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 2jkx_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 0.000 177.628 177.584 0.073 0.000 1.274 1 A CA 0.000 52.059 52.037 0.037 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 2 S N -2.035 113.667 115.700 0.003 0.000 2.973 2 S HA 0.960 5.428 4.470 -0.002 0.000 0.317 2 S C -1.128 173.150 174.600 -0.537 0.000 1.196 2 S CA 0.494 58.561 58.200 -0.222 0.000 0.894 2 S CB 1.422 64.580 63.200 -0.070 0.000 1.292 2 S HN 2.596 nan 8.310 nan 0.000 0.614 3 A N 1.525 123.786 122.820 -0.933 0.000 2.604 3 A HA 0.793 5.112 4.320 -0.002 0.000 0.295 3 A C -3.150 173.876 177.584 -0.930 0.000 1.067 3 A CA -1.262 50.275 52.037 -0.833 0.000 0.683 3 A CB 1.321 20.086 19.000 -0.391 0.000 1.281 3 A HN 0.511 nan 8.150 nan 0.000 0.407 4 P HA 0.365 nan 4.420 nan 0.000 0.276 4 P C 0.653 177.717 177.300 -0.393 0.000 1.244 4 P CA -0.343 62.378 63.100 -0.633 0.000 0.801 4 P CB 0.601 31.537 31.700 -1.272 0.000 1.006 5 I N -1.998 118.396 120.570 -0.294 0.000 3.226 5 I HA 0.290 4.458 4.170 -0.002 0.000 0.277 5 I C 0.886 176.926 176.117 -0.128 0.000 1.243 5 I CA 0.175 61.372 61.300 -0.172 0.000 1.459 5 I CB -0.272 37.644 38.000 -0.140 0.000 1.093 5 I HN 0.213 nan 8.210 nan 0.000 0.453 6 G N 0.543 109.275 108.800 -0.113 0.000 2.938 6 G HA2 0.610 4.569 3.960 -0.002 0.000 0.258 6 G HA3 0.610 4.569 3.960 -0.002 0.000 0.258 6 G C -1.083 173.937 174.900 0.201 0.000 1.356 6 G CA -0.576 44.555 45.100 0.051 0.000 1.052 6 G HN 0.182 nan 8.290 nan 0.000 0.550 7 S N -0.581 115.282 115.700 0.271 0.000 2.475 7 S HA 0.631 5.099 4.470 -0.002 0.000 0.298 7 S C 0.396 175.155 174.600 0.265 0.000 1.119 7 S CA -0.311 58.058 58.200 0.281 0.000 1.085 7 S CB 1.540 64.814 63.200 0.124 0.000 1.028 7 S HN 1.003 nan 8.310 nan 0.000 0.489 8 A N 3.097 125.999 122.820 0.138 0.000 2.520 8 A HA 0.342 4.661 4.320 -0.002 0.000 0.245 8 A C 0.078 177.543 177.584 -0.199 0.000 1.072 8 A CA -0.098 51.727 52.037 -0.353 0.000 0.761 8 A CB -0.447 18.371 19.000 -0.304 0.000 1.004 8 A HN 0.811 nan 8.150 nan 0.000 0.499 9 I N 2.152 122.595 120.570 -0.212 0.000 2.474 9 I HA 0.068 4.236 4.170 -0.002 0.000 0.287 9 I C 1.172 177.163 176.117 -0.209 0.000 1.048 9 I CA 0.105 61.369 61.300 -0.060 0.000 1.383 9 I CB 1.354 39.459 38.000 0.175 0.000 1.412 9 I HN 0.689 nan 8.210 nan 0.000 0.531 10 S N 5.660 121.256 115.700 -0.173 0.000 2.525 10 S HA 0.108 4.576 4.470 -0.002 0.000 0.285 10 S C 0.973 175.254 174.600 -0.533 0.000 1.283 10 S CA -0.082 57.951 58.200 -0.278 0.000 1.072 10 S CB 0.148 63.258 63.200 -0.150 0.000 0.867 10 S HN 0.562 nan 8.310 nan 0.000 0.492 11 R N 3.470 123.479 120.500 -0.818 0.000 2.432 11 R HA 0.155 4.494 4.340 -0.002 0.000 0.260 11 R C 1.127 177.056 176.300 -0.619 0.000 0.935 11 R CA -0.299 54.944 56.100 -1.428 0.000 1.080 11 R CB -0.079 29.346 30.300 -1.459 0.000 1.155 11 R HN 0.545 nan 8.270 nan 0.000 0.531 12 N N 1.858 120.359 118.700 -0.331 0.000 2.060 12 N HA -0.184 4.555 4.740 -0.002 0.000 0.195 12 N C 0.702 176.183 175.510 -0.049 0.000 1.028 12 N CA 1.422 54.385 53.050 -0.145 0.000 0.861 12 N CB -0.130 38.301 38.487 -0.094 0.000 1.029 12 N HN 0.244 nan 8.380 nan 0.000 0.428 13 N N -0.844 117.865 118.700 0.015 0.000 2.238 13 N HA 0.014 4.753 4.740 -0.002 0.000 0.222 13 N C -0.637 175.009 175.510 0.227 0.000 1.133 13 N CA -0.225 52.884 53.050 0.098 0.000 0.854 13 N CB 0.034 38.567 38.487 0.077 0.000 1.041 13 N HN 0.190 nan 8.380 nan 0.000 0.510 14 W N 1.973 123.264 121.300 -0.015 0.000 2.210 14 W HA 0.365 5.025 4.660 -0.001 0.000 0.330 14 W C 0.586 177.103 176.519 -0.004 0.000 1.334 14 W CA -1.233 56.106 57.345 -0.010 0.000 1.227 14 W CB 0.174 29.639 29.460 0.008 0.000 1.178 14 W HN -0.070 nan 8.180 nan 0.000 0.560 15 A N 3.622 126.536 122.820 0.155 0.000 2.317 15 A HA 0.775 5.094 4.320 -0.002 0.000 0.327 15 A C -0.848 176.758 177.584 0.037 0.000 1.178 15 A CA -0.671 51.415 52.037 0.082 0.000 0.817 15 A CB 0.917 19.943 19.000 0.042 0.000 1.189 15 A HN 0.691 nan 8.150 nan 0.000 0.489 16 V N -0.075 119.841 119.914 0.003 0.000 2.769 16 V HA 0.944 5.063 4.120 -0.002 0.000 0.312 16 V C -0.380 175.564 176.094 -0.251 0.000 1.061 16 V CA -0.406 61.815 62.300 -0.132 0.000 0.931 16 V CB 1.534 33.288 31.823 -0.115 0.000 1.010 16 V HN 0.805 nan 8.190 nan 0.000 0.433 17 T N 2.638 116.962 114.554 -0.383 0.000 2.886 17 T HA 0.627 4.975 4.350 -0.002 0.000 0.292 17 T C -0.686 173.678 174.700 -0.560 0.000 1.012 17 T CA -0.315 61.572 62.100 -0.356 0.000 0.982 17 T CB 1.404 70.164 68.868 -0.181 0.000 1.018 17 T HN 1.003 nan 8.240 nan 0.000 0.451 18 c N 2.179 120.476 118.600 -0.504 0.000 2.667 18 c HA 0.452 5.021 4.570 -0.002 0.000 0.323 18 c C 1.863 175.833 174.090 -0.200 0.000 1.214 18 c CA -0.736 55.278 56.329 -0.525 0.000 1.721 18 c CB 1.675 43.705 42.510 -0.800 0.000 2.275 18 c HN 1.088 nan 8.230 nan 0.000 0.491 19 D N 1.078 121.451 120.400 -0.045 0.000 2.144 19 D HA -0.084 4.554 4.640 -0.002 0.000 0.200 19 D C 0.560 176.826 176.300 -0.056 0.000 0.978 19 D CA 1.502 55.509 54.000 0.013 0.000 0.833 19 D CB 0.114 40.985 40.800 0.119 0.000 0.961 19 D HN 0.635 nan 8.370 nan 0.000 0.470 20 S N -1.328 114.333 115.700 -0.066 0.000 2.565 20 S HA 0.670 5.139 4.470 -0.002 0.000 0.269 20 S C -1.553 172.998 174.600 -0.082 0.000 1.153 20 S CA -0.478 57.459 58.200 -0.438 0.000 0.835 20 S CB 2.123 64.647 63.200 -1.126 0.000 1.122 20 S HN 0.562 nan 8.310 nan 0.000 0.462 21 A N 1.357 124.107 122.820 -0.117 0.000 2.429 21 A HA 0.708 5.027 4.320 -0.002 0.000 0.289 21 A C -0.717 177.123 177.584 0.427 0.000 1.043 21 A CA -0.564 51.673 52.037 0.333 0.000 0.722 21 A CB 1.585 20.800 19.000 0.357 0.000 1.243 21 A HN 0.874 nan 8.150 nan 0.000 0.415 22 Q N 1.183 121.269 119.800 0.477 0.000 2.361 22 Q HA 0.326 4.665 4.340 -0.002 0.000 0.276 22 Q C 0.573 176.722 176.000 0.248 0.000 1.022 22 Q CA 0.705 56.747 55.803 0.398 0.000 0.898 22 Q CB 0.646 29.593 28.738 0.348 0.000 1.246 22 Q HN 0.781 nan 8.270 nan 0.000 0.410 23 S N 2.245 118.038 115.700 0.154 0.000 2.537 23 S HA 0.364 4.833 4.470 -0.002 0.000 0.286 23 S C 0.952 175.583 174.600 0.053 0.000 1.299 23 S CA 0.973 59.226 58.200 0.089 0.000 1.067 23 S CB -0.251 62.972 63.200 0.037 0.000 0.864 23 S HN 1.008 nan 8.310 nan 0.000 0.494 24 G N 4.439 113.264 108.800 0.041 0.000 2.253 24 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.251 24 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.251 24 G C 0.202 175.086 174.900 -0.027 0.000 0.998 24 G CA 0.139 45.237 45.100 -0.003 0.000 0.621 24 G HN 0.671 nan 8.290 nan 0.000 0.524 25 N N 1.455 120.182 118.700 0.045 0.000 2.599 25 N HA 0.334 5.073 4.740 -0.002 0.000 0.309 25 N C -0.270 175.404 175.510 0.274 0.000 1.743 25 N CA -0.104 52.992 53.050 0.077 0.000 0.918 25 N CB 0.858 39.405 38.487 0.100 0.000 1.339 25 N HN 0.490 nan 8.380 nan 0.000 0.493 26 E N -0.199 120.124 120.200 0.205 0.000 2.418 26 E HA -0.007 4.342 4.350 -0.002 0.000 0.261 26 E C 1.147 177.896 176.600 0.248 0.000 1.070 26 E CA -0.128 56.399 56.400 0.212 0.000 0.931 26 E CB 0.923 30.693 29.700 0.115 0.000 0.954 26 E HN 0.159 nan 8.360 nan 0.000 0.439 27 c N 2.667 121.317 118.600 0.082 0.000 2.385 27 c HA -0.219 4.350 4.570 -0.002 0.000 0.275 27 c C 1.939 176.057 174.090 0.046 0.000 1.199 27 c CA 1.780 57.987 56.329 -0.203 0.000 1.782 27 c CB -1.159 41.078 42.510 -0.454 0.000 2.068 27 c HN 0.888 nan 8.230 nan 0.000 0.471 28 N N 0.025 118.770 118.700 0.074 0.000 2.515 28 N HA -0.061 4.678 4.740 -0.002 0.000 0.185 28 N C 1.234 176.841 175.510 0.162 0.000 1.109 28 N CA 0.816 53.945 53.050 0.131 0.000 0.903 28 N CB -0.679 37.858 38.487 0.084 0.000 0.969 28 N HN 0.461 nan 8.380 nan 0.000 0.450 29 K N 0.421 120.931 120.400 0.185 0.000 2.362 29 K HA 0.117 4.435 4.320 -0.002 0.000 0.200 29 K C 1.393 178.119 176.600 0.210 0.000 1.046 29 K CA 0.845 57.234 56.287 0.169 0.000 0.952 29 K CB -0.220 32.370 32.500 0.151 0.000 0.753 29 K HN 0.396 nan 8.250 nan 0.000 0.466 30 A N 1.229 124.223 122.820 0.291 0.000 2.238 30 A HA 0.030 4.348 4.320 -0.002 0.000 0.208 30 A C 1.587 179.255 177.584 0.139 0.000 1.177 30 A CA 0.328 52.501 52.037 0.226 0.000 0.804 30 A CB -0.486 18.631 19.000 0.195 0.000 0.823 30 A HN 0.401 nan 8.150 nan 0.000 0.482 31 I N -3.928 116.736 120.570 0.157 0.000 3.817 31 I HA 0.281 4.450 4.170 -0.002 0.000 0.325 31 I C 0.242 176.370 176.117 0.019 0.000 1.550 31 I CA -0.020 61.333 61.300 0.089 0.000 1.100 31 I CB 0.633 38.744 38.000 0.184 0.000 1.216 31 I HN 0.033 nan 8.210 nan 0.000 0.481 32 D N 0.940 121.361 120.400 0.035 0.000 2.339 32 D HA 0.166 4.804 4.640 -0.002 0.000 0.217 32 D C 1.625 177.918 176.300 -0.011 0.000 1.050 32 D CA 0.496 54.502 54.000 0.010 0.000 0.856 32 D CB 0.246 41.064 40.800 0.030 0.000 0.922 32 D HN 0.464 nan 8.370 nan 0.000 0.518 33 G N 0.474 109.262 108.800 -0.020 0.000 2.162 33 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.260 33 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.260 33 G C 0.000 174.897 174.900 -0.005 0.000 0.976 33 G CA 0.156 45.238 45.100 -0.029 0.000 0.655 33 G HN 0.602 nan 8.290 nan 0.000 0.533 34 N N 0.055 118.764 118.700 0.015 0.000 2.476 34 N HA 0.391 5.130 4.740 -0.002 0.000 0.257 34 N C 1.334 176.874 175.510 0.051 0.000 0.970 34 N CA 0.218 53.284 53.050 0.027 0.000 0.938 34 N CB 1.369 39.872 38.487 0.026 0.000 1.144 34 N HN 0.295 nan 8.380 nan 0.000 0.500 35 K N 1.605 122.032 120.400 0.046 0.000 2.442 35 K HA 0.019 4.337 4.320 -0.002 0.000 0.198 35 K C 0.125 176.786 176.600 0.102 0.000 1.042 35 K CA 1.132 57.456 56.287 0.062 0.000 0.958 35 K CB -0.201 32.320 32.500 0.035 0.000 0.766 35 K HN 0.499 nan 8.250 nan 0.000 0.474 36 D N 1.106 121.564 120.400 0.096 0.000 2.350 36 D HA 0.046 4.685 4.640 -0.002 0.000 0.213 36 D C 0.424 176.810 176.300 0.143 0.000 1.031 36 D CA 1.040 55.114 54.000 0.123 0.000 0.861 36 D CB 0.628 41.473 40.800 0.075 0.000 0.926 36 D HN 0.725 nan 8.370 nan 0.000 0.520 37 T N -0.709 113.913 114.554 0.114 0.000 2.824 37 T HA 0.618 4.966 4.350 -0.002 0.000 0.280 37 T C -0.277 174.527 174.700 0.172 0.000 0.995 37 T CA -0.944 61.179 62.100 0.039 0.000 1.009 37 T CB 1.215 70.087 68.868 0.007 0.000 0.955 37 T HN 0.007 nan 8.240 nan 0.000 0.452 38 F N -0.249 119.770 119.950 0.115 0.000 2.601 38 F HA 0.743 5.268 4.527 -0.003 0.000 0.309 38 F C -0.901 175.048 175.800 0.248 0.000 1.089 38 F CA -2.161 55.933 58.000 0.157 0.000 0.940 38 F CB 0.857 39.918 39.000 0.101 0.000 1.273 38 F HN 0.823 nan 8.300 nan 0.000 0.450 39 W N 4.528 126.024 121.300 0.328 0.000 2.190 39 W HA 0.491 5.149 4.660 -0.004 0.000 0.330 39 W C -1.311 175.473 176.519 0.441 0.000 1.299 39 W CA 0.006 57.535 57.345 0.307 0.000 1.215 39 W CB 0.336 29.991 29.460 0.326 0.000 1.147 39 W HN 0.784 nan 8.180 nan 0.000 0.563 40 H N 3.748 122.673 119.070 -0.242 0.000 2.947 40 H HA 0.224 4.779 4.556 -0.002 0.000 0.354 40 H C -0.229 174.895 175.328 -0.340 0.000 1.085 40 H CA -0.063 55.761 56.048 -0.373 0.000 1.253 40 H CB 1.614 31.405 29.762 0.048 0.000 1.757 40 H HN 0.531 nan 8.280 nan 0.000 0.523 41 T N 1.373 115.738 114.554 -0.314 0.000 2.766 41 T HA 0.243 4.592 4.350 -0.002 0.000 0.295 41 T C 1.008 175.980 174.700 0.453 0.000 1.024 41 T CA -0.589 61.495 62.100 -0.026 0.000 1.018 41 T CB 0.355 68.951 68.868 -0.454 0.000 1.002 41 T HN 0.361 nan 8.240 nan 0.000 0.532 42 F N 2.440 122.561 119.950 0.285 0.000 2.623 42 F HA 0.248 4.774 4.527 -0.002 0.000 0.386 42 F C 0.387 176.468 175.800 0.468 0.000 1.068 42 F CA -0.361 57.815 58.000 0.293 0.000 1.265 42 F CB 0.037 39.161 39.000 0.207 0.000 1.026 42 F HN 0.726 nan 8.300 nan 0.000 0.568 43 Y N 0.593 121.091 120.300 0.330 0.000 2.581 43 Y HA 0.612 5.160 4.550 -0.003 0.000 0.337 43 Y C 0.162 176.114 175.900 0.087 0.000 1.108 43 Y CA -0.618 57.634 58.100 0.254 0.000 1.033 43 Y CB 1.095 39.523 38.460 -0.053 0.000 1.318 43 Y HN 0.803 nan 8.280 nan 0.000 0.459 44 G N 1.541 110.405 108.800 0.106 0.000 2.846 44 G HA2 -0.386 3.572 3.960 -0.002 0.000 0.317 44 G HA3 -0.386 3.572 3.960 -0.002 0.000 0.317 44 G C 1.269 176.112 174.900 -0.096 0.000 1.210 44 G CA 1.708 46.776 45.100 -0.054 0.000 0.972 44 G HN 1.854 nan 8.290 nan 0.000 0.567 45 A N -0.017 122.678 122.820 -0.209 0.000 1.902 45 A HA -0.016 4.303 4.320 -0.002 0.000 0.217 45 A C 1.972 179.443 177.584 -0.188 0.000 1.181 45 A CA 2.358 54.287 52.037 -0.180 0.000 0.623 45 A CB -0.474 18.400 19.000 -0.210 0.000 0.818 45 A HN 0.639 nan 8.150 nan 0.000 0.443 46 N N -0.055 118.486 118.700 -0.265 0.000 2.461 46 N HA 0.218 4.957 4.740 -0.002 0.000 0.188 46 N C 0.857 176.276 175.510 -0.151 0.000 1.134 46 N CA 0.995 53.804 53.050 -0.402 0.000 0.878 46 N CB 0.090 37.989 38.487 -0.980 0.000 0.972 46 N HN 0.690 nan 8.380 nan 0.000 0.456 47 G N 0.986 109.782 108.800 -0.006 0.000 2.756 47 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.678 47 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.678 47 G C -1.290 173.761 174.900 0.252 0.000 1.349 47 G CA -0.728 44.438 45.100 0.111 0.000 0.847 47 G HN 0.225 nan 8.290 nan 0.000 0.548 48 D N 1.967 122.522 120.400 0.257 0.000 2.551 48 D HA 0.334 4.973 4.640 -0.002 0.000 0.294 48 D C -2.127 174.287 176.300 0.191 0.000 1.201 48 D CA -0.786 53.402 54.000 0.314 0.000 0.941 48 D CB 1.251 42.206 40.800 0.258 0.000 0.995 48 D HN 0.347 nan 8.370 nan 0.000 0.502 49 P HA 0.057 nan 4.420 nan 0.000 0.267 49 P C 0.142 177.588 177.300 0.244 0.000 1.205 49 P CA -0.057 63.192 63.100 0.248 0.000 0.765 49 P CB 1.524 33.424 31.700 0.334 0.000 0.828 50 K N 4.212 124.653 120.400 0.068 0.000 2.138 50 K HA 0.322 4.640 4.320 -0.002 0.000 0.251 50 K C -2.069 174.350 176.600 -0.303 0.000 1.015 50 K CA -1.585 54.674 56.287 -0.047 0.000 0.917 50 K CB -0.341 32.106 32.500 -0.090 0.000 1.021 50 K HN 0.356 nan 8.250 nan 0.000 0.485 51 P HA 0.145 nan 4.420 nan 0.000 0.274 51 P C -2.531 174.575 177.300 -0.323 0.000 1.256 51 P CA -1.238 61.475 63.100 -0.644 0.000 0.795 51 P CB -0.251 31.309 31.700 -0.234 0.000 1.038 52 P HA 0.112 nan 4.420 nan 0.000 0.268 52 P C -0.633 176.469 177.300 -0.330 0.000 1.204 52 P CA 0.691 63.668 63.100 -0.205 0.000 0.768 52 P CB 0.205 31.855 31.700 -0.083 0.000 0.842 53 H N 0.458 119.593 119.070 0.108 0.000 2.621 53 H HA 0.510 5.065 4.556 -0.001 0.000 0.360 53 H C -0.259 175.214 175.328 0.242 0.000 1.163 53 H CA -0.274 55.885 56.048 0.185 0.000 1.194 53 H CB 1.796 31.693 29.762 0.225 0.000 1.649 53 H HN 0.236 nan 8.280 nan 0.000 0.532 54 T N 2.201 116.975 114.554 0.366 0.000 2.881 54 T HA 0.205 4.554 4.350 -0.002 0.000 0.290 54 T C -1.151 173.587 174.700 0.063 0.000 1.000 54 T CA -0.588 61.613 62.100 0.169 0.000 0.978 54 T CB 1.113 69.980 68.868 -0.002 0.000 0.997 54 T HN 0.383 nan 8.240 nan 0.000 0.443 55 Y N 2.452 122.714 120.300 -0.064 0.000 2.345 55 Y HA 0.495 5.043 4.550 -0.003 0.000 0.331 55 Y C -0.170 175.640 175.900 -0.152 0.000 0.959 55 Y CA -0.441 57.519 58.100 -0.233 0.000 1.204 55 Y CB 1.100 39.452 38.460 -0.181 0.000 1.135 55 Y HN 0.564 nan 8.280 nan 0.000 0.477 56 T N 7.365 121.763 114.554 -0.260 0.000 2.807 56 T HA 0.578 4.926 4.350 -0.002 0.000 0.279 56 T C -0.573 174.094 174.700 -0.055 0.000 0.993 56 T CA -0.462 61.581 62.100 -0.096 0.000 0.970 56 T CB 0.755 69.559 68.868 -0.106 0.000 0.950 56 T HN 0.441 nan 8.240 nan 0.000 0.441 57 I N 2.720 123.324 120.570 0.055 0.000 2.406 57 I HA 0.336 4.505 4.170 -0.002 0.000 0.290 57 I C -0.480 175.577 176.117 -0.099 0.000 0.999 57 I CA -0.770 60.478 61.300 -0.087 0.000 1.124 57 I CB 1.702 39.521 38.000 -0.303 0.000 1.289 57 I HN 0.474 nan 8.210 nan 0.000 0.441 58 D N 6.899 127.194 120.400 -0.174 0.000 2.392 58 D HA 0.332 4.970 4.640 -0.002 0.000 0.228 58 D C 0.335 176.346 176.300 -0.482 0.000 1.074 58 D CA -0.322 53.468 54.000 -0.350 0.000 0.838 58 D CB 1.283 41.998 40.800 -0.141 0.000 1.067 58 D HN 0.444 nan 8.370 nan 0.000 0.511 59 M N 2.856 122.089 119.600 -0.612 0.000 2.563 59 M HA 0.013 4.492 4.480 -0.002 0.000 0.231 59 M C 0.866 177.064 176.300 -0.171 0.000 1.136 59 M CA -0.127 54.870 55.300 -0.505 0.000 1.026 59 M CB 0.119 32.467 32.600 -0.420 0.000 1.597 59 M HN 0.282 nan 8.290 nan 0.000 0.495 60 K N -1.239 119.014 120.400 -0.245 0.000 3.658 60 K HA -0.160 4.159 4.320 -0.002 0.000 0.372 60 K C 0.522 177.051 176.600 -0.119 0.000 0.598 60 K CA 2.217 58.422 56.287 -0.136 0.000 1.635 60 K CB -2.047 30.442 32.500 -0.018 0.000 1.178 60 K HN 0.587 nan 8.250 nan 0.000 0.470 61 T N -1.750 112.747 114.554 -0.094 0.000 2.916 61 T HA 0.539 4.888 4.350 -0.002 0.000 0.292 61 T C -0.057 174.597 174.700 -0.077 0.000 1.064 61 T CA -0.580 61.481 62.100 -0.066 0.000 1.011 61 T CB 2.386 71.245 68.868 -0.016 0.000 1.152 61 T HN 0.002 nan 8.240 nan 0.000 0.510 62 T N 3.206 117.728 114.554 -0.054 0.000 2.817 62 T HA 0.259 4.608 4.350 -0.002 0.000 0.295 62 T C -0.161 174.529 174.700 -0.016 0.000 0.958 62 T CA -0.292 61.781 62.100 -0.044 0.000 1.157 62 T CB 0.112 68.958 68.868 -0.037 0.000 0.898 62 T HN 0.451 nan 8.240 nan 0.000 0.536 63 Q N 2.482 122.277 119.800 -0.007 0.000 2.348 63 Q HA 0.338 4.677 4.340 -0.002 0.000 0.271 63 Q C -0.375 175.640 176.000 0.026 0.000 1.067 63 Q CA -0.947 54.873 55.803 0.027 0.000 0.839 63 Q CB 1.272 30.047 28.738 0.061 0.000 1.354 63 Q HN 0.430 nan 8.270 nan 0.000 0.447 64 N N 1.157 119.884 118.700 0.045 0.000 2.968 64 N HA 0.125 4.863 4.740 -0.002 0.000 0.271 64 N C -0.650 174.919 175.510 0.097 0.000 1.174 64 N CA 0.038 53.120 53.050 0.054 0.000 1.096 64 N CB 0.256 38.797 38.487 0.091 0.000 1.403 64 N HN 0.222 nan 8.380 nan 0.000 0.522 65 V N 2.524 122.513 119.914 0.125 0.000 2.555 65 V HA 0.086 4.205 4.120 -0.002 0.000 0.286 65 V C 1.126 177.345 176.094 0.209 0.000 1.044 65 V CA -0.303 62.115 62.300 0.197 0.000 1.026 65 V CB 0.815 32.809 31.823 0.284 0.000 0.981 65 V HN 0.608 nan 8.190 nan 0.000 0.480 66 N N 2.633 121.336 118.700 0.005 0.000 2.240 66 N HA 0.365 5.103 4.740 -0.002 0.000 0.240 66 N C -0.148 174.852 175.510 -0.850 0.000 1.277 66 N CA 0.424 53.289 53.050 -0.309 0.000 0.873 66 N CB 1.488 39.907 38.487 -0.113 0.000 1.222 66 N HN 0.792 nan 8.380 nan 0.000 0.507 67 G N 0.098 108.446 108.800 -0.754 0.000 2.338 67 G HA2 0.467 4.426 3.960 -0.002 0.000 0.295 67 G HA3 0.467 4.426 3.960 -0.002 0.000 0.295 67 G C -2.206 172.812 174.900 0.197 0.000 1.461 67 G CA -0.661 44.062 45.100 -0.629 0.000 0.817 67 G HN 0.386 nan 8.290 nan 0.000 0.556 68 L N -1.213 120.239 121.223 0.381 0.000 2.327 68 L HA 1.008 5.347 4.340 -0.002 0.000 0.258 68 L C 0.097 177.219 176.870 0.420 0.000 1.024 68 L CA -1.202 53.941 54.840 0.505 0.000 0.825 68 L CB 1.713 44.025 42.059 0.421 0.000 1.386 68 L HN 1.136 nan 8.230 nan 0.000 0.417 69 S N 1.379 117.316 115.700 0.395 0.000 2.568 69 S HA 0.885 5.353 4.470 -0.002 0.000 0.293 69 S C -0.596 173.925 174.600 -0.132 0.000 1.089 69 S CA -0.678 57.506 58.200 -0.026 0.000 0.945 69 S CB 1.822 64.974 63.200 -0.081 0.000 1.077 69 S HN 0.999 nan 8.310 nan 0.000 0.485 70 M N 3.176 122.526 119.600 -0.417 0.000 2.124 70 M HA 0.454 4.932 4.480 -0.002 0.000 0.280 70 M C -2.245 173.802 176.300 -0.422 0.000 0.954 70 M CA -0.982 54.103 55.300 -0.358 0.000 0.958 70 M CB 1.245 33.595 32.600 -0.417 0.000 1.611 70 M HN 0.885 nan 8.290 nan 0.000 0.449 71 L N 9.060 130.135 121.223 -0.248 0.000 2.257 71 L HA 0.630 4.968 4.340 -0.002 0.000 0.290 71 L C -2.438 174.351 176.870 -0.135 0.000 1.044 71 L CA -1.086 53.629 54.840 -0.209 0.000 0.810 71 L CB 1.036 43.021 42.059 -0.123 0.000 1.193 71 L HN 0.435 nan 8.230 nan 0.000 0.425 72 P HA 0.142 nan 4.420 nan 0.000 0.272 72 P C -1.135 176.147 177.300 -0.030 0.000 1.240 72 P CA -0.470 62.589 63.100 -0.070 0.000 0.791 72 P CB 0.278 31.899 31.700 -0.133 0.000 0.978 73 R N 1.465 121.920 120.500 -0.075 0.000 2.638 73 R HA -0.022 4.317 4.340 -0.002 0.000 0.268 73 R C 0.068 176.340 176.300 -0.045 0.000 1.006 73 R CA 0.213 56.187 56.100 -0.211 0.000 1.088 73 R CB -0.306 29.525 30.300 -0.781 0.000 0.950 73 R HN 0.384 nan 8.270 nan 0.000 0.419 74 Q N 1.531 121.332 119.800 0.001 0.000 2.172 74 Q HA 0.007 4.345 4.340 -0.002 0.000 0.217 74 Q C -0.262 175.763 176.000 0.042 0.000 0.832 74 Q CA 0.208 56.032 55.803 0.035 0.000 1.010 74 Q CB 0.805 29.568 28.738 0.041 0.000 1.133 74 Q HN 0.798 nan 8.270 nan 0.000 0.489 75 D N -1.176 119.237 120.400 0.022 0.000 2.325 75 D HA 0.108 4.747 4.640 -0.002 0.000 0.225 75 D C 1.130 177.434 176.300 0.007 0.000 1.096 75 D CA 0.429 54.450 54.000 0.035 0.000 0.844 75 D CB 0.117 40.966 40.800 0.081 0.000 0.925 75 D HN 0.220 nan 8.370 nan 0.000 0.513 76 G N 0.430 109.238 108.800 0.013 0.000 2.159 76 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.256 76 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.256 76 G C -0.021 174.852 174.900 -0.045 0.000 0.977 76 G CA 0.070 45.179 45.100 0.015 0.000 0.652 76 G HN 0.586 nan 8.290 nan 0.000 0.531 77 N N 0.557 119.189 118.700 -0.114 0.000 2.400 77 N HA 0.331 5.070 4.740 -0.002 0.000 0.288 77 N C 1.513 176.765 175.510 -0.431 0.000 1.024 77 N CA 0.136 53.042 53.050 -0.239 0.000 0.894 77 N CB 1.058 39.402 38.487 -0.238 0.000 1.173 77 N HN 0.536 nan 8.380 nan 0.000 0.487 78 Q N 1.771 121.161 119.800 -0.684 0.000 2.432 78 Q HA 0.099 4.438 4.340 -0.002 0.000 0.205 78 Q C -0.542 174.749 176.000 -1.182 0.000 0.945 78 Q CA 0.200 55.080 55.803 -1.539 0.000 0.924 78 Q CB -0.015 27.759 28.738 -1.607 0.000 1.016 78 Q HN 0.329 nan 8.270 nan 0.000 0.503 79 N N 1.639 119.976 118.700 -0.606 0.000 2.434 79 N HA 0.157 4.895 4.740 -0.002 0.000 0.268 79 N C 0.553 175.883 175.510 -0.300 0.000 1.256 79 N CA 1.420 54.284 53.050 -0.310 0.000 0.914 79 N CB 0.886 39.185 38.487 -0.313 0.000 1.088 79 N HN 0.553 nan 8.380 nan 0.000 0.478 80 G N 1.211 109.932 108.800 -0.132 0.000 2.176 80 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.232 80 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.232 80 G C -0.448 174.472 174.900 0.032 0.000 0.986 80 G CA -0.658 44.365 45.100 -0.127 0.000 0.643 80 G HN 0.453 nan 8.290 nan 0.000 0.522 81 W N 1.037 122.291 121.300 -0.076 0.000 2.385 81 W HA 0.450 5.108 4.660 -0.003 0.000 0.336 81 W C 1.021 177.564 176.519 0.040 0.000 1.351 81 W CA -0.807 56.516 57.345 -0.037 0.000 1.295 81 W CB -0.273 29.165 29.460 -0.037 0.000 1.239 81 W HN 0.157 nan 8.180 nan 0.000 0.565 82 I N 4.141 124.904 120.570 0.322 0.000 2.416 82 I HA 0.186 4.354 4.170 -0.002 0.000 0.288 82 I C 1.297 177.627 176.117 0.355 0.000 1.051 82 I CA 0.347 61.843 61.300 0.327 0.000 1.375 82 I CB 0.657 38.904 38.000 0.412 0.000 1.407 82 I HN 0.552 nan 8.210 nan 0.000 0.516 83 G N 6.244 115.197 108.800 0.254 0.000 2.593 83 G HA2 0.212 4.171 3.960 -0.002 0.000 0.212 83 G HA3 0.212 4.171 3.960 -0.002 0.000 0.212 83 G C 0.355 175.370 174.900 0.191 0.000 1.934 83 G CA -0.440 44.789 45.100 0.215 0.000 0.861 83 G HN 0.464 nan 8.290 nan 0.000 0.629 84 R N 1.360 121.915 120.500 0.092 0.000 2.590 84 R HA 0.375 4.713 4.340 -0.002 0.000 0.274 84 R C -0.171 176.126 176.300 -0.005 0.000 1.061 84 R CA 0.209 56.301 56.100 -0.014 0.000 1.081 84 R CB 0.352 30.642 30.300 -0.016 0.000 0.984 84 R HN 0.795 nan 8.270 nan 0.000 0.448 85 H N -0.313 118.640 119.070 -0.194 0.000 3.003 85 H HA 0.421 4.977 4.556 0.000 0.000 0.327 85 H C -1.340 173.866 175.328 -0.203 0.000 1.353 85 H CA -1.054 54.859 56.048 -0.224 0.000 1.142 85 H CB 1.611 31.092 29.762 -0.469 0.000 1.864 85 H HN 0.567 nan 8.280 nan 0.000 0.529 86 E N 0.915 121.090 120.200 -0.042 0.000 2.331 86 E HA 0.473 4.821 4.350 -0.002 0.000 0.275 86 E C -1.253 175.319 176.600 -0.046 0.000 0.895 86 E CA -1.100 55.220 56.400 -0.133 0.000 0.753 86 E CB 3.602 33.207 29.700 -0.158 0.000 1.216 86 E HN 0.326 nan 8.360 nan 0.000 0.434 87 V N 2.921 122.742 119.914 -0.155 0.000 2.417 87 V HA 0.404 4.523 4.120 -0.002 0.000 0.291 87 V C -1.185 174.755 176.094 -0.257 0.000 1.024 87 V CA -0.670 61.589 62.300 -0.068 0.000 0.861 87 V CB 0.465 32.306 31.823 0.031 0.000 0.985 87 V HN 0.565 nan 8.190 nan 0.000 0.436 88 Y N 4.247 124.543 120.300 -0.006 0.000 2.468 88 Y HA 0.729 5.275 4.550 -0.006 0.000 0.342 88 Y C 0.005 176.054 175.900 0.247 0.000 1.021 88 Y CA -0.825 57.329 58.100 0.090 0.000 1.079 88 Y CB 1.810 40.332 38.460 0.104 0.000 1.226 88 Y HN 0.390 nan 8.280 nan 0.000 0.460 89 L N 1.488 122.962 121.223 0.419 0.000 2.333 89 L HA 0.792 5.131 4.340 -0.002 0.000 0.269 89 L C -0.409 176.613 176.870 0.253 0.000 1.010 89 L CA -0.817 54.227 54.840 0.340 0.000 0.818 89 L CB 2.214 44.355 42.059 0.137 0.000 1.306 89 L HN 0.622 nan 8.230 nan 0.000 0.430 90 S N -1.004 114.721 115.700 0.041 0.000 2.537 90 S HA 0.289 4.758 4.470 -0.002 0.000 0.271 90 S C 0.188 174.729 174.600 -0.098 0.000 1.148 90 S CA -0.051 57.978 58.200 -0.285 0.000 0.868 90 S CB 1.818 64.319 63.200 -1.165 0.000 1.115 90 S HN 0.716 nan 8.310 nan 0.000 0.461 91 S N 1.530 117.157 115.700 -0.122 0.000 2.517 91 S HA 0.108 4.577 4.470 -0.002 0.000 0.214 91 S C 0.629 175.242 174.600 0.021 0.000 0.991 91 S CA 0.971 59.162 58.200 -0.015 0.000 0.906 91 S CB -0.244 62.927 63.200 -0.047 0.000 0.789 91 S HN 0.796 nan 8.310 nan 0.000 0.513 92 D N -1.022 119.246 120.400 -0.220 0.000 2.480 92 D HA 0.294 4.933 4.640 -0.002 0.000 0.243 92 D C 1.429 177.220 176.300 -0.848 0.000 1.120 92 D CA 0.593 54.400 54.000 -0.322 0.000 0.835 92 D CB -0.432 40.214 40.800 -0.255 0.000 1.204 92 D HN 0.486 nan 8.370 nan 0.000 0.513 93 G N -0.039 107.916 108.800 -1.408 0.000 2.179 93 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.260 93 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.260 93 G C 1.141 175.548 174.900 -0.821 0.000 0.977 93 G CA 1.407 45.555 45.100 -1.587 0.000 0.641 93 G HN 0.778 nan 8.290 nan 0.000 0.533 94 T N -3.543 110.566 114.554 -0.741 0.000 3.075 94 T HA 0.261 4.609 4.350 -0.002 0.000 0.251 94 T C 0.562 175.030 174.700 -0.386 0.000 0.979 94 T CA 0.585 62.468 62.100 -0.361 0.000 1.033 94 T CB 0.336 69.076 68.868 -0.213 0.000 1.104 94 T HN 0.141 nan 8.240 nan 0.000 0.473 95 N N 0.891 119.288 118.700 -0.505 0.000 2.439 95 N HA 0.301 5.040 4.740 -0.002 0.000 0.249 95 N C -0.985 174.261 175.510 -0.441 0.000 1.003 95 N CA -0.404 52.452 53.050 -0.323 0.000 0.942 95 N CB 0.918 39.284 38.487 -0.201 0.000 1.115 95 N HN 0.514 nan 8.380 nan 0.000 0.505 96 W N 1.691 122.951 121.300 -0.067 0.000 3.013 96 W HA 0.265 4.921 4.660 -0.007 0.000 0.280 96 W C 1.585 178.171 176.519 0.111 0.000 1.249 96 W CA 0.349 57.683 57.345 -0.018 0.000 1.577 96 W CB 0.181 29.536 29.460 -0.175 0.000 1.057 96 W HN 0.686 nan 8.180 nan 0.000 0.613 97 G N 1.072 110.019 108.800 0.244 0.000 2.575 97 G HA2 -0.285 3.673 3.960 -0.002 0.000 0.267 97 G HA3 -0.285 3.673 3.960 -0.002 0.000 0.267 97 G C 0.183 175.271 174.900 0.313 0.000 1.264 97 G CA 0.111 45.338 45.100 0.211 0.000 0.935 97 G HN 0.390 nan 8.290 nan 0.000 0.568 98 S N 0.743 116.568 115.700 0.207 0.000 2.654 98 S HA 0.735 5.204 4.470 -0.002 0.000 0.283 98 S C -2.589 171.990 174.600 -0.035 0.000 1.180 98 S CA -0.912 57.379 58.200 0.151 0.000 1.021 98 S CB 2.007 65.254 63.200 0.079 0.000 1.018 98 S HN 0.694 nan 8.310 nan 0.000 0.532 99 P HA 0.095 nan 4.420 nan 0.000 0.266 99 P C 1.103 178.216 177.300 -0.310 0.000 1.195 99 P CA -0.512 62.214 63.100 -0.624 0.000 0.768 99 P CB 0.411 31.717 31.700 -0.657 0.000 0.838 100 V N 0.031 119.731 119.914 -0.357 0.000 2.951 100 V HA 0.378 4.496 4.120 -0.002 0.000 0.255 100 V C 0.651 176.576 176.094 -0.282 0.000 1.088 100 V CA 1.106 63.189 62.300 -0.362 0.000 1.109 100 V CB -1.059 30.337 31.823 -0.713 0.000 0.724 100 V HN 0.574 nan 8.190 nan 0.000 0.471 101 A N 0.137 122.806 122.820 -0.253 0.000 2.574 101 A HA 0.856 5.175 4.320 -0.002 0.000 0.297 101 A C -0.410 177.086 177.584 -0.146 0.000 1.062 101 A CA 0.228 52.217 52.037 -0.080 0.000 0.686 101 A CB 1.739 20.820 19.000 0.136 0.000 1.285 101 A HN 1.199 nan 8.150 nan 0.000 0.403 102 S N 0.101 115.703 115.700 -0.163 0.000 2.565 102 S HA 0.965 5.433 4.470 -0.002 0.000 0.269 102 S C -0.111 174.276 174.600 -0.355 0.000 1.153 102 S CA 0.238 58.257 58.200 -0.301 0.000 0.835 102 S CB 1.128 64.216 63.200 -0.187 0.000 1.122 102 S HN 2.795 nan 8.310 nan 0.000 0.462 103 G N 0.743 109.186 108.800 -0.593 0.000 2.403 103 G HA2 0.444 4.402 3.960 -0.002 0.000 0.223 103 G HA3 0.444 4.402 3.960 -0.002 0.000 0.223 103 G C -1.397 173.180 174.900 -0.538 0.000 1.287 103 G CA -0.169 44.705 45.100 -0.376 0.000 0.982 103 G HN 1.397 nan 8.290 nan 0.000 0.471 104 S N -0.367 115.220 115.700 -0.188 0.000 2.538 104 S HA 0.685 5.153 4.470 -0.002 0.000 0.288 104 S C -1.357 173.380 174.600 0.227 0.000 1.108 104 S CA -0.503 57.705 58.200 0.012 0.000 0.971 104 S CB 1.442 64.696 63.200 0.091 0.000 1.041 104 S HN 0.508 nan 8.310 nan 0.000 0.483 105 W N 2.125 123.597 121.300 0.286 0.000 2.449 105 W HA 0.479 5.141 4.660 0.002 0.000 0.331 105 W C 0.008 176.582 176.519 0.091 0.000 1.119 105 W CA -1.925 55.508 57.345 0.146 0.000 1.240 105 W CB 0.447 29.914 29.460 0.013 0.000 1.251 105 W HN 0.618 nan 8.180 nan 0.000 0.576 106 F N 2.007 122.034 119.950 0.129 0.000 2.553 106 F HA 0.316 4.841 4.527 -0.003 0.000 0.356 106 F C 0.775 176.529 175.800 -0.076 0.000 1.142 106 F CA -0.085 57.916 58.000 0.001 0.000 1.322 106 F CB 0.729 39.660 39.000 -0.115 0.000 1.126 106 F HN 0.351 nan 8.300 nan 0.000 0.599 107 A N 5.057 127.438 122.820 -0.733 0.000 2.915 107 A HA 0.407 4.726 4.320 -0.002 0.000 0.292 107 A C -0.949 176.256 177.584 -0.632 0.000 1.632 107 A CA 0.116 51.887 52.037 -0.443 0.000 1.337 107 A CB -1.196 17.684 19.000 -0.201 0.000 1.111 107 A HN 0.749 nan 8.150 nan 0.000 0.569 108 D N -0.923 118.897 120.400 -0.967 0.000 2.779 108 D HA 0.203 4.842 4.640 -0.002 0.000 0.331 108 D C 0.269 175.663 176.300 -1.509 0.000 1.331 108 D CA 0.193 53.468 54.000 -1.207 0.000 0.866 108 D CB 0.025 40.680 40.800 -0.241 0.000 1.409 108 D HN 0.181 nan 8.370 nan 0.000 0.486 109 S N -1.613 113.589 115.700 -0.829 0.000 2.634 109 S HA 0.209 4.677 4.470 -0.002 0.000 0.221 109 S C 0.676 175.071 174.600 -0.340 0.000 0.952 109 S CA 0.208 58.113 58.200 -0.492 0.000 0.930 109 S CB -1.238 61.931 63.200 -0.052 0.000 0.780 109 S HN 0.777 nan 8.310 nan 0.000 0.498 110 T N 0.413 114.748 114.554 -0.365 0.000 2.899 110 T HA 0.327 4.676 4.350 -0.002 0.000 0.295 110 T C 0.174 174.656 174.700 -0.363 0.000 1.033 110 T CA -0.432 61.495 62.100 -0.288 0.000 1.084 110 T CB 0.414 69.127 68.868 -0.258 0.000 0.979 110 T HN 0.181 nan 8.240 nan 0.000 0.532 111 T N 4.051 118.416 114.554 -0.316 0.000 2.908 111 T HA 0.168 4.517 4.350 -0.002 0.000 0.301 111 T C 0.300 174.591 174.700 -0.682 0.000 1.019 111 T CA -0.259 61.553 62.100 -0.480 0.000 1.152 111 T CB 0.037 68.656 68.868 -0.415 0.000 0.966 111 T HN 0.454 nan 8.240 nan 0.000 0.540 112 K N 2.319 122.134 120.400 -0.975 0.000 2.156 112 K HA 0.555 4.874 4.320 -0.002 0.000 0.250 112 K C -0.928 174.963 176.600 -1.181 0.000 0.955 112 K CA -0.636 54.917 56.287 -1.224 0.000 0.855 112 K CB 1.347 32.534 32.500 -2.188 0.000 1.101 112 K HN 0.563 nan 8.250 nan 0.000 0.434 113 Y N -0.979 119.077 120.300 -0.407 0.000 2.512 113 Y HA 0.351 4.899 4.550 -0.003 0.000 0.348 113 Y C -0.095 176.025 175.900 0.366 0.000 0.990 113 Y CA -0.789 57.295 58.100 -0.026 0.000 1.033 113 Y CB 2.442 40.873 38.460 -0.047 0.000 1.259 113 Y HN 0.317 nan 8.280 nan 0.000 0.461 114 S N 2.721 118.744 115.700 0.538 0.000 2.669 114 S HA 0.393 4.862 4.470 -0.002 0.000 0.315 114 S C -1.023 173.777 174.600 0.333 0.000 1.106 114 S CA -0.894 57.642 58.200 0.561 0.000 1.107 114 S CB 0.130 63.732 63.200 0.671 0.000 0.990 114 S HN 0.473 nan 8.310 nan 0.000 0.471 115 N N 3.235 122.070 118.700 0.226 0.000 2.400 115 N HA 0.724 5.463 4.740 -0.002 0.000 0.288 115 N C -0.835 174.720 175.510 0.075 0.000 1.024 115 N CA -0.298 52.731 53.050 -0.034 0.000 0.894 115 N CB 1.210 39.693 38.487 -0.007 0.000 1.173 115 N HN 0.572 nan 8.380 nan 0.000 0.487 116 F N -1.608 118.393 119.950 0.085 0.000 2.713 116 F HA 0.471 4.998 4.527 0.001 0.000 0.311 116 F C -0.123 175.714 175.800 0.062 0.000 1.141 116 F CA -1.252 56.792 58.000 0.073 0.000 0.939 116 F CB 0.668 39.724 39.000 0.093 0.000 1.325 116 F HN -0.025 nan 8.300 nan 0.000 0.453 117 E N 1.285 121.690 120.200 0.342 0.000 2.452 117 E HA 0.109 4.458 4.350 -0.002 0.000 0.261 117 E C -0.224 176.564 176.600 0.313 0.000 0.987 117 E CA 0.145 56.686 56.400 0.235 0.000 0.926 117 E CB 0.533 30.373 29.700 0.233 0.000 0.934 117 E HN 0.666 nan 8.360 nan 0.000 0.452 118 T N 3.626 118.311 114.554 0.219 0.000 2.905 118 T HA 0.064 4.412 4.350 -0.002 0.000 0.299 118 T C 0.647 175.520 174.700 0.288 0.000 1.024 118 T CA 0.532 62.784 62.100 0.255 0.000 1.151 118 T CB 0.275 69.300 68.868 0.262 0.000 0.987 118 T HN 0.284 nan 8.240 nan 0.000 0.535 119 R N 3.697 124.303 120.500 0.177 0.000 2.510 119 R HA 0.345 4.684 4.340 -0.002 0.000 0.287 119 R C -3.060 173.175 176.300 -0.107 0.000 1.084 119 R CA -2.061 54.025 56.100 -0.023 0.000 0.934 119 R CB 1.516 31.854 30.300 0.062 0.000 1.201 119 R HN 0.310 nan 8.270 nan 0.000 0.431 120 P HA 0.128 nan 4.420 nan 0.000 0.264 120 P C -1.430 175.813 177.300 -0.095 0.000 1.193 120 P CA 0.186 63.160 63.100 -0.210 0.000 0.763 120 P CB 1.239 32.752 31.700 -0.311 0.000 0.810 121 A N 3.229 126.029 122.820 -0.033 0.000 2.604 121 A HA 0.522 4.841 4.320 -0.002 0.000 0.295 121 A C 0.521 178.089 177.584 -0.027 0.000 1.067 121 A CA -0.622 51.413 52.037 -0.002 0.000 0.683 121 A CB 1.427 20.462 19.000 0.058 0.000 1.281 121 A HN 0.486 nan 8.150 nan 0.000 0.407 122 R N -0.312 120.156 120.500 -0.052 0.000 2.195 122 R HA 0.236 4.574 4.340 -0.002 0.000 0.197 122 R C -0.801 175.270 176.300 -0.382 0.000 0.990 122 R CA 0.731 56.692 56.100 -0.231 0.000 1.048 122 R CB 0.125 30.235 30.300 -0.316 0.000 0.997 122 R HN 0.690 nan 8.270 nan 0.000 0.502 123 Y N -0.203 120.053 120.300 -0.075 0.000 2.446 123 Y HA 0.511 5.060 4.550 -0.002 0.000 0.338 123 Y C -0.487 175.522 175.900 0.183 0.000 1.055 123 Y CA -0.994 57.113 58.100 0.012 0.000 1.101 123 Y CB 2.252 40.702 38.460 -0.018 0.000 1.221 123 Y HN -0.331 nan 8.280 nan 0.000 0.460 124 V N 3.260 123.393 119.914 0.364 0.000 2.686 124 V HA 0.565 4.684 4.120 -0.002 0.000 0.306 124 V C -0.809 175.441 176.094 0.260 0.000 1.065 124 V CA -1.129 61.364 62.300 0.323 0.000 0.894 124 V CB 2.058 33.969 31.823 0.147 0.000 1.004 124 V HN 0.757 nan 8.190 nan 0.000 0.424 125 R N 3.678 124.279 120.500 0.167 0.000 2.513 125 R HA 0.710 5.048 4.340 -0.002 0.000 0.301 125 R C -1.964 174.392 176.300 0.094 0.000 0.968 125 R CA -0.755 55.314 56.100 -0.052 0.000 0.872 125 R CB 1.792 31.702 30.300 -0.649 0.000 1.177 125 R HN 0.598 nan 8.270 nan 0.000 0.444 126 L N 5.652 126.963 121.223 0.147 0.000 2.280 126 L HA 0.402 4.740 4.340 -0.002 0.000 0.287 126 L C -1.387 175.602 176.870 0.198 0.000 1.023 126 L CA -0.435 54.529 54.840 0.205 0.000 0.819 126 L CB 1.785 43.999 42.059 0.259 0.000 1.212 126 L HN 0.395 nan 8.230 nan 0.000 0.420 127 V N 5.317 125.341 119.914 0.183 0.000 2.350 127 V HA 0.627 4.745 4.120 -0.002 0.000 0.276 127 V C 0.581 176.783 176.094 0.180 0.000 1.028 127 V CA -0.504 61.893 62.300 0.161 0.000 0.860 127 V CB 1.042 32.952 31.823 0.144 0.000 0.990 127 V HN 0.919 nan 8.190 nan 0.000 0.453 128 A N 5.493 128.444 122.820 0.217 0.000 2.391 128 A HA 0.567 4.885 4.320 -0.002 0.000 0.316 128 A C 0.919 178.575 177.584 0.121 0.000 1.381 128 A CA -0.279 51.883 52.037 0.207 0.000 0.998 128 A CB -0.126 19.043 19.000 0.281 0.000 1.147 128 A HN 0.858 nan 8.150 nan 0.000 0.545 129 I N 1.557 122.174 120.570 0.079 0.000 2.333 129 I HA -0.048 4.121 4.170 -0.002 0.000 0.246 129 I C 1.407 177.530 176.117 0.009 0.000 1.106 129 I CA 1.569 62.883 61.300 0.023 0.000 1.411 129 I CB -0.022 37.983 38.000 0.007 0.000 1.082 129 I HN 0.717 nan 8.210 nan 0.000 0.420 130 T N -2.675 111.904 114.554 0.043 0.000 2.883 130 T HA 0.352 4.700 4.350 -0.002 0.000 0.296 130 T C -0.576 174.175 174.700 0.085 0.000 1.117 130 T CA -0.862 61.261 62.100 0.038 0.000 1.006 130 T CB 2.742 71.628 68.868 0.030 0.000 1.191 130 T HN -0.052 nan 8.240 nan 0.000 0.508 131 E N 0.203 120.443 120.200 0.068 0.000 2.301 131 E HA 0.463 4.811 4.350 -0.002 0.000 0.275 131 E C 1.223 177.885 176.600 0.103 0.000 1.030 131 E CA -0.307 56.151 56.400 0.096 0.000 0.852 131 E CB 1.611 31.341 29.700 0.051 0.000 1.060 131 E HN 0.839 nan 8.360 nan 0.000 0.401 132 A N 4.347 127.268 122.820 0.168 0.000 2.024 132 A HA -0.194 4.125 4.320 -0.002 0.000 0.220 132 A C 1.265 178.913 177.584 0.106 0.000 1.164 132 A CA 1.696 53.832 52.037 0.164 0.000 0.643 132 A CB -0.261 18.899 19.000 0.266 0.000 0.806 132 A HN 0.704 nan 8.150 nan 0.000 0.451 133 N N -1.811 116.938 118.700 0.081 0.000 2.234 133 N HA 0.376 5.115 4.740 -0.002 0.000 0.227 133 N C 0.716 176.227 175.510 0.003 0.000 1.151 133 N CA 0.558 53.627 53.050 0.032 0.000 0.865 133 N CB 0.712 39.200 38.487 0.003 0.000 1.066 133 N HN 0.490 nan 8.380 nan 0.000 0.515 134 G N -0.189 108.611 108.800 0.000 0.000 2.148 134 G HA2 -0.319 3.639 3.960 -0.002 0.000 0.254 134 G HA3 -0.319 3.639 3.960 -0.002 0.000 0.254 134 G C 0.110 174.958 174.900 -0.086 0.000 0.981 134 G CA 0.197 45.279 45.100 -0.031 0.000 0.670 134 G HN 0.291 nan 8.290 nan 0.000 0.528 135 Q N -0.737 118.997 119.800 -0.110 0.000 2.318 135 Q HA 0.502 4.841 4.340 -0.002 0.000 0.222 135 Q C -0.939 174.814 176.000 -0.411 0.000 1.003 135 Q CA -0.452 55.181 55.803 -0.284 0.000 0.936 135 Q CB 0.831 29.460 28.738 -0.182 0.000 1.204 135 Q HN 0.272 nan 8.270 nan 0.000 0.524 136 P HA 0.000 nan 4.420 nan 0.000 0.229 136 P C -0.234 176.853 177.300 -0.355 0.000 1.160 136 P CA 0.672 63.384 63.100 -0.647 0.000 0.777 136 P CB 0.308 31.497 31.700 -0.852 0.000 0.814 137 W N -0.272 121.053 121.300 0.041 0.000 2.436 137 W HA 0.423 5.082 4.660 -0.001 0.000 0.347 137 W C -0.036 176.350 176.519 -0.222 0.000 1.136 137 W CA -0.152 57.112 57.345 -0.135 0.000 1.286 137 W CB 0.126 29.456 29.460 -0.216 0.000 1.253 137 W HN -0.340 nan 8.180 nan 0.000 0.617 138 T N 1.643 116.035 114.554 -0.270 0.000 2.841 138 T HA 0.448 4.797 4.350 -0.002 0.000 0.283 138 T C -0.316 173.887 174.700 -0.829 0.000 1.000 138 T CA -0.532 61.344 62.100 -0.372 0.000 0.977 138 T CB 1.605 70.357 68.868 -0.194 0.000 0.979 138 T HN 0.349 nan 8.240 nan 0.000 0.446 139 S N 2.289 117.649 115.700 -0.567 0.000 2.549 139 S HA 0.855 5.324 4.470 -0.002 0.000 0.280 139 S C -1.087 173.436 174.600 -0.129 0.000 1.109 139 S CA -0.904 57.000 58.200 -0.494 0.000 0.905 139 S CB 1.213 64.119 63.200 -0.489 0.000 1.081 139 S HN 0.636 nan 8.310 nan 0.000 0.477 140 I N 1.649 122.288 120.570 0.114 0.000 2.586 140 I HA 0.434 4.602 4.170 -0.002 0.000 0.288 140 I C 0.823 177.104 176.117 0.272 0.000 1.147 140 I CA -1.045 60.378 61.300 0.206 0.000 1.047 140 I CB 1.973 40.153 38.000 0.300 0.000 1.244 140 I HN 0.873 nan 8.210 nan 0.000 0.429 141 A N 4.859 127.783 122.820 0.173 0.000 1.872 141 A HA 0.136 4.455 4.320 -0.002 0.000 0.214 141 A C 0.687 178.355 177.584 0.140 0.000 1.187 141 A CA 1.352 53.516 52.037 0.213 0.000 0.614 141 A CB 0.144 19.229 19.000 0.141 0.000 0.826 141 A HN 0.660 nan 8.150 nan 0.000 0.442 142 E N -1.230 119.004 120.200 0.057 0.000 2.290 142 E HA 0.514 4.863 4.350 -0.002 0.000 0.274 142 E C -1.723 174.859 176.600 -0.030 0.000 0.889 142 E CA -0.294 56.117 56.400 0.019 0.000 0.760 142 E CB 1.914 31.613 29.700 -0.001 0.000 1.206 142 E HN 0.364 nan 8.360 nan 0.000 0.419 143 I N 2.601 123.144 120.570 -0.044 0.000 2.433 143 I HA 0.371 4.540 4.170 -0.002 0.000 0.292 143 I C -0.876 175.270 176.117 0.049 0.000 1.001 143 I CA -0.451 60.819 61.300 -0.051 0.000 1.119 143 I CB 0.782 38.642 38.000 -0.234 0.000 1.289 143 I HN 0.260 nan 8.210 nan 0.000 0.438 144 N N 5.598 124.338 118.700 0.065 0.000 2.265 144 N HA 0.578 5.316 4.740 -0.002 0.000 0.300 144 N C -1.552 173.982 175.510 0.040 0.000 1.148 144 N CA -0.439 52.601 53.050 -0.017 0.000 0.772 144 N CB 2.805 41.146 38.487 -0.242 0.000 1.434 144 N HN 0.228 nan 8.380 nan 0.000 0.481 145 V N 1.931 121.840 119.914 -0.007 0.000 2.656 145 V HA 0.565 4.684 4.120 -0.002 0.000 0.307 145 V C -0.981 174.986 176.094 -0.213 0.000 1.051 145 V CA -0.636 61.721 62.300 0.094 0.000 0.893 145 V CB 1.343 33.318 31.823 0.253 0.000 0.999 145 V HN 0.469 nan 8.190 nan 0.000 0.426 146 F N 2.472 122.501 119.950 0.131 0.000 2.522 146 F HA 0.693 5.218 4.527 -0.003 0.000 0.324 146 F C 0.276 176.101 175.800 0.042 0.000 1.077 146 F CA -0.590 57.450 58.000 0.066 0.000 0.944 146 F CB 1.936 40.945 39.000 0.016 0.000 1.175 146 F HN 0.546 nan 8.300 nan 0.000 0.468 147 Q N 1.663 121.583 119.800 0.201 0.000 2.377 147 Q HA 0.876 5.215 4.340 -0.002 0.000 0.271 147 Q C -1.322 174.735 176.000 0.095 0.000 1.077 147 Q CA -1.372 54.506 55.803 0.125 0.000 0.820 147 Q CB 2.322 31.120 28.738 0.099 0.000 1.347 147 Q HN 0.741 nan 8.270 nan 0.000 0.444 148 A N 1.320 124.181 122.820 0.069 0.000 2.313 148 A HA 0.327 4.646 4.320 -0.002 0.000 0.261 148 A C 0.940 178.551 177.584 0.045 0.000 1.090 148 A CA -0.029 52.031 52.037 0.039 0.000 0.807 148 A CB 0.555 19.576 19.000 0.034 0.000 1.055 148 A HN 0.995 nan 8.150 nan 0.000 0.492 149 S N -0.357 115.357 115.700 0.024 0.000 2.522 149 S HA 0.183 4.651 4.470 -0.002 0.000 0.227 149 S C 0.608 175.228 174.600 0.033 0.000 0.986 149 S CA 0.719 58.934 58.200 0.025 0.000 0.929 149 S CB -0.716 62.490 63.200 0.009 0.000 0.769 149 S HN 1.900 nan 8.310 nan 0.000 0.529 150 S N -0.851 114.874 115.700 0.042 0.000 2.611 150 S HA 0.620 5.089 4.470 -0.002 0.000 0.268 150 S C -1.556 173.117 174.600 0.123 0.000 1.156 150 S CA -0.987 57.251 58.200 0.064 0.000 0.817 150 S CB 0.975 64.189 63.200 0.023 0.000 1.122 150 S HN 0.404 nan 8.310 nan 0.000 0.466 151 Y N 0.855 121.157 120.300 0.003 0.000 2.425 151 Y HA 0.687 5.235 4.550 -0.004 0.000 0.344 151 Y C -1.077 174.826 175.900 0.005 0.000 0.969 151 Y CA -0.218 57.887 58.100 0.008 0.000 1.052 151 Y CB 2.268 40.741 38.460 0.022 0.000 1.215 151 Y HN 0.949 nan 8.280 nan 0.000 0.451 152 T N 4.634 118.697 114.554 -0.818 0.000 2.841 152 T HA 0.728 5.077 4.350 -0.002 0.000 0.285 152 T C -0.333 173.749 174.700 -1.030 0.000 0.991 152 T CA -0.624 61.062 62.100 -0.691 0.000 0.966 152 T CB 1.324 70.003 68.868 -0.315 0.000 0.962 152 T HN 0.917 nan 8.240 nan 0.000 0.438 153 A N 4.182 126.590 122.820 -0.686 0.000 2.531 153 A HA 0.492 4.811 4.320 -0.002 0.000 0.236 153 A C -2.088 175.383 177.584 -0.188 0.000 1.062 153 A CA -0.850 51.008 52.037 -0.299 0.000 0.760 153 A CB -0.773 18.209 19.000 -0.029 0.000 0.995 153 A HN 0.591 nan 8.150 nan 0.000 0.501 154 P HA 0.132 nan 4.420 nan 0.000 0.269 154 P C -0.517 176.748 177.300 -0.058 0.000 1.209 154 P CA -0.016 63.054 63.100 -0.050 0.000 0.776 154 P CB 0.379 32.070 31.700 -0.015 0.000 0.876 155 Q N 3.334 123.109 119.800 -0.041 0.000 2.311 155 Q HA 0.139 4.478 4.340 -0.002 0.000 0.272 155 Q C -1.982 173.980 176.000 -0.063 0.000 1.012 155 Q CA -1.504 54.275 55.803 -0.041 0.000 0.891 155 Q CB -0.356 28.372 28.738 -0.017 0.000 1.201 155 Q HN 0.337 nan 8.270 nan 0.000 0.391 156 P HA -0.070 nan 4.420 nan 0.000 0.264 156 P C 0.536 177.791 177.300 -0.076 0.000 1.183 156 P CA 0.922 63.968 63.100 -0.091 0.000 0.763 156 P CB 0.464 32.127 31.700 -0.061 0.000 0.807 157 G N 2.162 110.899 108.800 -0.104 0.000 2.176 157 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.253 157 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.253 157 G C 0.363 175.227 174.900 -0.059 0.000 0.979 157 G CA -0.080 44.976 45.100 -0.072 0.000 0.641 157 G HN 0.512 nan 8.290 nan 0.000 0.530 158 L N 0.733 121.923 121.223 -0.055 0.000 3.110 158 L HA 0.515 4.854 4.340 -0.002 0.000 0.266 158 L C 1.419 178.320 176.870 0.051 0.000 1.257 158 L CA 0.139 54.994 54.840 0.026 0.000 1.038 158 L CB -0.090 42.008 42.059 0.064 0.000 1.395 158 L HN 1.047 nan 8.230 nan 0.000 0.566 159 G N 1.194 109.923 108.800 -0.118 0.000 2.782 159 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.228 159 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.228 159 G C -0.720 173.971 174.900 -0.348 0.000 1.372 159 G CA -0.837 44.059 45.100 -0.340 0.000 0.862 159 G HN 0.199 nan 8.290 nan 0.000 0.547 160 R N -1.458 118.703 120.500 -0.564 0.000 2.584 160 R HA 0.376 4.715 4.340 -0.002 0.000 0.276 160 R C -1.360 174.770 176.300 -0.282 0.000 1.046 160 R CA -0.657 55.293 56.100 -0.250 0.000 0.906 160 R CB 1.433 31.653 30.300 -0.133 0.000 1.215 160 R HN 0.543 nan 8.270 nan 0.000 0.449 161 W N 0.984 122.328 121.300 0.074 0.000 2.417 161 W HA 0.599 5.260 4.660 0.001 0.000 0.317 161 W C 0.747 177.313 176.519 0.079 0.000 1.121 161 W CA 0.454 57.881 57.345 0.138 0.000 1.208 161 W CB 1.979 31.554 29.460 0.192 0.000 1.253 161 W HN 0.846 nan 8.180 nan 0.000 0.533 162 G N 3.607 112.594 108.800 0.312 0.000 2.402 162 G HA2 0.055 4.013 3.960 -0.002 0.000 0.666 162 G HA3 0.055 4.013 3.960 -0.002 0.000 0.666 162 G C -2.980 171.981 174.900 0.101 0.000 1.402 162 G CA -1.445 43.774 45.100 0.198 0.000 0.920 162 G HN 0.256 nan 8.290 nan 0.000 0.651 163 P HA 0.533 nan 4.420 nan 0.000 0.293 163 P C -0.040 177.286 177.300 0.043 0.000 1.304 163 P CA -0.098 63.030 63.100 0.047 0.000 0.767 163 P CB 0.784 32.483 31.700 -0.003 0.000 1.247 164 T N 0.893 115.475 114.554 0.047 0.000 2.845 164 T HA 0.365 4.713 4.350 -0.002 0.000 0.288 164 T C 0.163 174.822 174.700 -0.068 0.000 0.980 164 T CA -0.160 61.958 62.100 0.031 0.000 1.071 164 T CB -0.000 68.966 68.868 0.165 0.000 0.941 164 T HN 0.135 nan 8.240 nan 0.000 0.487 165 I N 3.781 124.248 120.570 -0.172 0.000 2.307 165 I HA 0.292 4.460 4.170 -0.002 0.000 0.289 165 I C 0.098 176.174 176.117 -0.068 0.000 1.021 165 I CA -1.048 60.110 61.300 -0.238 0.000 1.224 165 I CB 0.830 38.504 38.000 -0.542 0.000 1.376 165 I HN 0.502 nan 8.210 nan 0.000 0.470 166 D N 7.137 127.535 120.400 -0.003 0.000 2.302 166 D HA 0.574 5.213 4.640 -0.002 0.000 0.248 166 D C 0.008 176.401 176.300 0.156 0.000 1.094 166 D CA 0.037 54.128 54.000 0.153 0.000 0.897 166 D CB 1.851 42.783 40.800 0.221 0.000 1.200 166 D HN 0.303 nan 8.370 nan 0.000 0.429 167 L N 2.695 124.095 121.223 0.296 0.000 2.371 167 L HA 0.356 4.695 4.340 -0.002 0.000 0.262 167 L C -1.676 175.438 176.870 0.407 0.000 1.006 167 L CA -1.757 53.270 54.840 0.311 0.000 0.818 167 L CB 2.913 45.147 42.059 0.292 0.000 1.354 167 L HN 0.159 nan 8.230 nan 0.000 0.415 168 P HA 0.028 nan 4.420 nan 0.000 0.231 168 P C -0.059 177.507 177.300 0.445 0.000 1.168 168 P CA 0.857 64.212 63.100 0.425 0.000 0.779 168 P CB 0.438 32.401 31.700 0.439 0.000 0.844 169 I N -4.601 116.233 120.570 0.439 0.000 3.108 169 I HA 0.504 4.672 4.170 -0.002 0.000 0.312 169 I C -0.624 175.651 176.117 0.263 0.000 1.095 169 I CA -1.737 59.781 61.300 0.364 0.000 1.000 169 I CB 2.366 40.499 38.000 0.222 0.000 1.229 169 I HN -0.483 nan 8.210 nan 0.000 0.454 170 V N 3.827 123.718 119.914 -0.039 0.000 2.389 170 V HA 0.256 4.374 4.120 -0.002 0.000 0.264 170 V C -1.960 174.096 176.094 -0.064 0.000 1.049 170 V CA -1.198 60.990 62.300 -0.188 0.000 0.932 170 V CB 0.429 32.045 31.823 -0.345 0.000 1.011 170 V HN 0.613 nan 8.190 nan 0.000 0.475 171 P HA 0.176 nan 4.420 nan 0.000 0.244 171 P C 0.576 177.792 177.300 -0.140 0.000 1.769 171 P CA -0.041 63.040 63.100 -0.032 0.000 1.102 171 P CB 0.761 32.504 31.700 0.071 0.000 1.937 172 A N 2.162 124.860 122.820 -0.203 0.000 2.168 172 A HA 0.345 4.664 4.320 -0.002 0.000 0.215 172 A C 1.111 178.441 177.584 -0.422 0.000 1.152 172 A CA 0.853 52.708 52.037 -0.304 0.000 0.716 172 A CB -0.072 18.728 19.000 -0.332 0.000 0.794 172 A HN 0.501 nan 8.150 nan 0.000 0.465 173 A N -1.650 120.823 122.820 -0.578 0.000 2.515 173 A HA 0.816 5.135 4.320 -0.002 0.000 0.298 173 A C -0.482 176.554 177.584 -0.913 0.000 1.059 173 A CA 0.057 51.554 52.037 -0.900 0.000 0.698 173 A CB 1.171 19.254 19.000 -1.528 0.000 1.289 173 A HN 1.614 nan 8.150 nan 0.000 0.404 174 A N -0.177 122.229 122.820 -0.690 0.000 2.612 174 A HA 1.026 5.344 4.320 -0.002 0.000 0.293 174 A C -0.644 176.856 177.584 -0.140 0.000 1.075 174 A CA 0.021 51.860 52.037 -0.331 0.000 0.680 174 A CB 1.107 20.046 19.000 -0.102 0.000 1.279 174 A HN 2.693 nan 8.150 nan 0.000 0.411 175 A N 0.658 123.480 122.820 0.005 0.000 2.594 175 A HA 0.674 4.993 4.320 -0.002 0.000 0.295 175 A C -1.203 176.401 177.584 0.033 0.000 1.071 175 A CA -0.508 51.570 52.037 0.067 0.000 0.685 175 A CB 0.744 19.840 19.000 0.160 0.000 1.285 175 A HN 0.851 nan 8.150 nan 0.000 0.405 176 I N 1.532 122.145 120.570 0.071 0.000 2.441 176 I HA 0.176 4.345 4.170 -0.002 0.000 0.287 176 I C 0.371 176.470 176.117 -0.030 0.000 1.049 176 I CA 0.063 61.398 61.300 0.057 0.000 1.381 176 I CB 0.637 38.781 38.000 0.240 0.000 1.409 176 I HN 0.697 nan 8.210 nan 0.000 0.523 177 E N 8.110 128.261 120.200 -0.083 0.000 1.996 177 E HA 0.177 4.525 4.350 -0.002 0.000 0.280 177 E C -1.782 174.629 176.600 -0.315 0.000 1.092 177 E CA -1.446 54.892 56.400 -0.105 0.000 0.862 177 E CB 0.592 30.288 29.700 -0.006 0.000 1.066 177 E HN 0.369 nan 8.360 nan 0.000 0.396 178 P HA -0.159 nan 4.420 nan 0.000 0.221 178 P C 1.487 178.317 177.300 -0.784 0.000 1.150 178 P CA 1.111 63.517 63.100 -1.157 0.000 0.800 178 P CB 0.164 30.820 31.700 -1.740 0.000 0.787 179 T N -3.714 110.453 114.554 -0.646 0.000 3.023 179 T HA -0.041 4.307 4.350 -0.002 0.000 0.266 179 T C 1.751 176.318 174.700 -0.222 0.000 1.093 179 T CA 1.415 63.280 62.100 -0.391 0.000 1.129 179 T CB -0.860 67.827 68.868 -0.302 0.000 0.899 179 T HN 0.176 nan 8.240 nan 0.000 0.491 180 S N -0.276 115.305 115.700 -0.198 0.000 2.524 180 S HA 0.497 4.966 4.470 -0.002 0.000 0.222 180 S C 1.969 176.495 174.600 -0.123 0.000 1.040 180 S CA 0.495 58.617 58.200 -0.129 0.000 0.915 180 S CB -0.212 62.931 63.200 -0.095 0.000 0.831 180 S HN 1.175 nan 8.310 nan 0.000 0.492 181 G N 1.885 110.605 108.800 -0.133 0.000 2.162 181 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.260 181 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.260 181 G C 0.135 174.971 174.900 -0.106 0.000 0.976 181 G CA 0.125 45.177 45.100 -0.079 0.000 0.655 181 G HN 0.590 nan 8.290 nan 0.000 0.533 182 R N -0.497 119.930 120.500 -0.123 0.000 2.560 182 R HA 0.501 4.840 4.340 -0.002 0.000 0.270 182 R C 0.096 176.334 176.300 -0.104 0.000 1.074 182 R CA -0.473 55.542 56.100 -0.141 0.000 1.140 182 R CB 1.289 31.525 30.300 -0.108 0.000 1.073 182 R HN 0.079 nan 8.270 nan 0.000 0.527 183 V N 3.776 123.625 119.914 -0.108 0.000 2.364 183 V HA 0.132 4.250 4.120 -0.002 0.000 0.272 183 V C -0.169 175.893 176.094 -0.053 0.000 1.036 183 V CA -0.595 61.622 62.300 -0.138 0.000 0.880 183 V CB 0.992 32.570 31.823 -0.408 0.000 0.991 183 V HN 0.428 nan 8.190 nan 0.000 0.460 184 L N 7.198 128.399 121.223 -0.036 0.000 2.292 184 L HA 0.684 5.023 4.340 -0.002 0.000 0.284 184 L C -0.273 176.674 176.870 0.128 0.000 1.065 184 L CA 0.446 55.309 54.840 0.038 0.000 0.806 184 L CB 1.049 43.056 42.059 -0.086 0.000 1.175 184 L HN 0.649 nan 8.230 nan 0.000 0.431 185 M N 4.840 124.570 119.600 0.216 0.000 2.572 185 M HA 0.573 5.052 4.480 -0.002 0.000 0.299 185 M C -1.656 174.864 176.300 0.366 0.000 1.205 185 M CA -0.333 55.066 55.300 0.165 0.000 0.876 185 M CB 2.195 34.879 32.600 0.141 0.000 1.728 185 M HN 0.732 nan 8.290 nan 0.000 0.458 186 W N -0.145 121.200 121.300 0.075 0.000 3.118 186 W HA 0.795 5.453 4.660 -0.004 0.000 0.328 186 W C -0.463 176.088 176.519 0.054 0.000 1.239 186 W CA -0.554 56.825 57.345 0.058 0.000 1.176 186 W CB 0.262 29.735 29.460 0.022 0.000 1.433 186 W HN 0.705 nan 8.180 nan 0.000 0.562 187 S N 0.709 116.579 115.700 0.283 0.000 2.885 187 S HA 0.713 5.182 4.470 -0.002 0.000 0.172 187 S C 0.449 175.224 174.600 0.292 0.000 0.703 187 S CA 0.744 59.046 58.200 0.170 0.000 0.820 187 S CB 0.337 63.579 63.200 0.070 0.000 0.766 187 S HN 0.926 nan 8.310 nan 0.000 0.605 188 S N -0.993 114.837 115.700 0.217 0.000 3.047 188 S HA 0.308 4.777 4.470 -0.002 0.000 0.308 188 S C 0.052 174.787 174.600 0.224 0.000 1.245 188 S CA 0.135 58.493 58.200 0.263 0.000 1.109 188 S CB -0.610 62.707 63.200 0.196 0.000 1.417 188 S HN 0.682 nan 8.310 nan 0.000 0.555 189 Y N 1.980 122.330 120.300 0.083 0.000 2.421 189 Y HA 0.445 4.994 4.550 -0.002 0.000 0.292 189 Y C 0.714 176.640 175.900 0.043 0.000 1.136 189 Y CA 0.675 58.810 58.100 0.059 0.000 1.255 189 Y CB -0.200 38.295 38.460 0.058 0.000 0.991 189 Y HN 0.233 nan 8.280 nan 0.000 0.552 190 R N 0.953 121.165 120.500 -0.479 0.000 2.892 190 R HA 0.185 4.524 4.340 -0.002 0.000 0.265 190 R C 0.769 176.927 176.300 -0.236 0.000 1.025 190 R CA -0.153 55.659 56.100 -0.480 0.000 0.982 190 R CB 0.715 30.565 30.300 -0.750 0.000 1.185 190 R HN 0.253 nan 8.270 nan 0.000 0.484 191 N N 0.561 119.104 118.700 -0.262 0.000 2.381 191 N HA -0.164 4.575 4.740 -0.002 0.000 0.182 191 N C 0.376 175.855 175.510 -0.052 0.000 1.025 191 N CA 1.520 54.478 53.050 -0.152 0.000 0.888 191 N CB 0.011 38.248 38.487 -0.416 0.000 0.965 191 N HN 0.650 nan 8.380 nan 0.000 0.438 192 D N -1.753 118.570 120.400 -0.127 0.000 2.525 192 D HA 0.367 5.006 4.640 -0.002 0.000 0.231 192 D C -0.216 175.996 176.300 -0.147 0.000 1.216 192 D CA -0.322 53.618 54.000 -0.100 0.000 0.813 192 D CB 0.175 41.014 40.800 0.065 0.000 1.108 192 D HN 0.309 nan 8.370 nan 0.000 0.524 193 A N -0.202 122.508 122.820 -0.183 0.000 2.606 193 A HA 0.574 4.893 4.320 -0.002 0.000 0.293 193 A C -0.887 176.641 177.584 -0.093 0.000 1.082 193 A CA -0.768 51.161 52.037 -0.181 0.000 0.685 193 A CB 0.601 19.466 19.000 -0.225 0.000 1.284 193 A HN 0.137 nan 8.150 nan 0.000 0.408 194 F N -0.250 119.617 119.950 -0.138 0.000 2.778 194 F HA 0.510 5.036 4.527 -0.003 0.000 0.314 194 F C 0.975 176.876 175.800 0.170 0.000 1.073 194 F CA 0.008 57.973 58.000 -0.059 0.000 1.218 194 F CB -0.237 38.307 39.000 -0.760 0.000 1.037 194 F HN 0.714 nan 8.300 nan 0.000 0.594 195 G N 0.572 108.866 108.800 -0.844 0.000 2.398 195 G HA2 0.374 4.333 3.960 -0.002 0.000 0.246 195 G HA3 0.374 4.333 3.960 -0.002 0.000 0.246 195 G C 0.999 175.813 174.900 -0.143 0.000 1.289 195 G CA 0.154 44.906 45.100 -0.581 0.000 0.869 195 G HN 1.323 nan 8.290 nan 0.000 0.543 196 G N 0.576 109.279 108.800 -0.162 0.000 2.157 196 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.248 196 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.248 196 G C 0.740 175.351 174.900 -0.482 0.000 0.979 196 G CA 0.596 45.595 45.100 -0.168 0.000 0.650 196 G HN 1.499 nan 8.290 nan 0.000 0.529 197 S N 1.131 116.392 115.700 -0.732 0.000 2.549 197 S HA 0.466 4.934 4.470 -0.002 0.000 0.286 197 S C 0.059 174.348 174.600 -0.519 0.000 1.314 197 S CA -0.019 57.465 58.200 -1.194 0.000 1.062 197 S CB 1.074 63.924 63.200 -0.583 0.000 0.865 197 S HN 0.294 nan 8.310 nan 0.000 0.498 198 P HA 0.253 nan 4.420 nan 0.000 0.255 198 P C 0.714 177.964 177.300 -0.084 0.000 1.248 198 P CA 0.386 63.387 63.100 -0.165 0.000 0.807 198 P CB -0.675 30.969 31.700 -0.094 0.000 1.150 199 G N 0.039 108.792 108.800 -0.078 0.000 2.860 199 G HA2 0.081 4.040 3.960 -0.002 0.000 0.553 199 G HA3 0.081 4.040 3.960 -0.002 0.000 0.553 199 G C 0.564 175.492 174.900 0.047 0.000 1.439 199 G CA -0.038 45.075 45.100 0.020 0.000 0.879 199 G HN 0.679 nan 8.290 nan 0.000 0.545 200 G N -1.501 107.346 108.800 0.077 0.000 2.176 200 G HA2 0.050 4.008 3.960 -0.002 0.000 0.253 200 G HA3 0.050 4.008 3.960 -0.002 0.000 0.253 200 G C 0.422 175.358 174.900 0.060 0.000 0.979 200 G CA 1.237 46.377 45.100 0.067 0.000 0.641 200 G HN 2.300 nan 8.290 nan 0.000 0.530 201 I N 0.450 121.066 120.570 0.075 0.000 2.692 201 I HA 0.662 4.831 4.170 -0.002 0.000 0.293 201 I C -1.079 175.067 176.117 0.048 0.000 1.200 201 I CA -0.554 60.779 61.300 0.056 0.000 1.036 201 I CB 2.082 40.142 38.000 0.100 0.000 1.258 201 I HN -0.007 nan 8.210 nan 0.000 0.421 202 T N 7.627 122.150 114.554 -0.051 0.000 2.841 202 T HA 0.475 4.824 4.350 -0.002 0.000 0.285 202 T C -0.708 173.977 174.700 -0.025 0.000 0.991 202 T CA -0.419 61.644 62.100 -0.062 0.000 0.966 202 T CB 1.340 70.031 68.868 -0.295 0.000 0.962 202 T HN 0.272 nan 8.240 nan 0.000 0.438 203 L N 4.324 125.591 121.223 0.074 0.000 2.360 203 L HA 0.475 4.814 4.340 -0.002 0.000 0.276 203 L C 1.125 178.094 176.870 0.166 0.000 1.121 203 L CA 0.294 55.203 54.840 0.115 0.000 0.845 203 L CB 0.533 42.675 42.059 0.138 0.000 1.143 203 L HN 0.874 nan 8.230 nan 0.000 0.452 204 T N -0.163 114.490 114.554 0.165 0.000 2.930 204 T HA 0.839 5.188 4.350 -0.002 0.000 0.290 204 T C -0.330 174.511 174.700 0.235 0.000 1.052 204 T CA -0.798 61.447 62.100 0.242 0.000 1.017 204 T CB 1.897 70.908 68.868 0.239 0.000 1.137 204 T HN 0.461 nan 8.240 nan 0.000 0.511 205 S N 0.120 115.970 115.700 0.250 0.000 2.537 205 S HA 0.716 5.184 4.470 -0.002 0.000 0.270 205 S C -1.140 173.585 174.600 0.208 0.000 1.142 205 S CA -0.494 57.841 58.200 0.224 0.000 0.870 205 S CB 1.359 64.702 63.200 0.238 0.000 1.112 205 S HN 1.473 nan 8.310 nan 0.000 0.466 206 S N 2.694 118.505 115.700 0.186 0.000 2.568 206 S HA 0.787 5.256 4.470 -0.002 0.000 0.293 206 S C -1.541 173.193 174.600 0.223 0.000 1.089 206 S CA -0.732 57.564 58.200 0.159 0.000 0.945 206 S CB 1.305 64.561 63.200 0.093 0.000 1.077 206 S HN 0.836 nan 8.310 nan 0.000 0.485 207 W N 2.513 123.807 121.300 -0.010 0.000 2.656 207 W HA 0.569 5.229 4.660 0.001 0.000 0.327 207 W C -1.472 175.025 176.519 -0.037 0.000 1.041 207 W CA -0.570 56.774 57.345 -0.001 0.000 1.229 207 W CB 1.578 31.062 29.460 0.042 0.000 1.397 207 W HN 0.747 nan 8.180 nan 0.000 0.479 208 D N 7.581 127.613 120.400 -0.614 0.000 2.412 208 D HA 0.283 4.921 4.640 -0.002 0.000 0.224 208 D C -1.604 174.017 176.300 -1.131 0.000 1.093 208 D CA -2.358 51.238 54.000 -0.673 0.000 0.850 208 D CB 2.251 42.850 40.800 -0.335 0.000 1.046 208 D HN 0.105 nan 8.370 nan 0.000 0.507 209 P HA -0.157 nan 4.420 nan 0.000 0.218 209 P C 1.346 178.366 177.300 -0.467 0.000 1.148 209 P CA 1.093 63.546 63.100 -1.078 0.000 0.822 209 P CB 0.207 31.558 31.700 -0.582 0.000 0.784 210 S N -1.611 113.884 115.700 -0.342 0.000 2.406 210 S HA -0.098 4.370 4.470 -0.002 0.000 0.228 210 S C 1.826 176.337 174.600 -0.148 0.000 1.020 210 S CA 1.787 59.876 58.200 -0.185 0.000 0.965 210 S CB -1.666 61.449 63.200 -0.142 0.000 0.798 210 S HN 0.306 nan 8.310 nan 0.000 0.488 211 T N -4.010 110.430 114.554 -0.189 0.000 2.978 211 T HA 0.521 4.870 4.350 -0.002 0.000 0.248 211 T C 1.690 176.344 174.700 -0.077 0.000 1.018 211 T CA 0.809 62.842 62.100 -0.112 0.000 1.026 211 T CB -0.130 68.680 68.868 -0.098 0.000 1.032 211 T HN 1.236 nan 8.240 nan 0.000 0.485 212 G N 1.730 110.447 108.800 -0.138 0.000 2.179 212 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.260 212 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.260 212 G C 0.021 174.999 174.900 0.131 0.000 0.977 212 G CA 0.163 45.311 45.100 0.081 0.000 0.641 212 G HN 0.680 nan 8.290 nan 0.000 0.533 213 I N 1.162 121.734 120.570 0.003 0.000 2.471 213 I HA 0.349 4.518 4.170 -0.002 0.000 0.286 213 I C 0.629 176.824 176.117 0.131 0.000 1.079 213 I CA -0.537 60.792 61.300 0.049 0.000 1.398 213 I CB 1.449 39.450 38.000 0.002 0.000 1.403 213 I HN -0.107 nan 8.210 nan 0.000 0.530 214 V N 6.559 126.579 119.914 0.177 0.000 2.370 214 V HA 0.361 4.480 4.120 -0.002 0.000 0.279 214 V C 0.274 176.452 176.094 0.139 0.000 1.029 214 V CA -0.220 62.208 62.300 0.213 0.000 0.870 214 V CB 1.257 33.206 31.823 0.210 0.000 0.984 214 V HN 0.926 nan 8.190 nan 0.000 0.451 215 S N 3.251 119.034 115.700 0.138 0.000 2.751 215 S HA 0.924 5.393 4.470 -0.002 0.000 0.310 215 S C -1.176 173.510 174.600 0.145 0.000 1.128 215 S CA -0.895 57.376 58.200 0.118 0.000 0.931 215 S CB 2.394 65.649 63.200 0.092 0.000 1.177 215 S HN 0.788 nan 8.310 nan 0.000 0.530 216 D N -1.146 119.334 120.400 0.134 0.000 2.596 216 D HA 0.654 5.293 4.640 -0.002 0.000 0.234 216 D C -0.914 175.469 176.300 0.139 0.000 1.181 216 D CA -0.716 53.377 54.000 0.154 0.000 0.856 216 D CB 1.232 42.134 40.800 0.170 0.000 1.498 216 D HN 0.711 nan 8.370 nan 0.000 0.446 217 R N -0.032 120.558 120.500 0.150 0.000 2.536 217 R HA 0.474 4.812 4.340 -0.002 0.000 0.269 217 R C -1.543 174.821 176.300 0.106 0.000 1.113 217 R CA -0.505 55.675 56.100 0.134 0.000 0.948 217 R CB 1.865 32.267 30.300 0.170 0.000 1.237 217 R HN 0.587 nan 8.270 nan 0.000 0.441 218 T N 3.465 118.067 114.554 0.081 0.000 2.771 218 T HA 0.298 4.646 4.350 -0.002 0.000 0.291 218 T C -0.415 174.283 174.700 -0.003 0.000 0.954 218 T CA -0.321 61.806 62.100 0.047 0.000 1.045 218 T CB 1.219 70.127 68.868 0.066 0.000 0.917 218 T HN 0.223 nan 8.240 nan 0.000 0.484 219 V N 4.638 124.491 119.914 -0.101 0.000 2.328 219 V HA 0.367 4.485 4.120 -0.002 0.000 0.278 219 V C 1.182 177.189 176.094 -0.146 0.000 1.021 219 V CA -0.536 61.642 62.300 -0.203 0.000 0.838 219 V CB 0.956 32.410 31.823 -0.614 0.000 0.999 219 V HN 1.144 nan 8.190 nan 0.000 0.447 220 T N 0.422 114.942 114.554 -0.058 0.000 2.958 220 T HA 0.013 4.361 4.350 -0.002 0.000 0.256 220 T C 1.515 176.219 174.700 0.007 0.000 0.983 220 T CA 0.712 62.803 62.100 -0.015 0.000 0.924 220 T CB 0.670 69.549 68.868 0.019 0.000 1.136 220 T HN 0.260 nan 8.240 nan 0.000 0.506 221 V N 3.666 123.590 119.914 0.018 0.000 2.469 221 V HA -0.117 4.002 4.120 -0.002 0.000 0.251 221 V C 2.547 178.676 176.094 0.059 0.000 1.064 221 V CA 2.612 64.943 62.300 0.052 0.000 1.066 221 V CB -0.759 31.114 31.823 0.084 0.000 0.667 221 V HN 0.854 nan 8.190 nan 0.000 0.461 222 T N -3.346 111.236 114.554 0.047 0.000 3.107 222 T HA 0.110 4.459 4.350 -0.002 0.000 0.249 222 T C 0.792 175.539 174.700 0.078 0.000 1.096 222 T CA 0.130 62.277 62.100 0.079 0.000 1.012 222 T CB -0.364 68.565 68.868 0.102 0.000 0.977 222 T HN 0.614 nan 8.240 nan 0.000 0.527 223 K N 1.212 121.645 120.400 0.055 0.000 3.278 223 K HA -0.240 4.079 4.320 -0.002 0.000 0.270 223 K C -0.403 176.258 176.600 0.102 0.000 0.955 223 K CA 0.637 56.958 56.287 0.057 0.000 0.723 223 K CB -2.211 30.312 32.500 0.039 0.000 1.382 223 K HN 0.859 nan 8.250 nan 0.000 0.461 224 H N 0.220 119.264 119.070 -0.042 0.000 3.096 224 H HA 0.115 4.670 4.556 -0.002 0.000 0.335 224 H C -1.470 173.826 175.328 -0.054 0.000 0.990 224 H CA -0.966 55.055 56.048 -0.045 0.000 1.393 224 H CB 1.286 31.003 29.762 -0.075 0.000 1.742 224 H HN 0.193 nan 8.280 nan 0.000 0.501 225 D N 5.762 126.290 120.400 0.214 0.000 2.393 225 D HA 0.066 4.705 4.640 -0.002 0.000 0.232 225 D C 0.527 176.881 176.300 0.091 0.000 1.192 225 D CA -0.293 53.789 54.000 0.136 0.000 0.882 225 D CB 0.787 41.721 40.800 0.222 0.000 1.038 225 D HN 0.651 nan 8.370 nan 0.000 0.499 226 M N 3.586 123.055 119.600 -0.218 0.000 2.639 226 M HA 0.085 4.563 4.480 -0.002 0.000 0.220 226 M C 0.343 176.789 176.300 0.243 0.000 1.155 226 M CA -0.373 54.727 55.300 -0.333 0.000 1.003 226 M CB -0.124 31.997 32.600 -0.799 0.000 1.725 226 M HN 0.301 nan 8.290 nan 0.000 0.489 227 F N -0.053 120.005 119.950 0.179 0.000 2.518 227 F HA 0.050 4.575 4.527 -0.003 0.000 0.359 227 F C 0.907 176.732 175.800 0.042 0.000 1.118 227 F CA -0.073 58.012 58.000 0.141 0.000 1.287 227 F CB 0.372 39.457 39.000 0.141 0.000 1.132 227 F HN 0.237 nan 8.300 nan 0.000 0.587 228 C N 4.769 123.423 119.300 -1.076 0.000 4.424 228 C HA -0.122 4.337 4.460 -0.002 0.000 0.304 228 C C -2.374 172.396 174.990 -0.367 0.000 1.344 228 C CA -0.060 58.339 59.018 -1.032 0.000 2.033 228 C CB -2.889 24.070 27.740 -1.301 0.000 1.264 228 C HN 0.728 nan 8.230 nan 0.000 0.750 229 P HA 0.555 nan 4.420 nan 0.000 0.287 229 P C 0.156 177.456 177.300 -0.001 0.000 1.292 229 P CA 0.309 63.417 63.100 0.014 0.000 0.879 229 P CB 0.798 32.601 31.700 0.171 0.000 1.214 230 G N 0.304 109.128 108.800 0.041 0.000 2.483 230 G HA2 0.548 4.506 3.960 -0.002 0.000 0.248 230 G HA3 0.548 4.506 3.960 -0.002 0.000 0.248 230 G C -0.511 174.470 174.900 0.136 0.000 1.248 230 G CA -0.536 44.598 45.100 0.058 0.000 0.838 230 G HN 0.411 nan 8.290 nan 0.000 0.566 231 I N 0.501 121.152 120.570 0.135 0.000 2.534 231 I HA 0.395 4.563 4.170 -0.002 0.000 0.288 231 I C -0.412 175.798 176.117 0.154 0.000 1.077 231 I CA -0.503 60.909 61.300 0.188 0.000 1.051 231 I CB 2.378 40.514 38.000 0.226 0.000 1.234 231 I HN 0.345 nan 8.210 nan 0.000 0.425 232 S N 5.767 121.570 115.700 0.170 0.000 2.546 232 S HA 0.553 5.022 4.470 -0.002 0.000 0.274 232 S C -0.720 173.975 174.600 0.158 0.000 1.121 232 S CA -0.692 57.601 58.200 0.156 0.000 0.887 232 S CB 2.402 65.705 63.200 0.172 0.000 1.094 232 S HN 0.703 nan 8.310 nan 0.000 0.474 233 M N 3.793 123.481 119.600 0.146 0.000 2.084 233 M HA 0.334 4.812 4.480 -0.002 0.000 0.351 233 M C -0.549 175.835 176.300 0.140 0.000 1.240 233 M CA -0.464 54.925 55.300 0.148 0.000 1.083 233 M CB 0.081 32.772 32.600 0.152 0.000 1.593 233 M HN 0.725 nan 8.290 nan 0.000 0.463 234 D N 3.789 124.274 120.400 0.142 0.000 2.414 234 D HA 0.239 4.878 4.640 -0.002 0.000 0.251 234 D C 1.138 177.491 176.300 0.089 0.000 1.252 234 D CA -0.185 53.898 54.000 0.139 0.000 0.999 234 D CB 0.330 41.246 40.800 0.194 0.000 1.093 234 D HN 0.692 nan 8.370 nan 0.000 0.515 235 G N -0.835 108.006 108.800 0.068 0.000 2.509 235 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.218 235 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.218 235 G C 0.873 175.764 174.900 -0.016 0.000 1.124 235 G CA 0.135 45.254 45.100 0.031 0.000 0.776 235 G HN 0.456 nan 8.290 nan 0.000 0.547 236 N N 0.533 119.232 118.700 -0.003 0.000 2.295 236 N HA 0.219 4.958 4.740 -0.002 0.000 0.221 236 N C 1.380 176.878 175.510 -0.020 0.000 1.129 236 N CA 0.490 53.527 53.050 -0.021 0.000 0.836 236 N CB 0.152 38.637 38.487 -0.003 0.000 1.040 236 N HN 0.284 nan 8.380 nan 0.000 0.494 237 G N 0.639 109.415 108.800 -0.039 0.000 2.249 237 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.273 237 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.273 237 G C -0.216 174.767 174.900 0.139 0.000 1.036 237 G CA 0.074 45.203 45.100 0.050 0.000 0.824 237 G HN 0.411 nan 8.290 nan 0.000 0.504 238 Q N -1.019 118.836 119.800 0.092 0.000 2.353 238 Q HA 0.585 4.924 4.340 -0.002 0.000 0.268 238 Q C 0.262 176.322 176.000 0.100 0.000 1.045 238 Q CA -0.945 54.895 55.803 0.061 0.000 0.811 238 Q CB 1.912 30.675 28.738 0.042 0.000 1.305 238 Q HN 0.400 nan 8.270 nan 0.000 0.447 239 I N 2.578 123.208 120.570 0.099 0.000 2.379 239 I HA 0.102 4.271 4.170 -0.002 0.000 0.290 239 I C -0.306 175.886 176.117 0.125 0.000 1.063 239 I CA -0.452 60.932 61.300 0.140 0.000 1.351 239 I CB 0.645 38.752 38.000 0.178 0.000 1.410 239 I HN 0.218 nan 8.210 nan 0.000 0.505 240 V N 8.090 128.080 119.914 0.126 0.000 2.368 240 V HA 0.197 4.316 4.120 -0.002 0.000 0.266 240 V C 0.199 176.395 176.094 0.170 0.000 1.045 240 V CA -0.495 61.856 62.300 0.084 0.000 0.899 240 V CB 1.265 33.078 31.823 -0.018 0.000 1.006 240 V HN 0.394 nan 8.190 nan 0.000 0.470 241 V N 4.931 124.968 119.914 0.205 0.000 2.370 241 V HA 0.518 4.636 4.120 -0.002 0.000 0.283 241 V C 0.340 176.596 176.094 0.269 0.000 1.023 241 V CA -0.411 62.027 62.300 0.230 0.000 0.857 241 V CB 1.845 33.752 31.823 0.140 0.000 0.985 241 V HN 0.970 nan 8.190 nan 0.000 0.443 242 T N 1.531 116.222 114.554 0.228 0.000 2.792 242 T HA 0.781 5.130 4.350 -0.002 0.000 0.280 242 T C 0.507 175.291 174.700 0.141 0.000 0.990 242 T CA 0.150 62.340 62.100 0.149 0.000 0.960 242 T CB 1.459 70.326 68.868 -0.001 0.000 0.939 242 T HN 1.609 nan 8.240 nan 0.000 0.439 243 G N 2.279 111.134 108.800 0.092 0.000 2.552 243 G HA2 0.259 4.217 3.960 -0.002 0.000 0.265 243 G HA3 0.259 4.217 3.960 -0.002 0.000 0.265 243 G C 0.551 175.609 174.900 0.263 0.000 1.234 243 G CA 0.565 45.704 45.100 0.065 0.000 0.944 243 G HN 2.535 nan 8.290 nan 0.000 0.568 244 G N -1.051 107.871 108.800 0.203 0.000 2.520 244 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.248 244 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.248 244 G C 0.900 176.060 174.900 0.434 0.000 1.161 244 G CA 0.867 46.142 45.100 0.292 0.000 0.946 244 G HN 1.771 nan 8.290 nan 0.000 0.565 245 N N 1.813 120.816 118.700 0.505 0.000 2.223 245 N HA 0.021 4.759 4.740 -0.002 0.000 0.185 245 N C 0.368 176.042 175.510 0.274 0.000 1.016 245 N CA 1.586 54.920 53.050 0.474 0.000 0.863 245 N CB -0.065 38.724 38.487 0.505 0.000 0.983 245 N HN 0.512 nan 8.380 nan 0.000 0.429 246 D N -0.179 120.383 120.400 0.270 0.000 2.473 246 D HA 0.242 4.881 4.640 -0.002 0.000 0.226 246 D C 0.384 176.692 176.300 0.013 0.000 1.089 246 D CA -0.146 53.922 54.000 0.113 0.000 0.883 246 D CB 1.346 42.194 40.800 0.080 0.000 1.029 246 D HN 0.072 nan 8.370 nan 0.000 0.517 247 A N 2.803 125.633 122.820 0.016 0.000 2.015 247 A HA -0.146 4.172 4.320 -0.002 0.000 0.219 247 A C 1.853 179.384 177.584 -0.088 0.000 1.163 247 A CA 1.155 53.188 52.037 -0.005 0.000 0.646 247 A CB 0.099 19.097 19.000 -0.003 0.000 0.806 247 A HN 0.290 nan 8.150 nan 0.000 0.448 248 K N -0.605 119.725 120.400 -0.118 0.000 2.358 248 K HA 0.078 4.396 4.320 -0.002 0.000 0.197 248 K C -0.248 176.224 176.600 -0.215 0.000 1.025 248 K CA -0.055 56.140 56.287 -0.154 0.000 1.104 248 K CB 0.265 32.707 32.500 -0.096 0.000 0.855 248 K HN 0.144 nan 8.250 nan 0.000 0.531 249 K N 1.031 121.235 120.400 -0.327 0.000 2.185 249 K HA 0.178 4.496 4.320 -0.002 0.000 0.271 249 K C -0.318 176.059 176.600 -0.371 0.000 1.013 249 K CA -0.042 55.979 56.287 -0.443 0.000 0.943 249 K CB 1.609 33.635 32.500 -0.791 0.000 0.998 249 K HN -0.174 nan 8.250 nan 0.000 0.468 250 T N 0.989 115.480 114.554 -0.105 0.000 2.812 250 T HA 0.316 4.665 4.350 -0.002 0.000 0.282 250 T C -0.427 174.388 174.700 0.192 0.000 0.990 250 T CA -0.604 61.560 62.100 0.107 0.000 0.960 250 T CB 1.071 70.083 68.868 0.241 0.000 0.948 250 T HN 0.310 nan 8.240 nan 0.000 0.438 251 S N 3.048 118.942 115.700 0.323 0.000 2.475 251 S HA 0.620 5.089 4.470 -0.002 0.000 0.298 251 S C -0.446 174.354 174.600 0.332 0.000 1.119 251 S CA -0.828 57.576 58.200 0.339 0.000 1.085 251 S CB 0.675 64.050 63.200 0.291 0.000 1.028 251 S HN 0.485 nan 8.310 nan 0.000 0.489 252 L N 3.354 124.763 121.223 0.310 0.000 2.305 252 L HA 0.470 4.808 4.340 -0.002 0.000 0.284 252 L C -1.042 175.860 176.870 0.055 0.000 1.013 252 L CA -0.847 54.094 54.840 0.168 0.000 0.819 252 L CB 0.789 42.905 42.059 0.094 0.000 1.227 252 L HN 0.666 nan 8.230 nan 0.000 0.417 253 Y N 2.483 122.575 120.300 -0.347 0.000 2.335 253 Y HA 0.303 4.850 4.550 -0.004 0.000 0.339 253 Y C -0.472 175.182 175.900 -0.410 0.000 0.987 253 Y CA -0.674 56.930 58.100 -0.827 0.000 1.140 253 Y CB 1.371 38.968 38.460 -1.439 0.000 1.173 253 Y HN 0.572 nan 8.280 nan 0.000 0.486 254 D N 3.606 123.352 120.400 -1.091 0.000 2.373 254 D HA 0.165 4.804 4.640 -0.002 0.000 0.227 254 D C 0.727 176.403 176.300 -1.041 0.000 1.091 254 D CA -0.028 53.528 54.000 -0.741 0.000 0.840 254 D CB 1.573 42.134 40.800 -0.398 0.000 1.060 254 D HN 0.582 nan 8.370 nan 0.000 0.502 255 S N 2.404 117.706 115.700 -0.664 0.000 2.368 255 S HA -0.196 4.273 4.470 -0.002 0.000 0.225 255 S C 2.025 176.458 174.600 -0.278 0.000 1.030 255 S CA 1.874 59.840 58.200 -0.389 0.000 0.999 255 S CB -0.262 62.812 63.200 -0.211 0.000 0.844 255 S HN 0.624 nan 8.310 nan 0.000 0.459 256 S N 1.282 116.856 115.700 -0.210 0.000 2.370 256 S HA -0.108 4.361 4.470 -0.002 0.000 0.226 256 S C 1.964 176.484 174.600 -0.133 0.000 1.033 256 S CA 1.639 59.760 58.200 -0.131 0.000 1.011 256 S CB -0.914 62.247 63.200 -0.064 0.000 0.852 256 S HN 0.714 nan 8.310 nan 0.000 0.457 257 S N 0.467 116.061 115.700 -0.178 0.000 2.575 257 S HA 0.140 4.609 4.470 -0.002 0.000 0.215 257 S C 0.435 174.945 174.600 -0.150 0.000 0.966 257 S CA 0.555 58.671 58.200 -0.140 0.000 0.911 257 S CB -0.611 62.514 63.200 -0.124 0.000 0.780 257 S HN 0.452 nan 8.310 nan 0.000 0.514 258 D N 1.701 121.965 120.400 -0.227 0.000 2.686 258 D HA -0.166 4.472 4.640 -0.002 0.000 0.235 258 D C -0.185 176.053 176.300 -0.103 0.000 1.160 258 D CA 1.034 54.952 54.000 -0.138 0.000 0.645 258 D CB -1.439 39.372 40.800 0.019 0.000 1.039 258 D HN 0.730 nan 8.370 nan 0.000 0.423 259 S N -1.298 114.208 115.700 -0.324 0.000 2.595 259 S HA 0.761 5.230 4.470 -0.002 0.000 0.281 259 S C -0.695 173.754 174.600 -0.251 0.000 1.117 259 S CA -1.109 57.012 58.200 -0.132 0.000 0.873 259 S CB 1.081 64.251 63.200 -0.050 0.000 1.108 259 S HN 0.214 nan 8.310 nan 0.000 0.477 260 W N 1.000 122.326 121.300 0.043 0.000 2.433 260 W HA 0.714 5.373 4.660 -0.002 0.000 0.315 260 W C -0.538 175.995 176.519 0.024 0.000 1.087 260 W CA -0.633 56.744 57.345 0.054 0.000 1.205 260 W CB 1.168 30.669 29.460 0.069 0.000 1.288 260 W HN 0.529 nan 8.180 nan 0.000 0.504 261 I N 5.167 125.886 120.570 0.249 0.000 2.466 261 I HA 0.297 4.466 4.170 -0.002 0.000 0.289 261 I C -2.165 174.058 176.117 0.177 0.000 1.026 261 I CA -2.529 58.864 61.300 0.156 0.000 1.078 261 I CB 1.910 39.955 38.000 0.076 0.000 1.249 261 I HN 0.014 nan 8.210 nan 0.000 0.429 262 P HA 0.085 nan 4.420 nan 0.000 0.265 262 P C -0.032 177.350 177.300 0.137 0.000 1.193 262 P CA 0.025 63.208 63.100 0.138 0.000 0.765 262 P CB 0.603 32.365 31.700 0.105 0.000 0.823 263 G N 3.089 111.976 108.800 0.145 0.000 2.601 263 G HA2 0.608 4.566 3.960 -0.002 0.000 0.317 263 G HA3 0.608 4.566 3.960 -0.002 0.000 0.317 263 G C -2.691 172.319 174.900 0.183 0.000 1.246 263 G CA -1.644 43.551 45.100 0.158 0.000 1.012 263 G HN 0.311 nan 8.290 nan 0.000 0.494 264 P HA 0.179 nan 4.420 nan 0.000 0.271 264 P C -0.809 176.688 177.300 0.329 0.000 1.216 264 P CA -0.366 62.907 63.100 0.288 0.000 0.776 264 P CB 0.979 32.892 31.700 0.354 0.000 0.881 265 D N 2.106 122.616 120.400 0.183 0.000 2.472 265 D HA 0.052 4.690 4.640 -0.002 0.000 0.237 265 D C 0.929 177.252 176.300 0.037 0.000 1.141 265 D CA 0.608 54.647 54.000 0.065 0.000 0.875 265 D CB 0.169 40.980 40.800 0.018 0.000 1.192 265 D HN 0.281 nan 8.370 nan 0.000 0.450 266 M N 1.840 121.254 119.600 -0.311 0.000 2.207 266 M HA -0.038 4.440 4.480 -0.002 0.000 0.311 266 M C 1.546 177.709 176.300 -0.227 0.000 1.127 266 M CA -0.140 54.767 55.300 -0.654 0.000 1.181 266 M CB 0.539 32.608 32.600 -0.885 0.000 1.409 266 M HN 0.263 nan 8.290 nan 0.000 0.461 267 Q N 0.518 120.231 119.800 -0.145 0.000 2.172 267 Q HA 0.074 4.413 4.340 -0.002 0.000 0.200 267 Q C -0.082 175.894 176.000 -0.041 0.000 0.964 267 Q CA 0.903 56.693 55.803 -0.022 0.000 0.855 267 Q CB 0.001 28.769 28.738 0.051 0.000 0.918 267 Q HN 0.519 nan 8.270 nan 0.000 0.444 268 V N 0.693 120.547 119.914 -0.100 0.000 2.604 268 V HA 0.545 4.663 4.120 -0.002 0.000 0.305 268 V C -0.407 175.631 176.094 -0.094 0.000 1.043 268 V CA -1.174 61.108 62.300 -0.029 0.000 0.888 268 V CB 1.624 33.451 31.823 0.007 0.000 0.995 268 V HN 0.113 nan 8.190 nan 0.000 0.429 269 A N 5.692 128.507 122.820 -0.008 0.000 2.450 269 A HA 0.722 5.041 4.320 -0.002 0.000 0.255 269 A C 0.213 177.734 177.584 -0.105 0.000 1.096 269 A CA -0.025 51.983 52.037 -0.048 0.000 0.778 269 A CB 0.112 19.123 19.000 0.018 0.000 1.031 269 A HN 0.878 nan 8.150 nan 0.000 0.494 270 R N 0.959 121.387 120.500 -0.120 0.000 2.668 270 R HA 0.661 5.000 4.340 -0.002 0.000 0.272 270 R C -0.345 175.934 176.300 -0.036 0.000 1.019 270 R CA -0.442 55.578 56.100 -0.133 0.000 0.894 270 R CB 2.707 32.898 30.300 -0.182 0.000 1.228 270 R HN 0.929 nan 8.270 nan 0.000 0.460 271 G N 0.504 109.307 108.800 0.005 0.000 2.682 271 G HA2 0.467 4.426 3.960 -0.002 0.000 0.300 271 G HA3 0.467 4.426 3.960 -0.002 0.000 0.300 271 G C -1.018 173.946 174.900 0.107 0.000 1.391 271 G CA -0.328 44.860 45.100 0.147 0.000 0.990 271 G HN 0.587 nan 8.290 nan 0.000 0.501 272 Y N -0.792 119.349 120.300 -0.265 0.000 4.798 272 Y HA -0.227 4.322 4.550 -0.002 0.000 0.237 272 Y C 1.611 177.316 175.900 -0.325 0.000 1.017 272 Y CA 0.399 58.259 58.100 -0.400 0.000 2.010 272 Y CB -2.082 36.050 38.460 -0.547 0.000 1.582 272 Y HN 0.843 nan 8.280 nan 0.000 0.621 273 Q N 0.666 120.422 119.800 -0.073 0.000 2.454 273 Q HA 0.416 4.754 4.340 -0.002 0.000 0.247 273 Q C 0.087 176.057 176.000 -0.050 0.000 1.028 273 Q CA 0.231 55.973 55.803 -0.101 0.000 0.910 273 Q CB 1.377 30.034 28.738 -0.134 0.000 1.276 273 Q HN 0.316 nan 8.270 nan 0.000 0.489 274 S N 1.294 116.969 115.700 -0.041 0.000 2.541 274 S HA 0.461 4.929 4.470 -0.002 0.000 0.283 274 S C -0.423 174.169 174.600 -0.012 0.000 1.196 274 S CA -0.525 57.672 58.200 -0.005 0.000 1.062 274 S CB 1.158 64.366 63.200 0.012 0.000 1.009 274 S HN 0.736 nan 8.310 nan 0.000 0.502 275 S N 1.038 116.761 115.700 0.039 0.000 2.568 275 S HA 0.899 5.368 4.470 -0.002 0.000 0.302 275 S C -0.804 173.879 174.600 0.139 0.000 1.082 275 S CA -0.948 57.312 58.200 0.100 0.000 1.009 275 S CB 1.772 65.065 63.200 0.156 0.000 1.069 275 S HN 0.928 nan 8.310 nan 0.000 0.500 276 A N 1.728 124.681 122.820 0.222 0.000 2.408 276 A HA 0.688 5.007 4.320 -0.002 0.000 0.295 276 A C -0.032 177.704 177.584 0.253 0.000 1.040 276 A CA -0.774 51.391 52.037 0.213 0.000 0.707 276 A CB 0.941 20.076 19.000 0.225 0.000 1.235 276 A HN 0.800 nan 8.150 nan 0.000 0.418 277 T N 3.417 118.095 114.554 0.208 0.000 2.940 277 T HA 0.349 4.697 4.350 -0.002 0.000 0.309 277 T C 0.549 175.379 174.700 0.217 0.000 1.056 277 T CA 0.774 62.996 62.100 0.203 0.000 1.137 277 T CB -0.014 68.957 68.868 0.172 0.000 0.976 277 T HN 0.591 nan 8.240 nan 0.000 0.547 278 M N 1.400 121.118 119.600 0.197 0.000 2.649 278 M HA 0.275 4.753 4.480 -0.002 0.000 0.294 278 M C 1.920 178.312 176.300 0.154 0.000 1.206 278 M CA -0.727 54.683 55.300 0.184 0.000 0.928 278 M CB 1.173 33.871 32.600 0.164 0.000 1.571 278 M HN 0.708 nan 8.290 nan 0.000 0.501 279 S N -0.493 115.285 115.700 0.132 0.000 2.442 279 S HA -0.150 4.318 4.470 -0.002 0.000 0.236 279 S C 0.844 175.484 174.600 0.067 0.000 1.007 279 S CA 1.571 59.826 58.200 0.091 0.000 0.965 279 S CB -0.651 62.575 63.200 0.044 0.000 0.773 279 S HN 0.824 nan 8.310 nan 0.000 0.504 280 D N -0.399 120.040 120.400 0.065 0.000 2.363 280 D HA 0.321 4.959 4.640 -0.002 0.000 0.214 280 D C 1.363 177.684 176.300 0.035 0.000 1.093 280 D CA 0.414 54.438 54.000 0.039 0.000 0.837 280 D CB -0.395 40.422 40.800 0.029 0.000 0.948 280 D HN 0.519 nan 8.370 nan 0.000 0.507 281 G N 0.346 109.183 108.800 0.062 0.000 2.199 281 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.254 281 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.254 281 G C 0.503 175.434 174.900 0.051 0.000 0.982 281 G CA 0.037 45.172 45.100 0.058 0.000 0.632 281 G HN 0.451 nan 8.290 nan 0.000 0.529 282 R N -0.596 119.929 120.500 0.041 0.000 2.652 282 R HA 0.570 4.909 4.340 -0.002 0.000 0.271 282 R C -0.178 176.200 176.300 0.130 0.000 1.129 282 R CA -0.086 56.028 56.100 0.023 0.000 1.200 282 R CB 0.941 31.240 30.300 -0.001 0.000 1.146 282 R HN 0.117 nan 8.270 nan 0.000 0.581 283 V N 2.054 122.063 119.914 0.159 0.000 2.487 283 V HA 0.268 4.387 4.120 -0.002 0.000 0.298 283 V C -0.897 175.401 176.094 0.341 0.000 1.028 283 V CA -0.662 61.788 62.300 0.251 0.000 0.860 283 V CB 1.367 33.345 31.823 0.257 0.000 0.991 283 V HN 0.488 nan 8.190 nan 0.000 0.427 284 F N 3.814 123.898 119.950 0.224 0.000 2.421 284 F HA 0.762 5.287 4.527 -0.003 0.000 0.337 284 F C 0.195 176.130 175.800 0.226 0.000 1.105 284 F CA 0.258 58.400 58.000 0.236 0.000 1.049 284 F CB 1.842 40.940 39.000 0.163 0.000 1.139 284 F HN 0.519 nan 8.300 nan 0.000 0.479 285 T N 6.860 121.073 114.554 -0.568 0.000 2.896 285 T HA 0.705 5.054 4.350 -0.002 0.000 0.297 285 T C -1.698 172.463 174.700 -0.898 0.000 1.108 285 T CA -0.572 61.209 62.100 -0.531 0.000 1.004 285 T CB 1.166 69.913 68.868 -0.202 0.000 1.159 285 T HN 0.730 nan 8.240 nan 0.000 0.499 286 I N 1.436 121.663 120.570 -0.570 0.000 2.908 286 I HA 0.607 4.775 4.170 -0.002 0.000 0.300 286 I C 0.235 176.187 176.117 -0.275 0.000 1.385 286 I CA 0.536 61.562 61.300 -0.456 0.000 1.004 286 I CB 1.614 39.310 38.000 -0.506 0.000 1.309 286 I HN 1.081 nan 8.210 nan 0.000 0.449 287 G N 3.609 112.276 108.800 -0.222 0.000 2.598 287 G HA2 0.290 4.248 3.960 -0.002 0.000 0.244 287 G HA3 0.290 4.248 3.960 -0.002 0.000 0.244 287 G C 0.490 175.266 174.900 -0.208 0.000 1.302 287 G CA -0.095 44.892 45.100 -0.189 0.000 0.903 287 G HN 2.392 nan 8.290 nan 0.000 0.575 288 G N -3.062 105.623 108.800 -0.191 0.000 2.683 288 G HA2 0.201 4.160 3.960 -0.002 0.000 0.234 288 G HA3 0.201 4.160 3.960 -0.002 0.000 0.234 288 G C 0.573 175.351 174.900 -0.204 0.000 1.135 288 G CA 0.772 45.769 45.100 -0.172 0.000 0.975 288 G HN 1.840 nan 8.290 nan 0.000 0.511 289 S N -0.960 114.607 115.700 -0.221 0.000 2.631 289 S HA 0.095 4.564 4.470 -0.002 0.000 0.217 289 S C 1.549 176.038 174.600 -0.184 0.000 0.958 289 S CA 0.663 58.725 58.200 -0.231 0.000 0.920 289 S CB -0.158 62.925 63.200 -0.195 0.000 0.776 289 S HN 0.709 nan 8.310 nan 0.000 0.517 290 W N 3.537 124.554 121.300 -0.471 0.000 2.374 290 W HA -0.066 4.593 4.660 -0.001 0.000 0.288 290 W C 0.859 177.231 176.519 -0.245 0.000 1.218 290 W CA 1.328 58.296 57.345 -0.629 0.000 1.245 290 W CB 0.068 28.778 29.460 -1.251 0.000 1.126 290 W HN 0.302 nan 8.180 nan 0.000 0.545 291 S N -2.615 113.020 115.700 -0.108 0.000 2.607 291 S HA 0.598 5.067 4.470 -0.002 0.000 0.273 291 S C 0.429 174.970 174.600 -0.099 0.000 1.148 291 S CA -0.282 57.820 58.200 -0.163 0.000 0.833 291 S CB 1.271 64.454 63.200 -0.028 0.000 1.130 291 S HN 0.877 nan 8.310 nan 0.000 0.470 292 G N -0.433 108.324 108.800 -0.073 0.000 2.179 292 G HA2 0.345 4.303 3.960 -0.002 0.000 0.260 292 G HA3 0.345 4.303 3.960 -0.002 0.000 0.260 292 G C 1.203 176.137 174.900 0.057 0.000 0.977 292 G CA 0.389 45.479 45.100 -0.017 0.000 0.641 292 G HN 2.682 nan 8.290 nan 0.000 0.533 293 G N -2.615 106.180 108.800 -0.009 0.000 2.428 293 G HA2 0.410 4.369 3.960 -0.002 0.000 0.681 293 G HA3 0.410 4.369 3.960 -0.002 0.000 0.681 293 G C -0.803 174.026 174.900 -0.119 0.000 1.340 293 G CA -0.006 45.156 45.100 0.102 0.000 0.915 293 G HN 1.438 nan 8.290 nan 0.000 0.645 294 V N 2.173 122.107 119.914 0.033 0.000 2.293 294 V HA 0.810 4.928 4.120 -0.002 0.000 0.275 294 V C 0.110 176.261 176.094 0.096 0.000 1.021 294 V CA 0.259 62.533 62.300 -0.043 0.000 0.815 294 V CB -0.558 31.279 31.823 0.023 0.000 1.025 294 V HN 1.337 nan 8.190 nan 0.000 0.448 295 F N 0.875 120.817 119.950 -0.013 0.000 2.877 295 F HA 0.581 5.107 4.527 -0.002 0.000 0.319 295 F C -0.440 175.352 175.800 -0.014 0.000 1.174 295 F CA -1.403 56.589 58.000 -0.013 0.000 0.903 295 F CB 1.200 40.189 39.000 -0.019 0.000 1.357 295 F HN 0.151 nan 8.300 nan 0.000 0.472 296 E N 1.672 122.026 120.200 0.258 0.000 2.220 296 E HA 0.166 4.515 4.350 -0.002 0.000 0.272 296 E C -1.062 175.636 176.600 0.164 0.000 1.099 296 E CA -0.185 56.293 56.400 0.131 0.000 0.907 296 E CB 0.680 30.449 29.700 0.116 0.000 1.022 296 E HN 0.381 nan 8.360 nan 0.000 0.428 297 K N 3.830 124.217 120.400 -0.023 0.000 2.354 297 K HA 0.249 4.568 4.320 -0.002 0.000 0.257 297 K C -0.221 176.351 176.600 -0.047 0.000 1.062 297 K CA -0.580 55.676 56.287 -0.050 0.000 0.971 297 K CB 0.669 33.023 32.500 -0.244 0.000 1.305 297 K HN 0.333 nan 8.250 nan 0.000 0.449 298 N N 0.758 119.469 118.700 0.019 0.000 2.322 298 N HA 0.106 4.844 4.740 -0.002 0.000 0.270 298 N C 0.636 176.118 175.510 -0.047 0.000 1.286 298 N CA -0.144 52.922 53.050 0.026 0.000 0.948 298 N CB 0.421 38.965 38.487 0.095 0.000 1.164 298 N HN 0.546 nan 8.380 nan 0.000 0.551 299 G N -0.925 107.869 108.800 -0.010 0.000 2.606 299 G HA2 0.364 4.322 3.960 -0.002 0.000 0.252 299 G HA3 0.364 4.322 3.960 -0.002 0.000 0.252 299 G C -0.295 174.567 174.900 -0.064 0.000 1.206 299 G CA -0.135 44.862 45.100 -0.171 0.000 0.861 299 G HN 0.676 nan 8.290 nan 0.000 0.561 300 E N -1.994 118.113 120.200 -0.155 0.000 2.430 300 E HA 0.591 4.940 4.350 -0.002 0.000 0.279 300 E C -1.966 174.835 176.600 0.335 0.000 1.003 300 E CA -1.055 55.429 56.400 0.141 0.000 0.801 300 E CB 2.261 32.049 29.700 0.147 0.000 1.313 300 E HN 0.586 nan 8.360 nan 0.000 0.459 301 V N 1.709 121.911 119.914 0.480 0.000 2.638 301 V HA 0.450 4.569 4.120 -0.002 0.000 0.306 301 V C -1.935 174.225 176.094 0.111 0.000 1.052 301 V CA -0.615 61.910 62.300 0.375 0.000 0.885 301 V CB 1.618 33.626 31.823 0.308 0.000 0.999 301 V HN 0.734 nan 8.190 nan 0.000 0.424 302 Y N 5.089 125.071 120.300 -0.530 0.000 2.330 302 Y HA 0.693 5.241 4.550 -0.003 0.000 0.336 302 Y C 0.185 175.815 175.900 -0.451 0.000 1.036 302 Y CA -0.072 57.401 58.100 -1.045 0.000 1.125 302 Y CB 1.855 39.205 38.460 -1.850 0.000 1.194 302 Y HN 0.672 nan 8.280 nan 0.000 0.469 303 S N 7.992 123.112 115.700 -0.967 0.000 2.438 303 S HA 0.404 4.872 4.470 -0.002 0.000 0.316 303 S C -2.095 171.823 174.600 -1.136 0.000 1.084 303 S CA -1.796 55.939 58.200 -0.774 0.000 1.107 303 S CB 1.133 64.102 63.200 -0.385 0.000 0.981 303 S HN 0.640 nan 8.310 nan 0.000 0.466 304 P HA -0.083 nan 4.420 nan 0.000 0.220 304 P C 1.428 178.565 177.300 -0.272 0.000 1.148 304 P CA 0.919 63.713 63.100 -0.509 0.000 0.803 304 P CB 0.047 31.634 31.700 -0.188 0.000 0.782 305 S N -0.733 114.821 115.700 -0.244 0.000 2.371 305 S HA -0.079 4.390 4.470 -0.002 0.000 0.221 305 S C 2.028 176.553 174.600 -0.126 0.000 1.036 305 S CA 1.287 59.402 58.200 -0.141 0.000 0.965 305 S CB -1.448 61.688 63.200 -0.106 0.000 0.845 305 S HN 0.224 nan 8.310 nan 0.000 0.475 306 S N 1.328 116.935 115.700 -0.156 0.000 2.528 306 S HA 0.219 4.687 4.470 -0.002 0.000 0.219 306 S C 0.439 174.979 174.600 -0.099 0.000 0.985 306 S CA -0.026 58.111 58.200 -0.106 0.000 0.914 306 S CB -0.746 62.403 63.200 -0.085 0.000 0.776 306 S HN 0.571 nan 8.310 nan 0.000 0.526 307 K N 1.631 121.927 120.400 -0.174 0.000 3.150 307 K HA -0.134 4.184 4.320 -0.002 0.000 0.267 307 K C -0.338 176.261 176.600 -0.002 0.000 1.028 307 K CA 0.905 57.149 56.287 -0.073 0.000 0.753 307 K CB -2.908 29.609 32.500 0.028 0.000 1.288 307 K HN 0.771 nan 8.250 nan 0.000 0.473 308 T N -3.211 111.282 114.554 -0.102 0.000 2.906 308 T HA 0.624 4.973 4.350 -0.002 0.000 0.295 308 T C -0.701 173.992 174.700 -0.013 0.000 1.061 308 T CA -0.911 61.199 62.100 0.017 0.000 1.000 308 T CB 1.294 70.171 68.868 0.015 0.000 1.103 308 T HN 0.306 nan 8.240 nan 0.000 0.486 309 W N 1.254 122.653 121.300 0.166 0.000 2.433 309 W HA 0.560 5.218 4.660 -0.003 0.000 0.315 309 W C -0.107 176.470 176.519 0.097 0.000 1.087 309 W CA -0.400 57.039 57.345 0.157 0.000 1.205 309 W CB 2.006 31.546 29.460 0.134 0.000 1.288 309 W HN 0.661 nan 8.180 nan 0.000 0.504 310 T N 2.316 117.071 114.554 0.334 0.000 2.792 310 T HA 0.214 4.562 4.350 -0.002 0.000 0.280 310 T C -0.187 174.654 174.700 0.235 0.000 0.990 310 T CA -0.676 61.559 62.100 0.226 0.000 0.960 310 T CB 1.499 70.456 68.868 0.148 0.000 0.939 310 T HN 0.292 nan 8.240 nan 0.000 0.439 311 S N 2.736 118.542 115.700 0.178 0.000 2.549 311 S HA 0.273 4.741 4.470 -0.002 0.000 0.283 311 S C 0.026 174.720 174.600 0.158 0.000 1.320 311 S CA -0.486 57.802 58.200 0.147 0.000 1.058 311 S CB -0.225 63.039 63.200 0.106 0.000 0.882 311 S HN 0.556 nan 8.310 nan 0.000 0.498 312 L N 7.833 129.159 121.223 0.172 0.000 2.599 312 L HA 0.331 4.669 4.340 -0.002 0.000 0.241 312 L C -1.561 175.420 176.870 0.185 0.000 1.207 312 L CA -1.527 53.436 54.840 0.206 0.000 0.987 312 L CB 1.203 43.449 42.059 0.311 0.000 1.318 312 L HN 0.552 nan 8.230 nan 0.000 0.458 313 P HA -0.083 nan 4.420 nan 0.000 0.226 313 P C 0.617 178.001 177.300 0.141 0.000 1.153 313 P CA 1.024 64.199 63.100 0.124 0.000 0.777 313 P CB 0.338 32.096 31.700 0.096 0.000 0.794 314 N N 0.030 118.825 118.700 0.158 0.000 2.412 314 N HA 0.058 4.797 4.740 -0.002 0.000 0.184 314 N C 0.741 176.390 175.510 0.232 0.000 1.101 314 N CA 0.166 53.314 53.050 0.164 0.000 0.881 314 N CB -0.200 38.366 38.487 0.131 0.000 0.969 314 N HN 0.063 nan 8.380 nan 0.000 0.459 315 A N 1.850 124.852 122.820 0.304 0.000 2.906 315 A HA 0.099 4.418 4.320 -0.002 0.000 0.289 315 A C 0.192 178.032 177.584 0.428 0.000 1.675 315 A CA -0.199 52.120 52.037 0.471 0.000 1.372 315 A CB -0.209 19.139 19.000 0.580 0.000 1.091 315 A HN -0.134 nan 8.150 nan 0.000 0.579 316 K N 1.521 122.158 120.400 0.394 0.000 2.322 316 K HA 0.091 4.409 4.320 -0.002 0.000 0.283 316 K C 1.125 177.919 176.600 0.324 0.000 1.042 316 K CA -0.252 56.200 56.287 0.275 0.000 0.958 316 K CB 1.733 34.347 32.500 0.190 0.000 0.984 316 K HN 0.288 nan 8.250 nan 0.000 0.473 317 V N 3.658 123.681 119.914 0.182 0.000 2.667 317 V HA -0.205 3.914 4.120 -0.002 0.000 0.252 317 V C 2.102 178.268 176.094 0.120 0.000 1.065 317 V CA 1.518 63.896 62.300 0.129 0.000 1.083 317 V CB -0.411 31.424 31.823 0.021 0.000 0.692 317 V HN 0.758 nan 8.190 nan 0.000 0.468 318 N N 0.832 119.594 118.700 0.103 0.000 2.037 318 N HA -0.163 4.575 4.740 -0.002 0.000 0.196 318 N C -0.508 175.035 175.510 0.055 0.000 1.034 318 N CA 2.375 55.465 53.050 0.067 0.000 0.861 318 N CB -1.070 37.453 38.487 0.061 0.000 1.039 318 N HN 0.403 nan 8.380 nan 0.000 0.427 319 P HA -0.092 nan 4.420 nan 0.000 0.225 319 P C 1.195 178.499 177.300 0.006 0.000 1.148 319 P CA 1.163 64.279 63.100 0.027 0.000 0.779 319 P CB -0.192 31.513 31.700 0.009 0.000 0.780 320 M N -3.698 115.931 119.600 0.048 0.000 2.371 320 M HA 0.195 4.673 4.480 -0.002 0.000 0.246 320 M C 0.033 176.303 176.300 -0.049 0.000 1.103 320 M CA 0.283 55.580 55.300 -0.005 0.000 1.010 320 M CB -0.343 32.299 32.600 0.069 0.000 1.457 320 M HN -0.281 nan 8.290 nan 0.000 0.486 321 L N 2.995 124.202 121.223 -0.026 0.000 2.410 321 L HA 0.219 4.557 4.340 -0.002 0.000 0.273 321 L C 1.016 177.854 176.870 -0.054 0.000 1.152 321 L CA -0.340 54.478 54.840 -0.037 0.000 0.855 321 L CB 0.686 42.737 42.059 -0.014 0.000 1.129 321 L HN 0.421 nan 8.230 nan 0.000 0.463 322 T N -0.098 114.419 114.554 -0.062 0.000 2.754 322 T HA 0.343 4.691 4.350 -0.002 0.000 0.286 322 T C 0.710 175.396 174.700 -0.025 0.000 0.997 322 T CA -0.269 61.796 62.100 -0.058 0.000 0.982 322 T CB 1.207 70.040 68.868 -0.057 0.000 1.027 322 T HN 0.651 nan 8.240 nan 0.000 0.529 323 A N 0.263 123.072 122.820 -0.018 0.000 2.640 323 A HA 0.226 4.545 4.320 -0.002 0.000 0.282 323 A C 0.655 178.247 177.584 0.014 0.000 1.357 323 A CA -0.501 51.535 52.037 -0.002 0.000 0.946 323 A CB -0.929 18.067 19.000 -0.005 0.000 1.065 323 A HN 0.913 nan 8.150 nan 0.000 0.541 324 D N 0.723 121.138 120.400 0.025 0.000 2.583 324 D HA -0.044 4.594 4.640 -0.002 0.000 0.232 324 D C 0.832 177.164 176.300 0.053 0.000 1.128 324 D CA 0.570 54.601 54.000 0.053 0.000 0.859 324 D CB 0.679 41.529 40.800 0.082 0.000 1.169 324 D HN 0.337 nan 8.370 nan 0.000 0.481 325 K N 2.182 122.616 120.400 0.057 0.000 2.211 325 K HA -0.180 4.139 4.320 -0.002 0.000 0.204 325 K C 1.722 178.357 176.600 0.058 0.000 1.047 325 K CA 1.079 57.396 56.287 0.050 0.000 0.935 325 K CB 0.138 32.667 32.500 0.049 0.000 0.728 325 K HN 0.523 nan 8.250 nan 0.000 0.452 326 Q N -0.365 119.486 119.800 0.085 0.000 2.451 326 Q HA 0.055 4.394 4.340 -0.002 0.000 0.206 326 Q C 0.757 176.815 176.000 0.097 0.000 0.947 326 Q CA 0.270 56.134 55.803 0.100 0.000 0.937 326 Q CB 0.553 29.390 28.738 0.166 0.000 1.025 326 Q HN 0.421 nan 8.270 nan 0.000 0.511 327 G N 0.938 109.784 108.800 0.077 0.000 2.553 327 G HA2 -0.335 3.623 3.960 -0.002 0.000 0.242 327 G HA3 -0.335 3.623 3.960 -0.002 0.000 0.242 327 G C 0.194 175.135 174.900 0.068 0.000 1.277 327 G CA -0.110 45.026 45.100 0.061 0.000 0.910 327 G HN 0.224 nan 8.290 nan 0.000 0.576 328 L N -0.379 120.876 121.223 0.054 0.000 2.191 328 L HA 0.058 4.396 4.340 -0.002 0.000 0.212 328 L C 2.506 179.399 176.870 0.038 0.000 1.103 328 L CA 2.817 57.675 54.840 0.030 0.000 0.769 328 L CB -1.042 41.028 42.059 0.018 0.000 0.908 328 L HN 0.738 nan 8.230 nan 0.000 0.438 329 Y N 0.303 120.562 120.300 -0.067 0.000 2.132 329 Y HA -0.319 4.230 4.550 -0.002 0.000 0.280 329 Y C 2.323 178.180 175.900 -0.072 0.000 1.193 329 Y CA 2.063 60.108 58.100 -0.092 0.000 1.157 329 Y CB -0.040 38.365 38.460 -0.091 0.000 0.966 329 Y HN 0.164 nan 8.280 nan 0.000 0.511 330 R N -0.952 119.506 120.500 -0.071 0.000 2.195 330 R HA 0.093 4.431 4.340 -0.002 0.000 0.197 330 R C 2.468 178.764 176.300 -0.006 0.000 0.990 330 R CA 1.000 57.044 56.100 -0.093 0.000 1.048 330 R CB -1.102 29.240 30.300 0.070 0.000 0.997 330 R HN 0.464 nan 8.270 nan 0.000 0.502 331 S N 1.662 117.361 115.700 -0.001 0.000 2.481 331 S HA -0.107 4.362 4.470 -0.002 0.000 0.231 331 S C 1.018 175.592 174.600 -0.043 0.000 0.996 331 S CA 1.256 59.453 58.200 -0.005 0.000 0.942 331 S CB -0.155 63.045 63.200 0.000 0.000 0.768 331 S HN 0.302 nan 8.310 nan 0.000 0.520 332 D N 0.401 120.758 120.400 -0.072 0.000 2.368 332 D HA 0.168 4.807 4.640 -0.002 0.000 0.218 332 D C -0.380 175.844 176.300 -0.127 0.000 1.112 332 D CA -0.522 53.420 54.000 -0.097 0.000 0.834 332 D CB -0.690 40.044 40.800 -0.109 0.000 0.953 332 D HN 0.159 nan 8.370 nan 0.000 0.505 333 N N 1.135 119.756 118.700 -0.132 0.000 2.513 333 N HA 0.094 4.833 4.740 -0.002 0.000 0.274 333 N C 0.034 175.445 175.510 -0.165 0.000 1.189 333 N CA -0.136 52.763 53.050 -0.251 0.000 0.975 333 N CB 0.127 38.420 38.487 -0.323 0.000 1.157 333 N HN 0.073 nan 8.380 nan 0.000 0.465 334 H N -2.000 117.079 119.070 0.015 0.000 2.626 334 H HA -0.174 4.381 4.556 -0.002 0.000 0.317 334 H C -0.043 175.305 175.328 0.034 0.000 1.140 334 H CA 0.498 56.551 56.048 0.008 0.000 1.134 334 H CB -1.970 27.812 29.762 0.033 0.000 1.486 334 H HN 0.643 nan 8.280 nan 0.000 0.417 335 A N 0.107 122.957 122.820 0.049 0.000 2.520 335 A HA 0.124 4.442 4.320 -0.002 0.000 0.235 335 A C 0.388 178.050 177.584 0.129 0.000 1.065 335 A CA -0.040 51.988 52.037 -0.014 0.000 0.764 335 A CB 0.232 19.200 19.000 -0.052 0.000 1.002 335 A HN 0.405 nan 8.150 nan 0.000 0.502 336 W N 3.197 124.432 121.300 -0.109 0.000 1.864 336 W HA 0.420 5.080 4.660 -0.001 0.000 0.425 336 W C -0.546 175.824 176.519 -0.248 0.000 0.791 336 W CA -0.664 56.579 57.345 -0.171 0.000 1.650 336 W CB -1.013 28.425 29.460 -0.037 0.000 1.791 336 W HN 0.335 nan 8.180 nan 0.000 0.266 337 L N 2.385 123.512 121.223 -0.160 0.000 2.334 337 L HA 0.575 4.914 4.340 -0.002 0.000 0.277 337 L C -0.538 176.088 176.870 -0.408 0.000 1.075 337 L CA -0.615 54.157 54.840 -0.114 0.000 0.804 337 L CB 0.701 42.781 42.059 0.035 0.000 1.174 337 L HN -0.086 nan 8.230 nan 0.000 0.438 338 F N 0.107 120.179 119.950 0.202 0.000 2.562 338 F HA 0.413 4.938 4.527 -0.003 0.000 0.319 338 F C 0.794 176.766 175.800 0.287 0.000 1.154 338 F CA -0.731 57.403 58.000 0.222 0.000 0.931 338 F CB 1.730 40.842 39.000 0.186 0.000 1.198 338 F HN 0.465 nan 8.300 nan 0.000 0.444 339 G N 2.752 111.811 108.800 0.431 0.000 2.353 339 G HA2 0.119 4.078 3.960 -0.002 0.000 0.239 339 G HA3 0.119 4.078 3.960 -0.002 0.000 0.239 339 G C -0.803 174.451 174.900 0.590 0.000 1.295 339 G CA -0.107 45.241 45.100 0.413 0.000 0.884 339 G HN 0.747 nan 8.290 nan 0.000 0.537 340 W N 1.339 122.783 121.300 0.240 0.000 3.483 340 W HA 0.423 5.081 4.660 -0.004 0.000 0.378 340 W C -0.312 176.298 176.519 0.152 0.000 1.097 340 W CA -0.915 56.568 57.345 0.231 0.000 1.075 340 W CB 1.104 30.779 29.460 0.358 0.000 1.534 340 W HN 0.348 nan 8.180 nan 0.000 0.610 341 K N 2.138 122.291 120.400 -0.412 0.000 2.436 341 K HA -0.015 4.304 4.320 -0.002 0.000 0.275 341 K C -0.132 176.418 176.600 -0.084 0.000 0.999 341 K CA 0.705 56.774 56.287 -0.363 0.000 0.980 341 K CB 0.158 32.345 32.500 -0.521 0.000 0.919 341 K HN 0.297 nan 8.250 nan 0.000 0.484 342 K N 0.949 121.311 120.400 -0.063 0.000 3.150 342 K HA -0.257 4.062 4.320 -0.002 0.000 0.267 342 K C 0.599 177.229 176.600 0.050 0.000 1.028 342 K CA 0.373 56.657 56.287 -0.005 0.000 0.753 342 K CB -2.045 30.450 32.500 -0.008 0.000 1.288 342 K HN 1.169 nan 8.250 nan 0.000 0.473 343 G N -0.450 108.388 108.800 0.062 0.000 2.189 343 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.267 343 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.267 343 G C 0.202 175.155 174.900 0.088 0.000 0.975 343 G CA 0.598 45.750 45.100 0.086 0.000 0.644 343 G HN 0.983 nan 8.290 nan 0.000 0.537 344 S N -1.175 114.590 115.700 0.108 0.000 2.614 344 S HA 0.713 5.181 4.470 -0.002 0.000 0.265 344 S C -0.073 174.646 174.600 0.198 0.000 1.303 344 S CA -0.034 58.222 58.200 0.094 0.000 1.000 344 S CB 2.538 65.803 63.200 0.108 0.000 0.935 344 S HN 1.133 nan 8.310 nan 0.000 0.551 345 V N 2.348 122.352 119.914 0.150 0.000 2.569 345 V HA 0.435 4.554 4.120 -0.002 0.000 0.301 345 V C -0.923 175.336 176.094 0.276 0.000 1.044 345 V CA -0.713 61.706 62.300 0.200 0.000 0.874 345 V CB 1.265 33.044 31.823 -0.073 0.000 1.002 345 V HN 0.894 nan 8.190 nan 0.000 0.424 346 F N 4.270 124.295 119.950 0.124 0.000 2.396 346 F HA 0.504 5.029 4.527 -0.003 0.000 0.343 346 F C 0.262 176.061 175.800 -0.002 0.000 1.104 346 F CA 0.064 57.931 58.000 -0.222 0.000 1.161 346 F CB 1.224 39.909 39.000 -0.525 0.000 1.146 346 F HN 0.521 nan 8.300 nan 0.000 0.522 347 Q N 5.734 125.016 119.800 -0.863 0.000 2.381 347 Q HA 0.455 4.793 4.340 -0.002 0.000 0.263 347 Q C -0.601 174.852 176.000 -0.912 0.000 1.030 347 Q CA -0.267 55.227 55.803 -0.515 0.000 0.772 347 Q CB 1.669 30.333 28.738 -0.123 0.000 1.232 347 Q HN 0.940 nan 8.270 nan 0.000 0.476 348 A N 2.770 125.366 122.820 -0.375 0.000 2.195 348 A HA 0.527 4.846 4.320 -0.002 0.000 0.210 348 A C 0.757 178.287 177.584 -0.091 0.000 1.165 348 A CA 0.969 52.979 52.037 -0.044 0.000 0.806 348 A CB 0.270 19.646 19.000 0.626 0.000 0.847 348 A HN 0.854 nan 8.150 nan 0.000 0.482 349 G N -1.579 106.928 108.800 -0.487 0.000 2.344 349 G HA2 0.290 4.249 3.960 -0.002 0.000 0.282 349 G HA3 0.290 4.249 3.960 -0.002 0.000 0.282 349 G C -2.639 171.396 174.900 -1.442 0.000 1.281 349 G CA 0.158 44.508 45.100 -1.250 0.000 0.877 349 G HN -0.181 nan 8.290 nan 0.000 0.494 350 P HA 0.048 nan 4.420 nan 0.000 0.226 350 P C 1.219 178.073 177.300 -0.743 0.000 1.153 350 P CA 1.265 63.508 63.100 -1.428 0.000 0.777 350 P CB -0.172 31.195 31.700 -0.556 0.000 0.794 351 S N -0.808 114.583 115.700 -0.515 0.000 2.563 351 S HA 0.020 4.488 4.470 -0.002 0.000 0.284 351 S C 1.366 175.786 174.600 -0.300 0.000 1.331 351 S CA 0.062 58.078 58.200 -0.307 0.000 1.047 351 S CB -0.231 62.838 63.200 -0.217 0.000 0.859 351 S HN 0.016 nan 8.310 nan 0.000 0.514 352 T N 2.296 116.736 114.554 -0.190 0.000 2.653 352 T HA -0.089 4.259 4.350 -0.002 0.000 0.268 352 T C 1.042 175.653 174.700 -0.148 0.000 1.035 352 T CA 1.651 63.663 62.100 -0.145 0.000 1.154 352 T CB -0.748 68.068 68.868 -0.087 0.000 0.862 352 T HN 1.027 nan 8.240 nan 0.000 0.441 353 A N 1.927 124.663 122.820 -0.140 0.000 2.451 353 A HA 0.529 4.847 4.320 -0.002 0.000 0.266 353 A C 0.212 177.678 177.584 -0.197 0.000 1.119 353 A CA -0.142 51.817 52.037 -0.131 0.000 0.786 353 A CB -0.221 18.719 19.000 -0.099 0.000 1.061 353 A HN 0.430 nan 8.150 nan 0.000 0.503 354 M N 2.905 122.384 119.600 -0.202 0.000 2.342 354 M HA 0.351 4.830 4.480 -0.002 0.000 0.332 354 M C -0.147 175.928 176.300 -0.374 0.000 1.166 354 M CA -0.179 54.913 55.300 -0.346 0.000 1.086 354 M CB 1.066 33.502 32.600 -0.273 0.000 1.541 354 M HN 0.703 nan 8.290 nan 0.000 0.462 355 N N 0.777 119.117 118.700 -0.601 0.000 2.277 355 N HA 0.373 5.112 4.740 -0.002 0.000 0.286 355 N C -2.084 173.021 175.510 -0.674 0.000 1.140 355 N CA -0.512 52.233 53.050 -0.508 0.000 0.799 355 N CB 1.839 40.045 38.487 -0.469 0.000 1.596 355 N HN 0.597 nan 8.380 nan 0.000 0.473 356 W N 1.159 122.289 121.300 -0.283 0.000 2.338 356 W HA 0.385 5.044 4.660 -0.003 0.000 0.307 356 W C -0.337 175.834 176.519 -0.580 0.000 1.167 356 W CA -0.423 56.738 57.345 -0.307 0.000 1.208 356 W CB 0.566 29.890 29.460 -0.226 0.000 1.228 356 W HN 0.370 nan 8.180 nan 0.000 0.499 357 Y N 2.457 122.698 120.300 -0.098 0.000 2.360 357 Y HA 0.404 4.952 4.550 -0.003 0.000 0.337 357 Y C -0.519 175.171 175.900 -0.350 0.000 1.039 357 Y CA -1.047 56.953 58.100 -0.167 0.000 1.109 357 Y CB 0.995 39.275 38.460 -0.300 0.000 1.201 357 Y HN 0.259 nan 8.280 nan 0.000 0.458 358 Y N -0.167 120.218 120.300 0.143 0.000 2.446 358 Y HA 0.336 4.885 4.550 -0.002 0.000 0.345 358 Y C 0.836 176.785 175.900 0.083 0.000 0.984 358 Y CA -0.889 57.267 58.100 0.093 0.000 1.058 358 Y CB 2.138 40.652 38.460 0.090 0.000 1.220 358 Y HN 0.627 nan 8.280 nan 0.000 0.455 359 T N -3.376 111.301 114.554 0.206 0.000 3.044 359 T HA 0.124 4.472 4.350 -0.002 0.000 0.260 359 T C 0.317 175.124 174.700 0.177 0.000 1.019 359 T CA -0.204 62.007 62.100 0.186 0.000 0.921 359 T CB -0.286 68.669 68.868 0.144 0.000 1.053 359 T HN 0.484 nan 8.240 nan 0.000 0.533 360 S N 0.854 116.654 115.700 0.167 0.000 2.585 360 S HA 0.594 5.063 4.470 -0.002 0.000 0.273 360 S C 1.312 175.981 174.600 0.115 0.000 1.339 360 S CA -0.098 58.175 58.200 0.120 0.000 1.028 360 S CB 0.386 63.643 63.200 0.094 0.000 0.906 360 S HN 1.175 nan 8.310 nan 0.000 0.528 361 G N 2.082 110.937 108.800 0.091 0.000 2.596 361 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.295 361 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.295 361 G C 0.627 175.593 174.900 0.110 0.000 1.240 361 G CA 0.193 45.343 45.100 0.084 0.000 0.985 361 G HN 1.307 nan 8.290 nan 0.000 0.555 362 S N 1.963 117.728 115.700 0.108 0.000 2.660 362 S HA 0.489 4.957 4.470 -0.002 0.000 0.227 362 S C 1.017 175.717 174.600 0.166 0.000 0.948 362 S CA 1.457 59.733 58.200 0.127 0.000 0.948 362 S CB -0.540 62.721 63.200 0.101 0.000 0.779 362 S HN 2.392 nan 8.310 nan 0.000 0.487 363 G N 1.211 110.123 108.800 0.185 0.000 2.746 363 G HA2 0.030 3.989 3.960 -0.002 0.000 0.685 363 G HA3 0.030 3.989 3.960 -0.002 0.000 0.685 363 G C -1.297 173.744 174.900 0.235 0.000 1.350 363 G CA -0.516 44.735 45.100 0.252 0.000 0.837 363 G HN 0.328 nan 8.290 nan 0.000 0.564 364 D N -2.066 118.522 120.400 0.313 0.000 2.665 364 D HA 0.716 5.355 4.640 -0.002 0.000 0.287 364 D C -1.203 175.331 176.300 0.390 0.000 1.266 364 D CA 0.481 54.644 54.000 0.271 0.000 0.830 364 D CB 2.131 42.993 40.800 0.103 0.000 1.356 364 D HN 1.290 nan 8.370 nan 0.000 0.437 365 V N 1.043 121.109 119.914 0.252 0.000 2.851 365 V HA 0.622 4.741 4.120 -0.002 0.000 0.307 365 V C -1.703 174.464 176.094 0.121 0.000 1.129 365 V CA -0.513 61.830 62.300 0.070 0.000 0.932 365 V CB 1.839 33.600 31.823 -0.104 0.000 1.024 365 V HN 0.563 nan 8.190 nan 0.000 0.426 366 K N 3.997 124.509 120.400 0.187 0.000 2.443 366 K HA 0.588 4.907 4.320 -0.002 0.000 0.252 366 K C -0.398 176.296 176.600 0.156 0.000 0.933 366 K CA -0.485 55.935 56.287 0.222 0.000 0.792 366 K CB 2.065 34.799 32.500 0.389 0.000 1.185 366 K HN 0.742 nan 8.250 nan 0.000 0.425 367 S N 1.737 117.494 115.700 0.095 0.000 2.546 367 S HA 0.030 4.499 4.470 -0.002 0.000 0.290 367 S C 0.579 175.269 174.600 0.151 0.000 1.290 367 S CA 0.007 58.243 58.200 0.060 0.000 1.069 367 S CB 1.004 64.231 63.200 0.045 0.000 0.846 367 S HN 0.672 nan 8.310 nan 0.000 0.495 368 A N 2.870 125.736 122.820 0.077 0.000 2.535 368 A HA 0.633 4.952 4.320 -0.002 0.000 0.273 368 A C 0.998 178.643 177.584 0.101 0.000 1.267 368 A CA 0.204 52.334 52.037 0.155 0.000 0.940 368 A CB -0.793 18.215 19.000 0.012 0.000 1.101 368 A HN 1.549 nan 8.150 nan 0.000 0.521 369 G N 0.052 108.884 108.800 0.053 0.000 2.796 369 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.571 369 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.571 369 G C -0.569 174.328 174.900 -0.004 0.000 1.370 369 G CA -0.506 44.615 45.100 0.035 0.000 0.856 369 G HN 0.487 nan 8.290 nan 0.000 0.538 370 K N 0.050 120.446 120.400 -0.007 0.000 2.172 370 K HA 0.401 4.719 4.320 -0.002 0.000 0.276 370 K C 0.858 177.433 176.600 -0.042 0.000 1.013 370 K CA -0.723 55.543 56.287 -0.036 0.000 0.913 370 K CB 1.425 33.908 32.500 -0.027 0.000 1.055 370 K HN 0.616 nan 8.250 nan 0.000 0.461 371 R N 3.330 123.776 120.500 -0.089 0.000 2.458 371 R HA -0.064 4.274 4.340 -0.002 0.000 0.303 371 R C -0.379 175.805 176.300 -0.192 0.000 1.013 371 R CA 0.777 56.781 56.100 -0.160 0.000 1.026 371 R CB 0.243 30.417 30.300 -0.210 0.000 0.948 371 R HN 0.802 nan 8.270 nan 0.000 0.417 372 Q N 1.645 121.365 119.800 -0.134 0.000 2.841 372 Q HA 0.489 4.827 4.340 -0.002 0.000 0.309 372 Q C -1.716 174.420 176.000 0.228 0.000 0.868 372 Q CA -1.056 54.776 55.803 0.049 0.000 0.760 372 Q CB 1.502 30.269 28.738 0.048 0.000 1.454 372 Q HN 0.645 nan 8.270 nan 0.000 0.449 373 S N -0.738 115.108 115.700 0.243 0.000 2.683 373 S HA 0.298 4.766 4.470 -0.002 0.000 0.269 373 S C -0.280 174.388 174.600 0.113 0.000 1.165 373 S CA -0.088 58.246 58.200 0.224 0.000 0.840 373 S CB 0.184 63.591 63.200 0.345 0.000 1.169 373 S HN 0.906 nan 8.310 nan 0.000 0.490 374 N N 0.690 119.432 118.700 0.071 0.000 2.585 374 N HA -0.072 4.667 4.740 -0.002 0.000 0.188 374 N C 1.086 176.577 175.510 -0.032 0.000 1.102 374 N CA 0.738 53.798 53.050 0.017 0.000 0.920 374 N CB -0.584 37.908 38.487 0.009 0.000 0.963 374 N HN 0.593 nan 8.380 nan 0.000 0.447 375 R N -0.625 119.833 120.500 -0.069 0.000 2.275 375 R HA 0.259 4.598 4.340 -0.002 0.000 0.199 375 R C 0.566 176.829 176.300 -0.061 0.000 0.989 375 R CA 0.543 56.551 56.100 -0.154 0.000 1.016 375 R CB -0.020 30.026 30.300 -0.423 0.000 0.918 375 R HN 0.383 nan 8.270 nan 0.000 0.473 376 G N -0.087 108.721 108.800 0.014 0.000 2.353 376 G HA2 -0.155 3.803 3.960 -0.002 0.000 0.615 376 G HA3 -0.155 3.803 3.960 -0.002 0.000 0.615 376 G C -1.032 173.916 174.900 0.080 0.000 1.280 376 G CA -1.012 44.109 45.100 0.034 0.000 1.000 376 G HN -0.067 nan 8.290 nan 0.000 0.516 377 V N 1.260 121.206 119.914 0.053 0.000 2.555 377 V HA 0.514 4.633 4.120 -0.002 0.000 0.286 377 V C 1.363 177.495 176.094 0.064 0.000 1.044 377 V CA 0.402 62.729 62.300 0.045 0.000 1.026 377 V CB 0.881 32.714 31.823 0.017 0.000 0.981 377 V HN 1.881 nan 8.190 nan 0.000 0.480 378 A N 9.066 131.917 122.820 0.052 0.000 2.488 378 A HA 0.535 4.853 4.320 -0.002 0.000 0.249 378 A C -1.872 175.732 177.584 0.034 0.000 1.083 378 A CA -1.001 51.088 52.037 0.087 0.000 0.768 378 A CB -0.162 18.813 19.000 -0.042 0.000 1.017 378 A HN 0.682 nan 8.150 nan 0.000 0.496 379 P HA 0.134 nan 4.420 nan 0.000 0.274 379 P C -0.701 176.596 177.300 -0.006 0.000 1.256 379 P CA -0.518 62.593 63.100 0.019 0.000 0.795 379 P CB 0.421 32.139 31.700 0.031 0.000 1.038 380 D N 0.024 120.403 120.400 -0.035 0.000 2.571 380 D HA 0.143 4.782 4.640 -0.002 0.000 0.231 380 D C 0.309 176.591 176.300 -0.030 0.000 1.133 380 D CA 0.931 54.889 54.000 -0.070 0.000 0.862 380 D CB 0.002 40.766 40.800 -0.059 0.000 1.179 380 D HN 0.344 nan 8.370 nan 0.000 0.474 381 A N 2.989 125.783 122.820 -0.043 0.000 3.297 381 A HA 0.229 4.547 4.320 -0.002 0.000 0.304 381 A C 0.070 177.729 177.584 0.124 0.000 0.963 381 A CA -0.685 51.409 52.037 0.094 0.000 0.935 381 A CB 0.076 19.252 19.000 0.293 0.000 1.093 381 A HN 0.419 nan 8.150 nan 0.000 0.480 382 M N 0.590 120.201 119.600 0.018 0.000 2.260 382 M HA 0.204 4.683 4.480 -0.002 0.000 0.348 382 M C 0.854 177.142 176.300 -0.021 0.000 1.342 382 M CA 0.850 56.156 55.300 0.011 0.000 1.040 382 M CB -0.925 31.668 32.600 -0.013 0.000 1.810 382 M HN 0.903 nan 8.290 nan 0.000 0.453 383 C N 3.060 122.383 119.300 0.038 0.000 4.320 383 C HA -0.145 4.313 4.460 -0.002 0.000 0.281 383 C C 1.126 176.068 174.990 -0.081 0.000 1.432 383 C CA 0.390 59.369 59.018 -0.066 0.000 1.884 383 C CB -2.869 24.766 27.740 -0.175 0.000 1.378 383 C HN 1.206 nan 8.230 nan 0.000 0.771 384 G N 0.516 109.380 108.800 0.107 0.000 2.614 384 G HA2 0.391 4.350 3.960 -0.002 0.000 0.239 384 G HA3 0.391 4.350 3.960 -0.002 0.000 0.239 384 G C -0.221 174.315 174.900 -0.607 0.000 1.240 384 G CA -0.035 45.040 45.100 -0.042 0.000 0.842 384 G HN 0.720 nan 8.290 nan 0.000 0.584 385 N N -0.673 117.387 118.700 -1.066 0.000 2.443 385 N HA 0.603 5.341 4.740 -0.002 0.000 0.293 385 N C -0.574 174.011 175.510 -1.543 0.000 1.159 385 N CA -0.540 51.751 53.050 -1.265 0.000 0.904 385 N CB 1.932 39.675 38.487 -1.241 0.000 1.214 385 N HN 0.666 nan 8.380 nan 0.000 0.513 386 A N 1.174 123.401 122.820 -0.989 0.000 2.427 386 A HA 0.592 4.910 4.320 -0.002 0.000 0.298 386 A C -1.245 176.387 177.584 0.080 0.000 1.036 386 A CA -0.468 51.283 52.037 -0.476 0.000 0.701 386 A CB 1.185 20.019 19.000 -0.278 0.000 1.250 386 A HN 0.362 nan 8.150 nan 0.000 0.412 387 V N 3.284 123.336 119.914 0.230 0.000 2.569 387 V HA 0.407 4.525 4.120 -0.002 0.000 0.301 387 V C -0.159 176.076 176.094 0.235 0.000 1.044 387 V CA -0.250 62.242 62.300 0.320 0.000 0.874 387 V CB 1.863 33.896 31.823 0.350 0.000 1.002 387 V HN 0.982 nan 8.190 nan 0.000 0.424 388 M N 5.995 125.699 119.600 0.172 0.000 2.435 388 M HA 0.268 4.746 4.480 -0.002 0.000 0.344 388 M C 0.488 176.811 176.300 0.039 0.000 1.329 388 M CA -0.411 54.829 55.300 -0.099 0.000 1.320 388 M CB 0.050 32.538 32.600 -0.187 0.000 1.309 388 M HN 0.863 nan 8.290 nan 0.000 0.451 389 Y N 0.581 120.908 120.300 0.045 0.000 2.523 389 Y HA 0.339 4.887 4.550 -0.003 0.000 0.279 389 Y C -0.040 175.906 175.900 0.076 0.000 1.139 389 Y CA -0.319 57.828 58.100 0.079 0.000 1.296 389 Y CB 0.182 38.696 38.460 0.089 0.000 1.045 389 Y HN 0.474 nan 8.280 nan 0.000 0.538 390 D N 0.676 120.861 120.400 -0.358 0.000 2.328 390 D HA 0.366 5.004 4.640 -0.002 0.000 0.243 390 D C 0.493 176.730 176.300 -0.105 0.000 1.324 390 D CA -0.025 53.881 54.000 -0.157 0.000 0.966 390 D CB 1.409 42.109 40.800 -0.167 0.000 1.324 390 D HN 0.202 nan 8.370 nan 0.000 0.549 391 A N 2.423 125.279 122.820 0.059 0.000 2.014 391 A HA -0.015 4.304 4.320 -0.002 0.000 0.218 391 A C 2.058 179.780 177.584 0.229 0.000 1.163 391 A CA 0.986 53.139 52.037 0.193 0.000 0.652 391 A CB -0.075 19.114 19.000 0.315 0.000 0.808 391 A HN 0.430 nan 8.150 nan 0.000 0.449 392 V N 0.262 120.249 119.914 0.122 0.000 2.343 392 V HA -0.176 3.943 4.120 -0.002 0.000 0.247 392 V C 1.947 178.102 176.094 0.101 0.000 1.051 392 V CA 1.968 64.321 62.300 0.088 0.000 1.036 392 V CB -0.409 31.439 31.823 0.041 0.000 0.654 392 V HN 0.383 nan 8.190 nan 0.000 0.451 393 K N -0.225 120.210 120.400 0.058 0.000 2.387 393 K HA 0.284 4.603 4.320 -0.002 0.000 0.198 393 K C 1.354 177.960 176.600 0.010 0.000 1.022 393 K CA 0.672 56.980 56.287 0.034 0.000 1.128 393 K CB 0.168 32.664 32.500 -0.006 0.000 0.853 393 K HN 0.532 nan 8.250 nan 0.000 0.523 394 G N 2.397 111.227 108.800 0.051 0.000 2.198 394 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.260 394 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.260 394 G C -0.265 174.412 174.900 -0.372 0.000 1.025 394 G CA 0.095 45.106 45.100 -0.148 0.000 0.769 394 G HN 0.124 nan 8.290 nan 0.000 0.507 395 K N 0.152 120.313 120.400 -0.398 0.000 2.248 395 K HA 0.579 4.898 4.320 -0.002 0.000 0.281 395 K C 0.324 176.537 176.600 -0.645 0.000 1.054 395 K CA -0.328 55.630 56.287 -0.548 0.000 0.903 395 K CB 1.439 33.467 32.500 -0.787 0.000 1.077 395 K HN 0.350 nan 8.250 nan 0.000 0.474 396 I N 3.642 123.972 120.570 -0.400 0.000 2.436 396 I HA 0.226 4.395 4.170 -0.002 0.000 0.289 396 I C -0.589 175.559 176.117 0.053 0.000 1.010 396 I CA -1.183 59.958 61.300 -0.266 0.000 1.098 396 I CB 1.644 39.384 38.000 -0.434 0.000 1.266 396 I HN 0.264 nan 8.210 nan 0.000 0.434 397 L N 7.204 128.575 121.223 0.246 0.000 2.272 397 L HA 0.599 4.937 4.340 -0.002 0.000 0.289 397 L C 0.130 177.123 176.870 0.205 0.000 1.032 397 L CA 0.318 55.292 54.840 0.224 0.000 0.810 397 L CB 1.333 43.490 42.059 0.164 0.000 1.205 397 L HN 0.738 nan 8.230 nan 0.000 0.422 398 T N 1.833 116.463 114.554 0.126 0.000 2.885 398 T HA 0.863 5.211 4.350 -0.002 0.000 0.285 398 T C -0.668 174.044 174.700 0.020 0.000 1.019 398 T CA -0.566 61.432 62.100 -0.169 0.000 1.010 398 T CB 1.431 70.232 68.868 -0.112 0.000 1.022 398 T HN 0.520 nan 8.240 nan 0.000 0.466 399 F N -1.477 118.360 119.950 -0.187 0.000 2.690 399 F HA 0.739 5.264 4.527 -0.003 0.000 0.311 399 F C 0.302 176.105 175.800 0.006 0.000 1.111 399 F CA -0.337 57.608 58.000 -0.091 0.000 1.003 399 F CB 0.720 39.661 39.000 -0.098 0.000 1.283 399 F HN 1.237 nan 8.300 nan 0.000 0.442 400 G N 0.681 109.536 108.800 0.091 0.000 2.593 400 G HA2 0.469 4.428 3.960 -0.002 0.000 0.237 400 G HA3 0.469 4.428 3.960 -0.002 0.000 0.237 400 G C 0.400 175.348 174.900 0.080 0.000 1.312 400 G CA 0.533 45.630 45.100 -0.004 0.000 0.896 400 G HN 3.221 nan 8.290 nan 0.000 0.574 401 G N -2.322 106.529 108.800 0.085 0.000 2.796 401 G HA2 0.460 4.419 3.960 -0.002 0.000 0.571 401 G HA3 0.460 4.419 3.960 -0.002 0.000 0.571 401 G C 0.166 175.040 174.900 -0.044 0.000 1.370 401 G CA 0.928 46.044 45.100 0.025 0.000 0.856 401 G HN 2.962 nan 8.290 nan 0.000 0.538 402 S N -0.848 114.807 115.700 -0.074 0.000 2.588 402 S HA 0.832 5.301 4.470 -0.002 0.000 0.275 402 S C -1.873 172.706 174.600 -0.036 0.000 1.130 402 S CA -0.527 57.629 58.200 -0.073 0.000 0.855 402 S CB 2.881 66.000 63.200 -0.135 0.000 1.116 402 S HN 0.533 nan 8.310 nan 0.000 0.472 403 P HA 0.091 nan 4.420 nan 0.000 0.218 403 P C -0.393 176.913 177.300 0.010 0.000 1.149 403 P CA 1.280 64.377 63.100 -0.005 0.000 0.817 403 P CB -0.112 31.587 31.700 -0.000 0.000 0.785 404 D N -2.556 117.856 120.400 0.020 0.000 2.340 404 D HA 0.086 4.724 4.640 -0.002 0.000 0.240 404 D C 0.563 176.922 176.300 0.098 0.000 1.001 404 D CA -0.738 53.306 54.000 0.072 0.000 0.888 404 D CB 1.213 42.059 40.800 0.075 0.000 1.310 404 D HN -0.111 nan 8.370 nan 0.000 0.474 405 Y N 1.057 121.395 120.300 0.064 0.000 2.151 405 Y HA -0.234 4.315 4.550 -0.002 0.000 0.284 405 Y C 1.119 177.087 175.900 0.113 0.000 1.166 405 Y CA 1.762 59.934 58.100 0.119 0.000 1.163 405 Y CB 0.404 38.958 38.460 0.157 0.000 0.974 405 Y HN 0.440 nan 8.280 nan 0.000 0.511 406 Q N -1.943 118.043 119.800 0.310 0.000 2.544 406 Q HA 0.288 4.626 4.340 -0.002 0.000 0.291 406 Q C -0.939 175.125 176.000 0.107 0.000 1.068 406 Q CA -0.421 55.505 55.803 0.205 0.000 0.785 406 Q CB 1.991 30.867 28.738 0.229 0.000 1.481 406 Q HN 0.114 nan 8.270 nan 0.000 0.430 407 D N -0.270 120.173 120.400 0.071 0.000 2.772 407 D HA -0.142 4.497 4.640 -0.002 0.000 0.233 407 D C -1.194 175.119 176.300 0.022 0.000 1.143 407 D CA 1.637 55.663 54.000 0.044 0.000 0.700 407 D CB -1.198 39.635 40.800 0.054 0.000 1.076 407 D HN 0.487 nan 8.370 nan 0.000 0.430 408 S N -0.391 115.307 115.700 -0.003 0.000 2.548 408 S HA 0.337 4.805 4.470 -0.002 0.000 0.276 408 S C -1.119 173.448 174.600 -0.056 0.000 1.129 408 S CA -0.810 57.378 58.200 -0.021 0.000 0.931 408 S CB 1.538 64.728 63.200 -0.017 0.000 1.068 408 S HN -0.047 nan 8.310 nan 0.000 0.480 409 D N 3.117 123.490 120.400 -0.046 0.000 2.383 409 D HA 0.472 5.111 4.640 -0.002 0.000 0.252 409 D C 0.533 176.787 176.300 -0.076 0.000 1.166 409 D CA 0.327 54.292 54.000 -0.058 0.000 0.879 409 D CB 1.306 42.083 40.800 -0.038 0.000 1.164 409 D HN 0.675 nan 8.370 nan 0.000 0.462 410 A N 2.414 125.170 122.820 -0.108 0.000 2.327 410 A HA 0.538 4.856 4.320 -0.002 0.000 0.255 410 A C 0.711 178.250 177.584 -0.075 0.000 1.099 410 A CA -0.265 51.703 52.037 -0.115 0.000 0.801 410 A CB 0.317 19.216 19.000 -0.169 0.000 1.062 410 A HN 0.596 nan 8.150 nan 0.000 0.496 411 T N -3.321 111.196 114.554 -0.061 0.000 2.910 411 T HA 0.539 4.888 4.350 -0.002 0.000 0.287 411 T C 0.625 175.287 174.700 -0.062 0.000 1.050 411 T CA 0.229 62.307 62.100 -0.037 0.000 1.011 411 T CB 1.129 70.005 68.868 0.013 0.000 1.195 411 T HN 1.053 nan 8.240 nan 0.000 0.540 412 T N -1.082 113.439 114.554 -0.055 0.000 3.144 412 T HA 0.202 4.550 4.350 -0.002 0.000 0.249 412 T C 0.415 175.070 174.700 -0.076 0.000 1.089 412 T CA -0.554 61.480 62.100 -0.111 0.000 0.989 412 T CB -0.686 68.100 68.868 -0.137 0.000 0.992 412 T HN 0.547 nan 8.240 nan 0.000 0.540 413 N N 2.834 121.554 118.700 0.033 0.000 2.412 413 N HA 0.460 5.198 4.740 -0.002 0.000 0.254 413 N C -0.449 174.953 175.510 -0.180 0.000 1.232 413 N CA 0.308 53.396 53.050 0.063 0.000 0.880 413 N CB 0.574 39.205 38.487 0.240 0.000 1.076 413 N HN 0.659 nan 8.380 nan 0.000 0.458 414 A N 1.843 124.236 122.820 -0.713 0.000 2.517 414 A HA 0.608 4.927 4.320 -0.002 0.000 0.297 414 A C -1.438 175.576 177.584 -0.951 0.000 1.050 414 A CA -0.672 51.042 52.037 -0.538 0.000 0.694 414 A CB 0.971 19.740 19.000 -0.384 0.000 1.277 414 A HN 0.794 nan 8.150 nan 0.000 0.400 415 H N 0.069 118.989 119.070 -0.251 0.000 2.821 415 H HA 0.677 5.231 4.556 -0.003 0.000 0.373 415 H C -0.836 174.447 175.328 -0.076 0.000 1.165 415 H CA -0.478 55.480 56.048 -0.149 0.000 1.154 415 H CB 1.755 31.517 29.762 0.000 0.000 1.765 415 H HN 0.572 nan 8.280 nan 0.000 0.549 416 I N 3.184 123.802 120.570 0.080 0.000 2.339 416 I HA 0.299 4.467 4.170 -0.002 0.000 0.290 416 I C -0.459 175.708 176.117 0.082 0.000 0.994 416 I CA -0.247 61.104 61.300 0.086 0.000 1.191 416 I CB 0.839 38.900 38.000 0.101 0.000 1.343 416 I HN 0.276 nan 8.210 nan 0.000 0.458 417 I N 5.397 125.980 120.570 0.023 0.000 2.377 417 I HA 0.333 4.502 4.170 -0.002 0.000 0.293 417 I C -0.191 175.828 176.117 -0.163 0.000 0.987 417 I CA -0.312 60.957 61.300 -0.052 0.000 1.185 417 I CB 1.859 39.822 38.000 -0.062 0.000 1.341 417 I HN 0.469 nan 8.210 nan 0.000 0.455 418 T N 7.053 121.514 114.554 -0.156 0.000 2.842 418 T HA 0.458 4.807 4.350 -0.002 0.000 0.308 418 T C -0.069 174.495 174.700 -0.226 0.000 1.041 418 T CA -0.488 61.507 62.100 -0.174 0.000 0.964 418 T CB 0.433 69.260 68.868 -0.068 0.000 0.972 418 T HN 0.270 nan 8.240 nan 0.000 0.460 419 L N 2.933 123.930 121.223 -0.377 0.000 2.380 419 L HA 0.541 4.880 4.340 -0.002 0.000 0.273 419 L C 1.227 178.084 176.870 -0.022 0.000 1.138 419 L CA -0.204 54.395 54.840 -0.402 0.000 0.832 419 L CB 0.674 42.132 42.059 -1.002 0.000 1.124 419 L HN 0.747 nan 8.230 nan 0.000 0.454 420 G N 2.527 111.400 108.800 0.121 0.000 3.271 420 G HA2 0.259 4.217 3.960 -0.002 0.000 0.174 420 G HA3 0.259 4.217 3.960 -0.002 0.000 0.174 420 G C -0.339 174.756 174.900 0.325 0.000 1.385 420 G CA -0.351 44.874 45.100 0.208 0.000 0.979 420 G HN 0.462 nan 8.290 nan 0.000 0.610 421 E N 1.404 121.689 120.200 0.141 0.000 2.366 421 E HA 0.292 4.640 4.350 -0.002 0.000 0.266 421 E C -2.201 174.226 176.600 -0.290 0.000 1.051 421 E CA -1.776 54.636 56.400 0.019 0.000 0.884 421 E CB 1.008 30.686 29.700 -0.036 0.000 1.006 421 E HN 0.040 nan 8.360 nan 0.000 0.417 422 P HA 0.040 nan 4.420 nan 0.000 0.266 422 P C 0.741 177.469 177.300 -0.952 0.000 1.195 422 P CA 0.716 62.935 63.100 -1.469 0.000 0.768 422 P CB 0.462 31.738 31.700 -0.707 0.000 0.838 423 G N 1.064 109.060 108.800 -1.341 0.000 2.199 423 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.254 423 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.254 423 G C 0.259 175.109 174.900 -0.082 0.000 0.982 423 G CA 0.392 45.299 45.100 -0.322 0.000 0.632 423 G HN 0.860 nan 8.290 nan 0.000 0.529 424 T N -1.018 113.491 114.554 -0.076 0.000 2.902 424 T HA 0.681 5.029 4.350 -0.002 0.000 0.283 424 T C 0.188 175.129 174.700 0.402 0.000 1.009 424 T CA 0.272 62.462 62.100 0.149 0.000 1.051 424 T CB 2.003 70.922 68.868 0.086 0.000 0.999 424 T HN 0.425 nan 8.240 nan 0.000 0.474 425 S N 4.487 120.354 115.700 0.278 0.000 2.448 425 S HA 0.364 4.833 4.470 -0.002 0.000 0.279 425 S C -1.883 172.825 174.600 0.180 0.000 1.195 425 S CA -0.868 57.489 58.200 0.261 0.000 1.051 425 S CB -0.017 63.284 63.200 0.168 0.000 0.948 425 S HN 0.690 nan 8.310 nan 0.000 0.493 426 P HA 0.062 nan 4.420 nan 0.000 0.272 426 P C -0.224 177.094 177.300 0.031 0.000 1.223 426 P CA -0.592 62.527 63.100 0.031 0.000 0.784 426 P CB 0.466 32.073 31.700 -0.155 0.000 0.923 427 N N 1.168 119.880 118.700 0.020 0.000 2.492 427 N HA 0.082 4.821 4.740 -0.002 0.000 0.260 427 N C -0.646 174.884 175.510 0.033 0.000 1.215 427 N CA 0.379 53.449 53.050 0.034 0.000 0.923 427 N CB 0.453 38.961 38.487 0.035 0.000 1.092 427 N HN 0.479 nan 8.380 nan 0.000 0.448 428 T N -0.208 114.386 114.554 0.066 0.000 2.916 428 T HA 0.552 4.900 4.350 -0.002 0.000 0.298 428 T C -0.165 174.628 174.700 0.155 0.000 1.031 428 T CA -0.836 61.325 62.100 0.102 0.000 0.993 428 T CB 1.072 69.994 68.868 0.090 0.000 1.045 428 T HN 0.349 nan 8.240 nan 0.000 0.454 429 V N 0.391 120.420 119.914 0.192 0.000 3.141 429 V HA 0.847 4.966 4.120 -0.002 0.000 0.312 429 V C -0.675 175.569 176.094 0.251 0.000 1.157 429 V CA -1.501 60.927 62.300 0.213 0.000 1.041 429 V CB 1.603 33.512 31.823 0.144 0.000 1.071 429 V HN 0.873 nan 8.190 nan 0.000 0.441 430 F N 1.851 121.821 119.950 0.032 0.000 2.429 430 F HA 0.696 5.222 4.527 -0.002 0.000 0.348 430 F C 0.866 176.626 175.800 -0.067 0.000 1.109 430 F CA 0.295 58.211 58.000 -0.141 0.000 1.232 430 F CB 1.062 39.975 39.000 -0.144 0.000 1.157 430 F HN 0.916 nan 8.300 nan 0.000 0.564 431 A N 4.832 127.392 122.820 -0.432 0.000 2.343 431 A HA 0.489 4.808 4.320 -0.002 0.000 0.305 431 A C 0.655 178.274 177.584 0.058 0.000 1.308 431 A CA 0.540 52.452 52.037 -0.207 0.000 0.949 431 A CB 0.021 18.780 19.000 -0.403 0.000 1.148 431 A HN 1.158 nan 8.150 nan 0.000 0.545 432 S N 2.003 117.821 115.700 0.197 0.000 3.938 432 S HA -0.345 4.124 4.470 -0.002 0.000 0.624 432 S C 1.088 175.841 174.600 0.255 0.000 2.186 432 S CA 1.902 60.242 58.200 0.232 0.000 4.144 432 S CB -1.069 62.326 63.200 0.326 0.000 0.230 432 S HN 1.420 nan 8.310 nan 0.000 0.755 433 N N 1.901 120.705 118.700 0.173 0.000 2.238 433 N HA 0.415 5.153 4.740 -0.002 0.000 0.222 433 N C 0.286 175.873 175.510 0.127 0.000 1.133 433 N CA 1.727 54.853 53.050 0.128 0.000 0.854 433 N CB 0.305 38.764 38.487 -0.046 0.000 1.041 433 N HN 1.342 nan 8.380 nan 0.000 0.510 434 G N -0.027 108.799 108.800 0.045 0.000 2.728 434 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.294 434 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.294 434 G C -0.682 173.727 174.900 -0.819 0.000 1.342 434 G CA -0.476 44.438 45.100 -0.309 0.000 0.866 434 G HN 0.220 nan 8.290 nan 0.000 0.534 435 L N 0.071 120.805 121.223 -0.815 0.000 2.461 435 L HA 0.215 4.554 4.340 -0.002 0.000 0.272 435 L C 1.797 178.283 176.870 -0.640 0.000 1.197 435 L CA -0.440 53.867 54.840 -0.887 0.000 0.836 435 L CB 0.278 42.032 42.059 -0.508 0.000 1.105 435 L HN 0.650 nan 8.230 nan 0.000 0.477 436 Y N 1.400 121.352 120.300 -0.579 0.000 2.165 436 Y HA -0.144 4.404 4.550 -0.002 0.000 0.286 436 Y C 0.547 175.938 175.900 -0.848 0.000 1.155 436 Y CA 1.554 59.238 58.100 -0.694 0.000 1.164 436 Y CB -0.057 37.925 38.460 -0.797 0.000 0.978 436 Y HN 0.252 nan 8.280 nan 0.000 0.513 437 F N -1.000 118.910 119.950 -0.067 0.000 2.518 437 F HA 0.597 5.122 4.527 -0.003 0.000 0.323 437 F C 0.141 175.834 175.800 -0.179 0.000 1.129 437 F CA -1.918 56.019 58.000 -0.105 0.000 0.920 437 F CB 0.817 39.758 39.000 -0.099 0.000 1.160 437 F HN -0.250 nan 8.300 nan 0.000 0.440 438 A N 4.851 127.672 122.820 0.001 0.000 2.520 438 A HA 0.626 4.944 4.320 -0.002 0.000 0.245 438 A C 0.091 177.600 177.584 -0.126 0.000 1.072 438 A CA -0.229 51.758 52.037 -0.085 0.000 0.761 438 A CB 0.052 19.012 19.000 -0.067 0.000 1.004 438 A HN 0.884 nan 8.150 nan 0.000 0.499 439 R N 0.793 121.149 120.500 -0.240 0.000 2.643 439 R HA 0.752 5.090 4.340 -0.002 0.000 0.269 439 R C -1.002 175.110 176.300 -0.313 0.000 1.037 439 R CA -0.600 55.319 56.100 -0.303 0.000 0.894 439 R CB 1.439 31.512 30.300 -0.379 0.000 1.238 439 R HN 0.517 nan 8.270 nan 0.000 0.459 440 T N 0.898 115.315 114.554 -0.228 0.000 2.916 440 T HA 0.557 4.906 4.350 -0.002 0.000 0.292 440 T C -0.512 174.052 174.700 -0.226 0.000 1.055 440 T CA -0.257 61.697 62.100 -0.244 0.000 1.009 440 T CB 0.500 68.999 68.868 -0.616 0.000 1.118 440 T HN 0.563 nan 8.240 nan 0.000 0.497 441 F N 0.961 120.926 119.950 0.024 0.000 2.871 441 F HA -0.182 4.343 4.527 -0.003 0.000 0.326 441 F C 0.842 176.590 175.800 -0.087 0.000 0.675 441 F CA 0.741 58.685 58.000 -0.092 0.000 1.188 441 F CB -3.025 35.934 39.000 -0.068 0.000 1.567 441 F HN 0.812 nan 8.300 nan 0.000 0.325 442 H N 0.424 119.475 119.070 -0.031 0.000 2.730 442 H HA 0.620 5.174 4.556 -0.003 0.000 0.376 442 H C 0.651 175.950 175.328 -0.049 0.000 1.299 442 H CA 0.563 56.580 56.048 -0.052 0.000 1.447 442 H CB 0.542 30.278 29.762 -0.044 0.000 1.493 442 H HN 0.265 nan 8.280 nan 0.000 0.619 443 T N -1.735 112.802 114.554 -0.030 0.000 2.887 443 T HA 0.639 4.988 4.350 -0.002 0.000 0.292 443 T C -0.604 174.127 174.700 0.052 0.000 1.087 443 T CA -0.602 61.459 62.100 -0.065 0.000 1.009 443 T CB 1.639 70.487 68.868 -0.032 0.000 1.203 443 T HN 0.976 nan 8.240 nan 0.000 0.518 444 S N -0.534 115.219 115.700 0.090 0.000 2.547 444 S HA 0.763 5.231 4.470 -0.002 0.000 0.270 444 S C -0.923 173.801 174.600 0.207 0.000 1.150 444 S CA -0.508 57.808 58.200 0.194 0.000 0.850 444 S CB 1.131 64.564 63.200 0.389 0.000 1.118 444 S HN 1.997 nan 8.310 nan 0.000 0.461 445 V N -1.302 118.770 119.914 0.263 0.000 2.971 445 V HA 0.901 5.019 4.120 -0.002 0.000 0.309 445 V C -0.272 175.954 176.094 0.220 0.000 1.130 445 V CA -0.944 61.490 62.300 0.224 0.000 0.964 445 V CB 1.314 33.264 31.823 0.211 0.000 1.029 445 V HN 1.182 nan 8.190 nan 0.000 0.427 446 V N 5.124 125.149 119.914 0.185 0.000 2.530 446 V HA 0.473 4.591 4.120 -0.002 0.000 0.282 446 V C 0.074 176.234 176.094 0.110 0.000 1.048 446 V CA -0.067 62.334 62.300 0.168 0.000 0.997 446 V CB 0.757 32.697 31.823 0.195 0.000 0.987 446 V HN 0.806 nan 8.190 nan 0.000 0.477 447 L N 7.899 129.175 121.223 0.089 0.000 2.416 447 L HA 0.418 4.757 4.340 -0.002 0.000 0.262 447 L C -1.339 175.457 176.870 -0.122 0.000 1.093 447 L CA -1.804 53.045 54.840 0.015 0.000 0.801 447 L CB 0.803 42.957 42.059 0.158 0.000 1.191 447 L HN 0.409 nan 8.230 nan 0.000 0.459 448 P HA -0.198 nan 4.420 nan 0.000 0.217 448 P C 0.524 177.668 177.300 -0.261 0.000 1.151 448 P CA 1.279 64.082 63.100 -0.495 0.000 0.849 448 P CB -0.021 31.074 31.700 -1.008 0.000 0.787 449 D N -2.216 118.034 120.400 -0.249 0.000 2.336 449 D HA 0.091 4.730 4.640 -0.002 0.000 0.229 449 D C 1.403 177.674 176.300 -0.047 0.000 1.061 449 D CA 0.532 54.445 54.000 -0.145 0.000 0.875 449 D CB -1.004 39.710 40.800 -0.145 0.000 0.904 449 D HN 0.242 nan 8.370 nan 0.000 0.525 450 G N 0.221 109.019 108.800 -0.002 0.000 2.179 450 G HA2 -0.309 3.649 3.960 -0.002 0.000 0.260 450 G HA3 -0.309 3.649 3.960 -0.002 0.000 0.260 450 G C 0.463 175.379 174.900 0.027 0.000 0.977 450 G CA 0.509 45.658 45.100 0.081 0.000 0.641 450 G HN 0.844 nan 8.290 nan 0.000 0.533 451 S N -0.369 115.324 115.700 -0.012 0.000 2.593 451 S HA 0.631 5.100 4.470 -0.002 0.000 0.269 451 S C 0.070 174.689 174.600 0.032 0.000 1.334 451 S CA 0.673 58.843 58.200 -0.049 0.000 1.015 451 S CB 1.809 64.995 63.200 -0.023 0.000 0.912 451 S HN 0.613 nan 8.310 nan 0.000 0.541 452 T N 2.606 117.171 114.554 0.018 0.000 2.786 452 T HA 0.418 4.766 4.350 -0.002 0.000 0.283 452 T C -0.948 173.811 174.700 0.100 0.000 0.992 452 T CA -0.308 61.839 62.100 0.078 0.000 0.954 452 T CB 0.309 69.195 68.868 0.030 0.000 0.934 452 T HN 0.550 nan 8.240 nan 0.000 0.440 453 F N 4.988 124.940 119.950 0.005 0.000 2.411 453 F HA 0.666 5.195 4.527 0.004 0.000 0.350 453 F C -0.782 175.016 175.800 -0.004 0.000 1.114 453 F CA -1.234 56.747 58.000 -0.031 0.000 1.135 453 F CB 0.313 39.285 39.000 -0.048 0.000 1.120 453 F HN 0.428 nan 8.300 nan 0.000 0.495 454 I N 5.649 125.807 120.570 -0.687 0.000 2.466 454 I HA 0.379 4.548 4.170 -0.002 0.000 0.289 454 I C -0.405 175.342 176.117 -0.617 0.000 1.026 454 I CA -0.471 60.576 61.300 -0.421 0.000 1.078 454 I CB 2.117 39.949 38.000 -0.279 0.000 1.249 454 I HN 0.561 nan 8.210 nan 0.000 0.429 455 T N 3.662 118.001 114.554 -0.358 0.000 2.956 455 T HA 0.712 5.061 4.350 -0.002 0.000 0.312 455 T C -0.072 174.578 174.700 -0.083 0.000 1.151 455 T CA 0.603 62.533 62.100 -0.283 0.000 1.024 455 T CB 1.511 70.234 68.868 -0.243 0.000 1.140 455 T HN 1.159 nan 8.240 nan 0.000 0.473 456 G N 2.006 110.730 108.800 -0.125 0.000 2.553 456 G HA2 0.380 4.338 3.960 -0.002 0.000 0.242 456 G HA3 0.380 4.338 3.960 -0.002 0.000 0.242 456 G C 0.628 175.458 174.900 -0.117 0.000 1.277 456 G CA 0.347 45.354 45.100 -0.156 0.000 0.910 456 G HN 2.500 nan 8.290 nan 0.000 0.576 457 G N -1.799 106.951 108.800 -0.082 0.000 2.757 457 G HA2 0.538 4.497 3.960 -0.002 0.000 0.638 457 G HA3 0.538 4.497 3.960 -0.002 0.000 0.638 457 G C -0.356 174.463 174.900 -0.135 0.000 1.344 457 G CA 0.901 45.983 45.100 -0.030 0.000 0.855 457 G HN 2.504 nan 8.290 nan 0.000 0.537 458 Q N -1.285 118.443 119.800 -0.120 0.000 2.456 458 Q HA 0.709 5.047 4.340 -0.002 0.000 0.284 458 Q C 0.966 176.872 176.000 -0.157 0.000 1.061 458 Q CA -0.835 54.879 55.803 -0.148 0.000 0.799 458 Q CB 1.797 30.484 28.738 -0.085 0.000 1.445 458 Q HN 0.669 nan 8.270 nan 0.000 0.411 459 R N 0.135 120.557 120.500 -0.131 0.000 2.115 459 R HA 0.030 4.369 4.340 -0.002 0.000 0.226 459 R C 0.165 176.398 176.300 -0.111 0.000 1.100 459 R CA 1.029 57.064 56.100 -0.108 0.000 0.980 459 R CB 0.410 30.668 30.300 -0.069 0.000 0.875 459 R HN 0.630 nan 8.270 nan 0.000 0.445 460 R N -0.351 120.089 120.500 -0.099 0.000 2.476 460 R HA 0.252 4.590 4.340 -0.002 0.000 0.305 460 R C -1.125 175.122 176.300 -0.088 0.000 0.965 460 R CA -0.364 55.683 56.100 -0.087 0.000 0.867 460 R CB 1.796 32.069 30.300 -0.044 0.000 1.176 460 R HN 0.185 nan 8.270 nan 0.000 0.447 461 G N 5.356 114.064 108.800 -0.153 0.000 2.367 461 G HA2 0.277 4.236 3.960 -0.002 0.000 0.282 461 G HA3 0.277 4.236 3.960 -0.002 0.000 0.282 461 G C -0.122 174.851 174.900 0.122 0.000 1.140 461 G CA -0.151 44.877 45.100 -0.120 0.000 1.088 461 G HN 0.612 nan 8.290 nan 0.000 0.431 462 I N 4.560 125.250 120.570 0.200 0.000 2.641 462 I HA 0.179 4.347 4.170 -0.002 0.000 0.275 462 I C -2.374 173.753 176.117 0.017 0.000 1.129 462 I CA -1.895 59.465 61.300 0.100 0.000 1.094 462 I CB 2.414 40.453 38.000 0.065 0.000 1.232 462 I HN 0.244 nan 8.210 nan 0.000 0.503 463 P HA 0.003 nan 4.420 nan 0.000 0.263 463 P C -0.087 176.978 177.300 -0.391 0.000 1.168 463 P CA 0.647 63.274 63.100 -0.788 0.000 0.759 463 P CB 0.058 30.965 31.700 -1.322 0.000 0.782 464 F N -0.947 119.000 119.950 -0.005 0.000 2.656 464 F HA -0.219 4.307 4.527 -0.003 0.000 0.381 464 F C 0.656 176.475 175.800 0.031 0.000 0.603 464 F CA 0.921 58.952 58.000 0.052 0.000 1.335 464 F CB -1.905 37.147 39.000 0.087 0.000 1.836 464 F HN 0.330 nan 8.300 nan 0.000 0.290 465 E N 0.954 121.234 120.200 0.134 0.000 2.171 465 E HA 0.344 4.692 4.350 -0.002 0.000 0.271 465 E C -0.218 176.419 176.600 0.061 0.000 0.916 465 E CA -0.510 55.947 56.400 0.094 0.000 0.774 465 E CB 0.923 30.669 29.700 0.078 0.000 1.128 465 E HN 0.044 nan 8.360 nan 0.000 0.403 466 D N 2.649 123.081 120.400 0.053 0.000 2.690 466 D HA 0.057 4.695 4.640 -0.002 0.000 0.236 466 D C -0.239 176.054 176.300 -0.011 0.000 1.218 466 D CA 0.166 54.182 54.000 0.026 0.000 0.829 466 D CB 0.033 40.874 40.800 0.068 0.000 1.009 466 D HN 0.311 nan 8.370 nan 0.000 0.482 467 S N -0.863 114.833 115.700 -0.006 0.000 2.652 467 S HA 0.268 4.737 4.470 -0.002 0.000 0.270 467 S C 0.910 175.476 174.600 -0.056 0.000 1.243 467 S CA -0.250 57.939 58.200 -0.018 0.000 0.999 467 S CB 1.080 64.281 63.200 0.002 0.000 0.973 467 S HN 0.287 nan 8.310 nan 0.000 0.544 468 T N -2.356 112.162 114.554 -0.059 0.000 3.669 468 T HA -0.126 4.222 4.350 -0.002 0.000 0.371 468 T C -1.875 172.721 174.700 -0.174 0.000 0.763 468 T CA 0.461 62.508 62.100 -0.089 0.000 1.877 468 T CB -2.436 66.392 68.868 -0.067 0.000 1.799 468 T HN 0.659 nan 8.240 nan 0.000 0.720 469 P HA 0.488 nan 4.420 nan 0.000 0.274 469 P C -0.095 176.827 177.300 -0.629 0.000 1.231 469 P CA -0.509 62.291 63.100 -0.500 0.000 0.790 469 P CB 1.244 32.492 31.700 -0.754 0.000 0.951 470 V N 3.683 123.223 119.914 -0.623 0.000 2.328 470 V HA 0.174 4.292 4.120 -0.002 0.000 0.278 470 V C 0.723 176.430 176.094 -0.645 0.000 1.021 470 V CA 0.009 61.953 62.300 -0.594 0.000 0.838 470 V CB 0.204 31.773 31.823 -0.424 0.000 0.999 470 V HN 0.417 nan 8.190 nan 0.000 0.447 471 F N 1.331 121.053 119.950 -0.380 0.000 2.746 471 F HA 0.154 4.679 4.527 -0.003 0.000 0.297 471 F C 1.404 177.032 175.800 -0.287 0.000 1.113 471 F CA 0.166 57.972 58.000 -0.323 0.000 1.367 471 F CB 0.319 39.152 39.000 -0.279 0.000 1.111 471 F HN 0.362 nan 8.300 nan 0.000 0.590 472 T N 3.875 118.307 114.554 -0.203 0.000 2.753 472 T HA 0.291 4.640 4.350 -0.002 0.000 0.297 472 T C -2.401 172.268 174.700 -0.051 0.000 0.981 472 T CA -1.544 60.499 62.100 -0.096 0.000 0.956 472 T CB 1.375 70.169 68.868 -0.124 0.000 0.936 472 T HN -0.222 nan 8.240 nan 0.000 0.463 473 P HA 0.401 nan 4.420 nan 0.000 0.276 473 P C -0.489 176.778 177.300 -0.055 0.000 1.261 473 P CA -0.592 62.430 63.100 -0.130 0.000 0.800 473 P CB 1.054 32.592 31.700 -0.271 0.000 1.066 474 E N -0.067 120.058 120.200 -0.124 0.000 2.343 474 E HA 0.606 4.955 4.350 -0.002 0.000 0.270 474 E C -0.748 175.877 176.600 0.042 0.000 0.895 474 E CA -0.724 55.714 56.400 0.062 0.000 0.767 474 E CB 1.968 31.768 29.700 0.167 0.000 1.248 474 E HN 0.314 nan 8.360 nan 0.000 0.440 475 I N 2.241 122.931 120.570 0.201 0.000 2.436 475 I HA 0.225 4.394 4.170 -0.002 0.000 0.289 475 I C -1.222 174.979 176.117 0.139 0.000 1.010 475 I CA -0.966 60.435 61.300 0.168 0.000 1.098 475 I CB 1.191 39.299 38.000 0.180 0.000 1.266 475 I HN 0.519 nan 8.210 nan 0.000 0.434 476 Y N 7.084 127.251 120.300 -0.222 0.000 2.327 476 Y HA 0.446 4.994 4.550 -0.003 0.000 0.336 476 Y C -0.580 175.100 175.900 -0.367 0.000 1.035 476 Y CA -0.440 57.287 58.100 -0.621 0.000 1.165 476 Y CB 1.109 38.980 38.460 -0.981 0.000 1.181 476 Y HN 0.226 nan 8.280 nan 0.000 0.494 477 V N 10.526 129.895 119.914 -0.909 0.000 2.294 477 V HA 0.210 4.328 4.120 -0.002 0.000 0.272 477 V C -1.819 173.715 176.094 -0.933 0.000 1.027 477 V CA -1.527 60.399 62.300 -0.624 0.000 0.823 477 V CB 1.178 32.875 31.823 -0.209 0.000 1.030 477 V HN 0.749 nan 8.190 nan 0.000 0.457 478 P HA -0.153 nan 4.420 nan 0.000 0.217 478 P C 1.477 178.627 177.300 -0.250 0.000 1.150 478 P CA 0.947 63.729 63.100 -0.530 0.000 0.832 478 P CB 0.513 32.082 31.700 -0.219 0.000 0.787 479 E N -0.177 119.917 120.200 -0.177 0.000 2.204 479 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 479 E C 1.650 178.196 176.600 -0.090 0.000 0.990 479 E CA 0.917 57.266 56.400 -0.085 0.000 0.821 479 E CB -0.145 29.519 29.700 -0.060 0.000 0.750 479 E HN 0.322 nan 8.360 nan 0.000 0.477 480 Q N -0.134 119.577 119.800 -0.148 0.000 2.356 480 Q HA -0.009 4.330 4.340 -0.002 0.000 0.205 480 Q C -0.194 175.721 176.000 -0.141 0.000 0.901 480 Q CA 0.344 56.085 55.803 -0.104 0.000 0.938 480 Q CB 0.563 29.280 28.738 -0.036 0.000 1.081 480 Q HN 0.159 nan 8.270 nan 0.000 0.517 481 D N 1.311 121.572 120.400 -0.233 0.000 2.704 481 D HA -0.149 4.490 4.640 -0.002 0.000 0.232 481 D C -1.296 174.912 176.300 -0.153 0.000 1.183 481 D CA 0.990 54.898 54.000 -0.153 0.000 0.647 481 D CB -0.744 40.076 40.800 0.033 0.000 1.013 481 D HN 0.087 nan 8.370 nan 0.000 0.415 482 T N 0.939 115.259 114.554 -0.389 0.000 2.916 482 T HA 0.524 4.873 4.350 -0.002 0.000 0.298 482 T C -0.283 174.180 174.700 -0.395 0.000 1.031 482 T CA -0.613 61.312 62.100 -0.291 0.000 0.993 482 T CB 0.703 69.388 68.868 -0.304 0.000 1.045 482 T HN 0.015 nan 8.240 nan 0.000 0.454 483 F N 1.884 121.737 119.950 -0.162 0.000 2.397 483 F HA 0.615 5.140 4.527 -0.003 0.000 0.331 483 F C -0.310 175.441 175.800 -0.080 0.000 1.090 483 F CA -0.587 57.410 58.000 -0.005 0.000 1.065 483 F CB 0.962 39.984 39.000 0.036 0.000 1.184 483 F HN 0.488 nan 8.300 nan 0.000 0.499 484 Y N 1.329 121.832 120.300 0.338 0.000 2.361 484 Y HA 0.342 4.892 4.550 -0.000 0.000 0.337 484 Y C -0.166 175.784 175.900 0.084 0.000 0.965 484 Y CA -1.345 56.872 58.100 0.195 0.000 1.091 484 Y CB 1.558 40.068 38.460 0.083 0.000 1.182 484 Y HN 0.380 nan 8.280 nan 0.000 0.450 485 K N 3.400 123.783 120.400 -0.028 0.000 2.382 485 K HA 0.147 4.466 4.320 -0.002 0.000 0.275 485 K C -0.269 176.387 176.600 0.092 0.000 1.009 485 K CA -0.357 55.887 56.287 -0.071 0.000 0.970 485 K CB 0.529 32.868 32.500 -0.268 0.000 0.934 485 K HN 0.562 nan 8.250 nan 0.000 0.479 486 Q N 1.236 121.116 119.800 0.134 0.000 2.333 486 Q HA 0.247 4.586 4.340 -0.002 0.000 0.266 486 Q C -0.200 175.942 176.000 0.237 0.000 1.053 486 Q CA -0.921 55.012 55.803 0.216 0.000 0.890 486 Q CB 0.639 29.547 28.738 0.284 0.000 1.337 486 Q HN 0.458 nan 8.270 nan 0.000 0.474 487 N N 2.699 121.584 118.700 0.308 0.000 2.458 487 N HA 0.119 4.858 4.740 -0.002 0.000 0.258 487 N C -2.190 173.588 175.510 0.446 0.000 1.219 487 N CA -0.514 52.718 53.050 0.303 0.000 0.902 487 N CB 0.134 38.785 38.487 0.274 0.000 1.076 487 N HN 0.253 nan 8.380 nan 0.000 0.455 488 P HA 0.085 nan 4.420 nan 0.000 0.276 488 P C -0.364 176.925 177.300 -0.018 0.000 1.244 488 P CA -0.442 62.742 63.100 0.139 0.000 0.801 488 P CB 0.944 32.655 31.700 0.019 0.000 1.006 489 N N -0.057 118.415 118.700 -0.381 0.000 2.604 489 N HA 0.204 4.942 4.740 -0.002 0.000 0.297 489 N C 0.043 175.325 175.510 -0.381 0.000 1.266 489 N CA -0.635 51.997 53.050 -0.696 0.000 0.961 489 N CB 0.499 38.016 38.487 -1.617 0.000 1.166 489 N HN 0.236 nan 8.380 nan 0.000 0.601 490 S N -1.116 114.373 115.700 -0.353 0.000 2.666 490 S HA 0.391 4.860 4.470 -0.002 0.000 0.239 490 S C 0.298 174.793 174.600 -0.175 0.000 1.031 490 S CA -0.403 57.566 58.200 -0.384 0.000 1.015 490 S CB 0.113 63.150 63.200 -0.272 0.000 0.981 490 S HN 0.486 nan 8.310 nan 0.000 0.547 491 I N 2.240 122.754 120.570 -0.093 0.000 2.362 491 I HA 0.324 4.493 4.170 -0.002 0.000 0.289 491 I C -0.379 175.658 176.117 -0.134 0.000 0.994 491 I CA -0.846 60.393 61.300 -0.102 0.000 1.158 491 I CB 1.714 39.598 38.000 -0.194 0.000 1.315 491 I HN -0.160 nan 8.210 nan 0.000 0.451 492 V N 7.275 127.096 119.914 -0.156 0.000 2.585 492 V HA 0.114 4.233 4.120 -0.002 0.000 0.296 492 V C 0.444 176.256 176.094 -0.469 0.000 1.035 492 V CA -0.073 62.036 62.300 -0.318 0.000 1.084 492 V CB 0.125 31.831 31.823 -0.194 0.000 0.953 492 V HN 0.603 nan 8.190 nan 0.000 0.483 493 R N 4.546 124.837 120.500 -0.348 0.000 2.443 493 R HA 0.435 4.773 4.340 -0.002 0.000 0.287 493 R C -0.262 175.941 176.300 -0.162 0.000 1.425 493 R CA -0.176 55.765 56.100 -0.264 0.000 1.300 493 R CB 1.124 31.295 30.300 -0.215 0.000 1.129 493 R HN 0.658 nan 8.270 nan 0.000 0.577 494 V N -1.040 118.804 119.914 -0.116 0.000 6.654 494 V HA 0.468 4.587 4.120 -0.002 0.000 0.271 494 V C 0.283 176.332 176.094 -0.075 0.000 1.660 494 V CA -0.846 61.451 62.300 -0.004 0.000 0.586 494 V CB -0.284 31.564 31.823 0.042 0.000 1.532 494 V HN 0.368 nan 8.190 nan 0.000 0.371 495 Y N 1.941 121.984 120.300 -0.428 0.000 2.810 495 Y HA 0.168 4.717 4.550 -0.002 0.000 0.332 495 Y C 1.033 176.578 175.900 -0.591 0.000 1.243 495 Y CA 1.349 58.890 58.100 -0.932 0.000 1.537 495 Y CB -1.213 36.424 38.460 -1.372 0.000 1.265 495 Y HN 0.797 nan 8.280 nan 0.000 0.572 496 H N 1.040 119.510 119.070 -1.000 0.000 3.049 496 H HA -0.169 4.386 4.556 -0.003 0.000 0.250 496 H C 0.147 175.204 175.328 -0.452 0.000 1.219 496 H CA 0.181 55.746 56.048 -0.804 0.000 1.117 496 H CB -1.446 27.980 29.762 -0.560 0.000 1.251 496 H HN 0.555 nan 8.280 nan 0.000 0.338 497 S N 0.633 116.169 115.700 -0.273 0.000 2.672 497 S HA 0.705 5.173 4.470 -0.002 0.000 0.276 497 S C 0.189 174.680 174.600 -0.183 0.000 1.207 497 S CA -0.422 57.668 58.200 -0.184 0.000 1.002 497 S CB 2.430 65.542 63.200 -0.146 0.000 0.998 497 S HN 0.426 nan 8.310 nan 0.000 0.542 498 I N -2.152 118.354 120.570 -0.108 0.000 2.865 498 I HA 0.857 5.026 4.170 -0.002 0.000 0.302 498 I C -0.707 175.432 176.117 0.037 0.000 1.140 498 I CA -0.743 60.519 61.300 -0.062 0.000 1.021 498 I CB 2.060 40.024 38.000 -0.059 0.000 1.233 498 I HN 0.546 nan 8.210 nan 0.000 0.427 499 S N 3.926 119.673 115.700 0.078 0.000 2.549 499 S HA 0.883 5.352 4.470 -0.002 0.000 0.280 499 S C -0.957 173.754 174.600 0.185 0.000 1.109 499 S CA -0.617 57.690 58.200 0.180 0.000 0.905 499 S CB 1.578 64.910 63.200 0.219 0.000 1.081 499 S HN 0.604 nan 8.310 nan 0.000 0.477 500 L N 2.116 123.489 121.223 0.251 0.000 2.434 500 L HA 0.550 4.888 4.340 -0.002 0.000 0.260 500 L C -1.227 175.769 176.870 0.210 0.000 0.983 500 L CA -0.949 54.012 54.840 0.202 0.000 0.820 500 L CB 1.799 43.965 42.059 0.178 0.000 1.361 500 L HN 0.473 nan 8.230 nan 0.000 0.410 501 L N 2.830 124.149 121.223 0.160 0.000 2.367 501 L HA 0.387 4.726 4.340 -0.002 0.000 0.275 501 L C -0.622 176.344 176.870 0.159 0.000 1.129 501 L CA 0.467 55.392 54.840 0.142 0.000 0.839 501 L CB 0.593 42.714 42.059 0.103 0.000 1.133 501 L HN 0.378 nan 8.230 nan 0.000 0.453 502 L N 7.166 128.499 121.223 0.183 0.000 2.379 502 L HA 0.370 4.709 4.340 -0.002 0.000 0.269 502 L C -1.252 175.741 176.870 0.205 0.000 1.084 502 L CA -1.660 53.297 54.840 0.195 0.000 0.802 502 L CB 0.797 42.995 42.059 0.232 0.000 1.175 502 L HN 0.525 nan 8.230 nan 0.000 0.448 503 P HA -0.179 nan 4.420 nan 0.000 0.220 503 P C 0.505 177.920 177.300 0.191 0.000 1.144 503 P CA 1.045 64.227 63.100 0.138 0.000 0.800 503 P CB -0.025 31.733 31.700 0.097 0.000 0.772 504 D N -1.796 118.715 120.400 0.184 0.000 2.328 504 D HA 0.075 4.714 4.640 -0.002 0.000 0.226 504 D C 1.407 177.837 176.300 0.216 0.000 1.066 504 D CA 0.494 54.600 54.000 0.176 0.000 0.861 504 D CB -0.945 39.916 40.800 0.102 0.000 0.912 504 D HN 0.214 nan 8.370 nan 0.000 0.521 505 G N 0.206 109.163 108.800 0.263 0.000 2.179 505 G HA2 -0.323 3.635 3.960 -0.002 0.000 0.260 505 G HA3 -0.323 3.635 3.960 -0.002 0.000 0.260 505 G C 0.416 175.371 174.900 0.091 0.000 0.977 505 G CA 0.126 45.286 45.100 0.100 0.000 0.641 505 G HN 0.492 nan 8.290 nan 0.000 0.533 506 R N -0.829 119.712 120.500 0.068 0.000 2.549 506 R HA 0.670 5.009 4.340 -0.002 0.000 0.259 506 R C -0.094 176.221 176.300 0.025 0.000 1.095 506 R CA -0.499 55.590 56.100 -0.018 0.000 1.148 506 R CB 1.280 31.579 30.300 -0.002 0.000 1.181 506 R HN 0.092 nan 8.270 nan 0.000 0.571 507 V N 1.535 121.425 119.914 -0.040 0.000 2.555 507 V HA 0.311 4.430 4.120 -0.002 0.000 0.302 507 V C -0.950 175.237 176.094 0.155 0.000 1.038 507 V CA -0.651 61.663 62.300 0.024 0.000 0.887 507 V CB 1.502 33.199 31.823 -0.211 0.000 0.991 507 V HN 0.509 nan 8.190 nan 0.000 0.434 508 F N 5.248 125.257 119.950 0.098 0.000 2.388 508 F HA 0.499 5.022 4.527 -0.006 0.000 0.358 508 F C 0.085 175.968 175.800 0.138 0.000 1.122 508 F CA -0.136 57.930 58.000 0.111 0.000 1.056 508 F CB 0.720 39.803 39.000 0.140 0.000 1.155 508 F HN 0.582 nan 8.300 nan 0.000 0.461 509 N N 4.632 123.256 118.700 -0.127 0.000 2.399 509 N HA 0.678 5.417 4.740 -0.002 0.000 0.284 509 N C -0.856 174.524 175.510 -0.218 0.000 1.025 509 N CA -0.275 52.785 53.050 0.018 0.000 0.885 509 N CB 1.787 40.471 38.487 0.329 0.000 1.339 509 N HN 0.872 nan 8.380 nan 0.000 0.487 510 G N 0.974 109.677 108.800 -0.160 0.000 2.682 510 G HA2 0.697 4.656 3.960 -0.002 0.000 0.303 510 G HA3 0.697 4.656 3.960 -0.002 0.000 0.303 510 G C -0.111 174.728 174.900 -0.101 0.000 1.341 510 G CA -0.040 44.953 45.100 -0.178 0.000 0.784 510 G HN 0.891 nan 8.290 nan 0.000 0.497 511 G N -1.501 107.254 108.800 -0.075 0.000 2.593 511 G HA2 0.519 4.477 3.960 -0.002 0.000 0.237 511 G HA3 0.519 4.477 3.960 -0.002 0.000 0.237 511 G C 0.862 175.726 174.900 -0.061 0.000 1.312 511 G CA 1.086 46.145 45.100 -0.068 0.000 0.896 511 G HN 3.004 nan 8.290 nan 0.000 0.574 512 G N -2.261 106.507 108.800 -0.053 0.000 3.233 512 G HA2 0.566 4.524 3.960 -0.002 0.000 0.686 512 G HA3 0.566 4.524 3.960 -0.002 0.000 0.686 512 G C 0.936 175.891 174.900 0.093 0.000 1.153 512 G CA 0.557 45.662 45.100 0.007 0.000 0.853 512 G HN 3.197 nan 8.290 nan 0.000 0.582 513 G N 0.695 109.581 108.800 0.143 0.000 2.964 513 G HA2 0.344 4.302 3.960 -0.002 0.000 0.229 513 G HA3 0.344 4.302 3.960 -0.002 0.000 0.229 513 G C 0.482 175.647 174.900 0.442 0.000 1.395 513 G CA 0.771 46.015 45.100 0.241 0.000 1.060 513 G HN 2.608 nan 8.290 nan 0.000 0.568 514 L N -0.719 120.600 121.223 0.160 0.000 3.468 514 L HA -0.151 4.188 4.340 -0.002 0.000 0.537 514 L C 1.019 177.981 176.870 0.154 0.000 1.321 514 L CA 1.658 56.573 54.840 0.125 0.000 0.899 514 L CB -1.337 40.789 42.059 0.112 0.000 1.635 514 L HN 1.998 nan 8.230 nan 0.000 0.856 515 C N -1.023 118.250 119.300 -0.045 0.000 3.245 515 C HA 0.803 5.261 4.460 -0.002 0.000 0.254 515 C C 1.890 176.748 174.990 -0.219 0.000 1.931 515 C CA -0.269 58.589 59.018 -0.267 0.000 1.726 515 C CB -0.526 26.981 27.740 -0.388 0.000 3.348 515 C HN 1.805 nan 8.230 nan 0.000 0.458 516 G N 3.275 111.973 108.800 -0.169 0.000 2.602 516 G HA2 -0.410 3.549 3.960 -0.002 0.000 0.310 516 G HA3 -0.410 3.549 3.960 -0.002 0.000 0.310 516 G C 0.594 175.433 174.900 -0.101 0.000 1.183 516 G CA 1.393 46.407 45.100 -0.145 0.000 0.979 516 G HN 0.751 nan 8.290 nan 0.000 0.545 517 D N 1.621 121.961 120.400 -0.100 0.000 2.378 517 D HA 0.097 4.736 4.640 -0.002 0.000 0.227 517 D C 1.711 177.972 176.300 -0.065 0.000 1.012 517 D CA 1.034 54.991 54.000 -0.071 0.000 0.905 517 D CB -1.575 39.186 40.800 -0.065 0.000 0.895 517 D HN 1.123 nan 8.370 nan 0.000 0.532 518 C N 0.319 119.571 119.300 -0.080 0.000 2.741 518 C HA 0.379 4.838 4.460 -0.002 0.000 0.403 518 C C 1.982 176.932 174.990 -0.068 0.000 1.282 518 C CA 0.096 59.075 59.018 -0.065 0.000 2.053 518 C CB -0.000 27.703 27.740 -0.061 0.000 2.731 518 C HN 0.408 nan 8.230 nan 0.000 0.680 519 T N -2.415 112.095 114.554 -0.073 0.000 3.107 519 T HA 0.062 4.411 4.350 -0.002 0.000 0.249 519 T C 0.960 175.548 174.700 -0.187 0.000 1.096 519 T CA 0.729 62.760 62.100 -0.115 0.000 1.012 519 T CB -0.777 68.029 68.868 -0.103 0.000 0.977 519 T HN 1.030 nan 8.240 nan 0.000 0.527 520 T N -0.600 113.865 114.554 -0.149 0.000 3.145 520 T HA 0.229 4.577 4.350 -0.002 0.000 0.255 520 T C 0.382 174.904 174.700 -0.296 0.000 1.039 520 T CA -0.726 61.263 62.100 -0.184 0.000 0.928 520 T CB -0.368 68.502 68.868 0.005 0.000 1.029 520 T HN 0.158 nan 8.240 nan 0.000 0.554 521 N N 3.110 121.614 118.700 -0.327 0.000 2.497 521 N HA 0.074 4.812 4.740 -0.002 0.000 0.268 521 N C -0.637 174.481 175.510 -0.655 0.000 1.171 521 N CA 0.177 52.953 53.050 -0.456 0.000 0.948 521 N CB 0.298 38.452 38.487 -0.555 0.000 1.069 521 N HN 0.464 nan 8.380 nan 0.000 0.460 522 H N 2.497 121.369 119.070 -0.331 0.000 2.673 522 H HA 0.181 4.736 4.556 -0.003 0.000 0.293 522 H C -0.126 175.075 175.328 -0.212 0.000 1.065 522 H CA -0.371 55.563 56.048 -0.190 0.000 1.236 522 H CB 0.237 29.924 29.762 -0.125 0.000 1.389 522 H HN 0.425 nan 8.280 nan 0.000 0.481 523 F N 3.259 123.260 119.950 0.085 0.000 2.833 523 F HA 0.077 4.602 4.527 -0.004 0.000 0.327 523 F C 0.201 176.091 175.800 0.150 0.000 1.184 523 F CA -0.329 57.741 58.000 0.117 0.000 1.328 523 F CB -0.155 38.931 39.000 0.142 0.000 1.440 523 F HN 0.536 nan 8.300 nan 0.000 0.569 524 D N -0.466 120.056 120.400 0.203 0.000 2.738 524 D HA 0.724 5.363 4.640 -0.002 0.000 0.308 524 D C -1.300 174.981 176.300 -0.032 0.000 1.311 524 D CA -0.945 53.129 54.000 0.123 0.000 0.799 524 D CB 1.114 42.011 40.800 0.161 0.000 1.332 524 D HN 0.047 nan 8.370 nan 0.000 0.441 525 A N -0.682 122.038 122.820 -0.167 0.000 2.593 525 A HA 0.778 5.096 4.320 -0.002 0.000 0.290 525 A C -1.478 175.905 177.584 -0.335 0.000 1.126 525 A CA -0.758 51.026 52.037 -0.421 0.000 0.695 525 A CB 1.761 20.127 19.000 -1.057 0.000 1.290 525 A HN 0.491 nan 8.150 nan 0.000 0.414 526 Q N 0.158 119.792 119.800 -0.277 0.000 2.451 526 Q HA 0.539 4.878 4.340 -0.002 0.000 0.281 526 Q C -1.202 174.801 176.000 0.006 0.000 1.099 526 Q CA -0.960 54.824 55.803 -0.032 0.000 0.806 526 Q CB 2.293 31.174 28.738 0.239 0.000 1.419 526 Q HN 0.602 nan 8.270 nan 0.000 0.427 527 I N 1.680 122.285 120.570 0.058 0.000 2.365 527 I HA 0.257 4.426 4.170 -0.002 0.000 0.291 527 I C -0.461 175.644 176.117 -0.020 0.000 1.004 527 I CA -0.185 61.139 61.300 0.040 0.000 1.311 527 I CB -0.002 38.023 38.000 0.042 0.000 1.401 527 I HN 0.545 nan 8.210 nan 0.000 0.491 528 F N 5.463 125.136 119.950 -0.461 0.000 2.404 528 F HA 0.393 4.922 4.527 0.003 0.000 0.354 528 F C 0.202 175.656 175.800 -0.577 0.000 1.122 528 F CA -0.255 57.203 58.000 -0.904 0.000 1.080 528 F CB 1.160 39.234 39.000 -1.542 0.000 1.131 528 F HN 0.364 nan 8.300 nan 0.000 0.471 529 T N 8.364 122.266 114.554 -1.087 0.000 2.781 529 T HA 0.321 4.670 4.350 -0.002 0.000 0.305 529 T C -2.529 171.486 174.700 -1.141 0.000 1.001 529 T CA -1.292 60.324 62.100 -0.807 0.000 0.950 529 T CB 0.826 69.454 68.868 -0.400 0.000 0.955 529 T HN 0.321 nan 8.240 nan 0.000 0.471 530 P HA 0.139 nan 4.420 nan 0.000 0.270 530 P C 0.881 177.810 177.300 -0.619 0.000 1.223 530 P CA -0.335 62.221 63.100 -0.906 0.000 0.785 530 P CB 0.614 31.527 31.700 -1.311 0.000 0.923 531 N N 1.251 119.731 118.700 -0.368 0.000 2.272 531 N HA -0.225 4.514 4.740 -0.002 0.000 0.185 531 N C 1.350 176.828 175.510 -0.054 0.000 1.014 531 N CA 1.286 54.279 53.050 -0.096 0.000 0.870 531 N CB -0.725 37.713 38.487 -0.082 0.000 0.975 531 N HN 0.467 nan 8.380 nan 0.000 0.433 532 Y N -1.038 119.224 120.300 -0.063 0.000 2.639 532 Y HA 0.151 4.696 4.550 -0.008 0.000 0.297 532 Y C 1.195 177.023 175.900 -0.121 0.000 1.151 532 Y CA 0.281 58.328 58.100 -0.088 0.000 1.335 532 Y CB -0.809 37.585 38.460 -0.110 0.000 0.994 532 Y HN 0.081 nan 8.280 nan 0.000 0.548 533 L N -0.944 120.282 121.223 0.005 0.000 2.607 533 L HA 0.190 4.529 4.340 -0.002 0.000 0.228 533 L C -0.588 176.060 176.870 -0.370 0.000 1.123 533 L CA -0.130 54.608 54.840 -0.170 0.000 0.890 533 L CB -0.065 41.802 42.059 -0.320 0.000 1.103 533 L HN 0.080 nan 8.230 nan 0.000 0.468 534 Y N -0.241 120.023 120.300 -0.059 0.000 2.409 534 Y HA 0.281 4.836 4.550 0.009 0.000 0.339 534 Y C 0.644 176.522 175.900 -0.036 0.000 1.033 534 Y CA -0.992 57.073 58.100 -0.060 0.000 1.094 534 Y CB 0.891 39.296 38.460 -0.092 0.000 1.210 534 Y HN -0.077 nan 8.280 nan 0.000 0.456 535 N N 0.297 119.083 118.700 0.143 0.000 2.399 535 N HA -0.036 4.702 4.740 -0.002 0.000 0.250 535 N C 1.000 176.551 175.510 0.070 0.000 1.272 535 N CA 0.659 53.757 53.050 0.079 0.000 0.928 535 N CB 1.228 39.749 38.487 0.057 0.000 1.158 535 N HN 0.803 nan 8.380 nan 0.000 0.463 536 S N 1.563 117.285 115.700 0.036 0.000 2.442 536 S HA -0.117 4.352 4.470 -0.002 0.000 0.236 536 S C 1.297 175.906 174.600 0.014 0.000 1.007 536 S CA 0.629 58.840 58.200 0.018 0.000 0.965 536 S CB -0.175 63.032 63.200 0.010 0.000 0.773 536 S HN 0.551 nan 8.310 nan 0.000 0.504 537 N N 2.161 120.876 118.700 0.024 0.000 2.104 537 N HA -0.015 4.724 4.740 -0.002 0.000 0.190 537 N C 1.609 177.130 175.510 0.017 0.000 1.024 537 N CA 1.574 54.637 53.050 0.022 0.000 0.853 537 N CB -0.898 37.608 38.487 0.032 0.000 1.008 537 N HN 0.744 nan 8.380 nan 0.000 0.424 538 G N -0.817 108.002 108.800 0.032 0.000 2.179 538 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.220 538 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.220 538 G C -0.037 174.926 174.900 0.105 0.000 0.990 538 G CA -0.158 44.940 45.100 -0.004 0.000 0.646 538 G HN 0.287 nan 8.290 nan 0.000 0.517 539 N N 0.219 118.999 118.700 0.133 0.000 2.493 539 N HA 0.529 5.267 4.740 -0.002 0.000 0.275 539 N C 0.702 176.329 175.510 0.196 0.000 1.186 539 N CA -0.460 52.680 53.050 0.150 0.000 0.978 539 N CB 0.770 39.301 38.487 0.074 0.000 1.184 539 N HN 0.260 nan 8.380 nan 0.000 0.487 540 L N 1.308 122.585 121.223 0.090 0.000 2.499 540 L HA 0.121 4.460 4.340 -0.002 0.000 0.273 540 L C 1.009 177.845 176.870 -0.056 0.000 1.195 540 L CA -0.299 54.480 54.840 -0.102 0.000 0.882 540 L CB 0.163 42.128 42.059 -0.157 0.000 1.133 540 L HN 0.516 nan 8.230 nan 0.000 0.483 541 A N 3.230 126.000 122.820 -0.083 0.000 2.386 541 A HA 0.317 4.635 4.320 -0.002 0.000 0.248 541 A C 0.357 177.921 177.584 -0.035 0.000 1.082 541 A CA -0.344 51.673 52.037 -0.034 0.000 0.789 541 A CB 0.121 19.108 19.000 -0.022 0.000 1.025 541 A HN 0.693 nan 8.150 nan 0.000 0.490 542 T N 2.599 117.144 114.554 -0.015 0.000 2.888 542 T HA 0.287 4.636 4.350 -0.002 0.000 0.301 542 T C 0.337 175.029 174.700 -0.013 0.000 1.001 542 T CA 0.431 62.524 62.100 -0.012 0.000 1.147 542 T CB -0.010 68.856 68.868 -0.003 0.000 0.931 542 T HN 0.578 nan 8.240 nan 0.000 0.541 543 R N 3.835 124.328 120.500 -0.012 0.000 2.460 543 R HA 0.400 4.738 4.340 -0.002 0.000 0.303 543 R C -2.347 173.952 176.300 -0.002 0.000 0.968 543 R CA -2.051 54.044 56.100 -0.009 0.000 0.889 543 R CB 0.961 31.257 30.300 -0.006 0.000 1.123 543 R HN 0.437 nan 8.270 nan 0.000 0.455 544 P HA 0.077 nan 4.420 nan 0.000 0.272 544 P C -1.088 176.217 177.300 0.010 0.000 1.223 544 P CA -0.156 62.946 63.100 0.003 0.000 0.784 544 P CB 0.834 32.529 31.700 -0.007 0.000 0.923 545 K N 1.618 122.028 120.400 0.016 0.000 2.270 545 K HA 0.506 4.825 4.320 -0.002 0.000 0.255 545 K C -0.197 176.419 176.600 0.027 0.000 0.936 545 K CA -0.745 55.552 56.287 0.017 0.000 0.809 545 K CB 1.481 33.990 32.500 0.016 0.000 1.131 545 K HN 0.384 nan 8.250 nan 0.000 0.427 546 I N 3.347 123.930 120.570 0.022 0.000 2.281 546 I HA -0.007 4.162 4.170 -0.002 0.000 0.293 546 I C 1.439 177.574 176.117 0.030 0.000 1.085 546 I CA -0.097 61.223 61.300 0.034 0.000 1.257 546 I CB 0.793 38.809 38.000 0.028 0.000 1.430 546 I HN 0.818 nan 8.210 nan 0.000 0.489 547 T N 1.430 116.006 114.554 0.037 0.000 3.043 547 T HA 0.171 4.520 4.350 -0.002 0.000 0.263 547 T C 0.848 175.562 174.700 0.023 0.000 1.094 547 T CA 0.348 62.464 62.100 0.027 0.000 1.127 547 T CB -0.000 68.884 68.868 0.027 0.000 0.905 547 T HN 0.626 nan 8.240 nan 0.000 0.490 548 R N 0.801 121.319 120.500 0.031 0.000 2.594 548 R HA 0.670 5.009 4.340 -0.002 0.000 0.265 548 R C -0.624 175.694 176.300 0.029 0.000 1.070 548 R CA -0.405 55.708 56.100 0.023 0.000 0.909 548 R CB 0.519 30.827 30.300 0.015 0.000 1.243 548 R HN 0.580 nan 8.270 nan 0.000 0.455 549 T N -1.494 113.072 114.554 0.019 0.000 2.848 549 T HA 0.428 4.777 4.350 -0.002 0.000 0.285 549 T C 1.208 175.904 174.700 -0.007 0.000 0.995 549 T CA 0.146 62.255 62.100 0.015 0.000 0.970 549 T CB 1.765 70.650 68.868 0.028 0.000 0.976 549 T HN 1.347 nan 8.240 nan 0.000 0.441 550 S N 2.125 117.807 115.700 -0.031 0.000 2.400 550 S HA 0.039 4.508 4.470 -0.002 0.000 0.232 550 S C 0.965 175.543 174.600 -0.036 0.000 1.025 550 S CA 1.102 59.276 58.200 -0.043 0.000 0.993 550 S CB -0.472 62.685 63.200 -0.072 0.000 0.808 550 S HN 1.119 nan 8.310 nan 0.000 0.478 551 T N -0.910 113.624 114.554 -0.034 0.000 2.840 551 T HA 0.395 4.744 4.350 -0.002 0.000 0.317 551 T C -0.847 173.856 174.700 0.005 0.000 1.401 551 T CA -0.674 61.415 62.100 -0.019 0.000 1.028 551 T CB 1.837 70.686 68.868 -0.033 0.000 1.317 551 T HN 0.164 nan 8.240 nan 0.000 0.495 552 Q N 0.711 120.524 119.800 0.022 0.000 2.319 552 Q HA 0.365 4.703 4.340 -0.002 0.000 0.209 552 Q C -0.071 175.968 176.000 0.065 0.000 0.884 552 Q CA -0.116 55.719 55.803 0.054 0.000 0.938 552 Q CB 0.977 29.751 28.738 0.059 0.000 1.098 552 Q HN 0.380 nan 8.270 nan 0.000 0.517 553 S N 0.214 115.933 115.700 0.032 0.000 2.571 553 S HA 0.586 5.054 4.470 -0.002 0.000 0.284 553 S C -1.685 172.912 174.600 -0.006 0.000 1.128 553 S CA -0.592 57.621 58.200 0.021 0.000 0.970 553 S CB 1.836 65.044 63.200 0.014 0.000 1.039 553 S HN 0.041 nan 8.310 nan 0.000 0.485 554 V N 5.186 125.092 119.914 -0.014 0.000 2.888 554 V HA 0.589 4.707 4.120 -0.002 0.000 0.309 554 V C -1.142 174.928 176.094 -0.041 0.000 1.114 554 V CA -0.806 61.472 62.300 -0.037 0.000 0.940 554 V CB 2.155 33.949 31.823 -0.049 0.000 1.021 554 V HN 0.923 nan 8.190 nan 0.000 0.426 555 K N 3.355 123.728 120.400 -0.045 0.000 2.185 555 K HA 0.515 4.834 4.320 -0.002 0.000 0.271 555 K C -0.264 176.303 176.600 -0.055 0.000 1.013 555 K CA -0.386 55.875 56.287 -0.043 0.000 0.943 555 K CB 1.604 34.081 32.500 -0.039 0.000 0.998 555 K HN 0.781 nan 8.250 nan 0.000 0.468 556 V N 0.097 119.978 119.914 -0.055 0.000 2.720 556 V HA 0.129 4.248 4.120 -0.002 0.000 0.307 556 V C 1.138 177.199 176.094 -0.056 0.000 1.071 556 V CA 0.691 62.952 62.300 -0.066 0.000 1.199 556 V CB -0.134 31.655 31.823 -0.057 0.000 0.900 556 V HN 1.071 nan 8.190 nan 0.000 0.494 557 G N 2.321 111.088 108.800 -0.056 0.000 2.205 557 G HA2 -0.112 3.847 3.960 -0.002 0.000 0.261 557 G HA3 -0.112 3.847 3.960 -0.002 0.000 0.261 557 G C 0.702 175.574 174.900 -0.047 0.000 0.980 557 G CA 0.205 45.278 45.100 -0.045 0.000 0.632 557 G HN 1.941 nan 8.290 nan 0.000 0.533 558 G N -0.403 108.363 108.800 -0.056 0.000 2.507 558 G HA2 0.579 4.538 3.960 -0.002 0.000 0.271 558 G HA3 0.579 4.538 3.960 -0.002 0.000 0.271 558 G C 0.067 174.908 174.900 -0.099 0.000 1.189 558 G CA -0.540 44.518 45.100 -0.070 0.000 0.859 558 G HN 0.479 nan 8.290 nan 0.000 0.542 559 R N -0.310 120.112 120.500 -0.129 0.000 2.540 559 R HA 0.523 4.861 4.340 -0.002 0.000 0.287 559 R C -0.587 175.530 176.300 -0.305 0.000 0.980 559 R CA -0.545 55.428 56.100 -0.210 0.000 0.966 559 R CB 1.802 32.008 30.300 -0.157 0.000 1.106 559 R HN 0.356 nan 8.270 nan 0.000 0.480 560 I N 1.189 121.410 120.570 -0.581 0.000 2.465 560 I HA 0.265 4.434 4.170 -0.002 0.000 0.291 560 I C -0.360 175.425 176.117 -0.552 0.000 1.014 560 I CA -0.571 60.368 61.300 -0.601 0.000 1.093 560 I CB 2.528 40.063 38.000 -0.775 0.000 1.267 560 I HN 0.477 nan 8.210 nan 0.000 0.431 561 T N 6.855 121.250 114.554 -0.265 0.000 2.823 561 T HA 0.697 5.046 4.350 -0.002 0.000 0.279 561 T C -0.318 174.353 174.700 -0.049 0.000 0.998 561 T CA -0.411 61.608 62.100 -0.133 0.000 0.994 561 T CB 1.426 70.242 68.868 -0.087 0.000 0.960 561 T HN 0.497 nan 8.240 nan 0.000 0.448 562 I N -0.988 119.608 120.570 0.043 0.000 2.934 562 I HA 0.859 5.027 4.170 -0.002 0.000 0.306 562 I C -0.603 175.584 176.117 0.117 0.000 1.110 562 I CA -0.860 60.497 61.300 0.095 0.000 1.019 562 I CB 2.480 40.579 38.000 0.164 0.000 1.227 562 I HN 0.381 nan 8.210 nan 0.000 0.434 563 S N 1.573 117.330 115.700 0.094 0.000 2.532 563 S HA 0.775 5.244 4.470 -0.002 0.000 0.301 563 S C -0.264 174.407 174.600 0.120 0.000 1.083 563 S CA -0.577 57.682 58.200 0.098 0.000 1.025 563 S CB 1.943 65.168 63.200 0.042 0.000 1.056 563 S HN 0.885 nan 8.310 nan 0.000 0.494 564 T N -1.640 113.006 114.554 0.153 0.000 2.930 564 T HA 0.455 4.803 4.350 -0.002 0.000 0.290 564 T C 0.106 174.861 174.700 0.091 0.000 1.052 564 T CA -0.814 61.360 62.100 0.124 0.000 1.017 564 T CB 1.311 70.271 68.868 0.153 0.000 1.137 564 T HN 0.526 nan 8.240 nan 0.000 0.511 565 D N -0.207 120.231 120.400 0.063 0.000 2.340 565 D HA 0.119 4.757 4.640 -0.002 0.000 0.220 565 D C 0.494 176.824 176.300 0.049 0.000 1.039 565 D CA -0.099 53.929 54.000 0.045 0.000 0.866 565 D CB -0.204 40.614 40.800 0.030 0.000 0.913 565 D HN 0.673 nan 8.370 nan 0.000 0.523 566 S N -2.059 113.682 115.700 0.069 0.000 2.611 566 S HA 0.462 4.930 4.470 -0.002 0.000 0.268 566 S C -0.728 173.938 174.600 0.110 0.000 1.156 566 S CA -0.983 57.257 58.200 0.067 0.000 0.817 566 S CB 1.198 64.421 63.200 0.038 0.000 1.122 566 S HN -0.056 nan 8.310 nan 0.000 0.466 567 S N 1.006 116.770 115.700 0.106 0.000 2.549 567 S HA 0.419 4.888 4.470 -0.002 0.000 0.279 567 S C -0.223 174.402 174.600 0.043 0.000 1.321 567 S CA -0.395 57.900 58.200 0.158 0.000 1.054 567 S CB -0.235 63.044 63.200 0.131 0.000 0.899 567 S HN 0.502 nan 8.310 nan 0.000 0.497 568 I N 2.680 123.201 120.570 -0.080 0.000 2.377 568 I HA 0.286 4.455 4.170 -0.002 0.000 0.293 568 I C 1.054 177.029 176.117 -0.236 0.000 0.987 568 I CA -0.047 61.078 61.300 -0.292 0.000 1.185 568 I CB 1.538 39.142 38.000 -0.660 0.000 1.341 568 I HN 0.585 nan 8.210 nan 0.000 0.455 569 S N 4.603 120.213 115.700 -0.149 0.000 2.468 569 S HA 0.230 4.699 4.470 -0.002 0.000 0.226 569 S C 0.523 175.057 174.600 -0.109 0.000 1.051 569 S CA 0.511 58.653 58.200 -0.096 0.000 0.943 569 S CB 0.527 63.691 63.200 -0.060 0.000 0.810 569 S HN 0.534 nan 8.310 nan 0.000 0.509 570 K N -0.278 120.042 120.400 -0.133 0.000 2.536 570 K HA 0.754 5.073 4.320 -0.002 0.000 0.269 570 K C -1.582 174.933 176.600 -0.142 0.000 0.965 570 K CA -0.591 55.625 56.287 -0.119 0.000 0.860 570 K CB 2.405 34.850 32.500 -0.093 0.000 1.423 570 K HN 0.153 nan 8.250 nan 0.000 0.438 571 A N 0.659 123.394 122.820 -0.140 0.000 2.572 571 A HA 0.789 5.108 4.320 -0.002 0.000 0.295 571 A C -1.355 176.138 177.584 -0.152 0.000 1.072 571 A CA -0.658 51.283 52.037 -0.159 0.000 0.691 571 A CB 1.705 20.565 19.000 -0.234 0.000 1.291 571 A HN 0.664 nan 8.150 nan 0.000 0.404 572 S N 0.355 115.995 115.700 -0.099 0.000 2.556 572 S HA 0.783 5.252 4.470 -0.002 0.000 0.271 572 S C -1.241 173.369 174.600 0.018 0.000 1.135 572 S CA -0.687 57.487 58.200 -0.044 0.000 0.858 572 S CB 1.072 64.287 63.200 0.026 0.000 1.114 572 S HN 0.756 nan 8.310 nan 0.000 0.468 573 L N 2.239 123.496 121.223 0.057 0.000 2.307 573 L HA 0.588 4.927 4.340 -0.002 0.000 0.284 573 L C -0.960 176.204 176.870 0.490 0.000 1.023 573 L CA -0.934 54.044 54.840 0.230 0.000 0.810 573 L CB 1.361 43.467 42.059 0.079 0.000 1.231 573 L HN 0.597 nan 8.230 nan 0.000 0.423 574 I N 3.556 124.406 120.570 0.465 0.000 2.382 574 I HA 0.361 4.529 4.170 -0.002 0.000 0.286 574 I C 0.164 176.308 176.117 0.044 0.000 1.002 574 I CA -0.503 60.971 61.300 0.289 0.000 1.135 574 I CB 1.547 39.685 38.000 0.230 0.000 1.288 574 I HN 0.658 nan 8.210 nan 0.000 0.448 575 R N 4.596 124.839 120.500 -0.428 0.000 2.491 575 R HA 0.190 4.529 4.340 -0.002 0.000 0.283 575 R C -0.796 175.313 176.300 -0.317 0.000 1.072 575 R CA -0.221 55.345 56.100 -0.891 0.000 1.048 575 R CB 0.503 29.910 30.300 -1.487 0.000 0.983 575 R HN 0.340 nan 8.270 nan 0.000 0.450 576 Y N 1.165 121.361 120.300 -0.173 0.000 2.683 576 Y HA 0.079 4.625 4.550 -0.006 0.000 0.340 576 Y C 1.287 177.172 175.900 -0.024 0.000 1.245 576 Y CA 1.345 59.430 58.100 -0.026 0.000 1.485 576 Y CB 0.712 39.190 38.460 0.030 0.000 1.328 576 Y HN 0.700 nan 8.280 nan 0.000 0.603 577 G N 0.764 109.667 108.800 0.172 0.000 2.461 577 G HA2 0.605 4.563 3.960 -0.002 0.000 0.329 577 G HA3 0.605 4.563 3.960 -0.002 0.000 0.329 577 G C -0.946 174.023 174.900 0.115 0.000 1.170 577 G CA -0.613 44.552 45.100 0.109 0.000 0.935 577 G HN 0.638 nan 8.290 nan 0.000 0.492 578 T N -2.795 111.807 114.554 0.080 0.000 2.903 578 T HA 0.794 5.142 4.350 -0.002 0.000 0.299 578 T C -0.634 174.074 174.700 0.013 0.000 1.093 578 T CA -0.491 61.650 62.100 0.068 0.000 1.002 578 T CB 2.096 71.030 68.868 0.110 0.000 1.127 578 T HN 1.717 nan 8.240 nan 0.000 0.488 579 A N 1.184 123.976 122.820 -0.047 0.000 2.488 579 A HA 0.847 5.166 4.320 -0.002 0.000 0.295 579 A C -0.408 177.063 177.584 -0.188 0.000 1.045 579 A CA -0.731 51.249 52.037 -0.096 0.000 0.703 579 A CB 1.820 20.783 19.000 -0.061 0.000 1.271 579 A HN 1.231 nan 8.150 nan 0.000 0.400 580 T N 0.572 115.014 114.554 -0.187 0.000 3.047 580 T HA 0.506 4.854 4.350 -0.002 0.000 0.340 580 T C -0.512 174.056 174.700 -0.221 0.000 1.421 580 T CA -0.056 61.908 62.100 -0.226 0.000 1.090 580 T CB 0.391 69.142 68.868 -0.196 0.000 1.292 580 T HN 1.456 nan 8.240 nan 0.000 0.480 581 H N 2.074 120.844 119.070 -0.501 0.000 2.741 581 H HA -0.225 4.330 4.556 -0.002 0.000 0.305 581 H C 1.299 176.244 175.328 -0.637 0.000 1.169 581 H CA 2.684 58.327 56.048 -0.676 0.000 1.144 581 H CB -1.892 27.292 29.762 -0.963 0.000 1.397 581 H HN 1.365 nan 8.280 nan 0.000 0.409 582 T N -6.432 107.905 114.554 -0.362 0.000 6.424 582 T HA -0.254 4.094 4.350 -0.002 0.000 0.279 582 T C 0.297 174.824 174.700 -0.289 0.000 2.176 582 T CA 0.710 62.612 62.100 -0.329 0.000 3.628 582 T CB -2.039 66.611 68.868 -0.362 0.000 1.165 582 T HN 0.437 nan 8.240 nan 0.000 1.080 583 V N 2.623 122.388 119.914 -0.248 0.000 2.465 583 V HA 0.717 4.836 4.120 -0.002 0.000 0.279 583 V C 0.326 176.342 176.094 -0.131 0.000 1.045 583 V CA -0.228 61.969 62.300 -0.171 0.000 0.938 583 V CB 1.518 33.277 31.823 -0.106 0.000 0.986 583 V HN 0.624 nan 8.190 nan 0.000 0.467 584 N N 2.745 121.372 118.700 -0.122 0.000 2.607 584 N HA 0.143 4.881 4.740 -0.002 0.000 0.271 584 N C 0.495 175.954 175.510 -0.085 0.000 1.142 584 N CA 0.087 53.097 53.050 -0.067 0.000 0.810 584 N CB 1.937 40.407 38.487 -0.028 0.000 1.306 584 N HN 0.719 nan 8.380 nan 0.000 0.536 585 T N -1.557 112.950 114.554 -0.077 0.000 3.107 585 T HA 0.160 4.509 4.350 -0.002 0.000 0.249 585 T C 0.585 175.284 174.700 -0.001 0.000 1.096 585 T CA 0.420 62.450 62.100 -0.117 0.000 1.012 585 T CB 0.381 69.195 68.868 -0.090 0.000 0.977 585 T HN 0.176 nan 8.240 nan 0.000 0.527 586 D N 1.727 122.142 120.400 0.026 0.000 2.262 586 D HA 0.027 4.666 4.640 -0.002 0.000 0.212 586 D C 1.239 177.536 176.300 -0.005 0.000 0.964 586 D CA 0.347 54.368 54.000 0.035 0.000 0.875 586 D CB 0.032 40.864 40.800 0.054 0.000 0.996 586 D HN 0.728 nan 8.370 nan 0.000 0.497 587 Q N 1.649 121.462 119.800 0.022 0.000 2.392 587 Q HA 0.257 4.595 4.340 -0.002 0.000 0.262 587 Q C -0.117 175.920 176.000 0.063 0.000 1.003 587 Q CA -0.055 55.754 55.803 0.009 0.000 0.888 587 Q CB 0.854 29.628 28.738 0.060 0.000 1.260 587 Q HN 0.069 nan 8.270 nan 0.000 0.435 588 R N 0.142 120.649 120.500 0.012 0.000 2.765 588 R HA 0.478 4.816 4.340 -0.002 0.000 0.277 588 R C -1.780 174.619 176.300 0.165 0.000 1.028 588 R CA -1.126 55.050 56.100 0.126 0.000 0.860 588 R CB 1.164 31.579 30.300 0.192 0.000 1.270 588 R HN 0.789 nan 8.270 nan 0.000 0.484 589 R N 1.754 122.396 120.500 0.237 0.000 2.599 589 R HA 0.571 4.910 4.340 -0.002 0.000 0.295 589 R C -1.202 175.265 176.300 0.278 0.000 0.963 589 R CA -0.722 55.544 56.100 0.277 0.000 0.883 589 R CB 1.646 32.066 30.300 0.200 0.000 1.171 589 R HN 0.697 nan 8.270 nan 0.000 0.450 590 I N 6.258 126.998 120.570 0.283 0.000 2.382 590 I HA 0.350 4.518 4.170 -0.002 0.000 0.285 590 I C -2.061 174.081 176.117 0.041 0.000 1.007 590 I CA -2.534 58.843 61.300 0.128 0.000 1.142 590 I CB 2.159 40.172 38.000 0.022 0.000 1.289 590 I HN 0.454 nan 8.210 nan 0.000 0.453 591 P HA 0.207 nan 4.420 nan 0.000 0.276 591 P C -0.916 176.343 177.300 -0.068 0.000 1.230 591 P CA -0.101 62.988 63.100 -0.018 0.000 0.776 591 P CB 0.942 32.646 31.700 0.006 0.000 0.888 592 L N 2.564 123.707 121.223 -0.132 0.000 2.322 592 L HA 0.368 4.707 4.340 -0.002 0.000 0.279 592 L C 0.812 177.633 176.870 -0.081 0.000 1.036 592 L CA -0.422 54.308 54.840 -0.183 0.000 0.807 592 L CB 1.167 42.939 42.059 -0.477 0.000 1.226 592 L HN 0.246 nan 8.230 nan 0.000 0.433 593 T N 4.355 118.904 114.554 -0.008 0.000 2.727 593 T HA 0.455 4.803 4.350 -0.002 0.000 0.298 593 T C 0.002 174.756 174.700 0.090 0.000 0.942 593 T CA -0.333 61.787 62.100 0.033 0.000 0.997 593 T CB 0.145 69.038 68.868 0.041 0.000 0.917 593 T HN 0.246 nan 8.240 nan 0.000 0.487 594 L N 3.297 124.569 121.223 0.082 0.000 2.312 594 L HA 0.406 4.745 4.340 -0.002 0.000 0.281 594 L C 0.734 177.699 176.870 0.158 0.000 1.070 594 L CA -0.612 54.319 54.840 0.152 0.000 0.805 594 L CB 1.022 43.150 42.059 0.114 0.000 1.174 594 L HN 0.498 nan 8.230 nan 0.000 0.434 595 T N 1.868 116.531 114.554 0.181 0.000 2.749 595 T HA 0.157 4.505 4.350 -0.002 0.000 0.287 595 T C 0.012 174.813 174.700 0.168 0.000 0.970 595 T CA -0.453 61.726 62.100 0.132 0.000 0.980 595 T CB 0.602 69.516 68.868 0.077 0.000 0.924 595 T HN 0.355 nan 8.240 nan 0.000 0.456 596 N N 3.191 121.969 118.700 0.131 0.000 2.402 596 N HA 0.102 4.840 4.740 -0.002 0.000 0.252 596 N C 0.589 176.035 175.510 -0.107 0.000 1.118 596 N CA -0.346 52.707 53.050 0.005 0.000 0.945 596 N CB 0.393 38.923 38.487 0.072 0.000 1.147 596 N HN 0.358 nan 8.380 nan 0.000 0.495 597 N N 2.396 120.970 118.700 -0.210 0.000 2.461 597 N HA 0.105 4.844 4.740 -0.002 0.000 0.188 597 N C 0.605 176.018 175.510 -0.162 0.000 1.134 597 N CA 0.596 53.555 53.050 -0.152 0.000 0.878 597 N CB -0.134 38.270 38.487 -0.139 0.000 0.972 597 N HN 0.761 nan 8.380 nan 0.000 0.456 598 G N -0.462 108.205 108.800 -0.222 0.000 2.733 598 G HA2 0.129 4.087 3.960 -0.002 0.000 0.686 598 G HA3 0.129 4.087 3.960 -0.002 0.000 0.686 598 G C 0.484 175.274 174.900 -0.184 0.000 1.373 598 G CA -0.083 44.916 45.100 -0.168 0.000 0.838 598 G HN 0.633 nan 8.290 nan 0.000 0.588 599 G N 0.198 108.922 108.800 -0.127 0.000 2.249 599 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.273 599 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.273 599 G C 0.705 175.540 174.900 -0.109 0.000 1.036 599 G CA 1.002 46.047 45.100 -0.092 0.000 0.824 599 G HN 2.509 nan 8.290 nan 0.000 0.504 600 N N -1.695 116.904 118.700 -0.168 0.000 2.740 600 N HA -0.176 4.562 4.740 -0.002 0.000 0.248 600 N C 0.149 175.546 175.510 -0.188 0.000 1.062 600 N CA 1.692 54.673 53.050 -0.115 0.000 0.704 600 N CB -1.346 37.192 38.487 0.085 0.000 0.968 600 N HN 1.150 nan 8.380 nan 0.000 0.547 601 S N -0.118 115.309 115.700 -0.456 0.000 2.473 601 S HA 0.736 5.205 4.470 -0.002 0.000 0.307 601 S C -1.061 173.218 174.600 -0.534 0.000 1.094 601 S CA -0.509 57.514 58.200 -0.296 0.000 1.070 601 S CB 0.911 64.008 63.200 -0.171 0.000 1.019 601 S HN 0.213 nan 8.310 nan 0.000 0.480 602 Y N 1.364 121.681 120.300 0.027 0.000 2.524 602 Y HA 0.610 5.158 4.550 -0.004 0.000 0.347 602 Y C 0.314 176.237 175.900 0.039 0.000 1.005 602 Y CA -0.784 57.346 58.100 0.050 0.000 1.025 602 Y CB 2.414 40.926 38.460 0.088 0.000 1.275 602 Y HN 0.571 nan 8.280 nan 0.000 0.460 603 S N 2.195 118.012 115.700 0.195 0.000 2.599 603 S HA 0.838 5.306 4.470 -0.002 0.000 0.294 603 S C -1.556 173.141 174.600 0.161 0.000 1.094 603 S CA -0.806 57.423 58.200 0.048 0.000 0.931 603 S CB 1.706 64.888 63.200 -0.030 0.000 1.093 603 S HN 0.520 nan 8.310 nan 0.000 0.488 604 F N -0.430 119.534 119.950 0.024 0.000 2.693 604 F HA 0.637 5.162 4.527 -0.005 0.000 0.309 604 F C -1.020 174.768 175.800 -0.020 0.000 1.129 604 F CA -1.028 56.974 58.000 0.003 0.000 0.948 604 F CB 1.344 40.342 39.000 -0.003 0.000 1.315 604 F HN 0.501 nan 8.300 nan 0.000 0.447 605 Q N 2.149 122.066 119.800 0.195 0.000 2.256 605 Q HA 0.633 4.971 4.340 -0.002 0.000 0.257 605 Q C -1.268 174.844 176.000 0.187 0.000 0.936 605 Q CA -0.995 54.862 55.803 0.090 0.000 0.903 605 Q CB 2.094 30.854 28.738 0.036 0.000 1.263 605 Q HN 0.779 nan 8.270 nan 0.000 0.440 606 V N 6.427 126.406 119.914 0.107 0.000 2.572 606 V HA 0.134 4.252 4.120 -0.002 0.000 0.291 606 V C -2.049 174.022 176.094 -0.038 0.000 1.039 606 V CA -1.208 61.104 62.300 0.020 0.000 1.055 606 V CB 0.639 32.428 31.823 -0.056 0.000 0.969 606 V HN 0.837 nan 8.190 nan 0.000 0.482 607 P HA -0.044 nan 4.420 nan 0.000 0.263 607 P C 0.813 178.069 177.300 -0.073 0.000 1.168 607 P CA 0.533 63.593 63.100 -0.067 0.000 0.759 607 P CB 0.438 32.090 31.700 -0.081 0.000 0.782 608 S N 0.790 116.453 115.700 -0.061 0.000 2.489 608 S HA -0.067 4.402 4.470 -0.002 0.000 0.228 608 S C 0.750 175.307 174.600 -0.072 0.000 0.995 608 S CA 0.467 58.631 58.200 -0.060 0.000 0.934 608 S CB -0.321 62.849 63.200 -0.049 0.000 0.771 608 S HN 0.418 nan 8.310 nan 0.000 0.522 609 D N 2.440 122.784 120.400 -0.094 0.000 2.347 609 D HA 0.249 4.888 4.640 -0.002 0.000 0.235 609 D C 1.016 177.250 176.300 -0.109 0.000 1.149 609 D CA 0.109 54.035 54.000 -0.123 0.000 0.850 609 D CB 1.608 42.294 40.800 -0.190 0.000 1.061 609 D HN 0.331 nan 8.370 nan 0.000 0.487 610 S N 1.799 117.455 115.700 -0.073 0.000 2.555 610 S HA -0.017 4.452 4.470 -0.002 0.000 0.230 610 S C 1.822 176.424 174.600 0.003 0.000 0.978 610 S CA 0.460 58.649 58.200 -0.017 0.000 0.934 610 S CB 0.124 63.327 63.200 0.005 0.000 0.766 610 S HN 0.463 nan 8.310 nan 0.000 0.533 611 G N 0.981 109.722 108.800 -0.099 0.000 2.484 611 G HA2 0.046 4.004 3.960 -0.002 0.000 0.218 611 G HA3 0.046 4.004 3.960 -0.002 0.000 0.218 611 G C 1.202 176.016 174.900 -0.144 0.000 1.130 611 G CA 0.775 45.792 45.100 -0.138 0.000 0.784 611 G HN 0.480 nan 8.290 nan 0.000 0.543 612 V N 0.826 120.628 119.914 -0.186 0.000 2.391 612 V HA 0.295 4.414 4.120 -0.002 0.000 0.237 612 V C 2.088 178.289 176.094 0.180 0.000 1.046 612 V CA 1.234 63.513 62.300 -0.034 0.000 1.053 612 V CB -0.352 31.396 31.823 -0.125 0.000 0.704 612 V HN 0.314 nan 8.190 nan 0.000 0.475 613 A N 1.190 124.052 122.820 0.071 0.000 3.056 613 A HA 0.382 4.700 4.320 -0.002 0.000 0.274 613 A C 0.204 177.957 177.584 0.282 0.000 1.661 613 A CA -0.120 51.947 52.037 0.050 0.000 1.363 613 A CB -0.989 17.879 19.000 -0.219 0.000 1.139 613 A HN 0.461 nan 8.150 nan 0.000 0.598 614 L N 2.183 123.738 121.223 0.553 0.000 2.601 614 L HA 0.042 4.381 4.340 -0.002 0.000 0.277 614 L C -1.967 175.199 176.870 0.493 0.000 1.219 614 L CA -1.052 54.049 54.840 0.436 0.000 0.915 614 L CB 0.688 42.978 42.059 0.385 0.000 1.160 614 L HN 0.346 nan 8.230 nan 0.000 0.494 615 P HA 0.188 nan 4.420 nan 0.000 0.267 615 P C 0.132 177.579 177.300 0.245 0.000 1.200 615 P CA 0.204 63.449 63.100 0.242 0.000 0.772 615 P CB 0.891 32.660 31.700 0.114 0.000 0.855 616 G N 1.006 109.936 108.800 0.217 0.000 2.320 616 G HA2 0.078 4.037 3.960 -0.002 0.000 0.274 616 G HA3 0.078 4.037 3.960 -0.002 0.000 0.274 616 G C -1.871 173.110 174.900 0.134 0.000 1.324 616 G CA -0.795 44.347 45.100 0.070 0.000 0.957 616 G HN 0.236 nan 8.290 nan 0.000 0.481 617 Y N -0.282 120.154 120.300 0.226 0.000 2.308 617 Y HA 0.664 5.213 4.550 -0.000 0.000 0.329 617 Y C -0.027 176.142 175.900 0.450 0.000 1.111 617 Y CA 0.053 58.346 58.100 0.322 0.000 1.179 617 Y CB 1.242 39.746 38.460 0.074 0.000 1.201 617 Y HN 0.561 nan 8.280 nan 0.000 0.483 618 W N 2.852 124.452 121.300 0.500 0.000 2.864 618 W HA 0.669 5.326 4.660 -0.006 0.000 0.343 618 W C -0.985 175.634 176.519 0.168 0.000 1.109 618 W CA -1.103 56.413 57.345 0.285 0.000 1.192 618 W CB 1.266 30.826 29.460 0.167 0.000 1.426 618 W HN 0.234 nan 8.180 nan 0.000 0.529 619 M N 3.049 122.704 119.600 0.091 0.000 2.180 619 M HA 0.335 4.814 4.480 -0.002 0.000 0.350 619 M C -0.715 175.521 176.300 -0.107 0.000 1.125 619 M CA -1.033 54.163 55.300 -0.174 0.000 1.031 619 M CB 0.957 33.283 32.600 -0.456 0.000 1.623 619 M HN 0.217 nan 8.290 nan 0.000 0.451 620 L N 4.688 125.803 121.223 -0.181 0.000 2.265 620 L HA 0.574 4.913 4.340 -0.002 0.000 0.288 620 L C -1.751 174.910 176.870 -0.349 0.000 1.058 620 L CA 0.343 55.098 54.840 -0.142 0.000 0.809 620 L CB 0.224 42.280 42.059 -0.006 0.000 1.179 620 L HN 0.430 nan 8.230 nan 0.000 0.429 621 F N 4.892 124.806 119.950 -0.060 0.000 2.482 621 F HA 0.631 5.152 4.527 -0.009 0.000 0.331 621 F C -0.029 175.699 175.800 -0.121 0.000 1.115 621 F CA -0.705 57.242 58.000 -0.088 0.000 0.955 621 F CB 2.085 41.016 39.000 -0.116 0.000 1.136 621 F HN 0.401 nan 8.300 nan 0.000 0.452 622 V N 1.261 121.217 119.914 0.069 0.000 2.715 622 V HA 0.809 4.927 4.120 -0.002 0.000 0.310 622 V C -0.665 175.402 176.094 -0.045 0.000 1.054 622 V CA -0.878 61.403 62.300 -0.031 0.000 0.928 622 V CB 1.838 33.619 31.823 -0.069 0.000 1.007 622 V HN 0.686 nan 8.190 nan 0.000 0.437 623 M N 4.756 124.297 119.600 -0.097 0.000 2.321 623 M HA 0.505 4.983 4.480 -0.002 0.000 0.315 623 M C -0.198 176.042 176.300 -0.100 0.000 1.052 623 M CA -0.387 54.848 55.300 -0.109 0.000 0.936 623 M CB 1.648 34.164 32.600 -0.141 0.000 1.639 623 M HN 1.018 nan 8.290 nan 0.000 0.433 624 N N 0.487 119.142 118.700 -0.074 0.000 2.322 624 N HA 0.215 4.953 4.740 -0.002 0.000 0.270 624 N C 0.706 176.187 175.510 -0.049 0.000 1.286 624 N CA -0.005 53.013 53.050 -0.054 0.000 0.948 624 N CB -0.010 38.459 38.487 -0.030 0.000 1.164 624 N HN 0.651 nan 8.380 nan 0.000 0.551 625 S N -2.220 113.462 115.700 -0.030 0.000 2.419 625 S HA -0.118 4.351 4.470 -0.002 0.000 0.233 625 S C 1.681 176.268 174.600 -0.022 0.000 1.016 625 S CA 0.649 58.835 58.200 -0.023 0.000 0.974 625 S CB -0.980 62.215 63.200 -0.008 0.000 0.786 625 S HN 0.786 nan 8.310 nan 0.000 0.492 626 A N 0.970 123.778 122.820 -0.020 0.000 2.206 626 A HA 0.498 4.817 4.320 -0.002 0.000 0.211 626 A C 1.865 179.437 177.584 -0.021 0.000 1.158 626 A CA 0.728 52.756 52.037 -0.015 0.000 0.761 626 A CB -1.250 17.746 19.000 -0.007 0.000 0.801 626 A HN 1.548 nan 8.150 nan 0.000 0.473 627 G N -1.741 107.035 108.800 -0.041 0.000 2.143 627 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.249 627 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.249 627 G C 0.135 174.985 174.900 -0.084 0.000 0.981 627 G CA 0.127 45.189 45.100 -0.062 0.000 0.665 627 G HN 0.824 nan 8.290 nan 0.000 0.528 628 V N 2.986 122.862 119.914 -0.063 0.000 2.455 628 V HA 0.435 4.553 4.120 -0.002 0.000 0.273 628 V C -1.110 174.914 176.094 -0.117 0.000 1.045 628 V CA -1.154 61.105 62.300 -0.067 0.000 0.976 628 V CB 1.289 33.096 31.823 -0.027 0.000 0.993 628 V HN 0.271 nan 8.190 nan 0.000 0.475 629 P HA 0.222 nan 4.420 nan 0.000 0.282 629 P C -0.072 177.226 177.300 -0.003 0.000 1.249 629 P CA -0.263 62.748 63.100 -0.148 0.000 0.806 629 P CB 1.214 32.698 31.700 -0.360 0.000 0.984 630 S N 1.760 117.497 115.700 0.063 0.000 2.587 630 S HA 0.190 4.659 4.470 -0.002 0.000 0.260 630 S C 0.886 175.586 174.600 0.166 0.000 1.353 630 S CA -0.637 57.610 58.200 0.078 0.000 0.995 630 S CB -0.361 62.865 63.200 0.044 0.000 0.912 630 S HN 0.486 nan 8.310 nan 0.000 0.568 631 V N -1.106 118.861 119.914 0.088 0.000 3.185 631 V HA 0.676 4.795 4.120 -0.002 0.000 0.305 631 V C 0.655 176.679 176.094 -0.117 0.000 1.090 631 V CA -0.661 61.688 62.300 0.080 0.000 1.107 631 V CB -0.603 31.241 31.823 0.036 0.000 1.061 631 V HN 1.272 nan 8.190 nan 0.000 0.480 632 A N 3.004 125.620 122.820 -0.340 0.000 2.440 632 A HA 0.541 4.860 4.320 -0.002 0.000 0.251 632 A C 0.566 177.968 177.584 -0.302 0.000 1.089 632 A CA -0.054 51.545 52.037 -0.731 0.000 0.779 632 A CB -0.175 18.318 19.000 -0.845 0.000 1.022 632 A HN 1.074 nan 8.150 nan 0.000 0.492 633 S N 1.153 116.705 115.700 -0.248 0.000 2.480 633 S HA 0.408 4.876 4.470 -0.002 0.000 0.286 633 S C 0.205 174.799 174.600 -0.010 0.000 1.180 633 S CA -0.319 57.835 58.200 -0.078 0.000 1.075 633 S CB 0.982 64.167 63.200 -0.025 0.000 0.996 633 S HN 0.733 nan 8.310 nan 0.000 0.487 634 T N 4.812 119.410 114.554 0.073 0.000 2.761 634 T HA 0.343 4.691 4.350 -0.002 0.000 0.296 634 T C -0.190 174.640 174.700 0.217 0.000 0.934 634 T CA -0.172 62.049 62.100 0.201 0.000 1.091 634 T CB -0.066 68.909 68.868 0.179 0.000 0.896 634 T HN 0.302 nan 8.240 nan 0.000 0.515 635 I N 3.360 124.113 120.570 0.304 0.000 2.418 635 I HA 0.384 4.553 4.170 -0.002 0.000 0.287 635 I C 0.285 176.603 176.117 0.335 0.000 1.008 635 I CA -0.915 60.542 61.300 0.261 0.000 1.104 635 I CB 1.667 39.794 38.000 0.212 0.000 1.264 635 I HN 0.526 nan 8.210 nan 0.000 0.438 636 R N 5.164 125.802 120.500 0.230 0.000 2.265 636 R HA 0.563 4.902 4.340 -0.002 0.000 0.314 636 R C -1.239 175.102 176.300 0.069 0.000 1.053 636 R CA -0.295 55.872 56.100 0.111 0.000 0.931 636 R CB 0.982 31.260 30.300 -0.036 0.000 1.024 636 R HN 0.432 nan 8.270 nan 0.000 0.457 637 V N 5.104 125.080 119.914 0.103 0.000 2.370 637 V HA 0.327 4.445 4.120 -0.002 0.000 0.279 637 V C 0.321 176.433 176.094 0.029 0.000 1.029 637 V CA -0.476 61.840 62.300 0.028 0.000 0.870 637 V CB 1.350 33.127 31.823 -0.078 0.000 0.984 637 V HN 1.026 nan 8.190 nan 0.000 0.451 638 T N 1.967 116.516 114.554 -0.008 0.000 2.927 638 T HA 0.626 4.974 4.350 -0.002 0.000 0.286 638 T C -0.300 174.395 174.700 -0.009 0.000 1.040 638 T CA -0.818 61.276 62.100 -0.010 0.000 1.010 638 T CB 1.755 70.607 68.868 -0.026 0.000 1.177 638 T HN 0.514 nan 8.240 nan 0.000 0.546 639 Q N 0.000 119.795 119.800 -0.008 0.000 2.315 639 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 639 Q CA 0.000 55.796 55.803 -0.012 0.000 1.022 639 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481