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 2eib_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 GRVFTIGGSH 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 0.000 177.655 177.584 0.118 0.000 1.274 1 A CA 0.000 52.074 52.037 0.062 0.000 0.836 1 A CB 0.000 19.010 19.000 0.017 0.000 0.831 2 S N -2.349 113.377 115.700 0.044 0.000 2.790 2 S HA 0.943 5.411 4.470 -0.003 0.000 0.292 2 S C -1.200 173.088 174.600 -0.520 0.000 1.197 2 S CA 0.562 58.671 58.200 -0.151 0.000 0.851 2 S CB 1.394 64.623 63.200 0.049 0.000 1.217 2 S HN 2.585 nan 8.310 nan 0.000 0.526 3 A N 1.375 123.616 122.820 -0.964 0.000 2.610 3 A HA 0.859 5.177 4.320 -0.003 0.000 0.291 3 A C -3.154 173.763 177.584 -1.111 0.000 1.086 3 A CA -1.203 50.239 52.037 -0.993 0.000 0.677 3 A CB 1.415 20.145 19.000 -0.450 0.000 1.278 3 A HN 0.516 nan 8.150 nan 0.000 0.414 4 P HA 0.503 nan 4.420 nan 0.000 0.280 4 P C 0.409 177.449 177.300 -0.434 0.000 1.272 4 P CA -0.498 62.172 63.100 -0.718 0.000 0.819 4 P CB 0.805 31.700 31.700 -1.342 0.000 1.122 5 I N -3.413 116.970 120.570 -0.311 0.000 3.645 5 I HA 0.382 4.550 4.170 -0.003 0.000 0.300 5 I C 0.879 176.924 176.117 -0.119 0.000 1.260 5 I CA 0.036 61.235 61.300 -0.168 0.000 1.365 5 I CB -0.134 37.792 38.000 -0.123 0.000 1.077 5 I HN 0.222 nan 8.210 nan 0.000 0.439 6 G N 1.033 109.774 108.800 -0.098 0.000 3.016 6 G HA2 0.600 4.558 3.960 -0.003 0.000 0.270 6 G HA3 0.600 4.558 3.960 -0.003 0.000 0.270 6 G C -0.912 174.098 174.900 0.184 0.000 1.352 6 G CA -0.281 44.850 45.100 0.052 0.000 1.060 6 G HN 0.295 nan 8.290 nan 0.000 0.538 7 S N -0.903 114.941 115.700 0.240 0.000 2.525 7 S HA 0.699 5.167 4.470 -0.003 0.000 0.290 7 S C 0.283 175.075 174.600 0.320 0.000 1.152 7 S CA -0.128 58.239 58.200 0.277 0.000 1.072 7 S CB 1.578 64.862 63.200 0.140 0.000 1.027 7 S HN 1.385 nan 8.310 nan 0.000 0.500 8 A N 2.774 125.760 122.820 0.276 0.000 2.498 8 A HA 0.440 4.758 4.320 -0.003 0.000 0.239 8 A C 0.172 177.710 177.584 -0.078 0.000 1.068 8 A CA -0.403 51.553 52.037 -0.136 0.000 0.766 8 A CB -0.495 18.448 19.000 -0.096 0.000 1.003 8 A HN 0.837 nan 8.150 nan 0.000 0.497 9 I N 1.799 122.304 120.570 -0.108 0.000 2.440 9 I HA 0.182 4.350 4.170 -0.003 0.000 0.294 9 I C 0.773 176.831 176.117 -0.098 0.000 0.995 9 I CA -0.254 61.066 61.300 0.033 0.000 1.306 9 I CB 1.631 39.770 38.000 0.232 0.000 1.407 9 I HN 0.721 nan 8.210 nan 0.000 0.501 10 S N 5.342 120.979 115.700 -0.105 0.000 2.549 10 S HA 0.197 4.665 4.470 -0.003 0.000 0.286 10 S C 0.663 174.935 174.600 -0.546 0.000 1.314 10 S CA -0.592 57.465 58.200 -0.239 0.000 1.062 10 S CB 0.722 63.834 63.200 -0.146 0.000 0.865 10 S HN 0.581 nan 8.310 nan 0.000 0.498 11 R N 1.643 121.715 120.500 -0.715 0.000 2.359 11 R HA 0.131 4.469 4.340 -0.003 0.000 0.231 11 R C 1.345 177.271 176.300 -0.624 0.000 0.913 11 R CA -0.093 55.315 56.100 -1.154 0.000 1.075 11 R CB -0.331 29.283 30.300 -1.142 0.000 1.087 11 R HN 0.722 nan 8.270 nan 0.000 0.515 12 N N 1.861 120.348 118.700 -0.354 0.000 2.048 12 N HA -0.243 4.495 4.740 -0.003 0.000 0.197 12 N C 0.843 176.280 175.510 -0.122 0.000 1.048 12 N CA 1.687 54.629 53.050 -0.180 0.000 0.887 12 N CB -0.255 38.165 38.487 -0.111 0.000 1.081 12 N HN 0.128 nan 8.380 nan 0.000 0.512 13 N N -0.155 118.514 118.700 -0.052 0.000 2.651 13 N HA -0.069 4.669 4.740 -0.003 0.000 0.193 13 N C -0.520 175.104 175.510 0.191 0.000 1.149 13 N CA 0.526 53.613 53.050 0.061 0.000 0.933 13 N CB -0.085 38.455 38.487 0.089 0.000 0.974 13 N HN 0.317 nan 8.380 nan 0.000 0.448 14 W N 0.736 122.025 121.300 -0.019 0.000 2.150 14 W HA 0.508 5.167 4.660 -0.001 0.000 0.341 14 W C 0.286 176.799 176.519 -0.009 0.000 1.276 14 W CA -1.756 55.579 57.345 -0.017 0.000 1.238 14 W CB -0.159 29.300 29.460 -0.002 0.000 1.128 14 W HN -0.192 nan 8.180 nan 0.000 0.581 15 A N 2.627 125.588 122.820 0.234 0.000 2.340 15 A HA 0.642 4.960 4.320 -0.003 0.000 0.297 15 A C -0.887 176.741 177.584 0.074 0.000 1.195 15 A CA -0.680 51.425 52.037 0.114 0.000 0.769 15 A CB 0.594 19.633 19.000 0.065 0.000 1.163 15 A HN 0.587 nan 8.150 nan 0.000 0.472 16 V N 0.314 120.250 119.914 0.036 0.000 2.547 16 V HA 0.902 5.020 4.120 -0.003 0.000 0.299 16 V C -0.129 175.831 176.094 -0.224 0.000 1.040 16 V CA -0.279 61.952 62.300 -0.115 0.000 0.913 16 V CB 1.465 33.249 31.823 -0.066 0.000 0.992 16 V HN 0.658 nan 8.190 nan 0.000 0.449 17 T N 3.899 118.236 114.554 -0.361 0.000 2.841 17 T HA 0.597 4.945 4.350 -0.003 0.000 0.285 17 T C -0.753 173.626 174.700 -0.535 0.000 0.991 17 T CA -0.145 61.762 62.100 -0.322 0.000 0.966 17 T CB 1.006 69.780 68.868 -0.156 0.000 0.962 17 T HN 1.029 nan 8.240 nan 0.000 0.438 18 c N 2.715 121.057 118.600 -0.431 0.000 2.707 18 c HA 0.452 5.020 4.570 -0.003 0.000 0.313 18 c C 1.737 175.766 174.090 -0.101 0.000 1.209 18 c CA -0.823 55.256 56.329 -0.416 0.000 1.635 18 c CB 1.864 44.048 42.510 -0.543 0.000 2.206 18 c HN 1.042 nan 8.230 nan 0.000 0.485 19 D N 1.157 121.584 120.400 0.045 0.000 2.097 19 D HA -0.059 4.579 4.640 -0.003 0.000 0.197 19 D C 0.272 176.559 176.300 -0.023 0.000 0.984 19 D CA 1.149 55.187 54.000 0.064 0.000 0.826 19 D CB 0.082 40.972 40.800 0.149 0.000 0.973 19 D HN 0.522 nan 8.370 nan 0.000 0.460 20 S N -1.089 114.597 115.700 -0.025 0.000 2.564 20 S HA 0.734 5.202 4.470 -0.003 0.000 0.274 20 S C -1.057 173.614 174.600 0.118 0.000 1.124 20 S CA -0.562 57.367 58.200 -0.452 0.000 0.869 20 S CB 2.460 65.010 63.200 -1.083 0.000 1.105 20 S HN 0.619 nan 8.310 nan 0.000 0.472 21 A N 1.570 124.398 122.820 0.014 0.000 2.491 21 A HA 0.616 4.934 4.320 -0.003 0.000 0.293 21 A C -1.286 176.577 177.584 0.465 0.000 1.047 21 A CA -0.638 51.627 52.037 0.380 0.000 0.735 21 A CB 1.210 20.530 19.000 0.534 0.000 1.281 21 A HN 0.665 nan 8.150 nan 0.000 0.398 22 Q N 1.467 121.520 119.800 0.423 0.000 2.243 22 Q HA 0.450 4.788 4.340 -0.003 0.000 0.252 22 Q C 0.525 176.657 176.000 0.219 0.000 0.909 22 Q CA -0.292 55.723 55.803 0.354 0.000 0.922 22 Q CB 1.324 30.238 28.738 0.295 0.000 1.215 22 Q HN 1.006 nan 8.270 nan 0.000 0.427 23 S N 1.440 117.224 115.700 0.139 0.000 2.626 23 S HA 0.166 4.634 4.470 -0.003 0.000 0.303 23 S C 1.040 175.670 174.600 0.050 0.000 1.256 23 S CA 0.424 58.673 58.200 0.082 0.000 1.069 23 S CB 0.361 63.581 63.200 0.034 0.000 0.807 23 S HN 0.994 nan 8.310 nan 0.000 0.500 24 G N 3.621 112.449 108.800 0.046 0.000 2.313 24 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.215 24 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.215 24 G C 0.097 174.980 174.900 -0.028 0.000 1.023 24 G CA 0.015 45.111 45.100 -0.007 0.000 0.626 24 G HN 0.772 nan 8.290 nan 0.000 0.503 25 N N 1.337 120.075 118.700 0.063 0.000 2.541 25 N HA 0.437 5.175 4.740 -0.003 0.000 0.297 25 N C -0.380 175.320 175.510 0.315 0.000 1.503 25 N CA -0.427 52.697 53.050 0.124 0.000 0.919 25 N CB 0.765 39.356 38.487 0.173 0.000 1.305 25 N HN 0.359 nan 8.380 nan 0.000 0.501 26 E N -0.064 120.295 120.200 0.265 0.000 2.458 26 E HA -0.098 4.250 4.350 -0.003 0.000 0.264 26 E C 0.919 177.752 176.600 0.389 0.000 1.097 26 E CA -0.048 56.527 56.400 0.292 0.000 0.973 26 E CB 0.461 30.261 29.700 0.167 0.000 0.963 26 E HN 0.212 nan 8.360 nan 0.000 0.451 27 c N 2.391 121.133 118.600 0.237 0.000 2.393 27 c HA -0.220 4.348 4.570 -0.003 0.000 0.276 27 c C 2.048 176.209 174.090 0.118 0.000 1.215 27 c CA 1.628 57.934 56.329 -0.038 0.000 1.743 27 c CB -1.331 41.028 42.510 -0.251 0.000 2.044 27 c HN 0.935 nan 8.230 nan 0.000 0.464 28 N N 0.811 119.585 118.700 0.122 0.000 2.519 28 N HA -0.115 4.623 4.740 -0.003 0.000 0.186 28 N C 1.306 176.917 175.510 0.169 0.000 1.062 28 N CA 1.169 54.308 53.050 0.148 0.000 0.910 28 N CB -0.736 37.808 38.487 0.095 0.000 0.958 28 N HN 0.560 nan 8.380 nan 0.000 0.445 29 K N 0.255 120.779 120.400 0.206 0.000 2.147 29 K HA 0.024 4.342 4.320 -0.003 0.000 0.205 29 K C 1.802 178.519 176.600 0.196 0.000 1.049 29 K CA 1.202 57.597 56.287 0.180 0.000 0.936 29 K CB -0.312 32.297 32.500 0.182 0.000 0.722 29 K HN 0.417 nan 8.250 nan 0.000 0.446 30 A N 1.696 124.677 122.820 0.268 0.000 2.066 30 A HA -0.049 4.269 4.320 -0.003 0.000 0.218 30 A C 1.766 179.415 177.584 0.109 0.000 1.157 30 A CA 0.716 52.860 52.037 0.178 0.000 0.670 30 A CB -0.469 18.590 19.000 0.098 0.000 0.804 30 A HN 0.415 nan 8.150 nan 0.000 0.453 31 I N -2.868 117.787 120.570 0.143 0.000 3.736 31 I HA 0.266 4.434 4.170 -0.003 0.000 0.338 31 I C 0.320 176.441 176.117 0.007 0.000 1.558 31 I CA 0.053 61.397 61.300 0.074 0.000 1.147 31 I CB 0.409 38.489 38.000 0.133 0.000 1.275 31 I HN 0.071 nan 8.210 nan 0.000 0.454 32 D N 1.080 121.492 120.400 0.021 0.000 2.346 32 D HA 0.117 4.755 4.640 -0.003 0.000 0.206 32 D C 1.626 177.910 176.300 -0.026 0.000 1.001 32 D CA 0.846 54.844 54.000 -0.003 0.000 0.871 32 D CB 0.151 40.962 40.800 0.018 0.000 0.943 32 D HN 0.449 nan 8.370 nan 0.000 0.518 33 G N 0.502 109.287 108.800 -0.025 0.000 2.141 33 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.231 33 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.231 33 G C -0.156 174.737 174.900 -0.011 0.000 0.984 33 G CA 0.049 45.130 45.100 -0.032 0.000 0.660 33 G HN 0.640 nan 8.290 nan 0.000 0.525 34 N N 0.208 118.911 118.700 0.006 0.000 2.442 34 N HA 0.400 5.138 4.740 -0.003 0.000 0.274 34 N C 0.884 176.415 175.510 0.036 0.000 1.002 34 N CA -0.442 52.617 53.050 0.015 0.000 0.910 34 N CB 1.388 39.882 38.487 0.010 0.000 1.244 34 N HN 0.199 nan 8.380 nan 0.000 0.492 35 K N 2.282 122.702 120.400 0.035 0.000 2.519 35 K HA -0.078 4.240 4.320 -0.003 0.000 0.196 35 K C -0.158 176.494 176.600 0.086 0.000 1.041 35 K CA 1.280 57.598 56.287 0.051 0.000 0.954 35 K CB 0.257 32.775 32.500 0.030 0.000 0.774 35 K HN 0.487 nan 8.250 nan 0.000 0.480 36 D N 0.402 120.846 120.400 0.074 0.000 2.301 36 D HA -0.034 4.604 4.640 -0.003 0.000 0.206 36 D C 0.382 176.729 176.300 0.078 0.000 0.979 36 D CA 0.757 54.806 54.000 0.082 0.000 0.874 36 D CB 0.272 41.096 40.800 0.040 0.000 0.968 36 D HN 0.357 nan 8.370 nan 0.000 0.510 37 T N -0.561 114.023 114.554 0.050 0.000 2.922 37 T HA 0.549 4.897 4.350 -0.003 0.000 0.285 37 T C -0.164 174.626 174.700 0.150 0.000 1.005 37 T CA -0.830 61.257 62.100 -0.023 0.000 1.061 37 T CB 1.335 70.193 68.868 -0.016 0.000 1.007 37 T HN 0.023 nan 8.240 nan 0.000 0.502 38 F N -1.203 118.813 119.950 0.110 0.000 2.650 38 F HA 0.639 5.164 4.527 -0.003 0.000 0.310 38 F C -1.421 174.518 175.800 0.233 0.000 1.112 38 F CA -2.683 55.407 58.000 0.150 0.000 0.986 38 F CB 0.439 39.493 39.000 0.091 0.000 1.285 38 F HN 0.898 nan 8.300 nan 0.000 0.440 39 W N 5.037 126.579 121.300 0.404 0.000 2.251 39 W HA 0.604 5.261 4.660 -0.005 0.000 0.329 39 W C -1.365 175.414 176.519 0.433 0.000 1.234 39 W CA 0.043 57.596 57.345 0.347 0.000 1.228 39 W CB 0.522 30.178 29.460 0.327 0.000 1.135 39 W HN 0.853 nan 8.180 nan 0.000 0.576 40 H N 3.141 121.930 119.070 -0.468 0.000 2.954 40 H HA 0.254 4.809 4.556 -0.003 0.000 0.361 40 H C -0.346 174.661 175.328 -0.535 0.000 1.122 40 H CA -0.144 55.596 56.048 -0.512 0.000 1.217 40 H CB 1.702 31.442 29.762 -0.037 0.000 1.776 40 H HN 0.551 nan 8.280 nan 0.000 0.533 41 T N 0.889 115.214 114.554 -0.382 0.000 2.754 41 T HA 0.276 4.624 4.350 -0.003 0.000 0.286 41 T C 0.627 175.563 174.700 0.393 0.000 0.997 41 T CA -0.672 61.322 62.100 -0.177 0.000 0.982 41 T CB 0.486 69.009 68.868 -0.575 0.000 1.027 41 T HN 0.184 nan 8.240 nan 0.000 0.529 42 F N 2.328 122.430 119.950 0.254 0.000 2.629 42 F HA 0.338 4.863 4.527 -0.003 0.000 0.377 42 F C 0.357 176.451 175.800 0.490 0.000 1.101 42 F CA -0.741 57.435 58.000 0.293 0.000 1.301 42 F CB -0.920 38.205 39.000 0.209 0.000 1.062 42 F HN 0.717 nan 8.300 nan 0.000 0.583 43 Y N -0.716 119.786 120.300 0.336 0.000 2.609 43 Y HA 0.657 5.204 4.550 -0.004 0.000 0.336 43 Y C 0.331 176.284 175.900 0.088 0.000 1.129 43 Y CA -1.418 56.823 58.100 0.235 0.000 1.040 43 Y CB 0.783 39.174 38.460 -0.114 0.000 1.310 43 Y HN 0.870 nan 8.280 nan 0.000 0.460 44 G N 1.400 110.301 108.800 0.168 0.000 2.793 44 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.334 44 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.334 44 G C 1.273 176.157 174.900 -0.026 0.000 1.186 44 G CA 1.822 46.934 45.100 0.019 0.000 0.960 44 G HN 1.918 nan 8.290 nan 0.000 0.562 45 A N 0.287 123.025 122.820 -0.137 0.000 2.121 45 A HA 0.138 4.456 4.320 -0.003 0.000 0.218 45 A C 1.964 179.446 177.584 -0.171 0.000 1.154 45 A CA 2.082 54.035 52.037 -0.141 0.000 0.679 45 A CB -0.407 18.488 19.000 -0.174 0.000 0.795 45 A HN 0.678 nan 8.150 nan 0.000 0.458 46 N N -1.490 117.084 118.700 -0.211 0.000 2.254 46 N HA 0.366 5.104 4.740 -0.003 0.000 0.190 46 N C 0.661 176.090 175.510 -0.135 0.000 1.107 46 N CA 0.269 53.108 53.050 -0.352 0.000 0.869 46 N CB 0.548 38.561 38.487 -0.790 0.000 0.983 46 N HN 0.581 nan 8.380 nan 0.000 0.487 47 G N 0.988 109.800 108.800 0.020 0.000 2.631 47 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.504 47 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.504 47 G C -1.672 173.403 174.900 0.292 0.000 1.306 47 G CA -0.794 44.387 45.100 0.134 0.000 0.897 47 G HN 0.153 nan 8.290 nan 0.000 0.520 48 D N 1.924 122.486 120.400 0.271 0.000 2.517 48 D HA 0.385 5.023 4.640 -0.003 0.000 0.301 48 D C -2.251 174.151 176.300 0.170 0.000 1.202 48 D CA -0.758 53.421 54.000 0.298 0.000 0.910 48 D CB 1.168 42.111 40.800 0.238 0.000 1.021 48 D HN 0.297 nan 8.370 nan 0.000 0.499 49 P HA 0.074 nan 4.420 nan 0.000 0.267 49 P C 0.114 177.537 177.300 0.206 0.000 1.205 49 P CA -0.043 63.195 63.100 0.230 0.000 0.765 49 P CB 1.242 33.133 31.700 0.319 0.000 0.828 50 K N 4.456 124.888 120.400 0.052 0.000 2.107 50 K HA 0.362 4.680 4.320 -0.003 0.000 0.251 50 K C -2.115 174.327 176.600 -0.264 0.000 1.012 50 K CA -1.631 54.625 56.287 -0.052 0.000 0.920 50 K CB -0.565 31.885 32.500 -0.085 0.000 1.033 50 K HN 0.324 nan 8.250 nan 0.000 0.478 51 P HA 0.095 nan 4.420 nan 0.000 0.272 51 P C -2.501 174.618 177.300 -0.302 0.000 1.240 51 P CA -1.011 61.807 63.100 -0.470 0.000 0.791 51 P CB -0.062 31.557 31.700 -0.134 0.000 0.978 52 P HA 0.171 nan 4.420 nan 0.000 0.271 52 P C -0.727 176.349 177.300 -0.373 0.000 1.216 52 P CA 0.517 63.490 63.100 -0.212 0.000 0.776 52 P CB 0.391 32.039 31.700 -0.087 0.000 0.881 53 H N 0.153 119.284 119.070 0.102 0.000 2.679 53 H HA 0.514 5.068 4.556 -0.002 0.000 0.367 53 H C -0.329 175.115 175.328 0.195 0.000 1.162 53 H CA -0.235 55.914 56.048 0.167 0.000 1.181 53 H CB 1.953 31.856 29.762 0.234 0.000 1.693 53 H HN 0.254 nan 8.280 nan 0.000 0.538 54 T N 1.959 116.690 114.554 0.296 0.000 2.861 54 T HA 0.227 4.575 4.350 -0.003 0.000 0.287 54 T C -1.139 173.600 174.700 0.064 0.000 1.003 54 T CA -0.593 61.590 62.100 0.138 0.000 0.977 54 T CB 1.326 70.184 68.868 -0.017 0.000 0.996 54 T HN 0.403 nan 8.240 nan 0.000 0.448 55 Y N 2.493 122.739 120.300 -0.091 0.000 2.447 55 Y HA 0.426 4.973 4.550 -0.004 0.000 0.325 55 Y C -0.223 175.580 175.900 -0.161 0.000 0.976 55 Y CA -0.568 57.377 58.100 -0.260 0.000 1.280 55 Y CB 0.758 39.058 38.460 -0.266 0.000 1.104 55 Y HN 0.600 nan 8.280 nan 0.000 0.486 56 T N 6.797 121.173 114.554 -0.297 0.000 2.795 56 T HA 0.597 4.945 4.350 -0.003 0.000 0.282 56 T C -0.264 174.405 174.700 -0.052 0.000 0.980 56 T CA -0.427 61.614 62.100 -0.099 0.000 1.012 56 T CB 0.970 69.787 68.868 -0.084 0.000 0.936 56 T HN 0.446 nan 8.240 nan 0.000 0.457 57 I N 2.383 122.987 120.570 0.058 0.000 2.530 57 I HA 0.411 4.579 4.170 -0.003 0.000 0.297 57 I C -0.563 175.486 176.117 -0.113 0.000 1.011 57 I CA -0.848 60.417 61.300 -0.059 0.000 1.107 57 I CB 1.946 39.786 38.000 -0.267 0.000 1.285 57 I HN 0.515 nan 8.210 nan 0.000 0.436 58 D N 6.137 126.433 120.400 -0.173 0.000 2.462 58 D HA 0.340 4.978 4.640 -0.003 0.000 0.245 58 D C 0.318 176.420 176.300 -0.329 0.000 1.122 58 D CA -0.442 53.371 54.000 -0.311 0.000 0.864 58 D CB 1.422 42.095 40.800 -0.212 0.000 1.098 58 D HN 0.457 nan 8.370 nan 0.000 0.541 59 M N 2.353 121.653 119.600 -0.501 0.000 2.562 59 M HA -0.015 4.463 4.480 -0.003 0.000 0.257 59 M C 1.117 177.367 176.300 -0.082 0.000 1.099 59 M CA 0.460 55.534 55.300 -0.377 0.000 1.099 59 M CB 0.006 32.353 32.600 -0.422 0.000 1.427 59 M HN 0.479 nan 8.290 nan 0.000 0.489 60 K N -1.132 119.159 120.400 -0.182 0.000 3.376 60 K HA -0.146 4.172 4.320 -0.003 0.000 0.326 60 K C -0.049 176.491 176.600 -0.100 0.000 0.744 60 K CA 1.766 57.990 56.287 -0.105 0.000 1.436 60 K CB -1.433 31.067 32.500 0.001 0.000 1.298 60 K HN 0.424 nan 8.250 nan 0.000 0.463 61 T N 0.591 115.094 114.554 -0.086 0.000 2.901 61 T HA 0.339 4.687 4.350 -0.003 0.000 0.293 61 T C -0.451 174.198 174.700 -0.086 0.000 1.084 61 T CA -0.653 61.410 62.100 -0.062 0.000 1.008 61 T CB 2.049 70.910 68.868 -0.011 0.000 1.170 61 T HN 0.086 nan 8.240 nan 0.000 0.509 62 T N 3.092 117.608 114.554 -0.064 0.000 2.761 62 T HA 0.279 4.627 4.350 -0.003 0.000 0.287 62 T C -0.170 174.509 174.700 -0.035 0.000 0.931 62 T CA -0.676 61.390 62.100 -0.057 0.000 1.164 62 T CB -0.023 68.819 68.868 -0.043 0.000 0.876 62 T HN 0.372 nan 8.240 nan 0.000 0.534 63 Q N 2.226 122.008 119.800 -0.031 0.000 2.416 63 Q HA 0.354 4.692 4.340 -0.003 0.000 0.279 63 Q C -0.373 175.625 176.000 -0.002 0.000 1.101 63 Q CA -1.031 54.773 55.803 0.002 0.000 0.830 63 Q CB 1.274 30.031 28.738 0.033 0.000 1.402 63 Q HN 0.443 nan 8.270 nan 0.000 0.445 64 N N 0.941 119.653 118.700 0.020 0.000 3.050 64 N HA 0.119 4.857 4.740 -0.003 0.000 0.289 64 N C -0.549 175.010 175.510 0.081 0.000 1.209 64 N CA 0.076 53.145 53.050 0.032 0.000 1.154 64 N CB 0.030 38.560 38.487 0.071 0.000 1.444 64 N HN 0.222 nan 8.380 nan 0.000 0.529 65 V N 2.119 122.095 119.914 0.104 0.000 2.715 65 V HA 0.068 4.186 4.120 -0.003 0.000 0.299 65 V C 1.301 177.513 176.094 0.197 0.000 1.054 65 V CA -0.204 62.200 62.300 0.174 0.000 1.077 65 V CB 1.002 32.970 31.823 0.242 0.000 0.972 65 V HN 0.617 nan 8.190 nan 0.000 0.484 66 N N 1.910 120.628 118.700 0.030 0.000 2.116 66 N HA 0.326 5.064 4.740 -0.003 0.000 0.230 66 N C -0.133 174.885 175.510 -0.819 0.000 1.326 66 N CA 0.530 53.417 53.050 -0.272 0.000 0.867 66 N CB 1.457 39.887 38.487 -0.095 0.000 1.174 66 N HN 0.802 nan 8.380 nan 0.000 0.506 67 G N 0.099 108.532 108.800 -0.611 0.000 2.428 67 G HA2 0.547 4.505 3.960 -0.003 0.000 0.304 67 G HA3 0.547 4.505 3.960 -0.003 0.000 0.304 67 G C -2.471 172.607 174.900 0.296 0.000 1.303 67 G CA -0.221 44.653 45.100 -0.378 0.000 0.825 67 G HN 0.558 nan 8.290 nan 0.000 0.484 68 L N -1.053 120.461 121.223 0.485 0.000 2.794 68 L HA 0.941 5.279 4.340 -0.003 0.000 0.261 68 L C -0.658 176.497 176.870 0.475 0.000 0.989 68 L CA -0.534 54.621 54.840 0.525 0.000 0.900 68 L CB 1.485 43.790 42.059 0.409 0.000 1.473 68 L HN 1.697 nan 8.230 nan 0.000 0.414 69 S N 3.201 119.097 115.700 0.328 0.000 2.549 69 S HA 0.909 5.377 4.470 -0.003 0.000 0.280 69 S C -0.912 173.579 174.600 -0.183 0.000 1.109 69 S CA -0.625 57.518 58.200 -0.095 0.000 0.905 69 S CB 1.835 65.068 63.200 0.055 0.000 1.081 69 S HN 1.172 nan 8.310 nan 0.000 0.477 70 M N 3.802 123.143 119.600 -0.431 0.000 2.149 70 M HA 0.457 4.934 4.480 -0.003 0.000 0.273 70 M C -2.371 173.653 176.300 -0.459 0.000 0.972 70 M CA -0.787 54.277 55.300 -0.394 0.000 0.984 70 M CB 1.270 33.547 32.600 -0.538 0.000 1.699 70 M HN 0.911 nan 8.290 nan 0.000 0.462 71 L N 9.194 130.251 121.223 -0.278 0.000 2.282 71 L HA 0.764 5.102 4.340 -0.003 0.000 0.288 71 L C -2.429 174.340 176.870 -0.169 0.000 1.033 71 L CA -1.027 53.663 54.840 -0.249 0.000 0.807 71 L CB 1.277 43.244 42.059 -0.154 0.000 1.209 71 L HN 0.423 nan 8.230 nan 0.000 0.423 72 P HA 0.181 nan 4.420 nan 0.000 0.286 72 P C -1.298 176.012 177.300 0.017 0.000 1.293 72 P CA -0.589 62.470 63.100 -0.068 0.000 0.770 72 P CB 0.268 31.870 31.700 -0.164 0.000 1.206 73 R N 0.558 121.090 120.500 0.052 0.000 2.389 73 R HA 0.151 4.489 4.340 -0.003 0.000 0.295 73 R C 0.191 176.546 176.300 0.092 0.000 1.075 73 R CA -0.129 55.945 56.100 -0.044 0.000 1.005 73 R CB -0.024 29.996 30.300 -0.467 0.000 0.987 73 R HN 0.321 nan 8.270 nan 0.000 0.452 74 Q N 2.079 121.929 119.800 0.083 0.000 2.204 74 Q HA -0.013 4.325 4.340 -0.003 0.000 0.209 74 Q C -0.150 175.897 176.000 0.079 0.000 0.861 74 Q CA 0.206 56.061 55.803 0.086 0.000 0.971 74 Q CB 0.678 29.456 28.738 0.067 0.000 1.095 74 Q HN 0.790 nan 8.270 nan 0.000 0.486 75 D N -0.748 119.694 120.400 0.071 0.000 2.325 75 D HA 0.081 4.719 4.640 -0.003 0.000 0.225 75 D C 1.116 177.426 176.300 0.018 0.000 1.096 75 D CA 0.414 54.451 54.000 0.061 0.000 0.844 75 D CB 0.063 40.929 40.800 0.110 0.000 0.925 75 D HN 0.244 nan 8.370 nan 0.000 0.513 76 G N 0.746 109.558 108.800 0.021 0.000 2.179 76 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.260 76 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.260 76 G C 0.034 174.877 174.900 -0.096 0.000 0.977 76 G CA 0.194 45.293 45.100 -0.001 0.000 0.641 76 G HN 0.634 nan 8.290 nan 0.000 0.533 77 N N -0.151 118.450 118.700 -0.165 0.000 2.456 77 N HA 0.393 5.131 4.740 -0.003 0.000 0.288 77 N C 1.119 176.269 175.510 -0.599 0.000 1.059 77 N CA -0.378 52.486 53.050 -0.310 0.000 0.946 77 N CB 0.680 39.007 38.487 -0.266 0.000 1.150 77 N HN 0.330 nan 8.380 nan 0.000 0.479 78 Q N 0.957 120.205 119.800 -0.919 0.000 2.402 78 Q HA 0.098 4.436 4.340 -0.003 0.000 0.206 78 Q C -0.430 174.866 176.000 -1.174 0.000 0.919 78 Q CA 0.131 54.858 55.803 -1.793 0.000 0.923 78 Q CB 0.207 28.163 28.738 -1.303 0.000 1.048 78 Q HN 0.547 nan 8.270 nan 0.000 0.515 79 N N 0.854 119.181 118.700 -0.621 0.000 2.440 79 N HA 0.053 4.791 4.740 -0.003 0.000 0.265 79 N C 0.737 176.058 175.510 -0.315 0.000 1.239 79 N CA 1.314 54.189 53.050 -0.291 0.000 0.909 79 N CB 0.890 39.208 38.487 -0.281 0.000 1.066 79 N HN 0.427 nan 8.380 nan 0.000 0.474 80 G N 1.209 109.949 108.800 -0.099 0.000 2.194 80 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.236 80 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.236 80 G C -0.479 174.446 174.900 0.042 0.000 0.987 80 G CA -0.575 44.446 45.100 -0.132 0.000 0.635 80 G HN 0.471 nan 8.290 nan 0.000 0.520 81 W N 1.543 122.795 121.300 -0.081 0.000 2.397 81 W HA 0.537 5.195 4.660 -0.004 0.000 0.327 81 W C 0.999 177.539 176.519 0.036 0.000 1.421 81 W CA -1.085 56.233 57.345 -0.046 0.000 1.288 81 W CB -0.377 29.049 29.460 -0.056 0.000 1.312 81 W HN 0.146 nan 8.180 nan 0.000 0.559 82 I N 4.399 125.155 120.570 0.309 0.000 2.533 82 I HA 0.087 4.255 4.170 -0.003 0.000 0.284 82 I C 1.356 177.680 176.117 0.344 0.000 1.109 82 I CA 0.510 62.004 61.300 0.322 0.000 1.412 82 I CB 0.388 38.635 38.000 0.413 0.000 1.396 82 I HN 0.556 nan 8.210 nan 0.000 0.543 83 G N 6.388 115.344 108.800 0.260 0.000 2.593 83 G HA2 0.181 4.139 3.960 -0.003 0.000 0.212 83 G HA3 0.181 4.139 3.960 -0.003 0.000 0.212 83 G C 0.376 175.408 174.900 0.220 0.000 1.934 83 G CA -0.434 44.801 45.100 0.224 0.000 0.861 83 G HN 0.471 nan 8.290 nan 0.000 0.629 84 R N 1.501 122.074 120.500 0.120 0.000 2.489 84 R HA 0.332 4.670 4.340 -0.003 0.000 0.287 84 R C -0.122 176.192 176.300 0.023 0.000 1.053 84 R CA 0.238 56.346 56.100 0.014 0.000 1.036 84 R CB 0.270 30.573 30.300 0.005 0.000 0.966 84 R HN 0.767 nan 8.270 nan 0.000 0.432 85 H N -0.020 118.941 119.070 -0.181 0.000 2.960 85 H HA 0.505 5.060 4.556 -0.001 0.000 0.323 85 H C -1.181 174.035 175.328 -0.186 0.000 1.326 85 H CA -1.102 54.827 56.048 -0.200 0.000 1.124 85 H CB 1.802 31.316 29.762 -0.414 0.000 1.853 85 H HN 0.518 nan 8.280 nan 0.000 0.536 86 E N 0.614 120.779 120.200 -0.059 0.000 2.321 86 E HA 0.462 4.810 4.350 -0.003 0.000 0.278 86 E C -1.597 174.982 176.600 -0.036 0.000 0.902 86 E CA -0.859 55.468 56.400 -0.122 0.000 0.758 86 E CB 3.427 33.106 29.700 -0.035 0.000 1.213 86 E HN 0.376 nan 8.360 nan 0.000 0.426 87 V N 3.631 123.450 119.914 -0.157 0.000 2.487 87 V HA 0.469 4.587 4.120 -0.003 0.000 0.298 87 V C -1.201 174.751 176.094 -0.238 0.000 1.028 87 V CA -0.681 61.587 62.300 -0.052 0.000 0.860 87 V CB 0.685 32.538 31.823 0.050 0.000 0.991 87 V HN 0.576 nan 8.190 nan 0.000 0.427 88 Y N 4.109 124.414 120.300 0.007 0.000 2.524 88 Y HA 0.760 5.305 4.550 -0.007 0.000 0.344 88 Y C -0.142 175.928 175.900 0.284 0.000 1.012 88 Y CA -0.967 57.200 58.100 0.113 0.000 1.068 88 Y CB 2.001 40.577 38.460 0.194 0.000 1.249 88 Y HN 0.393 nan 8.280 nan 0.000 0.468 89 L N 1.488 122.991 121.223 0.466 0.000 2.381 89 L HA 0.718 5.056 4.340 -0.003 0.000 0.268 89 L C -0.528 176.445 176.870 0.171 0.000 0.997 89 L CA -0.659 54.371 54.840 0.318 0.000 0.818 89 L CB 2.231 44.357 42.059 0.112 0.000 1.310 89 L HN 0.576 nan 8.230 nan 0.000 0.416 90 S N -0.733 114.906 115.700 -0.103 0.000 2.546 90 S HA 0.451 4.918 4.470 -0.003 0.000 0.274 90 S C 0.341 174.838 174.600 -0.172 0.000 1.121 90 S CA -0.284 57.618 58.200 -0.496 0.000 0.887 90 S CB 1.922 64.099 63.200 -1.704 0.000 1.094 90 S HN 0.699 nan 8.310 nan 0.000 0.474 91 S N 1.520 117.114 115.700 -0.177 0.000 2.497 91 S HA 0.089 4.557 4.470 -0.003 0.000 0.218 91 S C 0.638 175.259 174.600 0.036 0.000 1.023 91 S CA 0.642 58.830 58.200 -0.021 0.000 0.913 91 S CB -0.194 62.968 63.200 -0.064 0.000 0.800 91 S HN 0.793 nan 8.310 nan 0.000 0.505 92 D N -0.406 119.834 120.400 -0.266 0.000 2.474 92 D HA 0.333 4.971 4.640 -0.003 0.000 0.213 92 D C 1.392 177.081 176.300 -1.018 0.000 1.120 92 D CA 0.530 54.302 54.000 -0.380 0.000 0.836 92 D CB -0.308 40.327 40.800 -0.276 0.000 1.019 92 D HN 0.429 nan 8.370 nan 0.000 0.507 93 G N -0.293 107.555 108.800 -1.588 0.000 2.179 93 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.260 93 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.260 93 G C 1.092 175.532 174.900 -0.766 0.000 0.977 93 G CA 1.101 45.240 45.100 -1.601 0.000 0.641 93 G HN 0.501 nan 8.290 nan 0.000 0.533 94 T N -1.502 112.631 114.554 -0.701 0.000 3.028 94 T HA 0.219 4.567 4.350 -0.003 0.000 0.250 94 T C 0.593 175.111 174.700 -0.305 0.000 0.979 94 T CA 0.299 62.213 62.100 -0.309 0.000 1.004 94 T CB 0.262 69.031 68.868 -0.165 0.000 1.120 94 T HN 0.387 nan 8.240 nan 0.000 0.482 95 N N 0.867 119.284 118.700 -0.471 0.000 2.527 95 N HA 0.203 4.940 4.740 -0.003 0.000 0.236 95 N C -0.566 174.667 175.510 -0.461 0.000 0.999 95 N CA -0.292 52.581 53.050 -0.296 0.000 0.935 95 N CB 1.146 39.512 38.487 -0.202 0.000 1.132 95 N HN 0.367 nan 8.380 nan 0.000 0.511 96 W N 2.360 123.610 121.300 -0.084 0.000 2.560 96 W HA 0.165 4.820 4.660 -0.008 0.000 0.303 96 W C 1.751 178.323 176.519 0.089 0.000 1.151 96 W CA 1.191 58.516 57.345 -0.032 0.000 1.426 96 W CB -0.107 29.215 29.460 -0.230 0.000 1.135 96 W HN 0.674 nan 8.180 nan 0.000 0.522 97 G N 0.129 109.108 108.800 0.299 0.000 2.496 97 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.243 97 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.243 97 G C -0.234 174.877 174.900 0.351 0.000 1.176 97 G CA -0.159 45.082 45.100 0.235 0.000 0.940 97 G HN 0.088 nan 8.290 nan 0.000 0.573 98 S N 3.206 119.043 115.700 0.228 0.000 2.541 98 S HA 0.669 5.137 4.470 -0.003 0.000 0.283 98 S C -2.072 172.506 174.600 -0.036 0.000 1.196 98 S CA -0.543 57.748 58.200 0.151 0.000 1.062 98 S CB 1.539 64.786 63.200 0.077 0.000 1.009 98 S HN 0.649 nan 8.310 nan 0.000 0.502 99 P HA 0.002 nan 4.420 nan 0.000 0.264 99 P C 0.940 178.035 177.300 -0.342 0.000 1.183 99 P CA -0.085 62.604 63.100 -0.685 0.000 0.763 99 P CB 0.282 31.544 31.700 -0.730 0.000 0.807 100 V N 0.136 119.819 119.914 -0.386 0.000 3.129 100 V HA 0.349 4.467 4.120 -0.003 0.000 0.259 100 V C 0.730 176.652 176.094 -0.286 0.000 1.116 100 V CA 1.133 63.205 62.300 -0.381 0.000 1.127 100 V CB -1.009 30.373 31.823 -0.734 0.000 0.742 100 V HN 0.679 nan 8.190 nan 0.000 0.474 101 A N -0.034 122.630 122.820 -0.261 0.000 2.594 101 A HA 0.858 5.176 4.320 -0.003 0.000 0.295 101 A C -0.439 177.044 177.584 -0.168 0.000 1.071 101 A CA 0.203 52.185 52.037 -0.091 0.000 0.685 101 A CB 1.652 20.725 19.000 0.121 0.000 1.285 101 A HN 1.330 nan 8.150 nan 0.000 0.405 102 S N -0.307 115.269 115.700 -0.208 0.000 2.578 102 S HA 0.947 5.415 4.470 -0.003 0.000 0.272 102 S C -0.189 174.150 174.600 -0.435 0.000 1.145 102 S CA 0.332 58.305 58.200 -0.378 0.000 0.835 102 S CB 0.959 64.008 63.200 -0.252 0.000 1.104 102 S HN 2.858 nan 8.310 nan 0.000 0.458 103 G N 0.654 109.074 108.800 -0.633 0.000 2.356 103 G HA2 0.474 4.432 3.960 -0.003 0.000 0.266 103 G HA3 0.474 4.432 3.960 -0.003 0.000 0.266 103 G C -1.408 173.235 174.900 -0.429 0.000 1.312 103 G CA -0.152 44.730 45.100 -0.363 0.000 0.922 103 G HN 1.448 nan 8.290 nan 0.000 0.480 104 S N -0.603 115.027 115.700 -0.116 0.000 2.541 104 S HA 0.727 5.195 4.470 -0.003 0.000 0.280 104 S C -1.389 173.361 174.600 0.249 0.000 1.112 104 S CA -0.550 57.682 58.200 0.052 0.000 0.925 104 S CB 1.625 64.901 63.200 0.127 0.000 1.067 104 S HN 0.525 nan 8.310 nan 0.000 0.479 105 W N 1.783 123.245 121.300 0.269 0.000 2.512 105 W HA 0.502 5.163 4.660 0.001 0.000 0.335 105 W C -0.153 176.436 176.519 0.116 0.000 1.088 105 W CA -1.722 55.707 57.345 0.140 0.000 1.236 105 W CB 0.592 30.050 29.460 -0.004 0.000 1.307 105 W HN 0.591 nan 8.180 nan 0.000 0.567 106 F N 1.928 121.966 119.950 0.147 0.000 2.506 106 F HA 0.344 4.869 4.527 -0.005 0.000 0.351 106 F C 0.763 176.520 175.800 -0.072 0.000 1.136 106 F CA -0.416 57.602 58.000 0.030 0.000 1.298 106 F CB 0.715 39.690 39.000 -0.041 0.000 1.145 106 F HN 0.341 nan 8.300 nan 0.000 0.593 107 A N 5.086 127.486 122.820 -0.700 0.000 2.906 107 A HA 0.400 4.718 4.320 -0.003 0.000 0.289 107 A C -0.778 176.415 177.584 -0.652 0.000 1.675 107 A CA 0.179 51.919 52.037 -0.494 0.000 1.372 107 A CB -1.223 17.605 19.000 -0.286 0.000 1.091 107 A HN 0.740 nan 8.150 nan 0.000 0.579 108 D N -0.665 119.194 120.400 -0.902 0.000 2.692 108 D HA 0.283 4.921 4.640 -0.003 0.000 0.303 108 D C -0.006 175.447 176.300 -1.411 0.000 1.278 108 D CA 0.192 53.665 54.000 -0.879 0.000 0.852 108 D CB 0.221 40.916 40.800 -0.175 0.000 1.375 108 D HN 0.205 nan 8.370 nan 0.000 0.453 109 S N -1.461 113.770 115.700 -0.782 0.000 2.601 109 S HA 0.284 4.751 4.470 -0.003 0.000 0.244 109 S C 0.378 174.771 174.600 -0.346 0.000 1.001 109 S CA 0.038 57.898 58.200 -0.567 0.000 0.984 109 S CB -1.033 62.127 63.200 -0.066 0.000 0.842 109 S HN 0.746 nan 8.310 nan 0.000 0.474 110 T N 0.363 114.698 114.554 -0.365 0.000 2.904 110 T HA 0.380 4.728 4.350 -0.003 0.000 0.290 110 T C 0.169 174.637 174.700 -0.386 0.000 1.018 110 T CA -0.395 61.535 62.100 -0.284 0.000 1.075 110 T CB 0.542 69.273 68.868 -0.229 0.000 0.986 110 T HN 0.187 nan 8.240 nan 0.000 0.523 111 T N 3.899 118.247 114.554 -0.345 0.000 2.867 111 T HA 0.171 4.519 4.350 -0.003 0.000 0.297 111 T C 0.277 174.572 174.700 -0.675 0.000 0.989 111 T CA -0.429 61.368 62.100 -0.505 0.000 1.159 111 T CB 0.041 68.635 68.868 -0.457 0.000 0.928 111 T HN 0.412 nan 8.240 nan 0.000 0.538 112 K N 2.997 122.846 120.400 -0.918 0.000 2.156 112 K HA 0.443 4.761 4.320 -0.003 0.000 0.271 112 K C -0.787 175.218 176.600 -0.992 0.000 0.995 112 K CA -0.436 55.150 56.287 -1.169 0.000 0.890 112 K CB 1.076 32.261 32.500 -2.192 0.000 1.073 112 K HN 0.560 nan 8.250 nan 0.000 0.454 113 Y N -0.706 119.410 120.300 -0.306 0.000 2.524 113 Y HA 0.318 4.866 4.550 -0.004 0.000 0.344 113 Y C 0.180 176.314 175.900 0.390 0.000 1.012 113 Y CA -0.734 57.383 58.100 0.029 0.000 1.068 113 Y CB 2.327 40.771 38.460 -0.026 0.000 1.249 113 Y HN 0.344 nan 8.280 nan 0.000 0.468 114 S N 2.620 118.654 115.700 0.556 0.000 2.667 114 S HA 0.336 4.804 4.470 -0.003 0.000 0.304 114 S C -1.045 173.738 174.600 0.305 0.000 1.135 114 S CA -0.875 57.642 58.200 0.528 0.000 1.125 114 S CB -0.084 63.484 63.200 0.613 0.000 0.996 114 S HN 0.471 nan 8.310 nan 0.000 0.474 115 N N 3.384 122.199 118.700 0.191 0.000 2.426 115 N HA 0.676 5.414 4.740 -0.003 0.000 0.275 115 N C -0.707 174.833 175.510 0.050 0.000 1.019 115 N CA -0.197 52.831 53.050 -0.037 0.000 0.941 115 N CB 0.866 39.352 38.487 -0.001 0.000 1.123 115 N HN 0.543 nan 8.380 nan 0.000 0.486 116 F N -1.470 118.535 119.950 0.092 0.000 2.685 116 F HA 0.529 5.056 4.527 -0.000 0.000 0.315 116 F C 0.035 175.874 175.800 0.065 0.000 1.126 116 F CA -1.255 56.791 58.000 0.077 0.000 0.950 116 F CB 0.718 39.773 39.000 0.091 0.000 1.360 116 F HN -0.016 nan 8.300 nan 0.000 0.469 117 E N 0.837 121.254 120.200 0.361 0.000 2.404 117 E HA 0.174 4.522 4.350 -0.003 0.000 0.261 117 E C -0.369 176.422 176.600 0.318 0.000 1.074 117 E CA -0.079 56.459 56.400 0.231 0.000 0.917 117 E CB 0.779 30.610 29.700 0.218 0.000 0.965 117 E HN 0.666 nan 8.360 nan 0.000 0.433 118 T N 3.035 117.723 114.554 0.222 0.000 2.871 118 T HA 0.117 4.465 4.350 -0.003 0.000 0.296 118 T C 0.550 175.431 174.700 0.301 0.000 0.998 118 T CA 0.492 62.743 62.100 0.252 0.000 1.162 118 T CB 0.263 69.286 68.868 0.259 0.000 0.947 118 T HN 0.227 nan 8.240 nan 0.000 0.536 119 R N 3.961 124.578 120.500 0.195 0.000 2.510 119 R HA 0.272 4.610 4.340 -0.003 0.000 0.287 119 R C -2.933 173.322 176.300 -0.075 0.000 1.084 119 R CA -2.040 54.077 56.100 0.028 0.000 0.934 119 R CB 1.805 32.168 30.300 0.104 0.000 1.201 119 R HN 0.350 nan 8.270 nan 0.000 0.431 120 P HA 0.136 nan 4.420 nan 0.000 0.265 120 P C -1.341 175.892 177.300 -0.112 0.000 1.222 120 P CA 0.128 63.093 63.100 -0.224 0.000 0.767 120 P CB 1.374 32.852 31.700 -0.371 0.000 0.801 121 A N 3.777 126.567 122.820 -0.051 0.000 2.574 121 A HA 0.476 4.794 4.320 -0.003 0.000 0.297 121 A C 0.705 178.260 177.584 -0.048 0.000 1.062 121 A CA -0.744 51.279 52.037 -0.024 0.000 0.686 121 A CB 1.576 20.593 19.000 0.028 0.000 1.285 121 A HN 0.502 nan 8.150 nan 0.000 0.403 122 R N -0.071 120.387 120.500 -0.069 0.000 2.225 122 R HA 0.228 4.566 4.340 -0.003 0.000 0.194 122 R C -0.848 175.199 176.300 -0.423 0.000 0.957 122 R CA 0.686 56.648 56.100 -0.231 0.000 1.042 122 R CB 0.102 30.254 30.300 -0.248 0.000 1.004 122 R HN 0.670 nan 8.270 nan 0.000 0.509 123 Y N -0.084 120.153 120.300 -0.106 0.000 2.446 123 Y HA 0.546 5.095 4.550 -0.003 0.000 0.338 123 Y C -0.495 175.488 175.900 0.138 0.000 1.055 123 Y CA -1.012 57.074 58.100 -0.024 0.000 1.101 123 Y CB 2.284 40.709 38.460 -0.058 0.000 1.221 123 Y HN -0.323 nan 8.280 nan 0.000 0.460 124 V N 3.169 123.314 119.914 0.386 0.000 2.733 124 V HA 0.554 4.672 4.120 -0.003 0.000 0.306 124 V C -0.887 175.375 176.094 0.279 0.000 1.084 124 V CA -1.106 61.395 62.300 0.336 0.000 0.905 124 V CB 2.150 34.045 31.823 0.119 0.000 1.010 124 V HN 0.762 nan 8.190 nan 0.000 0.424 125 R N 3.636 124.252 120.500 0.192 0.000 2.561 125 R HA 0.795 5.133 4.340 -0.003 0.000 0.297 125 R C -2.040 174.318 176.300 0.096 0.000 0.969 125 R CA -0.709 55.354 56.100 -0.062 0.000 0.879 125 R CB 1.890 31.759 30.300 -0.719 0.000 1.178 125 R HN 0.603 nan 8.270 nan 0.000 0.445 126 L N 5.129 126.429 121.223 0.128 0.000 2.325 126 L HA 0.490 4.828 4.340 -0.003 0.000 0.281 126 L C -1.582 175.395 176.870 0.179 0.000 1.004 126 L CA -0.526 54.428 54.840 0.191 0.000 0.823 126 L CB 2.048 44.247 42.059 0.233 0.000 1.236 126 L HN 0.410 nan 8.230 nan 0.000 0.415 127 V N 4.794 124.814 119.914 0.176 0.000 2.398 127 V HA 0.735 4.853 4.120 -0.003 0.000 0.286 127 V C 0.408 176.609 176.094 0.180 0.000 1.026 127 V CA -0.489 61.904 62.300 0.154 0.000 0.868 127 V CB 1.289 33.186 31.823 0.124 0.000 0.982 127 V HN 0.934 nan 8.190 nan 0.000 0.443 128 A N 5.526 128.470 122.820 0.208 0.000 2.316 128 A HA 0.573 4.891 4.320 -0.003 0.000 0.311 128 A C 0.833 178.488 177.584 0.119 0.000 1.339 128 A CA -0.353 51.812 52.037 0.213 0.000 0.960 128 A CB -0.000 19.172 19.000 0.288 0.000 1.152 128 A HN 0.688 nan 8.150 nan 0.000 0.547 129 I N 1.663 122.284 120.570 0.084 0.000 2.585 129 I HA 0.010 4.178 4.170 -0.003 0.000 0.254 129 I C 1.428 177.559 176.117 0.022 0.000 1.129 129 I CA 1.686 63.003 61.300 0.028 0.000 1.455 129 I CB -1.131 36.876 38.000 0.012 0.000 1.111 129 I HN 0.687 nan 8.210 nan 0.000 0.433 130 T N -1.376 113.214 114.554 0.060 0.000 2.909 130 T HA 0.394 4.742 4.350 -0.003 0.000 0.299 130 T C -0.432 174.329 174.700 0.102 0.000 1.073 130 T CA -0.740 61.396 62.100 0.060 0.000 0.999 130 T CB 3.103 72.000 68.868 0.048 0.000 1.098 130 T HN 0.048 nan 8.240 nan 0.000 0.477 131 E N 1.077 121.323 120.200 0.077 0.000 2.313 131 E HA 0.482 4.830 4.350 -0.003 0.000 0.272 131 E C 1.152 177.817 176.600 0.110 0.000 1.038 131 E CA -0.307 56.154 56.400 0.103 0.000 0.863 131 E CB 1.641 31.376 29.700 0.058 0.000 1.060 131 E HN 0.860 nan 8.360 nan 0.000 0.402 132 A N 4.119 127.034 122.820 0.159 0.000 2.121 132 A HA -0.160 4.158 4.320 -0.003 0.000 0.218 132 A C 1.081 178.722 177.584 0.096 0.000 1.154 132 A CA 1.459 53.586 52.037 0.149 0.000 0.679 132 A CB -0.303 18.839 19.000 0.236 0.000 0.795 132 A HN 0.660 nan 8.150 nan 0.000 0.458 133 N N -1.753 116.986 118.700 0.066 0.000 2.184 133 N HA 0.372 5.110 4.740 -0.003 0.000 0.206 133 N C 0.700 176.214 175.510 0.006 0.000 1.151 133 N CA 0.694 53.761 53.050 0.030 0.000 0.878 133 N CB 0.940 39.433 38.487 0.009 0.000 1.014 133 N HN 0.470 nan 8.380 nan 0.000 0.512 134 G N 0.264 109.065 108.800 0.000 0.000 2.130 134 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.216 134 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.216 134 G C -0.287 174.559 174.900 -0.090 0.000 0.999 134 G CA -0.330 44.753 45.100 -0.029 0.000 0.686 134 G HN 0.095 nan 8.290 nan 0.000 0.515 135 Q N -0.797 118.931 119.800 -0.120 0.000 2.249 135 Q HA 0.472 4.810 4.340 -0.003 0.000 0.226 135 Q C -1.431 174.329 176.000 -0.400 0.000 0.983 135 Q CA -2.011 53.602 55.803 -0.316 0.000 0.930 135 Q CB 0.721 29.292 28.738 -0.279 0.000 1.193 135 Q HN 0.189 nan 8.270 nan 0.000 0.508 136 P HA -0.022 nan 4.420 nan 0.000 0.227 136 P C -0.353 176.746 177.300 -0.334 0.000 1.161 136 P CA 0.708 63.481 63.100 -0.546 0.000 0.788 136 P CB 0.292 31.571 31.700 -0.702 0.000 0.822 137 W N -0.067 121.250 121.300 0.029 0.000 2.283 137 W HA 0.423 5.082 4.660 -0.002 0.000 0.341 137 W C 0.003 176.381 176.519 -0.236 0.000 1.206 137 W CA 0.040 57.281 57.345 -0.172 0.000 1.294 137 W CB -0.139 29.119 29.460 -0.337 0.000 1.154 137 W HN -0.302 nan 8.180 nan 0.000 0.613 138 T N 1.598 116.005 114.554 -0.246 0.000 2.886 138 T HA 0.416 4.764 4.350 -0.003 0.000 0.292 138 T C -0.545 173.726 174.700 -0.716 0.000 1.012 138 T CA -0.576 61.343 62.100 -0.302 0.000 0.982 138 T CB 1.697 70.537 68.868 -0.046 0.000 1.018 138 T HN 0.364 nan 8.240 nan 0.000 0.451 139 S N 2.656 118.070 115.700 -0.476 0.000 2.548 139 S HA 0.816 5.284 4.470 -0.003 0.000 0.276 139 S C -1.178 173.365 174.600 -0.094 0.000 1.129 139 S CA -0.836 57.085 58.200 -0.464 0.000 0.931 139 S CB 0.974 63.774 63.200 -0.666 0.000 1.068 139 S HN 0.631 nan 8.310 nan 0.000 0.480 140 I N 2.766 123.420 120.570 0.141 0.000 2.512 140 I HA 0.466 4.634 4.170 -0.003 0.000 0.287 140 I C 0.923 177.192 176.117 0.254 0.000 1.069 140 I CA -1.032 60.397 61.300 0.215 0.000 1.056 140 I CB 1.907 40.088 38.000 0.302 0.000 1.229 140 I HN 0.886 nan 8.210 nan 0.000 0.429 141 A N 4.939 127.858 122.820 0.166 0.000 1.840 141 A HA 0.130 4.448 4.320 -0.003 0.000 0.214 141 A C 0.751 178.416 177.584 0.135 0.000 1.198 141 A CA 1.379 53.541 52.037 0.209 0.000 0.608 141 A CB 0.119 19.204 19.000 0.141 0.000 0.839 141 A HN 0.629 nan 8.150 nan 0.000 0.443 142 E N -1.557 118.673 120.200 0.050 0.000 2.317 142 E HA 0.673 5.021 4.350 -0.003 0.000 0.270 142 E C -1.692 174.879 176.600 -0.049 0.000 0.885 142 E CA -0.406 55.997 56.400 0.005 0.000 0.760 142 E CB 1.999 31.691 29.700 -0.013 0.000 1.227 142 E HN 0.333 nan 8.360 nan 0.000 0.434 143 I N 2.372 122.908 120.570 -0.057 0.000 2.512 143 I HA 0.363 4.531 4.170 -0.003 0.000 0.287 143 I C -1.316 174.818 176.117 0.029 0.000 1.069 143 I CA -0.384 60.877 61.300 -0.065 0.000 1.056 143 I CB 0.946 38.822 38.000 -0.207 0.000 1.229 143 I HN 0.244 nan 8.210 nan 0.000 0.429 144 N N 5.810 124.519 118.700 0.016 0.000 2.265 144 N HA 0.601 5.339 4.740 -0.003 0.000 0.300 144 N C -1.525 173.890 175.510 -0.158 0.000 1.148 144 N CA -0.465 52.537 53.050 -0.080 0.000 0.772 144 N CB 3.032 41.344 38.487 -0.290 0.000 1.434 144 N HN 0.179 nan 8.380 nan 0.000 0.481 145 V N 2.328 122.119 119.914 -0.206 0.000 2.540 145 V HA 0.532 4.650 4.120 -0.003 0.000 0.302 145 V C -0.763 175.085 176.094 -0.410 0.000 1.035 145 V CA -0.670 61.553 62.300 -0.128 0.000 0.873 145 V CB 0.903 32.742 31.823 0.027 0.000 0.992 145 V HN 0.450 nan 8.190 nan 0.000 0.428 146 F N 2.590 122.607 119.950 0.110 0.000 2.440 146 F HA 0.753 5.277 4.527 -0.004 0.000 0.328 146 F C 0.377 176.203 175.800 0.044 0.000 1.070 146 F CA -0.680 57.358 58.000 0.064 0.000 1.011 146 F CB 1.427 40.442 39.000 0.025 0.000 1.226 146 F HN 0.576 nan 8.300 nan 0.000 0.491 147 Q N 1.042 120.975 119.800 0.222 0.000 2.421 147 Q HA 0.860 5.198 4.340 -0.003 0.000 0.280 147 Q C -1.663 174.399 176.000 0.104 0.000 1.085 147 Q CA -1.395 54.487 55.803 0.132 0.000 0.807 147 Q CB 2.257 31.057 28.738 0.103 0.000 1.405 147 Q HN 0.783 nan 8.270 nan 0.000 0.419 148 A N 1.211 124.077 122.820 0.077 0.000 2.286 148 A HA 0.451 4.769 4.320 -0.003 0.000 0.286 148 A C 0.864 178.479 177.584 0.051 0.000 1.097 148 A CA -0.062 52.004 52.037 0.049 0.000 0.821 148 A CB 0.800 19.832 19.000 0.053 0.000 1.076 148 A HN 0.982 nan 8.150 nan 0.000 0.490 149 S N 0.354 116.073 115.700 0.031 0.000 2.406 149 S HA 0.045 4.513 4.470 -0.003 0.000 0.228 149 S C 0.856 175.478 174.600 0.037 0.000 1.020 149 S CA 0.919 59.136 58.200 0.029 0.000 0.965 149 S CB -0.592 62.614 63.200 0.011 0.000 0.798 149 S HN 1.623 nan 8.310 nan 0.000 0.488 150 S N -0.591 115.135 115.700 0.042 0.000 2.618 150 S HA 0.665 5.133 4.470 -0.003 0.000 0.277 150 S C -1.584 173.089 174.600 0.122 0.000 1.138 150 S CA -0.899 57.339 58.200 0.062 0.000 0.844 150 S CB 1.369 64.580 63.200 0.018 0.000 1.127 150 S HN 0.289 nan 8.310 nan 0.000 0.474 151 Y N 1.515 121.814 120.300 -0.001 0.000 2.331 151 Y HA 0.610 5.157 4.550 -0.005 0.000 0.334 151 Y C -0.898 175.003 175.900 0.001 0.000 0.960 151 Y CA -0.476 57.627 58.100 0.005 0.000 1.130 151 Y CB 1.690 40.160 38.460 0.017 0.000 1.164 151 Y HN 0.960 nan 8.280 nan 0.000 0.458 152 T N 3.534 117.722 114.554 -0.610 0.000 2.890 152 T HA 0.774 5.122 4.350 -0.003 0.000 0.295 152 T C -0.320 173.914 174.700 -0.776 0.000 0.993 152 T CA -0.740 61.029 62.100 -0.552 0.000 0.979 152 T CB 1.135 69.856 68.868 -0.245 0.000 0.967 152 T HN 0.864 nan 8.240 nan 0.000 0.441 153 A N 4.937 127.314 122.820 -0.739 0.000 2.440 153 A HA 0.617 4.935 4.320 -0.003 0.000 0.251 153 A C -1.786 175.682 177.584 -0.194 0.000 1.089 153 A CA -1.199 50.575 52.037 -0.440 0.000 0.779 153 A CB -0.659 18.235 19.000 -0.177 0.000 1.022 153 A HN 0.674 nan 8.150 nan 0.000 0.492 154 P HA -0.004 nan 4.420 nan 0.000 0.266 154 P C -0.384 176.884 177.300 -0.054 0.000 1.186 154 P CA 0.268 63.345 63.100 -0.039 0.000 0.767 154 P CB 0.346 32.044 31.700 -0.004 0.000 0.820 155 Q N 2.592 122.370 119.800 -0.037 0.000 2.259 155 Q HA 0.280 4.618 4.340 -0.003 0.000 0.249 155 Q C -2.030 173.935 176.000 -0.059 0.000 0.914 155 Q CA -1.722 54.057 55.803 -0.039 0.000 0.904 155 Q CB 0.572 29.297 28.738 -0.021 0.000 1.213 155 Q HN 0.353 nan 8.270 nan 0.000 0.428 156 P HA 0.052 nan 4.420 nan 0.000 0.271 156 P C 0.321 177.572 177.300 -0.082 0.000 1.216 156 P CA 0.399 63.443 63.100 -0.094 0.000 0.776 156 P CB 0.689 32.345 31.700 -0.072 0.000 0.881 157 G N 1.818 110.549 108.800 -0.115 0.000 2.176 157 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.253 157 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.253 157 G C 0.286 175.143 174.900 -0.072 0.000 0.979 157 G CA 0.097 45.145 45.100 -0.086 0.000 0.641 157 G HN 0.510 nan 8.290 nan 0.000 0.530 158 L N 0.758 121.942 121.223 -0.065 0.000 3.110 158 L HA 0.527 4.865 4.340 -0.003 0.000 0.266 158 L C 1.385 178.274 176.870 0.033 0.000 1.257 158 L CA 0.005 54.855 54.840 0.017 0.000 1.038 158 L CB -0.054 42.041 42.059 0.059 0.000 1.395 158 L HN 0.991 nan 8.230 nan 0.000 0.566 159 G N 1.064 109.764 108.800 -0.166 0.000 2.846 159 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.660 159 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.660 159 G C -0.808 173.908 174.900 -0.307 0.000 1.464 159 G CA -0.825 44.009 45.100 -0.442 0.000 0.891 159 G HN 0.193 nan 8.290 nan 0.000 0.552 160 R N -1.010 119.190 120.500 -0.500 0.000 2.604 160 R HA 0.518 4.856 4.340 -0.003 0.000 0.281 160 R C -0.930 175.309 176.300 -0.102 0.000 1.020 160 R CA -0.926 55.078 56.100 -0.159 0.000 0.899 160 R CB 1.274 31.505 30.300 -0.115 0.000 1.205 160 R HN 0.569 nan 8.270 nan 0.000 0.450 161 W N 0.537 121.922 121.300 0.141 0.000 2.436 161 W HA 0.661 5.321 4.660 -0.000 0.000 0.347 161 W C 0.664 177.248 176.519 0.108 0.000 1.136 161 W CA 0.215 57.669 57.345 0.181 0.000 1.286 161 W CB 1.713 31.296 29.460 0.205 0.000 1.253 161 W HN 0.807 nan 8.180 nan 0.000 0.617 162 G N 2.255 111.297 108.800 0.402 0.000 2.592 162 G HA2 0.040 3.998 3.960 -0.003 0.000 0.685 162 G HA3 0.040 3.998 3.960 -0.003 0.000 0.685 162 G C -2.923 172.066 174.900 0.150 0.000 1.278 162 G CA -1.464 43.777 45.100 0.235 0.000 0.822 162 G HN 0.257 nan 8.290 nan 0.000 0.652 163 P HA 0.556 nan 4.420 nan 0.000 0.302 163 P C -0.031 177.312 177.300 0.070 0.000 1.307 163 P CA -0.112 63.030 63.100 0.070 0.000 0.754 163 P CB 0.692 32.399 31.700 0.012 0.000 1.298 164 T N 0.806 115.393 114.554 0.055 0.000 2.795 164 T HA 0.414 4.762 4.350 -0.003 0.000 0.282 164 T C -0.023 174.642 174.700 -0.058 0.000 0.980 164 T CA -0.196 61.931 62.100 0.044 0.000 1.012 164 T CB 0.046 69.011 68.868 0.161 0.000 0.936 164 T HN 0.109 nan 8.240 nan 0.000 0.457 165 I N 3.723 124.202 120.570 -0.153 0.000 2.307 165 I HA 0.288 4.456 4.170 -0.003 0.000 0.289 165 I C 0.192 176.246 176.117 -0.106 0.000 1.021 165 I CA -1.381 59.762 61.300 -0.261 0.000 1.224 165 I CB 0.742 38.404 38.000 -0.563 0.000 1.376 165 I HN 0.502 nan 8.210 nan 0.000 0.470 166 D N 7.264 127.619 120.400 -0.075 0.000 2.312 166 D HA 0.421 5.059 4.640 -0.003 0.000 0.252 166 D C 0.035 176.389 176.300 0.091 0.000 1.150 166 D CA 0.008 54.049 54.000 0.069 0.000 0.870 166 D CB 1.653 42.501 40.800 0.079 0.000 1.153 166 D HN 0.304 nan 8.370 nan 0.000 0.457 167 L N 3.768 125.122 121.223 0.218 0.000 2.334 167 L HA 0.304 4.642 4.340 -0.003 0.000 0.273 167 L C -1.367 175.719 176.870 0.361 0.000 1.013 167 L CA -1.915 53.080 54.840 0.259 0.000 0.816 167 L CB 2.291 44.497 42.059 0.245 0.000 1.278 167 L HN 0.126 nan 8.230 nan 0.000 0.431 168 P HA -0.039 nan 4.420 nan 0.000 0.226 168 P C -0.021 177.479 177.300 0.332 0.000 1.153 168 P CA 1.156 64.491 63.100 0.393 0.000 0.777 168 P CB 0.195 32.155 31.700 0.434 0.000 0.794 169 I N -5.535 115.234 120.570 0.331 0.000 3.239 169 I HA 0.502 4.670 4.170 -0.003 0.000 0.314 169 I C -0.889 175.304 176.117 0.126 0.000 1.126 169 I CA -1.722 59.717 61.300 0.231 0.000 0.973 169 I CB 2.468 40.529 38.000 0.103 0.000 1.252 169 I HN -0.506 nan 8.210 nan 0.000 0.463 170 V N 3.432 123.266 119.914 -0.134 0.000 2.385 170 V HA 0.329 4.447 4.120 -0.003 0.000 0.269 170 V C -2.084 173.950 176.094 -0.100 0.000 1.043 170 V CA -1.316 60.831 62.300 -0.256 0.000 0.906 170 V CB 0.718 32.311 31.823 -0.384 0.000 0.995 170 V HN 0.607 nan 8.190 nan 0.000 0.467 171 P HA 0.214 nan 4.420 nan 0.000 0.252 171 P C 0.387 177.602 177.300 -0.142 0.000 1.727 171 P CA -0.069 63.003 63.100 -0.048 0.000 1.134 171 P CB 0.947 32.680 31.700 0.055 0.000 1.876 172 A N 2.605 125.301 122.820 -0.206 0.000 2.178 172 A HA 0.471 4.789 4.320 -0.003 0.000 0.211 172 A C 1.032 178.375 177.584 -0.402 0.000 1.157 172 A CA 0.549 52.401 52.037 -0.308 0.000 0.780 172 A CB 0.063 18.839 19.000 -0.372 0.000 0.828 172 A HN 0.511 nan 8.150 nan 0.000 0.476 173 A N -1.113 121.381 122.820 -0.543 0.000 2.455 173 A HA 0.790 5.108 4.320 -0.003 0.000 0.300 173 A C -0.461 176.574 177.584 -0.915 0.000 1.040 173 A CA 0.145 51.650 52.037 -0.886 0.000 0.697 173 A CB 1.051 19.121 19.000 -1.550 0.000 1.265 173 A HN 1.527 nan 8.150 nan 0.000 0.407 174 A N 0.312 122.725 122.820 -0.678 0.000 2.602 174 A HA 1.083 5.401 4.320 -0.003 0.000 0.290 174 A C -0.560 176.900 177.584 -0.206 0.000 1.114 174 A CA -0.098 51.724 52.037 -0.359 0.000 0.683 174 A CB 1.239 20.186 19.000 -0.087 0.000 1.281 174 A HN 2.739 nan 8.150 nan 0.000 0.416 175 A N 0.222 123.006 122.820 -0.060 0.000 2.605 175 A HA 0.621 4.939 4.320 -0.003 0.000 0.294 175 A C -1.428 176.152 177.584 -0.007 0.000 1.062 175 A CA -0.474 51.576 52.037 0.021 0.000 0.682 175 A CB 0.677 19.748 19.000 0.118 0.000 1.278 175 A HN 0.857 nan 8.150 nan 0.000 0.410 176 I N 1.283 121.866 120.570 0.023 0.000 2.396 176 I HA 0.258 4.426 4.170 -0.003 0.000 0.292 176 I C 0.389 176.448 176.117 -0.097 0.000 0.999 176 I CA -0.029 61.269 61.300 -0.003 0.000 1.310 176 I CB 1.033 39.123 38.000 0.149 0.000 1.404 176 I HN 0.725 nan 8.210 nan 0.000 0.496 177 E N 7.766 127.879 120.200 -0.144 0.000 2.105 177 E HA 0.157 4.505 4.350 -0.003 0.000 0.285 177 E C -1.599 174.787 176.600 -0.357 0.000 1.055 177 E CA -1.473 54.832 56.400 -0.157 0.000 0.843 177 E CB 1.062 30.716 29.700 -0.076 0.000 1.067 177 E HN 0.356 nan 8.360 nan 0.000 0.398 178 P HA -0.223 nan 4.420 nan 0.000 0.214 178 P C 1.543 178.380 177.300 -0.770 0.000 1.163 178 P CA 1.551 63.956 63.100 -1.158 0.000 0.883 178 P CB 0.001 30.810 31.700 -1.486 0.000 0.788 179 T N -3.359 110.819 114.554 -0.628 0.000 2.995 179 T HA -0.058 4.290 4.350 -0.003 0.000 0.269 179 T C 1.746 176.318 174.700 -0.213 0.000 1.091 179 T CA 1.566 63.449 62.100 -0.362 0.000 1.128 179 T CB -0.962 67.738 68.868 -0.280 0.000 0.891 179 T HN 0.231 nan 8.240 nan 0.000 0.492 180 S N -0.432 115.145 115.700 -0.206 0.000 2.524 180 S HA 0.497 4.964 4.470 -0.003 0.000 0.222 180 S C 1.956 176.474 174.600 -0.136 0.000 1.040 180 S CA 0.484 58.602 58.200 -0.136 0.000 0.915 180 S CB -0.218 62.921 63.200 -0.101 0.000 0.831 180 S HN 1.207 nan 8.310 nan 0.000 0.492 181 G N 1.845 110.551 108.800 -0.156 0.000 2.162 181 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.260 181 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.260 181 G C 0.097 174.909 174.900 -0.148 0.000 0.976 181 G CA 0.133 45.170 45.100 -0.105 0.000 0.655 181 G HN 0.578 nan 8.290 nan 0.000 0.533 182 R N -0.466 119.939 120.500 -0.159 0.000 2.500 182 R HA 0.494 4.832 4.340 -0.003 0.000 0.275 182 R C 0.172 176.378 176.300 -0.156 0.000 1.051 182 R CA -0.499 55.491 56.100 -0.184 0.000 1.088 182 R CB 1.426 31.647 30.300 -0.132 0.000 1.063 182 R HN 0.085 nan 8.270 nan 0.000 0.511 183 V N 4.286 124.097 119.914 -0.171 0.000 2.406 183 V HA 0.198 4.316 4.120 -0.003 0.000 0.272 183 V C -0.175 175.869 176.094 -0.083 0.000 1.043 183 V CA -0.611 61.580 62.300 -0.181 0.000 0.915 183 V CB 1.070 32.632 31.823 -0.434 0.000 0.988 183 V HN 0.478 nan 8.190 nan 0.000 0.466 184 L N 6.850 128.035 121.223 -0.062 0.000 2.282 184 L HA 0.738 5.076 4.340 -0.003 0.000 0.288 184 L C -0.375 176.545 176.870 0.083 0.000 1.033 184 L CA 0.196 55.048 54.840 0.020 0.000 0.807 184 L CB 1.245 43.249 42.059 -0.092 0.000 1.209 184 L HN 0.663 nan 8.230 nan 0.000 0.423 185 M N 4.791 124.484 119.600 0.156 0.000 2.530 185 M HA 0.577 5.054 4.480 -0.003 0.000 0.307 185 M C -1.606 174.866 176.300 0.287 0.000 1.161 185 M CA -0.312 55.047 55.300 0.098 0.000 0.903 185 M CB 2.061 34.731 32.600 0.116 0.000 1.711 185 M HN 0.707 nan 8.290 nan 0.000 0.451 186 W N 0.223 121.566 121.300 0.073 0.000 3.083 186 W HA 0.828 5.485 4.660 -0.004 0.000 0.333 186 W C -0.511 176.038 176.519 0.051 0.000 1.217 186 W CA -0.557 56.820 57.345 0.054 0.000 1.170 186 W CB 0.231 29.709 29.460 0.031 0.000 1.437 186 W HN 0.691 nan 8.180 nan 0.000 0.557 187 S N 0.535 116.420 115.700 0.309 0.000 3.169 187 S HA 0.699 5.167 4.470 -0.003 0.000 0.174 187 S C 0.465 175.254 174.600 0.315 0.000 0.696 187 S CA 0.715 59.027 58.200 0.187 0.000 0.819 187 S CB 0.408 63.637 63.200 0.049 0.000 0.867 187 S HN 0.987 nan 8.310 nan 0.000 0.680 188 S N -0.798 115.024 115.700 0.203 0.000 3.241 188 S HA 0.268 4.736 4.470 -0.003 0.000 0.305 188 S C 0.106 174.811 174.600 0.175 0.000 1.234 188 S CA 0.186 58.536 58.200 0.250 0.000 1.238 188 S CB -0.739 62.549 63.200 0.147 0.000 1.504 188 S HN 0.693 nan 8.310 nan 0.000 0.508 189 Y N 2.014 122.342 120.300 0.048 0.000 2.421 189 Y HA 0.460 5.008 4.550 -0.003 0.000 0.292 189 Y C 0.704 176.608 175.900 0.007 0.000 1.136 189 Y CA 0.723 58.838 58.100 0.024 0.000 1.255 189 Y CB -0.161 38.313 38.460 0.023 0.000 0.991 189 Y HN 0.285 nan 8.280 nan 0.000 0.552 190 R N 1.066 121.240 120.500 -0.543 0.000 2.854 190 R HA 0.173 4.511 4.340 -0.003 0.000 0.271 190 R C 0.986 177.102 176.300 -0.306 0.000 0.994 190 R CA -0.137 55.650 56.100 -0.522 0.000 0.945 190 R CB 0.781 30.622 30.300 -0.765 0.000 1.194 190 R HN 0.264 nan 8.270 nan 0.000 0.476 191 N N 0.865 119.354 118.700 -0.353 0.000 2.309 191 N HA -0.174 4.564 4.740 -0.003 0.000 0.182 191 N C 0.236 175.652 175.510 -0.157 0.000 1.018 191 N CA 1.708 54.572 53.050 -0.309 0.000 0.876 191 N CB 0.082 38.103 38.487 -0.775 0.000 0.972 191 N HN 0.662 nan 8.380 nan 0.000 0.434 192 D N -1.217 119.078 120.400 -0.174 0.000 2.563 192 D HA 0.442 5.080 4.640 -0.003 0.000 0.237 192 D C -0.260 175.950 176.300 -0.149 0.000 1.282 192 D CA -0.484 53.448 54.000 -0.115 0.000 0.816 192 D CB 0.265 41.120 40.800 0.091 0.000 1.066 192 D HN 0.381 nan 8.370 nan 0.000 0.501 193 A N -0.363 122.337 122.820 -0.201 0.000 2.601 193 A HA 0.556 4.874 4.320 -0.003 0.000 0.291 193 A C -1.046 176.423 177.584 -0.192 0.000 1.075 193 A CA -0.703 51.204 52.037 -0.217 0.000 0.671 193 A CB 0.313 19.148 19.000 -0.275 0.000 1.277 193 A HN 0.155 nan 8.150 nan 0.000 0.417 194 F N -0.584 119.240 119.950 -0.210 0.000 2.784 194 F HA 0.514 5.039 4.527 -0.004 0.000 0.316 194 F C 1.076 176.917 175.800 0.068 0.000 1.026 194 F CA 0.094 57.981 58.000 -0.188 0.000 1.188 194 F CB -0.327 38.033 39.000 -1.067 0.000 0.999 194 F HN 0.837 nan 8.300 nan 0.000 0.605 195 G N 1.120 109.188 108.800 -1.219 0.000 2.225 195 G HA2 0.309 4.267 3.960 -0.003 0.000 0.245 195 G HA3 0.309 4.267 3.960 -0.003 0.000 0.245 195 G C 1.027 175.789 174.900 -0.230 0.000 1.249 195 G CA 0.217 44.857 45.100 -0.765 0.000 0.919 195 G HN 1.403 nan 8.290 nan 0.000 0.486 196 G N 1.031 109.734 108.800 -0.162 0.000 2.338 196 G HA2 -0.132 3.826 3.960 -0.003 0.000 0.296 196 G HA3 -0.132 3.826 3.960 -0.003 0.000 0.296 196 G C 0.599 175.299 174.900 -0.333 0.000 1.040 196 G CA 0.614 45.620 45.100 -0.156 0.000 1.004 196 G HN 1.414 nan 8.290 nan 0.000 0.509 197 S N -0.125 115.304 115.700 -0.451 0.000 2.565 197 S HA 0.566 5.034 4.470 -0.003 0.000 0.276 197 S C 0.016 174.323 174.600 -0.489 0.000 1.326 197 S CA -0.519 57.117 58.200 -0.939 0.000 1.045 197 S CB 1.024 63.937 63.200 -0.478 0.000 0.918 197 S HN 0.206 nan 8.310 nan 0.000 0.505 198 P HA 0.264 nan 4.420 nan 0.000 0.245 198 P C 0.720 177.947 177.300 -0.120 0.000 1.206 198 P CA 0.489 63.463 63.100 -0.209 0.000 0.781 198 P CB -0.574 31.037 31.700 -0.149 0.000 0.994 199 G N -0.331 108.396 108.800 -0.122 0.000 2.877 199 G HA2 0.121 4.079 3.960 -0.003 0.000 0.279 199 G HA3 0.121 4.079 3.960 -0.003 0.000 0.279 199 G C 0.663 175.574 174.900 0.019 0.000 1.431 199 G CA -0.073 45.021 45.100 -0.009 0.000 0.883 199 G HN 0.742 nan 8.290 nan 0.000 0.547 200 G N -1.526 107.306 108.800 0.052 0.000 2.184 200 G HA2 0.026 3.984 3.960 -0.003 0.000 0.264 200 G HA3 0.026 3.984 3.960 -0.003 0.000 0.264 200 G C 0.442 175.363 174.900 0.035 0.000 0.975 200 G CA 1.351 46.478 45.100 0.045 0.000 0.642 200 G HN 2.257 nan 8.290 nan 0.000 0.536 201 I N 0.043 120.644 120.570 0.051 0.000 2.722 201 I HA 0.706 4.874 4.170 -0.003 0.000 0.295 201 I C -0.984 175.149 176.117 0.028 0.000 1.161 201 I CA -0.579 60.741 61.300 0.034 0.000 1.032 201 I CB 2.197 40.248 38.000 0.084 0.000 1.244 201 I HN 0.002 nan 8.210 nan 0.000 0.421 202 T N 7.122 121.638 114.554 -0.063 0.000 2.916 202 T HA 0.468 4.816 4.350 -0.003 0.000 0.298 202 T C -0.943 173.730 174.700 -0.045 0.000 1.031 202 T CA -0.381 61.670 62.100 -0.080 0.000 0.993 202 T CB 1.727 70.425 68.868 -0.284 0.000 1.045 202 T HN 0.423 nan 8.240 nan 0.000 0.454 203 L N 3.793 125.040 121.223 0.041 0.000 2.275 203 L HA 0.632 4.970 4.340 -0.003 0.000 0.288 203 L C 0.625 177.575 176.870 0.134 0.000 1.046 203 L CA 0.007 54.893 54.840 0.077 0.000 0.805 203 L CB 1.056 43.153 42.059 0.063 0.000 1.193 203 L HN 0.868 nan 8.230 nan 0.000 0.426 204 T N 0.472 115.111 114.554 0.141 0.000 2.930 204 T HA 0.781 5.129 4.350 -0.003 0.000 0.290 204 T C -0.511 174.318 174.700 0.215 0.000 1.052 204 T CA -0.707 61.525 62.100 0.219 0.000 1.017 204 T CB 1.908 70.915 68.868 0.231 0.000 1.137 204 T HN 0.491 nan 8.240 nan 0.000 0.511 205 S N 0.201 116.040 115.700 0.231 0.000 2.556 205 S HA 0.753 5.221 4.470 -0.003 0.000 0.271 205 S C -1.195 173.519 174.600 0.190 0.000 1.135 205 S CA -0.368 57.956 58.200 0.207 0.000 0.858 205 S CB 1.459 64.786 63.200 0.212 0.000 1.114 205 S HN 1.561 nan 8.310 nan 0.000 0.468 206 S N 2.334 118.140 115.700 0.177 0.000 2.569 206 S HA 0.797 5.265 4.470 -0.003 0.000 0.280 206 S C -1.879 172.853 174.600 0.220 0.000 1.111 206 S CA -0.659 57.630 58.200 0.148 0.000 0.887 206 S CB 1.484 64.738 63.200 0.089 0.000 1.095 206 S HN 0.882 nan 8.310 nan 0.000 0.476 207 W N 2.744 124.027 121.300 -0.028 0.000 2.781 207 W HA 0.563 5.222 4.660 -0.001 0.000 0.333 207 W C -1.741 174.740 176.519 -0.063 0.000 1.047 207 W CA -0.643 56.685 57.345 -0.028 0.000 1.236 207 W CB 1.675 31.129 29.460 -0.010 0.000 1.394 207 W HN 0.758 nan 8.180 nan 0.000 0.466 208 D N 7.890 127.930 120.400 -0.600 0.000 2.454 208 D HA 0.286 4.924 4.640 -0.003 0.000 0.225 208 D C -1.612 174.081 176.300 -1.012 0.000 1.081 208 D CA -2.233 51.393 54.000 -0.624 0.000 0.864 208 D CB 2.264 42.890 40.800 -0.290 0.000 1.040 208 D HN 0.121 nan 8.370 nan 0.000 0.517 209 P HA -0.123 nan 4.420 nan 0.000 0.225 209 P C 1.292 178.349 177.300 -0.404 0.000 1.148 209 P CA 0.819 63.320 63.100 -0.998 0.000 0.779 209 P CB 0.255 31.491 31.700 -0.773 0.000 0.780 210 S N -1.151 114.359 115.700 -0.315 0.000 2.388 210 S HA -0.080 4.388 4.470 -0.003 0.000 0.223 210 S C 1.895 176.423 174.600 -0.120 0.000 1.034 210 S CA 1.669 59.770 58.200 -0.164 0.000 0.963 210 S CB -1.776 61.343 63.200 -0.136 0.000 0.827 210 S HN 0.272 nan 8.310 nan 0.000 0.481 211 T N -3.208 111.259 114.554 -0.144 0.000 3.022 211 T HA 0.479 4.827 4.350 -0.003 0.000 0.250 211 T C 1.654 176.331 174.700 -0.039 0.000 1.060 211 T CA 0.793 62.848 62.100 -0.076 0.000 1.013 211 T CB -0.199 68.630 68.868 -0.065 0.000 0.982 211 T HN 1.258 nan 8.240 nan 0.000 0.508 212 G N 1.603 110.365 108.800 -0.063 0.000 2.168 212 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.263 212 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.263 212 G C 0.039 175.053 174.900 0.191 0.000 0.977 212 G CA 0.298 45.478 45.100 0.134 0.000 0.659 212 G HN 0.675 nan 8.290 nan 0.000 0.533 213 I N 0.850 121.464 120.570 0.074 0.000 2.416 213 I HA 0.358 4.525 4.170 -0.003 0.000 0.288 213 I C 0.542 176.771 176.117 0.188 0.000 1.051 213 I CA -0.515 60.845 61.300 0.099 0.000 1.375 213 I CB 1.481 39.504 38.000 0.038 0.000 1.407 213 I HN -0.108 nan 8.210 nan 0.000 0.516 214 V N 6.327 126.363 119.914 0.204 0.000 2.370 214 V HA 0.443 4.561 4.120 -0.003 0.000 0.283 214 V C -0.010 176.174 176.094 0.151 0.000 1.023 214 V CA -0.247 62.188 62.300 0.225 0.000 0.857 214 V CB 1.418 33.358 31.823 0.195 0.000 0.985 214 V HN 0.890 nan 8.190 nan 0.000 0.443 215 S N 3.257 119.048 115.700 0.153 0.000 2.570 215 S HA 0.807 5.275 4.470 -0.003 0.000 0.286 215 S C -1.332 173.364 174.600 0.160 0.000 1.099 215 S CA -0.950 57.331 58.200 0.136 0.000 0.913 215 S CB 2.618 65.882 63.200 0.108 0.000 1.085 215 S HN 0.784 nan 8.310 nan 0.000 0.480 216 D N -0.056 120.442 120.400 0.163 0.000 2.477 216 D HA 0.668 5.306 4.640 -0.003 0.000 0.234 216 D C -0.555 175.842 176.300 0.162 0.000 1.048 216 D CA -0.746 53.364 54.000 0.184 0.000 0.959 216 D CB 2.094 43.033 40.800 0.231 0.000 1.408 216 D HN 0.810 nan 8.370 nan 0.000 0.496 217 R N -0.328 120.270 120.500 0.164 0.000 2.633 217 R HA 0.319 4.657 4.340 -0.003 0.000 0.255 217 R C -1.725 174.642 176.300 0.111 0.000 1.106 217 R CA -0.472 55.710 56.100 0.137 0.000 0.959 217 R CB 1.447 31.835 30.300 0.147 0.000 1.259 217 R HN 0.512 nan 8.270 nan 0.000 0.453 218 T N 2.446 117.052 114.554 0.087 0.000 2.806 218 T HA 0.392 4.740 4.350 -0.003 0.000 0.290 218 T C -0.284 174.412 174.700 -0.007 0.000 0.966 218 T CA -0.606 61.522 62.100 0.047 0.000 1.060 218 T CB 1.572 70.481 68.868 0.067 0.000 0.927 218 T HN 0.250 nan 8.240 nan 0.000 0.485 219 V N 3.841 123.695 119.914 -0.099 0.000 2.357 219 V HA 0.427 4.545 4.120 -0.003 0.000 0.284 219 V C 1.230 177.229 176.094 -0.159 0.000 1.018 219 V CA -0.453 61.723 62.300 -0.207 0.000 0.841 219 V CB 1.205 32.689 31.823 -0.565 0.000 0.991 219 V HN 1.189 nan 8.190 nan 0.000 0.437 220 T N 0.985 115.492 114.554 -0.078 0.000 2.958 220 T HA -0.007 4.341 4.350 -0.003 0.000 0.256 220 T C 1.630 176.320 174.700 -0.018 0.000 0.983 220 T CA 0.934 63.013 62.100 -0.035 0.000 0.924 220 T CB 0.675 69.546 68.868 0.005 0.000 1.136 220 T HN 0.270 nan 8.240 nan 0.000 0.506 221 V N 3.576 123.486 119.914 -0.007 0.000 2.380 221 V HA -0.130 3.988 4.120 -0.003 0.000 0.251 221 V C 2.503 178.619 176.094 0.037 0.000 1.063 221 V CA 2.860 65.179 62.300 0.031 0.000 1.055 221 V CB -0.873 30.991 31.823 0.069 0.000 0.657 221 V HN 0.876 nan 8.190 nan 0.000 0.455 222 T N -3.646 110.915 114.554 0.012 0.000 3.144 222 T HA 0.145 4.493 4.350 -0.003 0.000 0.249 222 T C 0.872 175.603 174.700 0.052 0.000 1.089 222 T CA 0.185 62.315 62.100 0.049 0.000 0.989 222 T CB -0.417 68.490 68.868 0.066 0.000 0.992 222 T HN 0.548 nan 8.240 nan 0.000 0.540 223 K N 1.393 121.808 120.400 0.026 0.000 3.177 223 K HA -0.245 4.073 4.320 -0.003 0.000 0.266 223 K C -0.330 176.316 176.600 0.077 0.000 0.937 223 K CA 0.716 57.024 56.287 0.035 0.000 0.702 223 K CB -1.864 30.652 32.500 0.027 0.000 1.365 223 K HN 0.891 nan 8.250 nan 0.000 0.466 224 H N -0.225 118.800 119.070 -0.074 0.000 2.877 224 H HA 0.152 4.706 4.556 -0.003 0.000 0.347 224 H C -1.328 173.951 175.328 -0.081 0.000 1.042 224 H CA -1.076 54.927 56.048 -0.076 0.000 1.276 224 H CB 1.331 31.035 29.762 -0.096 0.000 1.681 224 H HN 0.131 nan 8.280 nan 0.000 0.521 225 D N 5.786 126.315 120.400 0.216 0.000 2.422 225 D HA 0.050 4.687 4.640 -0.003 0.000 0.227 225 D C 0.723 177.096 176.300 0.121 0.000 1.190 225 D CA -0.267 53.818 54.000 0.142 0.000 0.905 225 D CB 0.617 41.537 40.800 0.199 0.000 1.034 225 D HN 0.651 nan 8.370 nan 0.000 0.507 226 M N 3.206 122.682 119.600 -0.206 0.000 2.776 226 M HA 0.006 4.484 4.480 -0.003 0.000 0.233 226 M C 0.445 176.875 176.300 0.217 0.000 1.078 226 M CA -0.030 55.054 55.300 -0.360 0.000 1.058 226 M CB -0.259 31.764 32.600 -0.962 0.000 1.611 226 M HN 0.318 nan 8.290 nan 0.000 0.541 227 F N -0.262 119.811 119.950 0.205 0.000 2.518 227 F HA 0.045 4.570 4.527 -0.004 0.000 0.359 227 F C 0.975 176.903 175.800 0.214 0.000 1.118 227 F CA -0.237 57.911 58.000 0.247 0.000 1.287 227 F CB 0.395 39.540 39.000 0.242 0.000 1.132 227 F HN 0.163 nan 8.300 nan 0.000 0.587 228 C N 4.878 123.751 119.300 -0.713 0.000 4.300 228 C HA -0.127 4.330 4.460 -0.003 0.000 0.304 228 C C -2.226 172.663 174.990 -0.169 0.000 1.367 228 C CA 0.115 58.771 59.018 -0.603 0.000 2.032 228 C CB -2.852 24.670 27.740 -0.364 0.000 1.285 228 C HN 0.751 nan 8.230 nan 0.000 0.737 229 P HA 0.598 nan 4.420 nan 0.000 0.309 229 P C -0.057 177.261 177.300 0.030 0.000 1.302 229 P CA 0.189 63.319 63.100 0.049 0.000 0.835 229 P CB 1.155 32.961 31.700 0.177 0.000 1.324 230 G N -0.248 108.590 108.800 0.062 0.000 2.377 230 G HA2 0.651 4.609 3.960 -0.003 0.000 0.299 230 G HA3 0.651 4.609 3.960 -0.003 0.000 0.299 230 G C -0.642 174.339 174.900 0.135 0.000 1.150 230 G CA -0.741 44.398 45.100 0.064 0.000 0.847 230 G HN 0.402 nan 8.290 nan 0.000 0.501 231 I N 0.379 121.031 120.570 0.137 0.000 2.571 231 I HA 0.442 4.610 4.170 -0.003 0.000 0.289 231 I C -0.548 175.656 176.117 0.146 0.000 1.115 231 I CA -0.624 60.788 61.300 0.187 0.000 1.045 231 I CB 2.454 40.599 38.000 0.241 0.000 1.238 231 I HN 0.326 nan 8.210 nan 0.000 0.424 232 S N 5.738 121.536 115.700 0.163 0.000 2.546 232 S HA 0.532 5.000 4.470 -0.003 0.000 0.272 232 S C -0.750 173.943 174.600 0.155 0.000 1.140 232 S CA -0.629 57.661 58.200 0.151 0.000 0.920 232 S CB 2.244 65.544 63.200 0.168 0.000 1.083 232 S HN 0.720 nan 8.310 nan 0.000 0.476 233 M N 4.236 123.921 119.600 0.141 0.000 2.084 233 M HA 0.359 4.837 4.480 -0.003 0.000 0.351 233 M C -0.338 176.052 176.300 0.149 0.000 1.240 233 M CA -0.385 55.002 55.300 0.146 0.000 1.083 233 M CB 0.168 32.852 32.600 0.141 0.000 1.593 233 M HN 0.696 nan 8.290 nan 0.000 0.463 234 D N 3.809 124.302 120.400 0.155 0.000 2.433 234 D HA 0.254 4.891 4.640 -0.003 0.000 0.255 234 D C 1.156 177.532 176.300 0.127 0.000 1.226 234 D CA -0.034 54.057 54.000 0.153 0.000 1.015 234 D CB 0.223 41.133 40.800 0.183 0.000 1.091 234 D HN 0.705 nan 8.370 nan 0.000 0.527 235 G N -0.520 108.343 108.800 0.105 0.000 2.485 235 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.221 235 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.221 235 G C 1.115 176.044 174.900 0.048 0.000 1.115 235 G CA 0.474 45.620 45.100 0.077 0.000 0.751 235 G HN 0.538 nan 8.290 nan 0.000 0.567 236 N N 0.294 119.025 118.700 0.052 0.000 2.336 236 N HA 0.130 4.868 4.740 -0.003 0.000 0.189 236 N C 1.655 177.205 175.510 0.066 0.000 1.113 236 N CA 0.894 53.964 53.050 0.034 0.000 0.858 236 N CB 0.513 39.021 38.487 0.035 0.000 0.970 236 N HN 0.424 nan 8.380 nan 0.000 0.471 237 G N 0.705 109.576 108.800 0.118 0.000 2.157 237 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.239 237 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.239 237 G C -0.093 174.933 174.900 0.210 0.000 0.982 237 G CA -0.270 44.998 45.100 0.281 0.000 0.650 237 G HN 0.359 nan 8.290 nan 0.000 0.527 238 Q N -0.184 119.690 119.800 0.123 0.000 2.259 238 Q HA 0.589 4.927 4.340 -0.003 0.000 0.249 238 Q C 0.477 176.539 176.000 0.103 0.000 0.914 238 Q CA -0.404 55.439 55.803 0.066 0.000 0.904 238 Q CB 1.453 30.226 28.738 0.057 0.000 1.213 238 Q HN 0.459 nan 8.270 nan 0.000 0.428 239 I N 2.520 123.146 120.570 0.093 0.000 2.352 239 I HA 0.136 4.303 4.170 -0.003 0.000 0.290 239 I C -0.349 175.850 176.117 0.136 0.000 1.036 239 I CA -0.600 60.783 61.300 0.138 0.000 1.336 239 I CB 0.989 39.088 38.000 0.165 0.000 1.407 239 I HN 0.243 nan 8.210 nan 0.000 0.497 240 V N 7.893 127.896 119.914 0.149 0.000 2.348 240 V HA 0.195 4.313 4.120 -0.003 0.000 0.270 240 V C 0.187 176.384 176.094 0.172 0.000 1.037 240 V CA -0.541 61.835 62.300 0.128 0.000 0.872 240 V CB 1.345 33.219 31.823 0.085 0.000 1.002 240 V HN 0.405 nan 8.190 nan 0.000 0.464 241 V N 5.087 125.112 119.914 0.184 0.000 2.350 241 V HA 0.487 4.605 4.120 -0.003 0.000 0.276 241 V C 0.449 176.677 176.094 0.222 0.000 1.028 241 V CA -0.337 62.072 62.300 0.182 0.000 0.860 241 V CB 1.612 33.466 31.823 0.052 0.000 0.990 241 V HN 0.981 nan 8.190 nan 0.000 0.453 242 T N 1.687 116.352 114.554 0.186 0.000 2.829 242 T HA 0.776 5.124 4.350 -0.003 0.000 0.280 242 T C 0.586 175.342 174.700 0.094 0.000 0.999 242 T CA 0.175 62.343 62.100 0.113 0.000 0.983 242 T CB 1.591 70.446 68.868 -0.022 0.000 0.968 242 T HN 1.530 nan 8.240 nan 0.000 0.446 243 G N 2.186 110.986 108.800 0.000 0.000 2.582 243 G HA2 0.234 4.192 3.960 -0.003 0.000 0.288 243 G HA3 0.234 4.192 3.960 -0.003 0.000 0.288 243 G C 0.602 175.624 174.900 0.204 0.000 1.247 243 G CA 0.743 45.825 45.100 -0.030 0.000 0.972 243 G HN 2.609 nan 8.290 nan 0.000 0.557 244 G N -1.425 107.433 108.800 0.098 0.000 2.513 244 G HA2 -0.073 3.885 3.960 -0.003 0.000 0.227 244 G HA3 -0.073 3.885 3.960 -0.003 0.000 0.227 244 G C 0.810 175.831 174.900 0.202 0.000 1.176 244 G CA 0.732 45.927 45.100 0.158 0.000 0.967 244 G HN 1.682 nan 8.290 nan 0.000 0.587 245 N N 1.930 120.814 118.700 0.307 0.000 2.205 245 N HA 0.019 4.757 4.740 -0.003 0.000 0.186 245 N C 0.341 175.947 175.510 0.160 0.000 1.015 245 N CA 1.638 54.855 53.050 0.279 0.000 0.862 245 N CB -0.069 38.629 38.487 0.352 0.000 0.986 245 N HN 0.537 nan 8.380 nan 0.000 0.429 246 D N -0.004 120.485 120.400 0.149 0.000 2.479 246 D HA 0.252 4.889 4.640 -0.003 0.000 0.247 246 D C 0.465 176.692 176.300 -0.121 0.000 1.119 246 D CA -0.194 53.799 54.000 -0.011 0.000 0.922 246 D CB 1.040 41.815 40.800 -0.042 0.000 1.014 246 D HN 0.020 nan 8.370 nan 0.000 0.510 247 A N 2.222 125.003 122.820 -0.066 0.000 2.148 247 A HA -0.229 4.089 4.320 -0.003 0.000 0.222 247 A C 1.884 179.372 177.584 -0.160 0.000 1.161 247 A CA 1.505 53.489 52.037 -0.088 0.000 0.662 247 A CB 0.019 18.986 19.000 -0.055 0.000 0.799 247 A HN 0.303 nan 8.150 nan 0.000 0.466 248 K N -1.285 118.996 120.400 -0.198 0.000 2.402 248 K HA 0.092 4.410 4.320 -0.003 0.000 0.203 248 K C -0.110 176.321 176.600 -0.282 0.000 1.077 248 K CA -0.209 55.943 56.287 -0.225 0.000 1.051 248 K CB 0.343 32.754 32.500 -0.148 0.000 0.907 248 K HN 0.177 nan 8.250 nan 0.000 0.554 249 K N 0.934 121.105 120.400 -0.382 0.000 2.138 249 K HA 0.173 4.490 4.320 -0.003 0.000 0.251 249 K C -0.268 176.125 176.600 -0.345 0.000 1.015 249 K CA 0.133 56.164 56.287 -0.428 0.000 0.917 249 K CB 1.169 33.214 32.500 -0.757 0.000 1.021 249 K HN -0.152 nan 8.250 nan 0.000 0.485 250 T N 0.487 114.985 114.554 -0.093 0.000 2.937 250 T HA 0.316 4.664 4.350 -0.003 0.000 0.297 250 T C -0.739 174.079 174.700 0.198 0.000 0.991 250 T CA -0.665 61.499 62.100 0.107 0.000 0.990 250 T CB 1.230 70.204 68.868 0.176 0.000 0.991 250 T HN 0.349 nan 8.240 nan 0.000 0.440 251 S N 2.735 118.601 115.700 0.278 0.000 2.536 251 S HA 0.753 5.221 4.470 -0.003 0.000 0.298 251 S C -0.781 173.995 174.600 0.293 0.000 1.083 251 S CA -0.841 57.528 58.200 0.282 0.000 0.995 251 S CB 0.947 64.270 63.200 0.205 0.000 1.058 251 S HN 0.504 nan 8.310 nan 0.000 0.488 252 L N 2.742 124.147 121.223 0.303 0.000 2.362 252 L HA 0.528 4.866 4.340 -0.003 0.000 0.275 252 L C -1.305 175.617 176.870 0.088 0.000 0.998 252 L CA -0.906 54.041 54.840 0.178 0.000 0.820 252 L CB 1.262 43.386 42.059 0.108 0.000 1.270 252 L HN 0.685 nan 8.230 nan 0.000 0.415 253 Y N 2.002 122.122 120.300 -0.301 0.000 2.331 253 Y HA 0.365 4.913 4.550 -0.005 0.000 0.338 253 Y C -0.628 175.039 175.900 -0.388 0.000 0.976 253 Y CA -0.827 56.810 58.100 -0.772 0.000 1.137 253 Y CB 1.476 39.149 38.460 -1.313 0.000 1.172 253 Y HN 0.571 nan 8.280 nan 0.000 0.478 254 D N 3.700 123.445 120.400 -1.091 0.000 2.412 254 D HA 0.134 4.772 4.640 -0.003 0.000 0.224 254 D C 0.871 176.450 176.300 -1.203 0.000 1.093 254 D CA 0.106 53.630 54.000 -0.793 0.000 0.850 254 D CB 1.520 42.060 40.800 -0.434 0.000 1.046 254 D HN 0.584 nan 8.370 nan 0.000 0.507 255 S N 2.582 117.761 115.700 -0.868 0.000 2.383 255 S HA -0.187 4.281 4.470 -0.003 0.000 0.229 255 S C 1.874 176.279 174.600 -0.324 0.000 1.030 255 S CA 1.704 59.612 58.200 -0.486 0.000 1.002 255 S CB -0.083 62.968 63.200 -0.248 0.000 0.829 255 S HN 0.476 nan 8.310 nan 0.000 0.467 256 S N 1.055 116.593 115.700 -0.271 0.000 2.365 256 S HA -0.131 4.337 4.470 -0.003 0.000 0.221 256 S C 2.195 176.705 174.600 -0.150 0.000 1.037 256 S CA 1.967 60.069 58.200 -0.164 0.000 1.060 256 S CB -0.604 62.536 63.200 -0.101 0.000 0.974 256 S HN 0.895 nan 8.310 nan 0.000 0.427 257 S N 0.441 116.033 115.700 -0.181 0.000 2.527 257 S HA 0.025 4.493 4.470 -0.003 0.000 0.222 257 S C 0.539 175.048 174.600 -0.152 0.000 0.985 257 S CA 1.110 59.227 58.200 -0.138 0.000 0.921 257 S CB -0.313 62.817 63.200 -0.118 0.000 0.772 257 S HN 0.474 nan 8.310 nan 0.000 0.529 258 D N 1.433 121.675 120.400 -0.263 0.000 2.708 258 D HA -0.167 4.470 4.640 -0.003 0.000 0.236 258 D C -0.118 176.107 176.300 -0.125 0.000 1.146 258 D CA 0.938 54.827 54.000 -0.186 0.000 0.662 258 D CB -1.482 39.331 40.800 0.021 0.000 1.059 258 D HN 0.718 nan 8.370 nan 0.000 0.428 259 S N -1.366 114.148 115.700 -0.310 0.000 2.638 259 S HA 0.792 5.260 4.470 -0.003 0.000 0.302 259 S C -0.486 174.008 174.600 -0.178 0.000 1.096 259 S CA -0.998 57.142 58.200 -0.100 0.000 0.953 259 S CB 1.253 64.438 63.200 -0.024 0.000 1.107 259 S HN 0.249 nan 8.310 nan 0.000 0.503 260 W N 0.806 122.137 121.300 0.052 0.000 2.520 260 W HA 0.736 5.394 4.660 -0.003 0.000 0.323 260 W C -0.645 175.891 176.519 0.028 0.000 1.062 260 W CA -0.608 56.777 57.345 0.067 0.000 1.215 260 W CB 1.316 30.823 29.460 0.078 0.000 1.340 260 W HN 0.561 nan 8.180 nan 0.000 0.516 261 I N 4.144 124.888 120.570 0.290 0.000 2.647 261 I HA 0.375 4.543 4.170 -0.003 0.000 0.295 261 I C -2.394 173.836 176.117 0.189 0.000 1.078 261 I CA -2.628 58.781 61.300 0.181 0.000 1.048 261 I CB 2.240 40.300 38.000 0.099 0.000 1.239 261 I HN 0.043 nan 8.210 nan 0.000 0.421 262 P HA 0.260 nan 4.420 nan 0.000 0.276 262 P C -0.283 177.096 177.300 0.132 0.000 1.235 262 P CA -0.169 63.010 63.100 0.131 0.000 0.772 262 P CB 0.900 32.660 31.700 0.101 0.000 0.871 263 G N 3.415 112.299 108.800 0.140 0.000 2.667 263 G HA2 0.643 4.601 3.960 -0.003 0.000 0.310 263 G HA3 0.643 4.601 3.960 -0.003 0.000 0.310 263 G C -2.701 172.309 174.900 0.183 0.000 1.259 263 G CA -1.734 43.462 45.100 0.159 0.000 1.019 263 G HN 0.293 nan 8.290 nan 0.000 0.496 264 P HA 0.225 nan 4.420 nan 0.000 0.274 264 P C -0.963 176.533 177.300 0.327 0.000 1.237 264 P CA -0.336 62.946 63.100 0.303 0.000 0.793 264 P CB 1.052 32.984 31.700 0.386 0.000 0.977 265 D N 0.879 121.396 120.400 0.194 0.000 2.341 265 D HA 0.224 4.862 4.640 -0.003 0.000 0.245 265 D C 0.735 176.994 176.300 -0.068 0.000 1.106 265 D CA 0.132 54.146 54.000 0.023 0.000 0.905 265 D CB 0.284 41.079 40.800 -0.007 0.000 1.202 265 D HN 0.258 nan 8.370 nan 0.000 0.426 266 M N 1.539 120.876 119.600 -0.437 0.000 2.202 266 M HA 0.010 4.488 4.480 -0.003 0.000 0.316 266 M C 1.407 177.537 176.300 -0.282 0.000 1.138 266 M CA -0.380 54.437 55.300 -0.805 0.000 1.151 266 M CB 0.725 32.788 32.600 -0.895 0.000 1.422 266 M HN 0.221 nan 8.290 nan 0.000 0.471 267 Q N 0.541 120.230 119.800 -0.185 0.000 2.123 267 Q HA 0.075 4.413 4.340 -0.003 0.000 0.199 267 Q C -0.187 175.785 176.000 -0.048 0.000 0.966 267 Q CA 0.907 56.688 55.803 -0.036 0.000 0.845 267 Q CB 0.036 28.799 28.738 0.042 0.000 0.907 267 Q HN 0.527 nan 8.270 nan 0.000 0.439 268 V N 0.396 120.245 119.914 -0.108 0.000 2.604 268 V HA 0.607 4.725 4.120 -0.003 0.000 0.305 268 V C -0.468 175.551 176.094 -0.126 0.000 1.043 268 V CA -1.263 61.007 62.300 -0.050 0.000 0.888 268 V CB 1.606 33.421 31.823 -0.013 0.000 0.995 268 V HN 0.096 nan 8.190 nan 0.000 0.429 269 A N 5.333 128.126 122.820 -0.044 0.000 2.409 269 A HA 0.753 5.071 4.320 -0.003 0.000 0.267 269 A C 0.199 177.694 177.584 -0.148 0.000 1.127 269 A CA -0.088 51.896 52.037 -0.088 0.000 0.795 269 A CB 0.139 19.130 19.000 -0.016 0.000 1.061 269 A HN 0.885 nan 8.150 nan 0.000 0.502 270 R N 0.799 121.198 120.500 -0.169 0.000 2.774 270 R HA 0.691 5.029 4.340 -0.003 0.000 0.272 270 R C -0.390 175.838 176.300 -0.120 0.000 1.000 270 R CA -0.464 55.526 56.100 -0.183 0.000 0.906 270 R CB 2.758 32.927 30.300 -0.218 0.000 1.227 270 R HN 0.933 nan 8.270 nan 0.000 0.468 271 G N 0.402 109.135 108.800 -0.112 0.000 2.731 271 G HA2 0.458 4.416 3.960 -0.003 0.000 0.298 271 G HA3 0.458 4.416 3.960 -0.003 0.000 0.298 271 G C -1.149 173.738 174.900 -0.022 0.000 1.424 271 G CA -0.274 44.804 45.100 -0.036 0.000 1.029 271 G HN 0.588 nan 8.290 nan 0.000 0.518 272 Y N -0.685 119.428 120.300 -0.311 0.000 4.729 272 Y HA -0.218 4.330 4.550 -0.003 0.000 0.239 272 Y C 1.477 177.175 175.900 -0.337 0.000 1.043 272 Y CA 0.444 58.286 58.100 -0.430 0.000 2.045 272 Y CB -2.031 36.033 38.460 -0.659 0.000 1.599 272 Y HN 0.847 nan 8.280 nan 0.000 0.655 273 Q N 0.266 120.011 119.800 -0.092 0.000 2.368 273 Q HA 0.589 4.927 4.340 -0.003 0.000 0.237 273 Q C 0.015 175.980 176.000 -0.057 0.000 0.987 273 Q CA -0.100 55.634 55.803 -0.114 0.000 0.896 273 Q CB 1.925 30.576 28.738 -0.144 0.000 1.241 273 Q HN 0.262 nan 8.270 nan 0.000 0.485 274 S N 0.717 116.386 115.700 -0.052 0.000 2.593 274 S HA 0.591 5.059 4.470 -0.003 0.000 0.297 274 S C -0.758 173.839 174.600 -0.004 0.000 1.112 274 S CA -0.527 57.669 58.200 -0.007 0.000 1.043 274 S CB 1.331 64.532 63.200 0.001 0.000 1.054 274 S HN 0.750 nan 8.310 nan 0.000 0.516 275 S N 0.822 116.545 115.700 0.039 0.000 2.542 275 S HA 0.875 5.342 4.470 -0.003 0.000 0.293 275 S C -0.971 173.704 174.600 0.125 0.000 1.089 275 S CA -0.869 57.390 58.200 0.098 0.000 0.961 275 S CB 1.755 65.035 63.200 0.133 0.000 1.062 275 S HN 0.912 nan 8.310 nan 0.000 0.483 276 A N 2.258 125.198 122.820 0.200 0.000 2.353 276 A HA 0.716 5.034 4.320 -0.003 0.000 0.299 276 A C 0.070 177.789 177.584 0.225 0.000 1.089 276 A CA -0.788 51.362 52.037 0.189 0.000 0.736 276 A CB 0.867 19.981 19.000 0.189 0.000 1.195 276 A HN 0.851 nan 8.150 nan 0.000 0.447 277 T N 3.379 118.048 114.554 0.190 0.000 2.930 277 T HA 0.327 4.675 4.350 -0.003 0.000 0.306 277 T C 0.558 175.380 174.700 0.204 0.000 1.045 277 T CA 0.544 62.759 62.100 0.192 0.000 1.134 277 T CB 0.138 69.108 68.868 0.170 0.000 0.961 277 T HN 0.613 nan 8.240 nan 0.000 0.545 278 M N 1.520 121.234 119.600 0.189 0.000 2.494 278 M HA 0.213 4.690 4.480 -0.003 0.000 0.300 278 M C 1.841 178.234 176.300 0.154 0.000 1.189 278 M CA -0.651 54.754 55.300 0.175 0.000 0.982 278 M CB 1.233 33.930 32.600 0.161 0.000 1.534 278 M HN 0.802 nan 8.290 nan 0.000 0.488 279 S N -0.620 115.161 115.700 0.135 0.000 2.469 279 S HA -0.137 4.331 4.470 -0.003 0.000 0.238 279 S C 0.655 175.300 174.600 0.077 0.000 0.998 279 S CA 1.366 59.626 58.200 0.101 0.000 0.957 279 S CB -0.730 62.505 63.200 0.058 0.000 0.764 279 S HN 0.800 nan 8.310 nan 0.000 0.514 280 D N -0.192 120.251 120.400 0.073 0.000 2.388 280 D HA 0.372 5.010 4.640 -0.003 0.000 0.221 280 D C 1.282 177.609 176.300 0.046 0.000 1.133 280 D CA 0.269 54.297 54.000 0.048 0.000 0.831 280 D CB -0.425 40.397 40.800 0.035 0.000 0.962 280 D HN 0.418 nan 8.370 nan 0.000 0.502 281 G N 0.249 109.092 108.800 0.072 0.000 2.205 281 G HA2 -0.346 3.611 3.960 -0.003 0.000 0.261 281 G HA3 -0.346 3.611 3.960 -0.003 0.000 0.261 281 G C 0.503 175.441 174.900 0.065 0.000 0.980 281 G CA -0.020 45.122 45.100 0.070 0.000 0.632 281 G HN 0.459 nan 8.290 nan 0.000 0.533 282 R N -0.468 120.065 120.500 0.055 0.000 2.637 282 R HA 0.540 4.878 4.340 -0.003 0.000 0.269 282 R C -0.060 176.319 176.300 0.133 0.000 1.089 282 R CA -0.111 56.016 56.100 0.044 0.000 1.177 282 R CB 1.039 31.351 30.300 0.021 0.000 1.091 282 R HN 0.105 nan 8.270 nan 0.000 0.540 283 V N 2.667 122.674 119.914 0.155 0.000 2.448 283 V HA 0.296 4.414 4.120 -0.003 0.000 0.295 283 V C -0.798 175.480 176.094 0.306 0.000 1.025 283 V CA -0.617 61.825 62.300 0.237 0.000 0.859 283 V CB 1.232 33.205 31.823 0.250 0.000 0.988 283 V HN 0.495 nan 8.190 nan 0.000 0.431 284 F N 3.568 123.629 119.950 0.185 0.000 2.450 284 F HA 0.769 5.293 4.527 -0.004 0.000 0.332 284 F C 0.125 176.031 175.800 0.177 0.000 1.093 284 F CA 0.147 58.259 58.000 0.187 0.000 1.003 284 F CB 1.977 41.054 39.000 0.130 0.000 1.151 284 F HN 0.507 nan 8.300 nan 0.000 0.474 285 T N 7.028 121.243 114.554 -0.566 0.000 2.916 285 T HA 0.676 5.024 4.350 -0.003 0.000 0.305 285 T C -1.705 172.530 174.700 -0.776 0.000 1.119 285 T CA -0.517 61.304 62.100 -0.464 0.000 1.008 285 T CB 1.118 69.904 68.868 -0.138 0.000 1.129 285 T HN 0.713 nan 8.240 nan 0.000 0.480 286 I N 1.964 122.233 120.570 -0.501 0.000 3.004 286 I HA 0.633 4.801 4.170 -0.003 0.000 0.305 286 I C 0.478 176.435 176.117 -0.267 0.000 1.312 286 I CA 0.495 61.542 61.300 -0.421 0.000 0.992 286 I CB 1.682 39.398 38.000 -0.474 0.000 1.282 286 I HN 1.010 nan 8.210 nan 0.000 0.449 287 G N 3.497 112.158 108.800 -0.232 0.000 2.552 287 G HA2 0.198 4.156 3.960 -0.003 0.000 0.265 287 G HA3 0.198 4.156 3.960 -0.003 0.000 0.265 287 G C 0.617 175.378 174.900 -0.232 0.000 1.234 287 G CA -0.009 44.965 45.100 -0.209 0.000 0.944 287 G HN 2.373 nan 8.290 nan 0.000 0.568 288 G N -3.011 105.658 108.800 -0.218 0.000 2.526 288 G HA2 0.158 4.116 3.960 -0.003 0.000 0.225 288 G HA3 0.158 4.116 3.960 -0.003 0.000 0.225 288 G C 0.625 175.377 174.900 -0.246 0.000 1.120 288 G CA 0.830 45.804 45.100 -0.209 0.000 0.904 288 G HN 1.811 nan 8.290 nan 0.000 0.498 289 S N -0.322 115.222 115.700 -0.260 0.000 2.720 289 S HA 0.050 4.518 4.470 -0.003 0.000 0.222 289 S C 1.691 176.158 174.600 -0.222 0.000 0.958 289 S CA 0.462 58.507 58.200 -0.258 0.000 0.943 289 S CB -0.231 62.846 63.200 -0.205 0.000 0.779 289 S HN 0.707 nan 8.310 nan 0.000 0.526 290 H N 0.933 119.742 119.070 -0.435 0.000 2.462 290 H HA 0.143 4.697 4.556 -0.003 0.000 0.292 290 H C 0.002 175.189 175.328 -0.235 0.000 1.049 290 H CA 0.830 56.530 56.048 -0.579 0.000 1.334 290 H CB 0.404 29.498 29.762 -1.113 0.000 1.404 290 H HN 0.309 nan 8.280 nan 0.000 0.544 291 S N -2.540 113.064 115.700 -0.159 0.000 2.627 291 S HA 0.452 4.920 4.470 -0.003 0.000 0.283 291 S C 0.630 175.179 174.600 -0.084 0.000 1.127 291 S CA -0.309 57.831 58.200 -0.100 0.000 0.863 291 S CB 1.978 65.159 63.200 -0.032 0.000 1.121 291 S HN 0.464 nan 8.310 nan 0.000 0.479 292 G N -0.095 108.684 108.800 -0.036 0.000 2.196 292 G HA2 0.177 4.135 3.960 -0.003 0.000 0.268 292 G HA3 0.177 4.135 3.960 -0.003 0.000 0.268 292 G C 0.674 175.645 174.900 0.117 0.000 0.975 292 G CA 0.391 45.497 45.100 0.011 0.000 0.648 292 G HN 1.946 nan 8.290 nan 0.000 0.538 293 G N -2.998 105.847 108.800 0.074 0.000 2.334 293 G HA2 0.424 4.382 3.960 -0.003 0.000 0.566 293 G HA3 0.424 4.382 3.960 -0.003 0.000 0.566 293 G C -0.950 173.977 174.900 0.045 0.000 1.413 293 G CA -0.038 45.188 45.100 0.209 0.000 0.993 293 G HN 1.343 nan 8.290 nan 0.000 0.642 294 V N 2.118 122.131 119.914 0.165 0.000 2.293 294 V HA 0.805 4.923 4.120 -0.003 0.000 0.275 294 V C 0.011 176.209 176.094 0.172 0.000 1.021 294 V CA 0.230 62.563 62.300 0.055 0.000 0.815 294 V CB -0.499 31.375 31.823 0.084 0.000 1.025 294 V HN 1.287 nan 8.190 nan 0.000 0.448 295 F N 1.306 121.248 119.950 -0.013 0.000 3.052 295 F HA 0.593 5.118 4.527 -0.003 0.000 0.323 295 F C -0.480 175.310 175.800 -0.017 0.000 1.178 295 F CA -1.516 56.476 58.000 -0.014 0.000 0.892 295 F CB 1.199 40.188 39.000 -0.017 0.000 1.416 295 F HN 0.144 nan 8.300 nan 0.000 0.488 296 E N 1.521 121.870 120.200 0.248 0.000 2.070 296 E HA 0.218 4.565 4.350 -0.003 0.000 0.282 296 E C -1.147 175.496 176.600 0.071 0.000 1.104 296 E CA -0.441 56.012 56.400 0.088 0.000 0.876 296 E CB 0.717 30.472 29.700 0.091 0.000 1.055 296 E HN 0.362 nan 8.360 nan 0.000 0.401 297 K N 3.588 123.902 120.400 -0.143 0.000 2.257 297 K HA 0.222 4.540 4.320 -0.003 0.000 0.270 297 K C -0.437 176.105 176.600 -0.098 0.000 1.098 297 K CA -0.302 55.882 56.287 -0.172 0.000 0.943 297 K CB 0.566 32.840 32.500 -0.375 0.000 1.316 297 K HN 0.386 nan 8.250 nan 0.000 0.447 298 N N 0.414 119.101 118.700 -0.022 0.000 2.364 298 N HA 0.158 4.896 4.740 -0.003 0.000 0.264 298 N C 0.567 176.034 175.510 -0.071 0.000 1.263 298 N CA -0.550 52.499 53.050 -0.001 0.000 0.959 298 N CB 0.416 38.948 38.487 0.075 0.000 1.204 298 N HN 0.501 nan 8.380 nan 0.000 0.550 299 G N -0.739 108.037 108.800 -0.039 0.000 2.614 299 G HA2 0.291 4.249 3.960 -0.003 0.000 0.239 299 G HA3 0.291 4.249 3.960 -0.003 0.000 0.239 299 G C -0.599 174.241 174.900 -0.101 0.000 1.240 299 G CA -0.088 44.895 45.100 -0.195 0.000 0.842 299 G HN 0.724 nan 8.290 nan 0.000 0.584 300 E N -1.737 118.346 120.200 -0.196 0.000 2.392 300 E HA 0.547 4.895 4.350 -0.003 0.000 0.279 300 E C -2.053 174.695 176.600 0.246 0.000 0.964 300 E CA -1.037 55.425 56.400 0.103 0.000 0.777 300 E CB 2.289 32.069 29.700 0.133 0.000 1.249 300 E HN 0.578 nan 8.360 nan 0.000 0.449 301 V N 2.895 123.033 119.914 0.374 0.000 2.709 301 V HA 0.485 4.603 4.120 -0.003 0.000 0.308 301 V C -1.907 174.190 176.094 0.006 0.000 1.062 301 V CA -0.612 61.851 62.300 0.271 0.000 0.901 301 V CB 1.715 33.701 31.823 0.272 0.000 1.003 301 V HN 0.756 nan 8.190 nan 0.000 0.425 302 Y N 4.855 124.807 120.300 -0.579 0.000 2.330 302 Y HA 0.677 5.224 4.550 -0.004 0.000 0.336 302 Y C 0.217 175.860 175.900 -0.430 0.000 1.036 302 Y CA -0.092 57.416 58.100 -0.988 0.000 1.125 302 Y CB 1.900 39.306 38.460 -1.758 0.000 1.194 302 Y HN 0.668 nan 8.280 nan 0.000 0.469 303 S N 8.222 123.365 115.700 -0.929 0.000 2.448 303 S HA 0.395 4.863 4.470 -0.003 0.000 0.320 303 S C -2.109 171.890 174.600 -1.002 0.000 1.071 303 S CA -1.733 56.054 58.200 -0.688 0.000 1.113 303 S CB 1.120 64.105 63.200 -0.359 0.000 0.972 303 S HN 0.625 nan 8.310 nan 0.000 0.465 304 P HA -0.147 nan 4.420 nan 0.000 0.216 304 P C 1.605 178.733 177.300 -0.286 0.000 1.153 304 P CA 1.470 64.285 63.100 -0.474 0.000 0.858 304 P CB -0.075 31.545 31.700 -0.132 0.000 0.789 305 S N -0.153 115.412 115.700 -0.224 0.000 2.348 305 S HA -0.150 4.318 4.470 -0.003 0.000 0.221 305 S C 2.089 176.613 174.600 -0.126 0.000 1.033 305 S CA 1.796 59.915 58.200 -0.135 0.000 1.010 305 S CB -1.644 61.497 63.200 -0.099 0.000 0.891 305 S HN 0.304 nan 8.310 nan 0.000 0.442 306 S N 0.520 116.120 115.700 -0.166 0.000 2.528 306 S HA 0.206 4.674 4.470 -0.003 0.000 0.219 306 S C 0.416 174.951 174.600 -0.108 0.000 0.985 306 S CA -0.112 58.020 58.200 -0.114 0.000 0.914 306 S CB -0.443 62.697 63.200 -0.099 0.000 0.776 306 S HN 0.268 nan 8.310 nan 0.000 0.526 307 K N 2.154 122.435 120.400 -0.198 0.000 3.150 307 K HA -0.117 4.201 4.320 -0.003 0.000 0.267 307 K C -0.059 176.532 176.600 -0.016 0.000 1.028 307 K CA 1.269 57.486 56.287 -0.117 0.000 0.753 307 K CB -2.830 29.689 32.500 0.032 0.000 1.288 307 K HN 0.884 nan 8.250 nan 0.000 0.473 308 T N -3.691 110.777 114.554 -0.143 0.000 2.916 308 T HA 0.677 5.025 4.350 -0.003 0.000 0.292 308 T C -0.362 174.316 174.700 -0.037 0.000 1.055 308 T CA -0.893 61.208 62.100 0.001 0.000 1.009 308 T CB 1.683 70.552 68.868 0.001 0.000 1.118 308 T HN 0.271 nan 8.240 nan 0.000 0.497 309 W N 0.970 122.372 121.300 0.169 0.000 2.520 309 W HA 0.586 5.243 4.660 -0.004 0.000 0.323 309 W C -0.223 176.356 176.519 0.101 0.000 1.062 309 W CA -0.313 57.135 57.345 0.170 0.000 1.215 309 W CB 2.232 31.772 29.460 0.133 0.000 1.340 309 W HN 0.721 nan 8.180 nan 0.000 0.516 310 T N 2.039 116.789 114.554 0.328 0.000 2.861 310 T HA 0.257 4.605 4.350 -0.003 0.000 0.287 310 T C -0.526 174.313 174.700 0.231 0.000 1.003 310 T CA -0.721 61.507 62.100 0.213 0.000 0.977 310 T CB 1.705 70.652 68.868 0.132 0.000 0.996 310 T HN 0.236 nan 8.240 nan 0.000 0.448 311 S N 2.180 117.985 115.700 0.175 0.000 2.548 311 S HA 0.488 4.956 4.470 -0.003 0.000 0.277 311 S C -0.256 174.431 174.600 0.145 0.000 1.315 311 S CA -0.658 57.628 58.200 0.143 0.000 1.050 311 S CB -0.155 63.110 63.200 0.108 0.000 0.918 311 S HN 0.546 nan 8.310 nan 0.000 0.497 312 L N 7.655 128.970 121.223 0.152 0.000 2.502 312 L HA 0.348 4.686 4.340 -0.003 0.000 0.247 312 L C -1.520 175.449 176.870 0.166 0.000 1.180 312 L CA -1.567 53.383 54.840 0.183 0.000 0.956 312 L CB 1.483 43.702 42.059 0.266 0.000 1.282 312 L HN 0.562 nan 8.230 nan 0.000 0.470 313 P HA -0.123 nan 4.420 nan 0.000 0.222 313 P C 0.500 177.884 177.300 0.140 0.000 1.147 313 P CA 1.134 64.306 63.100 0.121 0.000 0.790 313 P CB 0.331 32.089 31.700 0.096 0.000 0.780 314 N N 0.018 118.814 118.700 0.160 0.000 2.336 314 N HA 0.073 4.811 4.740 -0.003 0.000 0.189 314 N C 0.726 176.377 175.510 0.235 0.000 1.113 314 N CA 0.158 53.308 53.050 0.166 0.000 0.858 314 N CB -0.010 38.559 38.487 0.136 0.000 0.970 314 N HN 0.096 nan 8.380 nan 0.000 0.471 315 A N 1.528 124.524 122.820 0.293 0.000 3.004 315 A HA 0.149 4.467 4.320 -0.003 0.000 0.286 315 A C 0.072 177.903 177.584 0.412 0.000 1.632 315 A CA -0.344 51.974 52.037 0.469 0.000 1.339 315 A CB -0.133 19.207 19.000 0.568 0.000 1.136 315 A HN -0.189 nan 8.150 nan 0.000 0.577 316 K N 0.938 121.556 120.400 0.364 0.000 2.416 316 K HA 0.049 4.367 4.320 -0.003 0.000 0.283 316 K C 1.148 177.931 176.600 0.304 0.000 1.037 316 K CA -0.228 56.216 56.287 0.262 0.000 0.995 316 K CB 1.164 33.776 32.500 0.186 0.000 0.938 316 K HN 0.277 nan 8.250 nan 0.000 0.475 317 V N 3.677 123.691 119.914 0.166 0.000 2.667 317 V HA -0.193 3.925 4.120 -0.003 0.000 0.252 317 V C 2.042 178.199 176.094 0.105 0.000 1.065 317 V CA 1.451 63.819 62.300 0.112 0.000 1.083 317 V CB -0.345 31.480 31.823 0.003 0.000 0.692 317 V HN 0.765 nan 8.190 nan 0.000 0.468 318 N N 1.089 119.845 118.700 0.092 0.000 2.060 318 N HA -0.156 4.582 4.740 -0.003 0.000 0.195 318 N C -0.477 175.061 175.510 0.047 0.000 1.028 318 N CA 2.509 55.594 53.050 0.059 0.000 0.861 318 N CB -1.211 37.310 38.487 0.057 0.000 1.029 318 N HN 0.393 nan 8.380 nan 0.000 0.428 319 P HA -0.066 nan 4.420 nan 0.000 0.225 319 P C 1.294 178.592 177.300 -0.003 0.000 1.148 319 P CA 1.076 64.186 63.100 0.016 0.000 0.779 319 P CB -0.211 31.486 31.700 -0.005 0.000 0.780 320 M N -3.483 116.135 119.600 0.030 0.000 2.371 320 M HA 0.195 4.673 4.480 -0.003 0.000 0.246 320 M C -0.054 176.212 176.300 -0.057 0.000 1.103 320 M CA 0.290 55.581 55.300 -0.016 0.000 1.010 320 M CB -0.315 32.317 32.600 0.053 0.000 1.457 320 M HN -0.282 nan 8.290 nan 0.000 0.486 321 L N 2.853 124.055 121.223 -0.036 0.000 2.416 321 L HA 0.235 4.573 4.340 -0.003 0.000 0.272 321 L C 1.086 177.919 176.870 -0.061 0.000 1.161 321 L CA -0.375 54.437 54.840 -0.047 0.000 0.845 321 L CB 0.665 42.711 42.059 -0.023 0.000 1.119 321 L HN 0.398 nan 8.230 nan 0.000 0.464 322 T N -0.119 114.395 114.554 -0.067 0.000 2.732 322 T HA 0.381 4.729 4.350 -0.003 0.000 0.287 322 T C 0.656 175.337 174.700 -0.031 0.000 0.993 322 T CA -0.219 61.843 62.100 -0.065 0.000 0.966 322 T CB 1.164 69.992 68.868 -0.066 0.000 1.047 322 T HN 0.655 nan 8.240 nan 0.000 0.527 323 A N 0.373 123.178 122.820 -0.024 0.000 2.797 323 A HA 0.254 4.572 4.320 -0.003 0.000 0.287 323 A C 0.572 178.162 177.584 0.009 0.000 1.369 323 A CA -0.528 51.505 52.037 -0.007 0.000 0.968 323 A CB -0.919 18.076 19.000 -0.008 0.000 1.069 323 A HN 0.887 nan 8.150 nan 0.000 0.571 324 D N 0.700 121.113 120.400 0.021 0.000 2.525 324 D HA -0.027 4.611 4.640 -0.003 0.000 0.235 324 D C 0.883 177.211 176.300 0.047 0.000 1.137 324 D CA 0.552 54.581 54.000 0.048 0.000 0.868 324 D CB 0.724 41.569 40.800 0.076 0.000 1.180 324 D HN 0.330 nan 8.370 nan 0.000 0.465 325 K N 1.850 122.281 120.400 0.051 0.000 2.209 325 K HA -0.169 4.149 4.320 -0.003 0.000 0.204 325 K C 1.545 178.175 176.600 0.050 0.000 1.048 325 K CA 1.077 57.390 56.287 0.043 0.000 0.940 325 K CB 0.130 32.654 32.500 0.040 0.000 0.729 325 K HN 0.521 nan 8.250 nan 0.000 0.451 326 Q N -0.032 119.812 119.800 0.074 0.000 2.365 326 Q HA 0.131 4.469 4.340 -0.003 0.000 0.203 326 Q C 0.761 176.813 176.000 0.087 0.000 0.929 326 Q CA 0.167 56.020 55.803 0.084 0.000 0.948 326 Q CB 0.525 29.342 28.738 0.131 0.000 1.043 326 Q HN 0.329 nan 8.270 nan 0.000 0.505 327 G N 1.456 110.295 108.800 0.065 0.000 2.598 327 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.244 327 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.244 327 G C 0.292 175.229 174.900 0.061 0.000 1.302 327 G CA -0.156 44.976 45.100 0.053 0.000 0.903 327 G HN 0.226 nan 8.290 nan 0.000 0.575 328 L N -0.595 120.657 121.223 0.048 0.000 2.137 328 L HA -0.101 4.237 4.340 -0.003 0.000 0.213 328 L C 2.518 179.404 176.870 0.027 0.000 1.085 328 L CA 3.146 58.001 54.840 0.026 0.000 0.760 328 L CB -1.018 41.053 42.059 0.020 0.000 0.893 328 L HN 0.757 nan 8.230 nan 0.000 0.434 329 Y N -0.250 120.010 120.300 -0.065 0.000 2.241 329 Y HA -0.260 4.288 4.550 -0.003 0.000 0.286 329 Y C 2.196 178.040 175.900 -0.093 0.000 1.166 329 Y CA 1.754 59.796 58.100 -0.096 0.000 1.203 329 Y CB -0.001 38.402 38.460 -0.095 0.000 0.977 329 Y HN 0.151 nan 8.280 nan 0.000 0.529 330 R N -1.240 119.201 120.500 -0.099 0.000 2.257 330 R HA 0.086 4.424 4.340 -0.003 0.000 0.195 330 R C 2.513 178.802 176.300 -0.018 0.000 0.921 330 R CA 0.946 56.980 56.100 -0.110 0.000 1.069 330 R CB -1.137 29.195 30.300 0.053 0.000 1.115 330 R HN 0.391 nan 8.270 nan 0.000 0.571 331 S N 2.166 117.859 115.700 -0.011 0.000 2.440 331 S HA -0.169 4.299 4.470 -0.003 0.000 0.240 331 S C 1.103 175.668 174.600 -0.059 0.000 1.014 331 S CA 1.857 60.045 58.200 -0.021 0.000 0.980 331 S CB -0.215 62.979 63.200 -0.011 0.000 0.775 331 S HN 0.365 nan 8.310 nan 0.000 0.499 332 D N -0.024 120.323 120.400 -0.089 0.000 2.440 332 D HA 0.174 4.812 4.640 -0.003 0.000 0.216 332 D C -0.070 176.144 176.300 -0.145 0.000 1.150 332 D CA -0.504 53.427 54.000 -0.115 0.000 0.832 332 D CB -0.977 39.749 40.800 -0.123 0.000 0.992 332 D HN 0.530 nan 8.370 nan 0.000 0.502 333 N N 0.402 119.012 118.700 -0.150 0.000 2.476 333 N HA 0.086 4.824 4.740 -0.003 0.000 0.275 333 N C -0.394 175.033 175.510 -0.139 0.000 1.190 333 N CA -0.725 52.169 53.050 -0.259 0.000 0.977 333 N CB 0.384 38.663 38.487 -0.347 0.000 1.200 333 N HN 0.072 nan 8.380 nan 0.000 0.515 334 H N -1.137 117.932 119.070 -0.000 0.000 2.445 334 H HA -0.191 4.364 4.556 -0.003 0.000 0.322 334 H C -0.059 175.270 175.328 0.002 0.000 1.053 334 H CA 0.229 56.274 56.048 -0.004 0.000 1.109 334 H CB -1.887 27.891 29.762 0.027 0.000 1.546 334 H HN 0.599 nan 8.280 nan 0.000 0.397 335 A N 0.322 123.153 122.820 0.018 0.000 2.531 335 A HA 0.098 4.416 4.320 -0.003 0.000 0.236 335 A C 0.363 177.986 177.584 0.066 0.000 1.062 335 A CA -0.101 51.898 52.037 -0.063 0.000 0.760 335 A CB 0.229 19.179 19.000 -0.083 0.000 0.995 335 A HN 0.415 nan 8.150 nan 0.000 0.501 336 W N 3.456 124.679 121.300 -0.129 0.000 2.247 336 W HA 0.431 5.090 4.660 -0.002 0.000 0.394 336 W C -0.547 175.794 176.519 -0.297 0.000 0.939 336 W CA -0.610 56.616 57.345 -0.198 0.000 1.548 336 W CB -0.851 28.576 29.460 -0.055 0.000 1.610 336 W HN 0.348 nan 8.180 nan 0.000 0.336 337 L N 3.340 124.429 121.223 -0.223 0.000 2.322 337 L HA 0.618 4.956 4.340 -0.003 0.000 0.279 337 L C -0.618 175.920 176.870 -0.555 0.000 1.036 337 L CA -0.763 53.958 54.840 -0.200 0.000 0.807 337 L CB 0.812 42.855 42.059 -0.026 0.000 1.226 337 L HN -0.046 nan 8.230 nan 0.000 0.433 338 F N -0.023 120.020 119.950 0.155 0.000 2.562 338 F HA 0.469 4.994 4.527 -0.004 0.000 0.319 338 F C 0.727 176.674 175.800 0.246 0.000 1.154 338 F CA -0.755 57.356 58.000 0.185 0.000 0.931 338 F CB 1.740 40.834 39.000 0.157 0.000 1.198 338 F HN 0.435 nan 8.300 nan 0.000 0.444 339 G N 2.360 111.401 108.800 0.401 0.000 2.406 339 G HA2 0.221 4.179 3.960 -0.003 0.000 0.251 339 G HA3 0.221 4.179 3.960 -0.003 0.000 0.251 339 G C -0.969 174.271 174.900 0.568 0.000 1.271 339 G CA -0.212 45.116 45.100 0.380 0.000 0.859 339 G HN 0.759 nan 8.290 nan 0.000 0.540 340 W N 1.342 122.785 121.300 0.238 0.000 3.698 340 W HA 0.446 5.103 4.660 -0.005 0.000 0.348 340 W C -0.188 176.430 176.519 0.164 0.000 1.157 340 W CA -0.950 56.535 57.345 0.233 0.000 0.951 340 W CB 1.158 30.822 29.460 0.339 0.000 1.671 340 W HN 0.324 nan 8.180 nan 0.000 0.615 341 K N 1.952 122.212 120.400 -0.233 0.000 2.414 341 K HA -0.049 4.269 4.320 -0.003 0.000 0.272 341 K C 0.015 176.603 176.600 -0.020 0.000 0.993 341 K CA 0.762 56.876 56.287 -0.288 0.000 0.964 341 K CB 0.234 32.443 32.500 -0.486 0.000 0.925 341 K HN 0.331 nan 8.250 nan 0.000 0.487 342 K N 0.794 121.181 120.400 -0.022 0.000 3.077 342 K HA -0.268 4.050 4.320 -0.003 0.000 0.264 342 K C 0.474 177.129 176.600 0.091 0.000 1.008 342 K CA 0.533 56.839 56.287 0.032 0.000 0.740 342 K CB -1.708 30.807 32.500 0.024 0.000 1.273 342 K HN 1.119 nan 8.250 nan 0.000 0.477 343 G N -0.756 108.102 108.800 0.098 0.000 2.155 343 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.257 343 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.257 343 G C 0.046 175.021 174.900 0.125 0.000 0.983 343 G CA 0.641 45.809 45.100 0.114 0.000 0.676 343 G HN 0.990 nan 8.290 nan 0.000 0.528 344 S N -1.231 114.564 115.700 0.158 0.000 2.617 344 S HA 0.744 5.212 4.470 -0.003 0.000 0.269 344 S C -0.086 174.637 174.600 0.204 0.000 1.292 344 S CA -0.021 58.272 58.200 0.155 0.000 1.010 344 S CB 2.515 65.838 63.200 0.205 0.000 0.944 344 S HN 1.129 nan 8.310 nan 0.000 0.536 345 V N 2.753 122.758 119.914 0.151 0.000 2.569 345 V HA 0.468 4.586 4.120 -0.003 0.000 0.301 345 V C -0.991 175.251 176.094 0.246 0.000 1.044 345 V CA -0.722 61.663 62.300 0.140 0.000 0.874 345 V CB 1.382 33.079 31.823 -0.209 0.000 1.002 345 V HN 0.907 nan 8.190 nan 0.000 0.424 346 F N 4.253 124.265 119.950 0.103 0.000 2.399 346 F HA 0.558 5.082 4.527 -0.004 0.000 0.334 346 F C 0.131 175.916 175.800 -0.025 0.000 1.097 346 F CA -0.067 57.801 58.000 -0.220 0.000 1.076 346 F CB 1.429 40.119 39.000 -0.516 0.000 1.162 346 F HN 0.515 nan 8.300 nan 0.000 0.495 347 Q N 5.627 124.842 119.800 -0.975 0.000 2.381 347 Q HA 0.458 4.796 4.340 -0.003 0.000 0.263 347 Q C -0.675 174.755 176.000 -0.949 0.000 1.030 347 Q CA -0.307 55.156 55.803 -0.567 0.000 0.772 347 Q CB 1.652 30.292 28.738 -0.163 0.000 1.232 347 Q HN 0.954 nan 8.270 nan 0.000 0.476 348 A N 2.792 125.312 122.820 -0.499 0.000 2.218 348 A HA 0.515 4.833 4.320 -0.003 0.000 0.209 348 A C 0.791 178.305 177.584 -0.117 0.000 1.168 348 A CA 0.973 52.928 52.037 -0.137 0.000 0.804 348 A CB 0.182 19.500 19.000 0.530 0.000 0.834 348 A HN 0.901 nan 8.150 nan 0.000 0.482 349 G N -1.567 106.968 108.800 -0.442 0.000 2.356 349 G HA2 0.215 4.173 3.960 -0.003 0.000 0.266 349 G HA3 0.215 4.173 3.960 -0.003 0.000 0.266 349 G C -2.643 171.516 174.900 -1.235 0.000 1.312 349 G CA 0.060 44.571 45.100 -0.982 0.000 0.922 349 G HN -0.183 nan 8.290 nan 0.000 0.480 350 P HA 0.048 nan 4.420 nan 0.000 0.228 350 P C 1.250 178.122 177.300 -0.713 0.000 1.151 350 P CA 1.335 63.593 63.100 -1.404 0.000 0.770 350 P CB -0.335 30.982 31.700 -0.638 0.000 0.786 351 S N -1.391 114.008 115.700 -0.502 0.000 2.580 351 S HA 0.061 4.529 4.470 -0.003 0.000 0.266 351 S C 1.470 175.903 174.600 -0.278 0.000 1.354 351 S CA -0.081 57.942 58.200 -0.295 0.000 1.008 351 S CB -0.231 62.844 63.200 -0.208 0.000 0.898 351 S HN -0.009 nan 8.310 nan 0.000 0.555 352 T N 1.441 115.888 114.554 -0.178 0.000 2.708 352 T HA 0.022 4.370 4.350 -0.003 0.000 0.266 352 T C 1.017 175.635 174.700 -0.135 0.000 1.037 352 T CA 1.399 63.418 62.100 -0.134 0.000 1.146 352 T CB -0.678 68.142 68.868 -0.080 0.000 0.865 352 T HN 0.936 nan 8.240 nan 0.000 0.435 353 A N 2.151 124.895 122.820 -0.127 0.000 2.491 353 A HA 0.500 4.818 4.320 -0.003 0.000 0.261 353 A C 0.154 177.632 177.584 -0.176 0.000 1.101 353 A CA 0.004 51.970 52.037 -0.118 0.000 0.772 353 A CB -0.293 18.655 19.000 -0.086 0.000 1.043 353 A HN 0.448 nan 8.150 nan 0.000 0.501 354 M N 3.075 122.564 119.600 -0.185 0.000 2.409 354 M HA 0.399 4.877 4.480 -0.003 0.000 0.329 354 M C -0.130 175.964 176.300 -0.344 0.000 1.180 354 M CA -0.312 54.794 55.300 -0.324 0.000 1.053 354 M CB 1.281 33.724 32.600 -0.263 0.000 1.586 354 M HN 0.717 nan 8.290 nan 0.000 0.461 355 N N 0.510 118.886 118.700 -0.540 0.000 2.525 355 N HA 0.435 5.173 4.740 -0.003 0.000 0.270 355 N C -2.108 173.065 175.510 -0.563 0.000 1.321 355 N CA -0.543 52.246 53.050 -0.435 0.000 0.797 355 N CB 1.891 40.134 38.487 -0.408 0.000 1.529 355 N HN 0.613 nan 8.380 nan 0.000 0.491 356 W N 0.963 122.089 121.300 -0.289 0.000 2.376 356 W HA 0.434 5.092 4.660 -0.004 0.000 0.312 356 W C -0.672 175.479 176.519 -0.613 0.000 1.060 356 W CA -0.522 56.633 57.345 -0.317 0.000 1.221 356 W CB 0.737 30.061 29.460 -0.227 0.000 1.281 356 W HN 0.354 nan 8.180 nan 0.000 0.456 357 Y N 2.757 122.964 120.300 -0.155 0.000 2.352 357 Y HA 0.380 4.928 4.550 -0.003 0.000 0.339 357 Y C -0.444 175.224 175.900 -0.388 0.000 0.992 357 Y CA -1.007 56.965 58.100 -0.215 0.000 1.100 357 Y CB 1.004 39.295 38.460 -0.281 0.000 1.192 357 Y HN 0.256 nan 8.280 nan 0.000 0.458 358 Y N 0.160 120.561 120.300 0.168 0.000 2.420 358 Y HA 0.320 4.868 4.550 -0.003 0.000 0.334 358 Y C 1.070 177.042 175.900 0.119 0.000 1.094 358 Y CA -0.937 57.234 58.100 0.119 0.000 1.126 358 Y CB 1.943 40.463 38.460 0.101 0.000 1.217 358 Y HN 0.629 nan 8.280 nan 0.000 0.462 359 T N -3.266 111.438 114.554 0.251 0.000 3.085 359 T HA 0.159 4.507 4.350 -0.003 0.000 0.264 359 T C 0.199 175.017 174.700 0.197 0.000 1.019 359 T CA -0.167 62.068 62.100 0.224 0.000 0.910 359 T CB -0.465 68.510 68.868 0.179 0.000 1.059 359 T HN 0.480 nan 8.240 nan 0.000 0.542 360 S N 0.565 116.376 115.700 0.185 0.000 2.584 360 S HA 0.649 5.117 4.470 -0.003 0.000 0.273 360 S C 1.148 175.818 174.600 0.116 0.000 1.311 360 S CA 0.018 58.293 58.200 0.124 0.000 1.034 360 S CB 0.490 63.744 63.200 0.090 0.000 0.939 360 S HN 1.377 nan 8.310 nan 0.000 0.513 361 G N 2.017 110.871 108.800 0.089 0.000 2.552 361 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.265 361 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.265 361 G C 0.394 175.359 174.900 0.108 0.000 1.234 361 G CA -0.022 45.128 45.100 0.083 0.000 0.944 361 G HN 1.395 nan 8.290 nan 0.000 0.568 362 S N 1.993 117.757 115.700 0.107 0.000 2.685 362 S HA 0.502 4.970 4.470 -0.003 0.000 0.240 362 S C 1.112 175.809 174.600 0.162 0.000 0.967 362 S CA 1.425 59.699 58.200 0.123 0.000 1.009 362 S CB -0.637 62.623 63.200 0.100 0.000 0.776 362 S HN 2.389 nan 8.310 nan 0.000 0.467 363 G N 1.386 110.300 108.800 0.190 0.000 2.860 363 G HA2 -0.058 3.900 3.960 -0.003 0.000 0.553 363 G HA3 -0.058 3.900 3.960 -0.003 0.000 0.553 363 G C -1.033 174.014 174.900 0.245 0.000 1.439 363 G CA -0.339 44.914 45.100 0.255 0.000 0.879 363 G HN 0.419 nan 8.290 nan 0.000 0.545 364 D N -2.425 118.170 120.400 0.325 0.000 2.692 364 D HA 0.694 5.332 4.640 -0.003 0.000 0.290 364 D C -1.144 175.346 176.300 0.316 0.000 1.281 364 D CA 0.571 54.750 54.000 0.298 0.000 0.804 364 D CB 1.995 42.935 40.800 0.234 0.000 1.331 364 D HN 1.330 nan 8.370 nan 0.000 0.432 365 V N 0.710 120.733 119.914 0.181 0.000 2.971 365 V HA 0.708 4.826 4.120 -0.003 0.000 0.309 365 V C -1.852 174.268 176.094 0.044 0.000 1.130 365 V CA -0.478 61.752 62.300 -0.118 0.000 0.964 365 V CB 1.996 33.628 31.823 -0.319 0.000 1.029 365 V HN 0.513 nan 8.190 nan 0.000 0.427 366 K N 3.347 123.773 120.400 0.043 0.000 2.513 366 K HA 0.463 4.781 4.320 -0.003 0.000 0.251 366 K C -0.579 176.096 176.600 0.125 0.000 0.939 366 K CA -0.266 56.124 56.287 0.172 0.000 0.793 366 K CB 2.062 34.804 32.500 0.404 0.000 1.241 366 K HN 0.895 nan 8.250 nan 0.000 0.431 367 S N 1.912 117.665 115.700 0.088 0.000 2.568 367 S HA 0.262 4.730 4.470 -0.003 0.000 0.282 367 S C 0.597 175.290 174.600 0.155 0.000 1.338 367 S CA 0.460 58.695 58.200 0.059 0.000 1.045 367 S CB 0.798 64.020 63.200 0.036 0.000 0.873 367 S HN 0.603 nan 8.310 nan 0.000 0.516 368 A N 3.348 126.221 122.820 0.090 0.000 2.538 368 A HA 0.646 4.964 4.320 -0.003 0.000 0.269 368 A C 1.185 178.831 177.584 0.103 0.000 1.231 368 A CA 0.382 52.515 52.037 0.160 0.000 0.948 368 A CB -1.048 17.978 19.000 0.044 0.000 1.110 368 A HN 2.075 nan 8.150 nan 0.000 0.529 369 G N 0.296 109.131 108.800 0.058 0.000 2.542 369 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.235 369 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.235 369 G C -0.386 174.512 174.900 -0.004 0.000 1.286 369 G CA -0.125 44.996 45.100 0.034 0.000 0.904 369 G HN 0.518 nan 8.290 nan 0.000 0.577 370 K N 0.269 120.666 120.400 -0.005 0.000 2.182 370 K HA 0.482 4.800 4.320 -0.003 0.000 0.262 370 K C 0.448 177.026 176.600 -0.037 0.000 0.957 370 K CA -0.797 55.473 56.287 -0.028 0.000 0.842 370 K CB 1.981 34.472 32.500 -0.014 0.000 1.099 370 K HN 0.585 nan 8.250 nan 0.000 0.438 371 R N 3.402 123.849 120.500 -0.088 0.000 2.404 371 R HA -0.033 4.305 4.340 -0.003 0.000 0.315 371 R C -0.297 175.908 176.300 -0.158 0.000 1.032 371 R CA 0.694 56.689 56.100 -0.174 0.000 0.992 371 R CB 0.264 30.419 30.300 -0.241 0.000 0.959 371 R HN 0.738 nan 8.270 nan 0.000 0.428 372 Q N 1.662 121.418 119.800 -0.073 0.000 2.814 372 Q HA 0.546 4.884 4.340 -0.003 0.000 0.322 372 Q C -1.459 174.689 176.000 0.247 0.000 0.861 372 Q CA -1.049 54.813 55.803 0.097 0.000 0.773 372 Q CB 1.634 30.419 28.738 0.077 0.000 1.423 372 Q HN 0.622 nan 8.270 nan 0.000 0.495 373 S N -0.854 114.994 115.700 0.247 0.000 2.761 373 S HA 0.266 4.734 4.470 -0.003 0.000 0.290 373 S C -0.229 174.453 174.600 0.137 0.000 1.222 373 S CA 0.014 58.359 58.200 0.243 0.000 0.954 373 S CB -0.110 63.313 63.200 0.371 0.000 1.281 373 S HN 0.838 nan 8.310 nan 0.000 0.527 374 N N 1.193 119.951 118.700 0.097 0.000 2.331 374 N HA -0.054 4.684 4.740 -0.003 0.000 0.180 374 N C 1.135 176.644 175.510 -0.002 0.000 1.019 374 N CA 0.947 54.020 53.050 0.038 0.000 0.881 374 N CB -0.690 37.810 38.487 0.022 0.000 0.972 374 N HN 0.649 nan 8.380 nan 0.000 0.435 375 R N -0.183 120.302 120.500 -0.025 0.000 2.310 375 R HA 0.369 4.707 4.340 -0.003 0.000 0.202 375 R C 0.567 176.859 176.300 -0.013 0.000 0.933 375 R CA 0.349 56.392 56.100 -0.094 0.000 1.054 375 R CB -0.149 29.968 30.300 -0.304 0.000 0.985 375 R HN 0.309 nan 8.270 nan 0.000 0.489 376 G N 0.347 109.176 108.800 0.048 0.000 2.434 376 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.671 376 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.671 376 G C -0.772 174.196 174.900 0.112 0.000 1.280 376 G CA -0.854 44.284 45.100 0.064 0.000 0.975 376 G HN -0.032 nan 8.290 nan 0.000 0.510 377 V N 1.136 121.096 119.914 0.077 0.000 2.614 377 V HA 0.506 4.624 4.120 -0.003 0.000 0.291 377 V C 1.351 177.497 176.094 0.087 0.000 1.049 377 V CA 0.480 62.819 62.300 0.065 0.000 1.038 377 V CB 1.009 32.851 31.823 0.032 0.000 0.980 377 V HN 1.924 nan 8.190 nan 0.000 0.481 378 A N 8.564 131.429 122.820 0.074 0.000 2.366 378 A HA 0.656 4.974 4.320 -0.003 0.000 0.272 378 A C -2.066 175.537 177.584 0.032 0.000 1.135 378 A CA -1.273 50.821 52.037 0.095 0.000 0.804 378 A CB 0.070 19.064 19.000 -0.010 0.000 1.064 378 A HN 0.671 nan 8.150 nan 0.000 0.499 379 P HA 0.163 nan 4.420 nan 0.000 0.276 379 P C -0.735 176.559 177.300 -0.010 0.000 1.261 379 P CA -0.541 62.568 63.100 0.015 0.000 0.800 379 P CB 0.424 32.140 31.700 0.028 0.000 1.066 380 D N -0.117 120.260 120.400 -0.038 0.000 2.525 380 D HA 0.173 4.811 4.640 -0.003 0.000 0.235 380 D C 0.272 176.547 176.300 -0.042 0.000 1.137 380 D CA 0.787 54.741 54.000 -0.076 0.000 0.868 380 D CB 0.057 40.815 40.800 -0.070 0.000 1.180 380 D HN 0.324 nan 8.370 nan 0.000 0.465 381 A N 3.135 125.914 122.820 -0.068 0.000 3.214 381 A HA 0.222 4.540 4.320 -0.003 0.000 0.304 381 A C 0.198 177.826 177.584 0.073 0.000 0.969 381 A CA -0.681 51.390 52.037 0.056 0.000 0.986 381 A CB -0.065 19.076 19.000 0.236 0.000 1.073 381 A HN 0.467 nan 8.150 nan 0.000 0.487 382 M N 0.508 120.099 119.600 -0.015 0.000 2.290 382 M HA 0.188 4.666 4.480 -0.003 0.000 0.356 382 M C 0.692 176.988 176.300 -0.007 0.000 1.448 382 M CA 1.195 56.488 55.300 -0.012 0.000 0.993 382 M CB -0.933 31.658 32.600 -0.015 0.000 1.934 382 M HN 0.851 nan 8.290 nan 0.000 0.461 383 C N 3.203 122.542 119.300 0.065 0.000 4.465 383 C HA -0.113 4.345 4.460 -0.003 0.000 0.274 383 C C 1.039 176.044 174.990 0.024 0.000 1.337 383 C CA 0.352 59.375 59.018 0.009 0.000 1.822 383 C CB -2.815 24.890 27.740 -0.058 0.000 1.357 383 C HN 1.213 nan 8.230 nan 0.000 0.753 384 G N 0.221 109.150 108.800 0.216 0.000 2.599 384 G HA2 0.483 4.440 3.960 -0.003 0.000 0.264 384 G HA3 0.483 4.440 3.960 -0.003 0.000 0.264 384 G C -0.347 174.238 174.900 -0.527 0.000 1.200 384 G CA -0.169 44.967 45.100 0.060 0.000 0.896 384 G HN 0.624 nan 8.290 nan 0.000 0.536 385 N N -0.857 117.183 118.700 -1.100 0.000 2.404 385 N HA 0.585 5.323 4.740 -0.003 0.000 0.297 385 N C -0.770 173.790 175.510 -1.583 0.000 1.163 385 N CA -0.487 51.762 53.050 -1.335 0.000 0.864 385 N CB 2.045 39.611 38.487 -1.534 0.000 1.247 385 N HN 0.637 nan 8.380 nan 0.000 0.510 386 A N 1.322 123.506 122.820 -1.059 0.000 2.402 386 A HA 0.536 4.854 4.320 -0.003 0.000 0.291 386 A C -1.172 176.392 177.584 -0.033 0.000 1.051 386 A CA -0.484 51.220 52.037 -0.555 0.000 0.716 386 A CB 1.000 19.712 19.000 -0.479 0.000 1.223 386 A HN 0.350 nan 8.150 nan 0.000 0.425 387 V N 3.273 123.272 119.914 0.142 0.000 2.531 387 V HA 0.424 4.541 4.120 -0.003 0.000 0.301 387 V C 0.049 176.278 176.094 0.224 0.000 1.034 387 V CA -0.296 62.164 62.300 0.266 0.000 0.865 387 V CB 1.797 33.816 31.823 0.325 0.000 0.995 387 V HN 0.975 nan 8.190 nan 0.000 0.424 388 M N 5.711 125.422 119.600 0.186 0.000 2.725 388 M HA 0.240 4.717 4.480 -0.003 0.000 0.322 388 M C 0.611 176.940 176.300 0.048 0.000 1.393 388 M CA -0.444 54.831 55.300 -0.040 0.000 1.452 388 M CB 0.002 32.580 32.600 -0.036 0.000 1.242 388 M HN 0.868 nan 8.290 nan 0.000 0.487 389 Y N 0.482 120.813 120.300 0.052 0.000 2.544 389 Y HA 0.279 4.826 4.550 -0.004 0.000 0.286 389 Y C 0.028 175.977 175.900 0.082 0.000 1.141 389 Y CA -0.128 58.022 58.100 0.083 0.000 1.299 389 Y CB 0.111 38.625 38.460 0.091 0.000 1.030 389 Y HN 0.436 nan 8.280 nan 0.000 0.543 390 D N 0.599 120.743 120.400 -0.427 0.000 2.330 390 D HA 0.381 5.019 4.640 -0.003 0.000 0.249 390 D C 0.603 176.845 176.300 -0.097 0.000 1.306 390 D CA 0.030 53.915 54.000 -0.191 0.000 0.956 390 D CB 1.416 42.064 40.800 -0.254 0.000 1.261 390 D HN 0.221 nan 8.370 nan 0.000 0.544 391 A N 2.519 125.377 122.820 0.063 0.000 1.969 391 A HA -0.048 4.270 4.320 -0.003 0.000 0.218 391 A C 2.091 179.808 177.584 0.222 0.000 1.169 391 A CA 1.117 53.274 52.037 0.200 0.000 0.635 391 A CB -0.138 19.042 19.000 0.300 0.000 0.810 391 A HN 0.434 nan 8.150 nan 0.000 0.445 392 V N 0.828 120.811 119.914 0.115 0.000 2.233 392 V HA -0.247 3.871 4.120 -0.003 0.000 0.247 392 V C 2.040 178.195 176.094 0.101 0.000 1.050 392 V CA 2.184 64.534 62.300 0.083 0.000 1.010 392 V CB -0.546 31.300 31.823 0.038 0.000 0.637 392 V HN 0.483 nan 8.190 nan 0.000 0.444 393 K N 0.321 120.753 120.400 0.054 0.000 2.505 393 K HA 0.178 4.496 4.320 -0.003 0.000 0.192 393 K C 1.338 177.958 176.600 0.032 0.000 1.025 393 K CA 0.790 57.100 56.287 0.039 0.000 1.086 393 K CB -0.303 32.195 32.500 -0.003 0.000 0.840 393 K HN 0.623 nan 8.250 nan 0.000 0.514 394 G N 2.851 111.702 108.800 0.085 0.000 2.323 394 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.292 394 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.292 394 G C -0.327 174.380 174.900 -0.321 0.000 1.040 394 G CA 0.184 45.235 45.100 -0.081 0.000 0.942 394 G HN 0.125 nan 8.290 nan 0.000 0.506 395 K N -0.006 120.183 120.400 -0.352 0.000 2.276 395 K HA 0.558 4.876 4.320 -0.003 0.000 0.285 395 K C 0.454 176.729 176.600 -0.543 0.000 1.062 395 K CA -0.340 55.660 56.287 -0.479 0.000 0.918 395 K CB 1.357 33.412 32.500 -0.741 0.000 1.055 395 K HN 0.369 nan 8.250 nan 0.000 0.477 396 I N 3.762 124.129 120.570 -0.338 0.000 2.436 396 I HA 0.202 4.370 4.170 -0.003 0.000 0.289 396 I C -0.665 175.476 176.117 0.041 0.000 1.010 396 I CA -1.236 59.921 61.300 -0.238 0.000 1.098 396 I CB 1.725 39.460 38.000 -0.442 0.000 1.266 396 I HN 0.256 nan 8.210 nan 0.000 0.434 397 L N 7.173 128.525 121.223 0.214 0.000 2.282 397 L HA 0.597 4.935 4.340 -0.003 0.000 0.288 397 L C 0.078 177.070 176.870 0.203 0.000 1.033 397 L CA 0.295 55.251 54.840 0.193 0.000 0.807 397 L CB 1.443 43.593 42.059 0.153 0.000 1.209 397 L HN 0.697 nan 8.230 nan 0.000 0.423 398 T N 2.398 117.045 114.554 0.156 0.000 2.829 398 T HA 0.826 5.174 4.350 -0.003 0.000 0.280 398 T C -0.674 174.129 174.700 0.171 0.000 0.999 398 T CA -0.484 61.593 62.100 -0.040 0.000 0.983 398 T CB 0.950 69.803 68.868 -0.025 0.000 0.968 398 T HN 0.503 nan 8.240 nan 0.000 0.446 399 F N -0.304 119.559 119.950 -0.146 0.000 2.668 399 F HA 0.818 5.343 4.527 -0.004 0.000 0.309 399 F C 0.571 176.401 175.800 0.051 0.000 1.117 399 F CA -0.614 57.358 58.000 -0.047 0.000 0.951 399 F CB 0.608 39.587 39.000 -0.035 0.000 1.323 399 F HN 1.131 nan 8.300 nan 0.000 0.451 400 G N 0.449 109.339 108.800 0.149 0.000 2.622 400 G HA2 0.393 4.351 3.960 -0.003 0.000 0.272 400 G HA3 0.393 4.351 3.960 -0.003 0.000 0.272 400 G C 0.379 175.337 174.900 0.097 0.000 1.308 400 G CA 0.674 45.783 45.100 0.015 0.000 0.919 400 G HN 3.140 nan 8.290 nan 0.000 0.565 401 G N -2.932 105.902 108.800 0.056 0.000 2.631 401 G HA2 0.509 4.467 3.960 -0.003 0.000 0.504 401 G HA3 0.509 4.467 3.960 -0.003 0.000 0.504 401 G C -0.063 174.810 174.900 -0.044 0.000 1.306 401 G CA 0.687 45.810 45.100 0.038 0.000 0.897 401 G HN 2.893 nan 8.290 nan 0.000 0.520 402 S N -0.891 114.764 115.700 -0.075 0.000 2.618 402 S HA 0.828 5.296 4.470 -0.003 0.000 0.277 402 S C -1.987 172.588 174.600 -0.041 0.000 1.138 402 S CA -0.644 57.513 58.200 -0.073 0.000 0.844 402 S CB 2.655 65.780 63.200 -0.125 0.000 1.127 402 S HN 0.521 nan 8.310 nan 0.000 0.474 403 P HA 0.019 nan 4.420 nan 0.000 0.216 403 P C -0.426 176.876 177.300 0.003 0.000 1.150 403 P CA 1.428 64.521 63.100 -0.012 0.000 0.837 403 P CB -0.096 31.599 31.700 -0.007 0.000 0.786 404 D N -2.773 117.635 120.400 0.012 0.000 2.457 404 D HA 0.087 4.724 4.640 -0.003 0.000 0.240 404 D C 0.525 176.880 176.300 0.092 0.000 1.041 404 D CA -0.742 53.298 54.000 0.066 0.000 0.861 404 D CB 1.176 42.017 40.800 0.069 0.000 1.394 404 D HN -0.087 nan 8.370 nan 0.000 0.473 405 Y N 1.238 121.570 120.300 0.053 0.000 2.139 405 Y HA -0.282 4.266 4.550 -0.003 0.000 0.282 405 Y C 1.054 177.013 175.900 0.099 0.000 1.179 405 Y CA 1.858 60.024 58.100 0.110 0.000 1.161 405 Y CB 0.389 38.931 38.460 0.136 0.000 0.970 405 Y HN 0.441 nan 8.280 nan 0.000 0.511 406 Q N -2.317 117.637 119.800 0.257 0.000 2.511 406 Q HA 0.267 4.605 4.340 -0.003 0.000 0.289 406 Q C -0.942 175.106 176.000 0.079 0.000 1.021 406 Q CA -0.434 55.470 55.803 0.167 0.000 0.785 406 Q CB 1.918 30.766 28.738 0.183 0.000 1.472 406 Q HN 0.101 nan 8.270 nan 0.000 0.411 407 D N -0.442 119.983 120.400 0.042 0.000 2.870 407 D HA -0.126 4.512 4.640 -0.003 0.000 0.228 407 D C -1.091 175.212 176.300 0.005 0.000 1.147 407 D CA 1.450 55.464 54.000 0.023 0.000 0.757 407 D CB -1.101 39.720 40.800 0.036 0.000 1.091 407 D HN 0.447 nan 8.370 nan 0.000 0.429 408 S N -0.497 115.191 115.700 -0.020 0.000 2.548 408 S HA 0.337 4.804 4.470 -0.003 0.000 0.286 408 S C -0.844 173.716 174.600 -0.066 0.000 1.098 408 S CA -0.802 57.378 58.200 -0.034 0.000 0.930 408 S CB 1.939 65.114 63.200 -0.041 0.000 1.070 408 S HN -0.023 nan 8.310 nan 0.000 0.480 409 D N 2.365 122.732 120.400 -0.054 0.000 2.302 409 D HA 0.502 5.140 4.640 -0.003 0.000 0.248 409 D C 0.304 176.554 176.300 -0.083 0.000 1.094 409 D CA 0.013 53.974 54.000 -0.066 0.000 0.897 409 D CB 1.417 42.189 40.800 -0.045 0.000 1.200 409 D HN 0.598 nan 8.370 nan 0.000 0.429 410 A N 1.611 124.364 122.820 -0.110 0.000 2.313 410 A HA 0.545 4.863 4.320 -0.003 0.000 0.261 410 A C 0.623 178.162 177.584 -0.075 0.000 1.090 410 A CA -0.279 51.685 52.037 -0.121 0.000 0.807 410 A CB 0.415 19.314 19.000 -0.168 0.000 1.055 410 A HN 0.593 nan 8.150 nan 0.000 0.492 411 T N -3.170 111.348 114.554 -0.059 0.000 2.910 411 T HA 0.556 4.904 4.350 -0.003 0.000 0.287 411 T C 0.594 175.266 174.700 -0.047 0.000 1.050 411 T CA 0.253 62.337 62.100 -0.028 0.000 1.011 411 T CB 1.198 70.079 68.868 0.020 0.000 1.195 411 T HN 1.055 nan 8.240 nan 0.000 0.540 412 T N -1.743 112.792 114.554 -0.031 0.000 3.069 412 T HA 0.248 4.596 4.350 -0.003 0.000 0.252 412 T C 0.363 175.054 174.700 -0.016 0.000 1.053 412 T CA -0.534 61.525 62.100 -0.069 0.000 0.964 412 T CB -1.035 67.765 68.868 -0.114 0.000 1.005 412 T HN 0.724 nan 8.240 nan 0.000 0.532 413 N N 1.877 120.622 118.700 0.074 0.000 2.353 413 N HA 0.412 5.150 4.740 -0.003 0.000 0.248 413 N C -0.461 174.968 175.510 -0.135 0.000 1.240 413 N CA 0.059 53.156 53.050 0.077 0.000 0.862 413 N CB 0.308 38.943 38.487 0.245 0.000 1.086 413 N HN 0.528 nan 8.380 nan 0.000 0.453 414 A N 1.466 123.906 122.820 -0.634 0.000 2.517 414 A HA 0.606 4.923 4.320 -0.003 0.000 0.297 414 A C -1.563 175.451 177.584 -0.950 0.000 1.050 414 A CA -0.640 51.092 52.037 -0.508 0.000 0.694 414 A CB 1.002 19.818 19.000 -0.306 0.000 1.277 414 A HN 0.803 nan 8.150 nan 0.000 0.400 415 H N -0.144 118.745 119.070 -0.301 0.000 2.980 415 H HA 0.704 5.258 4.556 -0.004 0.000 0.367 415 H C -1.146 174.126 175.328 -0.093 0.000 1.206 415 H CA -0.488 55.441 56.048 -0.199 0.000 1.126 415 H CB 1.670 31.397 29.762 -0.058 0.000 1.838 415 H HN 0.562 nan 8.280 nan 0.000 0.552 416 I N 2.340 122.963 120.570 0.088 0.000 2.389 416 I HA 0.322 4.490 4.170 -0.003 0.000 0.288 416 I C -0.623 175.540 176.117 0.077 0.000 0.999 416 I CA -0.170 61.179 61.300 0.082 0.000 1.129 416 I CB 1.151 39.212 38.000 0.103 0.000 1.288 416 I HN 0.282 nan 8.210 nan 0.000 0.444 417 I N 5.341 125.922 120.570 0.019 0.000 2.404 417 I HA 0.355 4.523 4.170 -0.003 0.000 0.293 417 I C -0.347 175.684 176.117 -0.144 0.000 0.992 417 I CA -0.305 60.967 61.300 -0.047 0.000 1.149 417 I CB 1.924 39.887 38.000 -0.062 0.000 1.315 417 I HN 0.472 nan 8.210 nan 0.000 0.446 418 T N 7.051 121.526 114.554 -0.132 0.000 2.770 418 T HA 0.508 4.856 4.350 -0.003 0.000 0.283 418 T C -0.083 174.481 174.700 -0.226 0.000 0.988 418 T CA -0.488 61.514 62.100 -0.163 0.000 0.957 418 T CB 0.817 69.649 68.868 -0.060 0.000 0.930 418 T HN 0.259 nan 8.240 nan 0.000 0.443 419 L N 2.521 123.532 121.223 -0.353 0.000 2.375 419 L HA 0.665 5.003 4.340 -0.003 0.000 0.271 419 L C 1.145 178.022 176.870 0.012 0.000 1.107 419 L CA -0.376 54.247 54.840 -0.361 0.000 0.806 419 L CB 1.030 42.538 42.059 -0.918 0.000 1.146 419 L HN 0.802 nan 8.230 nan 0.000 0.447 420 G N 1.214 110.106 108.800 0.152 0.000 3.414 420 G HA2 0.267 4.224 3.960 -0.003 0.000 0.189 420 G HA3 0.267 4.224 3.960 -0.003 0.000 0.189 420 G C -0.521 174.579 174.900 0.333 0.000 1.329 420 G CA -0.246 44.987 45.100 0.222 0.000 0.851 420 G HN 0.431 nan 8.290 nan 0.000 0.671 421 E N 1.780 122.056 120.200 0.126 0.000 2.301 421 E HA 0.335 4.683 4.350 -0.003 0.000 0.275 421 E C -2.168 174.247 176.600 -0.308 0.000 1.030 421 E CA -2.067 54.332 56.400 -0.001 0.000 0.852 421 E CB 1.247 30.915 29.700 -0.054 0.000 1.060 421 E HN 0.075 nan 8.360 nan 0.000 0.401 422 P HA -0.034 nan 4.420 nan 0.000 0.266 422 P C 0.786 177.469 177.300 -1.028 0.000 1.193 422 P CA 0.833 63.180 63.100 -1.255 0.000 0.770 422 P CB 0.439 31.864 31.700 -0.457 0.000 0.836 423 G N 0.919 108.795 108.800 -1.541 0.000 2.225 423 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.254 423 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.254 423 G C 0.305 175.083 174.900 -0.203 0.000 0.988 423 G CA 0.461 45.265 45.100 -0.494 0.000 0.625 423 G HN 0.916 nan 8.290 nan 0.000 0.527 424 T N -1.265 113.165 114.554 -0.206 0.000 2.934 424 T HA 0.680 5.028 4.350 -0.003 0.000 0.283 424 T C 0.246 175.195 174.700 0.416 0.000 1.005 424 T CA 0.377 62.548 62.100 0.118 0.000 1.041 424 T CB 1.949 70.849 68.868 0.053 0.000 1.042 424 T HN 0.448 nan 8.240 nan 0.000 0.505 425 S N 4.016 119.879 115.700 0.271 0.000 2.416 425 S HA 0.387 4.855 4.470 -0.003 0.000 0.287 425 S C -1.967 172.735 174.600 0.170 0.000 1.139 425 S CA -0.846 57.497 58.200 0.238 0.000 1.058 425 S CB -0.012 63.283 63.200 0.158 0.000 0.967 425 S HN 0.684 nan 8.310 nan 0.000 0.495 426 P HA 0.178 nan 4.420 nan 0.000 0.272 426 P C -0.465 176.851 177.300 0.027 0.000 1.240 426 P CA -0.610 62.503 63.100 0.023 0.000 0.791 426 P CB 0.430 32.027 31.700 -0.171 0.000 0.978 427 N N -0.081 118.624 118.700 0.009 0.000 2.455 427 N HA 0.376 5.114 4.740 -0.003 0.000 0.280 427 N C -0.893 174.635 175.510 0.031 0.000 1.055 427 N CA -0.213 52.855 53.050 0.030 0.000 0.961 427 N CB 0.398 38.902 38.487 0.028 0.000 1.121 427 N HN 0.487 nan 8.380 nan 0.000 0.476 428 T N 0.294 114.887 114.554 0.065 0.000 2.893 428 T HA 0.683 5.031 4.350 -0.003 0.000 0.293 428 T C -0.472 174.321 174.700 0.155 0.000 1.027 428 T CA -0.746 61.414 62.100 0.100 0.000 0.988 428 T CB 0.696 69.613 68.868 0.081 0.000 1.043 428 T HN 0.357 nan 8.240 nan 0.000 0.461 429 V N 0.265 120.293 119.914 0.190 0.000 3.159 429 V HA 0.793 4.911 4.120 -0.003 0.000 0.308 429 V C -0.561 175.649 176.094 0.193 0.000 1.190 429 V CA -1.523 60.896 62.300 0.199 0.000 1.037 429 V CB 1.467 33.370 31.823 0.134 0.000 1.060 429 V HN 0.910 nan 8.190 nan 0.000 0.437 430 F N 1.843 121.795 119.950 0.002 0.000 2.459 430 F HA 0.636 5.162 4.527 -0.003 0.000 0.346 430 F C 0.892 176.650 175.800 -0.069 0.000 1.128 430 F CA 0.576 58.469 58.000 -0.179 0.000 1.268 430 F CB 0.961 39.869 39.000 -0.153 0.000 1.161 430 F HN 0.912 nan 8.300 nan 0.000 0.583 431 A N 4.754 127.353 122.820 -0.367 0.000 2.294 431 A HA 0.508 4.826 4.320 -0.003 0.000 0.316 431 A C 0.599 178.320 177.584 0.227 0.000 1.359 431 A CA 0.431 52.419 52.037 -0.081 0.000 0.956 431 A CB 0.327 19.148 19.000 -0.298 0.000 1.155 431 A HN 1.110 nan 8.150 nan 0.000 0.544 432 S N 1.950 117.812 115.700 0.270 0.000 4.054 432 S HA -0.342 4.126 4.470 -0.003 0.000 0.618 432 S C 1.135 175.911 174.600 0.294 0.000 2.026 432 S CA 2.022 60.381 58.200 0.266 0.000 4.205 432 S CB -1.020 62.392 63.200 0.355 0.000 0.233 432 S HN 1.369 nan 8.310 nan 0.000 0.612 433 N N 1.897 120.725 118.700 0.214 0.000 2.234 433 N HA 0.419 5.157 4.740 -0.003 0.000 0.227 433 N C 0.131 175.725 175.510 0.139 0.000 1.151 433 N CA 1.699 54.818 53.050 0.114 0.000 0.865 433 N CB 0.573 39.022 38.487 -0.064 0.000 1.066 433 N HN 1.300 nan 8.380 nan 0.000 0.515 434 G N -0.100 108.792 108.800 0.154 0.000 2.631 434 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.504 434 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.504 434 G C -0.827 173.607 174.900 -0.777 0.000 1.306 434 G CA -0.577 44.437 45.100 -0.144 0.000 0.897 434 G HN 0.179 nan 8.290 nan 0.000 0.520 435 L N -0.373 120.401 121.223 -0.749 0.000 2.464 435 L HA 0.316 4.654 4.340 -0.003 0.000 0.264 435 L C 1.664 178.169 176.870 -0.608 0.000 1.199 435 L CA -0.521 53.782 54.840 -0.895 0.000 0.818 435 L CB 0.405 42.188 42.059 -0.461 0.000 1.102 435 L HN 0.666 nan 8.230 nan 0.000 0.473 436 Y N 0.368 120.342 120.300 -0.543 0.000 2.263 436 Y HA -0.040 4.508 4.550 -0.003 0.000 0.292 436 Y C 0.417 175.830 175.900 -0.810 0.000 1.130 436 Y CA 1.177 58.908 58.100 -0.615 0.000 1.179 436 Y CB 0.128 38.156 38.460 -0.720 0.000 0.998 436 Y HN 0.218 nan 8.280 nan 0.000 0.532 437 F N -0.433 119.497 119.950 -0.032 0.000 2.477 437 F HA 0.579 5.104 4.527 -0.004 0.000 0.335 437 F C 0.238 175.946 175.800 -0.153 0.000 1.130 437 F CA -1.871 56.080 58.000 -0.082 0.000 0.948 437 F CB 0.665 39.616 39.000 -0.081 0.000 1.154 437 F HN -0.252 nan 8.300 nan 0.000 0.439 438 A N 5.082 127.918 122.820 0.027 0.000 2.520 438 A HA 0.571 4.889 4.320 -0.003 0.000 0.245 438 A C 0.238 177.762 177.584 -0.100 0.000 1.072 438 A CA -0.141 51.860 52.037 -0.060 0.000 0.761 438 A CB 0.089 19.057 19.000 -0.054 0.000 1.004 438 A HN 0.928 nan 8.150 nan 0.000 0.499 439 R N 0.495 120.865 120.500 -0.216 0.000 2.680 439 R HA 0.780 5.118 4.340 -0.003 0.000 0.269 439 R C -1.235 174.835 176.300 -0.384 0.000 1.026 439 R CA -0.496 55.413 56.100 -0.318 0.000 0.889 439 R CB 1.453 31.517 30.300 -0.393 0.000 1.241 439 R HN 0.565 nan 8.270 nan 0.000 0.463 440 T N 1.214 115.595 114.554 -0.288 0.000 2.916 440 T HA 0.536 4.883 4.350 -0.003 0.000 0.305 440 T C -0.833 173.752 174.700 -0.191 0.000 1.119 440 T CA -0.240 61.690 62.100 -0.285 0.000 1.008 440 T CB 0.552 69.083 68.868 -0.562 0.000 1.129 440 T HN 0.581 nan 8.240 nan 0.000 0.480 441 F N 1.998 122.007 119.950 0.098 0.000 2.953 441 F HA -0.169 4.355 4.527 -0.004 0.000 0.292 441 F C 0.768 176.555 175.800 -0.022 0.000 0.747 441 F CA 0.675 58.657 58.000 -0.029 0.000 1.222 441 F CB -2.983 36.000 39.000 -0.028 0.000 1.457 441 F HN 0.800 nan 8.300 nan 0.000 0.383 442 H N -0.058 119.001 119.070 -0.018 0.000 2.597 442 H HA 0.730 5.284 4.556 -0.004 0.000 0.370 442 H C 0.655 175.951 175.328 -0.054 0.000 1.281 442 H CA 0.207 56.225 56.048 -0.049 0.000 1.422 442 H CB 0.545 30.286 29.762 -0.035 0.000 1.524 442 H HN 0.218 nan 8.280 nan 0.000 0.607 443 T N -1.889 112.642 114.554 -0.038 0.000 2.901 443 T HA 0.661 5.009 4.350 -0.003 0.000 0.293 443 T C -0.567 174.157 174.700 0.039 0.000 1.084 443 T CA -0.633 61.419 62.100 -0.081 0.000 1.008 443 T CB 1.647 70.489 68.868 -0.044 0.000 1.170 443 T HN 0.975 nan 8.240 nan 0.000 0.509 444 S N -0.550 115.192 115.700 0.071 0.000 2.567 444 S HA 0.784 5.252 4.470 -0.003 0.000 0.270 444 S C -0.942 173.774 174.600 0.193 0.000 1.152 444 S CA -0.438 57.873 58.200 0.186 0.000 0.835 444 S CB 1.150 64.564 63.200 0.357 0.000 1.115 444 S HN 2.103 nan 8.310 nan 0.000 0.459 445 V N -1.439 118.624 119.914 0.249 0.000 2.971 445 V HA 0.903 5.021 4.120 -0.003 0.000 0.309 445 V C -0.564 175.657 176.094 0.212 0.000 1.130 445 V CA -0.828 61.599 62.300 0.211 0.000 0.964 445 V CB 1.363 33.307 31.823 0.201 0.000 1.029 445 V HN 1.383 nan 8.190 nan 0.000 0.427 446 V N 5.924 125.948 119.914 0.182 0.000 2.461 446 V HA 0.499 4.617 4.120 -0.003 0.000 0.275 446 V C 0.092 176.266 176.094 0.132 0.000 1.047 446 V CA -0.141 62.265 62.300 0.177 0.000 0.955 446 V CB 0.661 32.609 31.823 0.208 0.000 0.988 446 V HN 0.860 nan 8.190 nan 0.000 0.471 447 L N 8.229 129.522 121.223 0.116 0.000 2.456 447 L HA 0.388 4.726 4.340 -0.003 0.000 0.257 447 L C -1.180 175.669 176.870 -0.035 0.000 1.162 447 L CA -1.721 53.162 54.840 0.072 0.000 0.808 447 L CB 0.652 42.825 42.059 0.189 0.000 1.136 447 L HN 0.414 nan 8.230 nan 0.000 0.466 448 P HA -0.220 nan 4.420 nan 0.000 0.218 448 P C 0.611 177.796 177.300 -0.192 0.000 1.152 448 P CA 1.429 64.272 63.100 -0.429 0.000 0.857 448 P CB -0.038 31.089 31.700 -0.956 0.000 0.787 449 D N -2.303 118.009 120.400 -0.147 0.000 2.340 449 D HA 0.077 4.715 4.640 -0.003 0.000 0.220 449 D C 1.401 177.708 176.300 0.011 0.000 1.039 449 D CA 0.649 54.611 54.000 -0.064 0.000 0.866 449 D CB -0.895 39.870 40.800 -0.059 0.000 0.913 449 D HN 0.250 nan 8.370 nan 0.000 0.523 450 G N 0.089 108.925 108.800 0.059 0.000 2.176 450 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.253 450 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.253 450 G C 0.380 175.320 174.900 0.066 0.000 0.979 450 G CA 0.462 45.644 45.100 0.135 0.000 0.641 450 G HN 0.889 nan 8.290 nan 0.000 0.530 451 S N -0.097 115.623 115.700 0.033 0.000 2.601 451 S HA 0.656 5.124 4.470 -0.003 0.000 0.271 451 S C 0.088 174.721 174.600 0.055 0.000 1.305 451 S CA 0.615 58.808 58.200 -0.011 0.000 1.022 451 S CB 1.827 65.029 63.200 0.004 0.000 0.940 451 S HN 0.580 nan 8.310 nan 0.000 0.525 452 T N 3.557 118.133 114.554 0.037 0.000 2.749 452 T HA 0.372 4.720 4.350 -0.003 0.000 0.287 452 T C -0.775 173.994 174.700 0.115 0.000 0.970 452 T CA -0.275 61.873 62.100 0.080 0.000 0.980 452 T CB 0.122 68.997 68.868 0.011 0.000 0.924 452 T HN 0.565 nan 8.240 nan 0.000 0.456 453 F N 5.151 125.108 119.950 0.012 0.000 2.424 453 F HA 0.569 5.098 4.527 0.003 0.000 0.356 453 F C -0.556 175.248 175.800 0.006 0.000 1.110 453 F CA -1.324 56.666 58.000 -0.017 0.000 1.161 453 F CB 0.233 39.211 39.000 -0.038 0.000 1.115 453 F HN 0.424 nan 8.300 nan 0.000 0.507 454 I N 6.023 126.257 120.570 -0.561 0.000 2.389 454 I HA 0.376 4.544 4.170 -0.003 0.000 0.288 454 I C -0.214 175.529 176.117 -0.623 0.000 0.999 454 I CA -0.450 60.623 61.300 -0.378 0.000 1.129 454 I CB 1.762 39.634 38.000 -0.213 0.000 1.288 454 I HN 0.542 nan 8.210 nan 0.000 0.444 455 T N 3.688 118.014 114.554 -0.381 0.000 2.923 455 T HA 0.714 5.062 4.350 -0.003 0.000 0.311 455 T C -0.186 174.458 174.700 -0.093 0.000 1.183 455 T CA 0.585 62.508 62.100 -0.295 0.000 1.020 455 T CB 1.642 70.347 68.868 -0.271 0.000 1.165 455 T HN 1.164 nan 8.240 nan 0.000 0.482 456 G N 1.494 110.215 108.800 -0.133 0.000 2.632 456 G HA2 0.420 4.378 3.960 -0.003 0.000 0.224 456 G HA3 0.420 4.378 3.960 -0.003 0.000 0.224 456 G C 0.568 175.395 174.900 -0.121 0.000 1.341 456 G CA 0.311 45.319 45.100 -0.154 0.000 0.880 456 G HN 2.497 nan 8.290 nan 0.000 0.566 457 G N -1.746 106.997 108.800 -0.095 0.000 2.757 457 G HA2 0.527 4.485 3.960 -0.003 0.000 0.638 457 G HA3 0.527 4.485 3.960 -0.003 0.000 0.638 457 G C -0.320 174.482 174.900 -0.162 0.000 1.344 457 G CA 0.926 45.993 45.100 -0.057 0.000 0.855 457 G HN 2.434 nan 8.290 nan 0.000 0.537 458 Q N -1.241 118.472 119.800 -0.145 0.000 2.456 458 Q HA 0.711 5.049 4.340 -0.003 0.000 0.283 458 Q C 0.971 176.873 176.000 -0.163 0.000 1.084 458 Q CA -0.848 54.861 55.803 -0.156 0.000 0.801 458 Q CB 1.913 30.593 28.738 -0.098 0.000 1.434 458 Q HN 0.704 nan 8.270 nan 0.000 0.419 459 R N 0.313 120.736 120.500 -0.129 0.000 2.153 459 R HA 0.091 4.429 4.340 -0.003 0.000 0.218 459 R C -0.013 176.221 176.300 -0.110 0.000 1.072 459 R CA 0.686 56.722 56.100 -0.106 0.000 0.990 459 R CB 0.493 30.756 30.300 -0.061 0.000 0.889 459 R HN 0.671 nan 8.270 nan 0.000 0.452 460 R N -0.387 120.049 120.500 -0.106 0.000 2.538 460 R HA 0.260 4.598 4.340 -0.003 0.000 0.292 460 R C -1.293 174.941 176.300 -0.109 0.000 1.008 460 R CA -0.433 55.608 56.100 -0.098 0.000 0.896 460 R CB 1.882 32.149 30.300 -0.055 0.000 1.187 460 R HN 0.179 nan 8.270 nan 0.000 0.440 461 G N 5.174 113.872 108.800 -0.170 0.000 2.365 461 G HA2 0.402 4.360 3.960 -0.003 0.000 0.293 461 G HA3 0.402 4.360 3.960 -0.003 0.000 0.293 461 G C -0.203 174.732 174.900 0.058 0.000 1.128 461 G CA -0.299 44.697 45.100 -0.174 0.000 0.971 461 G HN 0.563 nan 8.290 nan 0.000 0.422 462 I N 4.364 125.022 120.570 0.147 0.000 2.649 462 I HA 0.177 4.345 4.170 -0.003 0.000 0.275 462 I C -2.425 173.712 176.117 0.034 0.000 1.153 462 I CA -1.842 59.508 61.300 0.083 0.000 1.069 462 I CB 2.626 40.656 38.000 0.050 0.000 1.227 462 I HN 0.254 nan 8.210 nan 0.000 0.505 463 P HA 0.016 nan 4.420 nan 0.000 0.263 463 P C -0.122 176.938 177.300 -0.401 0.000 1.175 463 P CA 0.641 63.340 63.100 -0.668 0.000 0.761 463 P CB 0.059 31.029 31.700 -1.217 0.000 0.794 464 F N -0.887 119.077 119.950 0.022 0.000 2.656 464 F HA -0.208 4.317 4.527 -0.004 0.000 0.381 464 F C 0.610 176.434 175.800 0.041 0.000 0.603 464 F CA 0.814 58.848 58.000 0.057 0.000 1.335 464 F CB -1.977 37.071 39.000 0.079 0.000 1.836 464 F HN 0.329 nan 8.300 nan 0.000 0.290 465 E N 0.815 121.098 120.200 0.139 0.000 2.187 465 E HA 0.366 4.714 4.350 -0.003 0.000 0.268 465 E C -0.283 176.358 176.600 0.068 0.000 0.896 465 E CA -0.530 55.930 56.400 0.099 0.000 0.766 465 E CB 0.919 30.667 29.700 0.079 0.000 1.142 465 E HN 0.033 nan 8.360 nan 0.000 0.408 466 D N 2.599 123.033 120.400 0.056 0.000 2.690 466 D HA 0.064 4.702 4.640 -0.003 0.000 0.236 466 D C -0.314 175.981 176.300 -0.009 0.000 1.218 466 D CA 0.167 54.183 54.000 0.026 0.000 0.829 466 D CB -0.005 40.833 40.800 0.063 0.000 1.009 466 D HN 0.293 nan 8.370 nan 0.000 0.482 467 S N -0.932 114.767 115.700 -0.002 0.000 2.669 467 S HA 0.263 4.731 4.470 -0.003 0.000 0.270 467 S C 0.817 175.385 174.600 -0.053 0.000 1.225 467 S CA -0.401 57.790 58.200 -0.015 0.000 0.991 467 S CB 0.897 64.098 63.200 0.002 0.000 0.987 467 S HN 0.313 nan 8.310 nan 0.000 0.552 468 T N -2.028 112.492 114.554 -0.057 0.000 3.479 468 T HA -0.123 4.225 4.350 -0.003 0.000 0.396 468 T C -1.971 172.635 174.700 -0.157 0.000 0.768 468 T CA 0.323 62.376 62.100 -0.078 0.000 1.954 468 T CB -2.310 66.523 68.868 -0.058 0.000 1.731 468 T HN 0.637 nan 8.240 nan 0.000 0.661 469 P HA 0.504 nan 4.420 nan 0.000 0.278 469 P C -0.198 176.761 177.300 -0.567 0.000 1.238 469 P CA -0.548 62.259 63.100 -0.488 0.000 0.794 469 P CB 1.406 32.659 31.700 -0.746 0.000 0.955 470 V N 3.915 123.480 119.914 -0.582 0.000 2.328 470 V HA 0.208 4.326 4.120 -0.003 0.000 0.278 470 V C 0.639 176.387 176.094 -0.577 0.000 1.021 470 V CA -0.005 61.971 62.300 -0.541 0.000 0.838 470 V CB 0.266 31.836 31.823 -0.421 0.000 0.999 470 V HN 0.437 nan 8.190 nan 0.000 0.447 471 F N 1.051 120.779 119.950 -0.369 0.000 2.731 471 F HA 0.159 4.683 4.527 -0.004 0.000 0.298 471 F C 1.415 177.049 175.800 -0.278 0.000 1.106 471 F CA 0.060 57.874 58.000 -0.311 0.000 1.329 471 F CB 0.396 39.234 39.000 -0.270 0.000 1.100 471 F HN 0.360 nan 8.300 nan 0.000 0.592 472 T N 4.150 118.585 114.554 -0.198 0.000 2.747 472 T HA 0.256 4.604 4.350 -0.003 0.000 0.301 472 T C -2.382 172.250 174.700 -0.113 0.000 0.952 472 T CA -1.498 60.513 62.100 -0.149 0.000 0.983 472 T CB 0.910 69.649 68.868 -0.215 0.000 0.930 472 T HN -0.204 nan 8.240 nan 0.000 0.494 473 P HA 0.404 nan 4.420 nan 0.000 0.274 473 P C -0.452 176.818 177.300 -0.049 0.000 1.256 473 P CA -0.575 62.435 63.100 -0.149 0.000 0.795 473 P CB 0.975 32.518 31.700 -0.262 0.000 1.038 474 E N -0.054 120.076 120.200 -0.116 0.000 2.340 474 E HA 0.585 4.933 4.350 -0.003 0.000 0.273 474 E C -0.846 175.782 176.600 0.046 0.000 0.891 474 E CA -0.647 55.800 56.400 0.077 0.000 0.757 474 E CB 2.043 31.853 29.700 0.183 0.000 1.231 474 E HN 0.302 nan 8.360 nan 0.000 0.439 475 I N 2.415 123.115 120.570 0.218 0.000 2.436 475 I HA 0.246 4.414 4.170 -0.003 0.000 0.289 475 I C -1.312 174.932 176.117 0.212 0.000 1.010 475 I CA -0.955 60.467 61.300 0.203 0.000 1.098 475 I CB 1.254 39.383 38.000 0.215 0.000 1.266 475 I HN 0.540 nan 8.210 nan 0.000 0.434 476 Y N 7.126 127.340 120.300 -0.143 0.000 2.341 476 Y HA 0.443 4.991 4.550 -0.004 0.000 0.340 476 Y C -0.636 175.072 175.900 -0.320 0.000 0.997 476 Y CA -0.546 57.239 58.100 -0.526 0.000 1.149 476 Y CB 1.189 39.111 38.460 -0.896 0.000 1.171 476 Y HN 0.210 nan 8.280 nan 0.000 0.494 477 V N 10.601 130.057 119.914 -0.763 0.000 2.304 477 V HA 0.185 4.303 4.120 -0.003 0.000 0.269 477 V C -1.493 174.119 176.094 -0.804 0.000 1.036 477 V CA -1.482 60.510 62.300 -0.514 0.000 0.840 477 V CB 1.045 32.763 31.823 -0.176 0.000 1.036 477 V HN 0.762 nan 8.190 nan 0.000 0.466 478 P HA -0.192 nan 4.420 nan 0.000 0.215 478 P C 1.125 178.276 177.300 -0.249 0.000 1.157 478 P CA 1.448 64.271 63.100 -0.462 0.000 0.874 478 P CB 0.547 32.067 31.700 -0.301 0.000 0.790 479 E N 0.250 120.355 120.200 -0.159 0.000 2.118 479 E HA -0.192 4.156 4.350 -0.003 0.000 0.195 479 E C 2.270 178.813 176.600 -0.095 0.000 0.992 479 E CA 1.390 57.742 56.400 -0.080 0.000 0.804 479 E CB -0.958 28.711 29.700 -0.052 0.000 0.741 479 E HN 0.487 nan 8.360 nan 0.000 0.458 480 Q N -0.228 119.481 119.800 -0.152 0.000 2.402 480 Q HA 0.009 4.347 4.340 -0.003 0.000 0.206 480 Q C -0.118 175.781 176.000 -0.169 0.000 0.919 480 Q CA 0.429 56.162 55.803 -0.116 0.000 0.923 480 Q CB 0.416 29.125 28.738 -0.049 0.000 1.048 480 Q HN 0.160 nan 8.270 nan 0.000 0.515 481 D N 0.531 120.740 120.400 -0.318 0.000 2.723 481 D HA -0.134 4.504 4.640 -0.003 0.000 0.236 481 D C -1.296 174.849 176.300 -0.258 0.000 1.138 481 D CA 0.964 54.797 54.000 -0.278 0.000 0.676 481 D CB -0.831 39.949 40.800 -0.033 0.000 1.069 481 D HN 0.095 nan 8.370 nan 0.000 0.430 482 T N 0.474 114.748 114.554 -0.468 0.000 2.893 482 T HA 0.603 4.951 4.350 -0.003 0.000 0.293 482 T C -0.347 174.108 174.700 -0.409 0.000 1.027 482 T CA -0.554 61.344 62.100 -0.337 0.000 0.988 482 T CB 0.821 69.488 68.868 -0.336 0.000 1.043 482 T HN 0.029 nan 8.240 nan 0.000 0.461 483 F N 1.781 121.602 119.950 -0.215 0.000 2.425 483 F HA 0.651 5.176 4.527 -0.004 0.000 0.331 483 F C -0.500 175.260 175.800 -0.067 0.000 1.085 483 F CA -0.633 57.364 58.000 -0.006 0.000 1.028 483 F CB 1.156 40.194 39.000 0.062 0.000 1.177 483 F HN 0.473 nan 8.300 nan 0.000 0.487 484 Y N 1.161 121.689 120.300 0.381 0.000 2.406 484 Y HA 0.383 4.932 4.550 -0.001 0.000 0.340 484 Y C -0.213 175.755 175.900 0.114 0.000 0.975 484 Y CA -1.384 56.853 58.100 0.227 0.000 1.056 484 Y CB 1.719 40.242 38.460 0.105 0.000 1.210 484 Y HN 0.413 nan 8.280 nan 0.000 0.448 485 K N 2.581 123.009 120.400 0.047 0.000 2.219 485 K HA 0.282 4.600 4.320 -0.003 0.000 0.258 485 K C -0.328 176.342 176.600 0.117 0.000 1.008 485 K CA -0.550 55.732 56.287 -0.009 0.000 0.928 485 K CB 0.514 32.902 32.500 -0.187 0.000 0.983 485 K HN 0.533 nan 8.250 nan 0.000 0.484 486 Q N 0.830 120.714 119.800 0.140 0.000 2.552 486 Q HA 0.269 4.607 4.340 -0.003 0.000 0.289 486 Q C -0.602 175.535 176.000 0.228 0.000 1.097 486 Q CA -1.031 54.902 55.803 0.216 0.000 0.812 486 Q CB 0.870 29.784 28.738 0.295 0.000 1.460 486 Q HN 0.481 nan 8.270 nan 0.000 0.452 487 N N 2.913 121.787 118.700 0.291 0.000 2.412 487 N HA 0.113 4.851 4.740 -0.003 0.000 0.254 487 N C -2.182 173.564 175.510 0.395 0.000 1.232 487 N CA -0.462 52.755 53.050 0.279 0.000 0.880 487 N CB 0.092 38.748 38.487 0.282 0.000 1.076 487 N HN 0.252 nan 8.380 nan 0.000 0.458 488 P HA 0.064 nan 4.420 nan 0.000 0.274 488 P C -0.409 176.886 177.300 -0.008 0.000 1.237 488 P CA -0.407 62.770 63.100 0.129 0.000 0.793 488 P CB 0.912 32.619 31.700 0.012 0.000 0.977 489 N N 0.035 118.574 118.700 -0.269 0.000 2.563 489 N HA 0.186 4.924 4.740 -0.003 0.000 0.288 489 N C 0.123 175.456 175.510 -0.296 0.000 1.246 489 N CA -0.638 52.034 53.050 -0.629 0.000 0.946 489 N CB 0.815 38.333 38.487 -1.614 0.000 1.213 489 N HN 0.217 nan 8.380 nan 0.000 0.578 490 S N -0.963 114.573 115.700 -0.273 0.000 2.526 490 S HA 0.381 4.849 4.470 -0.003 0.000 0.220 490 S C 0.565 175.148 174.600 -0.029 0.000 1.017 490 S CA -0.397 57.664 58.200 -0.232 0.000 0.930 490 S CB 0.035 63.126 63.200 -0.181 0.000 0.856 490 S HN 0.484 nan 8.310 nan 0.000 0.497 491 I N 2.372 122.900 120.570 -0.069 0.000 2.331 491 I HA 0.265 4.433 4.170 -0.003 0.000 0.292 491 I C -0.376 175.640 176.117 -0.170 0.000 0.998 491 I CA -0.656 60.580 61.300 -0.107 0.000 1.267 491 I CB 1.556 39.438 38.000 -0.196 0.000 1.386 491 I HN -0.148 nan 8.210 nan 0.000 0.476 492 V N 7.340 127.124 119.914 -0.217 0.000 2.637 492 V HA 0.210 4.328 4.120 -0.003 0.000 0.296 492 V C 0.451 176.261 176.094 -0.473 0.000 1.046 492 V CA -0.326 61.750 62.300 -0.373 0.000 1.066 492 V CB 0.425 32.097 31.823 -0.251 0.000 0.968 492 V HN 0.618 nan 8.190 nan 0.000 0.483 493 R N 4.133 124.409 120.500 -0.372 0.000 2.415 493 R HA 0.459 4.797 4.340 -0.003 0.000 0.292 493 R C -0.357 175.836 176.300 -0.178 0.000 1.295 493 R CA -0.118 55.810 56.100 -0.285 0.000 1.137 493 R CB 1.356 31.508 30.300 -0.247 0.000 1.135 493 R HN 0.690 nan 8.270 nan 0.000 0.560 494 V N -0.770 119.075 119.914 -0.114 0.000 6.168 494 V HA 0.458 4.576 4.120 -0.003 0.000 0.275 494 V C 0.322 176.395 176.094 -0.035 0.000 1.598 494 V CA -0.939 61.367 62.300 0.011 0.000 0.646 494 V CB -0.287 31.569 31.823 0.056 0.000 1.463 494 V HN 0.412 nan 8.190 nan 0.000 0.394 495 Y N 1.838 121.955 120.300 -0.304 0.000 2.895 495 Y HA 0.101 4.649 4.550 -0.003 0.000 0.334 495 Y C 1.098 176.680 175.900 -0.529 0.000 1.261 495 Y CA 1.717 59.333 58.100 -0.808 0.000 1.560 495 Y CB -1.050 36.634 38.460 -1.293 0.000 1.253 495 Y HN 0.804 nan 8.280 nan 0.000 0.582 496 H N 0.918 119.335 119.070 -1.089 0.000 3.132 496 H HA -0.187 4.367 4.556 -0.004 0.000 0.237 496 H C 0.342 175.391 175.328 -0.466 0.000 1.189 496 H CA 0.133 55.689 56.048 -0.820 0.000 1.129 496 H CB -1.466 27.980 29.762 -0.527 0.000 1.225 496 H HN 0.586 nan 8.280 nan 0.000 0.323 497 S N 0.713 116.250 115.700 -0.273 0.000 2.669 497 S HA 0.700 5.168 4.470 -0.003 0.000 0.270 497 S C 0.277 174.762 174.600 -0.193 0.000 1.225 497 S CA -0.317 57.768 58.200 -0.192 0.000 0.991 497 S CB 2.392 65.495 63.200 -0.162 0.000 0.987 497 S HN 0.443 nan 8.310 nan 0.000 0.552 498 I N -2.735 117.755 120.570 -0.133 0.000 2.994 498 I HA 0.849 5.017 4.170 -0.003 0.000 0.306 498 I C -1.039 175.076 176.117 -0.004 0.000 1.195 498 I CA -0.740 60.509 61.300 -0.085 0.000 1.001 498 I CB 2.224 40.181 38.000 -0.071 0.000 1.244 498 I HN 0.556 nan 8.210 nan 0.000 0.437 499 S N 4.020 119.751 115.700 0.052 0.000 2.548 499 S HA 0.853 5.321 4.470 -0.003 0.000 0.276 499 S C -0.959 173.741 174.600 0.166 0.000 1.129 499 S CA -0.598 57.687 58.200 0.142 0.000 0.931 499 S CB 1.548 64.859 63.200 0.184 0.000 1.068 499 S HN 0.607 nan 8.310 nan 0.000 0.480 500 L N 2.243 123.613 121.223 0.244 0.000 2.434 500 L HA 0.570 4.908 4.340 -0.003 0.000 0.260 500 L C -1.323 175.682 176.870 0.226 0.000 0.983 500 L CA -0.916 54.053 54.840 0.215 0.000 0.820 500 L CB 1.912 44.096 42.059 0.208 0.000 1.361 500 L HN 0.523 nan 8.230 nan 0.000 0.410 501 L N 2.949 124.277 121.223 0.176 0.000 2.305 501 L HA 0.477 4.815 4.340 -0.003 0.000 0.281 501 L C -0.781 176.198 176.870 0.181 0.000 1.085 501 L CA 0.215 55.154 54.840 0.164 0.000 0.813 501 L CB 0.812 42.949 42.059 0.131 0.000 1.157 501 L HN 0.380 nan 8.230 nan 0.000 0.436 502 L N 7.401 128.742 121.223 0.196 0.000 2.350 502 L HA 0.389 4.727 4.340 -0.003 0.000 0.275 502 L C -1.173 175.825 176.870 0.213 0.000 1.099 502 L CA -1.679 53.274 54.840 0.189 0.000 0.808 502 L CB 0.732 42.913 42.059 0.202 0.000 1.149 502 L HN 0.541 nan 8.230 nan 0.000 0.442 503 P HA -0.179 nan 4.420 nan 0.000 0.224 503 P C 0.293 177.722 177.300 0.215 0.000 1.142 503 P CA 1.042 64.236 63.100 0.157 0.000 0.778 503 P CB -0.078 31.683 31.700 0.102 0.000 0.764 504 D N -2.599 117.922 120.400 0.202 0.000 2.349 504 D HA 0.206 4.843 4.640 -0.003 0.000 0.214 504 D C 1.422 177.842 176.300 0.200 0.000 1.063 504 D CA 0.258 54.367 54.000 0.181 0.000 0.847 504 D CB -0.680 40.175 40.800 0.092 0.000 0.933 504 D HN 0.187 nan 8.370 nan 0.000 0.513 505 G N 0.091 109.023 108.800 0.219 0.000 2.176 505 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.253 505 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.253 505 G C 0.348 175.313 174.900 0.109 0.000 0.979 505 G CA -0.145 44.988 45.100 0.055 0.000 0.641 505 G HN 0.422 nan 8.290 nan 0.000 0.530 506 R N -0.556 119.992 120.500 0.081 0.000 2.543 506 R HA 0.595 4.933 4.340 -0.003 0.000 0.268 506 R C -0.032 176.298 176.300 0.049 0.000 1.067 506 R CA -0.468 55.636 56.100 0.008 0.000 1.142 506 R CB 1.413 31.734 30.300 0.035 0.000 1.110 506 R HN 0.072 nan 8.270 nan 0.000 0.549 507 V N 2.796 122.704 119.914 -0.009 0.000 2.435 507 V HA 0.234 4.352 4.120 -0.003 0.000 0.290 507 V C -0.655 175.550 176.094 0.184 0.000 1.030 507 V CA -0.560 61.772 62.300 0.054 0.000 0.881 507 V CB 1.295 33.025 31.823 -0.155 0.000 0.983 507 V HN 0.528 nan 8.190 nan 0.000 0.445 508 F N 5.754 125.780 119.950 0.126 0.000 2.350 508 F HA 0.417 4.940 4.527 -0.006 0.000 0.365 508 F C 0.271 176.163 175.800 0.154 0.000 1.122 508 F CA -0.145 57.946 58.000 0.152 0.000 1.139 508 F CB 0.358 39.477 39.000 0.199 0.000 1.220 508 F HN 0.579 nan 8.300 nan 0.000 0.499 509 N N 4.533 123.151 118.700 -0.137 0.000 2.408 509 N HA 0.681 5.419 4.740 -0.003 0.000 0.280 509 N C -0.594 174.728 175.510 -0.312 0.000 1.002 509 N CA -0.250 52.771 53.050 -0.048 0.000 0.907 509 N CB 1.395 40.062 38.487 0.300 0.000 1.161 509 N HN 0.864 nan 8.380 nan 0.000 0.488 510 G N 0.933 109.561 108.800 -0.286 0.000 2.600 510 G HA2 0.656 4.614 3.960 -0.003 0.000 0.293 510 G HA3 0.656 4.614 3.960 -0.003 0.000 0.293 510 G C -0.377 174.423 174.900 -0.167 0.000 1.408 510 G CA -0.046 44.881 45.100 -0.287 0.000 0.782 510 G HN 0.878 nan 8.290 nan 0.000 0.482 511 G N -1.594 107.129 108.800 -0.128 0.000 2.660 511 G HA2 0.546 4.504 3.960 -0.003 0.000 0.215 511 G HA3 0.546 4.504 3.960 -0.003 0.000 0.215 511 G C 0.763 175.604 174.900 -0.097 0.000 1.345 511 G CA 1.025 46.062 45.100 -0.104 0.000 0.877 511 G HN 3.029 nan 8.290 nan 0.000 0.549 512 G N -2.077 106.684 108.800 -0.064 0.000 2.906 512 G HA2 0.561 4.519 3.960 -0.003 0.000 0.686 512 G HA3 0.561 4.519 3.960 -0.003 0.000 0.686 512 G C 0.930 175.895 174.900 0.108 0.000 1.170 512 G CA 0.658 45.757 45.100 -0.002 0.000 0.775 512 G HN 3.207 nan 8.290 nan 0.000 0.630 513 G N 0.265 109.171 108.800 0.176 0.000 2.659 513 G HA2 0.419 4.377 3.960 -0.003 0.000 0.214 513 G HA3 0.419 4.377 3.960 -0.003 0.000 0.214 513 G C 0.369 175.533 174.900 0.440 0.000 1.191 513 G CA 0.716 45.973 45.100 0.263 0.000 1.141 513 G HN 2.617 nan 8.290 nan 0.000 0.581 514 L N -1.094 120.240 121.223 0.185 0.000 3.385 514 L HA -0.131 4.207 4.340 -0.003 0.000 0.550 514 L C 0.980 177.953 176.870 0.172 0.000 1.326 514 L CA 1.633 56.564 54.840 0.153 0.000 0.932 514 L CB -1.406 40.766 42.059 0.188 0.000 1.684 514 L HN 2.136 nan 8.230 nan 0.000 0.848 515 C N -1.116 118.129 119.300 -0.092 0.000 2.994 515 C HA 0.804 5.262 4.460 -0.003 0.000 0.250 515 C C 2.045 176.881 174.990 -0.257 0.000 1.814 515 C CA -0.241 58.550 59.018 -0.379 0.000 1.730 515 C CB -0.530 26.795 27.740 -0.692 0.000 3.258 515 C HN 1.769 nan 8.230 nan 0.000 0.472 516 G N 2.462 111.152 108.800 -0.184 0.000 2.698 516 G HA2 -0.406 3.552 3.960 -0.003 0.000 0.337 516 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.337 516 G C 0.794 175.642 174.900 -0.087 0.000 1.196 516 G CA 1.361 46.377 45.100 -0.141 0.000 0.965 516 G HN 0.419 nan 8.290 nan 0.000 0.550 517 D N 1.510 121.853 120.400 -0.096 0.000 2.221 517 D HA -0.052 4.586 4.640 -0.003 0.000 0.204 517 D C 2.076 178.342 176.300 -0.056 0.000 0.982 517 D CA 1.359 55.320 54.000 -0.066 0.000 0.857 517 D CB -1.010 39.748 40.800 -0.069 0.000 0.934 517 D HN 0.926 nan 8.370 nan 0.000 0.475 518 C N 0.830 120.084 119.300 -0.077 0.000 2.746 518 C HA 0.171 4.629 4.460 -0.003 0.000 0.403 518 C C 2.051 177.011 174.990 -0.050 0.000 1.270 518 C CA 0.020 59.003 59.018 -0.059 0.000 1.978 518 C CB -0.151 27.550 27.740 -0.066 0.000 2.724 518 C HN 0.356 nan 8.230 nan 0.000 0.678 519 T N -2.727 111.795 114.554 -0.053 0.000 3.122 519 T HA 0.097 4.445 4.350 -0.003 0.000 0.250 519 T C 0.819 175.428 174.700 -0.151 0.000 1.067 519 T CA 0.578 62.624 62.100 -0.089 0.000 0.966 519 T CB -0.874 67.946 68.868 -0.081 0.000 1.002 519 T HN 1.027 nan 8.240 nan 0.000 0.542 520 T N -0.101 114.388 114.554 -0.108 0.000 3.273 520 T HA 0.270 4.618 4.350 -0.003 0.000 0.254 520 T C 0.227 174.795 174.700 -0.221 0.000 1.002 520 T CA -0.787 61.226 62.100 -0.144 0.000 0.913 520 T CB -0.401 68.486 68.868 0.031 0.000 1.056 520 T HN 0.153 nan 8.240 nan 0.000 0.576 521 N N 2.430 120.973 118.700 -0.262 0.000 2.524 521 N HA 0.216 4.954 4.740 -0.003 0.000 0.283 521 N C -0.645 174.574 175.510 -0.484 0.000 1.142 521 N CA -0.170 52.682 53.050 -0.330 0.000 0.984 521 N CB 0.560 38.806 38.487 -0.402 0.000 1.155 521 N HN 0.440 nan 8.380 nan 0.000 0.467 522 H N 1.705 120.601 119.070 -0.291 0.000 2.991 522 H HA 0.211 4.765 4.556 -0.003 0.000 0.304 522 H C -0.489 174.732 175.328 -0.177 0.000 1.040 522 H CA -0.336 55.634 56.048 -0.129 0.000 1.410 522 H CB 0.332 30.034 29.762 -0.100 0.000 1.529 522 H HN 0.401 nan 8.280 nan 0.000 0.509 523 F N 3.500 123.515 119.950 0.108 0.000 2.660 523 F HA 0.133 4.657 4.527 -0.005 0.000 0.342 523 F C 0.229 176.109 175.800 0.133 0.000 1.195 523 F CA -0.372 57.699 58.000 0.118 0.000 1.300 523 F CB -0.104 38.982 39.000 0.143 0.000 1.616 523 F HN 0.527 nan 8.300 nan 0.000 0.592 524 D N -0.193 120.315 120.400 0.180 0.000 2.809 524 D HA 0.689 5.327 4.640 -0.003 0.000 0.336 524 D C -1.464 174.801 176.300 -0.058 0.000 1.367 524 D CA -0.954 53.103 54.000 0.094 0.000 0.815 524 D CB 1.034 41.920 40.800 0.144 0.000 1.381 524 D HN 0.125 nan 8.370 nan 0.000 0.471 525 A N -0.705 122.019 122.820 -0.159 0.000 2.606 525 A HA 0.712 5.030 4.320 -0.003 0.000 0.293 525 A C -1.402 176.019 177.584 -0.271 0.000 1.082 525 A CA -0.741 51.069 52.037 -0.379 0.000 0.685 525 A CB 1.785 20.228 19.000 -0.929 0.000 1.284 525 A HN 0.464 nan 8.150 nan 0.000 0.408 526 Q N 0.336 120.041 119.800 -0.158 0.000 2.416 526 Q HA 0.626 4.964 4.340 -0.003 0.000 0.279 526 Q C -1.086 175.006 176.000 0.154 0.000 1.101 526 Q CA -0.935 54.918 55.803 0.084 0.000 0.830 526 Q CB 2.225 31.156 28.738 0.321 0.000 1.402 526 Q HN 0.603 nan 8.270 nan 0.000 0.445 527 I N 1.656 122.349 120.570 0.206 0.000 2.377 527 I HA 0.299 4.466 4.170 -0.003 0.000 0.293 527 I C -0.745 175.417 176.117 0.075 0.000 0.987 527 I CA -0.424 60.961 61.300 0.142 0.000 1.185 527 I CB 0.648 38.726 38.000 0.130 0.000 1.341 527 I HN 0.546 nan 8.210 nan 0.000 0.455 528 F N 5.575 125.276 119.950 -0.415 0.000 2.415 528 F HA 0.466 4.994 4.527 0.002 0.000 0.348 528 F C 0.020 175.490 175.800 -0.550 0.000 1.119 528 F CA -0.221 57.229 58.000 -0.916 0.000 1.069 528 F CB 1.280 39.323 39.000 -1.595 0.000 1.124 528 F HN 0.357 nan 8.300 nan 0.000 0.472 529 T N 8.270 122.228 114.554 -0.994 0.000 2.770 529 T HA 0.357 4.705 4.350 -0.003 0.000 0.297 529 T C -2.626 171.385 174.700 -1.148 0.000 0.997 529 T CA -1.358 60.296 62.100 -0.742 0.000 0.949 529 T CB 1.090 69.785 68.868 -0.288 0.000 0.941 529 T HN 0.318 nan 8.240 nan 0.000 0.457 530 P HA 0.186 nan 4.420 nan 0.000 0.272 530 P C 0.729 177.688 177.300 -0.569 0.000 1.230 530 P CA -0.417 62.091 63.100 -0.985 0.000 0.788 530 P CB 0.646 31.628 31.700 -1.196 0.000 0.949 531 N N 1.264 119.759 118.700 -0.341 0.000 2.443 531 N HA -0.211 4.527 4.740 -0.003 0.000 0.184 531 N C 1.360 176.875 175.510 0.008 0.000 1.037 531 N CA 0.893 53.909 53.050 -0.056 0.000 0.896 531 N CB -0.720 37.719 38.487 -0.079 0.000 0.959 531 N HN 0.442 nan 8.380 nan 0.000 0.442 532 Y N -0.778 119.478 120.300 -0.073 0.000 2.569 532 Y HA 0.093 4.638 4.550 -0.008 0.000 0.293 532 Y C 0.999 176.818 175.900 -0.135 0.000 1.144 532 Y CA 0.449 58.488 58.100 -0.101 0.000 1.321 532 Y CB -0.885 37.502 38.460 -0.121 0.000 0.982 532 Y HN 0.109 nan 8.280 nan 0.000 0.558 533 L N -1.106 120.143 121.223 0.044 0.000 2.640 533 L HA 0.220 4.558 4.340 -0.003 0.000 0.230 533 L C -0.697 175.913 176.870 -0.433 0.000 1.123 533 L CA -0.164 54.560 54.840 -0.192 0.000 0.900 533 L CB -0.066 41.791 42.059 -0.337 0.000 1.146 533 L HN -0.001 nan 8.230 nan 0.000 0.484 534 Y N 0.724 120.997 120.300 -0.045 0.000 2.377 534 Y HA 0.278 4.834 4.550 0.009 0.000 0.339 534 Y C 0.475 176.354 175.900 -0.034 0.000 1.011 534 Y CA -1.709 56.360 58.100 -0.052 0.000 1.093 534 Y CB 1.044 39.454 38.460 -0.083 0.000 1.201 534 Y HN 0.076 nan 8.280 nan 0.000 0.455 535 N N -1.018 117.759 118.700 0.128 0.000 2.364 535 N HA 0.132 4.870 4.740 -0.003 0.000 0.264 535 N C 0.710 176.261 175.510 0.068 0.000 1.263 535 N CA -0.093 52.997 53.050 0.068 0.000 0.959 535 N CB 0.318 38.828 38.487 0.038 0.000 1.204 535 N HN 0.457 nan 8.380 nan 0.000 0.550 536 S N -0.607 115.115 115.700 0.037 0.000 2.407 536 S HA -0.245 4.223 4.470 -0.003 0.000 0.235 536 S C 0.645 175.256 174.600 0.018 0.000 1.036 536 S CA 1.700 59.913 58.200 0.021 0.000 1.013 536 S CB -0.894 62.314 63.200 0.013 0.000 0.820 536 S HN 0.730 nan 8.310 nan 0.000 0.476 537 N N 0.680 119.396 118.700 0.026 0.000 2.322 537 N HA 0.376 5.114 4.740 -0.003 0.000 0.216 537 N C 0.984 176.509 175.510 0.025 0.000 1.144 537 N CA 0.275 53.338 53.050 0.021 0.000 0.830 537 N CB 0.342 38.843 38.487 0.023 0.000 1.034 537 N HN 0.477 nan 8.380 nan 0.000 0.484 538 G N 0.170 108.985 108.800 0.025 0.000 2.189 538 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.267 538 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.267 538 G C -0.047 174.924 174.900 0.118 0.000 0.975 538 G CA 0.031 45.127 45.100 -0.006 0.000 0.644 538 G HN 0.345 nan 8.290 nan 0.000 0.537 539 N N -0.328 118.460 118.700 0.147 0.000 2.482 539 N HA 0.526 5.264 4.740 -0.003 0.000 0.279 539 N C 0.515 176.141 175.510 0.193 0.000 1.182 539 N CA -0.695 52.452 53.050 0.161 0.000 0.969 539 N CB 0.787 39.321 38.487 0.078 0.000 1.201 539 N HN 0.152 nan 8.380 nan 0.000 0.523 540 L N 1.435 122.704 121.223 0.077 0.000 2.462 540 L HA 0.157 4.495 4.340 -0.003 0.000 0.272 540 L C 0.944 177.777 176.870 -0.061 0.000 1.166 540 L CA -0.358 54.419 54.840 -0.105 0.000 0.880 540 L CB 0.308 42.291 42.059 -0.128 0.000 1.142 540 L HN 0.552 nan 8.230 nan 0.000 0.473 541 A N 3.656 126.426 122.820 -0.083 0.000 2.406 541 A HA 0.266 4.584 4.320 -0.003 0.000 0.243 541 A C 0.384 177.939 177.584 -0.048 0.000 1.082 541 A CA -0.201 51.810 52.037 -0.042 0.000 0.786 541 A CB 0.173 19.150 19.000 -0.039 0.000 1.029 541 A HN 0.690 nan 8.150 nan 0.000 0.495 542 T N 2.061 116.598 114.554 -0.028 0.000 2.884 542 T HA 0.339 4.687 4.350 -0.003 0.000 0.298 542 T C 0.387 175.070 174.700 -0.028 0.000 0.998 542 T CA 0.272 62.358 62.100 -0.024 0.000 1.124 542 T CB 0.067 68.928 68.868 -0.012 0.000 0.931 542 T HN 0.590 nan 8.240 nan 0.000 0.531 543 R N 3.601 124.085 120.500 -0.027 0.000 2.428 543 R HA 0.428 4.765 4.340 -0.003 0.000 0.294 543 R C -2.376 173.914 176.300 -0.017 0.000 1.000 543 R CA -1.968 54.116 56.100 -0.027 0.000 0.960 543 R CB 0.548 30.833 30.300 -0.024 0.000 1.076 543 R HN 0.400 nan 8.270 nan 0.000 0.475 544 P HA 0.074 nan 4.420 nan 0.000 0.272 544 P C -1.104 176.194 177.300 -0.003 0.000 1.223 544 P CA -0.158 62.935 63.100 -0.011 0.000 0.784 544 P CB 0.686 32.371 31.700 -0.025 0.000 0.923 545 K N 1.738 122.141 120.400 0.006 0.000 2.259 545 K HA 0.554 4.872 4.320 -0.003 0.000 0.249 545 K C -0.304 176.308 176.600 0.019 0.000 0.942 545 K CA -0.855 55.438 56.287 0.009 0.000 0.816 545 K CB 1.747 34.253 32.500 0.009 0.000 1.155 545 K HN 0.361 nan 8.250 nan 0.000 0.428 546 I N 2.593 123.173 120.570 0.017 0.000 2.287 546 I HA 0.015 4.183 4.170 -0.003 0.000 0.290 546 I C 1.449 177.582 176.117 0.027 0.000 1.069 546 I CA -0.253 61.064 61.300 0.028 0.000 1.237 546 I CB 0.985 38.998 38.000 0.023 0.000 1.418 546 I HN 0.808 nan 8.210 nan 0.000 0.481 547 T N 2.650 117.225 114.554 0.036 0.000 3.054 547 T HA 0.129 4.477 4.350 -0.003 0.000 0.259 547 T C 0.892 175.607 174.700 0.025 0.000 1.092 547 T CA 0.309 62.425 62.100 0.027 0.000 1.121 547 T CB 0.308 69.192 68.868 0.028 0.000 0.912 547 T HN 0.524 nan 8.240 nan 0.000 0.489 548 R N 0.909 121.429 120.500 0.032 0.000 2.629 548 R HA 0.418 4.756 4.340 -0.003 0.000 0.266 548 R C -1.732 174.585 176.300 0.029 0.000 1.051 548 R CA -0.340 55.774 56.100 0.024 0.000 0.895 548 R CB 1.998 32.307 30.300 0.017 0.000 1.246 548 R HN 0.353 nan 8.270 nan 0.000 0.459 549 T N -0.547 114.017 114.554 0.018 0.000 2.841 549 T HA 0.156 4.504 4.350 -0.003 0.000 0.285 549 T C 1.161 175.856 174.700 -0.009 0.000 0.991 549 T CA -0.332 61.775 62.100 0.012 0.000 0.966 549 T CB 1.727 70.610 68.868 0.025 0.000 0.962 549 T HN 0.599 nan 8.240 nan 0.000 0.438 550 S N 2.259 117.940 115.700 -0.032 0.000 2.420 550 S HA 0.024 4.492 4.470 -0.003 0.000 0.237 550 S C 0.938 175.515 174.600 -0.038 0.000 1.023 550 S CA 1.219 59.392 58.200 -0.045 0.000 0.991 550 S CB -0.539 62.615 63.200 -0.076 0.000 0.792 550 S HN 1.244 nan 8.310 nan 0.000 0.488 551 T N -1.480 113.055 114.554 -0.032 0.000 2.717 551 T HA 0.288 4.635 4.350 -0.003 0.000 0.315 551 T C -1.440 173.258 174.700 -0.003 0.000 1.746 551 T CA -0.651 61.437 62.100 -0.020 0.000 1.001 551 T CB 0.956 69.803 68.868 -0.036 0.000 1.673 551 T HN 0.102 nan 8.240 nan 0.000 0.498 552 Q N 0.556 120.363 119.800 0.012 0.000 2.164 552 Q HA 0.287 4.625 4.340 -0.003 0.000 0.226 552 Q C -0.240 175.784 176.000 0.039 0.000 0.813 552 Q CA -0.155 55.672 55.803 0.040 0.000 0.978 552 Q CB 1.357 30.129 28.738 0.056 0.000 1.149 552 Q HN 0.459 nan 8.270 nan 0.000 0.489 553 S N 0.564 116.269 115.700 0.008 0.000 2.707 553 S HA 0.560 5.028 4.470 -0.003 0.000 0.303 553 S C -1.318 173.265 174.600 -0.028 0.000 1.132 553 S CA -0.507 57.686 58.200 -0.012 0.000 1.046 553 S CB 1.657 64.846 63.200 -0.018 0.000 1.004 553 S HN 0.043 nan 8.310 nan 0.000 0.483 554 V N 5.231 125.122 119.914 -0.037 0.000 2.876 554 V HA 0.601 4.719 4.120 -0.003 0.000 0.312 554 V C -0.786 175.275 176.094 -0.056 0.000 1.085 554 V CA -0.823 61.446 62.300 -0.051 0.000 0.945 554 V CB 2.201 33.990 31.823 -0.056 0.000 1.017 554 V HN 0.956 nan 8.190 nan 0.000 0.428 555 K N 2.641 123.009 120.400 -0.054 0.000 2.098 555 K HA 0.531 4.849 4.320 -0.003 0.000 0.257 555 K C -0.517 176.046 176.600 -0.060 0.000 0.999 555 K CA -0.497 55.761 56.287 -0.050 0.000 0.924 555 K CB 1.721 34.195 32.500 -0.043 0.000 1.028 555 K HN 0.687 nan 8.250 nan 0.000 0.466 556 V N -0.319 119.561 119.914 -0.057 0.000 2.763 556 V HA 0.195 4.313 4.120 -0.003 0.000 0.306 556 V C 1.193 177.252 176.094 -0.059 0.000 1.059 556 V CA 0.564 62.824 62.300 -0.068 0.000 1.138 556 V CB -0.003 31.786 31.823 -0.057 0.000 0.940 556 V HN 1.104 nan 8.190 nan 0.000 0.489 557 G N 2.384 111.148 108.800 -0.059 0.000 2.284 557 G HA2 -0.138 3.820 3.960 -0.003 0.000 0.247 557 G HA3 -0.138 3.820 3.960 -0.003 0.000 0.247 557 G C 0.757 175.626 174.900 -0.051 0.000 1.012 557 G CA 0.236 45.306 45.100 -0.049 0.000 0.618 557 G HN 1.819 nan 8.290 nan 0.000 0.521 558 G N -0.121 108.643 108.800 -0.060 0.000 2.664 558 G HA2 0.500 4.458 3.960 -0.003 0.000 0.242 558 G HA3 0.500 4.458 3.960 -0.003 0.000 0.242 558 G C 0.092 174.935 174.900 -0.095 0.000 1.225 558 G CA -0.026 45.031 45.100 -0.072 0.000 0.849 558 G HN 0.610 nan 8.290 nan 0.000 0.581 559 R N -0.715 119.708 120.500 -0.128 0.000 2.711 559 R HA 0.578 4.916 4.340 -0.003 0.000 0.284 559 R C -0.671 175.459 176.300 -0.282 0.000 0.968 559 R CA -0.647 55.328 56.100 -0.209 0.000 0.924 559 R CB 2.083 32.284 30.300 -0.166 0.000 1.162 559 R HN 0.398 nan 8.270 nan 0.000 0.465 560 I N 0.869 121.125 120.570 -0.524 0.000 2.545 560 I HA 0.355 4.523 4.170 -0.003 0.000 0.292 560 I C -0.491 175.274 176.117 -0.586 0.000 1.040 560 I CA -0.740 60.222 61.300 -0.564 0.000 1.068 560 I CB 2.614 40.214 38.000 -0.666 0.000 1.251 560 I HN 0.462 nan 8.210 nan 0.000 0.424 561 T N 6.483 120.865 114.554 -0.286 0.000 2.807 561 T HA 0.721 5.069 4.350 -0.003 0.000 0.279 561 T C -0.326 174.342 174.700 -0.052 0.000 0.993 561 T CA -0.459 61.553 62.100 -0.147 0.000 0.970 561 T CB 1.532 70.344 68.868 -0.093 0.000 0.950 561 T HN 0.519 nan 8.240 nan 0.000 0.441 562 I N -0.675 119.924 120.570 0.047 0.000 2.934 562 I HA 0.864 5.032 4.170 -0.003 0.000 0.306 562 I C -0.630 175.566 176.117 0.132 0.000 1.110 562 I CA -1.113 60.245 61.300 0.097 0.000 1.019 562 I CB 2.575 40.672 38.000 0.162 0.000 1.227 562 I HN 0.536 nan 8.210 nan 0.000 0.434 563 S N 1.493 117.254 115.700 0.103 0.000 2.532 563 S HA 0.804 5.271 4.470 -0.003 0.000 0.301 563 S C -0.185 174.491 174.600 0.126 0.000 1.083 563 S CA -0.588 57.677 58.200 0.110 0.000 1.025 563 S CB 1.755 64.984 63.200 0.049 0.000 1.056 563 S HN 0.905 nan 8.310 nan 0.000 0.494 564 T N -2.158 112.493 114.554 0.163 0.000 2.910 564 T HA 0.534 4.882 4.350 -0.003 0.000 0.287 564 T C 0.020 174.776 174.700 0.093 0.000 1.050 564 T CA -0.571 61.603 62.100 0.124 0.000 1.011 564 T CB 1.383 70.334 68.868 0.138 0.000 1.195 564 T HN 0.575 nan 8.240 nan 0.000 0.540 565 D N -0.520 119.919 120.400 0.065 0.000 2.367 565 D HA 0.140 4.778 4.640 -0.003 0.000 0.207 565 D C 0.562 176.892 176.300 0.050 0.000 1.034 565 D CA 0.046 54.073 54.000 0.045 0.000 0.861 565 D CB -0.043 40.773 40.800 0.028 0.000 0.943 565 D HN 0.680 nan 8.370 nan 0.000 0.515 566 S N -0.895 114.844 115.700 0.066 0.000 2.596 566 S HA 0.492 4.960 4.470 -0.003 0.000 0.270 566 S C -0.494 174.166 174.600 0.101 0.000 1.155 566 S CA -0.678 57.560 58.200 0.063 0.000 0.827 566 S CB 1.313 64.533 63.200 0.033 0.000 1.130 566 S HN 0.202 nan 8.310 nan 0.000 0.467 567 S N 1.114 116.876 115.700 0.104 0.000 2.531 567 S HA 0.530 4.998 4.470 -0.003 0.000 0.279 567 S C 0.210 174.832 174.600 0.037 0.000 1.305 567 S CA -0.775 57.518 58.200 0.154 0.000 1.058 567 S CB -0.636 62.649 63.200 0.141 0.000 0.899 567 S HN 1.208 nan 8.310 nan 0.000 0.493 568 I N 0.719 121.257 120.570 -0.054 0.000 2.433 568 I HA 0.546 4.714 4.170 -0.003 0.000 0.292 568 I C 0.736 176.743 176.117 -0.184 0.000 1.001 568 I CA -0.769 60.411 61.300 -0.200 0.000 1.119 568 I CB 2.161 39.939 38.000 -0.371 0.000 1.289 568 I HN 0.731 nan 8.210 nan 0.000 0.438 569 S N 4.876 120.507 115.700 -0.115 0.000 2.404 569 S HA 0.244 4.712 4.470 -0.003 0.000 0.223 569 S C 0.616 175.160 174.600 -0.094 0.000 1.040 569 S CA 0.206 58.361 58.200 -0.073 0.000 0.957 569 S CB -0.076 63.094 63.200 -0.050 0.000 0.826 569 S HN 0.801 nan 8.310 nan 0.000 0.491 570 K N -0.066 120.261 120.400 -0.122 0.000 2.495 570 K HA 0.812 5.130 4.320 -0.003 0.000 0.268 570 K C -1.605 174.910 176.600 -0.141 0.000 1.008 570 K CA -0.807 55.412 56.287 -0.115 0.000 0.882 570 K CB 2.182 34.631 32.500 -0.085 0.000 1.443 570 K HN 0.235 nan 8.250 nan 0.000 0.447 571 A N 0.563 123.300 122.820 -0.139 0.000 2.574 571 A HA 0.742 5.060 4.320 -0.003 0.000 0.297 571 A C -1.328 176.162 177.584 -0.156 0.000 1.062 571 A CA -0.628 51.308 52.037 -0.168 0.000 0.686 571 A CB 1.746 20.591 19.000 -0.258 0.000 1.285 571 A HN 0.747 nan 8.150 nan 0.000 0.403 572 S N 0.668 116.304 115.700 -0.106 0.000 2.550 572 S HA 0.795 5.263 4.470 -0.003 0.000 0.270 572 S C -1.371 173.241 174.600 0.019 0.000 1.145 572 S CA -0.679 57.497 58.200 -0.040 0.000 0.852 572 S CB 1.154 64.373 63.200 0.031 0.000 1.119 572 S HN 0.835 nan 8.310 nan 0.000 0.465 573 L N 1.988 123.248 121.223 0.061 0.000 2.341 573 L HA 0.625 4.963 4.340 -0.003 0.000 0.278 573 L C -1.096 176.046 176.870 0.455 0.000 1.005 573 L CA -0.821 54.135 54.840 0.193 0.000 0.818 573 L CB 1.564 43.645 42.059 0.037 0.000 1.259 573 L HN 0.681 nan 8.230 nan 0.000 0.418 574 I N 3.740 124.572 120.570 0.438 0.000 2.410 574 I HA 0.370 4.538 4.170 -0.003 0.000 0.286 574 I C 0.042 176.163 176.117 0.008 0.000 1.009 574 I CA -0.615 60.848 61.300 0.272 0.000 1.111 574 I CB 1.925 40.078 38.000 0.256 0.000 1.262 574 I HN 0.580 nan 8.210 nan 0.000 0.443 575 R N 4.806 125.031 120.500 -0.458 0.000 2.543 575 R HA 0.192 4.530 4.340 -0.003 0.000 0.277 575 R C -0.927 175.160 176.300 -0.354 0.000 1.074 575 R CA -0.203 55.327 56.100 -0.950 0.000 1.076 575 R CB 0.515 29.921 30.300 -1.489 0.000 0.993 575 R HN 0.355 nan 8.270 nan 0.000 0.459 576 Y N 1.558 121.736 120.300 -0.203 0.000 2.717 576 Y HA 0.068 4.614 4.550 -0.007 0.000 0.330 576 Y C 1.246 177.118 175.900 -0.047 0.000 1.217 576 Y CA 1.309 59.377 58.100 -0.054 0.000 1.506 576 Y CB 0.624 39.082 38.460 -0.004 0.000 1.268 576 Y HN 0.698 nan 8.280 nan 0.000 0.561 577 G N 1.326 110.214 108.800 0.146 0.000 2.488 577 G HA2 0.602 4.560 3.960 -0.003 0.000 0.318 577 G HA3 0.602 4.560 3.960 -0.003 0.000 0.318 577 G C -0.836 174.119 174.900 0.092 0.000 1.188 577 G CA -0.638 44.517 45.100 0.092 0.000 0.944 577 G HN 0.628 nan 8.290 nan 0.000 0.495 578 T N -2.908 111.683 114.554 0.062 0.000 2.916 578 T HA 0.765 5.113 4.350 -0.003 0.000 0.298 578 T C -0.601 174.099 174.700 -0.000 0.000 1.031 578 T CA -0.298 61.832 62.100 0.050 0.000 0.993 578 T CB 1.847 70.775 68.868 0.099 0.000 1.045 578 T HN 1.634 nan 8.240 nan 0.000 0.454 579 A N 1.734 124.518 122.820 -0.059 0.000 2.515 579 A HA 0.957 5.275 4.320 -0.003 0.000 0.298 579 A C -0.296 177.177 177.584 -0.185 0.000 1.059 579 A CA -0.880 51.096 52.037 -0.101 0.000 0.698 579 A CB 2.004 20.960 19.000 -0.073 0.000 1.289 579 A HN 1.408 nan 8.150 nan 0.000 0.404 580 T N 0.038 114.483 114.554 -0.182 0.000 3.343 580 T HA 0.460 4.808 4.350 -0.003 0.000 0.383 580 T C -0.732 173.849 174.700 -0.199 0.000 1.615 580 T CA -0.052 61.922 62.100 -0.210 0.000 1.153 580 T CB 0.083 68.855 68.868 -0.161 0.000 1.434 580 T HN 1.625 nan 8.240 nan 0.000 0.476 581 H N 2.354 121.141 119.070 -0.472 0.000 2.820 581 H HA -0.226 4.328 4.556 -0.003 0.000 0.295 581 H C 1.339 176.287 175.328 -0.635 0.000 1.187 581 H CA 2.634 58.290 56.048 -0.652 0.000 1.144 581 H CB -1.843 27.397 29.762 -0.870 0.000 1.354 581 H HN 1.539 nan 8.280 nan 0.000 0.395 582 T N -6.041 108.289 114.554 -0.374 0.000 7.058 582 T HA -0.272 4.076 4.350 -0.003 0.000 0.289 582 T C 0.353 174.882 174.700 -0.285 0.000 2.142 582 T CA 0.841 62.744 62.100 -0.327 0.000 3.531 582 T CB -2.067 66.607 68.868 -0.324 0.000 1.423 582 T HN 0.505 nan 8.240 nan 0.000 1.040 583 V N 2.859 122.631 119.914 -0.238 0.000 2.455 583 V HA 0.664 4.781 4.120 -0.003 0.000 0.273 583 V C 0.452 176.470 176.094 -0.126 0.000 1.045 583 V CA -0.026 62.179 62.300 -0.157 0.000 0.976 583 V CB 1.263 33.035 31.823 -0.085 0.000 0.993 583 V HN 0.649 nan 8.190 nan 0.000 0.475 584 N N 3.212 121.839 118.700 -0.122 0.000 2.640 584 N HA 0.151 4.889 4.740 -0.003 0.000 0.262 584 N C 0.585 176.046 175.510 -0.082 0.000 1.174 584 N CA 0.061 53.070 53.050 -0.069 0.000 0.791 584 N CB 1.862 40.327 38.487 -0.037 0.000 1.279 584 N HN 0.707 nan 8.380 nan 0.000 0.535 585 T N -1.526 112.985 114.554 -0.073 0.000 3.107 585 T HA 0.137 4.485 4.350 -0.003 0.000 0.249 585 T C 0.540 175.241 174.700 0.000 0.000 1.096 585 T CA 0.418 62.459 62.100 -0.097 0.000 1.012 585 T CB 0.301 69.121 68.868 -0.080 0.000 0.977 585 T HN 0.174 nan 8.240 nan 0.000 0.527 586 D N 1.796 122.208 120.400 0.020 0.000 2.259 586 D HA 0.020 4.658 4.640 -0.003 0.000 0.216 586 D C 1.264 177.553 176.300 -0.019 0.000 0.961 586 D CA 0.451 54.464 54.000 0.022 0.000 0.878 586 D CB -0.090 40.735 40.800 0.042 0.000 1.009 586 D HN 0.734 nan 8.370 nan 0.000 0.490 587 Q N 1.532 121.337 119.800 0.007 0.000 2.373 587 Q HA 0.332 4.669 4.340 -0.003 0.000 0.255 587 Q C -0.106 175.931 176.000 0.061 0.000 0.980 587 Q CA -0.261 55.542 55.803 0.000 0.000 0.882 587 Q CB 0.954 29.721 28.738 0.049 0.000 1.249 587 Q HN 0.061 nan 8.270 nan 0.000 0.438 588 R N 0.130 120.647 120.500 0.028 0.000 2.739 588 R HA 0.462 4.800 4.340 -0.003 0.000 0.266 588 R C -1.866 174.538 176.300 0.174 0.000 1.044 588 R CA -1.063 55.115 56.100 0.130 0.000 0.885 588 R CB 1.218 31.636 30.300 0.196 0.000 1.260 588 R HN 0.801 nan 8.270 nan 0.000 0.477 589 R N 2.221 122.863 120.500 0.236 0.000 2.670 589 R HA 0.614 4.952 4.340 -0.003 0.000 0.289 589 R C -1.184 175.282 176.300 0.276 0.000 0.965 589 R CA -0.758 55.506 56.100 0.274 0.000 0.899 589 R CB 1.720 32.140 30.300 0.201 0.000 1.173 589 R HN 0.709 nan 8.270 nan 0.000 0.456 590 I N 5.194 125.930 120.570 0.277 0.000 2.418 590 I HA 0.370 4.538 4.170 -0.003 0.000 0.287 590 I C -2.269 173.873 176.117 0.042 0.000 1.008 590 I CA -2.663 58.714 61.300 0.128 0.000 1.104 590 I CB 2.566 40.575 38.000 0.015 0.000 1.264 590 I HN 0.482 nan 8.210 nan 0.000 0.438 591 P HA 0.314 nan 4.420 nan 0.000 0.287 591 P C -0.977 176.286 177.300 -0.061 0.000 1.281 591 P CA -0.254 62.840 63.100 -0.011 0.000 0.781 591 P CB 0.623 32.333 31.700 0.017 0.000 0.903 592 L N 2.887 124.035 121.223 -0.124 0.000 2.325 592 L HA 0.481 4.819 4.340 -0.003 0.000 0.279 592 L C 0.659 177.477 176.870 -0.085 0.000 1.054 592 L CA -0.469 54.266 54.840 -0.176 0.000 0.804 592 L CB 1.125 42.913 42.059 -0.451 0.000 1.200 592 L HN 0.340 nan 8.230 nan 0.000 0.436 593 T N 1.188 115.731 114.554 -0.019 0.000 2.753 593 T HA 0.518 4.866 4.350 -0.003 0.000 0.297 593 T C -0.198 174.561 174.700 0.098 0.000 0.981 593 T CA -0.696 61.423 62.100 0.031 0.000 0.956 593 T CB 0.678 69.565 68.868 0.032 0.000 0.936 593 T HN 0.267 nan 8.240 nan 0.000 0.463 594 L N 3.193 124.471 121.223 0.091 0.000 2.312 594 L HA 0.408 4.746 4.340 -0.003 0.000 0.281 594 L C 0.427 177.402 176.870 0.175 0.000 1.070 594 L CA -0.571 54.371 54.840 0.169 0.000 0.805 594 L CB 1.471 43.601 42.059 0.118 0.000 1.174 594 L HN 0.716 nan 8.230 nan 0.000 0.434 595 T N 2.374 117.048 114.554 0.201 0.000 2.758 595 T HA 0.173 4.521 4.350 -0.003 0.000 0.285 595 T C 0.007 174.793 174.700 0.142 0.000 0.981 595 T CA -0.479 61.700 62.100 0.132 0.000 0.965 595 T CB 0.762 69.674 68.868 0.074 0.000 0.927 595 T HN 0.391 nan 8.240 nan 0.000 0.448 596 N N 2.734 121.490 118.700 0.092 0.000 2.422 596 N HA 0.158 4.896 4.740 -0.003 0.000 0.264 596 N C 0.414 175.853 175.510 -0.119 0.000 1.063 596 N CA -0.202 52.823 53.050 -0.043 0.000 0.959 596 N CB 0.426 38.927 38.487 0.022 0.000 1.087 596 N HN 0.525 nan 8.380 nan 0.000 0.483 597 N N 1.964 120.534 118.700 -0.217 0.000 2.270 597 N HA 0.212 4.950 4.740 -0.003 0.000 0.198 597 N C 0.213 175.620 175.510 -0.170 0.000 1.117 597 N CA 0.054 53.011 53.050 -0.155 0.000 0.845 597 N CB 0.290 38.698 38.487 -0.133 0.000 0.980 597 N HN 0.740 nan 8.380 nan 0.000 0.486 598 G N 0.101 108.768 108.800 -0.221 0.000 2.785 598 G HA2 0.030 3.988 3.960 -0.003 0.000 0.685 598 G HA3 0.030 3.988 3.960 -0.003 0.000 0.685 598 G C 0.613 175.406 174.900 -0.178 0.000 1.480 598 G CA -0.531 44.470 45.100 -0.165 0.000 0.915 598 G HN 0.538 nan 8.290 nan 0.000 0.576 599 G N -0.120 108.604 108.800 -0.127 0.000 2.198 599 G HA2 -0.112 3.846 3.960 -0.003 0.000 0.260 599 G HA3 -0.112 3.846 3.960 -0.003 0.000 0.260 599 G C 0.547 175.384 174.900 -0.105 0.000 1.025 599 G CA 1.098 46.142 45.100 -0.094 0.000 0.769 599 G HN 2.391 nan 8.290 nan 0.000 0.507 600 N N -1.626 116.971 118.700 -0.172 0.000 2.756 600 N HA -0.170 4.568 4.740 -0.003 0.000 0.248 600 N C -0.074 175.325 175.510 -0.186 0.000 1.062 600 N CA 0.808 53.796 53.050 -0.103 0.000 0.696 600 N CB -0.936 37.603 38.487 0.087 0.000 0.946 600 N HN 0.804 nan 8.380 nan 0.000 0.548 601 S N 0.428 115.799 115.700 -0.548 0.000 2.532 601 S HA 0.758 5.226 4.470 -0.003 0.000 0.299 601 S C -1.357 172.894 174.600 -0.582 0.000 1.105 601 S CA -0.495 57.517 58.200 -0.314 0.000 1.018 601 S CB 0.888 63.985 63.200 -0.172 0.000 1.021 601 S HN 0.284 nan 8.310 nan 0.000 0.483 602 Y N 0.889 121.205 120.300 0.026 0.000 2.588 602 Y HA 0.695 5.242 4.550 -0.004 0.000 0.343 602 Y C 0.165 176.085 175.900 0.033 0.000 1.065 602 Y CA -0.933 57.197 58.100 0.050 0.000 1.038 602 Y CB 1.999 40.514 38.460 0.092 0.000 1.297 602 Y HN 0.532 nan 8.280 nan 0.000 0.467 603 S N 1.552 117.372 115.700 0.199 0.000 2.564 603 S HA 0.860 5.327 4.470 -0.003 0.000 0.274 603 S C -1.703 172.963 174.600 0.109 0.000 1.124 603 S CA -0.784 57.419 58.200 0.006 0.000 0.869 603 S CB 1.739 64.912 63.200 -0.045 0.000 1.105 603 S HN 0.551 nan 8.310 nan 0.000 0.472 604 F N -0.393 119.568 119.950 0.018 0.000 2.693 604 F HA 0.647 5.171 4.527 -0.006 0.000 0.309 604 F C -1.048 174.738 175.800 -0.023 0.000 1.129 604 F CA -0.949 57.051 58.000 0.000 0.000 0.948 604 F CB 1.193 40.192 39.000 -0.002 0.000 1.315 604 F HN 0.458 nan 8.300 nan 0.000 0.447 605 Q N 1.643 121.566 119.800 0.205 0.000 2.274 605 Q HA 0.663 5.001 4.340 -0.003 0.000 0.260 605 Q C -1.339 174.776 176.000 0.190 0.000 0.974 605 Q CA -1.121 54.735 55.803 0.088 0.000 0.876 605 Q CB 2.526 31.284 28.738 0.033 0.000 1.297 605 Q HN 0.749 nan 8.270 nan 0.000 0.446 606 V N 5.366 125.340 119.914 0.100 0.000 2.488 606 V HA 0.188 4.306 4.120 -0.003 0.000 0.277 606 V C -2.101 173.966 176.094 -0.045 0.000 1.046 606 V CA -1.430 60.879 62.300 0.014 0.000 0.986 606 V CB 0.744 32.531 31.823 -0.060 0.000 0.989 606 V HN 0.780 nan 8.190 nan 0.000 0.475 607 P HA -0.055 nan 4.420 nan 0.000 0.266 607 P C 0.820 178.075 177.300 -0.076 0.000 1.180 607 P CA 0.517 63.575 63.100 -0.071 0.000 0.765 607 P CB 0.430 32.081 31.700 -0.081 0.000 0.806 608 S N 0.055 115.715 115.700 -0.065 0.000 2.470 608 S HA -0.034 4.434 4.470 -0.003 0.000 0.225 608 S C 0.713 175.269 174.600 -0.073 0.000 1.006 608 S CA 0.377 58.539 58.200 -0.063 0.000 0.934 608 S CB -0.302 62.866 63.200 -0.053 0.000 0.778 608 S HN 0.415 nan 8.310 nan 0.000 0.517 609 D N 2.485 122.828 120.400 -0.094 0.000 2.316 609 D HA 0.263 4.900 4.640 -0.003 0.000 0.245 609 D C 1.057 177.298 176.300 -0.098 0.000 1.171 609 D CA 0.124 54.052 54.000 -0.120 0.000 0.856 609 D CB 1.684 42.373 40.800 -0.185 0.000 1.090 609 D HN 0.320 nan 8.370 nan 0.000 0.476 610 S N 1.770 117.432 115.700 -0.063 0.000 2.555 610 S HA -0.013 4.454 4.470 -0.003 0.000 0.230 610 S C 1.728 176.341 174.600 0.022 0.000 0.978 610 S CA 0.487 58.682 58.200 -0.008 0.000 0.934 610 S CB 0.147 63.351 63.200 0.006 0.000 0.766 610 S HN 0.464 nan 8.310 nan 0.000 0.533 611 G N 0.556 109.324 108.800 -0.053 0.000 2.683 611 G HA2 0.160 4.118 3.960 -0.003 0.000 0.213 611 G HA3 0.160 4.118 3.960 -0.003 0.000 0.213 611 G C 1.147 176.007 174.900 -0.066 0.000 1.142 611 G CA 0.563 45.627 45.100 -0.060 0.000 0.793 611 G HN 0.460 nan 8.290 nan 0.000 0.534 612 V N 0.598 120.443 119.914 -0.115 0.000 2.490 612 V HA 0.348 4.466 4.120 -0.003 0.000 0.238 612 V C 1.918 178.119 176.094 0.179 0.000 1.056 612 V CA 1.250 63.546 62.300 -0.006 0.000 1.075 612 V CB 0.045 31.794 31.823 -0.124 0.000 0.746 612 V HN 0.290 nan 8.190 nan 0.000 0.479 613 A N 1.117 123.985 122.820 0.079 0.000 3.094 613 A HA 0.476 4.794 4.320 -0.003 0.000 0.288 613 A C 0.068 177.796 177.584 0.241 0.000 1.519 613 A CA -0.230 51.829 52.037 0.036 0.000 1.227 613 A CB -0.896 17.966 19.000 -0.229 0.000 1.175 613 A HN 0.469 nan 8.150 nan 0.000 0.568 614 L N 2.996 124.514 121.223 0.492 0.000 2.540 614 L HA 0.116 4.454 4.340 -0.003 0.000 0.276 614 L C -1.610 175.546 176.870 0.476 0.000 1.212 614 L CA -1.155 53.926 54.840 0.401 0.000 0.893 614 L CB 0.465 42.739 42.059 0.359 0.000 1.138 614 L HN 0.411 nan 8.230 nan 0.000 0.491 615 P HA 0.198 nan 4.420 nan 0.000 0.268 615 P C 0.164 177.619 177.300 0.258 0.000 1.208 615 P CA 0.262 63.509 63.100 0.245 0.000 0.777 615 P CB 1.170 32.943 31.700 0.121 0.000 0.875 616 G N 0.810 109.736 108.800 0.211 0.000 2.302 616 G HA2 0.025 3.983 3.960 -0.003 0.000 0.276 616 G HA3 0.025 3.983 3.960 -0.003 0.000 0.276 616 G C -1.792 173.176 174.900 0.114 0.000 1.316 616 G CA -0.867 44.307 45.100 0.124 0.000 0.988 616 G HN 0.331 nan 8.290 nan 0.000 0.479 617 Y N -0.605 119.830 120.300 0.226 0.000 2.301 617 Y HA 0.661 5.209 4.550 -0.003 0.000 0.325 617 Y C 0.189 176.343 175.900 0.423 0.000 1.203 617 Y CA 0.328 58.631 58.100 0.339 0.000 1.255 617 Y CB 1.340 39.900 38.460 0.166 0.000 1.232 617 Y HN 0.610 nan 8.280 nan 0.000 0.501 618 W N 2.091 123.662 121.300 0.450 0.000 3.031 618 W HA 0.649 5.305 4.660 -0.006 0.000 0.337 618 W C -1.137 175.382 176.519 -0.001 0.000 1.187 618 W CA -0.970 56.480 57.345 0.176 0.000 1.166 618 W CB 1.421 30.943 29.460 0.103 0.000 1.437 618 W HN 0.212 nan 8.180 nan 0.000 0.551 619 M N 2.688 122.243 119.600 -0.075 0.000 2.336 619 M HA 0.404 4.882 4.480 -0.003 0.000 0.342 619 M C -0.887 175.278 176.300 -0.225 0.000 1.128 619 M CA -1.114 53.992 55.300 -0.322 0.000 1.016 619 M CB 1.272 33.496 32.600 -0.627 0.000 1.665 619 M HN 0.247 nan 8.290 nan 0.000 0.445 620 L N 4.247 125.305 121.223 -0.276 0.000 2.264 620 L HA 0.621 4.959 4.340 -0.003 0.000 0.289 620 L C -1.838 174.807 176.870 -0.376 0.000 1.044 620 L CA 0.299 55.021 54.840 -0.196 0.000 0.807 620 L CB 0.259 42.291 42.059 -0.045 0.000 1.192 620 L HN 0.446 nan 8.230 nan 0.000 0.425 621 F N 4.295 124.198 119.950 -0.077 0.000 2.522 621 F HA 0.710 5.230 4.527 -0.012 0.000 0.324 621 F C -0.102 175.618 175.800 -0.134 0.000 1.077 621 F CA -0.663 57.276 58.000 -0.101 0.000 0.944 621 F CB 2.256 41.180 39.000 -0.127 0.000 1.175 621 F HN 0.394 nan 8.300 nan 0.000 0.468 622 V N 0.817 120.768 119.914 0.061 0.000 2.604 622 V HA 0.761 4.879 4.120 -0.003 0.000 0.305 622 V C -0.659 175.395 176.094 -0.066 0.000 1.043 622 V CA -0.875 61.396 62.300 -0.048 0.000 0.888 622 V CB 1.732 33.501 31.823 -0.091 0.000 0.995 622 V HN 0.775 nan 8.190 nan 0.000 0.429 623 M N 4.466 124.000 119.600 -0.109 0.000 2.456 623 M HA 0.523 5.001 4.480 -0.003 0.000 0.324 623 M C 0.028 176.263 176.300 -0.107 0.000 1.124 623 M CA -0.419 54.808 55.300 -0.122 0.000 0.959 623 M CB 2.028 34.541 32.600 -0.145 0.000 1.692 623 M HN 1.009 nan 8.290 nan 0.000 0.444 624 N N 0.283 118.932 118.700 -0.085 0.000 2.381 624 N HA 0.206 4.944 4.740 -0.003 0.000 0.289 624 N C 0.720 176.198 175.510 -0.053 0.000 1.288 624 N CA -0.075 52.938 53.050 -0.061 0.000 0.960 624 N CB -0.128 38.335 38.487 -0.040 0.000 1.116 624 N HN 0.645 nan 8.380 nan 0.000 0.557 625 S N -2.486 113.195 115.700 -0.032 0.000 2.461 625 S HA 0.067 4.535 4.470 -0.003 0.000 0.228 625 S C 1.744 176.329 174.600 -0.025 0.000 1.005 625 S CA 0.445 58.630 58.200 -0.025 0.000 0.942 625 S CB -0.868 62.326 63.200 -0.010 0.000 0.776 625 S HN 0.743 nan 8.310 nan 0.000 0.514 626 A N 1.183 123.988 122.820 -0.025 0.000 2.014 626 A HA 0.462 4.780 4.320 -0.003 0.000 0.218 626 A C 1.954 179.521 177.584 -0.027 0.000 1.163 626 A CA 1.074 53.099 52.037 -0.020 0.000 0.652 626 A CB -1.217 17.774 19.000 -0.015 0.000 0.808 626 A HN 1.601 nan 8.150 nan 0.000 0.449 627 G N -2.355 106.417 108.800 -0.047 0.000 2.163 627 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.213 627 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.213 627 G C 0.078 174.915 174.900 -0.105 0.000 0.991 627 G CA -0.004 45.057 45.100 -0.066 0.000 0.653 627 G HN 0.823 nan 8.290 nan 0.000 0.518 628 V N 3.312 123.172 119.914 -0.090 0.000 2.432 628 V HA 0.460 4.578 4.120 -0.003 0.000 0.271 628 V C -1.199 174.798 176.094 -0.162 0.000 1.046 628 V CA -1.149 61.084 62.300 -0.112 0.000 0.945 628 V CB 1.338 33.124 31.823 -0.061 0.000 0.992 628 V HN 0.275 nan 8.190 nan 0.000 0.471 629 P HA 0.254 nan 4.420 nan 0.000 0.282 629 P C -0.192 177.072 177.300 -0.061 0.000 1.249 629 P CA -0.287 62.688 63.100 -0.208 0.000 0.806 629 P CB 1.448 32.865 31.700 -0.472 0.000 0.984 630 S N 1.589 117.309 115.700 0.035 0.000 2.617 630 S HA 0.276 4.744 4.470 -0.003 0.000 0.259 630 S C 0.747 175.436 174.600 0.149 0.000 1.301 630 S CA -0.676 57.558 58.200 0.057 0.000 0.984 630 S CB -0.013 63.206 63.200 0.032 0.000 0.954 630 S HN 0.476 nan 8.310 nan 0.000 0.572 631 V N -0.657 119.302 119.914 0.076 0.000 2.881 631 V HA 0.714 4.832 4.120 -0.003 0.000 0.303 631 V C 0.726 176.782 176.094 -0.064 0.000 1.070 631 V CA -0.613 61.739 62.300 0.086 0.000 1.074 631 V CB -0.484 31.360 31.823 0.035 0.000 1.012 631 V HN 1.288 nan 8.190 nan 0.000 0.482 632 A N 3.808 126.444 122.820 -0.308 0.000 2.429 632 A HA 0.528 4.846 4.320 -0.003 0.000 0.242 632 A C 0.603 177.997 177.584 -0.317 0.000 1.088 632 A CA 0.192 51.763 52.037 -0.776 0.000 0.784 632 A CB -0.074 18.346 19.000 -0.966 0.000 1.038 632 A HN 1.182 nan 8.150 nan 0.000 0.501 633 S N -0.696 114.851 115.700 -0.255 0.000 2.503 633 S HA 0.574 5.042 4.470 -0.003 0.000 0.301 633 S C -0.308 174.284 174.600 -0.013 0.000 1.087 633 S CA -0.420 57.733 58.200 -0.077 0.000 1.042 633 S CB 1.593 64.779 63.200 -0.022 0.000 1.043 633 S HN 0.743 nan 8.310 nan 0.000 0.489 634 T N 3.912 118.519 114.554 0.089 0.000 2.767 634 T HA 0.474 4.822 4.350 -0.003 0.000 0.288 634 T C -0.478 174.364 174.700 0.237 0.000 0.963 634 T CA -0.370 61.873 62.100 0.238 0.000 1.019 634 T CB 0.176 69.218 68.868 0.289 0.000 0.923 634 T HN 0.290 nan 8.240 nan 0.000 0.468 635 I N 3.082 123.827 120.570 0.291 0.000 2.433 635 I HA 0.402 4.570 4.170 -0.003 0.000 0.292 635 I C 0.362 176.625 176.117 0.244 0.000 1.001 635 I CA -0.931 60.502 61.300 0.221 0.000 1.119 635 I CB 1.753 39.855 38.000 0.171 0.000 1.289 635 I HN 0.498 nan 8.210 nan 0.000 0.438 636 R N 5.383 125.940 120.500 0.096 0.000 2.221 636 R HA 0.553 4.890 4.340 -0.003 0.000 0.327 636 R C -1.333 174.941 176.300 -0.043 0.000 1.033 636 R CA -0.376 55.659 56.100 -0.108 0.000 0.887 636 R CB 1.007 31.149 30.300 -0.262 0.000 1.057 636 R HN 0.413 nan 8.270 nan 0.000 0.455 637 V N 4.676 124.598 119.914 0.014 0.000 2.370 637 V HA 0.250 4.368 4.120 -0.003 0.000 0.279 637 V C 0.420 176.512 176.094 -0.004 0.000 1.029 637 V CA -0.535 61.757 62.300 -0.014 0.000 0.870 637 V CB 1.452 33.219 31.823 -0.093 0.000 0.984 637 V HN 0.928 nan 8.190 nan 0.000 0.451 638 T N 2.381 116.917 114.554 -0.029 0.000 2.918 638 T HA 0.731 5.079 4.350 -0.003 0.000 0.286 638 T C -0.364 174.329 174.700 -0.012 0.000 1.026 638 T CA -0.860 61.227 62.100 -0.020 0.000 1.031 638 T CB 1.908 70.755 68.868 -0.035 0.000 1.046 638 T HN 0.668 nan 8.240 nan 0.000 0.479 639 Q N 0.000 119.800 119.800 -0.001 0.000 2.315 639 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 639 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 639 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481