244 175.095 174.900 -0.080 0.000 0.979 423 G CA 0.371 45.257 45.100 -0.357 0.000 0.641 423 G HN 0.850 nan 8.290 nan 0.000 0.530 424 T N -1.200 113.318 114.554 -0.059 0.000 2.902 424 T HA 0.689 5.039 4.350 0.000 0.000 0.283 424 T C 0.198 175.140 174.700 0.403 0.000 1.009 424 T CA 0.239 62.434 62.100 0.160 0.000 1.051 424 T CB 2.013 70.935 68.868 0.089 0.000 0.999 424 T HN 0.424 nan 8.240 nan 0.000 0.474 425 S N 4.562 120.427 115.700 0.276 0.000 2.455 425 S HA 0.348 4.819 4.470 0.000 0.000 0.278 425 S C -1.827 172.879 174.600 0.177 0.000 1.216 425 S CA -0.842 57.511 58.200 0.256 0.000 1.055 425 S CB -0.038 63.261 63.200 0.164 0.000 0.939 425 S HN 0.688 nan 8.310 nan 0.000 0.494 426 P HA 0.146 nan 4.420 nan 0.000 0.274 426 P C -0.401 176.915 177.300 0.027 0.000 1.231 426 P CA -0.584 62.532 63.100 0.026 0.000 0.790 426 P CB 0.445 32.048 31.700 -0.161 0.000 0.951 427 N N 0.819 119.529 118.700 0.016 0.000 2.518 427 N HA 0.208 4.948 4.740 0.000 0.000 0.266 427 N C -0.667 174.861 175.510 0.031 0.000 1.196 427 N CA 0.142 53.212 53.050 0.032 0.000 0.947 427 N CB 0.259 38.766 38.487 0.033 0.000 1.098 427 N HN 0.466 nan 8.380 nan 0.000 0.450 428 T N 0.176 114.768 114.554 0.064 0.000 2.886 428 T HA 0.622 4.972 4.350 0.000 0.000 0.292 428 T C -0.356 174.437 174.700 0.155 0.000 1.012 428 T CA -0.810 61.349 62.100 0.098 0.000 0.982 428 T CB 0.593 69.509 68.868 0.080 0.000 1.018 428 T HN 0.428 nan 8.240 nan 0.000 0.451 429 V N 0.302 120.333 119.914 0.195 0.000 3.160 429 V HA 0.847 4.968 4.120 0.000 0.000 0.310 429 V C -0.686 175.568 176.094 0.267 0.000 1.181 429 V CA -1.497 60.936 62.300 0.222 0.000 1.047 429 V CB 1.584 33.497 31.823 0.150 0.000 1.068 429 V HN 0.870 nan 8.190 nan 0.000 0.441 430 F N 1.731 121.710 119.950 0.048 0.000 2.418 430 F HA 0.704 5.231 4.527 0.001 0.000 0.341 430 F C 0.837 176.606 175.800 -0.053 0.000 1.120 430 F CA 0.324 58.249 58.000 -0.124 0.000 1.232 430 F CB 1.099 40.021 39.000 -0.130 0.000 1.175 430 F HN 0.916 nan 8.300 nan 0.000 0.569 431 A N 4.645 127.227 122.820 -0.396 0.000 2.279 431 A HA 0.504 4.825 4.320 0.000 0.000 0.306 431 A C 0.603 178.247 177.584 0.100 0.000 1.300 431 A CA 0.486 52.426 52.037 -0.161 0.000 0.925 431 A CB 0.138 18.927 19.000 -0.352 0.000 1.152 431 A HN 1.127 nan 8.150 nan 0.000 0.544 432 S N 1.889 117.713 115.700 0.207 0.000 3.938 432 S HA -0.341 4.129 4.470 0.000 0.000 0.624 432 S C 1.086 175.848 174.600 0.270 0.000 2.186 432 S CA 1.897 60.237 58.200 0.233 0.000 4.144 432 S CB -1.008 62.379 63.200 0.311 0.000 0.230 432 S HN 1.431 nan 8.310 nan 0.000 0.755 433 N N 1.844 120.658 118.700 0.191 0.000 2.273 433 N HA 0.414 5.154 4.740 0.000 0.000 0.231 433 N C 0.255 175.851 175.510 0.144 0.000 1.134 433 N CA 1.702 54.835 53.050 0.139 0.000 0.856 433 N CB 0.274 38.737 38.487 -0.039 0.000 1.068 433 N HN 1.330 nan 8.380 nan 0.000 0.510 434 G N -0.031 108.823 108.800 0.090 0.000 2.728 434 G HA2 -0.214 3.746 3.960 0.000 0.000 0.294 434 G HA3 -0.214 3.746 3.960 0.000 0.000 0.294 434 G C -0.673 173.776 174.900 -0.752 0.000 1.342 434 G CA -0.472 44.477 45.100 -0.253 0.000 0.866 434 G HN 0.224 nan 8.290 nan 0.000 0.534 435 L N -0.019 120.737 121.223 -0.779 0.000 2.467 435 L HA 0.218 4.558 4.340 0.000 0.000 0.270 435 L C 1.779 178.283 176.870 -0.611 0.000 1.205 435 L CA -0.423 53.898 54.840 -0.864 0.000 0.828 435 L CB 0.281 42.040 42.059 -0.500 0.000 1.101 435 L HN 0.652 nan 8.230 nan 0.000 0.479 436 Y N 1.207 121.170 120.300 -0.562 0.000 2.165 436 Y HA -0.122 4.428 4.550 0.001 0.000 0.286 436 Y C 0.537 175.942 175.900 -0.826 0.000 1.155 436 Y CA 1.503 59.203 58.100 -0.667 0.000 1.164 436 Y CB -0.010 37.998 38.460 -0.753 0.000 0.978 436 Y HN 0.247 nan 8.280 nan 0.000 0.513 437 F N -0.983 118.924 119.950 -0.072 0.000 2.518 437 F HA 0.597 5.124 4.527 -0.000 0.000 0.323 437 F C 0.141 175.831 175.800 -0.184 0.000 1.129 437 F CA -1.896 56.039 58.000 -0.109 0.000 0.920 437 F CB 0.858 39.794 39.000 -0.107 0.000 1.160 437 F HN -0.262 nan 8.300 nan 0.000 0.440 438 A N 4.689 127.508 122.820 -0.002 0.000 2.520 438 A HA 0.631 4.951 4.320 0.000 0.000 0.245 438 A C 0.037 177.540 177.584 -0.135 0.000 1.072 438 A CA -0.274 51.710 52.037 -0.089 0.000 0.761 438 A CB 0.043 19.000 19.000 -0.072 0.000 1.004 438 A HN 0.876 nan 8.150 nan 0.000 0.499 439 R N 0.946 121.293 120.500 -0.255 0.000 2.626 439 R HA 0.744 5.085 4.340 0.000 0.000 0.274 439 R C -0.930 175.169 176.300 -0.336 0.000 1.031 439 R CA -0.588 55.314 56.100 -0.330 0.000 0.898 439 R CB 1.484 31.532 30.300 -0.419 0.000 1.222 439 R HN 0.513 nan 8.270 nan 0.000 0.455 440 T N 0.951 115.361 114.554 -0.241 0.000 2.916 440 T HA 0.542 4.893 4.350 0.000 0.000 0.292 440 T C -0.430 174.151 174.700 -0.199 0.000 1.064 440 T CA -0.281 61.684 62.100 -0.225 0.000 1.011 440 T CB 0.469 68.970 68.868 -0.611 0.000 1.152 440 T HN 0.550 nan 8.240 nan 0.000 0.510 441 F N 0.889 120.858 119.950 0.033 0.000 2.871 441 F HA -0.183 4.344 4.527 -0.000 0.000 0.326 441 F C 0.840 176.580 175.800 -0.099 0.000 0.675 441 F CA 0.736 58.678 58.000 -0.098 0.000 1.188 441 F CB -3.069 35.889 39.000 -0.070 0.000 1.567 441 F HN 0.788 nan 8.300 nan 0.000 0.325 442 H N 0.195 119.249 119.070 -0.026 0.000 2.660 442 H HA 0.663 5.219 4.556 -0.000 0.000 0.374 442 H C 0.691 175.989 175.328 -0.050 0.000 1.291 442 H CA 0.421 56.438 56.048 -0.052 0.000 1.437 442 H CB 0.531 30.267 29.762 -0.044 0.000 1.509 442 H HN 0.241 nan 8.280 nan 0.000 0.614 443 T N -1.944 112.589 114.554 -0.036 0.000 2.887 443 T HA 0.637 4.987 4.350 0.000 0.000 0.292 443 T C -0.577 174.156 174.700 0.055 0.000 1.087 443 T CA -0.626 61.433 62.100 -0.069 0.000 1.009 443 T CB 1.631 70.476 68.868 -0.037 0.000 1.203 443 T HN 0.969 nan 8.240 nan 0.000 0.518 444 S N -0.513 115.240 115.700 0.090 0.000 2.547 444 S HA 0.767 5.237 4.470 0.000 0.000 0.270 444 S C -0.907 173.816 174.600 0.205 0.000 1.150 444 S CA -0.493 57.824 58.200 0.194 0.000 0.850 444 S CB 1.152 64.590 63.200 0.397 0.000 1.118 444 S HN 2.009 nan 8.310 nan 0.000 0.461 445 V N -1.248 118.823 119.914 0.261 0.000 2.971 445 V HA 0.905 5.025 4.120 0.000 0.000 0.309 445 V C -0.329 175.900 176.094 0.224 0.000 1.130 445 V CA -0.916 61.519 62.300 0.225 0.000 0.964 445 V CB 1.302 33.254 31.823 0.215 0.000 1.029 445 V HN 1.203 nan 8.190 nan 0.000 0.427 446 V N 5.311 125.338 119.914 0.189 0.000 2.530 446 V HA 0.508 4.628 4.120 0.000 0.000 0.282 446 V C 0.045 176.211 176.094 0.120 0.000 1.048 446 V CA -0.098 62.307 62.300 0.176 0.000 0.997 446 V CB 0.814 32.758 31.823 0.202 0.000 0.987 446 V HN 0.826 nan 8.190 nan 0.000 0.477 447 L N 7.669 128.953 121.223 0.102 0.000 2.416 447 L HA 0.443 4.783 4.340 0.000 0.000 0.262 447 L C -1.391 175.419 176.870 -0.100 0.000 1.093 447 L CA -1.830 53.027 54.840 0.029 0.000 0.801 447 L CB 0.796 42.954 42.059 0.165 0.000 1.191 447 L HN 0.395 nan 8.230 nan 0.000 0.459 448 P HA -0.184 nan 4.420 nan 0.000 0.216 448 P C 0.486 177.634 177.300 -0.253 0.000 1.150 448 P CA 1.226 64.045 63.100 -0.470 0.000 0.843 448 P CB -0.028 31.068 31.700 -1.007 0.000 0.787 449 D N -2.142 118.113 120.400 -0.242 0.000 2.336 449 D HA 0.091 4.732 4.640 0.000 0.000 0.229 449 D C 1.396 177.672 176.300 -0.040 0.000 1.061 449 D CA 0.541 54.459 54.000 -0.137 0.000 0.875 449 D CB -1.040 39.683 40.800 -0.128 0.000 0.904 449 D HN 0.235 nan 8.370 nan 0.000 0.525 450 G N 0.131 108.934 108.800 0.005 0.000 2.179 450 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 450 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 450 G C 0.451 175.372 174.900 0.035 0.000 0.977 450 G CA 0.486 45.636 45.100 0.083 0.000 0.641 450 G HN 0.853 nan 8.290 nan 0.000 0.533 451 S N -0.384 115.319 115.700 0.005 0.000 2.603 451 S HA 0.651 5.121 4.470 0.000 0.000 0.268 451 S C 0.053 174.685 174.600 0.053 0.000 1.317 451 S CA 0.631 58.817 58.200 -0.024 0.000 1.012 451 S CB 1.881 65.081 63.200 -0.001 0.000 0.926 451 S HN 0.580 nan 8.310 nan 0.000 0.539 452 T N 2.719 117.299 114.554 0.044 0.000 2.770 452 T HA 0.421 4.771 4.350 0.000 0.000 0.283 452 T C -0.969 173.808 174.700 0.129 0.000 0.988 452 T CA -0.297 61.864 62.100 0.102 0.000 0.957 452 T CB 0.267 69.167 68.868 0.053 0.000 0.930 452 T HN 0.551 nan 8.240 nan 0.000 0.443 453 F N 5.033 125.000 119.950 0.028 0.000 2.411 453 F HA 0.670 5.201 4.527 0.006 0.000 0.350 453 F C -0.790 175.018 175.800 0.013 0.000 1.114 453 F CA -1.249 56.747 58.000 -0.007 0.000 1.135 453 F CB 0.337 39.324 39.000 -0.022 0.000 1.120 453 F HN 0.427 nan 8.300 nan 0.000 0.495 454 I N 5.668 125.830 120.570 -0.679 0.000 2.466 454 I HA 0.385 4.555 4.170 0.000 0.000 0.289 454 I C -0.393 175.359 176.117 -0.608 0.000 1.026 454 I CA -0.454 60.592 61.300 -0.423 0.000 1.078 454 I CB 2.128 39.952 38.000 -0.292 0.000 1.249 454 I HN 0.578 nan 8.210 nan 0.000 0.429 455 T N 3.588 117.935 114.554 -0.345 0.000 2.923 455 T HA 0.722 5.073 4.350 0.000 0.000 0.311 455 T C -0.163 174.486 174.700 -0.085 0.000 1.183 455 T CA 0.574 62.508 62.100 -0.277 0.000 1.020 455 T CB 1.570 70.286 68.868 -0.253 0.000 1.165 455 T HN 1.164 nan 8.240 nan 0.000 0.482 456 G N 1.557 110.278 108.800 -0.131 0.000 2.593 456 G HA2 0.402 4.362 3.960 0.000 0.000 0.237 456 G HA3 0.402 4.362 3.960 0.000 0.000 0.237 456 G C 0.594 175.423 174.900 -0.119 0.000 1.312 456 G CA 0.316 45.322 45.100 -0.157 0.000 0.896 456 G HN 2.508 nan 8.290 nan 0.000 0.574 457 G N -1.824 106.923 108.800 -0.089 0.000 2.710 457 G HA2 0.547 4.508 3.960 0.000 0.000 0.668 457 G HA3 0.547 4.508 3.960 0.000 0.000 0.668 457 G C -0.360 174.450 174.900 -0.152 0.000 1.320 457 G CA 0.876 45.953 45.100 -0.039 0.000 0.860 457 G HN 2.516 nan 8.290 nan 0.000 0.538 458 Q N -1.358 118.355 119.800 -0.145 0.000 2.501 458 Q HA 0.712 5.052 4.340 0.000 0.000 0.288 458 Q C 0.935 176.827 176.000 -0.180 0.000 1.051 458 Q CA -0.851 54.850 55.803 -0.170 0.000 0.788 458 Q CB 1.768 30.440 28.738 -0.111 0.000 1.469 458 Q HN 0.669 nan 8.270 nan 0.000 0.416 459 R N 0.027 120.440 120.500 -0.145 0.000 2.153 459 R HA 0.069 4.409 4.340 0.000 0.000 0.218 459 R C 0.141 176.366 176.300 -0.126 0.000 1.072 459 R CA 0.823 56.852 56.100 -0.120 0.000 0.990 459 R CB 0.457 30.713 30.300 -0.074 0.000 0.889 459 R HN 0.627 nan 8.270 nan 0.000 0.452 460 R N -0.370 120.058 120.500 -0.121 0.000 2.476 460 R HA 0.254 4.594 4.340 0.000 0.000 0.305 460 R C -1.155 175.065 176.300 -0.132 0.000 0.965 460 R CA -0.424 55.608 56.100 -0.112 0.000 0.867 460 R CB 1.805 32.069 30.300 -0.060 0.000 1.176 460 R HN 0.176 nan 8.270 nan 0.000 0.447 461 G N 5.361 114.037 108.800 -0.207 0.000 2.367 461 G HA2 0.311 4.271 3.960 0.000 0.000 0.280 461 G HA3 0.311 4.271 3.960 0.000 0.000 0.280 461 G C -0.131 174.805 174.900 0.060 0.000 1.175 461 G CA -0.194 44.764 45.100 -0.235 0.000 1.001 461 G HN 0.592 nan 8.290 nan 0.000 0.437 462 I N 4.492 125.157 120.570 0.158 0.000 2.641 462 I HA 0.178 4.348 4.170 0.000 0.000 0.275 462 I C -2.412 173.723 176.117 0.031 0.000 1.129 462 I CA -1.879 59.475 61.300 0.090 0.000 1.094 462 I CB 2.514 40.548 38.000 0.056 0.000 1.232 462 I HN 0.244 nan 8.210 nan 0.000 0.503 463 P HA 0.016 nan 4.420 nan 0.000 0.263 463 P C -0.071 177.012 177.300 -0.362 0.000 1.175 463 P CA 0.629 63.278 63.100 -0.751 0.000 0.761 463 P CB 0.070 30.994 31.700 -1.293 0.000 0.794 464 F N -0.931 119.019 119.950 0.000 0.000 2.748 464 F HA -0.224 4.302 4.527 -0.000 0.000 0.370 464 F C 0.686 176.508 175.800 0.037 0.000 0.620 464 F CA 0.954 58.987 58.000 0.055 0.000 1.233 464 F CB -1.908 37.141 39.000 0.082 0.000 1.708 464 F HN 0.336 nan 8.300 nan 0.000 0.298 465 E N 1.019 121.304 120.200 0.142 0.000 2.171 465 E HA 0.319 4.669 4.350 0.000 0.000 0.271 465 E C -0.189 176.451 176.600 0.066 0.000 0.916 465 E CA -0.481 55.980 56.400 0.100 0.000 0.774 465 E CB 0.868 30.616 29.700 0.081 0.000 1.128 465 E HN 0.039 nan 8.360 nan 0.000 0.403 466 D N 2.721 123.153 120.400 0.054 0.000 2.676 466 D HA 0.041 4.681 4.640 0.000 0.000 0.239 466 D C -0.213 176.081 176.300 -0.010 0.000 1.213 466 D CA 0.205 54.221 54.000 0.027 0.000 0.835 466 D CB -0.025 40.811 40.800 0.061 0.000 1.009 466 D HN 0.302 nan 8.370 nan 0.000 0.479 467 S N -0.934 114.762 115.700 -0.006 0.000 2.652 467 S HA 0.265 4.736 4.470 0.000 0.000 0.270 467 S C 0.890 175.455 174.600 -0.060 0.000 1.243 467 S CA -0.301 57.887 58.200 -0.020 0.000 0.999 467 S CB 1.047 64.246 63.200 -0.003 0.000 0.973 467 S HN 0.302 nan 8.310 nan 0.000 0.544 468 T N -2.282 112.235 114.554 -0.062 0.000 3.580 468 T HA -0.126 4.224 4.350 0.000 0.000 0.376 468 T C -1.905 172.690 174.700 -0.175 0.000 0.765 468 T CA 0.431 62.476 62.100 -0.091 0.000 1.870 468 T CB -2.410 66.415 68.868 -0.071 0.000 1.788 468 T HN 0.649 nan 8.240 nan 0.000 0.692 469 P HA 0.497 nan 4.420 nan 0.000 0.274 469 P C -0.093 176.837 177.300 -0.616 0.000 1.231 469 P CA -0.518 62.292 63.100 -0.483 0.000 0.790 469 P CB 1.240 32.507 31.700 -0.722 0.000 0.951 470 V N 3.593 123.132 119.914 -0.624 0.000 2.347 470 V HA 0.183 4.303 4.120 0.000 0.000 0.280 470 V C 0.727 176.412 176.094 -0.681 0.000 1.021 470 V CA 0.002 61.928 62.300 -0.623 0.000 0.847 470 V CB 0.331 31.873 31.823 -0.468 0.000 0.990 470 V HN 0.417 nan 8.190 nan 0.000 0.444 471 F N 1.284 120.993 119.950 -0.402 0.000 2.746 471 F HA 0.151 4.678 4.527 -0.001 0.000 0.297 471 F C 1.416 177.036 175.800 -0.301 0.000 1.113 471 F CA 0.159 57.959 58.000 -0.334 0.000 1.367 471 F CB 0.317 39.149 39.000 -0.280 0.000 1.111 471 F HN 0.369 nan 8.300 nan 0.000 0.590 472 T N 3.729 118.142 114.554 -0.234 0.000 2.738 472 T HA 0.298 4.648 4.350 0.000 0.000 0.298 472 T C -2.428 172.221 174.700 -0.084 0.000 0.962 472 T CA -1.555 60.472 62.100 -0.121 0.000 0.972 472 T CB 1.303 70.090 68.868 -0.136 0.000 0.928 472 T HN -0.233 nan 8.240 nan 0.000 0.474 473 P HA 0.398 nan 4.420 nan 0.000 0.274 473 P C -0.437 176.822 177.300 -0.069 0.000 1.256 473 P CA -0.599 62.411 63.100 -0.149 0.000 0.795 473 P CB 0.934 32.465 31.700 -0.282 0.000 1.038 474 E N -0.043 120.079 120.200 -0.130 0.000 2.317 474 E HA 0.599 4.949 4.350 0.000 0.000 0.270 474 E C -0.764 175.863 176.600 0.046 0.000 0.885 474 E CA -0.695 55.739 56.400 0.055 0.000 0.760 474 E CB 1.919 31.711 29.700 0.153 0.000 1.227 474 E HN 0.299 nan 8.360 nan 0.000 0.434 475 I N 2.197 122.894 120.570 0.211 0.000 2.465 475 I HA 0.241 4.411 4.170 0.000 0.000 0.291 475 I C -1.188 175.046 176.117 0.194 0.000 1.014 475 I CA -0.968 60.450 61.300 0.197 0.000 1.093 475 I CB 1.161 39.285 38.000 0.207 0.000 1.267 475 I HN 0.516 nan 8.210 nan 0.000 0.431 476 Y N 6.925 127.140 120.300 -0.142 0.000 2.313 476 Y HA 0.485 5.035 4.550 -0.000 0.000 0.332 476 Y C -0.633 175.076 175.900 -0.319 0.000 1.071 476 Y CA -0.475 57.311 58.100 -0.523 0.000 1.169 476 Y CB 1.181 39.115 38.460 -0.876 0.000 1.192 476 Y HN 0.222 nan 8.280 nan 0.000 0.487 477 V N 10.225 129.616 119.914 -0.871 0.000 2.293 477 V HA 0.221 4.341 4.120 0.000 0.000 0.275 477 V C -1.700 173.872 176.094 -0.870 0.000 1.021 477 V CA -1.453 60.499 62.300 -0.581 0.000 0.815 477 V CB 1.231 32.944 31.823 -0.184 0.000 1.025 477 V HN 0.756 nan 8.190 nan 0.000 0.448 478 P HA -0.169 nan 4.420 nan 0.000 0.217 478 P C 1.319 178.463 177.300 -0.261 0.000 1.150 478 P CA 1.024 63.805 63.100 -0.532 0.000 0.832 478 P CB 0.646 32.195 31.700 -0.252 0.000 0.787 479 E N -0.003 120.089 120.200 -0.181 0.000 2.268 479 E HA -0.173 4.177 4.350 0.000 0.000 0.195 479 E C 1.703 178.245 176.600 -0.096 0.000 0.995 479 E CA 0.776 57.123 56.400 -0.088 0.000 0.836 479 E CB -0.083 29.581 29.700 -0.060 0.000 0.763 479 E HN 0.324 nan 8.360 nan 0.000 0.491 480 Q N -0.096 119.609 119.800 -0.159 0.000 2.282 480 Q HA 0.001 4.341 4.340 0.000 0.000 0.206 480 Q C -0.281 175.619 176.000 -0.167 0.000 0.878 480 Q CA 0.273 56.007 55.803 -0.116 0.000 0.944 480 Q CB 0.611 29.325 28.738 -0.040 0.000 1.100 480 Q HN 0.152 nan 8.270 nan 0.000 0.509 481 D N 1.438 121.676 120.400 -0.271 0.000 2.720 481 D HA -0.156 4.485 4.640 0.000 0.000 0.229 481 D C -1.267 174.899 176.300 -0.224 0.000 1.198 481 D CA 1.004 54.871 54.000 -0.222 0.000 0.639 481 D CB -0.692 40.112 40.800 0.006 0.000 1.003 481 D HN 0.081 nan 8.370 nan 0.000 0.411 482 T N 0.916 115.190 114.554 -0.468 0.000 2.916 482 T HA 0.531 4.882 4.350 0.000 0.000 0.298 482 T C -0.268 174.164 174.700 -0.447 0.000 1.031 482 T CA -0.617 61.274 62.100 -0.348 0.000 0.993 482 T CB 0.720 69.383 68.868 -0.342 0.000 1.045 482 T HN 0.024 nan 8.240 nan 0.000 0.454 483 F N 1.811 121.657 119.950 -0.173 0.000 2.397 483 F HA 0.615 5.142 4.527 -0.000 0.000 0.331 483 F C -0.344 175.405 175.800 -0.086 0.000 1.090 483 F CA -0.602 57.397 58.000 -0.001 0.000 1.065 483 F CB 1.012 40.048 39.000 0.060 0.000 1.184 483 F HN 0.487 nan 8.300 nan 0.000 0.499 484 Y N 1.360 121.861 120.300 0.334 0.000 2.361 484 Y HA 0.346 4.897 4.550 0.002 0.000 0.337 484 Y C -0.213 175.730 175.900 0.071 0.000 0.965 484 Y CA -1.329 56.883 58.100 0.185 0.000 1.091 484 Y CB 1.570 40.080 38.460 0.083 0.000 1.182 484 Y HN 0.381 nan 8.280 nan 0.000 0.450 485 K N 3.366 123.741 120.400 -0.042 0.000 2.382 485 K HA 0.170 4.490 4.320 0.000 0.000 0.275 485 K C -0.263 176.386 176.600 0.082 0.000 1.009 485 K CA -0.447 55.790 56.287 -0.084 0.000 0.970 485 K CB 0.548 32.877 32.500 -0.284 0.000 0.934 485 K HN 0.545 nan 8.250 nan 0.000 0.479 486 Q N 1.206 121.080 119.800 0.122 0.000 2.252 486 Q HA 0.244 4.584 4.340 0.000 0.000 0.256 486 Q C -0.199 175.931 176.000 0.217 0.000 1.020 486 Q CA -0.908 55.014 55.803 0.199 0.000 0.913 486 Q CB 0.627 29.514 28.738 0.248 0.000 1.286 486 Q HN 0.456 nan 8.270 nan 0.000 0.480 487 N N 2.682 121.557 118.700 0.291 0.000 2.412 487 N HA 0.111 4.851 4.740 0.000 0.000 0.254 487 N C -2.196 173.570 175.510 0.427 0.000 1.232 487 N CA -0.470 52.757 53.050 0.295 0.000 0.880 487 N CB 0.109 38.765 38.487 0.283 0.000 1.076 487 N HN 0.244 nan 8.380 nan 0.000 0.458 488 P HA 0.100 nan 4.420 nan 0.000 0.276 488 P C -0.373 176.933 177.300 0.010 0.000 1.244 488 P CA -0.478 62.708 63.100 0.143 0.000 0.801 488 P CB 1.006 32.720 31.700 0.024 0.000 1.006 489 N N -0.030 118.463 118.700 -0.344 0.000 2.643 489 N HA 0.205 4.945 4.740 0.000 0.000 0.305 489 N C 0.047 175.334 175.510 -0.371 0.000 1.283 489 N CA -0.634 52.014 53.050 -0.671 0.000 0.946 489 N CB 0.434 37.950 38.487 -1.619 0.000 1.149 489 N HN 0.226 nan 8.380 nan 0.000 0.600 490 S N -1.168 114.323 115.700 -0.348 0.000 2.666 490 S HA 0.401 4.871 4.470 0.000 0.000 0.239 490 S C 0.216 174.713 174.600 -0.171 0.000 1.031 490 S CA -0.401 57.576 58.200 -0.371 0.000 1.015 490 S CB 0.076 63.123 63.200 -0.257 0.000 0.981 490 S HN 0.479 nan 8.310 nan 0.000 0.547 491 I N 2.092 122.609 120.570 -0.089 0.000 2.389 491 I HA 0.333 4.503 4.170 0.000 0.000 0.288 491 I C -0.370 175.677 176.117 -0.118 0.000 0.999 491 I CA -0.868 60.380 61.300 -0.087 0.000 1.129 491 I CB 1.812 39.698 38.000 -0.190 0.000 1.288 491 I HN -0.161 nan 8.210 nan 0.000 0.444 492 V N 7.166 127.005 119.914 -0.125 0.000 2.599 492 V HA 0.103 4.223 4.120 0.000 0.000 0.300 492 V C 0.446 176.260 176.094 -0.467 0.000 1.034 492 V CA -0.023 62.090 62.300 -0.312 0.000 1.115 492 V CB 0.153 31.863 31.823 -0.188 0.000 0.934 492 V HN 0.597 nan 8.190 nan 0.000 0.485 493 R N 4.395 124.680 120.500 -0.360 0.000 2.443 493 R HA 0.414 4.754 4.340 0.000 0.000 0.287 493 R C -0.251 175.944 176.300 -0.175 0.000 1.425 493 R CA -0.178 55.753 56.100 -0.282 0.000 1.300 493 R CB 1.100 31.263 30.300 -0.228 0.000 1.129 493 R HN 0.659 nan 8.270 nan 0.000 0.577 494 V N -1.004 118.836 119.914 -0.123 0.000 6.636 494 V HA 0.460 4.580 4.120 0.000 0.000 0.271 494 V C 0.363 176.426 176.094 -0.052 0.000 1.655 494 V CA -0.829 61.468 62.300 -0.005 0.000 0.583 494 V CB -0.339 31.513 31.823 0.048 0.000 1.526 494 V HN 0.378 nan 8.190 nan 0.000 0.370 495 Y N 1.987 122.081 120.300 -0.343 0.000 2.805 495 Y HA 0.138 4.689 4.550 0.001 0.000 0.331 495 Y C 1.012 176.556 175.900 -0.593 0.000 1.241 495 Y CA 1.372 58.949 58.100 -0.871 0.000 1.546 495 Y CB -1.292 36.398 38.460 -1.284 0.000 1.248 495 Y HN 0.798 nan 8.280 nan 0.000 0.559 496 H N 1.198 119.648 119.070 -1.034 0.000 2.999 496 H HA -0.166 4.390 4.556 0.000 0.000 0.262 496 H C 0.135 175.186 175.328 -0.462 0.000 1.240 496 H CA 0.168 55.723 56.048 -0.821 0.000 1.115 496 H CB -1.440 27.977 29.762 -0.576 0.000 1.274 496 H HN 0.563 nan 8.280 nan 0.000 0.358 497 S N 0.563 116.096 115.700 -0.279 0.000 2.687 497 S HA 0.744 5.214 4.470 0.000 0.000 0.283 497 S C 0.169 174.658 174.600 -0.186 0.000 1.170 497 S CA -0.424 57.663 58.200 -0.189 0.000 1.008 497 S CB 2.545 65.653 63.200 -0.154 0.000 1.026 497 S HN 0.430 nan 8.310 nan 0.000 0.541 498 I N -2.361 118.144 120.570 -0.109 0.000 2.969 498 I HA 0.865 5.035 4.170 0.000 0.000 0.307 498 I C -0.746 175.395 176.117 0.039 0.000 1.149 498 I CA -0.710 60.551 61.300 -0.064 0.000 1.008 498 I CB 2.046 40.008 38.000 -0.064 0.000 1.232 498 I HN 0.552 nan 8.210 nan 0.000 0.435 499 S N 3.786 119.533 115.700 0.078 0.000 2.549 499 S HA 0.885 5.356 4.470 0.000 0.000 0.280 499 S C -0.980 173.730 174.600 0.183 0.000 1.109 499 S CA -0.623 57.686 58.200 0.181 0.000 0.905 499 S CB 1.593 64.922 63.200 0.214 0.000 1.081 499 S HN 0.609 nan 8.310 nan 0.000 0.477 500 L N 2.026 123.399 121.223 0.250 0.000 2.434 500 L HA 0.562 4.902 4.340 0.000 0.000 0.260 500 L C -1.249 175.743 176.870 0.204 0.000 0.983 500 L CA -0.965 53.991 54.840 0.194 0.000 0.820 500 L CB 1.768 43.922 42.059 0.160 0.000 1.361 500 L HN 0.476 nan 8.230 nan 0.000 0.410 501 L N 2.623 123.938 121.223 0.152 0.000 2.367 501 L HA 0.401 4.742 4.340 0.000 0.000 0.275 501 L C -0.599 176.360 176.870 0.148 0.000 1.129 501 L CA 0.421 55.341 54.840 0.134 0.000 0.839 501 L CB 0.616 42.731 42.059 0.095 0.000 1.133 501 L HN 0.369 nan 8.230 nan 0.000 0.453 502 L N 7.041 128.370 121.223 0.177 0.000 2.399 502 L HA 0.362 4.702 4.340 0.000 0.000 0.266 502 L C -1.285 175.707 176.870 0.203 0.000 1.114 502 L CA -1.638 53.317 54.840 0.192 0.000 0.804 502 L CB 0.648 42.849 42.059 0.236 0.000 1.146 502 L HN 0.520 nan 8.230 nan 0.000 0.451 503 P HA -0.161 nan 4.420 nan 0.000 0.221 503 P C 0.501 177.931 177.300 0.217 0.000 1.145 503 P CA 0.983 64.172 63.100 0.149 0.000 0.795 503 P CB -0.005 31.754 31.700 0.098 0.000 0.775 504 D N -1.851 118.665 120.400 0.193 0.000 2.340 504 D HA 0.078 4.718 4.640 0.000 0.000 0.220 504 D C 1.405 177.828 176.300 0.205 0.000 1.039 504 D CA 0.545 54.651 54.000 0.177 0.000 0.866 504 D CB -0.886 39.975 40.800 0.102 0.000 0.913 504 D HN 0.207 nan 8.370 nan 0.000 0.523 505 G N 0.084 109.025 108.800 0.236 0.000 2.175 505 G HA2 -0.301 3.659 3.960 0.000 0.000 0.244 505 G HA3 -0.301 3.659 3.960 0.000 0.000 0.244 505 G C 0.379 175.326 174.900 0.078 0.000 0.982 505 G CA 0.022 45.165 45.100 0.072 0.000 0.641 505 G HN 0.484 nan 8.290 nan 0.000 0.527 506 R N -0.770 119.766 120.500 0.060 0.000 2.553 506 R HA 0.689 5.029 4.340 0.000 0.000 0.263 506 R C -0.113 176.202 176.300 0.025 0.000 1.066 506 R CA -0.569 55.517 56.100 -0.024 0.000 1.135 506 R CB 1.414 31.709 30.300 -0.007 0.000 1.148 506 R HN 0.080 nan 8.270 nan 0.000 0.558 507 V N 1.530 121.420 119.914 -0.041 0.000 2.513 507 V HA 0.324 4.444 4.120 0.000 0.000 0.299 507 V C -0.940 175.249 176.094 0.158 0.000 1.035 507 V CA -0.625 61.694 62.300 0.032 0.000 0.889 507 V CB 1.508 33.224 31.823 -0.178 0.000 0.988 507 V HN 0.512 nan 8.190 nan 0.000 0.440 508 F N 5.137 125.145 119.950 0.098 0.000 2.388 508 F HA 0.502 5.027 4.527 -0.003 0.000 0.358 508 F C 0.043 175.925 175.800 0.137 0.000 1.122 508 F CA -0.149 57.916 58.000 0.108 0.000 1.056 508 F CB 0.761 39.841 39.000 0.133 0.000 1.155 508 F HN 0.567 nan 8.300 nan 0.000 0.461 509 N N 4.600 123.249 118.700 -0.086 0.000 2.399 509 N HA 0.680 5.420 4.740 0.000 0.000 0.284 509 N C -0.892 174.508 175.510 -0.183 0.000 1.025 509 N CA -0.281 52.798 53.050 0.048 0.000 0.885 509 N CB 1.809 40.502 38.487 0.343 0.000 1.339 509 N HN 0.879 nan 8.380 nan 0.000 0.487 510 G N 0.929 109.652 108.800 -0.129 0.000 2.682 510 G HA2 0.695 4.655 3.960 0.000 0.000 0.303 510 G HA3 0.695 4.655 3.960 0.000 0.000 0.303 510 G C -0.164 174.678 174.900 -0.096 0.000 1.341 510 G CA -0.031 44.972 45.100 -0.161 0.000 0.784 510 G HN 0.884 nan 8.290 nan 0.000 0.497 511 G N -1.556 107.199 108.800 -0.076 0.000 2.642 511 G HA2 0.527 4.487 3.960 0.000 0.000 0.231 511 G HA3 0.527 4.487 3.960 0.000 0.000 0.231 511 G C 0.818 175.672 174.900 -0.076 0.000 1.338 511 G CA 1.056 46.111 45.100 -0.074 0.000 0.883 511 G HN 3.009 nan 8.290 nan 0.000 0.570 512 G N -2.265 106.497 108.800 -0.063 0.000 3.069 512 G HA2 0.569 4.529 3.960 0.000 0.000 0.686 512 G HA3 0.569 4.529 3.960 0.000 0.000 0.686 512 G C 0.939 175.895 174.900 0.092 0.000 1.161 512 G CA 0.588 45.682 45.100 -0.009 0.000 0.804 512 G HN 3.192 nan 8.290 nan 0.000 0.608 513 G N 0.758 109.645 108.800 0.145 0.000 3.035 513 G HA2 0.307 4.267 3.960 0.000 0.000 0.242 513 G HA3 0.307 4.267 3.960 0.000 0.000 0.242 513 G C 0.552 175.718 174.900 0.442 0.000 1.524 513 G CA 0.825 46.079 45.100 0.258 0.000 1.038 513 G HN 2.613 nan 8.290 nan 0.000 0.561 514 L N -0.702 120.617 121.223 0.160 0.000 3.550 514 L HA -0.160 4.180 4.340 0.000 0.000 0.523 514 L C 1.041 178.018 176.870 0.179 0.000 1.312 514 L CA 1.624 56.540 54.840 0.127 0.000 0.864 514 L CB -1.359 40.763 42.059 0.105 0.000 1.592 514 L HN 1.959 nan 8.230 nan 0.000 0.859 515 C N -1.031 118.248 119.300 -0.036 0.000 2.994 515 C HA 0.804 5.264 4.460 0.000 0.000 0.250 515 C C 1.876 176.729 174.990 -0.228 0.000 1.814 515 C CA -0.319 58.524 59.018 -0.292 0.000 1.730 515 C CB -0.595 26.829 27.740 -0.527 0.000 3.258 515 C HN 1.739 nan 8.230 nan 0.000 0.472 516 G N 3.267 111.966 108.800 -0.169 0.000 2.602 516 G HA2 -0.404 3.556 3.960 0.000 0.000 0.310 516 G HA3 -0.404 3.556 3.960 0.000 0.000 0.310 516 G C 0.607 175.446 174.900 -0.101 0.000 1.183 516 G CA 1.346 46.360 45.100 -0.144 0.000 0.979 516 G HN 0.721 nan 8.290 nan 0.000 0.545 517 D N 1.509 121.850 120.400 -0.099 0.000 2.378 517 D HA 0.083 4.723 4.640 0.000 0.000 0.227 517 D C 1.732 177.993 176.300 -0.064 0.000 1.012 517 D CA 1.050 55.009 54.000 -0.069 0.000 0.905 517 D CB -1.593 39.170 40.800 -0.062 0.000 0.895 517 D HN 1.123 nan 8.370 nan 0.000 0.532 518 C N 0.401 119.651 119.300 -0.083 0.000 2.741 518 C HA 0.369 4.829 4.460 0.000 0.000 0.403 518 C C 1.964 176.914 174.990 -0.067 0.000 1.282 518 C CA 0.089 59.066 59.018 -0.068 0.000 2.053 518 C CB -0.054 27.644 27.740 -0.070 0.000 2.731 518 C HN 0.406 nan 8.230 nan 0.000 0.680 519 T N -2.439 112.073 114.554 -0.070 0.000 3.107 519 T HA 0.067 4.418 4.350 0.000 0.000 0.249 519 T C 0.936 175.530 174.700 -0.176 0.000 1.096 519 T CA 0.699 62.732 62.100 -0.112 0.000 1.012 519 T CB -0.790 68.017 68.868 -0.102 0.000 0.977 519 T HN 1.028 nan 8.240 nan 0.000 0.527 520 T N -0.468 114.009 114.554 -0.130 0.000 3.206 520 T HA 0.234 4.584 4.350 0.000 0.000 0.253 520 T C 0.348 174.909 174.700 -0.233 0.000 1.042 520 T CA -0.742 61.268 62.100 -0.149 0.000 0.931 520 T CB -0.369 68.515 68.868 0.027 0.000 1.029 520 T HN 0.159 nan 8.240 nan 0.000 0.564 521 N N 2.922 121.447 118.700 -0.292 0.000 2.513 521 N HA 0.101 4.842 4.740 0.000 0.000 0.268 521 N C -0.637 174.512 175.510 -0.601 0.000 1.180 521 N CA 0.093 52.903 53.050 -0.400 0.000 0.948 521 N CB 0.379 38.565 38.487 -0.502 0.000 1.083 521 N HN 0.464 nan 8.380 nan 0.000 0.455 522 H N 2.334 121.204 119.070 -0.333 0.000 2.685 522 H HA 0.192 4.748 4.556 0.000 0.000 0.307 522 H C -0.195 174.990 175.328 -0.238 0.000 1.017 522 H CA -0.370 55.555 56.048 -0.204 0.000 1.237 522 H CB 0.330 30.014 29.762 -0.130 0.000 1.409 522 H HN 0.418 nan 8.280 nan 0.000 0.488 523 F N 3.325 123.325 119.950 0.083 0.000 2.833 523 F HA 0.087 4.613 4.527 -0.001 0.000 0.327 523 F C 0.247 176.134 175.800 0.145 0.000 1.184 523 F CA -0.345 57.722 58.000 0.113 0.000 1.328 523 F CB -0.169 38.914 39.000 0.138 0.000 1.440 523 F HN 0.539 nan 8.300 nan 0.000 0.569 524 D N -0.371 120.144 120.400 0.192 0.000 2.738 524 D HA 0.719 5.359 4.640 0.000 0.000 0.308 524 D C -1.358 174.918 176.300 -0.039 0.000 1.311 524 D CA -0.944 53.125 54.000 0.114 0.000 0.799 524 D CB 1.133 42.025 40.800 0.154 0.000 1.332 524 D HN 0.067 nan 8.370 nan 0.000 0.441 525 A N -0.678 122.035 122.820 -0.179 0.000 2.594 525 A HA 0.756 5.076 4.320 0.000 0.000 0.291 525 A C -1.441 175.928 177.584 -0.359 0.000 1.105 525 A CA -0.751 51.024 52.037 -0.436 0.000 0.694 525 A CB 1.777 20.131 19.000 -1.076 0.000 1.291 525 A HN 0.483 nan 8.150 nan 0.000 0.410 526 Q N 0.157 119.784 119.800 -0.289 0.000 2.451 526 Q HA 0.569 4.909 4.340 0.000 0.000 0.281 526 Q C -1.197 174.792 176.000 -0.017 0.000 1.099 526 Q CA -0.975 54.801 55.803 -0.046 0.000 0.806 526 Q CB 2.262 31.139 28.738 0.233 0.000 1.419 526 Q HN 0.599 nan 8.270 nan 0.000 0.427 527 I N 1.594 122.196 120.570 0.053 0.000 2.353 527 I HA 0.299 4.469 4.170 0.000 0.000 0.293 527 I C -0.566 175.555 176.117 0.005 0.000 0.992 527 I CA -0.309 61.011 61.300 0.034 0.000 1.268 527 I CB 0.327 38.346 38.000 0.031 0.000 1.387 527 I HN 0.541 nan 8.210 nan 0.000 0.478 528 F N 5.242 124.928 119.950 -0.441 0.000 2.427 528 F HA 0.440 4.970 4.527 0.006 0.000 0.346 528 F C 0.093 175.544 175.800 -0.581 0.000 1.120 528 F CA -0.260 57.202 58.000 -0.897 0.000 1.033 528 F CB 1.332 39.367 39.000 -1.608 0.000 1.126 528 F HN 0.352 nan 8.300 nan 0.000 0.462 529 T N 8.299 122.164 114.554 -1.148 0.000 2.801 529 T HA 0.345 4.695 4.350 0.000 0.000 0.306 529 T C -2.561 171.418 174.700 -1.203 0.000 1.020 529 T CA -1.272 60.324 62.100 -0.841 0.000 0.948 529 T CB 1.014 69.637 68.868 -0.408 0.000 0.962 529 T HN 0.324 nan 8.240 nan 0.000 0.465 530 P HA 0.158 nan 4.420 nan 0.000 0.270 530 P C 0.868 177.772 177.300 -0.661 0.000 1.223 530 P CA -0.349 62.166 63.100 -0.975 0.000 0.785 530 P CB 0.613 31.497 31.700 -1.361 0.000 0.923 531 N N 1.204 119.671 118.700 -0.388 0.000 2.272 531 N HA -0.223 4.517 4.740 0.000 0.000 0.185 531 N C 1.328 176.791 175.510 -0.078 0.000 1.014 531 N CA 1.304 54.288 53.050 -0.110 0.000 0.870 531 N CB -0.719 37.717 38.487 -0.085 0.000 0.975 531 N HN 0.463 nan 8.380 nan 0.000 0.433 532 Y N -1.121 119.130 120.300 -0.082 0.000 2.639 532 Y HA 0.152 4.698 4.550 -0.005 0.000 0.297 532 Y C 1.229 177.044 175.900 -0.141 0.000 1.151 532 Y CA 0.283 58.321 58.100 -0.104 0.000 1.335 532 Y CB -0.806 37.581 38.460 -0.122 0.000 0.994 532 Y HN 0.072 nan 8.280 nan 0.000 0.548 533 L N -0.957 120.247 121.223 -0.031 0.000 2.607 533 L HA 0.188 4.528 4.340 0.000 0.000 0.228 533 L C -0.557 176.073 176.870 -0.400 0.000 1.123 533 L CA -0.149 54.571 54.840 -0.200 0.000 0.890 533 L CB -0.068 41.778 42.059 -0.355 0.000 1.103 533 L HN 0.081 nan 8.230 nan 0.000 0.468 534 Y N -0.301 119.960 120.300 -0.065 0.000 2.409 534 Y HA 0.292 4.849 4.550 0.011 0.000 0.339 534 Y C 0.651 176.528 175.900 -0.038 0.000 1.033 534 Y CA -0.912 57.150 58.100 -0.063 0.000 1.094 534 Y CB 0.865 39.269 38.460 -0.094 0.000 1.210 534 Y HN -0.082 nan 8.280 nan 0.000 0.456 535 N N 0.021 118.808 118.700 0.144 0.000 2.408 535 N HA -0.005 4.735 4.740 0.000 0.000 0.260 535 N C 0.972 176.521 175.510 0.066 0.000 1.242 535 N CA 0.580 53.676 53.050 0.077 0.000 0.959 535 N CB 1.267 39.787 38.487 0.055 0.000 1.201 535 N HN 0.770 nan 8.380 nan 0.000 0.511 536 S N 0.848 116.569 115.700 0.035 0.000 2.469 536 S HA -0.073 4.398 4.470 0.000 0.000 0.238 536 S C 1.122 175.729 174.600 0.012 0.000 0.998 536 S CA 0.595 58.805 58.200 0.017 0.000 0.957 536 S CB -0.148 63.058 63.200 0.010 0.000 0.764 536 S HN 0.522 nan 8.310 nan 0.000 0.514 537 N N 2.029 120.742 118.700 0.022 0.000 2.244 537 N HA 0.077 4.817 4.740 0.000 0.000 0.183 537 N C 1.546 177.062 175.510 0.010 0.000 1.016 537 N CA 1.275 54.335 53.050 0.017 0.000 0.866 537 N CB -0.659 37.843 38.487 0.025 0.000 0.980 537 N HN 0.716 nan 8.380 nan 0.000 0.430 538 G N -0.428 108.384 108.800 0.021 0.000 2.184 538 G HA2 -0.207 3.753 3.960 0.000 0.000 0.206 538 G HA3 -0.207 3.753 3.960 0.000 0.000 0.206 538 G C -0.166 174.777 174.900 0.072 0.000 0.995 538 G CA -0.362 44.724 45.100 -0.022 0.000 0.651 538 G HN 0.259 nan 8.290 nan 0.000 0.511 539 N N 0.248 119.024 118.700 0.127 0.000 2.489 539 N HA 0.540 5.280 4.740 0.000 0.000 0.284 539 N C 0.623 176.257 175.510 0.208 0.000 1.158 539 N CA -0.547 52.597 53.050 0.158 0.000 0.965 539 N CB 0.998 39.532 38.487 0.078 0.000 1.195 539 N HN 0.218 nan 8.380 nan 0.000 0.506 540 L N 1.376 122.669 121.223 0.118 0.000 2.559 540 L HA 0.066 4.407 4.340 0.000 0.000 0.274 540 L C 1.050 177.896 176.870 -0.041 0.000 1.205 540 L CA -0.208 54.588 54.840 -0.073 0.000 0.907 540 L CB 0.040 42.031 42.059 -0.114 0.000 1.153 540 L HN 0.524 nan 8.230 nan 0.000 0.490 541 A N 3.441 126.219 122.820 -0.069 0.000 2.386 541 A HA 0.313 4.633 4.320 0.000 0.000 0.248 541 A C 0.402 177.968 177.584 -0.031 0.000 1.082 541 A CA -0.359 51.662 52.037 -0.028 0.000 0.789 541 A CB 0.152 19.140 19.000 -0.020 0.000 1.025 541 A HN 0.691 nan 8.150 nan 0.000 0.490 542 T N 2.497 117.043 114.554 -0.013 0.000 2.888 542 T HA 0.269 4.620 4.350 0.000 0.000 0.301 542 T C 0.325 175.017 174.700 -0.013 0.000 1.001 542 T CA 0.487 62.581 62.100 -0.010 0.000 1.147 542 T CB -0.058 68.809 68.868 -0.002 0.000 0.931 542 T HN 0.569 nan 8.240 nan 0.000 0.541 543 R N 4.075 124.568 120.500 -0.012 0.000 2.393 543 R HA 0.378 4.718 4.340 0.000 0.000 0.310 543 R C -2.318 173.980 176.300 -0.002 0.000 0.968 543 R CA -2.058 54.036 56.100 -0.010 0.000 0.867 543 R CB 0.853 31.149 30.300 -0.007 0.000 1.124 543 R HN 0.444 nan 8.270 nan 0.000 0.450 544 P HA 0.006 nan 4.420 nan 0.000 0.268 544 P C -1.047 176.258 177.300 0.010 0.000 1.208 544 P CA 0.042 63.144 63.100 0.003 0.000 0.777 544 P CB 0.777 32.471 31.700 -0.009 0.000 0.875 545 K N 1.666 122.076 120.400 0.017 0.000 2.324 545 K HA 0.508 4.828 4.320 0.000 0.000 0.253 545 K C -0.237 176.380 176.600 0.027 0.000 0.932 545 K CA -0.783 55.515 56.287 0.018 0.000 0.799 545 K CB 1.699 34.209 32.500 0.017 0.000 1.154 545 K HN 0.381 nan 8.250 nan 0.000 0.425 546 I N 3.218 123.802 120.570 0.024 0.000 2.294 546 I HA -0.003 4.167 4.170 0.000 0.000 0.295 546 I C 1.406 177.541 176.117 0.031 0.000 1.098 546 I CA -0.084 61.237 61.300 0.035 0.000 1.277 546 I CB 0.776 38.793 38.000 0.029 0.000 1.434 546 I HN 0.800 nan 8.210 nan 0.000 0.498 547 T N 2.786 117.362 114.554 0.038 0.000 3.081 547 T HA 0.124 4.475 4.350 0.000 0.000 0.255 547 T C 0.744 175.459 174.700 0.024 0.000 1.113 547 T CA 0.047 62.163 62.100 0.027 0.000 1.082 547 T CB 0.200 69.084 68.868 0.027 0.000 0.939 547 T HN 0.585 nan 8.240 nan 0.000 0.506 548 R N 0.903 121.422 120.500 0.031 0.000 2.579 548 R HA 0.418 4.759 4.340 0.000 0.000 0.260 548 R C -1.778 174.540 176.300 0.030 0.000 1.103 548 R CA -0.303 55.811 56.100 0.024 0.000 0.942 548 R CB 1.681 31.991 30.300 0.018 0.000 1.251 548 R HN 0.315 nan 8.270 nan 0.000 0.450 549 T N -0.170 114.395 114.554 0.019 0.000 2.861 549 T HA 0.214 4.564 4.350 0.000 0.000 0.287 549 T C 1.064 175.759 174.700 -0.008 0.000 1.003 549 T CA -0.230 61.879 62.100 0.014 0.000 0.977 549 T CB 1.775 70.659 68.868 0.028 0.000 0.996 549 T HN 0.582 nan 8.240 nan 0.000 0.448 550 S N 1.834 117.514 115.700 -0.033 0.000 2.419 550 S HA 0.093 4.564 4.470 0.000 0.000 0.233 550 S C 0.942 175.520 174.600 -0.037 0.000 1.016 550 S CA 1.016 59.189 58.200 -0.044 0.000 0.974 550 S CB -0.466 62.690 63.200 -0.074 0.000 0.786 550 S HN 1.192 nan 8.310 nan 0.000 0.492 551 T N -0.799 113.736 114.554 -0.033 0.000 2.830 551 T HA 0.362 4.713 4.350 0.000 0.000 0.322 551 T C -1.129 173.573 174.700 0.004 0.000 1.501 551 T CA -0.667 61.421 62.100 -0.019 0.000 1.036 551 T CB 1.649 70.496 68.868 -0.034 0.000 1.379 551 T HN 0.152 nan 8.240 nan 0.000 0.493 552 Q N 0.856 120.668 119.800 0.020 0.000 2.247 552 Q HA 0.384 4.724 4.340 0.000 0.000 0.211 552 Q C -0.101 175.936 176.000 0.060 0.000 0.861 552 Q CA -0.192 55.642 55.803 0.051 0.000 0.949 552 Q CB 1.108 29.881 28.738 0.057 0.000 1.115 552 Q HN 0.377 nan 8.270 nan 0.000 0.507 553 S N 0.335 116.052 115.700 0.028 0.000 2.571 553 S HA 0.602 5.072 4.470 0.000 0.000 0.284 553 S C -1.657 172.938 174.600 -0.008 0.000 1.128 553 S CA -0.599 57.611 58.200 0.016 0.000 0.970 553 S CB 1.833 65.037 63.200 0.007 0.000 1.039 553 S HN 0.056 nan 8.310 nan 0.000 0.485 554 V N 5.019 124.924 119.914 -0.015 0.000 2.888 554 V HA 0.634 4.754 4.120 0.000 0.000 0.309 554 V C -1.033 175.036 176.094 -0.041 0.000 1.114 554 V CA -0.776 61.503 62.300 -0.036 0.000 0.940 554 V CB 2.044 33.840 31.823 -0.044 0.000 1.021 554 V HN 0.855 nan 8.190 nan 0.000 0.426 555 K N 3.631 124.004 120.400 -0.045 0.000 2.144 555 K HA 0.452 4.772 4.320 0.000 0.000 0.270 555 K C -0.180 176.388 176.600 -0.054 0.000 1.005 555 K CA -0.178 56.083 56.287 -0.044 0.000 0.932 555 K CB 1.632 34.109 32.500 -0.039 0.000 1.021 555 K HN 0.925 nan 8.250 nan 0.000 0.462 556 V N 0.627 120.509 119.914 -0.054 0.000 2.814 556 V HA 0.220 4.340 4.120 0.000 0.000 0.307 556 V C 1.185 177.245 176.094 -0.056 0.000 1.089 556 V CA 0.605 62.866 62.300 -0.066 0.000 1.212 556 V CB -0.042 31.746 31.823 -0.059 0.000 0.912 556 V HN 1.031 nan 8.190 nan 0.000 0.497 557 G N 2.286 111.052 108.800 -0.056 0.000 2.205 557 G HA2 -0.118 3.842 3.960 0.000 0.000 0.261 557 G HA3 -0.118 3.842 3.960 0.000 0.000 0.261 557 G C 0.687 175.560 174.900 -0.046 0.000 0.980 557 G CA 0.203 45.275 45.100 -0.045 0.000 0.632 557 G HN 1.917 nan 8.290 nan 0.000 0.533 558 G N -0.367 108.400 108.800 -0.054 0.000 2.539 558 G HA2 0.533 4.494 3.960 0.000 0.000 0.258 558 G HA3 0.533 4.494 3.960 0.000 0.000 0.258 558 G C 0.104 174.947 174.900 -0.095 0.000 1.202 558 G CA -0.473 44.586 45.100 -0.068 0.000 0.851 558 G HN 0.340 nan 8.290 nan 0.000 0.556 559 R N 0.086 120.511 120.500 -0.126 0.000 2.428 559 R HA 0.450 4.790 4.340 0.000 0.000 0.294 559 R C -0.381 175.735 176.300 -0.305 0.000 1.000 559 R CA -0.427 55.550 56.100 -0.204 0.000 0.960 559 R CB 1.511 31.721 30.300 -0.150 0.000 1.076 559 R HN 0.394 nan 8.270 nan 0.000 0.475 560 I N 1.473 121.691 120.570 -0.586 0.000 2.545 560 I HA 0.263 4.434 4.170 0.000 0.000 0.292 560 I C -0.191 175.587 176.117 -0.565 0.000 1.040 560 I CA -0.615 60.317 61.300 -0.613 0.000 1.068 560 I CB 2.525 40.033 38.000 -0.820 0.000 1.251 560 I HN 0.350 nan 8.210 nan 0.000 0.424 561 T N 6.724 121.115 114.554 -0.273 0.000 2.807 561 T HA 0.685 5.035 4.350 0.000 0.000 0.279 561 T C -0.267 174.402 174.700 -0.052 0.000 0.993 561 T CA -0.423 61.593 62.100 -0.140 0.000 0.970 561 T CB 1.633 70.447 68.868 -0.091 0.000 0.950 561 T HN 0.515 nan 8.240 nan 0.000 0.441 562 I N -0.882 119.712 120.570 0.040 0.000 2.892 562 I HA 0.865 5.036 4.170 0.000 0.000 0.306 562 I C -0.646 175.541 176.117 0.116 0.000 1.078 562 I CA -0.909 60.446 61.300 0.091 0.000 1.032 562 I CB 2.493 40.587 38.000 0.157 0.000 1.229 562 I HN 0.384 nan 8.210 nan 0.000 0.435 563 S N 1.498 117.255 115.700 0.094 0.000 2.503 563 S HA 0.750 5.221 4.470 0.000 0.000 0.301 563 S C -0.237 174.434 174.600 0.118 0.000 1.087 563 S CA -0.590 57.670 58.200 0.099 0.000 1.042 563 S CB 1.953 65.179 63.200 0.043 0.000 1.043 563 S HN 0.883 nan 8.310 nan 0.000 0.489 564 T N -1.677 112.969 114.554 0.152 0.000 2.926 564 T HA 0.465 4.815 4.350 0.000 0.000 0.289 564 T C 0.119 174.874 174.700 0.091 0.000 1.054 564 T CA -0.808 61.365 62.100 0.121 0.000 1.015 564 T CB 1.275 70.231 68.868 0.147 0.000 1.167 564 T HN 0.519 nan 8.240 nan 0.000 0.526 565 D N -0.273 120.165 120.400 0.063 0.000 2.340 565 D HA 0.126 4.766 4.640 0.000 0.000 0.220 565 D C 0.491 176.821 176.300 0.050 0.000 1.039 565 D CA -0.114 53.913 54.000 0.046 0.000 0.866 565 D CB -0.217 40.601 40.800 0.030 0.000 0.913 565 D HN 0.669 nan 8.370 nan 0.000 0.523 566 S N -2.003 113.738 115.700 0.069 0.000 2.615 566 S HA 0.454 4.924 4.470 0.000 0.000 0.269 566 S C -0.706 173.960 174.600 0.110 0.000 1.161 566 S CA -0.992 57.249 58.200 0.068 0.000 0.817 566 S CB 1.131 64.355 63.200 0.039 0.000 1.131 566 S HN -0.049 nan 8.310 nan 0.000 0.467 567 S N 1.194 116.959 115.700 0.108 0.000 2.537 567 S HA 0.333 4.803 4.470 0.000 0.000 0.286 567 S C -0.102 174.528 174.600 0.050 0.000 1.299 567 S CA -0.320 57.975 58.200 0.158 0.000 1.067 567 S CB -0.359 62.914 63.200 0.120 0.000 0.864 567 S HN 0.497 nan 8.310 nan 0.000 0.494 568 I N 2.798 123.331 120.570 -0.062 0.000 2.392 568 I HA 0.268 4.438 4.170 0.000 0.000 0.295 568 I C 1.070 177.054 176.117 -0.222 0.000 0.985 568 I CA -0.045 61.089 61.300 -0.278 0.000 1.221 568 I CB 1.513 39.113 38.000 -0.666 0.000 1.366 568 I HN 0.583 nan 8.210 nan 0.000 0.467 569 S N 4.706 120.321 115.700 -0.142 0.000 2.460 569 S HA 0.226 4.696 4.470 0.000 0.000 0.226 569 S C 0.532 175.069 174.600 -0.105 0.000 1.057 569 S CA 0.500 58.645 58.200 -0.090 0.000 0.948 569 S CB 0.552 63.718 63.200 -0.057 0.000 0.822 569 S HN 0.548 nan 8.310 nan 0.000 0.512 570 K N -0.246 120.077 120.400 -0.129 0.000 2.509 570 K HA 0.776 5.096 4.320 0.000 0.000 0.266 570 K C -1.541 174.975 176.600 -0.139 0.000 0.987 570 K CA -0.722 55.495 56.287 -0.116 0.000 0.868 570 K CB 2.381 34.827 32.500 -0.090 0.000 1.421 570 K HN 0.141 nan 8.250 nan 0.000 0.444 571 A N 0.602 123.340 122.820 -0.136 0.000 2.574 571 A HA 0.733 5.053 4.320 0.000 0.000 0.297 571 A C -1.332 176.164 177.584 -0.147 0.000 1.062 571 A CA -0.650 51.295 52.037 -0.153 0.000 0.686 571 A CB 1.674 20.538 19.000 -0.227 0.000 1.285 571 A HN 0.677 nan 8.150 nan 0.000 0.403 572 S N 0.479 116.125 115.700 -0.089 0.000 2.588 572 S HA 0.814 5.284 4.470 0.000 0.000 0.275 572 S C -1.166 173.443 174.600 0.015 0.000 1.130 572 S CA -0.725 57.451 58.200 -0.040 0.000 0.855 572 S CB 1.201 64.420 63.200 0.031 0.000 1.116 572 S HN 0.755 nan 8.310 nan 0.000 0.472 573 L N 2.037 123.290 121.223 0.050 0.000 2.307 573 L HA 0.583 4.924 4.340 0.000 0.000 0.284 573 L C -0.983 176.176 176.870 0.481 0.000 1.023 573 L CA -0.909 54.060 54.840 0.215 0.000 0.810 573 L CB 1.351 43.438 42.059 0.047 0.000 1.231 573 L HN 0.592 nan 8.230 nan 0.000 0.423 574 I N 3.644 124.500 120.570 0.477 0.000 2.410 574 I HA 0.350 4.520 4.170 0.000 0.000 0.286 574 I C 0.156 176.319 176.117 0.076 0.000 1.009 574 I CA -0.507 60.981 61.300 0.312 0.000 1.111 574 I CB 1.627 39.775 38.000 0.245 0.000 1.262 574 I HN 0.656 nan 8.210 nan 0.000 0.443 575 R N 4.731 124.998 120.500 -0.389 0.000 2.491 575 R HA 0.180 4.520 4.340 0.000 0.000 0.283 575 R C -0.809 175.297 176.300 -0.322 0.000 1.072 575 R CA -0.179 55.376 56.100 -0.908 0.000 1.048 575 R CB 0.492 29.889 30.300 -1.504 0.000 0.983 575 R HN 0.340 nan 8.270 nan 0.000 0.450 576 Y N 1.298 121.481 120.300 -0.195 0.000 2.683 576 Y HA 0.095 4.643 4.550 -0.004 0.000 0.340 576 Y C 1.286 177.164 175.900 -0.036 0.000 1.245 576 Y CA 1.323 59.400 58.100 -0.040 0.000 1.485 576 Y CB 0.775 39.245 38.460 0.016 0.000 1.328 576 Y HN 0.709 nan 8.280 nan 0.000 0.603 577 G N 0.716 109.608 108.800 0.153 0.000 2.461 577 G HA2 0.621 4.581 3.960 0.000 0.000 0.329 577 G HA3 0.621 4.581 3.960 0.000 0.000 0.329 577 G C -1.017 173.946 174.900 0.104 0.000 1.170 577 G CA -0.632 44.526 45.100 0.096 0.000 0.935 577 G HN 0.635 nan 8.290 nan 0.000 0.492 578 T N -2.856 111.740 114.554 0.070 0.000 2.916 578 T HA 0.787 5.137 4.350 0.000 0.000 0.305 578 T C -0.672 174.030 174.700 0.003 0.000 1.119 578 T CA -0.460 61.675 62.100 0.058 0.000 1.008 578 T CB 2.019 70.948 68.868 0.103 0.000 1.129 578 T HN 1.731 nan 8.240 nan 0.000 0.480 579 A N 1.238 124.022 122.820 -0.059 0.000 2.488 579 A HA 0.886 5.206 4.320 0.000 0.000 0.298 579 A C -0.397 177.068 177.584 -0.198 0.000 1.044 579 A CA -0.762 51.211 52.037 -0.107 0.000 0.693 579 A CB 1.895 20.851 19.000 -0.073 0.000 1.272 579 A HN 1.274 nan 8.150 nan 0.000 0.402 580 T N 0.448 114.884 114.554 -0.197 0.000 3.087 580 T HA 0.500 4.850 4.350 0.000 0.000 0.351 580 T C -0.578 173.983 174.700 -0.231 0.000 1.520 580 T CA -0.051 61.910 62.100 -0.231 0.000 1.111 580 T CB 0.361 69.111 68.868 -0.197 0.000 1.353 580 T HN 1.503 nan 8.240 nan 0.000 0.481 581 H N 2.026 120.781 119.070 -0.525 0.000 2.820 581 H HA -0.220 4.336 4.556 0.000 0.000 0.295 581 H C 1.278 176.206 175.328 -0.667 0.000 1.187 581 H CA 2.662 58.281 56.048 -0.716 0.000 1.144 581 H CB -1.917 27.215 29.762 -1.050 0.000 1.354 581 H HN 1.410 nan 8.280 nan 0.000 0.395 582 T N -6.207 108.119 114.554 -0.381 0.000 6.424 582 T HA -0.252 4.098 4.350 0.000 0.000 0.279 582 T C 0.271 174.789 174.700 -0.303 0.000 2.176 582 T CA 0.729 62.622 62.100 -0.344 0.000 3.628 582 T CB -2.055 66.594 68.868 -0.364 0.000 1.165 582 T HN 0.454 nan 8.240 nan 0.000 1.080 583 V N 2.583 122.335 119.914 -0.269 0.000 2.465 583 V HA 0.722 4.842 4.120 0.000 0.000 0.279 583 V C 0.320 176.328 176.094 -0.143 0.000 1.045 583 V CA -0.229 61.957 62.300 -0.189 0.000 0.938 583 V CB 1.509 33.249 31.823 -0.138 0.000 0.986 583 V HN 0.621 nan 8.190 nan 0.000 0.467 584 N N 2.804 121.427 118.700 -0.127 0.000 2.640 584 N HA 0.142 4.882 4.740 0.000 0.000 0.262 584 N C 0.519 175.981 175.510 -0.079 0.000 1.174 584 N CA 0.097 53.105 53.050 -0.070 0.000 0.791 584 N CB 1.919 40.386 38.487 -0.032 0.000 1.279 584 N HN 0.715 nan 8.380 nan 0.000 0.535 585 T N -1.609 112.900 114.554 -0.076 0.000 3.107 585 T HA 0.149 4.499 4.350 0.000 0.000 0.249 585 T C 0.603 175.304 174.700 0.003 0.000 1.096 585 T CA 0.437 62.469 62.100 -0.113 0.000 1.012 585 T CB 0.334 69.143 68.868 -0.099 0.000 0.977 585 T HN 0.179 nan 8.240 nan 0.000 0.527 586 D N 1.762 122.178 120.400 0.027 0.000 2.262 586 D HA 0.021 4.661 4.640 0.000 0.000 0.212 586 D C 1.264 177.561 176.300 -0.006 0.000 0.964 586 D CA 0.358 54.378 54.000 0.033 0.000 0.875 586 D CB 0.038 40.867 40.800 0.049 0.000 0.996 586 D HN 0.736 nan 8.370 nan 0.000 0.497 587 Q N 1.584 121.397 119.800 0.021 0.000 2.421 587 Q HA 0.280 4.620 4.340 0.000 0.000 0.255 587 Q C -0.077 175.961 176.000 0.064 0.000 1.013 587 Q CA -0.112 55.696 55.803 0.008 0.000 0.895 587 Q CB 0.914 29.687 28.738 0.059 0.000 1.271 587 Q HN 0.066 nan 8.270 nan 0.000 0.460 588 R N -0.112 120.403 120.500 0.025 0.000 2.828 588 R HA 0.469 4.809 4.340 0.000 0.000 0.280 588 R C -1.800 174.610 176.300 0.184 0.000 1.020 588 R CA -1.125 55.059 56.100 0.141 0.000 0.855 588 R CB 1.092 31.517 30.300 0.209 0.000 1.278 588 R HN 0.809 nan 8.270 nan 0.000 0.495 589 R N 1.675 122.328 120.500 0.256 0.000 2.621 589 R HA 0.580 4.920 4.340 0.000 0.000 0.292 589 R C -1.264 175.208 176.300 0.287 0.000 0.969 589 R CA -0.725 55.551 56.100 0.294 0.000 0.887 589 R CB 1.731 32.158 30.300 0.212 0.000 1.180 589 R HN 0.692 nan 8.270 nan 0.000 0.450 590 I N 6.174 126.913 120.570 0.282 0.000 2.382 590 I HA 0.359 4.530 4.170 0.000 0.000 0.285 590 I C -2.072 174.067 176.117 0.038 0.000 1.007 590 I CA -2.508 58.865 61.300 0.120 0.000 1.142 590 I CB 2.223 40.220 38.000 -0.004 0.000 1.289 590 I HN 0.455 nan 8.210 nan 0.000 0.453 591 P HA 0.217 nan 4.420 nan 0.000 0.276 591 P C -0.953 176.307 177.300 -0.067 0.000 1.230 591 P CA -0.143 62.947 63.100 -0.016 0.000 0.776 591 P CB 1.087 32.793 31.700 0.011 0.000 0.888 592 L N 2.642 123.788 121.223 -0.130 0.000 2.309 592 L HA 0.353 4.693 4.340 0.000 0.000 0.282 592 L C 0.817 177.636 176.870 -0.084 0.000 1.036 592 L CA -0.426 54.303 54.840 -0.185 0.000 0.806 592 L CB 1.265 43.043 42.059 -0.469 0.000 1.220 592 L HN 0.252 nan 8.230 nan 0.000 0.429 593 T N 4.521 119.067 114.554 -0.013 0.000 2.727 593 T HA 0.443 4.793 4.350 0.000 0.000 0.298 593 T C 0.014 174.766 174.700 0.087 0.000 0.942 593 T CA -0.307 61.811 62.100 0.030 0.000 0.997 593 T CB 0.117 69.008 68.868 0.038 0.000 0.917 593 T HN 0.249 nan 8.240 nan 0.000 0.487 594 L N 3.338 124.609 121.223 0.081 0.000 2.312 594 L HA 0.403 4.744 4.340 0.000 0.000 0.281 594 L C 0.735 177.703 176.870 0.164 0.000 1.070 594 L CA -0.613 54.319 54.840 0.154 0.000 0.805 594 L CB 1.086 43.212 42.059 0.112 0.000 1.174 594 L HN 0.497 nan 8.230 nan 0.000 0.434 595 T N 1.885 116.550 114.554 0.185 0.000 2.749 595 T HA 0.158 4.508 4.350 0.000 0.000 0.287 595 T C -0.006 174.792 174.700 0.164 0.000 0.970 595 T CA -0.449 61.730 62.100 0.133 0.000 0.980 595 T CB 0.658 69.572 68.868 0.076 0.000 0.924 595 T HN 0.360 nan 8.240 nan 0.000 0.456 596 N N 2.703 121.476 118.700 0.121 0.000 2.401 596 N HA 0.127 4.867 4.740 0.000 0.000 0.255 596 N C 0.563 176.001 175.510 -0.121 0.000 1.110 596 N CA -0.192 52.849 53.050 -0.016 0.000 0.949 596 N CB 0.203 38.722 38.487 0.053 0.000 1.110 596 N HN 0.528 nan 8.380 nan 0.000 0.490 597 N N 2.034 120.598 118.700 -0.226 0.000 2.461 597 N HA 0.142 4.883 4.740 0.000 0.000 0.188 597 N C 0.466 175.877 175.510 -0.164 0.000 1.134 597 N CA 0.188 53.144 53.050 -0.157 0.000 0.878 597 N CB 0.157 38.560 38.487 -0.140 0.000 0.972 597 N HN 0.704 nan 8.380 nan 0.000 0.456 598 G N -0.227 108.437 108.800 -0.227 0.000 2.733 598 G HA2 0.065 4.026 3.960 0.000 0.000 0.686 598 G HA3 0.065 4.026 3.960 0.000 0.000 0.686 598 G C 0.510 175.300 174.900 -0.182 0.000 1.373 598 G CA -0.585 44.413 45.100 -0.170 0.000 0.838 598 G HN 0.503 nan 8.290 nan 0.000 0.588 599 G N 0.064 108.790 108.800 -0.123 0.000 2.225 599 G HA2 -0.060 3.900 3.960 0.000 0.000 0.267 599 G HA3 -0.060 3.900 3.960 0.000 0.000 0.267 599 G C 0.729 175.567 174.900 -0.103 0.000 1.024 599 G CA 1.061 46.107 45.100 -0.089 0.000 0.784 599 G HN 2.515 nan 8.290 nan 0.000 0.507 600 N N -1.649 116.952 118.700 -0.165 0.000 2.740 600 N HA -0.173 4.567 4.740 0.000 0.000 0.248 600 N C 0.157 175.567 175.510 -0.167 0.000 1.062 600 N CA 1.686 54.671 53.050 -0.108 0.000 0.704 600 N CB -1.389 37.148 38.487 0.083 0.000 0.968 600 N HN 1.230 nan 8.380 nan 0.000 0.547 601 S N -0.064 115.385 115.700 -0.417 0.000 2.473 601 S HA 0.728 5.199 4.470 0.000 0.000 0.307 601 S C -0.956 173.351 174.600 -0.489 0.000 1.094 601 S CA -0.504 57.536 58.200 -0.265 0.000 1.070 601 S CB 0.902 64.010 63.200 -0.154 0.000 1.019 601 S HN 0.207 nan 8.310 nan 0.000 0.480 602 Y N 1.418 121.735 120.300 0.027 0.000 2.545 602 Y HA 0.658 5.207 4.550 -0.001 0.000 0.348 602 Y C 0.378 176.300 175.900 0.037 0.000 1.002 602 Y CA -0.813 57.316 58.100 0.048 0.000 1.039 602 Y CB 2.364 40.876 38.460 0.086 0.000 1.271 602 Y HN 0.589 nan 8.280 nan 0.000 0.467 603 S N 1.771 117.590 115.700 0.198 0.000 2.599 603 S HA 0.840 5.310 4.470 0.000 0.000 0.287 603 S C -1.603 173.086 174.600 0.149 0.000 1.105 603 S CA -0.805 57.418 58.200 0.038 0.000 0.899 603 S CB 1.789 64.970 63.200 -0.031 0.000 1.100 603 S HN 0.527 nan 8.310 nan 0.000 0.482 604 F N -0.517 119.446 119.950 0.023 0.000 2.693 604 F HA 0.631 5.157 4.527 -0.002 0.000 0.309 604 F C -1.096 174.692 175.800 -0.021 0.000 1.129 604 F CA -1.002 57.000 58.000 0.003 0.000 0.948 604 F CB 1.344 40.341 39.000 -0.004 0.000 1.315 604 F HN 0.490 nan 8.300 nan 0.000 0.447 605 Q N 2.160 122.090 119.800 0.216 0.000 2.271 605 Q HA 0.627 4.967 4.340 0.000 0.000 0.258 605 Q C -1.218 174.893 176.000 0.185 0.000 0.936 605 Q CA -1.003 54.861 55.803 0.101 0.000 0.909 605 Q CB 2.136 30.898 28.738 0.040 0.000 1.253 605 Q HN 0.771 nan 8.270 nan 0.000 0.440 606 V N 6.347 126.327 119.914 0.111 0.000 2.655 606 V HA 0.119 4.239 4.120 0.000 0.000 0.300 606 V C -2.052 174.017 176.094 -0.041 0.000 1.044 606 V CA -1.167 61.143 62.300 0.016 0.000 1.095 606 V CB 0.617 32.404 31.823 -0.059 0.000 0.952 606 V HN 0.818 nan 8.190 nan 0.000 0.485 607 P HA -0.025 nan 4.420 nan 0.000 0.263 607 P C 0.788 178.042 177.300 -0.077 0.000 1.175 607 P CA 0.472 63.528 63.100 -0.073 0.000 0.761 607 P CB 0.441 32.086 31.700 -0.091 0.000 0.794 608 S N 0.744 116.406 115.700 -0.064 0.000 2.453 608 S HA -0.069 4.401 4.470 0.000 0.000 0.231 608 S C 0.757 175.312 174.600 -0.074 0.000 1.005 608 S CA 0.494 58.657 58.200 -0.062 0.000 0.949 608 S CB -0.346 62.824 63.200 -0.051 0.000 0.774 608 S HN 0.421 nan 8.310 nan 0.000 0.510 609 D N 2.428 122.770 120.400 -0.096 0.000 2.316 609 D HA 0.246 4.886 4.640 0.000 0.000 0.245 609 D C 0.991 177.222 176.300 -0.114 0.000 1.171 609 D CA 0.119 54.044 54.000 -0.125 0.000 0.856 609 D CB 1.600 42.287 40.800 -0.189 0.000 1.090 609 D HN 0.338 nan 8.370 nan 0.000 0.476 610 S N 1.782 117.436 115.700 -0.078 0.000 2.555 610 S HA -0.009 4.462 4.470 0.000 0.000 0.230 610 S C 1.796 176.391 174.600 -0.009 0.000 0.978 610 S CA 0.417 58.603 58.200 -0.023 0.000 0.934 610 S CB 0.174 63.374 63.200 0.001 0.000 0.766 610 S HN 0.465 nan 8.310 nan 0.000 0.533 611 G N 0.996 109.727 108.800 -0.115 0.000 2.511 611 G HA2 0.064 4.024 3.960 0.000 0.000 0.217 611 G HA3 0.064 4.024 3.960 0.000 0.000 0.217 611 G C 1.198 175.982 174.900 -0.194 0.000 1.133 611 G CA 0.729 45.732 45.100 -0.162 0.000 0.792 611 G HN 0.473 nan 8.290 nan 0.000 0.539 612 V N 0.910 120.683 119.914 -0.235 0.000 2.391 612 V HA 0.287 4.407 4.120 0.000 0.000 0.237 612 V C 2.105 178.290 176.094 0.151 0.000 1.046 612 V CA 1.240 63.488 62.300 -0.086 0.000 1.053 612 V CB -0.393 31.337 31.823 -0.154 0.000 0.704 612 V HN 0.313 nan 8.190 nan 0.000 0.475 613 A N 1.198 124.049 122.820 0.051 0.000 3.056 613 A HA 0.386 4.706 4.320 0.000 0.000 0.274 613 A C 0.215 177.964 177.584 0.274 0.000 1.661 613 A CA -0.125 51.942 52.037 0.050 0.000 1.363 613 A CB -1.075 17.792 19.000 -0.221 0.000 1.139 613 A HN 0.478 nan 8.150 nan 0.000 0.598 614 L N 2.145 123.679 121.223 0.517 0.000 2.640 614 L HA 0.026 4.366 4.340 0.000 0.000 0.280 614 L C -1.925 175.229 176.870 0.474 0.000 1.229 614 L CA -1.015 54.072 54.840 0.413 0.000 0.919 614 L CB 0.517 42.795 42.059 0.364 0.000 1.168 614 L HN 0.352 nan 8.230 nan 0.000 0.496 615 P HA 0.188 nan 4.420 nan 0.000 0.268 615 P C 0.185 177.626 177.300 0.235 0.000 1.208 615 P CA 0.243 63.481 63.100 0.230 0.000 0.777 615 P CB 0.867 32.632 31.700 0.108 0.000 0.875 616 G N 0.556 109.469 108.800 0.188 0.000 2.302 616 G HA2 0.034 3.994 3.960 0.000 0.000 0.276 616 G HA3 0.034 3.994 3.960 0.000 0.000 0.276 616 G C -1.842 173.117 174.900 0.099 0.000 1.316 616 G CA -0.830 44.300 45.100 0.050 0.000 0.988 616 G HN 0.255 nan 8.290 nan 0.000 0.479 617 Y N -0.393 120.020 120.300 0.189 0.000 2.308 617 Y HA 0.684 5.235 4.550 0.002 0.000 0.329 617 Y C 0.003 176.150 175.900 0.411 0.000 1.111 617 Y CA 0.071 58.336 58.100 0.275 0.000 1.179 617 Y CB 1.387 39.847 38.460 -0.001 0.000 1.201 617 Y HN 0.586 nan 8.280 nan 0.000 0.483 618 W N 2.756 124.364 121.300 0.514 0.000 2.950 618 W HA 0.656 5.314 4.660 -0.003 0.000 0.340 618 W C -1.078 175.577 176.519 0.227 0.000 1.139 618 W CA -1.060 56.478 57.345 0.323 0.000 1.188 618 W CB 1.326 30.892 29.460 0.177 0.000 1.426 618 W HN 0.227 nan 8.180 nan 0.000 0.531 619 M N 3.204 122.887 119.600 0.138 0.000 2.157 619 M HA 0.337 4.817 4.480 0.000 0.000 0.354 619 M C -0.650 175.582 176.300 -0.113 0.000 1.170 619 M CA -1.024 54.187 55.300 -0.148 0.000 1.060 619 M CB 0.904 33.230 32.600 -0.457 0.000 1.615 619 M HN 0.237 nan 8.290 nan 0.000 0.460 620 L N 4.795 125.906 121.223 -0.187 0.000 2.265 620 L HA 0.572 4.912 4.340 0.000 0.000 0.288 620 L C -1.762 174.898 176.870 -0.349 0.000 1.058 620 L CA 0.347 55.097 54.840 -0.151 0.000 0.809 620 L CB 0.141 42.192 42.059 -0.013 0.000 1.179 620 L HN 0.423 nan 8.230 nan 0.000 0.429 621 F N 4.780 124.694 119.950 -0.059 0.000 2.495 621 F HA 0.654 5.177 4.527 -0.007 0.000 0.327 621 F C 0.018 175.746 175.800 -0.120 0.000 1.103 621 F CA -0.684 57.264 58.000 -0.088 0.000 0.949 621 F CB 2.098 41.028 39.000 -0.117 0.000 1.142 621 F HN 0.409 nan 8.300 nan 0.000 0.457 622 V N 1.144 121.101 119.914 0.071 0.000 2.628 622 V HA 0.799 4.919 4.120 0.000 0.000 0.306 622 V C -0.660 175.405 176.094 -0.048 0.000 1.045 622 V CA -0.884 61.397 62.300 -0.032 0.000 0.905 622 V CB 1.784 33.565 31.823 -0.070 0.000 0.997 622 V HN 0.689 nan 8.190 nan 0.000 0.436 623 M N 4.741 124.281 119.600 -0.099 0.000 2.393 623 M HA 0.530 5.010 4.480 0.000 0.000 0.316 623 M C -0.176 176.064 176.300 -0.100 0.000 1.087 623 M CA -0.363 54.871 55.300 -0.110 0.000 0.937 623 M CB 1.708 34.223 32.600 -0.142 0.000 1.668 623 M HN 1.021 nan 8.290 nan 0.000 0.438 624 N N 0.216 118.871 118.700 -0.075 0.000 2.418 624 N HA 0.305 5.045 4.740 0.000 0.000 0.283 624 N C 0.695 176.177 175.510 -0.047 0.000 1.267 624 N CA -0.101 52.916 53.050 -0.055 0.000 0.975 624 N CB -0.093 38.376 38.487 -0.031 0.000 1.167 624 N HN 0.650 nan 8.380 nan 0.000 0.581 625 S N -1.774 113.909 115.700 -0.028 0.000 2.387 625 S HA -0.202 4.269 4.470 0.000 0.000 0.230 625 S C 1.752 176.339 174.600 -0.022 0.000 1.035 625 S CA 1.014 59.202 58.200 -0.021 0.000 1.014 625 S CB -1.163 62.033 63.200 -0.006 0.000 0.836 625 S HN 0.800 nan 8.310 nan 0.000 0.466 626 A N 0.942 123.751 122.820 -0.019 0.000 2.168 626 A HA 0.478 4.798 4.320 0.000 0.000 0.215 626 A C 1.898 179.470 177.584 -0.021 0.000 1.152 626 A CA 0.886 52.914 52.037 -0.015 0.000 0.716 626 A CB -1.255 17.741 19.000 -0.007 0.000 0.794 626 A HN 1.647 nan 8.150 nan 0.000 0.465 627 G N -1.866 106.911 108.800 -0.040 0.000 2.141 627 G HA2 -0.187 3.773 3.960 0.000 0.000 0.242 627 G HA3 -0.187 3.773 3.960 0.000 0.000 0.242 627 G C 0.106 174.958 174.900 -0.080 0.000 0.982 627 G CA 0.078 45.142 45.100 -0.059 0.000 0.662 627 G HN 0.827 nan 8.290 nan 0.000 0.527 628 V N 2.945 122.821 119.914 -0.063 0.000 2.488 628 V HA 0.453 4.574 4.120 0.000 0.000 0.277 628 V C -1.111 174.912 176.094 -0.119 0.000 1.046 628 V CA -1.198 61.061 62.300 -0.068 0.000 0.986 628 V CB 1.369 33.174 31.823 -0.031 0.000 0.989 628 V HN 0.277 nan 8.190 nan 0.000 0.475 629 P HA 0.223 nan 4.420 nan 0.000 0.282 629 P C -0.089 177.204 177.300 -0.012 0.000 1.249 629 P CA -0.254 62.751 63.100 -0.159 0.000 0.806 629 P CB 1.329 32.795 31.700 -0.391 0.000 0.984 630 S N 1.918 117.653 115.700 0.059 0.000 2.598 630 S HA 0.206 4.676 4.470 0.000 0.000 0.256 630 S C 0.918 175.617 174.600 0.166 0.000 1.350 630 S CA -0.650 57.596 58.200 0.076 0.000 0.984 630 S CB -0.347 62.881 63.200 0.047 0.000 0.930 630 S HN 0.490 nan 8.310 nan 0.000 0.577 631 V N -1.423 118.547 119.914 0.094 0.000 3.133 631 V HA 0.714 4.835 4.120 0.000 0.000 0.305 631 V C 0.605 176.650 176.094 -0.081 0.000 1.084 631 V CA -0.715 61.644 62.300 0.098 0.000 1.089 631 V CB -0.416 31.433 31.823 0.044 0.000 1.073 631 V HN 1.252 nan 8.190 nan 0.000 0.477 632 A N 2.892 125.538 122.820 -0.290 0.000 2.425 632 A HA 0.561 4.881 4.320 0.000 0.000 0.249 632 A C 0.551 177.964 177.584 -0.284 0.000 1.084 632 A CA -0.090 51.528 52.037 -0.698 0.000 0.781 632 A CB -0.147 18.328 19.000 -0.875 0.000 1.019 632 A HN 1.068 nan 8.150 nan 0.000 0.490 633 S N 1.025 116.586 115.700 -0.233 0.000 2.480 633 S HA 0.423 4.893 4.470 0.000 0.000 0.286 633 S C 0.176 174.773 174.600 -0.005 0.000 1.180 633 S CA -0.328 57.830 58.200 -0.070 0.000 1.075 633 S CB 1.073 64.261 63.200 -0.020 0.000 0.996 633 S HN 0.727 nan 8.310 nan 0.000 0.487 634 T N 4.663 119.262 114.554 0.074 0.000 2.761 634 T HA 0.353 4.703 4.350 0.000 0.000 0.296 634 T C -0.205 174.624 174.700 0.214 0.000 0.934 634 T CA -0.196 62.022 62.100 0.196 0.000 1.091 634 T CB -0.065 68.901 68.868 0.163 0.000 0.896 634 T HN 0.297 nan 8.240 nan 0.000 0.515 635 I N 3.357 124.106 120.570 0.299 0.000 2.436 635 I HA 0.392 4.562 4.170 0.000 0.000 0.289 635 I C 0.323 176.634 176.117 0.323 0.000 1.010 635 I CA -0.952 60.501 61.300 0.256 0.000 1.098 635 I CB 1.722 39.849 38.000 0.210 0.000 1.266 635 I HN 0.533 nan 8.210 nan 0.000 0.434 636 R N 5.348 125.972 120.500 0.206 0.000 2.265 636 R HA 0.569 4.909 4.340 0.000 0.000 0.314 636 R C -1.342 174.989 176.300 0.051 0.000 1.053 636 R CA -0.314 55.831 56.100 0.074 0.000 0.931 636 R CB 0.995 31.250 30.300 -0.075 0.000 1.024 636 R HN 0.428 nan 8.270 nan 0.000 0.457 637 V N 5.013 124.984 119.914 0.094 0.000 2.394 637 V HA 0.341 4.461 4.120 0.000 0.000 0.282 637 V C 0.294 176.402 176.094 0.024 0.000 1.031 637 V CA -0.446 61.870 62.300 0.028 0.000 0.881 637 V CB 1.433 33.224 31.823 -0.054 0.000 0.982 637 V HN 1.028 nan 8.190 nan 0.000 0.451 638 T N 1.943 116.491 114.554 -0.011 0.000 2.926 638 T HA 0.655 5.005 4.350 0.000 0.000 0.289 638 T C -0.357 174.336 174.700 -0.011 0.000 1.054 638 T CA -0.862 61.230 62.100 -0.013 0.000 1.015 638 T CB 1.758 70.608 68.868 -0.029 0.000 1.167 638 T HN 0.523 nan 8.240 nan 0.000 0.526 639 Q N 0.000 119.795 119.800 -0.009 0.000 2.315 639 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 639 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 639 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481