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 1ce8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVINVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 P HA 0.106 nan 4.420 nan 0.000 0.306 2 P C -0.705 176.297 177.300 -0.497 0.000 1.301 2 P CA -0.178 62.783 63.100 -0.232 0.000 0.744 2 P CB 0.186 31.810 31.700 -0.127 0.000 1.400 3 K N 0.308 120.220 120.400 -0.814 0.000 2.451 3 K HA 0.104 4.425 4.320 0.002 0.000 0.280 3 K C 0.044 176.546 176.600 -0.163 0.000 1.020 3 K CA -0.096 55.818 56.287 -0.621 0.000 1.008 3 K CB 0.260 32.534 32.500 -0.376 0.000 0.917 3 K HN 0.185 nan 8.250 nan 0.000 0.478 4 R N 1.559 122.031 120.500 -0.047 0.000 2.583 4 R HA -0.067 4.274 4.340 0.002 0.000 0.274 4 R C 0.694 177.047 176.300 0.089 0.000 0.998 4 R CA 0.561 56.675 56.100 0.024 0.000 1.081 4 R CB 0.467 30.791 30.300 0.041 0.000 0.940 4 R HN 0.810 nan 8.270 nan 0.000 0.413 5 T N 0.308 114.885 114.554 0.038 0.000 3.044 5 T HA -0.020 4.331 4.350 0.002 0.000 0.260 5 T C 0.683 175.405 174.700 0.037 0.000 1.019 5 T CA 0.164 62.279 62.100 0.025 0.000 0.921 5 T CB 0.115 68.976 68.868 -0.011 0.000 1.053 5 T HN 0.690 nan 8.240 nan 0.000 0.533 6 D N 0.533 120.960 120.400 0.045 0.000 2.349 6 D HA 0.089 4.730 4.640 0.002 0.000 0.224 6 D C 0.453 176.790 176.300 0.063 0.000 1.029 6 D CA 0.087 54.111 54.000 0.041 0.000 0.879 6 D CB 0.028 40.846 40.800 0.030 0.000 0.906 6 D HN 0.441 nan 8.370 nan 0.000 0.528 7 I N -0.437 120.197 120.570 0.106 0.000 2.545 7 I HA 0.283 4.454 4.170 0.002 0.000 0.292 7 I C 0.807 177.057 176.117 0.221 0.000 1.040 7 I CA -0.788 60.602 61.300 0.149 0.000 1.068 7 I CB 2.558 40.648 38.000 0.150 0.000 1.251 7 I HN -0.348 nan 8.210 nan 0.000 0.424 8 K N 1.791 122.299 120.400 0.179 0.000 2.410 8 K HA 0.177 4.498 4.320 0.002 0.000 0.204 8 K C 0.315 177.051 176.600 0.226 0.000 1.268 8 K CA 0.236 56.615 56.287 0.154 0.000 0.896 8 K CB 0.674 33.212 32.500 0.063 0.000 1.401 8 K HN 0.681 nan 8.250 nan 0.000 0.479 9 S N 0.775 116.568 115.700 0.156 0.000 2.475 9 S HA 0.643 5.114 4.470 0.002 0.000 0.298 9 S C -0.454 174.203 174.600 0.095 0.000 1.119 9 S CA -0.814 57.459 58.200 0.122 0.000 1.085 9 S CB 1.064 64.308 63.200 0.074 0.000 1.028 9 S HN 0.066 nan 8.310 nan 0.000 0.489 10 I N 2.868 123.484 120.570 0.076 0.000 2.498 10 I HA 0.439 4.610 4.170 0.002 0.000 0.290 10 I C -0.925 175.204 176.117 0.021 0.000 1.032 10 I CA -0.742 60.575 61.300 0.028 0.000 1.073 10 I CB 2.009 40.000 38.000 -0.015 0.000 1.251 10 I HN 0.709 nan 8.210 nan 0.000 0.426 11 L N 7.623 128.848 121.223 0.004 0.000 2.275 11 L HA 0.650 4.991 4.340 0.002 0.000 0.288 11 L C -0.975 175.893 176.870 -0.004 0.000 1.046 11 L CA 0.158 54.996 54.840 -0.003 0.000 0.805 11 L CB 0.646 42.688 42.059 -0.029 0.000 1.193 11 L HN 0.449 nan 8.230 nan 0.000 0.426 12 I N 6.065 126.638 120.570 0.006 0.000 2.354 12 I HA 0.282 4.453 4.170 0.002 0.000 0.292 12 I C -0.497 175.623 176.117 0.004 0.000 0.989 12 I CA -0.579 60.723 61.300 0.005 0.000 1.188 12 I CB 1.472 39.480 38.000 0.013 0.000 1.342 12 I HN 0.493 nan 8.210 nan 0.000 0.457 13 L N 6.261 127.480 121.223 -0.007 0.000 2.315 13 L HA 0.352 4.692 4.340 0.002 0.000 0.283 13 L C 0.996 177.857 176.870 -0.016 0.000 1.089 13 L CA -0.244 54.588 54.840 -0.014 0.000 0.833 13 L CB 0.530 42.574 42.059 -0.026 0.000 1.170 13 L HN 0.687 nan 8.230 nan 0.000 0.442 14 G N 1.868 110.665 108.800 -0.005 0.000 2.599 14 G HA2 0.372 4.333 3.960 0.002 0.000 0.264 14 G HA3 0.372 4.333 3.960 0.002 0.000 0.264 14 G C 0.704 175.587 174.900 -0.029 0.000 1.200 14 G CA 0.181 45.283 45.100 0.004 0.000 0.896 14 G HN 0.780 nan 8.290 nan 0.000 0.536 15 A N -0.920 121.891 122.820 -0.015 0.000 2.147 15 A HA 0.594 4.915 4.320 0.002 0.000 0.211 15 A C 1.507 179.074 177.584 -0.027 0.000 1.160 15 A CA 1.440 53.439 52.037 -0.062 0.000 0.781 15 A CB -0.699 18.271 19.000 -0.050 0.000 0.842 15 A HN 2.532 nan 8.150 nan 0.000 0.475 16 G N -0.694 108.106 108.800 -0.000 0.000 2.660 16 G HA2 -0.048 3.913 3.960 0.002 0.000 0.247 16 G HA3 -0.048 3.913 3.960 0.002 0.000 0.247 16 G C -3.088 171.812 174.900 -0.000 0.000 1.328 16 G CA -0.458 44.637 45.100 -0.008 0.000 0.884 16 G HN 0.324 nan 8.290 nan 0.000 0.531 17 P HA 0.390 nan 4.420 nan 0.000 0.269 17 P C 0.345 177.639 177.300 -0.010 0.000 1.215 17 P CA -0.270 62.814 63.100 -0.027 0.000 0.780 17 P CB 0.381 32.051 31.700 -0.051 0.000 0.898 18 I N 2.378 122.942 120.570 -0.011 0.000 2.556 18 I HA 0.091 4.262 4.170 0.002 0.000 0.284 18 I C 0.944 177.047 176.117 -0.023 0.000 1.114 18 I CA 0.006 61.307 61.300 0.001 0.000 1.418 18 I CB 0.034 38.029 38.000 -0.008 0.000 1.394 18 I HN 0.207 nan 8.210 nan 0.000 0.552 19 V N 4.755 124.658 119.914 -0.019 0.000 3.160 19 V HA 0.572 4.693 4.120 0.002 0.000 0.310 19 V C -0.043 176.014 176.094 -0.062 0.000 1.181 19 V CA -1.212 61.056 62.300 -0.052 0.000 1.047 19 V CB 1.965 33.752 31.823 -0.060 0.000 1.068 19 V HN 0.443 nan 8.190 nan 0.000 0.441 20 I N 2.044 122.550 120.570 -0.107 0.000 2.683 20 I HA 0.440 4.611 4.170 0.002 0.000 0.286 20 I C 1.550 177.596 176.117 -0.118 0.000 1.175 20 I CA 1.917 63.139 61.300 -0.131 0.000 1.429 20 I CB 0.641 38.519 38.000 -0.204 0.000 1.371 20 I HN 1.257 nan 8.210 nan 0.000 0.569 21 G N 4.672 113.412 108.800 -0.101 0.000 2.284 21 G HA2 -0.287 3.674 3.960 0.002 0.000 0.230 21 G HA3 -0.287 3.674 3.960 0.002 0.000 0.230 21 G C 0.288 175.207 174.900 0.032 0.000 1.021 21 G CA 0.136 45.187 45.100 -0.083 0.000 0.619 21 G HN 0.604 nan 8.290 nan 0.000 0.510 22 Q N 0.247 120.089 119.800 0.069 0.000 2.786 22 Q HA 0.693 5.033 4.340 0.002 0.000 0.240 22 Q C 0.057 176.172 176.000 0.192 0.000 0.928 22 Q CA 0.387 56.330 55.803 0.233 0.000 0.721 22 Q CB 0.815 29.635 28.738 0.138 0.000 1.318 22 Q HN 0.935 nan 8.270 nan 0.000 0.474 23 A N 0.615 123.512 122.820 0.129 0.000 3.837 23 A HA 0.386 4.707 4.320 0.002 0.000 0.159 23 A C 1.070 178.665 177.584 0.019 0.000 1.157 23 A CA -0.177 51.887 52.037 0.045 0.000 0.890 23 A CB -0.329 18.657 19.000 -0.024 0.000 1.553 23 A HN 0.835 nan 8.150 nan 0.000 0.642 24 C N 1.260 120.547 119.300 -0.021 0.000 2.398 24 C HA -0.128 4.333 4.460 0.002 0.000 0.282 24 C C 2.545 177.507 174.990 -0.046 0.000 1.275 24 C CA 1.231 60.243 59.018 -0.011 0.000 1.797 24 C CB -1.481 26.254 27.740 -0.010 0.000 1.991 24 C HN 0.863 nan 8.230 nan 0.000 0.505 25 E N 1.381 121.454 120.200 -0.210 0.000 2.219 25 E HA -0.228 4.123 4.350 0.002 0.000 0.198 25 E C 1.440 177.831 176.600 -0.349 0.000 0.998 25 E CA 1.641 57.850 56.400 -0.318 0.000 0.818 25 E CB -0.705 28.684 29.700 -0.519 0.000 0.741 25 E HN 0.639 nan 8.360 nan 0.000 0.477 26 F N 1.513 121.521 119.950 0.097 0.000 2.512 26 F HA 0.069 4.597 4.527 0.002 0.000 0.296 26 F C 2.085 177.922 175.800 0.062 0.000 1.110 26 F CA 0.855 58.893 58.000 0.065 0.000 1.446 26 F CB -0.342 38.679 39.000 0.036 0.000 1.092 26 F HN 0.046 nan 8.300 nan 0.000 0.554 27 D N -0.862 119.643 120.400 0.176 0.000 2.162 27 D HA -0.211 4.430 4.640 0.002 0.000 0.203 27 D C 2.158 178.543 176.300 0.143 0.000 0.967 27 D CA 0.909 54.995 54.000 0.143 0.000 0.840 27 D CB -0.285 40.589 40.800 0.123 0.000 0.972 27 D HN 0.268 nan 8.370 nan 0.000 0.482 28 Y N 1.257 121.564 120.300 0.011 0.000 2.114 28 Y HA -0.188 4.363 4.550 0.002 0.000 0.284 28 Y C 2.472 178.381 175.900 0.014 0.000 1.143 28 Y CA 2.549 60.646 58.100 -0.006 0.000 1.135 28 Y CB -0.961 37.477 38.460 -0.036 0.000 0.980 28 Y HN 0.066 nan 8.280 nan 0.000 0.499 29 S N -0.232 115.373 115.700 -0.159 0.000 2.356 29 S HA -0.109 4.362 4.470 0.002 0.000 0.223 29 S C 2.377 176.920 174.600 -0.096 0.000 1.032 29 S CA 1.226 59.294 58.200 -0.219 0.000 1.005 29 S CB -1.623 61.578 63.200 0.002 0.000 0.867 29 S HN 0.596 nan 8.310 nan 0.000 0.449 30 G N 1.651 110.465 108.800 0.024 0.000 2.446 30 G HA2 0.004 3.965 3.960 0.002 0.000 0.217 30 G HA3 0.004 3.965 3.960 0.002 0.000 0.217 30 G C 1.758 176.659 174.900 0.001 0.000 1.168 30 G CA 1.116 46.237 45.100 0.036 0.000 0.771 30 G HN 0.857 nan 8.290 nan 0.000 0.551 31 A N 0.125 122.943 122.820 -0.003 0.000 1.908 31 A HA -0.106 4.215 4.320 0.002 0.000 0.218 31 A C 2.329 179.882 177.584 -0.052 0.000 1.181 31 A CA 1.985 54.019 52.037 -0.005 0.000 0.627 31 A CB -0.469 18.542 19.000 0.019 0.000 0.818 31 A HN 0.457 nan 8.150 nan 0.000 0.445 32 Q N -0.853 118.866 119.800 -0.136 0.000 2.061 32 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 32 Q C 2.492 178.437 176.000 -0.091 0.000 0.984 32 Q CA 1.574 57.275 55.803 -0.169 0.000 0.846 32 Q CB -0.378 28.156 28.738 -0.340 0.000 0.902 32 Q HN 0.696 nan 8.270 nan 0.000 0.421 33 A N 0.181 122.959 122.820 -0.070 0.000 1.933 33 A HA -0.193 4.128 4.320 0.002 0.000 0.218 33 A C 2.375 179.952 177.584 -0.011 0.000 1.175 33 A CA 1.333 53.350 52.037 -0.034 0.000 0.628 33 A CB -0.923 18.064 19.000 -0.022 0.000 0.814 33 A HN 0.500 nan 8.150 nan 0.000 0.444 34 C N -0.633 118.666 119.300 -0.003 0.000 2.413 34 C HA -0.096 4.365 4.460 0.002 0.000 0.276 34 C C 2.727 177.731 174.990 0.022 0.000 1.236 34 C CA 1.447 60.475 59.018 0.017 0.000 1.735 34 C CB -0.975 26.779 27.740 0.023 0.000 2.031 34 C HN 0.758 nan 8.230 nan 0.000 0.474 35 K N 1.072 121.475 120.400 0.006 0.000 2.097 35 K HA -0.111 4.210 4.320 0.002 0.000 0.206 35 K C 2.071 178.681 176.600 0.017 0.000 1.049 35 K CA 1.590 57.882 56.287 0.008 0.000 0.933 35 K CB -0.269 32.224 32.500 -0.012 0.000 0.717 35 K HN 0.406 nan 8.250 nan 0.000 0.442 36 A N 1.272 124.096 122.820 0.007 0.000 1.873 36 A HA -0.063 4.258 4.320 0.002 0.000 0.215 36 A C 2.120 179.740 177.584 0.061 0.000 1.186 36 A CA 1.099 53.144 52.037 0.013 0.000 0.616 36 A CB -0.532 18.462 19.000 -0.010 0.000 0.823 36 A HN 0.307 nan 8.150 nan 0.000 0.442 37 L N -1.127 120.136 121.223 0.066 0.000 2.056 37 L HA -0.135 4.206 4.340 0.002 0.000 0.207 37 L C 2.774 179.767 176.870 0.206 0.000 1.078 37 L CA 1.696 56.614 54.840 0.129 0.000 0.749 37 L CB -0.407 41.683 42.059 0.052 0.000 0.901 37 L HN 0.480 nan 8.230 nan 0.000 0.433 38 R N 0.544 121.118 120.500 0.123 0.000 2.096 38 R HA -0.193 4.148 4.340 0.002 0.000 0.235 38 R C 2.035 178.392 176.300 0.095 0.000 1.127 38 R CA 1.494 57.657 56.100 0.105 0.000 0.968 38 R CB -0.144 30.196 30.300 0.066 0.000 0.861 38 R HN 0.335 nan 8.270 nan 0.000 0.440 39 E N -0.076 120.176 120.200 0.086 0.000 2.077 39 E HA -0.152 4.199 4.350 0.002 0.000 0.193 39 E C 1.260 177.916 176.600 0.093 0.000 0.989 39 E CA 1.039 57.479 56.400 0.067 0.000 0.800 39 E CB 0.105 29.832 29.700 0.046 0.000 0.746 39 E HN 0.350 nan 8.360 nan 0.000 0.452 40 E N -0.492 119.810 120.200 0.170 0.000 2.511 40 E HA -0.010 4.341 4.350 0.002 0.000 0.196 40 E C 0.850 177.524 176.600 0.124 0.000 1.066 40 E CA 0.621 57.173 56.400 0.254 0.000 0.871 40 E CB 0.363 30.375 29.700 0.520 0.000 0.863 40 E HN 0.392 nan 8.360 nan 0.000 0.520 41 G N 1.110 109.958 108.800 0.080 0.000 2.198 41 G HA2 -0.301 3.660 3.960 0.002 0.000 0.257 41 G HA3 -0.301 3.660 3.960 0.002 0.000 0.257 41 G C -0.260 174.555 174.900 -0.141 0.000 1.042 41 G CA 0.189 45.264 45.100 -0.043 0.000 0.791 41 G HN 0.214 nan 8.290 nan 0.000 0.502 42 Y N -0.872 119.455 120.300 0.045 0.000 2.432 42 Y HA 0.630 5.181 4.550 0.002 0.000 0.322 42 Y C 1.138 177.057 175.900 0.032 0.000 1.246 42 Y CA -0.965 57.159 58.100 0.039 0.000 1.268 42 Y CB 0.845 39.332 38.460 0.045 0.000 1.276 42 Y HN 0.130 nan 8.280 nan 0.000 0.499 43 R N 1.395 122.010 120.500 0.191 0.000 2.202 43 R HA 0.475 4.816 4.340 0.002 0.000 0.334 43 R C -1.736 174.637 176.300 0.122 0.000 1.036 43 R CA -0.338 55.833 56.100 0.117 0.000 0.878 43 R CB 0.313 30.663 30.300 0.083 0.000 1.067 43 R HN 0.503 nan 8.270 nan 0.000 0.457 44 V N 7.209 127.181 119.914 0.097 0.000 2.370 44 V HA 0.383 4.504 4.120 0.002 0.000 0.279 44 V C 0.236 176.374 176.094 0.073 0.000 1.029 44 V CA -0.497 61.851 62.300 0.080 0.000 0.870 44 V CB 1.401 33.267 31.823 0.072 0.000 0.984 44 V HN 0.665 nan 8.190 nan 0.000 0.451 45 I N 6.113 126.726 120.570 0.071 0.000 2.569 45 I HA 0.584 4.755 4.170 0.002 0.000 0.296 45 I C -0.298 175.870 176.117 0.084 0.000 1.028 45 I CA -0.389 60.969 61.300 0.096 0.000 1.082 45 I CB 1.998 40.044 38.000 0.076 0.000 1.264 45 I HN 0.821 nan 8.210 nan 0.000 0.429 46 N N 4.929 123.706 118.700 0.129 0.000 2.484 46 N HA 0.529 5.270 4.740 0.002 0.000 0.269 46 N C -2.138 173.453 175.510 0.134 0.000 1.237 46 N CA -0.578 52.527 53.050 0.091 0.000 0.838 46 N CB 2.952 41.476 38.487 0.063 0.000 1.593 46 N HN 0.385 nan 8.380 nan 0.000 0.485 47 V N 1.130 121.090 119.914 0.075 0.000 2.588 47 V HA 0.623 4.744 4.120 0.002 0.000 0.304 47 V C -1.476 174.646 176.094 0.046 0.000 1.042 47 V CA -0.445 61.902 62.300 0.080 0.000 0.877 47 V CB 1.503 33.341 31.823 0.025 0.000 0.996 47 V HN 0.924 nan 8.190 nan 0.000 0.425 48 N N 3.179 121.907 118.700 0.047 0.000 2.578 48 N HA 0.217 4.958 4.740 0.002 0.000 0.282 48 N C 0.456 175.975 175.510 0.015 0.000 1.119 48 N CA 0.300 53.367 53.050 0.027 0.000 0.948 48 N CB 2.376 40.883 38.487 0.035 0.000 1.546 48 N HN 0.691 nan 8.380 nan 0.000 0.525 49 S N 1.548 117.248 115.700 -0.000 0.000 2.515 49 S HA -0.051 4.420 4.470 0.002 0.000 0.231 49 S C 0.749 175.337 174.600 -0.020 0.000 0.987 49 S CA 0.192 58.382 58.200 -0.015 0.000 0.936 49 S CB -0.222 62.959 63.200 -0.031 0.000 0.766 49 S HN 0.594 nan 8.310 nan 0.000 0.528 50 N N 3.255 121.946 118.700 -0.014 0.000 2.406 50 N HA 0.253 4.994 4.740 0.002 0.000 0.251 50 N C -1.753 173.743 175.510 -0.024 0.000 1.069 50 N CA -2.410 50.626 53.050 -0.024 0.000 0.947 50 N CB 1.304 39.781 38.487 -0.017 0.000 1.111 50 N HN 0.005 nan 8.380 nan 0.000 0.497 51 P HA 0.019 nan 4.420 nan 0.000 0.229 51 P C 0.107 177.306 177.300 -0.167 0.000 1.160 51 P CA 0.493 63.568 63.100 -0.041 0.000 0.777 51 P CB 0.149 31.879 31.700 0.050 0.000 0.814 52 A N 0.379 123.071 122.820 -0.213 0.000 2.648 52 A HA 0.301 4.622 4.320 0.002 0.000 0.269 52 A C 0.517 177.987 177.584 -0.190 0.000 1.392 52 A CA 0.057 51.849 52.037 -0.410 0.000 1.019 52 A CB -1.367 17.452 19.000 -0.302 0.000 1.009 52 A HN 0.279 nan 8.150 nan 0.000 0.565 53 T N -3.134 111.395 114.554 -0.041 0.000 2.856 53 T HA 0.540 4.891 4.350 0.002 0.000 0.283 53 T C 0.871 175.751 174.700 0.300 0.000 1.008 53 T CA -0.708 61.478 62.100 0.142 0.000 0.997 53 T CB 1.117 70.037 68.868 0.088 0.000 0.992 53 T HN -0.036 nan 8.240 nan 0.000 0.454 54 I N 2.146 122.875 120.570 0.266 0.000 2.439 54 I HA -0.118 4.053 4.170 0.002 0.000 0.251 54 I C 2.581 178.790 176.117 0.153 0.000 1.139 54 I CA 1.448 62.868 61.300 0.200 0.000 1.438 54 I CB -0.959 37.099 38.000 0.095 0.000 1.085 54 I HN 0.866 nan 8.210 nan 0.000 0.427 55 M N 0.481 120.153 119.600 0.120 0.000 2.267 55 M HA -0.148 4.333 4.480 0.002 0.000 0.263 55 M C 1.633 177.981 176.300 0.080 0.000 1.063 55 M CA 2.228 57.579 55.300 0.086 0.000 1.090 55 M CB -1.097 31.545 32.600 0.071 0.000 1.392 55 M HN 0.246 nan 8.290 nan 0.000 0.422 56 T N -2.610 112.001 114.554 0.095 0.000 3.163 56 T HA 0.178 4.529 4.350 0.002 0.000 0.252 56 T C -0.163 174.589 174.700 0.087 0.000 1.056 56 T CA -0.546 61.595 62.100 0.067 0.000 0.947 56 T CB -0.498 68.396 68.868 0.043 0.000 1.016 56 T HN 0.238 nan 8.240 nan 0.000 0.554 57 D N 3.858 124.338 120.400 0.133 0.000 2.348 57 D HA 0.196 4.837 4.640 0.002 0.000 0.253 57 D C -1.301 175.048 176.300 0.081 0.000 1.161 57 D CA -2.174 51.918 54.000 0.153 0.000 0.876 57 D CB 1.849 42.762 40.800 0.187 0.000 1.160 57 D HN 0.109 nan 8.370 nan 0.000 0.459 58 P HA -0.203 nan 4.420 nan 0.000 0.217 58 P C 0.934 178.252 177.300 0.030 0.000 1.148 58 P CA 1.215 64.331 63.100 0.027 0.000 0.834 58 P CB 0.156 31.890 31.700 0.056 0.000 0.783 59 E N -1.286 118.939 120.200 0.041 0.000 2.502 59 E HA -0.007 4.344 4.350 0.002 0.000 0.194 59 E C 1.183 177.798 176.600 0.026 0.000 1.062 59 E CA 0.352 56.768 56.400 0.026 0.000 0.867 59 E CB -0.380 29.329 29.700 0.015 0.000 0.888 59 E HN 0.170 nan 8.360 nan 0.000 0.510 60 M N 0.635 120.256 119.600 0.034 0.000 2.492 60 M HA 0.343 4.824 4.480 0.002 0.000 0.255 60 M C 0.870 177.191 176.300 0.034 0.000 1.139 60 M CA 0.176 55.497 55.300 0.035 0.000 1.096 60 M CB 0.408 33.036 32.600 0.047 0.000 1.360 60 M HN 0.194 nan 8.290 nan 0.000 0.480 61 A N -0.526 122.312 122.820 0.030 0.000 2.567 61 A HA 0.544 4.865 4.320 0.002 0.000 0.289 61 A C -0.122 177.475 177.584 0.022 0.000 1.177 61 A CA -0.584 51.471 52.037 0.031 0.000 0.694 61 A CB 0.741 19.763 19.000 0.036 0.000 1.292 61 A HN 0.147 nan 8.150 nan 0.000 0.425 62 D N -0.089 120.329 120.400 0.030 0.000 2.201 62 D HA 0.298 4.939 4.640 0.002 0.000 0.209 62 D C 0.649 176.957 176.300 0.013 0.000 0.961 62 D CA 1.757 55.772 54.000 0.026 0.000 0.861 62 D CB 0.329 41.153 40.800 0.041 0.000 0.997 62 D HN 0.749 nan 8.370 nan 0.000 0.486 63 A N 1.000 123.840 122.820 0.033 0.000 2.569 63 A HA 0.450 4.771 4.320 0.002 0.000 0.282 63 A C -0.640 176.960 177.584 0.028 0.000 1.165 63 A CA -0.580 51.470 52.037 0.021 0.000 0.747 63 A CB 0.862 19.959 19.000 0.162 0.000 1.215 63 A HN -0.136 nan 8.150 nan 0.000 0.431 64 T N 2.386 116.841 114.554 -0.165 0.000 2.733 64 T HA 0.476 4.827 4.350 0.002 0.000 0.294 64 T C -0.976 173.486 174.700 -0.395 0.000 0.956 64 T CA 0.352 62.362 62.100 -0.150 0.000 0.987 64 T CB -0.023 68.778 68.868 -0.113 0.000 0.920 64 T HN 0.386 nan 8.240 nan 0.000 0.470 65 Y N 2.644 122.906 120.300 -0.063 0.000 2.478 65 Y HA 0.432 4.983 4.550 0.002 0.000 0.329 65 Y C 0.426 176.286 175.900 -0.068 0.000 0.967 65 Y CA -1.075 56.981 58.100 -0.075 0.000 1.255 65 Y CB 0.544 38.963 38.460 -0.068 0.000 1.103 65 Y HN 0.572 nan 8.280 nan 0.000 0.497 66 I N 5.087 125.650 120.570 -0.012 0.000 2.241 66 I HA 0.204 4.375 4.170 0.002 0.000 0.294 66 I C -0.302 175.814 176.117 -0.003 0.000 1.145 66 I CA 0.125 61.418 61.300 -0.012 0.000 1.261 66 I CB -0.100 37.870 38.000 -0.051 0.000 1.475 66 I HN 0.535 nan 8.210 nan 0.000 0.533 67 E N 6.059 126.273 120.200 0.025 0.000 2.408 67 E HA 0.433 4.784 4.350 0.002 0.000 0.275 67 E C -2.642 173.947 176.600 -0.017 0.000 0.935 67 E CA -2.078 54.322 56.400 0.001 0.000 0.775 67 E CB 1.902 31.623 29.700 0.034 0.000 1.277 67 E HN 0.031 nan 8.360 nan 0.000 0.455 68 P HA 0.044 nan 4.420 nan 0.000 0.263 68 P C 0.046 177.340 177.300 -0.011 0.000 1.175 68 P CA 0.504 63.579 63.100 -0.041 0.000 0.761 68 P CB 0.179 31.840 31.700 -0.066 0.000 0.794 69 I N 3.132 123.702 120.570 0.001 0.000 2.204 69 I HA 0.119 4.290 4.170 0.002 0.000 0.285 69 I C 0.934 177.074 176.117 0.038 0.000 1.112 69 I CA -0.055 61.251 61.300 0.010 0.000 1.502 69 I CB -0.824 37.172 38.000 -0.006 0.000 1.499 69 I HN 0.387 nan 8.210 nan 0.000 0.661 70 H N 5.047 124.077 119.070 -0.066 0.000 2.495 70 H HA 0.076 4.633 4.556 0.002 0.000 0.348 70 H C 0.595 175.857 175.328 -0.110 0.000 1.113 70 H CA -0.862 55.132 56.048 -0.090 0.000 1.195 70 H CB 1.553 31.208 29.762 -0.178 0.000 1.521 70 H HN 0.579 nan 8.280 nan 0.000 0.509 71 W N 4.845 126.080 121.300 -0.108 0.000 2.325 71 W HA -0.128 4.533 4.660 0.001 0.000 0.299 71 W C 0.654 177.240 176.519 0.113 0.000 1.215 71 W CA 0.912 58.244 57.345 -0.022 0.000 1.244 71 W CB -0.387 29.009 29.460 -0.107 0.000 1.140 71 W HN 0.625 nan 8.180 nan 0.000 0.523 72 E N 0.864 120.601 120.200 -0.772 0.000 2.077 72 E HA -0.164 4.187 4.350 0.002 0.000 0.193 72 E C 2.392 178.784 176.600 -0.345 0.000 0.989 72 E CA 1.855 57.736 56.400 -0.864 0.000 0.800 72 E CB -0.165 28.980 29.700 -0.925 0.000 0.746 72 E HN 0.161 nan 8.360 nan 0.000 0.452 73 V N 0.741 120.522 119.914 -0.221 0.000 2.453 73 V HA -0.181 3.940 4.120 0.002 0.000 0.247 73 V C 2.299 178.310 176.094 -0.139 0.000 1.048 73 V CA 1.085 63.284 62.300 -0.168 0.000 1.049 73 V CB -0.125 31.622 31.823 -0.127 0.000 0.672 73 V HN 0.114 nan 8.190 nan 0.000 0.457 74 V N 0.354 120.219 119.914 -0.082 0.000 2.548 74 V HA -0.211 3.910 4.120 0.002 0.000 0.249 74 V C 2.515 178.547 176.094 -0.102 0.000 1.055 74 V CA 2.088 64.334 62.300 -0.089 0.000 1.065 74 V CB -0.866 30.949 31.823 -0.014 0.000 0.681 74 V HN 0.544 nan 8.190 nan 0.000 0.462 75 R N 0.564 121.047 120.500 -0.029 0.000 2.091 75 R HA -0.175 4.166 4.340 0.002 0.000 0.238 75 R C 2.341 178.548 176.300 -0.156 0.000 1.136 75 R CA 1.454 57.551 56.100 -0.004 0.000 0.959 75 R CB -0.171 30.209 30.300 0.132 0.000 0.856 75 R HN 0.266 nan 8.270 nan 0.000 0.437 76 K N 0.627 120.933 120.400 -0.157 0.000 2.097 76 K HA -0.118 4.203 4.320 0.002 0.000 0.206 76 K C 2.067 178.508 176.600 -0.263 0.000 1.049 76 K CA 1.362 57.541 56.287 -0.180 0.000 0.933 76 K CB -0.283 32.127 32.500 -0.149 0.000 0.717 76 K HN 0.374 nan 8.250 nan 0.000 0.442 77 I N 0.526 120.897 120.570 -0.332 0.000 2.252 77 I HA -0.221 3.950 4.170 0.002 0.000 0.245 77 I C 2.269 178.132 176.117 -0.423 0.000 1.102 77 I CA 0.866 61.865 61.300 -0.501 0.000 1.385 77 I CB -0.170 37.441 38.000 -0.648 0.000 1.064 77 I HN 0.027 nan 8.210 nan 0.000 0.414 78 I N 0.643 120.976 120.570 -0.394 0.000 2.202 78 I HA -0.306 3.865 4.170 0.002 0.000 0.242 78 I C 2.641 178.361 176.117 -0.662 0.000 1.091 78 I CA 1.525 62.562 61.300 -0.438 0.000 1.368 78 I CB -0.401 37.353 38.000 -0.409 0.000 1.058 78 I HN 0.296 nan 8.210 nan 0.000 0.410 79 E N 1.558 121.208 120.200 -0.916 0.000 2.130 79 E HA -0.315 4.036 4.350 0.002 0.000 0.196 79 E C 2.183 178.567 176.600 -0.359 0.000 0.998 79 E CA 1.602 57.424 56.400 -0.964 0.000 0.806 79 E CB -0.018 29.390 29.700 -0.487 0.000 0.738 79 E HN 0.357 nan 8.360 nan 0.000 0.459 80 K N -0.503 119.731 120.400 -0.277 0.000 2.314 80 K HA -0.040 4.281 4.320 0.002 0.000 0.198 80 K C 1.301 177.843 176.600 -0.097 0.000 1.045 80 K CA 0.696 56.902 56.287 -0.136 0.000 0.988 80 K CB 0.416 32.853 32.500 -0.104 0.000 0.783 80 K HN 0.034 nan 8.250 nan 0.000 0.484 81 E N 0.439 120.554 120.200 -0.143 0.000 2.465 81 E HA 0.074 4.425 4.350 0.002 0.000 0.209 81 E C -0.380 176.188 176.600 -0.053 0.000 0.951 81 E CA -0.034 56.327 56.400 -0.064 0.000 0.997 81 E CB 0.660 30.328 29.700 -0.055 0.000 1.025 81 E HN 0.122 nan 8.360 nan 0.000 0.500 82 R N 1.038 121.475 120.500 -0.106 0.000 3.127 82 R HA -0.127 4.213 4.340 0.002 0.000 0.247 82 R C -2.437 173.863 176.300 -0.000 0.000 0.896 82 R CA 0.310 56.387 56.100 -0.038 0.000 0.624 82 R CB -2.517 27.801 30.300 0.030 0.000 1.154 82 R HN 0.227 nan 8.270 nan 0.000 0.474 83 P HA 0.139 nan 4.420 nan 0.000 0.275 83 P C 0.486 177.806 177.300 0.034 0.000 1.228 83 P CA -0.313 62.793 63.100 0.010 0.000 0.786 83 P CB 0.734 32.428 31.700 -0.009 0.000 0.927 84 D N 0.289 120.717 120.400 0.047 0.000 2.162 84 D HA 0.056 4.697 4.640 0.002 0.000 0.203 84 D C 0.855 177.180 176.300 0.042 0.000 0.967 84 D CA 1.221 55.252 54.000 0.052 0.000 0.840 84 D CB 0.324 41.161 40.800 0.062 0.000 0.972 84 D HN 0.453 nan 8.370 nan 0.000 0.482 85 A N -0.238 122.600 122.820 0.030 0.000 2.530 85 A HA 0.639 4.960 4.320 0.002 0.000 0.288 85 A C -1.392 176.194 177.584 0.004 0.000 1.172 85 A CA -0.572 51.474 52.037 0.015 0.000 0.733 85 A CB 2.369 21.370 19.000 0.002 0.000 1.320 85 A HN -0.058 nan 8.150 nan 0.000 0.419 86 V N 0.480 120.393 119.914 -0.002 0.000 2.668 86 V HA 0.602 4.723 4.120 0.002 0.000 0.304 86 V C -1.872 174.215 176.094 -0.011 0.000 1.071 86 V CA -0.544 61.752 62.300 -0.007 0.000 0.894 86 V CB 1.503 33.324 31.823 -0.003 0.000 1.008 86 V HN 1.036 nan 8.190 nan 0.000 0.425 87 L N 10.407 131.621 121.223 -0.015 0.000 2.272 87 L HA 0.737 5.078 4.340 0.002 0.000 0.284 87 L C -2.064 174.798 176.870 -0.013 0.000 1.045 87 L CA -1.315 53.515 54.840 -0.016 0.000 0.842 87 L CB 1.704 43.749 42.059 -0.022 0.000 1.224 87 L HN 0.527 nan 8.230 nan 0.000 0.430 88 P HA 0.149 nan 4.420 nan 0.000 0.272 88 P C 0.402 177.687 177.300 -0.026 0.000 1.408 88 P CA 0.115 63.204 63.100 -0.018 0.000 0.996 88 P CB 0.270 31.964 31.700 -0.010 0.000 1.481 89 T N -4.773 109.773 114.554 -0.014 0.000 3.069 89 T HA 0.243 4.594 4.350 0.002 0.000 0.252 89 T C 1.165 175.870 174.700 0.007 0.000 1.053 89 T CA 0.013 62.108 62.100 -0.007 0.000 0.964 89 T CB -0.335 68.540 68.868 0.012 0.000 1.005 89 T HN -0.129 nan 8.240 nan 0.000 0.532 90 M N 1.111 120.713 119.600 0.003 0.000 2.405 90 M HA 0.398 4.879 4.480 0.002 0.000 0.292 90 M C 1.242 177.552 176.300 0.016 0.000 1.111 90 M CA 0.041 55.374 55.300 0.055 0.000 0.979 90 M CB 0.650 33.279 32.600 0.048 0.000 1.426 90 M HN 0.418 nan 8.290 nan 0.000 0.509 91 G N 0.168 108.875 108.800 -0.155 0.000 4.432 91 G HA2 0.492 4.453 3.960 0.002 0.000 0.294 91 G HA3 0.492 4.453 3.960 0.002 0.000 0.294 91 G C 0.745 175.275 174.900 -0.616 0.000 1.141 91 G CA 0.124 45.063 45.100 -0.268 0.000 0.895 91 G HN 0.569 nan 8.290 nan 0.000 0.548 92 G N 0.669 108.741 108.800 -1.213 0.000 2.569 92 G HA2 -0.332 3.629 3.960 0.002 0.000 0.259 92 G HA3 -0.332 3.629 3.960 0.002 0.000 0.259 92 G C 0.856 175.470 174.900 -0.477 0.000 1.263 92 G CA 0.632 44.964 45.100 -1.279 0.000 0.928 92 G HN 0.586 nan 8.290 nan 0.000 0.572 93 Q N -0.993 118.628 119.800 -0.298 0.000 2.245 93 Q HA 0.100 4.441 4.340 0.002 0.000 0.201 93 Q C 2.806 178.746 176.000 -0.100 0.000 0.955 93 Q CA 2.570 58.294 55.803 -0.131 0.000 0.870 93 Q CB -0.498 28.200 28.738 -0.066 0.000 0.945 93 Q HN 0.703 nan 8.270 nan 0.000 0.461 94 T N 0.147 114.620 114.554 -0.134 0.000 2.652 94 T HA -0.208 4.143 4.350 0.002 0.000 0.267 94 T C 1.716 176.368 174.700 -0.081 0.000 1.039 94 T CA 1.557 63.602 62.100 -0.091 0.000 1.153 94 T CB -0.648 68.164 68.868 -0.093 0.000 0.863 94 T HN 0.477 nan 8.240 nan 0.000 0.428 95 A N 1.265 124.015 122.820 -0.117 0.000 1.908 95 A HA -0.049 4.272 4.320 0.002 0.000 0.218 95 A C 2.349 179.902 177.584 -0.051 0.000 1.181 95 A CA 1.334 53.320 52.037 -0.085 0.000 0.627 95 A CB -0.914 18.024 19.000 -0.104 0.000 0.818 95 A HN 0.472 nan 8.150 nan 0.000 0.445 96 L N -0.647 120.547 121.223 -0.048 0.000 1.976 96 L HA -0.240 4.101 4.340 0.002 0.000 0.209 96 L C 2.476 179.366 176.870 0.032 0.000 1.071 96 L CA 1.742 56.588 54.840 0.011 0.000 0.746 96 L CB -0.937 41.150 42.059 0.047 0.000 0.890 96 L HN 0.366 nan 8.230 nan 0.000 0.432 97 N N -0.327 118.388 118.700 0.025 0.000 2.061 97 N HA -0.227 4.514 4.740 0.002 0.000 0.193 97 N C 1.892 177.366 175.510 -0.059 0.000 1.030 97 N CA 1.664 54.701 53.050 -0.021 0.000 0.856 97 N CB -0.950 37.525 38.487 -0.020 0.000 1.023 97 N HN 0.379 nan 8.380 nan 0.000 0.424 98 C N 0.756 120.035 119.300 -0.036 0.000 2.429 98 C HA 0.078 4.539 4.460 0.002 0.000 0.277 98 C C 2.732 177.710 174.990 -0.021 0.000 1.262 98 C CA 1.052 60.059 59.018 -0.018 0.000 1.733 98 C CB -1.311 26.428 27.740 -0.000 0.000 2.010 98 C HN 0.477 nan 8.230 nan 0.000 0.483 99 A N 0.056 122.863 122.820 -0.021 0.000 1.883 99 A HA -0.105 4.216 4.320 0.002 0.000 0.217 99 A C 1.964 179.524 177.584 -0.040 0.000 1.186 99 A CA 1.822 53.848 52.037 -0.018 0.000 0.624 99 A CB -0.724 18.271 19.000 -0.008 0.000 0.822 99 A HN 0.535 nan 8.150 nan 0.000 0.444 100 L N -0.550 120.640 121.223 -0.055 0.000 2.201 100 L HA -0.087 4.254 4.340 0.002 0.000 0.212 100 L C 2.355 179.124 176.870 -0.168 0.000 1.105 100 L CA 2.083 56.864 54.840 -0.099 0.000 0.775 100 L CB -0.570 41.415 42.059 -0.124 0.000 0.913 100 L HN 0.577 nan 8.230 nan 0.000 0.440 101 E N -0.245 119.843 120.200 -0.186 0.000 2.072 101 E HA -0.167 4.184 4.350 0.002 0.000 0.190 101 E C 2.205 178.606 176.600 -0.331 0.000 0.982 101 E CA 1.186 57.410 56.400 -0.293 0.000 0.803 101 E CB -0.261 29.274 29.700 -0.275 0.000 0.755 101 E HN 0.394 nan 8.360 nan 0.000 0.453 102 L N 0.736 121.864 121.223 -0.159 0.000 2.042 102 L HA -0.189 4.152 4.340 0.002 0.000 0.210 102 L C 2.738 179.541 176.870 -0.112 0.000 1.076 102 L CA 1.637 56.428 54.840 -0.081 0.000 0.749 102 L CB -0.497 41.581 42.059 0.031 0.000 0.893 102 L HN 0.270 nan 8.230 nan 0.000 0.432 103 E N 0.198 120.336 120.200 -0.102 0.000 2.051 103 E HA -0.249 4.102 4.350 0.002 0.000 0.192 103 E C 2.333 178.855 176.600 -0.130 0.000 0.991 103 E CA 1.139 57.487 56.400 -0.087 0.000 0.799 103 E CB 0.006 29.666 29.700 -0.067 0.000 0.748 103 E HN 0.327 nan 8.360 nan 0.000 0.449 104 R N 0.198 120.585 120.500 -0.188 0.000 2.083 104 R HA -0.136 4.205 4.340 0.002 0.000 0.237 104 R C 2.110 178.258 176.300 -0.252 0.000 1.137 104 R CA 1.368 57.338 56.100 -0.217 0.000 0.951 104 R CB 0.028 30.166 30.300 -0.270 0.000 0.851 104 R HN 0.160 nan 8.270 nan 0.000 0.434 105 Q N -0.794 118.785 119.800 -0.368 0.000 2.515 105 Q HA 0.007 4.348 4.340 0.002 0.000 0.212 105 Q C 1.038 176.924 176.000 -0.191 0.000 0.970 105 Q CA 0.985 56.537 55.803 -0.417 0.000 0.941 105 Q CB 0.586 28.771 28.738 -0.923 0.000 0.998 105 Q HN 0.688 nan 8.270 nan 0.000 0.518 106 G N 0.280 109.002 108.800 -0.129 0.000 2.168 106 G HA2 -0.318 3.643 3.960 0.002 0.000 0.263 106 G HA3 -0.318 3.643 3.960 0.002 0.000 0.263 106 G C 1.005 175.903 174.900 -0.004 0.000 0.977 106 G CA 0.517 45.580 45.100 -0.062 0.000 0.659 106 G HN 0.320 nan 8.290 nan 0.000 0.533 107 V N 0.634 120.570 119.914 0.037 0.000 2.392 107 V HA -0.181 3.940 4.120 0.002 0.000 0.249 107 V C 2.925 179.143 176.094 0.207 0.000 1.059 107 V CA 2.231 64.638 62.300 0.179 0.000 1.051 107 V CB -0.496 31.473 31.823 0.244 0.000 0.658 107 V HN 0.526 nan 8.190 nan 0.000 0.455 108 L N -0.334 120.952 121.223 0.104 0.000 1.976 108 L HA -0.227 4.114 4.340 0.002 0.000 0.209 108 L C 2.624 179.541 176.870 0.078 0.000 1.071 108 L CA 2.257 57.152 54.840 0.092 0.000 0.746 108 L CB -0.677 41.404 42.059 0.036 0.000 0.890 108 L HN 0.373 nan 8.230 nan 0.000 0.432 109 E N 0.326 120.540 120.200 0.024 0.000 2.049 109 E HA -0.275 4.076 4.350 0.002 0.000 0.198 109 E C 2.070 178.645 176.600 -0.042 0.000 1.007 109 E CA 1.567 57.961 56.400 -0.010 0.000 0.809 109 E CB 0.000 29.681 29.700 -0.032 0.000 0.749 109 E HN 0.267 nan 8.360 nan 0.000 0.450 110 E N -0.817 119.335 120.200 -0.081 0.000 2.095 110 E HA -0.232 4.119 4.350 0.002 0.000 0.212 110 E C 1.426 177.741 176.600 -0.475 0.000 1.044 110 E CA 1.716 57.944 56.400 -0.286 0.000 0.857 110 E CB -0.222 29.307 29.700 -0.285 0.000 0.764 110 E HN 0.350 nan 8.360 nan 0.000 0.462 111 F N -0.778 119.176 119.950 0.007 0.000 2.641 111 F HA 0.275 4.803 4.527 0.002 0.000 0.302 111 F C 1.082 176.884 175.800 0.005 0.000 1.098 111 F CA 0.378 58.382 58.000 0.006 0.000 1.318 111 F CB 0.899 39.903 39.000 0.006 0.000 1.035 111 F HN 0.033 nan 8.300 nan 0.000 0.551 112 G N 1.669 110.535 108.800 0.110 0.000 2.359 112 G HA2 -0.210 3.751 3.960 0.002 0.000 0.298 112 G HA3 -0.210 3.751 3.960 0.002 0.000 0.298 112 G C -0.481 174.473 174.900 0.090 0.000 1.030 112 G CA 0.037 45.182 45.100 0.075 0.000 1.149 112 G HN 0.171 nan 8.290 nan 0.000 0.512 113 V N 1.083 121.053 119.914 0.092 0.000 2.347 113 V HA 0.498 4.619 4.120 0.002 0.000 0.280 113 V C 0.817 176.936 176.094 0.043 0.000 1.021 113 V CA -0.408 61.934 62.300 0.069 0.000 0.847 113 V CB 1.552 33.417 31.823 0.071 0.000 0.990 113 V HN 0.444 nan 8.190 nan 0.000 0.444 114 T N 6.335 120.909 114.554 0.032 0.000 2.869 114 T HA 0.369 4.720 4.350 0.002 0.000 0.295 114 T C -0.011 174.697 174.700 0.013 0.000 0.987 114 T CA -0.125 61.987 62.100 0.021 0.000 1.109 114 T CB 0.833 69.712 68.868 0.019 0.000 0.932 114 T HN 0.637 nan 8.240 nan 0.000 0.518 115 M N 5.244 124.850 119.600 0.010 0.000 2.120 115 M HA 0.461 4.942 4.480 0.002 0.000 0.354 115 M C -0.514 175.788 176.300 0.002 0.000 1.287 115 M CA -0.461 54.842 55.300 0.005 0.000 1.103 115 M CB -0.058 32.545 32.600 0.006 0.000 1.623 115 M HN 0.646 nan 8.290 nan 0.000 0.471 116 I N 1.246 121.814 120.570 -0.005 0.000 3.023 116 I HA 0.959 5.129 4.170 0.002 0.000 0.312 116 I C 0.660 176.774 176.117 -0.005 0.000 1.056 116 I CA -0.195 61.100 61.300 -0.009 0.000 1.033 116 I CB 1.775 39.760 38.000 -0.025 0.000 1.233 116 I HN 0.825 nan 8.210 nan 0.000 0.462 117 G N 2.481 111.281 108.800 -0.000 0.000 4.165 117 G HA2 -0.052 3.909 3.960 0.002 0.000 0.211 117 G HA3 -0.052 3.909 3.960 0.002 0.000 0.211 117 G C 0.089 174.998 174.900 0.015 0.000 1.469 117 G CA 0.314 45.419 45.100 0.008 0.000 0.964 117 G HN 1.701 nan 8.290 nan 0.000 0.613 118 A N -0.099 122.729 122.820 0.013 0.000 2.515 118 A HA 0.913 5.234 4.320 0.002 0.000 0.298 118 A C 0.113 177.707 177.584 0.016 0.000 1.059 118 A CA 0.992 53.039 52.037 0.017 0.000 0.698 118 A CB 1.298 20.308 19.000 0.018 0.000 1.289 118 A HN 2.003 nan 8.150 nan 0.000 0.404 119 T N -0.941 113.624 114.554 0.018 0.000 2.847 119 T HA 0.560 4.911 4.350 0.002 0.000 0.279 119 T C 1.351 176.066 174.700 0.025 0.000 0.984 119 T CA 0.244 62.355 62.100 0.018 0.000 0.988 119 T CB 1.264 70.142 68.868 0.017 0.000 1.040 119 T HN 1.619 nan 8.240 nan 0.000 0.528 120 A N 0.469 123.302 122.820 0.023 0.000 1.933 120 A HA -0.030 4.291 4.320 0.002 0.000 0.218 120 A C 1.992 179.604 177.584 0.047 0.000 1.175 120 A CA 2.032 54.089 52.037 0.032 0.000 0.628 120 A CB -1.285 17.722 19.000 0.013 0.000 0.814 120 A HN 1.030 nan 8.150 nan 0.000 0.444 121 D N -0.393 120.028 120.400 0.035 0.000 2.117 121 D HA 0.007 4.648 4.640 0.002 0.000 0.198 121 D C 2.043 178.372 176.300 0.048 0.000 0.982 121 D CA 1.497 55.521 54.000 0.041 0.000 0.828 121 D CB -0.190 40.626 40.800 0.026 0.000 0.967 121 D HN 0.322 nan 8.370 nan 0.000 0.464 122 A N 0.563 123.406 122.820 0.038 0.000 1.873 122 A HA -0.182 4.139 4.320 0.002 0.000 0.218 122 A C 2.427 180.033 177.584 0.037 0.000 1.193 122 A CA 1.672 53.731 52.037 0.036 0.000 0.629 122 A CB -1.058 17.959 19.000 0.029 0.000 0.826 122 A HN 0.405 nan 8.150 nan 0.000 0.447 123 I N -0.405 120.190 120.570 0.042 0.000 2.113 123 I HA -0.335 3.836 4.170 0.002 0.000 0.242 123 I C 2.346 178.486 176.117 0.038 0.000 1.064 123 I CA 2.254 63.579 61.300 0.041 0.000 1.320 123 I CB -0.583 37.465 38.000 0.079 0.000 1.028 123 I HN 0.456 nan 8.210 nan 0.000 0.406 124 D N 0.656 121.136 120.400 0.134 0.000 2.144 124 D HA -0.213 4.428 4.640 0.002 0.000 0.200 124 D C 2.206 178.550 176.300 0.074 0.000 0.978 124 D CA 1.227 55.354 54.000 0.212 0.000 0.833 124 D CB 0.048 40.991 40.800 0.239 0.000 0.961 124 D HN 0.096 nan 8.370 nan 0.000 0.470 125 K N -0.467 119.970 120.400 0.062 0.000 2.063 125 K HA -0.162 4.159 4.320 0.002 0.000 0.208 125 K C 1.908 178.559 176.600 0.086 0.000 1.048 125 K CA 1.384 57.709 56.287 0.064 0.000 0.928 125 K CB -0.117 32.416 32.500 0.056 0.000 0.713 125 K HN 0.179 nan 8.250 nan 0.000 0.442 126 A N 0.647 123.491 122.820 0.039 0.000 1.903 126 A HA -0.055 4.266 4.320 0.002 0.000 0.213 126 A C 1.780 179.220 177.584 -0.242 0.000 1.185 126 A CA 0.937 52.974 52.037 -0.001 0.000 0.628 126 A CB -0.169 18.797 19.000 -0.057 0.000 0.830 126 A HN 0.218 nan 8.150 nan 0.000 0.446 127 E N 0.650 120.602 120.200 -0.412 0.000 2.152 127 E HA -0.088 4.263 4.350 0.002 0.000 0.192 127 E C -0.007 176.082 176.600 -0.851 0.000 0.983 127 E CA 0.386 56.249 56.400 -0.895 0.000 0.818 127 E CB -0.237 28.470 29.700 -1.654 0.000 0.758 127 E HN 0.566 nan 8.360 nan 0.000 0.467 128 D N 1.206 121.370 120.400 -0.393 0.000 2.336 128 D HA -0.001 4.640 4.640 0.002 0.000 0.249 128 D C 1.004 177.297 176.300 -0.012 0.000 1.213 128 D CA -0.134 53.838 54.000 -0.047 0.000 0.870 128 D CB 0.615 41.502 40.800 0.146 0.000 1.076 128 D HN -0.166 nan 8.370 nan 0.000 0.483 129 R N 3.384 123.875 120.500 -0.015 0.000 2.117 129 R HA -0.166 4.175 4.340 0.002 0.000 0.243 129 R C 2.006 178.357 176.300 0.085 0.000 1.143 129 R CA 0.739 56.852 56.100 0.021 0.000 0.968 129 R CB -0.317 29.978 30.300 -0.008 0.000 0.863 129 R HN 0.531 nan 8.270 nan 0.000 0.444 130 R N 1.179 121.722 120.500 0.073 0.000 2.066 130 R HA -0.062 4.279 4.340 0.002 0.000 0.232 130 R C 2.260 178.598 176.300 0.065 0.000 1.131 130 R CA 1.299 57.438 56.100 0.064 0.000 0.955 130 R CB -0.068 30.277 30.300 0.076 0.000 0.851 130 R HN 0.206 nan 8.270 nan 0.000 0.432 131 R N -0.696 119.850 120.500 0.078 0.000 2.081 131 R HA -0.154 4.187 4.340 0.002 0.000 0.235 131 R C 2.250 178.581 176.300 0.052 0.000 1.131 131 R CA 1.561 57.697 56.100 0.059 0.000 0.960 131 R CB -0.512 29.830 30.300 0.070 0.000 0.856 131 R HN 0.206 nan 8.270 nan 0.000 0.436 132 F N 2.079 122.002 119.950 -0.045 0.000 2.126 132 F HA -0.237 4.291 4.527 0.002 0.000 0.299 132 F C 1.833 177.604 175.800 -0.048 0.000 1.096 132 F CA 1.944 59.908 58.000 -0.059 0.000 1.255 132 F CB -0.276 38.672 39.000 -0.088 0.000 0.997 132 F HN -0.047 nan 8.300 nan 0.000 0.479 133 D N -0.532 119.877 120.400 0.016 0.000 2.117 133 D HA -0.162 4.479 4.640 0.002 0.000 0.197 133 D C 2.291 178.525 176.300 -0.111 0.000 0.987 133 D CA 1.383 55.352 54.000 -0.052 0.000 0.829 133 D CB -0.125 40.689 40.800 0.023 0.000 0.961 133 D HN 0.172 nan 8.370 nan 0.000 0.460 134 V N 0.526 120.395 119.914 -0.074 0.000 2.295 134 V HA -0.226 3.895 4.120 0.002 0.000 0.246 134 V C 2.450 178.476 176.094 -0.113 0.000 1.049 134 V CA 1.781 64.040 62.300 -0.068 0.000 1.024 134 V CB -0.786 31.018 31.823 -0.032 0.000 0.648 134 V HN 0.306 nan 8.190 nan 0.000 0.447 135 A N -0.399 122.322 122.820 -0.164 0.000 1.933 135 A HA -0.225 4.096 4.320 0.002 0.000 0.218 135 A C 2.218 179.656 177.584 -0.244 0.000 1.175 135 A CA 2.059 53.979 52.037 -0.197 0.000 0.628 135 A CB -0.432 18.432 19.000 -0.226 0.000 0.814 135 A HN 0.433 nan 8.150 nan 0.000 0.444 136 M N -0.430 118.957 119.600 -0.355 0.000 2.117 136 M HA -0.109 4.372 4.480 0.002 0.000 0.262 136 M C 2.101 178.312 176.300 -0.149 0.000 1.065 136 M CA 1.864 56.990 55.300 -0.290 0.000 1.114 136 M CB -1.223 31.175 32.600 -0.336 0.000 1.361 136 M HN 0.521 nan 8.290 nan 0.000 0.408 137 K N 0.788 121.114 120.400 -0.124 0.000 2.057 137 K HA -0.194 4.127 4.320 0.002 0.000 0.207 137 K C 2.145 178.707 176.600 -0.063 0.000 1.049 137 K CA 1.403 57.647 56.287 -0.072 0.000 0.931 137 K CB -0.055 32.410 32.500 -0.057 0.000 0.714 137 K HN 0.204 nan 8.250 nan 0.000 0.440 138 K N 1.230 121.584 120.400 -0.076 0.000 2.097 138 K HA -0.130 4.191 4.320 0.002 0.000 0.206 138 K C 1.705 178.274 176.600 -0.052 0.000 1.049 138 K CA 1.627 57.880 56.287 -0.058 0.000 0.933 138 K CB -0.147 32.319 32.500 -0.058 0.000 0.717 138 K HN 0.396 nan 8.250 nan 0.000 0.442 139 I N -3.007 117.524 120.570 -0.066 0.000 3.855 139 I HA 0.334 4.505 4.170 0.002 0.000 0.327 139 I C 0.616 176.712 176.117 -0.035 0.000 1.359 139 I CA 0.159 61.429 61.300 -0.049 0.000 1.142 139 I CB 0.175 38.144 38.000 -0.052 0.000 1.041 139 I HN 0.188 nan 8.210 nan 0.000 0.403 140 G N 2.169 110.948 108.800 -0.036 0.000 2.225 140 G HA2 -0.255 3.706 3.960 0.002 0.000 0.267 140 G HA3 -0.255 3.706 3.960 0.002 0.000 0.267 140 G C -0.029 174.865 174.900 -0.011 0.000 1.024 140 G CA 0.233 45.320 45.100 -0.021 0.000 0.784 140 G HN 0.476 nan 8.290 nan 0.000 0.507 141 L N -0.013 121.197 121.223 -0.021 0.000 2.334 141 L HA 0.507 4.848 4.340 0.002 0.000 0.277 141 L C 0.803 177.680 176.870 0.011 0.000 1.075 141 L CA -0.735 54.111 54.840 0.011 0.000 0.804 141 L CB 1.471 43.544 42.059 0.023 0.000 1.174 141 L HN 0.379 nan 8.230 nan 0.000 0.438 142 E N 2.024 122.255 120.200 0.051 0.000 2.313 142 E HA 0.399 4.750 4.350 0.002 0.000 0.272 142 E C -0.991 175.645 176.600 0.059 0.000 1.038 142 E CA -0.467 55.963 56.400 0.051 0.000 0.863 142 E CB 1.410 31.152 29.700 0.070 0.000 1.060 142 E HN 0.659 nan 8.360 nan 0.000 0.402 143 T N -0.046 114.526 114.554 0.031 0.000 2.906 143 T HA 0.678 5.029 4.350 0.002 0.000 0.295 143 T C -0.219 174.479 174.700 -0.003 0.000 1.075 143 T CA -0.771 61.343 62.100 0.024 0.000 1.005 143 T CB 1.453 70.330 68.868 0.015 0.000 1.136 143 T HN 0.567 nan 8.240 nan 0.000 0.498 144 A N 1.710 124.509 122.820 -0.035 0.000 2.483 144 A HA 0.437 4.758 4.320 0.002 0.000 0.238 144 A C 0.759 178.312 177.584 -0.051 0.000 1.070 144 A CA -0.461 51.530 52.037 -0.077 0.000 0.770 144 A CB -0.152 18.774 19.000 -0.123 0.000 1.008 144 A HN 0.984 nan 8.150 nan 0.000 0.497 145 R N 1.515 121.983 120.500 -0.054 0.000 2.473 145 R HA 0.180 4.521 4.340 0.002 0.000 0.315 145 R C 0.093 176.365 176.300 -0.046 0.000 0.972 145 R CA 0.924 56.998 56.100 -0.042 0.000 1.047 145 R CB -0.050 30.224 30.300 -0.044 0.000 0.932 145 R HN 0.918 nan 8.270 nan 0.000 0.411 146 S N 2.489 118.168 115.700 -0.034 0.000 2.851 146 S HA 0.910 5.381 4.470 0.002 0.000 0.317 146 S C -0.279 174.304 174.600 -0.027 0.000 1.144 146 S CA -0.498 57.685 58.200 -0.029 0.000 0.862 146 S CB 2.059 65.247 63.200 -0.019 0.000 1.259 146 S HN 0.726 nan 8.310 nan 0.000 0.564 147 G N -0.217 108.569 108.800 -0.023 0.000 2.691 147 G HA2 0.513 4.474 3.960 0.002 0.000 0.298 147 G HA3 0.513 4.474 3.960 0.002 0.000 0.298 147 G C -1.569 173.310 174.900 -0.036 0.000 1.471 147 G CA -0.667 44.417 45.100 -0.027 0.000 0.912 147 G HN 0.569 nan 8.290 nan 0.000 0.553 148 I N 0.881 121.414 120.570 -0.062 0.000 2.566 148 I HA 0.733 4.904 4.170 0.002 0.000 0.303 148 I C 0.473 176.477 176.117 -0.189 0.000 0.983 148 I CA -0.643 60.580 61.300 -0.128 0.000 1.235 148 I CB 1.731 39.640 38.000 -0.151 0.000 1.386 148 I HN 0.730 nan 8.210 nan 0.000 0.494 149 A N 4.415 127.073 122.820 -0.270 0.000 2.455 149 A HA 0.584 4.905 4.320 0.002 0.000 0.300 149 A C -0.689 176.696 177.584 -0.332 0.000 1.040 149 A CA -0.427 51.470 52.037 -0.233 0.000 0.697 149 A CB 0.788 19.751 19.000 -0.063 0.000 1.265 149 A HN 0.872 nan 8.150 nan 0.000 0.407 150 H N 0.415 119.500 119.070 0.025 0.000 2.986 150 H HA 0.289 4.845 4.556 0.002 0.000 0.267 150 H C 0.572 175.911 175.328 0.018 0.000 1.072 150 H CA 0.907 56.966 56.048 0.019 0.000 1.202 150 H CB 1.110 30.883 29.762 0.018 0.000 1.535 150 H HN 0.801 nan 8.280 nan 0.000 0.522 151 T N -3.610 111.001 114.554 0.096 0.000 2.821 151 T HA 0.150 4.501 4.350 0.002 0.000 0.306 151 T C 0.746 175.477 174.700 0.052 0.000 1.313 151 T CA -0.916 61.225 62.100 0.070 0.000 1.012 151 T CB 1.638 70.550 68.868 0.074 0.000 1.298 151 T HN -0.035 nan 8.240 nan 0.000 0.502 152 M N 1.091 120.720 119.600 0.050 0.000 2.149 152 M HA 0.015 4.496 4.480 0.002 0.000 0.261 152 M C 2.104 178.464 176.300 0.100 0.000 1.064 152 M CA 2.433 57.771 55.300 0.063 0.000 1.102 152 M CB -0.832 31.803 32.600 0.059 0.000 1.369 152 M HN 0.917 nan 8.290 nan 0.000 0.408 153 E N -0.283 119.963 120.200 0.078 0.000 2.051 153 E HA -0.234 4.117 4.350 0.002 0.000 0.192 153 E C 1.773 178.416 176.600 0.072 0.000 0.991 153 E CA 1.850 58.293 56.400 0.073 0.000 0.799 153 E CB -0.285 29.447 29.700 0.054 0.000 0.748 153 E HN 0.692 nan 8.360 nan 0.000 0.449 154 E N 0.458 120.696 120.200 0.063 0.000 2.051 154 E HA -0.223 4.128 4.350 0.002 0.000 0.192 154 E C 2.174 178.816 176.600 0.070 0.000 0.991 154 E CA 1.024 57.453 56.400 0.049 0.000 0.799 154 E CB -0.275 29.445 29.700 0.033 0.000 0.748 154 E HN 0.442 nan 8.360 nan 0.000 0.449 155 A N 1.387 124.271 122.820 0.107 0.000 1.903 155 A HA -0.237 4.084 4.320 0.002 0.000 0.219 155 A C 2.236 180.027 177.584 0.346 0.000 1.191 155 A CA 1.507 53.674 52.037 0.218 0.000 0.638 155 A CB -0.922 18.172 19.000 0.157 0.000 0.823 155 A HN 0.173 nan 8.150 nan 0.000 0.451 156 L N -0.963 120.440 121.223 0.300 0.000 2.079 156 L HA -0.236 4.105 4.340 0.002 0.000 0.210 156 L C 3.074 179.926 176.870 -0.030 0.000 1.081 156 L CA 1.072 56.003 54.840 0.152 0.000 0.752 156 L CB -0.495 41.647 42.059 0.139 0.000 0.896 156 L HN 0.474 nan 8.230 nan 0.000 0.433 157 A N -0.474 122.349 122.820 0.005 0.000 1.902 157 A HA -0.136 4.185 4.320 0.002 0.000 0.217 157 A C 2.316 179.854 177.584 -0.077 0.000 1.181 157 A CA 1.692 53.707 52.037 -0.038 0.000 0.623 157 A CB -0.753 18.241 19.000 -0.010 0.000 0.818 157 A HN 0.193 nan 8.150 nan 0.000 0.443 158 V N 0.005 119.891 119.914 -0.046 0.000 2.343 158 V HA -0.263 3.858 4.120 0.002 0.000 0.247 158 V C 3.054 179.049 176.094 -0.166 0.000 1.051 158 V CA 1.921 64.183 62.300 -0.063 0.000 1.036 158 V CB -1.406 30.421 31.823 0.007 0.000 0.654 158 V HN 0.618 nan 8.190 nan 0.000 0.451 159 A N 0.361 123.012 122.820 -0.281 0.000 1.865 159 A HA -0.213 4.108 4.320 0.002 0.000 0.217 159 A C 2.476 179.729 177.584 -0.551 0.000 1.191 159 A CA 2.482 54.146 52.037 -0.623 0.000 0.623 159 A CB -1.067 17.212 19.000 -1.202 0.000 0.826 159 A HN 0.624 nan 8.150 nan 0.000 0.444 160 A N -0.520 122.066 122.820 -0.389 0.000 1.986 160 A HA -0.258 4.063 4.320 0.002 0.000 0.220 160 A C 1.843 179.293 177.584 -0.224 0.000 1.171 160 A CA 2.452 54.319 52.037 -0.283 0.000 0.640 160 A CB -0.689 18.206 19.000 -0.174 0.000 0.811 160 A HN 0.584 nan 8.150 nan 0.000 0.451 161 D N -0.654 119.631 120.400 -0.192 0.000 2.085 161 D HA -0.105 4.536 4.640 0.002 0.000 0.199 161 D C 1.971 178.179 176.300 -0.153 0.000 0.981 161 D CA 2.125 56.041 54.000 -0.141 0.000 0.834 161 D CB -0.109 40.628 40.800 -0.104 0.000 0.992 161 D HN 0.395 nan 8.370 nan 0.000 0.457 162 V N -2.464 117.339 119.914 -0.186 0.000 3.406 162 V HA 0.383 4.504 4.120 0.002 0.000 0.263 162 V C 1.251 177.213 176.094 -0.220 0.000 1.172 162 V CA 0.646 62.844 62.300 -0.170 0.000 1.140 162 V CB -0.876 30.867 31.823 -0.134 0.000 0.784 162 V HN 0.330 nan 8.190 nan 0.000 0.467 163 G N 0.446 109.032 108.800 -0.357 0.000 2.806 163 G HA2 -0.214 3.747 3.960 0.002 0.000 0.236 163 G HA3 -0.214 3.747 3.960 0.002 0.000 0.236 163 G C -0.742 173.864 174.900 -0.490 0.000 1.387 163 G CA 0.201 45.023 45.100 -0.463 0.000 0.884 163 G HN 0.549 nan 8.290 nan 0.000 0.560 164 F N 1.243 121.139 119.950 -0.090 0.000 2.470 164 F HA 0.653 5.181 4.527 0.002 0.000 0.329 164 F C -0.856 174.928 175.800 -0.027 0.000 1.072 164 F CA -1.742 56.214 58.000 -0.074 0.000 0.989 164 F CB 1.091 40.066 39.000 -0.041 0.000 1.193 164 F HN 0.495 nan 8.300 nan 0.000 0.481 165 P HA 0.412 nan 4.420 nan 0.000 0.276 165 P C -1.148 176.192 177.300 0.066 0.000 1.252 165 P CA -0.419 62.756 63.100 0.125 0.000 0.802 165 P CB 1.030 32.570 31.700 -0.267 0.000 1.035 166 C N -0.378 118.982 119.300 0.101 0.000 2.898 166 C HA 0.750 5.211 4.460 0.002 0.000 0.304 166 C C -0.539 174.472 174.990 0.035 0.000 1.237 166 C CA -0.973 58.077 59.018 0.053 0.000 1.529 166 C CB 0.163 27.933 27.740 0.050 0.000 2.021 166 C HN 0.386 nan 8.230 nan 0.000 0.474 167 I N 2.264 122.838 120.570 0.007 0.000 2.336 167 I HA 0.525 4.696 4.170 0.002 0.000 0.292 167 I C -0.083 176.049 176.117 0.024 0.000 0.991 167 I CA -0.439 60.857 61.300 -0.006 0.000 1.227 167 I CB 1.145 39.120 38.000 -0.042 0.000 1.366 167 I HN 0.572 nan 8.210 nan 0.000 0.466 168 I N 7.090 127.669 120.570 0.015 0.000 2.378 168 I HA 0.503 4.674 4.170 0.002 0.000 0.291 168 I C -0.270 175.833 176.117 -0.024 0.000 0.992 168 I CA -0.407 60.891 61.300 -0.003 0.000 1.154 168 I CB 0.834 38.806 38.000 -0.046 0.000 1.315 168 I HN 0.418 nan 8.210 nan 0.000 0.448 169 R N 6.426 126.910 120.500 -0.028 0.000 2.500 169 R HA 0.451 4.792 4.340 0.002 0.000 0.299 169 R C -2.818 173.462 176.300 -0.034 0.000 1.038 169 R CA -1.838 54.242 56.100 -0.033 0.000 0.903 169 R CB 1.478 31.753 30.300 -0.042 0.000 1.177 169 R HN 0.218 nan 8.270 nan 0.000 0.455 170 P HA 0.085 nan 4.420 nan 0.000 0.274 170 P C -0.391 176.908 177.300 -0.000 0.000 1.231 170 P CA -0.229 62.866 63.100 -0.009 0.000 0.790 170 P CB 0.873 32.570 31.700 -0.004 0.000 0.951 171 S N 1.294 117.020 115.700 0.044 0.000 2.584 171 S HA 0.346 4.817 4.470 0.002 0.000 0.273 171 S C -0.096 174.600 174.600 0.160 0.000 1.311 171 S CA -0.081 58.154 58.200 0.059 0.000 1.034 171 S CB -0.715 62.583 63.200 0.164 0.000 0.939 171 S HN 0.430 nan 8.310 nan 0.000 0.513 172 F N 0.194 120.124 119.950 -0.034 0.000 3.080 172 F HA -0.218 4.310 4.527 0.002 0.000 0.292 172 F C 0.843 176.617 175.800 -0.044 0.000 0.891 172 F CA 0.893 58.870 58.000 -0.039 0.000 1.086 172 F CB -2.183 36.798 39.000 -0.032 0.000 1.095 172 F HN 0.671 nan 8.300 nan 0.000 0.633 173 T N -1.978 112.592 114.554 0.027 0.000 2.864 173 T HA 0.885 5.236 4.350 0.002 0.000 0.299 173 T C -0.301 174.380 174.700 -0.032 0.000 1.166 173 T CA -0.309 61.794 62.100 0.005 0.000 1.007 173 T CB 2.973 71.842 68.868 0.002 0.000 1.219 173 T HN 0.515 nan 8.240 nan 0.000 0.506 174 M N -0.441 119.146 119.600 -0.021 0.000 2.755 174 M HA 0.853 5.334 4.480 0.002 0.000 0.273 174 M C 0.816 177.107 176.300 -0.014 0.000 1.278 174 M CA 0.350 55.651 55.300 0.001 0.000 0.819 174 M CB 0.489 33.092 32.600 0.005 0.000 1.694 174 M HN 1.651 nan 8.290 nan 0.000 0.460 175 G N -0.689 108.115 108.800 0.008 0.000 2.166 175 G HA2 0.158 4.118 3.960 0.002 0.000 0.260 175 G HA3 0.158 4.118 3.960 0.002 0.000 0.260 175 G C 1.201 175.861 174.900 -0.400 0.000 0.986 175 G CA 0.946 45.864 45.100 -0.303 0.000 0.683 175 G HN 2.604 nan 8.290 nan 0.000 0.527 176 G N -1.519 107.220 108.800 -0.102 0.000 2.153 176 G HA2 -0.077 3.884 3.960 0.002 0.000 0.252 176 G HA3 -0.077 3.884 3.960 0.002 0.000 0.252 176 G C 0.471 175.330 174.900 -0.067 0.000 0.994 176 G CA 0.852 45.941 45.100 -0.017 0.000 0.698 176 G HN 1.783 nan 8.290 nan 0.000 0.521 177 S N 0.134 115.785 115.700 -0.081 0.000 2.509 177 S HA 0.442 4.913 4.470 0.002 0.000 0.287 177 S C 1.618 176.185 174.600 -0.055 0.000 1.248 177 S CA 1.170 59.323 58.200 -0.080 0.000 1.089 177 S CB 0.861 64.018 63.200 -0.071 0.000 0.900 177 S HN 2.086 nan 8.310 nan 0.000 0.496 178 G N 2.595 111.357 108.800 -0.062 0.000 2.176 178 G HA2 -0.166 3.795 3.960 0.002 0.000 0.253 178 G HA3 -0.166 3.795 3.960 0.002 0.000 0.253 178 G C 0.336 175.204 174.900 -0.053 0.000 0.979 178 G CA -0.139 44.929 45.100 -0.054 0.000 0.641 178 G HN 1.069 nan 8.290 nan 0.000 0.530 179 G N -1.253 107.521 108.800 -0.044 0.000 2.795 179 G HA2 1.021 4.982 3.960 0.002 0.000 0.267 179 G HA3 1.021 4.982 3.960 0.002 0.000 0.267 179 G C 0.289 175.174 174.900 -0.026 0.000 1.362 179 G CA 0.230 45.308 45.100 -0.036 0.000 1.048 179 G HN 1.744 nan 8.290 nan 0.000 0.547 180 G N -1.860 106.930 108.800 -0.016 0.000 2.324 180 G HA2 0.393 4.354 3.960 0.002 0.000 0.293 180 G HA3 0.393 4.354 3.960 0.002 0.000 0.293 180 G C -1.743 173.145 174.900 -0.020 0.000 1.297 180 G CA -0.869 44.229 45.100 -0.004 0.000 0.853 180 G HN 0.686 nan 8.290 nan 0.000 0.535 181 I N 1.283 121.828 120.570 -0.042 0.000 2.339 181 I HA 0.584 4.755 4.170 0.002 0.000 0.290 181 I C 0.612 176.600 176.117 -0.215 0.000 0.994 181 I CA -0.700 60.496 61.300 -0.173 0.000 1.191 181 I CB 1.868 39.688 38.000 -0.301 0.000 1.343 181 I HN 0.726 nan 8.210 nan 0.000 0.458 182 A N 5.711 128.457 122.820 -0.123 0.000 2.252 182 A HA 0.447 4.768 4.320 0.002 0.000 0.309 182 A C -0.312 177.095 177.584 -0.295 0.000 1.285 182 A CA -0.201 51.803 52.037 -0.054 0.000 0.900 182 A CB 0.022 19.225 19.000 0.338 0.000 1.157 182 A HN 0.745 nan 8.150 nan 0.000 0.536 183 Y N 1.676 121.854 120.300 -0.204 0.000 2.510 183 Y HA 0.090 4.641 4.550 0.002 0.000 0.273 183 Y C 0.898 176.415 175.900 -0.639 0.000 1.119 183 Y CA 0.778 58.724 58.100 -0.255 0.000 1.286 183 Y CB 0.233 38.617 38.460 -0.127 0.000 1.061 183 Y HN 0.903 nan 8.280 nan 0.000 0.542 184 N N -2.402 115.846 118.700 -0.754 0.000 2.934 184 N HA 0.205 4.946 4.740 0.002 0.000 0.253 184 N C 0.315 175.337 175.510 -0.813 0.000 1.466 184 N CA -1.002 51.486 53.050 -0.935 0.000 0.858 184 N CB 0.627 38.930 38.487 -0.308 0.000 1.459 184 N HN -0.208 nan 8.380 nan 0.000 0.532 185 R N -0.180 120.106 120.500 -0.356 0.000 2.081 185 R HA -0.100 4.241 4.340 0.002 0.000 0.235 185 R C 1.319 177.689 176.300 0.116 0.000 1.131 185 R CA 1.628 57.775 56.100 0.078 0.000 0.960 185 R CB -0.162 30.241 30.300 0.170 0.000 0.856 185 R HN 0.826 nan 8.270 nan 0.000 0.436 186 E N 0.490 120.707 120.200 0.030 0.000 2.058 186 E HA -0.219 4.132 4.350 0.002 0.000 0.194 186 E C 1.646 178.274 176.600 0.046 0.000 0.997 186 E CA 1.627 58.053 56.400 0.043 0.000 0.801 186 E CB 0.062 29.772 29.700 0.017 0.000 0.746 186 E HN 0.461 nan 8.360 nan 0.000 0.450 187 E N -0.203 120.005 120.200 0.014 0.000 2.077 187 E HA -0.203 4.148 4.350 0.002 0.000 0.193 187 E C 1.959 178.597 176.600 0.062 0.000 0.989 187 E CA 0.918 57.333 56.400 0.024 0.000 0.800 187 E CB -0.298 29.409 29.700 0.012 0.000 0.746 187 E HN 0.271 nan 8.360 nan 0.000 0.452 188 F N 2.509 122.433 119.950 -0.044 0.000 2.065 188 F HA -0.222 4.306 4.527 0.001 0.000 0.298 188 F C 2.090 177.918 175.800 0.046 0.000 1.112 188 F CA 1.767 59.793 58.000 0.043 0.000 1.212 188 F CB -0.034 39.071 39.000 0.174 0.000 0.975 188 F HN -0.065 nan 8.300 nan 0.000 0.476 189 E N -0.362 119.899 120.200 0.101 0.000 2.106 189 E HA -0.257 4.094 4.350 0.002 0.000 0.192 189 E C 2.139 178.695 176.600 -0.074 0.000 0.984 189 E CA 1.215 57.610 56.400 -0.007 0.000 0.806 189 E CB -0.475 29.277 29.700 0.087 0.000 0.750 189 E HN 0.633 nan 8.360 nan 0.000 0.458 190 E N 1.290 121.465 120.200 -0.042 0.000 2.051 190 E HA -0.192 4.159 4.350 0.002 0.000 0.192 190 E C 2.131 178.676 176.600 -0.090 0.000 0.991 190 E CA 0.866 57.236 56.400 -0.050 0.000 0.799 190 E CB -0.034 29.653 29.700 -0.021 0.000 0.748 190 E HN 0.217 nan 8.360 nan 0.000 0.449 191 I N 0.566 121.064 120.570 -0.121 0.000 2.252 191 I HA -0.288 3.883 4.170 0.002 0.000 0.245 191 I C 2.657 178.663 176.117 -0.184 0.000 1.102 191 I CA 0.573 61.791 61.300 -0.135 0.000 1.385 191 I CB -0.222 37.702 38.000 -0.126 0.000 1.064 191 I HN 0.316 nan 8.210 nan 0.000 0.414 192 C N 0.654 119.773 119.300 -0.303 0.000 2.429 192 C HA -0.152 4.309 4.460 0.002 0.000 0.277 192 C C 3.210 178.103 174.990 -0.162 0.000 1.262 192 C CA 1.041 59.874 59.018 -0.308 0.000 1.733 192 C CB -1.149 26.279 27.740 -0.521 0.000 2.010 192 C HN 0.602 nan 8.230 nan 0.000 0.483 193 A N 0.554 123.299 122.820 -0.125 0.000 1.902 193 A HA -0.247 4.074 4.320 0.002 0.000 0.217 193 A C 2.179 179.724 177.584 -0.065 0.000 1.181 193 A CA 2.058 54.055 52.037 -0.066 0.000 0.623 193 A CB -0.642 18.332 19.000 -0.044 0.000 0.818 193 A HN 0.681 nan 8.150 nan 0.000 0.443 194 R N -0.544 119.905 120.500 -0.085 0.000 2.081 194 R HA -0.078 4.263 4.340 0.002 0.000 0.235 194 R C 2.127 178.391 176.300 -0.061 0.000 1.131 194 R CA 1.875 57.927 56.100 -0.079 0.000 0.960 194 R CB -0.733 29.516 30.300 -0.084 0.000 0.856 194 R HN 0.395 nan 8.270 nan 0.000 0.436 195 G N 0.316 109.075 108.800 -0.068 0.000 2.464 195 G HA2 -0.109 3.852 3.960 0.002 0.000 0.217 195 G HA3 -0.109 3.852 3.960 0.002 0.000 0.217 195 G C 1.401 176.285 174.900 -0.026 0.000 1.138 195 G CA 0.258 45.329 45.100 -0.049 0.000 0.793 195 G HN 0.225 nan 8.290 nan 0.000 0.539 196 L N 0.232 121.437 121.223 -0.030 0.000 2.017 196 L HA -0.053 4.288 4.340 0.002 0.000 0.208 196 L C 2.523 179.400 176.870 0.012 0.000 1.073 196 L CA 1.417 56.257 54.840 -0.000 0.000 0.745 196 L CB -0.243 41.819 42.059 0.004 0.000 0.894 196 L HN 0.113 nan 8.230 nan 0.000 0.432 197 D N -0.379 120.023 120.400 0.003 0.000 2.178 197 D HA -0.186 4.455 4.640 0.002 0.000 0.201 197 D C 1.963 178.269 176.300 0.011 0.000 0.980 197 D CA 0.882 54.890 54.000 0.013 0.000 0.842 197 D CB 0.163 40.967 40.800 0.007 0.000 0.948 197 D HN 0.083 nan 8.370 nan 0.000 0.472 198 L N -0.127 121.095 121.223 -0.001 0.000 2.162 198 L HA 0.160 4.501 4.340 0.002 0.000 0.205 198 L C 0.776 177.654 176.870 0.014 0.000 1.086 198 L CA 0.573 55.413 54.840 0.000 0.000 0.778 198 L CB -0.605 41.444 42.059 -0.016 0.000 0.928 198 L HN -0.168 nan 8.230 nan 0.000 0.446 199 S N 0.611 116.325 115.700 0.023 0.000 2.629 199 S HA 0.027 4.497 4.470 0.002 0.000 0.302 199 S C -1.425 173.201 174.600 0.044 0.000 1.244 199 S CA -0.843 57.387 58.200 0.051 0.000 1.098 199 S CB 0.343 63.582 63.200 0.065 0.000 0.858 199 S HN 0.152 nan 8.310 nan 0.000 0.502 200 P HA -0.053 nan 4.420 nan 0.000 0.223 200 P C 1.009 178.265 177.300 -0.074 0.000 1.144 200 P CA 1.141 64.222 63.100 -0.033 0.000 0.783 200 P CB -0.080 31.567 31.700 -0.089 0.000 0.771 201 T N -5.652 108.898 114.554 -0.007 0.000 3.129 201 T HA 0.226 4.577 4.350 0.002 0.000 0.267 201 T C 0.609 175.342 174.700 0.055 0.000 1.018 201 T CA -0.580 61.515 62.100 -0.007 0.000 0.903 201 T CB -0.549 68.340 68.868 0.034 0.000 1.067 201 T HN -0.070 nan 8.240 nan 0.000 0.549 202 K N 0.891 121.329 120.400 0.063 0.000 3.278 202 K HA -0.205 4.116 4.320 0.002 0.000 0.270 202 K C -0.613 176.091 176.600 0.174 0.000 0.955 202 K CA 0.696 57.034 56.287 0.085 0.000 0.723 202 K CB -1.069 31.466 32.500 0.058 0.000 1.382 202 K HN 0.817 nan 8.250 nan 0.000 0.461 203 E N 0.798 121.094 120.200 0.161 0.000 2.331 203 E HA 0.459 4.810 4.350 0.002 0.000 0.275 203 E C -1.155 175.473 176.600 0.047 0.000 0.895 203 E CA -0.855 55.643 56.400 0.163 0.000 0.753 203 E CB 1.193 31.039 29.700 0.242 0.000 1.216 203 E HN 0.225 nan 8.360 nan 0.000 0.434 204 L N 3.471 124.677 121.223 -0.029 0.000 2.354 204 L HA 0.549 4.890 4.340 0.002 0.000 0.269 204 L C -1.015 175.821 176.870 -0.058 0.000 1.005 204 L CA -1.212 53.603 54.840 -0.042 0.000 0.819 204 L CB 1.739 43.764 42.059 -0.057 0.000 1.311 204 L HN 0.444 nan 8.230 nan 0.000 0.423 205 L N 3.483 124.685 121.223 -0.035 0.000 2.313 205 L HA 0.610 4.951 4.340 0.002 0.000 0.283 205 L C -0.907 175.958 176.870 -0.009 0.000 1.013 205 L CA 0.043 54.867 54.840 -0.026 0.000 0.816 205 L CB 1.376 43.424 42.059 -0.019 0.000 1.236 205 L HN 0.367 nan 8.230 nan 0.000 0.419 206 I N 4.426 125.001 120.570 0.008 0.000 2.389 206 I HA 0.405 4.576 4.170 0.002 0.000 0.288 206 I C -0.925 175.199 176.117 0.012 0.000 0.999 206 I CA -0.325 61.002 61.300 0.046 0.000 1.129 206 I CB 1.637 39.713 38.000 0.127 0.000 1.288 206 I HN 0.605 nan 8.210 nan 0.000 0.444 207 D N 4.453 124.853 120.400 -0.001 0.000 2.340 207 D HA 0.305 4.946 4.640 0.002 0.000 0.240 207 D C -0.581 175.687 176.300 -0.053 0.000 1.001 207 D CA -0.743 53.235 54.000 -0.036 0.000 0.888 207 D CB 1.230 41.999 40.800 -0.052 0.000 1.310 207 D HN 0.560 nan 8.370 nan 0.000 0.474 208 E N 0.001 120.154 120.200 -0.078 0.000 2.408 208 E HA 0.193 4.544 4.350 0.002 0.000 0.259 208 E C -0.337 176.194 176.600 -0.115 0.000 1.110 208 E CA -0.609 55.736 56.400 -0.092 0.000 0.929 208 E CB 0.918 30.562 29.700 -0.093 0.000 0.971 208 E HN 0.182 nan 8.360 nan 0.000 0.438 209 S N 1.518 117.155 115.700 -0.104 0.000 2.564 209 S HA 0.155 4.626 4.470 0.002 0.000 0.278 209 S C 0.279 174.746 174.600 -0.222 0.000 1.333 209 S CA -0.542 57.583 58.200 -0.125 0.000 1.048 209 S CB 0.100 63.261 63.200 -0.064 0.000 0.900 209 S HN 0.558 nan 8.310 nan 0.000 0.505 210 L N 4.704 125.746 121.223 -0.303 0.000 3.333 210 L HA 0.415 4.756 4.340 0.002 0.000 0.299 210 L C -0.247 176.437 176.870 -0.310 0.000 1.256 210 L CA -0.258 54.206 54.840 -0.627 0.000 1.037 210 L CB 0.140 41.650 42.059 -0.915 0.000 1.423 210 L HN 0.594 nan 8.230 nan 0.000 0.605 211 I N 1.374 121.881 120.570 -0.105 0.000 2.826 211 I HA -0.034 4.137 4.170 0.002 0.000 0.295 211 I C 1.529 177.712 176.117 0.110 0.000 1.213 211 I CA 1.577 62.886 61.300 0.015 0.000 1.436 211 I CB 0.379 38.408 38.000 0.048 0.000 1.348 211 I HN 0.476 nan 8.210 nan 0.000 0.570 212 G N 4.395 113.275 108.800 0.135 0.000 2.258 212 G HA2 -0.223 3.738 3.960 0.002 0.000 0.233 212 G HA3 -0.223 3.738 3.960 0.002 0.000 0.233 212 G C -0.058 175.027 174.900 0.309 0.000 1.006 212 G CA -0.597 44.602 45.100 0.166 0.000 0.620 212 G HN 0.488 nan 8.290 nan 0.000 0.511 213 W N 2.095 123.428 121.300 0.055 0.000 2.079 213 W HA 0.595 5.256 4.660 0.002 0.000 0.354 213 W C 1.138 177.705 176.519 0.079 0.000 1.302 213 W CA -0.541 56.855 57.345 0.085 0.000 1.281 213 W CB 0.335 29.850 29.460 0.092 0.000 1.165 213 W HN 0.058 nan 8.180 nan 0.000 0.603 214 K N 1.291 121.879 120.400 0.314 0.000 2.258 214 K HA 0.141 4.462 4.320 0.002 0.000 0.264 214 K C -0.360 176.349 176.600 0.181 0.000 1.007 214 K CA -0.364 56.030 56.287 0.180 0.000 0.941 214 K CB 0.775 33.393 32.500 0.196 0.000 0.966 214 K HN 0.376 nan 8.250 nan 0.000 0.480 215 E N 2.111 122.292 120.200 -0.033 0.000 2.176 215 E HA 0.264 4.615 4.350 0.002 0.000 0.267 215 E C -1.636 174.857 176.600 -0.177 0.000 0.893 215 E CA -0.531 55.871 56.400 0.004 0.000 0.761 215 E CB 0.759 30.465 29.700 0.009 0.000 1.133 215 E HN 0.361 nan 8.360 nan 0.000 0.409 216 Y N 1.576 121.979 120.300 0.172 0.000 2.576 216 Y HA 0.457 5.008 4.550 0.002 0.000 0.346 216 Y C -0.240 175.783 175.900 0.204 0.000 1.018 216 Y CA -0.846 57.357 58.100 0.172 0.000 1.050 216 Y CB 2.348 40.896 38.460 0.146 0.000 1.280 216 Y HN 0.441 nan 8.280 nan 0.000 0.474 217 E N 2.055 122.455 120.200 0.334 0.000 2.340 217 E HA 0.616 4.966 4.350 0.002 0.000 0.273 217 E C -1.427 175.304 176.600 0.219 0.000 0.891 217 E CA -0.959 55.582 56.400 0.236 0.000 0.757 217 E CB 2.975 32.747 29.700 0.120 0.000 1.231 217 E HN 0.483 nan 8.360 nan 0.000 0.439 218 M N 1.591 121.308 119.600 0.195 0.000 2.457 218 M HA 0.320 4.801 4.480 0.002 0.000 0.300 218 M C -1.066 175.275 176.300 0.069 0.000 1.141 218 M CA -0.846 54.528 55.300 0.123 0.000 0.901 218 M CB 2.252 34.920 32.600 0.114 0.000 1.687 218 M HN 0.266 nan 8.290 nan 0.000 0.449 219 E N 2.994 123.209 120.200 0.025 0.000 2.109 219 E HA 0.498 4.849 4.350 0.002 0.000 0.278 219 E C -1.195 175.375 176.600 -0.049 0.000 0.954 219 E CA -0.334 56.063 56.400 -0.006 0.000 0.779 219 E CB 1.916 31.606 29.700 -0.017 0.000 1.093 219 E HN 0.376 nan 8.360 nan 0.000 0.401 220 V N 2.175 122.071 119.914 -0.030 0.000 2.715 220 V HA 0.557 4.678 4.120 0.002 0.000 0.310 220 V C 0.071 176.143 176.094 -0.038 0.000 1.054 220 V CA -0.987 61.287 62.300 -0.043 0.000 0.928 220 V CB 2.094 33.915 31.823 -0.004 0.000 1.007 220 V HN 0.322 nan 8.190 nan 0.000 0.437 221 V N 3.534 123.419 119.914 -0.050 0.000 2.656 221 V HA 0.664 4.785 4.120 0.002 0.000 0.307 221 V C -0.275 175.827 176.094 0.014 0.000 1.051 221 V CA -0.699 61.596 62.300 -0.009 0.000 0.893 221 V CB 1.982 33.802 31.823 -0.007 0.000 0.999 221 V HN 0.934 nan 8.190 nan 0.000 0.426 222 R N 2.122 122.643 120.500 0.035 0.000 2.744 222 R HA 0.667 5.008 4.340 0.002 0.000 0.279 222 R C -1.650 174.683 176.300 0.054 0.000 0.977 222 R CA -0.513 55.611 56.100 0.039 0.000 0.906 222 R CB 2.148 32.467 30.300 0.032 0.000 1.197 222 R HN 0.981 nan 8.270 nan 0.000 0.463 223 D N 1.051 121.485 120.400 0.057 0.000 2.414 223 D HA 0.133 4.774 4.640 0.002 0.000 0.241 223 D C 0.359 176.690 176.300 0.051 0.000 1.008 223 D CA -0.833 53.206 54.000 0.065 0.000 1.001 223 D CB 1.159 42.009 40.800 0.083 0.000 1.277 223 D HN 0.588 nan 8.370 nan 0.000 0.538 224 K N 0.021 120.451 120.400 0.051 0.000 2.209 224 K HA -0.131 4.190 4.320 0.002 0.000 0.204 224 K C 0.490 177.111 176.600 0.035 0.000 1.048 224 K CA 0.933 57.243 56.287 0.039 0.000 0.940 224 K CB -0.391 32.130 32.500 0.035 0.000 0.729 224 K HN 0.139 nan 8.250 nan 0.000 0.451 225 N N 1.246 119.972 118.700 0.042 0.000 2.521 225 N HA -0.091 4.650 4.740 0.002 0.000 0.188 225 N C -0.375 175.157 175.510 0.036 0.000 1.146 225 N CA 1.171 54.244 53.050 0.039 0.000 0.893 225 N CB -0.074 38.440 38.487 0.045 0.000 0.975 225 N HN 0.411 nan 8.380 nan 0.000 0.451 226 D N -1.134 119.288 120.400 0.036 0.000 3.059 226 D HA -0.158 4.483 4.640 0.002 0.000 0.208 226 D C -0.993 175.328 176.300 0.035 0.000 1.079 226 D CA 0.361 54.380 54.000 0.032 0.000 0.986 226 D CB -1.499 39.316 40.800 0.025 0.000 1.090 226 D HN 0.136 nan 8.370 nan 0.000 0.428 227 N N 0.516 119.242 118.700 0.044 0.000 2.492 227 N HA 0.270 5.011 4.740 0.002 0.000 0.262 227 N C -0.362 175.174 175.510 0.043 0.000 1.202 227 N CA 0.262 53.341 53.050 0.048 0.000 0.926 227 N CB 1.200 39.725 38.487 0.063 0.000 1.078 227 N HN 0.307 nan 8.380 nan 0.000 0.454 228 C N 3.617 122.938 119.300 0.034 0.000 2.547 228 C HA 0.739 5.200 4.460 0.002 0.000 0.313 228 C C -0.460 174.533 174.990 0.006 0.000 1.191 228 C CA -0.731 58.299 59.018 0.020 0.000 1.474 228 C CB -0.382 27.367 27.740 0.015 0.000 2.081 228 C HN 0.736 nan 8.230 nan 0.000 0.476 229 I N 3.260 123.816 120.570 -0.023 0.000 2.730 229 I HA 0.661 4.832 4.170 0.002 0.000 0.298 229 I C -1.179 174.870 176.117 -0.113 0.000 1.089 229 I CA -0.802 60.456 61.300 -0.070 0.000 1.041 229 I CB 1.639 39.571 38.000 -0.113 0.000 1.235 229 I HN 0.245 nan 8.210 nan 0.000 0.423 230 I N 5.250 125.751 120.570 -0.116 0.000 2.297 230 I HA 0.177 4.348 4.170 0.002 0.000 0.291 230 I C 0.991 176.982 176.117 -0.210 0.000 1.033 230 I CA -0.375 60.858 61.300 -0.111 0.000 1.253 230 I CB 1.322 39.300 38.000 -0.037 0.000 1.396 230 I HN 0.578 nan 8.210 nan 0.000 0.476 231 V N 5.191 124.935 119.914 -0.283 0.000 2.788 231 V HA -0.009 4.112 4.120 0.002 0.000 0.251 231 V C 0.710 176.672 176.094 -0.220 0.000 1.068 231 V CA 0.910 62.946 62.300 -0.441 0.000 1.090 231 V CB 0.413 31.854 31.823 -0.637 0.000 0.710 231 V HN 0.874 nan 8.190 nan 0.000 0.467 232 C N -0.312 118.928 119.300 -0.100 0.000 3.241 232 C HA 0.602 5.063 4.460 0.002 0.000 0.348 232 C C -0.329 174.688 174.990 0.046 0.000 1.180 232 C CA -0.417 58.592 59.018 -0.015 0.000 1.273 232 C CB 1.329 29.067 27.740 -0.002 0.000 1.620 232 C HN 0.458 nan 8.230 nan 0.000 0.510 233 S N 3.731 119.491 115.700 0.100 0.000 2.568 233 S HA 0.908 5.379 4.470 0.002 0.000 0.302 233 S C -1.088 173.609 174.600 0.162 0.000 1.082 233 S CA -0.613 57.681 58.200 0.157 0.000 1.009 233 S CB 1.381 64.744 63.200 0.271 0.000 1.069 233 S HN 0.736 nan 8.310 nan 0.000 0.500 234 I N 1.012 121.702 120.570 0.201 0.000 2.571 234 I HA 0.389 4.560 4.170 0.002 0.000 0.289 234 I C -0.696 175.553 176.117 0.220 0.000 1.115 234 I CA -0.328 61.080 61.300 0.180 0.000 1.045 234 I CB 2.287 40.362 38.000 0.124 0.000 1.238 234 I HN 0.782 nan 8.210 nan 0.000 0.424 235 E N 6.365 126.668 120.200 0.172 0.000 2.133 235 E HA 0.322 4.673 4.350 0.002 0.000 0.274 235 E C -0.778 175.827 176.600 0.008 0.000 0.930 235 E CA -0.580 55.823 56.400 0.005 0.000 0.770 235 E CB 1.121 30.911 29.700 0.151 0.000 1.104 235 E HN 0.533 nan 8.360 nan 0.000 0.403 236 N N 3.996 122.627 118.700 -0.116 0.000 2.513 236 N HA 0.029 4.770 4.740 0.002 0.000 0.268 236 N C 0.230 175.716 175.510 -0.039 0.000 1.180 236 N CA -0.028 52.998 53.050 -0.039 0.000 0.948 236 N CB 0.671 39.128 38.487 -0.049 0.000 1.083 236 N HN 0.532 nan 8.380 nan 0.000 0.455 237 F N 1.957 121.749 119.950 -0.262 0.000 2.149 237 F HA 0.022 4.549 4.527 0.002 0.000 0.294 237 F C 0.617 176.291 175.800 -0.209 0.000 1.095 237 F CA 0.730 58.432 58.000 -0.495 0.000 1.276 237 F CB 0.275 38.964 39.000 -0.519 0.000 1.023 237 F HN 0.387 nan 8.300 nan 0.000 0.480 238 D N 1.701 122.190 120.400 0.148 0.000 2.350 238 D HA 0.284 4.925 4.640 0.002 0.000 0.249 238 D C 0.302 176.615 176.300 0.021 0.000 1.119 238 D CA 0.340 54.393 54.000 0.088 0.000 0.886 238 D CB 1.349 42.249 40.800 0.166 0.000 1.195 238 D HN 0.297 nan 8.370 nan 0.000 0.437 239 A N 3.043 125.865 122.820 0.003 0.000 2.267 239 A HA 0.242 4.563 4.320 0.002 0.000 0.271 239 A C 0.725 178.339 177.584 0.050 0.000 1.131 239 A CA -0.525 51.529 52.037 0.028 0.000 0.818 239 A CB 0.261 19.280 19.000 0.031 0.000 1.118 239 A HN 0.512 nan 8.150 nan 0.000 0.501 240 M N 0.159 119.805 119.600 0.077 0.000 2.248 240 M HA 0.210 4.691 4.480 0.002 0.000 0.343 240 M C 1.384 177.710 176.300 0.044 0.000 1.243 240 M CA 2.002 57.337 55.300 0.059 0.000 1.025 240 M CB -0.414 32.233 32.600 0.079 0.000 1.759 240 M HN 1.478 nan 8.290 nan 0.000 0.452 241 G N 3.680 112.498 108.800 0.030 0.000 2.284 241 G HA2 -0.149 3.812 3.960 0.002 0.000 0.201 241 G HA3 -0.149 3.812 3.960 0.002 0.000 0.201 241 G C 0.036 174.980 174.900 0.074 0.000 0.998 241 G CA -0.575 44.551 45.100 0.044 0.000 0.651 241 G HN 0.564 nan 8.290 nan 0.000 0.489 242 I N 2.371 122.989 120.570 0.081 0.000 2.382 242 I HA 0.324 4.495 4.170 0.002 0.000 0.286 242 I C 0.602 176.797 176.117 0.129 0.000 1.002 242 I CA -1.077 60.298 61.300 0.125 0.000 1.135 242 I CB 1.348 39.428 38.000 0.133 0.000 1.288 242 I HN 0.156 nan 8.210 nan 0.000 0.448 243 H N 5.118 124.234 119.070 0.077 0.000 3.115 243 H HA -0.089 4.468 4.556 0.002 0.000 0.324 243 H C 1.209 176.574 175.328 0.061 0.000 1.007 243 H CA 1.340 57.422 56.048 0.056 0.000 1.385 243 H CB 1.203 30.994 29.762 0.049 0.000 1.351 243 H HN 0.863 nan 8.280 nan 0.000 0.592 244 T N 0.746 115.148 114.554 -0.253 0.000 2.822 244 T HA -0.145 4.206 4.350 0.002 0.000 0.270 244 T C 2.078 176.867 174.700 0.149 0.000 1.064 244 T CA 1.159 63.231 62.100 -0.048 0.000 1.131 244 T CB -0.514 68.277 68.868 -0.128 0.000 0.858 244 T HN 0.621 nan 8.240 nan 0.000 0.483 245 G N 0.721 109.796 108.800 0.459 0.000 2.448 245 G HA2 -0.022 3.939 3.960 0.002 0.000 0.218 245 G HA3 -0.022 3.939 3.960 0.002 0.000 0.218 245 G C 1.050 176.026 174.900 0.128 0.000 1.135 245 G CA 0.547 45.806 45.100 0.265 0.000 0.784 245 G HN 0.494 nan 8.290 nan 0.000 0.543 246 D N -0.151 120.384 120.400 0.224 0.000 2.363 246 D HA 0.254 4.895 4.640 0.002 0.000 0.214 246 D C 0.550 177.040 176.300 0.316 0.000 1.093 246 D CA 0.027 54.195 54.000 0.280 0.000 0.837 246 D CB 0.698 41.744 40.800 0.411 0.000 0.948 246 D HN 0.084 nan 8.370 nan 0.000 0.507 247 S N -0.237 115.584 115.700 0.201 0.000 2.638 247 S HA 0.503 4.974 4.470 0.002 0.000 0.298 247 S C 0.238 174.899 174.600 0.103 0.000 1.111 247 S CA -0.662 57.638 58.200 0.166 0.000 1.027 247 S CB 1.827 65.098 63.200 0.119 0.000 1.064 247 S HN 0.016 nan 8.310 nan 0.000 0.525 248 I N 2.494 123.109 120.570 0.075 0.000 2.395 248 I HA 0.307 4.478 4.170 0.002 0.000 0.289 248 I C 0.561 176.678 176.117 -0.000 0.000 1.023 248 I CA 0.206 61.473 61.300 -0.055 0.000 1.350 248 I CB 1.089 38.879 38.000 -0.350 0.000 1.409 248 I HN 0.703 nan 8.210 nan 0.000 0.507 249 T N 4.074 118.624 114.554 -0.008 0.000 2.896 249 T HA 0.801 5.152 4.350 0.002 0.000 0.297 249 T C -0.558 174.173 174.700 0.053 0.000 1.108 249 T CA -0.750 61.369 62.100 0.031 0.000 1.004 249 T CB 1.831 70.724 68.868 0.041 0.000 1.159 249 T HN 0.423 nan 8.240 nan 0.000 0.499 250 V N -1.474 118.508 119.914 0.114 0.000 3.102 250 V HA 1.041 5.162 4.120 0.002 0.000 0.312 250 V C -0.558 175.624 176.094 0.147 0.000 1.135 250 V CA -1.177 61.217 62.300 0.155 0.000 1.022 250 V CB 1.241 33.230 31.823 0.277 0.000 1.056 250 V HN 1.598 nan 8.190 nan 0.000 0.436 251 A N 3.375 126.270 122.820 0.125 0.000 2.393 251 A HA 1.029 5.350 4.320 0.002 0.000 0.306 251 A C -2.886 174.740 177.584 0.071 0.000 1.050 251 A CA -1.748 50.348 52.037 0.098 0.000 0.724 251 A CB 1.882 20.926 19.000 0.073 0.000 1.248 251 A HN 0.805 nan 8.150 nan 0.000 0.424 252 P HA 0.508 nan 4.420 nan 0.000 0.317 252 P C 0.139 177.495 177.300 0.093 0.000 1.307 252 P CA -0.240 62.891 63.100 0.051 0.000 0.749 252 P CB 0.635 32.324 31.700 -0.018 0.000 1.377 253 A N 0.209 123.120 122.820 0.152 0.000 2.507 253 A HA 0.069 4.390 4.320 0.002 0.000 0.235 253 A C 1.144 178.743 177.584 0.026 0.000 1.070 253 A CA 0.307 52.480 52.037 0.227 0.000 0.768 253 A CB -0.359 18.828 19.000 0.312 0.000 1.011 253 A HN 0.480 nan 8.150 nan 0.000 0.502 254 Q N 0.074 119.832 119.800 -0.069 0.000 2.471 254 Q HA 0.018 4.359 4.340 0.002 0.000 0.241 254 Q C 1.300 176.971 176.000 -0.547 0.000 0.886 254 Q CA 1.626 57.141 55.803 -0.480 0.000 0.953 254 Q CB 0.002 28.084 28.738 -1.093 0.000 1.108 254 Q HN 0.990 nan 8.270 nan 0.000 0.575 255 T N -1.550 112.808 114.554 -0.327 0.000 3.243 255 T HA 0.506 4.857 4.350 0.002 0.000 0.264 255 T C 0.361 174.996 174.700 -0.108 0.000 1.000 255 T CA -0.161 61.783 62.100 -0.261 0.000 0.901 255 T CB -0.468 68.261 68.868 -0.231 0.000 1.083 255 T HN -0.110 nan 8.240 nan 0.000 0.559 256 L N 2.425 123.582 121.223 -0.112 0.000 2.325 256 L HA 0.547 4.888 4.340 0.002 0.000 0.278 256 L C 0.790 177.599 176.870 -0.101 0.000 1.023 256 L CA -1.086 53.681 54.840 -0.121 0.000 0.811 256 L CB 1.910 43.864 42.059 -0.175 0.000 1.249 256 L HN 0.297 nan 8.230 nan 0.000 0.431 257 T N -2.908 111.593 114.554 -0.088 0.000 2.868 257 T HA 0.028 4.379 4.350 0.002 0.000 0.292 257 T C 0.688 175.359 174.700 -0.048 0.000 1.028 257 T CA -0.560 61.495 62.100 -0.075 0.000 1.059 257 T CB 1.274 70.103 68.868 -0.066 0.000 0.991 257 T HN 0.692 nan 8.240 nan 0.000 0.531 258 D N 0.296 120.661 120.400 -0.058 0.000 2.182 258 D HA -0.133 4.508 4.640 0.002 0.000 0.201 258 D C 1.923 178.231 176.300 0.013 0.000 0.986 258 D CA 1.391 55.371 54.000 -0.033 0.000 0.847 258 D CB -0.029 40.735 40.800 -0.060 0.000 0.942 258 D HN 0.600 nan 8.370 nan 0.000 0.467 259 K N -0.052 120.335 120.400 -0.022 0.000 2.032 259 K HA -0.167 4.154 4.320 0.002 0.000 0.209 259 K C 2.186 178.759 176.600 -0.044 0.000 1.048 259 K CA 1.484 57.754 56.287 -0.029 0.000 0.927 259 K CB -0.128 32.349 32.500 -0.039 0.000 0.712 259 K HN 0.318 nan 8.250 nan 0.000 0.441 260 E N -0.268 119.895 120.200 -0.062 0.000 2.150 260 E HA -0.195 4.156 4.350 0.002 0.000 0.193 260 E C 1.824 178.335 176.600 -0.150 0.000 0.985 260 E CA 0.851 57.181 56.400 -0.117 0.000 0.814 260 E CB -0.157 29.455 29.700 -0.148 0.000 0.752 260 E HN 0.306 nan 8.360 nan 0.000 0.466 261 Y N 1.956 122.129 120.300 -0.212 0.000 2.165 261 Y HA -0.288 4.262 4.550 0.002 0.000 0.286 261 Y C 2.260 178.045 175.900 -0.191 0.000 1.155 261 Y CA 1.597 59.563 58.100 -0.223 0.000 1.164 261 Y CB 0.146 38.500 38.460 -0.178 0.000 0.978 261 Y HN -0.033 nan 8.280 nan 0.000 0.513 262 Q N 0.303 120.102 119.800 -0.003 0.000 2.084 262 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 262 Q C 2.446 178.356 176.000 -0.150 0.000 0.978 262 Q CA 1.985 57.758 55.803 -0.050 0.000 0.844 262 Q CB -0.622 28.119 28.738 0.005 0.000 0.898 262 Q HN 0.625 nan 8.270 nan 0.000 0.426 263 I N 0.270 120.744 120.570 -0.160 0.000 2.286 263 I HA -0.263 3.908 4.170 0.002 0.000 0.248 263 I C 2.508 178.459 176.117 -0.276 0.000 1.115 263 I CA 1.056 62.253 61.300 -0.172 0.000 1.392 263 I CB -0.257 37.651 38.000 -0.153 0.000 1.065 263 I HN 0.206 nan 8.210 nan 0.000 0.418 264 M N 0.653 119.995 119.600 -0.430 0.000 2.156 264 M HA -0.195 4.286 4.480 0.002 0.000 0.264 264 M C 2.533 178.498 176.300 -0.558 0.000 1.067 264 M CA 1.559 56.450 55.300 -0.681 0.000 1.131 264 M CB -0.127 31.952 32.600 -0.867 0.000 1.368 264 M HN 0.068 nan 8.290 nan 0.000 0.416 265 R N 0.149 120.349 120.500 -0.500 0.000 2.120 265 R HA -0.135 4.206 4.340 0.002 0.000 0.234 265 R C 1.503 177.708 176.300 -0.159 0.000 1.123 265 R CA 2.156 58.054 56.100 -0.337 0.000 0.975 265 R CB -0.438 29.681 30.300 -0.301 0.000 0.866 265 R HN 0.564 nan 8.270 nan 0.000 0.446 266 N N -0.090 118.522 118.700 -0.146 0.000 2.080 266 N HA -0.125 4.616 4.740 0.002 0.000 0.189 266 N C 1.847 177.335 175.510 -0.037 0.000 1.036 266 N CA 1.037 54.042 53.050 -0.074 0.000 0.846 266 N CB -0.150 38.296 38.487 -0.068 0.000 1.015 266 N HN 0.298 nan 8.380 nan 0.000 0.423 267 A N 0.752 123.546 122.820 -0.044 0.000 1.908 267 A HA -0.156 4.164 4.320 0.002 0.000 0.218 267 A C 2.354 180.043 177.584 0.174 0.000 1.181 267 A CA 1.568 53.647 52.037 0.069 0.000 0.627 267 A CB -0.765 18.303 19.000 0.114 0.000 0.818 267 A HN 0.188 nan 8.150 nan 0.000 0.445 268 S N -0.684 115.135 115.700 0.199 0.000 2.365 268 S HA -0.230 4.241 4.470 0.002 0.000 0.225 268 S C 2.057 176.726 174.600 0.114 0.000 1.039 268 S CA 2.002 60.355 58.200 0.254 0.000 1.033 268 S CB -0.392 62.902 63.200 0.157 0.000 0.887 268 S HN 0.597 nan 8.310 nan 0.000 0.447 269 M N 0.540 120.172 119.600 0.053 0.000 2.132 269 M HA -0.081 4.400 4.480 0.002 0.000 0.263 269 M C 2.416 178.735 176.300 0.032 0.000 1.065 269 M CA 1.385 56.703 55.300 0.030 0.000 1.122 269 M CB -0.451 32.155 32.600 0.010 0.000 1.365 269 M HN 0.398 nan 8.290 nan 0.000 0.411 270 A N -0.391 122.448 122.820 0.032 0.000 1.972 270 A HA -0.087 4.234 4.320 0.002 0.000 0.219 270 A C 2.187 179.782 177.584 0.019 0.000 1.169 270 A CA 1.334 53.382 52.037 0.020 0.000 0.635 270 A CB -0.850 18.158 19.000 0.013 0.000 0.810 270 A HN 0.307 nan 8.150 nan 0.000 0.446 271 V N -0.520 119.420 119.914 0.044 0.000 2.307 271 V HA -0.214 3.907 4.120 0.002 0.000 0.245 271 V C 2.465 178.585 176.094 0.043 0.000 1.045 271 V CA 1.891 64.212 62.300 0.036 0.000 1.024 271 V CB -0.650 31.221 31.823 0.080 0.000 0.651 271 V HN 0.501 nan 8.190 nan 0.000 0.449 272 L N -0.593 120.659 121.223 0.048 0.000 2.141 272 L HA -0.096 4.245 4.340 0.002 0.000 0.209 272 L C 2.500 179.387 176.870 0.028 0.000 1.094 272 L CA 1.717 56.582 54.840 0.041 0.000 0.763 272 L CB -0.706 41.374 42.059 0.036 0.000 0.908 272 L HN 0.185 nan 8.230 nan 0.000 0.437 273 R N -0.678 119.835 120.500 0.021 0.000 2.073 273 R HA -0.203 4.138 4.340 0.002 0.000 0.234 273 R C 2.277 178.581 176.300 0.006 0.000 1.134 273 R CA 1.492 57.599 56.100 0.013 0.000 0.952 273 R CB -0.172 30.134 30.300 0.009 0.000 0.850 273 R HN 0.237 nan 8.270 nan 0.000 0.433 274 E N 0.445 120.643 120.200 -0.003 0.000 2.072 274 E HA -0.131 4.220 4.350 0.002 0.000 0.191 274 E C 1.601 178.196 176.600 -0.008 0.000 0.985 274 E CA 1.104 57.493 56.400 -0.018 0.000 0.801 274 E CB -0.074 29.596 29.700 -0.049 0.000 0.750 274 E HN 0.100 nan 8.360 nan 0.000 0.452 275 I N -0.007 120.570 120.570 0.011 0.000 2.286 275 I HA 0.001 4.172 4.170 0.002 0.000 0.248 275 I C 1.961 178.094 176.117 0.028 0.000 1.115 275 I CA 1.756 63.077 61.300 0.035 0.000 1.392 275 I CB -1.027 37.017 38.000 0.075 0.000 1.065 275 I HN 0.440 nan 8.210 nan 0.000 0.418 276 G N -0.624 108.190 108.800 0.023 0.000 2.205 276 G HA2 -0.166 3.795 3.960 0.002 0.000 0.180 276 G HA3 -0.166 3.795 3.960 0.002 0.000 0.180 276 G C 0.249 175.163 174.900 0.023 0.000 1.004 276 G CA 0.004 45.117 45.100 0.021 0.000 0.670 276 G HN 0.127 nan 8.290 nan 0.000 0.496 277 V N 1.240 121.170 119.914 0.026 0.000 2.403 277 V HA 0.321 4.442 4.120 0.002 0.000 0.265 277 V C 1.144 177.254 176.094 0.027 0.000 1.034 277 V CA 0.996 63.312 62.300 0.026 0.000 1.036 277 V CB 1.026 32.866 31.823 0.028 0.000 1.032 277 V HN 0.486 nan 8.190 nan 0.000 0.478 278 E N 2.249 122.465 120.200 0.026 0.000 2.465 278 E HA 0.060 4.410 4.350 0.002 0.000 0.209 278 E C 0.732 177.352 176.600 0.034 0.000 0.951 278 E CA 0.582 56.999 56.400 0.028 0.000 0.997 278 E CB 0.820 30.535 29.700 0.025 0.000 1.025 278 E HN 0.842 nan 8.360 nan 0.000 0.500 279 T N -1.545 113.029 114.554 0.034 0.000 3.839 279 T HA 0.622 4.973 4.350 0.002 0.000 0.230 279 T C 0.022 174.748 174.700 0.043 0.000 1.095 279 T CA -0.292 61.833 62.100 0.041 0.000 1.470 279 T CB 0.862 69.751 68.868 0.035 0.000 0.881 279 T HN 0.144 nan 8.240 nan 0.000 0.637 280 G N -0.394 108.434 108.800 0.046 0.000 2.321 280 G HA2 0.599 4.560 3.960 0.002 0.000 0.296 280 G HA3 0.599 4.560 3.960 0.002 0.000 0.296 280 G C -0.464 174.464 174.900 0.046 0.000 1.287 280 G CA -0.201 44.929 45.100 0.050 0.000 0.846 280 G HN 0.616 nan 8.290 nan 0.000 0.508 281 G N -1.101 107.727 108.800 0.047 0.000 2.511 281 G HA2 0.693 4.654 3.960 0.002 0.000 0.316 281 G HA3 0.693 4.654 3.960 0.002 0.000 0.316 281 G C -0.407 174.512 174.900 0.031 0.000 1.210 281 G CA 0.328 45.449 45.100 0.035 0.000 0.969 281 G HN 1.311 nan 8.290 nan 0.000 0.492 282 S N -0.958 114.756 115.700 0.023 0.000 2.565 282 S HA 0.393 4.864 4.470 0.002 0.000 0.269 282 S C -1.082 173.527 174.600 0.015 0.000 1.153 282 S CA -0.914 57.297 58.200 0.019 0.000 0.835 282 S CB 1.917 65.127 63.200 0.016 0.000 1.122 282 S HN 0.777 nan 8.310 nan 0.000 0.462 283 N N 1.383 120.086 118.700 0.005 0.000 2.407 283 N HA 0.482 5.222 4.740 0.002 0.000 0.277 283 N C -1.607 173.881 175.510 -0.037 0.000 0.995 283 N CA -0.269 52.782 53.050 0.002 0.000 0.903 283 N CB 1.276 39.769 38.487 0.010 0.000 1.218 283 N HN 0.361 nan 8.380 nan 0.000 0.487 284 V N 3.148 123.047 119.914 -0.025 0.000 2.417 284 V HA 0.362 4.483 4.120 0.002 0.000 0.291 284 V C -0.022 175.938 176.094 -0.223 0.000 1.024 284 V CA -0.717 61.503 62.300 -0.133 0.000 0.861 284 V CB 1.462 33.253 31.823 -0.054 0.000 0.985 284 V HN 0.638 nan 8.190 nan 0.000 0.436 285 Q N 3.056 122.621 119.800 -0.391 0.000 2.266 285 Q HA 0.782 5.123 4.340 0.002 0.000 0.261 285 Q C -1.575 174.095 176.000 -0.551 0.000 0.985 285 Q CA -0.356 55.277 55.803 -0.283 0.000 0.873 285 Q CB 2.503 31.139 28.738 -0.171 0.000 1.306 285 Q HN 0.668 nan 8.270 nan 0.000 0.447 286 F N -0.268 119.742 119.950 0.099 0.000 2.643 286 F HA 0.760 5.288 4.527 0.002 0.000 0.314 286 F C -0.635 175.280 175.800 0.192 0.000 1.096 286 F CA -1.101 56.980 58.000 0.136 0.000 0.953 286 F CB 1.667 40.744 39.000 0.129 0.000 1.345 286 F HN 0.508 nan 8.300 nan 0.000 0.468 287 A N 1.022 124.111 122.820 0.449 0.000 2.356 287 A HA 0.843 5.164 4.320 0.002 0.000 0.310 287 A C -1.736 176.207 177.584 0.598 0.000 1.075 287 A CA -0.726 51.589 52.037 0.463 0.000 0.746 287 A CB 1.399 20.599 19.000 0.334 0.000 1.221 287 A HN 0.536 nan 8.150 nan 0.000 0.443 288 V N 2.732 122.975 119.914 0.549 0.000 2.540 288 V HA 0.333 4.454 4.120 0.002 0.000 0.302 288 V C -0.328 175.738 176.094 -0.046 0.000 1.035 288 V CA -0.913 61.563 62.300 0.293 0.000 0.873 288 V CB 1.931 33.898 31.823 0.240 0.000 0.992 288 V HN 0.900 nan 8.190 nan 0.000 0.428 289 N N 6.834 125.144 118.700 -0.651 0.000 2.406 289 N HA 0.289 5.030 4.740 0.002 0.000 0.251 289 N C -1.569 173.655 175.510 -0.477 0.000 1.069 289 N CA -2.088 50.242 53.050 -1.199 0.000 0.947 289 N CB 1.847 39.399 38.487 -1.559 0.000 1.111 289 N HN 0.270 nan 8.380 nan 0.000 0.497 290 P HA -0.120 nan 4.420 nan 0.000 0.223 290 P C 0.468 177.696 177.300 -0.120 0.000 1.144 290 P CA 1.304 64.338 63.100 -0.109 0.000 0.783 290 P CB 0.427 32.125 31.700 -0.004 0.000 0.771 291 K N -0.647 119.650 120.400 -0.172 0.000 2.361 291 K HA 0.009 4.330 4.320 0.002 0.000 0.196 291 K C 0.710 177.237 176.600 -0.122 0.000 1.039 291 K CA 0.990 57.201 56.287 -0.127 0.000 1.001 291 K CB 0.005 32.436 32.500 -0.116 0.000 0.795 291 K HN 0.256 nan 8.250 nan 0.000 0.495 292 N N -2.498 116.107 118.700 -0.158 0.000 1.997 292 N HA 0.064 4.805 4.740 0.002 0.000 0.225 292 N C 0.566 176.004 175.510 -0.120 0.000 1.383 292 N CA 0.306 53.284 53.050 -0.120 0.000 0.770 292 N CB 0.523 38.946 38.487 -0.106 0.000 1.178 292 N HN 0.026 nan 8.380 nan 0.000 0.515 293 G N 1.196 109.909 108.800 -0.144 0.000 2.166 293 G HA2 -0.429 3.532 3.960 0.002 0.000 0.260 293 G HA3 -0.429 3.532 3.960 0.002 0.000 0.260 293 G C 0.050 174.886 174.900 -0.105 0.000 0.986 293 G CA 0.424 45.452 45.100 -0.120 0.000 0.683 293 G HN 0.706 nan 8.290 nan 0.000 0.527 294 R N -0.191 120.229 120.500 -0.134 0.000 2.473 294 R HA 0.325 4.666 4.340 0.002 0.000 0.315 294 R C 0.215 176.545 176.300 0.050 0.000 0.972 294 R CA -0.322 55.749 56.100 -0.049 0.000 1.047 294 R CB -0.016 30.249 30.300 -0.059 0.000 0.932 294 R HN 0.302 nan 8.270 nan 0.000 0.411 295 L N 6.679 127.959 121.223 0.095 0.000 2.275 295 L HA 0.461 4.802 4.340 0.002 0.000 0.288 295 L C -0.818 176.206 176.870 0.258 0.000 1.046 295 L CA -0.053 54.882 54.840 0.157 0.000 0.805 295 L CB 1.107 43.184 42.059 0.029 0.000 1.193 295 L HN 0.618 nan 8.230 nan 0.000 0.426 296 I N 5.180 125.965 120.570 0.357 0.000 2.582 296 I HA 0.351 4.522 4.170 0.002 0.000 0.292 296 I C -0.791 175.515 176.117 0.315 0.000 1.066 296 I CA -1.030 60.445 61.300 0.292 0.000 1.053 296 I CB 2.267 40.404 38.000 0.227 0.000 1.241 296 I HN 0.221 nan 8.210 nan 0.000 0.421 297 V N 6.196 126.239 119.914 0.216 0.000 2.498 297 V HA 0.220 4.341 4.120 0.002 0.000 0.279 297 V C 0.914 177.041 176.094 0.054 0.000 1.048 297 V CA -0.250 62.089 62.300 0.066 0.000 0.967 297 V CB 1.547 33.398 31.823 0.046 0.000 0.988 297 V HN 0.579 nan 8.190 nan 0.000 0.473 298 I N 2.419 122.954 120.570 -0.058 0.000 2.899 298 I HA 0.247 4.418 4.170 0.002 0.000 0.257 298 I C 0.919 176.964 176.117 -0.119 0.000 1.115 298 I CA 0.885 62.154 61.300 -0.052 0.000 1.451 298 I CB -0.051 37.896 38.000 -0.089 0.000 1.251 298 I HN 1.012 nan 8.210 nan 0.000 0.456 299 E N 0.958 120.983 120.200 -0.292 0.000 2.429 299 E HA 0.470 4.821 4.350 0.002 0.000 0.277 299 E C -0.937 175.299 176.600 -0.608 0.000 1.130 299 E CA -0.893 55.066 56.400 -0.734 0.000 0.875 299 E CB 1.663 31.029 29.700 -0.556 0.000 1.443 299 E HN 0.006 nan 8.360 nan 0.000 0.444 300 M N 1.152 120.289 119.600 -0.770 0.000 2.322 300 M HA 0.561 5.042 4.480 0.002 0.000 0.286 300 M C -2.191 173.934 176.300 -0.292 0.000 1.111 300 M CA -0.379 54.705 55.300 -0.361 0.000 0.941 300 M CB 2.390 34.943 32.600 -0.078 0.000 1.671 300 M HN 0.394 nan 8.290 nan 0.000 0.470 301 N N 4.996 123.600 118.700 -0.160 0.000 2.558 301 N HA 0.366 5.107 4.740 0.002 0.000 0.242 301 N C -2.644 172.835 175.510 -0.051 0.000 0.979 301 N CA -1.186 51.798 53.050 -0.109 0.000 0.931 301 N CB 1.610 40.060 38.487 -0.062 0.000 1.122 301 N HN 0.565 nan 8.380 nan 0.000 0.508 302 P HA 0.021 nan 4.420 nan 0.000 0.237 302 P C -0.385 176.915 177.300 -0.001 0.000 1.701 302 P CA 0.376 63.465 63.100 -0.018 0.000 0.955 302 P CB -0.249 31.437 31.700 -0.024 0.000 1.937 303 R N -1.753 118.758 120.500 0.018 0.000 2.975 303 R HA 0.432 4.773 4.340 0.002 0.000 0.273 303 R C -0.831 175.521 176.300 0.087 0.000 0.971 303 R CA -1.060 55.064 56.100 0.041 0.000 0.836 303 R CB -0.270 30.042 30.300 0.020 0.000 1.460 303 R HN -0.143 nan 8.270 nan 0.000 0.459 304 V N -0.302 119.694 119.914 0.138 0.000 3.083 304 V HA 0.814 4.935 4.120 0.002 0.000 0.306 304 V C 0.151 176.451 176.094 0.344 0.000 1.077 304 V CA 0.405 62.826 62.300 0.202 0.000 1.073 304 V CB 1.145 33.090 31.823 0.204 0.000 1.081 304 V HN 1.075 nan 8.190 nan 0.000 0.474 305 S N 2.002 117.865 115.700 0.272 0.000 2.800 305 S HA 0.441 4.912 4.470 0.002 0.000 0.293 305 S C 0.693 175.288 174.600 -0.008 0.000 1.209 305 S CA -0.460 57.902 58.200 0.270 0.000 0.884 305 S CB 1.414 64.719 63.200 0.175 0.000 1.244 305 S HN 1.108 nan 8.310 nan 0.000 0.540 306 R N 0.351 120.840 120.500 -0.017 0.000 2.148 306 R HA 0.136 4.477 4.340 0.002 0.000 0.223 306 R C 1.485 177.779 176.300 -0.010 0.000 1.088 306 R CA 1.677 57.726 56.100 -0.085 0.000 0.985 306 R CB -0.768 29.494 30.300 -0.064 0.000 0.880 306 R HN 0.407 nan 8.270 nan 0.000 0.451 307 S N 1.029 116.749 115.700 0.034 0.000 2.414 307 S HA -0.101 4.370 4.470 0.002 0.000 0.227 307 S C 1.969 176.602 174.600 0.055 0.000 1.022 307 S CA 1.156 59.382 58.200 0.044 0.000 0.958 307 S CB 0.050 63.279 63.200 0.048 0.000 0.797 307 S HN 0.646 nan 8.310 nan 0.000 0.493 308 S N 2.171 117.913 115.700 0.069 0.000 2.383 308 S HA 0.011 4.482 4.470 0.002 0.000 0.227 308 S C 2.006 176.691 174.600 0.143 0.000 1.026 308 S CA 1.003 59.261 58.200 0.096 0.000 0.981 308 S CB -0.450 62.812 63.200 0.104 0.000 0.818 308 S HN 0.453 nan 8.310 nan 0.000 0.472 309 A N 1.815 124.715 122.820 0.133 0.000 1.873 309 A HA 0.129 4.450 4.320 0.002 0.000 0.215 309 A C 2.260 179.881 177.584 0.063 0.000 1.186 309 A CA 1.503 53.645 52.037 0.175 0.000 0.616 309 A CB -0.992 18.037 19.000 0.049 0.000 0.823 309 A HN 0.593 nan 8.150 nan 0.000 0.442 310 L N -0.086 121.157 121.223 0.033 0.000 2.012 310 L HA -0.091 4.250 4.340 0.002 0.000 0.210 310 L C 2.652 179.553 176.870 0.051 0.000 1.073 310 L CA 2.325 57.180 54.840 0.025 0.000 0.748 310 L CB -0.732 41.342 42.059 0.025 0.000 0.891 310 L HN 0.339 nan 8.230 nan 0.000 0.431 311 A N -1.266 121.597 122.820 0.072 0.000 1.908 311 A HA -0.213 4.108 4.320 0.002 0.000 0.218 311 A C 2.364 180.027 177.584 0.133 0.000 1.181 311 A CA 2.147 54.232 52.037 0.081 0.000 0.627 311 A CB -1.001 18.033 19.000 0.057 0.000 0.818 311 A HN 0.579 nan 8.150 nan 0.000 0.445 312 S N -0.139 115.675 115.700 0.190 0.000 2.368 312 S HA -0.108 4.363 4.470 0.002 0.000 0.224 312 S C 1.960 176.730 174.600 0.283 0.000 1.029 312 S CA 1.452 59.830 58.200 0.296 0.000 0.988 312 S CB -0.181 63.265 63.200 0.410 0.000 0.838 312 S HN 0.463 nan 8.310 nan 0.000 0.462 313 K N 2.105 122.601 120.400 0.161 0.000 2.148 313 K HA 0.219 4.540 4.320 0.002 0.000 0.204 313 K C 2.162 178.818 176.600 0.094 0.000 1.050 313 K CA 1.139 57.505 56.287 0.132 0.000 0.942 313 K CB -1.042 31.440 32.500 -0.029 0.000 0.724 313 K HN 0.349 nan 8.250 nan 0.000 0.446 314 A N 0.745 123.598 122.820 0.055 0.000 1.898 314 A HA -0.128 4.193 4.320 0.002 0.000 0.216 314 A C 2.170 179.845 177.584 0.151 0.000 1.181 314 A CA 2.373 54.440 52.037 0.050 0.000 0.620 314 A CB -0.725 18.310 19.000 0.059 0.000 0.819 314 A HN 0.469 nan 8.150 nan 0.000 0.442 315 T N -5.452 109.210 114.554 0.181 0.000 3.015 315 T HA 0.421 4.772 4.350 0.002 0.000 0.250 315 T C 1.464 176.338 174.700 0.289 0.000 1.057 315 T CA 1.113 63.340 62.100 0.210 0.000 1.066 315 T CB 0.331 69.308 68.868 0.182 0.000 0.959 315 T HN 1.690 nan 8.240 nan 0.000 0.488 316 G N 1.200 110.228 108.800 0.380 0.000 2.176 316 G HA2 -0.224 3.737 3.960 0.002 0.000 0.253 316 G HA3 -0.224 3.737 3.960 0.002 0.000 0.253 316 G C -0.200 174.982 174.900 0.470 0.000 0.979 316 G CA -0.015 45.371 45.100 0.476 0.000 0.641 316 G HN 0.617 nan 8.290 nan 0.000 0.530 317 F N 3.466 123.585 119.950 0.283 0.000 2.350 317 F HA 0.588 5.116 4.527 0.002 0.000 0.365 317 F C -1.899 174.045 175.800 0.240 0.000 1.122 317 F CA -3.258 54.882 58.000 0.233 0.000 1.139 317 F CB 1.517 40.585 39.000 0.112 0.000 1.220 317 F HN -0.077 nan 8.300 nan 0.000 0.499 318 P HA 0.090 nan 4.420 nan 0.000 0.249 318 P C 1.319 178.792 177.300 0.287 0.000 1.737 318 P CA 0.399 63.668 63.100 0.281 0.000 1.128 318 P CB -0.204 31.593 31.700 0.162 0.000 1.942 319 I N 1.522 122.345 120.570 0.422 0.000 2.113 319 I HA -0.347 3.824 4.170 0.002 0.000 0.242 319 I C 2.229 178.451 176.117 0.174 0.000 1.064 319 I CA 2.079 63.586 61.300 0.345 0.000 1.320 319 I CB -0.821 37.313 38.000 0.224 0.000 1.028 319 I HN 0.197 nan 8.210 nan 0.000 0.406 320 A N 0.364 123.222 122.820 0.063 0.000 1.969 320 A HA -0.195 4.126 4.320 0.002 0.000 0.218 320 A C 2.315 179.887 177.584 -0.019 0.000 1.169 320 A CA 1.485 53.516 52.037 -0.011 0.000 0.635 320 A CB -0.371 18.566 19.000 -0.105 0.000 0.810 320 A HN 0.340 nan 8.150 nan 0.000 0.445 321 K N -0.574 119.809 120.400 -0.028 0.000 2.025 321 K HA -0.039 4.282 4.320 0.002 0.000 0.207 321 K C 1.915 178.512 176.600 -0.005 0.000 1.049 321 K CA 1.350 57.618 56.287 -0.031 0.000 0.933 321 K CB -0.316 32.162 32.500 -0.037 0.000 0.714 321 K HN 0.261 nan 8.250 nan 0.000 0.438 322 V N 1.355 121.288 119.914 0.031 0.000 2.261 322 V HA -0.291 3.830 4.120 0.002 0.000 0.246 322 V C 2.311 178.450 176.094 0.076 0.000 1.047 322 V CA 2.151 64.485 62.300 0.056 0.000 1.015 322 V CB -0.724 31.189 31.823 0.150 0.000 0.642 322 V HN 0.404 nan 8.190 nan 0.000 0.446 323 A N -0.107 122.770 122.820 0.095 0.000 1.948 323 A HA -0.206 4.115 4.320 0.002 0.000 0.220 323 A C 2.397 180.008 177.584 0.044 0.000 1.177 323 A CA 2.381 54.462 52.037 0.075 0.000 0.636 323 A CB -0.829 18.213 19.000 0.070 0.000 0.815 323 A HN 0.625 nan 8.150 nan 0.000 0.449 324 A N -0.387 122.446 122.820 0.022 0.000 1.933 324 A HA -0.146 4.175 4.320 0.002 0.000 0.218 324 A C 2.106 179.696 177.584 0.010 0.000 1.175 324 A CA 1.740 53.777 52.037 -0.000 0.000 0.628 324 A CB -0.371 18.620 19.000 -0.015 0.000 0.814 324 A HN 0.570 nan 8.150 nan 0.000 0.444 325 K N -0.858 119.561 120.400 0.032 0.000 2.103 325 K HA -0.003 4.318 4.320 0.002 0.000 0.204 325 K C 1.546 178.263 176.600 0.196 0.000 1.052 325 K CA 0.881 57.226 56.287 0.097 0.000 0.945 325 K CB -0.254 32.206 32.500 -0.067 0.000 0.722 325 K HN 0.283 nan 8.250 nan 0.000 0.443 326 L N 0.910 122.208 121.223 0.125 0.000 2.201 326 L HA -0.084 4.257 4.340 0.002 0.000 0.212 326 L C 2.285 179.204 176.870 0.082 0.000 1.105 326 L CA 1.361 56.279 54.840 0.130 0.000 0.775 326 L CB -0.932 41.187 42.059 0.100 0.000 0.913 326 L HN 0.121 nan 8.230 nan 0.000 0.440 327 A N -0.422 122.424 122.820 0.044 0.000 1.972 327 A HA -0.115 4.206 4.320 0.002 0.000 0.219 327 A C 1.722 179.288 177.584 -0.030 0.000 1.169 327 A CA 1.598 53.635 52.037 -0.000 0.000 0.635 327 A CB -0.771 18.213 19.000 -0.027 0.000 0.810 327 A HN 0.297 nan 8.150 nan 0.000 0.446 328 V N -3.696 116.198 119.914 -0.034 0.000 3.189 328 V HA 0.586 4.707 4.120 0.002 0.000 0.366 328 V C 1.107 177.179 176.094 -0.035 0.000 1.313 328 V CA 0.365 62.610 62.300 -0.090 0.000 1.302 328 V CB -1.073 30.544 31.823 -0.344 0.000 1.260 328 V HN 1.377 nan 8.190 nan 0.000 0.484 329 G N -0.577 108.222 108.800 -0.002 0.000 2.179 329 G HA2 -0.329 3.632 3.960 0.002 0.000 0.260 329 G HA3 -0.329 3.632 3.960 0.002 0.000 0.260 329 G C -0.084 174.811 174.900 -0.008 0.000 0.977 329 G CA 0.465 45.549 45.100 -0.026 0.000 0.641 329 G HN 0.625 nan 8.290 nan 0.000 0.533 330 Y N 1.745 122.071 120.300 0.044 0.000 2.357 330 Y HA 0.476 5.027 4.550 0.002 0.000 0.340 330 Y C 1.494 177.423 175.900 0.047 0.000 1.260 330 Y CA 0.761 58.891 58.100 0.050 0.000 1.425 330 Y CB 0.884 39.376 38.460 0.054 0.000 1.326 330 Y HN 0.294 nan 8.280 nan 0.000 0.580 331 T N -1.046 113.657 114.554 0.249 0.000 2.918 331 T HA 0.371 4.722 4.350 0.002 0.000 0.286 331 T C 0.894 175.683 174.700 0.149 0.000 1.026 331 T CA -0.880 61.315 62.100 0.158 0.000 1.031 331 T CB 0.957 69.893 68.868 0.114 0.000 1.046 331 T HN 0.646 nan 8.240 nan 0.000 0.479 332 L N 1.095 122.395 121.223 0.129 0.000 2.051 332 L HA -0.171 4.170 4.340 0.002 0.000 0.214 332 L C 2.698 179.639 176.870 0.118 0.000 1.076 332 L CA 2.036 56.957 54.840 0.134 0.000 0.758 332 L CB -0.693 41.456 42.059 0.150 0.000 0.890 332 L HN 0.836 nan 8.230 nan 0.000 0.433 333 D N -0.084 120.379 120.400 0.106 0.000 2.182 333 D HA -0.250 4.391 4.640 0.002 0.000 0.201 333 D C 1.557 177.899 176.300 0.071 0.000 0.986 333 D CA 1.413 55.464 54.000 0.085 0.000 0.847 333 D CB -0.321 40.522 40.800 0.073 0.000 0.942 333 D HN 0.521 nan 8.370 nan 0.000 0.467 334 E N 0.016 120.272 120.200 0.092 0.000 2.371 334 E HA 0.120 4.471 4.350 0.002 0.000 0.194 334 E C 0.561 177.184 176.600 0.039 0.000 1.012 334 E CA 0.050 56.508 56.400 0.097 0.000 0.860 334 E CB 0.255 30.075 29.700 0.199 0.000 0.811 334 E HN 0.332 nan 8.360 nan 0.000 0.502 335 L N 1.307 122.536 121.223 0.010 0.000 2.357 335 L HA 0.295 4.636 4.340 0.002 0.000 0.273 335 L C 0.119 176.963 176.870 -0.042 0.000 1.080 335 L CA -0.761 54.044 54.840 -0.060 0.000 0.803 335 L CB 0.784 42.794 42.059 -0.082 0.000 1.174 335 L HN 0.011 nan 8.230 nan 0.000 0.443 336 M N 1.919 121.476 119.600 -0.071 0.000 2.367 336 M HA 0.226 4.707 4.480 0.002 0.000 0.339 336 M C -0.244 176.000 176.300 -0.093 0.000 1.177 336 M CA -0.745 54.509 55.300 -0.077 0.000 1.068 336 M CB 0.856 33.411 32.600 -0.075 0.000 1.602 336 M HN 0.409 nan 8.290 nan 0.000 0.457 337 N N 1.544 120.177 118.700 -0.112 0.000 2.442 337 N HA 0.015 4.756 4.740 0.002 0.000 0.265 337 N C 0.413 175.861 175.510 -0.104 0.000 1.138 337 N CA 0.306 53.289 53.050 -0.111 0.000 0.956 337 N CB 0.606 39.014 38.487 -0.131 0.000 1.067 337 N HN 0.423 nan 8.380 nan 0.000 0.474 338 D N 2.594 122.942 120.400 -0.087 0.000 2.103 338 D HA -0.188 4.453 4.640 0.002 0.000 0.190 338 D C 1.573 177.802 176.300 -0.119 0.000 0.997 338 D CA 1.613 55.578 54.000 -0.058 0.000 0.833 338 D CB -0.113 40.714 40.800 0.045 0.000 0.961 338 D HN 0.781 nan 8.370 nan 0.000 0.447 339 I N -1.172 119.294 120.570 -0.173 0.000 3.444 339 I HA 0.016 4.187 4.170 0.002 0.000 0.287 339 I C 0.819 176.887 176.117 -0.083 0.000 1.302 339 I CA 0.872 62.059 61.300 -0.187 0.000 1.368 339 I CB -0.435 37.409 38.000 -0.260 0.000 1.048 339 I HN -0.121 nan 8.210 nan 0.000 0.487 340 T N -1.616 112.893 114.554 -0.076 0.000 3.244 340 T HA 0.444 4.795 4.350 0.002 0.000 0.254 340 T C 1.337 175.993 174.700 -0.072 0.000 1.024 340 T CA 0.123 62.186 62.100 -0.063 0.000 0.920 340 T CB -0.044 68.746 68.868 -0.131 0.000 1.042 340 T HN 0.634 nan 8.240 nan 0.000 0.572 341 G N 1.044 109.805 108.800 -0.065 0.000 2.221 341 G HA2 0.050 4.011 3.960 0.002 0.000 0.265 341 G HA3 0.050 4.011 3.960 0.002 0.000 0.265 341 G C 1.137 175.999 174.900 -0.063 0.000 1.041 341 G CA 0.149 45.219 45.100 -0.051 0.000 0.807 341 G HN 1.641 nan 8.290 nan 0.000 0.502 342 G N -0.903 107.848 108.800 -0.081 0.000 2.205 342 G HA2 -0.418 3.543 3.960 0.002 0.000 0.269 342 G HA3 -0.418 3.543 3.960 0.002 0.000 0.269 342 G C 1.313 176.146 174.900 -0.111 0.000 0.977 342 G CA 1.516 46.564 45.100 -0.087 0.000 0.652 342 G HN 1.004 nan 8.290 nan 0.000 0.539 343 R N 0.219 120.642 120.500 -0.129 0.000 2.193 343 R HA 0.092 4.433 4.340 0.002 0.000 0.229 343 R C 1.676 177.826 176.300 -0.249 0.000 1.110 343 R CA 1.518 57.525 56.100 -0.155 0.000 0.988 343 R CB -0.158 30.064 30.300 -0.129 0.000 0.871 343 R HN 0.662 nan 8.270 nan 0.000 0.458 344 T N -1.844 112.519 114.554 -0.317 0.000 2.924 344 T HA 0.483 4.834 4.350 0.002 0.000 0.291 344 T C -2.796 171.743 174.700 -0.268 0.000 1.045 344 T CA -2.680 59.173 62.100 -0.411 0.000 1.015 344 T CB 2.852 71.278 68.868 -0.737 0.000 1.103 344 T HN -0.268 nan 8.240 nan 0.000 0.496 345 P HA 0.368 nan 4.420 nan 0.000 0.275 345 P C 0.203 177.536 177.300 0.056 0.000 1.266 345 P CA -0.491 62.576 63.100 -0.056 0.000 0.793 345 P CB 0.352 32.057 31.700 0.008 0.000 1.074 346 A N -0.322 122.582 122.820 0.141 0.000 2.308 346 A HA 0.088 4.409 4.320 0.002 0.000 0.217 346 A C 0.802 178.668 177.584 0.469 0.000 1.216 346 A CA 0.273 52.471 52.037 0.269 0.000 0.864 346 A CB -0.945 18.086 19.000 0.051 0.000 0.902 346 A HN 0.498 nan 8.150 nan 0.000 0.499 347 S N 1.030 116.945 115.700 0.358 0.000 3.483 347 S HA 0.577 5.048 4.470 0.002 0.000 0.274 347 S C -0.411 174.436 174.600 0.411 0.000 1.289 347 S CA -0.556 57.823 58.200 0.299 0.000 0.938 347 S CB -1.175 62.132 63.200 0.179 0.000 1.453 347 S HN 0.916 nan 8.310 nan 0.000 0.494 348 F N -1.741 118.304 119.950 0.158 0.000 2.858 348 F HA 0.629 5.157 4.527 0.002 0.000 0.319 348 F C -1.630 174.249 175.800 0.131 0.000 1.166 348 F CA -1.344 56.734 58.000 0.131 0.000 0.899 348 F CB 0.663 39.736 39.000 0.121 0.000 1.332 348 F HN 0.216 nan 8.300 nan 0.000 0.461 349 E N 2.585 122.693 120.200 -0.153 0.000 2.145 349 E HA 0.443 4.794 4.350 0.002 0.000 0.270 349 E C -2.657 173.818 176.600 -0.208 0.000 0.906 349 E CA -2.024 54.210 56.400 -0.276 0.000 0.761 349 E CB 1.782 31.438 29.700 -0.073 0.000 1.116 349 E HN 0.302 nan 8.360 nan 0.000 0.408 350 P HA 0.028 nan 4.420 nan 0.000 0.272 350 P C -0.741 176.591 177.300 0.052 0.000 1.223 350 P CA -0.263 62.844 63.100 0.012 0.000 0.784 350 P CB 0.901 32.597 31.700 -0.006 0.000 0.923 351 S N 1.093 116.860 115.700 0.112 0.000 2.532 351 S HA 0.736 5.207 4.470 0.002 0.000 0.299 351 S C -0.509 174.054 174.600 -0.063 0.000 1.105 351 S CA -0.788 57.417 58.200 0.008 0.000 1.018 351 S CB -0.050 63.163 63.200 0.022 0.000 1.021 351 S HN 0.351 nan 8.310 nan 0.000 0.483 352 I N 1.485 121.934 120.570 -0.202 0.000 2.569 352 I HA 0.667 4.838 4.170 0.002 0.000 0.296 352 I C -0.794 175.045 176.117 -0.464 0.000 1.028 352 I CA -0.945 60.075 61.300 -0.467 0.000 1.082 352 I CB 2.141 39.657 38.000 -0.806 0.000 1.264 352 I HN 0.479 nan 8.210 nan 0.000 0.429 353 D N 4.699 124.823 120.400 -0.459 0.000 3.058 353 D HA 0.291 4.932 4.640 0.002 0.000 0.272 353 D C -0.587 175.693 176.300 -0.033 0.000 1.350 353 D CA -0.155 53.749 54.000 -0.161 0.000 0.863 353 D CB -0.280 40.531 40.800 0.018 0.000 1.064 353 D HN 0.693 nan 8.370 nan 0.000 0.488 354 Y N -3.338 116.960 120.300 -0.004 0.000 2.895 354 Y HA 0.645 5.196 4.550 0.002 0.000 0.339 354 Y C -1.769 174.100 175.900 -0.052 0.000 1.363 354 Y CA -1.743 56.330 58.100 -0.044 0.000 1.085 354 Y CB 0.585 38.917 38.460 -0.213 0.000 1.500 354 Y HN -0.202 nan 8.280 nan 0.000 0.442 355 V N 1.871 121.933 119.914 0.247 0.000 2.531 355 V HA 0.633 4.754 4.120 0.002 0.000 0.301 355 V C -0.784 175.404 176.094 0.156 0.000 1.034 355 V CA -0.862 61.546 62.300 0.180 0.000 0.865 355 V CB 1.429 33.364 31.823 0.188 0.000 0.995 355 V HN 0.683 nan 8.190 nan 0.000 0.424 356 V N 3.676 123.673 119.914 0.138 0.000 2.427 356 V HA 0.563 4.683 4.120 0.002 0.000 0.286 356 V C 0.280 176.415 176.094 0.068 0.000 1.034 356 V CA -0.176 62.162 62.300 0.063 0.000 0.893 356 V CB 1.837 33.687 31.823 0.045 0.000 0.982 356 V HN 0.950 nan 8.190 nan 0.000 0.452 357 T N 5.262 119.837 114.554 0.036 0.000 2.824 357 T HA 0.459 4.810 4.350 0.002 0.000 0.282 357 T C -0.503 174.202 174.700 0.008 0.000 0.993 357 T CA -0.677 61.439 62.100 0.026 0.000 0.967 357 T CB 1.457 70.329 68.868 0.006 0.000 0.960 357 T HN 0.701 nan 8.240 nan 0.000 0.441 358 K N 3.872 124.269 120.400 -0.005 0.000 2.324 358 K HA 0.621 4.942 4.320 0.002 0.000 0.253 358 K C -1.515 175.061 176.600 -0.040 0.000 0.932 358 K CA -0.729 55.556 56.287 -0.003 0.000 0.799 358 K CB 1.268 33.774 32.500 0.010 0.000 1.154 358 K HN 0.606 nan 8.250 nan 0.000 0.425 359 I N 5.431 125.977 120.570 -0.039 0.000 2.466 359 I HA 0.319 4.490 4.170 0.002 0.000 0.289 359 I C -2.259 173.833 176.117 -0.041 0.000 1.026 359 I CA -2.692 58.577 61.300 -0.053 0.000 1.078 359 I CB 2.148 40.099 38.000 -0.083 0.000 1.249 359 I HN 0.485 nan 8.210 nan 0.000 0.429 360 P HA 0.151 nan 4.420 nan 0.000 0.272 360 P C -0.900 176.235 177.300 -0.274 0.000 1.230 360 P CA -0.463 62.502 63.100 -0.226 0.000 0.788 360 P CB 0.729 32.191 31.700 -0.396 0.000 0.949 361 R N 1.690 121.950 120.500 -0.399 0.000 2.437 361 R HA 0.583 4.924 4.340 0.002 0.000 0.310 361 R C -1.221 174.828 176.300 -0.418 0.000 0.955 361 R CA -0.505 55.457 56.100 -0.229 0.000 0.851 361 R CB -0.162 30.076 30.300 -0.103 0.000 1.161 361 R HN 0.266 nan 8.270 nan 0.000 0.446 362 F N 1.737 121.706 119.950 0.032 0.000 2.509 362 F HA 0.470 4.998 4.527 0.002 0.000 0.334 362 F C 0.923 176.685 175.800 -0.064 0.000 1.060 362 F CA -0.733 57.223 58.000 -0.073 0.000 0.997 362 F CB 1.751 40.723 39.000 -0.047 0.000 1.271 362 F HN 0.571 nan 8.300 nan 0.000 0.488 363 N N -0.375 118.350 118.700 0.042 0.000 2.390 363 N HA 0.184 4.925 4.740 0.002 0.000 0.259 363 N C 0.534 176.120 175.510 0.126 0.000 1.395 363 N CA 0.004 53.111 53.050 0.095 0.000 0.852 363 N CB 0.149 38.730 38.487 0.157 0.000 1.371 363 N HN 0.382 nan 8.380 nan 0.000 0.491 364 F N 1.985 122.073 119.950 0.229 0.000 2.225 364 F HA -0.244 4.284 4.527 0.002 0.000 0.302 364 F C 2.693 178.495 175.800 0.003 0.000 1.068 364 F CA 1.134 59.207 58.000 0.121 0.000 1.327 364 F CB -0.065 38.971 39.000 0.059 0.000 1.043 364 F HN 0.331 nan 8.300 nan 0.000 0.506 365 E N 1.115 121.397 120.200 0.136 0.000 2.338 365 E HA -0.201 4.150 4.350 0.002 0.000 0.197 365 E C 1.298 177.802 176.600 -0.161 0.000 1.007 365 E CA 1.108 57.507 56.400 -0.002 0.000 0.849 365 E CB -0.562 29.132 29.700 -0.010 0.000 0.774 365 E HN 0.430 nan 8.360 nan 0.000 0.506 366 K N -0.082 120.082 120.400 -0.394 0.000 2.393 366 K HA 0.116 4.437 4.320 0.002 0.000 0.193 366 K C -0.255 175.645 176.600 -1.165 0.000 1.026 366 K CA 0.160 55.949 56.287 -0.831 0.000 1.064 366 K CB 0.272 32.095 32.500 -1.128 0.000 0.833 366 K HN 0.082 nan 8.250 nan 0.000 0.521 367 F N -0.303 119.579 119.950 -0.113 0.000 2.646 367 F HA 0.342 4.870 4.527 0.001 0.000 0.336 367 F C 0.973 176.720 175.800 -0.088 0.000 1.437 367 F CA -0.834 57.079 58.000 -0.145 0.000 1.142 367 F CB 0.431 39.114 39.000 -0.527 0.000 1.530 367 F HN -0.172 nan 8.300 nan 0.000 0.591 368 A N 0.979 123.828 122.820 0.048 0.000 1.917 368 A HA -0.091 4.230 4.320 0.002 0.000 0.219 368 A C 2.453 180.065 177.584 0.047 0.000 1.182 368 A CA 2.152 54.210 52.037 0.035 0.000 0.633 368 A CB -1.076 17.925 19.000 0.002 0.000 0.819 368 A HN 0.701 nan 8.150 nan 0.000 0.448 369 G N -0.726 108.115 108.800 0.069 0.000 2.559 369 G HA2 0.272 4.233 3.960 0.002 0.000 0.216 369 G HA3 0.272 4.233 3.960 0.002 0.000 0.216 369 G C 0.761 175.713 174.900 0.087 0.000 1.126 369 G CA 0.783 45.922 45.100 0.066 0.000 0.778 369 G HN 0.878 nan 8.290 nan 0.000 0.543 370 A N 0.284 123.174 122.820 0.117 0.000 2.386 370 A HA 0.381 4.702 4.320 0.002 0.000 0.248 370 A C 0.551 178.198 177.584 0.103 0.000 1.082 370 A CA -0.488 51.644 52.037 0.158 0.000 0.789 370 A CB 0.244 19.315 19.000 0.119 0.000 1.025 370 A HN 0.264 nan 8.150 nan 0.000 0.490 371 N N 1.069 119.857 118.700 0.146 0.000 2.420 371 N HA 0.031 4.771 4.740 0.002 0.000 0.262 371 N C -0.549 174.956 175.510 -0.009 0.000 1.144 371 N CA 0.012 53.092 53.050 0.051 0.000 0.952 371 N CB 0.936 39.470 38.487 0.079 0.000 1.081 371 N HN 0.578 nan 8.380 nan 0.000 0.480 372 D N 2.268 122.486 120.400 -0.303 0.000 2.358 372 D HA 0.071 4.712 4.640 0.002 0.000 0.224 372 D C -0.133 175.743 176.300 -0.707 0.000 1.123 372 D CA -0.158 53.261 54.000 -0.968 0.000 0.833 372 D CB 0.143 40.263 40.800 -1.133 0.000 0.946 372 D HN 0.193 nan 8.370 nan 0.000 0.505 373 R N 0.767 121.100 120.500 -0.278 0.000 2.410 373 R HA 0.387 4.728 4.340 0.002 0.000 0.288 373 R C 0.294 176.584 176.300 -0.016 0.000 1.051 373 R CA -0.668 55.340 56.100 -0.152 0.000 1.021 373 R CB 1.246 31.495 30.300 -0.086 0.000 1.032 373 R HN 0.198 nan 8.270 nan 0.000 0.481 374 L N 1.458 122.688 121.223 0.012 0.000 2.380 374 L HA 0.261 4.602 4.340 0.002 0.000 0.273 374 L C 1.179 178.126 176.870 0.130 0.000 1.138 374 L CA 0.272 55.185 54.840 0.121 0.000 0.832 374 L CB 0.882 43.013 42.059 0.121 0.000 1.124 374 L HN 0.634 nan 8.230 nan 0.000 0.454 375 T N -0.905 113.747 114.554 0.162 0.000 2.572 375 T HA 0.181 4.532 4.350 0.002 0.000 0.274 375 T C 0.981 175.771 174.700 0.150 0.000 0.949 375 T CA 0.387 62.572 62.100 0.141 0.000 1.126 375 T CB 1.247 70.190 68.868 0.125 0.000 1.478 375 T HN 0.731 nan 8.240 nan 0.000 0.492 376 T N -0.539 114.086 114.554 0.118 0.000 3.055 376 T HA 0.155 4.506 4.350 0.002 0.000 0.265 376 T C 0.763 175.552 174.700 0.148 0.000 1.111 376 T CA 0.487 62.670 62.100 0.138 0.000 1.118 376 T CB -0.104 68.810 68.868 0.077 0.000 0.909 376 T HN 0.491 nan 8.240 nan 0.000 0.501 377 Q N 1.194 121.037 119.800 0.072 0.000 2.303 377 Q HA 0.375 4.716 4.340 0.002 0.000 0.257 377 Q C -0.549 175.421 176.000 -0.050 0.000 0.941 377 Q CA -0.475 55.317 55.803 -0.018 0.000 0.931 377 Q CB 0.852 29.564 28.738 -0.042 0.000 1.215 377 Q HN 0.433 nan 8.270 nan 0.000 0.437 378 M N 3.665 123.139 119.600 -0.210 0.000 2.250 378 M HA -0.068 4.413 4.480 0.002 0.000 0.337 378 M C 0.595 176.829 176.300 -0.110 0.000 1.161 378 M CA 1.313 56.504 55.300 -0.181 0.000 1.088 378 M CB 0.485 32.883 32.600 -0.337 0.000 1.639 378 M HN 0.594 nan 8.290 nan 0.000 0.447 379 K N 0.083 120.504 120.400 0.036 0.000 2.529 379 K HA 0.108 4.429 4.320 0.002 0.000 0.215 379 K C 0.030 176.648 176.600 0.030 0.000 1.286 379 K CA -0.075 56.249 56.287 0.062 0.000 0.997 379 K CB 0.832 33.577 32.500 0.410 0.000 1.063 379 K HN 0.777 nan 8.250 nan 0.000 0.590 380 S N 0.595 116.232 115.700 -0.105 0.000 2.576 380 S HA 0.094 4.565 4.470 0.002 0.000 0.276 380 S C 1.144 175.589 174.600 -0.259 0.000 1.339 380 S CA -0.711 57.221 58.200 -0.446 0.000 1.039 380 S CB 1.512 64.237 63.200 -0.792 0.000 0.902 380 S HN 0.053 nan 8.310 nan 0.000 0.516 381 V N -0.754 119.024 119.914 -0.226 0.000 3.621 381 V HA 0.641 4.762 4.120 0.002 0.000 0.285 381 V C 0.821 176.844 176.094 -0.118 0.000 1.346 381 V CA 0.648 62.873 62.300 -0.123 0.000 1.104 381 V CB -0.935 30.860 31.823 -0.047 0.000 0.913 381 V HN 1.189 nan 8.190 nan 0.000 0.432 382 G N 0.370 109.069 108.800 -0.168 0.000 2.490 382 G HA2 0.619 4.580 3.960 0.002 0.000 0.308 382 G HA3 0.619 4.580 3.960 0.002 0.000 0.308 382 G C -1.624 173.187 174.900 -0.148 0.000 1.286 382 G CA -0.005 45.020 45.100 -0.125 0.000 0.825 382 G HN 0.738 nan 8.290 nan 0.000 0.479 383 E N -2.149 117.995 120.200 -0.093 0.000 2.396 383 E HA 0.569 4.920 4.350 0.002 0.000 0.280 383 E C -2.189 174.394 176.600 -0.028 0.000 1.065 383 E CA -0.921 55.436 56.400 -0.072 0.000 0.831 383 E CB 2.058 31.718 29.700 -0.066 0.000 1.272 383 E HN 1.054 nan 8.360 nan 0.000 0.443 384 V N 2.244 122.155 119.914 -0.005 0.000 3.001 384 V HA 0.778 4.899 4.120 0.002 0.000 0.314 384 V C -1.107 175.032 176.094 0.075 0.000 1.099 384 V CA -0.748 61.571 62.300 0.032 0.000 0.989 384 V CB 2.012 33.848 31.823 0.022 0.000 1.040 384 V HN 0.845 nan 8.190 nan 0.000 0.434 385 M N 4.639 124.346 119.600 0.177 0.000 2.572 385 M HA 0.886 5.367 4.480 0.002 0.000 0.299 385 M C -1.293 175.188 176.300 0.301 0.000 1.205 385 M CA -0.486 54.944 55.300 0.217 0.000 0.876 385 M CB 2.117 34.871 32.600 0.256 0.000 1.728 385 M HN 0.909 nan 8.290 nan 0.000 0.458 386 A N 3.917 126.828 122.820 0.152 0.000 2.539 386 A HA 0.857 5.178 4.320 0.002 0.000 0.296 386 A C -1.654 175.925 177.584 -0.009 0.000 1.073 386 A CA -0.751 51.365 52.037 0.132 0.000 0.700 386 A CB 1.565 20.616 19.000 0.084 0.000 1.296 386 A HN 0.847 nan 8.150 nan 0.000 0.405 387 I N 1.082 121.608 120.570 -0.074 0.000 2.465 387 I HA 0.656 4.827 4.170 0.002 0.000 0.291 387 I C 0.466 176.456 176.117 -0.212 0.000 1.014 387 I CA -0.492 60.603 61.300 -0.342 0.000 1.093 387 I CB 2.244 39.720 38.000 -0.874 0.000 1.267 387 I HN 0.798 nan 8.210 nan 0.000 0.431 388 G N 4.061 112.771 108.800 -0.150 0.000 2.660 388 G HA2 0.379 4.339 3.960 0.002 0.000 0.294 388 G HA3 0.379 4.339 3.960 0.002 0.000 0.294 388 G C 0.117 175.082 174.900 0.109 0.000 1.369 388 G CA -0.498 44.626 45.100 0.040 0.000 0.912 388 G HN 0.450 nan 8.290 nan 0.000 0.479 389 R N -0.695 119.933 120.500 0.213 0.000 2.235 389 R HA 0.048 4.389 4.340 0.002 0.000 0.213 389 R C 1.001 177.404 176.300 0.170 0.000 1.059 389 R CA 1.204 57.444 56.100 0.233 0.000 0.997 389 R CB -0.173 30.268 30.300 0.236 0.000 0.884 389 R HN 0.715 nan 8.270 nan 0.000 0.462 390 T N -4.040 110.601 114.554 0.145 0.000 2.906 390 T HA 0.196 4.547 4.350 0.002 0.000 0.295 390 T C 0.684 175.466 174.700 0.136 0.000 1.075 390 T CA -0.880 61.300 62.100 0.132 0.000 1.005 390 T CB 2.300 71.226 68.868 0.096 0.000 1.136 390 T HN -0.198 nan 8.240 nan 0.000 0.498 391 Q N 0.593 120.493 119.800 0.167 0.000 2.181 391 Q HA -0.136 4.204 4.340 0.002 0.000 0.205 391 Q C 2.110 178.182 176.000 0.121 0.000 0.980 391 Q CA 1.966 57.891 55.803 0.202 0.000 0.862 391 Q CB -0.444 28.471 28.738 0.295 0.000 0.905 391 Q HN 0.811 nan 8.270 nan 0.000 0.429 392 Q N -0.245 119.589 119.800 0.057 0.000 2.046 392 Q HA -0.187 4.154 4.340 0.002 0.000 0.200 392 Q C 2.013 178.015 176.000 0.004 0.000 0.975 392 Q CA 1.559 57.374 55.803 0.020 0.000 0.836 392 Q CB -0.138 28.583 28.738 -0.028 0.000 0.896 392 Q HN 0.577 nan 8.270 nan 0.000 0.428 393 E N 0.076 120.292 120.200 0.026 0.000 2.051 393 E HA -0.210 4.141 4.350 0.002 0.000 0.192 393 E C 2.077 178.700 176.600 0.039 0.000 0.991 393 E CA 1.282 57.702 56.400 0.034 0.000 0.799 393 E CB -0.087 29.667 29.700 0.089 0.000 0.748 393 E HN 0.154 nan 8.360 nan 0.000 0.449 394 S N -0.047 115.688 115.700 0.059 0.000 2.353 394 S HA -0.192 4.279 4.470 0.002 0.000 0.222 394 S C 1.970 176.581 174.600 0.017 0.000 1.035 394 S CA 1.350 59.578 58.200 0.048 0.000 1.025 394 S CB -0.434 62.812 63.200 0.077 0.000 0.902 394 S HN 0.360 nan 8.310 nan 0.000 0.440 395 L N 1.914 123.147 121.223 0.016 0.000 1.989 395 L HA -0.085 4.256 4.340 0.002 0.000 0.211 395 L C 2.501 179.294 176.870 -0.128 0.000 1.071 395 L CA 2.021 56.832 54.840 -0.048 0.000 0.749 395 L CB -1.098 40.969 42.059 0.014 0.000 0.890 395 L HN 0.396 nan 8.230 nan 0.000 0.431 396 Q N -0.622 119.113 119.800 -0.109 0.000 2.167 396 Q HA -0.217 4.124 4.340 0.002 0.000 0.202 396 Q C 2.194 178.132 176.000 -0.105 0.000 0.970 396 Q CA 1.531 57.233 55.803 -0.169 0.000 0.855 396 Q CB -0.102 28.529 28.738 -0.178 0.000 0.911 396 Q HN 0.583 nan 8.270 nan 0.000 0.438 397 K N 0.276 120.652 120.400 -0.040 0.000 2.147 397 K HA -0.092 4.229 4.320 0.002 0.000 0.205 397 K C 2.042 178.644 176.600 0.002 0.000 1.049 397 K CA 1.042 57.336 56.287 0.010 0.000 0.936 397 K CB -0.064 32.471 32.500 0.057 0.000 0.722 397 K HN 0.105 nan 8.250 nan 0.000 0.446 398 A N 1.346 124.149 122.820 -0.028 0.000 1.897 398 A HA -0.086 4.235 4.320 0.002 0.000 0.215 398 A C 2.099 179.650 177.584 -0.055 0.000 1.181 398 A CA 0.992 53.012 52.037 -0.028 0.000 0.620 398 A CB -0.518 18.452 19.000 -0.050 0.000 0.821 398 A HN 0.127 nan 8.150 nan 0.000 0.443 399 L N -0.234 120.910 121.223 -0.132 0.000 2.012 399 L HA -0.239 4.102 4.340 0.002 0.000 0.210 399 L C 2.738 179.609 176.870 0.001 0.000 1.073 399 L CA 2.002 56.766 54.840 -0.126 0.000 0.748 399 L CB -0.452 41.399 42.059 -0.346 0.000 0.891 399 L HN 0.600 nan 8.230 nan 0.000 0.431 400 R N -0.069 120.424 120.500 -0.013 0.000 2.307 400 R HA 0.011 4.352 4.340 0.002 0.000 0.199 400 R C 1.689 178.006 176.300 0.027 0.000 1.000 400 R CA 1.041 57.154 56.100 0.023 0.000 1.023 400 R CB -0.490 29.825 30.300 0.025 0.000 0.908 400 R HN 0.208 nan 8.270 nan 0.000 0.473 401 G N 0.477 109.291 108.800 0.024 0.000 3.126 401 G HA2 -0.010 3.951 3.960 0.002 0.000 0.224 401 G HA3 -0.010 3.951 3.960 0.002 0.000 0.224 401 G C 0.928 175.840 174.900 0.020 0.000 1.142 401 G CA -0.391 44.722 45.100 0.022 0.000 0.759 401 G HN 0.213 nan 8.290 nan 0.000 0.550 402 L N 0.457 121.704 121.223 0.039 0.000 2.456 402 L HA 0.138 4.479 4.340 0.002 0.000 0.224 402 L C 1.088 177.986 176.870 0.046 0.000 1.148 402 L CA 0.805 55.680 54.840 0.057 0.000 0.825 402 L CB -0.179 41.951 42.059 0.119 0.000 0.937 402 L HN 0.196 nan 8.230 nan 0.000 0.450 403 E N -1.215 119.001 120.200 0.026 0.000 2.637 403 E HA -0.196 4.155 4.350 0.002 0.000 0.265 403 E C 0.912 177.514 176.600 0.004 0.000 1.073 403 E CA 0.979 57.380 56.400 0.003 0.000 0.778 403 E CB -2.270 27.421 29.700 -0.015 0.000 1.362 403 E HN 0.492 nan 8.360 nan 0.000 0.413 404 V N -4.227 115.696 119.914 0.015 0.000 3.528 404 V HA 0.587 4.708 4.120 0.002 0.000 0.294 404 V C 1.355 177.403 176.094 -0.076 0.000 1.404 404 V CA 0.975 63.262 62.300 -0.023 0.000 1.065 404 V CB 0.717 32.532 31.823 -0.013 0.000 0.904 404 V HN 0.558 nan 8.190 nan 0.000 0.435 405 G N 0.149 108.921 108.800 -0.046 0.000 2.157 405 G HA2 -0.060 3.901 3.960 0.002 0.000 0.248 405 G HA3 -0.060 3.901 3.960 0.002 0.000 0.248 405 G C 0.385 175.249 174.900 -0.059 0.000 0.979 405 G CA 0.247 45.312 45.100 -0.059 0.000 0.650 405 G HN 1.600 nan 8.290 nan 0.000 0.529 406 A N -0.177 122.627 122.820 -0.027 0.000 2.304 406 A HA 0.810 5.130 4.320 0.002 0.000 0.271 406 A C 1.334 178.957 177.584 0.066 0.000 1.091 406 A CA 1.135 53.195 52.037 0.039 0.000 0.812 406 A CB 0.630 19.777 19.000 0.245 0.000 1.056 406 A HN 1.477 nan 8.150 nan 0.000 0.489 407 T N -2.246 112.360 114.554 0.086 0.000 3.091 407 T HA 0.558 4.909 4.350 0.002 0.000 0.277 407 T C 0.774 175.525 174.700 0.085 0.000 0.996 407 T CA 0.883 63.028 62.100 0.075 0.000 0.897 407 T CB -0.171 68.742 68.868 0.074 0.000 1.109 407 T HN 2.317 nan 8.240 nan 0.000 0.534 408 G N 1.663 110.515 108.800 0.087 0.000 2.286 408 G HA2 0.147 4.108 3.960 0.002 0.000 0.118 408 G HA3 0.147 4.108 3.960 0.002 0.000 0.118 408 G C -1.169 173.762 174.900 0.051 0.000 1.267 408 G CA -0.751 44.336 45.100 -0.021 0.000 1.171 408 G HN 0.141 nan 8.290 nan 0.000 0.465 409 F N 3.413 123.475 119.950 0.187 0.000 2.783 409 F HA 0.341 4.869 4.527 0.002 0.000 0.338 409 F C 0.420 176.406 175.800 0.310 0.000 1.178 409 F CA -0.319 57.823 58.000 0.237 0.000 1.343 409 F CB -0.519 38.550 39.000 0.116 0.000 1.496 409 F HN 0.145 nan 8.300 nan 0.000 0.583 410 D N 3.015 123.676 120.400 0.435 0.000 2.488 410 D HA 0.003 4.644 4.640 0.002 0.000 0.238 410 D C -2.116 174.293 176.300 0.183 0.000 1.138 410 D CA -0.725 53.405 54.000 0.217 0.000 0.873 410 D CB 0.189 41.019 40.800 0.050 0.000 1.183 410 D HN 0.107 nan 8.370 nan 0.000 0.458 411 P HA 0.017 nan 4.420 nan 0.000 0.268 411 P C -0.019 177.245 177.300 -0.060 0.000 1.205 411 P CA -0.259 62.866 63.100 0.043 0.000 0.771 411 P CB 1.204 32.927 31.700 0.038 0.000 0.858 412 K N 1.642 121.963 120.400 -0.131 0.000 2.287 412 K HA 0.110 4.431 4.320 0.002 0.000 0.199 412 K C 0.510 177.062 176.600 -0.080 0.000 1.061 412 K CA 0.754 56.906 56.287 -0.225 0.000 0.976 412 K CB 0.027 32.125 32.500 -0.671 0.000 0.898 412 K HN 0.439 nan 8.250 nan 0.000 0.492 413 V N -1.998 117.901 119.914 -0.024 0.000 3.103 413 V HA 0.548 4.669 4.120 0.002 0.000 0.318 413 V C -0.013 176.100 176.094 0.031 0.000 1.114 413 V CA -1.213 61.113 62.300 0.043 0.000 1.020 413 V CB 1.668 33.554 31.823 0.105 0.000 1.085 413 V HN -0.079 nan 8.190 nan 0.000 0.446 414 S N 0.017 115.737 115.700 0.034 0.000 2.537 414 S HA 0.529 5.000 4.470 0.002 0.000 0.275 414 S C 0.896 175.517 174.600 0.034 0.000 1.272 414 S CA -0.645 57.572 58.200 0.028 0.000 1.050 414 S CB 0.658 63.872 63.200 0.022 0.000 0.961 414 S HN 0.683 nan 8.310 nan 0.000 0.496 415 L N 2.716 123.959 121.223 0.033 0.000 2.083 415 L HA -0.086 4.255 4.340 0.002 0.000 0.209 415 L C 1.863 178.751 176.870 0.030 0.000 1.083 415 L CA 1.143 56.004 54.840 0.035 0.000 0.752 415 L CB -0.460 41.620 42.059 0.035 0.000 0.899 415 L HN 0.670 nan 8.230 nan 0.000 0.433 416 D N -1.435 118.980 120.400 0.025 0.000 2.363 416 D HA -0.095 4.546 4.640 0.002 0.000 0.226 416 D C 0.504 176.816 176.300 0.020 0.000 1.020 416 D CA 0.087 54.100 54.000 0.021 0.000 0.892 416 D CB -0.627 40.183 40.800 0.017 0.000 0.900 416 D HN 0.202 nan 8.370 nan 0.000 0.531 417 D N 1.458 121.872 120.400 0.024 0.000 2.325 417 D HA 0.079 4.720 4.640 0.002 0.000 0.251 417 D C -1.490 174.824 176.300 0.023 0.000 1.196 417 D CA -2.162 51.852 54.000 0.023 0.000 0.866 417 D CB 1.819 42.635 40.800 0.028 0.000 1.101 417 D HN -0.129 nan 8.370 nan 0.000 0.476 418 P HA -0.061 nan 4.420 nan 0.000 0.223 418 P C 0.525 177.834 177.300 0.014 0.000 1.151 418 P CA 0.896 64.005 63.100 0.015 0.000 0.787 418 P CB 0.401 32.108 31.700 0.011 0.000 0.788 419 E N -0.810 119.399 120.200 0.015 0.000 2.472 419 E HA 0.155 4.506 4.350 0.002 0.000 0.196 419 E C 1.923 178.535 176.600 0.020 0.000 1.033 419 E CA 0.193 56.600 56.400 0.012 0.000 0.886 419 E CB -0.087 29.617 29.700 0.007 0.000 0.944 419 E HN 0.104 nan 8.360 nan 0.000 0.492 420 A N 1.900 124.740 122.820 0.032 0.000 1.896 420 A HA -0.245 4.076 4.320 0.002 0.000 0.220 420 A C 2.187 179.801 177.584 0.049 0.000 1.206 420 A CA 1.428 53.496 52.037 0.052 0.000 0.647 420 A CB -0.891 18.144 19.000 0.059 0.000 0.828 420 A HN 0.222 nan 8.150 nan 0.000 0.455 421 L N -1.144 120.100 121.223 0.034 0.000 2.127 421 L HA -0.179 4.162 4.340 0.002 0.000 0.211 421 L C 2.791 179.664 176.870 0.006 0.000 1.089 421 L CA 1.733 56.587 54.840 0.024 0.000 0.757 421 L CB -0.587 41.483 42.059 0.019 0.000 0.899 421 L HN 0.424 nan 8.230 nan 0.000 0.434 422 T N -0.401 114.154 114.554 0.001 0.000 2.777 422 T HA -0.153 4.198 4.350 0.002 0.000 0.266 422 T C 1.818 176.496 174.700 -0.037 0.000 1.040 422 T CA 1.351 63.441 62.100 -0.017 0.000 1.141 422 T CB 0.041 68.900 68.868 -0.015 0.000 0.868 422 T HN 0.359 nan 8.240 nan 0.000 0.444 423 K N 0.701 121.085 120.400 -0.028 0.000 2.103 423 K HA 0.143 4.464 4.320 0.002 0.000 0.204 423 K C 2.076 178.598 176.600 -0.130 0.000 1.052 423 K CA 0.874 57.120 56.287 -0.068 0.000 0.945 423 K CB -0.235 32.255 32.500 -0.017 0.000 0.722 423 K HN 0.271 nan 8.250 nan 0.000 0.443 424 I N 1.337 121.892 120.570 -0.025 0.000 2.179 424 I HA -0.269 3.902 4.170 0.002 0.000 0.242 424 I C 2.792 178.859 176.117 -0.084 0.000 1.088 424 I CA 1.143 62.446 61.300 0.005 0.000 1.357 424 I CB -0.202 37.860 38.000 0.104 0.000 1.051 424 I HN 0.161 nan 8.210 nan 0.000 0.409 425 R N 0.826 121.289 120.500 -0.061 0.000 2.096 425 R HA -0.241 4.100 4.340 0.002 0.000 0.240 425 R C 2.567 178.806 176.300 -0.102 0.000 1.139 425 R CA 1.610 57.669 56.100 -0.067 0.000 0.952 425 R CB -0.293 29.979 30.300 -0.047 0.000 0.854 425 R HN 0.188 nan 8.270 nan 0.000 0.436 426 R N 1.022 121.446 120.500 -0.127 0.000 2.073 426 R HA -0.117 4.224 4.340 0.002 0.000 0.234 426 R C 1.685 177.868 176.300 -0.195 0.000 1.134 426 R CA 1.702 57.713 56.100 -0.149 0.000 0.952 426 R CB -0.473 29.737 30.300 -0.150 0.000 0.850 426 R HN 0.278 nan 8.270 nan 0.000 0.433 427 E N 0.477 120.495 120.200 -0.304 0.000 2.333 427 E HA -0.137 4.214 4.350 0.002 0.000 0.198 427 E C 1.834 178.314 176.600 -0.199 0.000 1.007 427 E CA 0.625 56.797 56.400 -0.380 0.000 0.845 427 E CB 0.023 29.156 29.700 -0.945 0.000 0.766 427 E HN 0.195 nan 8.360 nan 0.000 0.507 428 L N 0.367 121.506 121.223 -0.140 0.000 2.221 428 L HA 0.034 4.375 4.340 0.002 0.000 0.202 428 L C 2.293 179.119 176.870 -0.073 0.000 1.074 428 L CA 1.174 55.971 54.840 -0.071 0.000 0.795 428 L CB -0.376 41.646 42.059 -0.062 0.000 0.960 428 L HN -0.082 nan 8.230 nan 0.000 0.458 429 K N -0.517 119.831 120.400 -0.087 0.000 2.057 429 K HA -0.084 4.237 4.320 0.002 0.000 0.206 429 K C -0.299 176.252 176.600 -0.081 0.000 1.050 429 K CA 1.176 57.414 56.287 -0.081 0.000 0.935 429 K CB 0.217 32.666 32.500 -0.085 0.000 0.715 429 K HN 0.206 nan 8.250 nan 0.000 0.439 430 D N 0.753 121.094 120.400 -0.098 0.000 2.432 430 D HA 0.170 4.810 4.640 0.002 0.000 0.265 430 D C -1.144 175.100 176.300 -0.092 0.000 1.160 430 D CA -0.120 53.824 54.000 -0.094 0.000 0.911 430 D CB 1.311 42.039 40.800 -0.121 0.000 1.052 430 D HN 0.223 nan 8.370 nan 0.000 0.508 431 A N 1.506 124.294 122.820 -0.052 0.000 2.565 431 A HA 0.481 4.802 4.320 0.002 0.000 0.237 431 A C 0.892 178.434 177.584 -0.070 0.000 1.053 431 A CA 0.430 52.446 52.037 -0.035 0.000 0.755 431 A CB 0.437 19.448 19.000 0.018 0.000 0.980 431 A HN 0.510 nan 8.150 nan 0.000 0.506 432 G N -0.667 108.079 108.800 -0.091 0.000 3.140 432 G HA2 0.580 4.541 3.960 0.002 0.000 0.271 432 G HA3 0.580 4.541 3.960 0.002 0.000 0.271 432 G C 0.846 175.646 174.900 -0.167 0.000 1.370 432 G CA 0.094 45.085 45.100 -0.183 0.000 1.014 432 G HN 1.342 nan 8.290 nan 0.000 0.541 433 A N -0.806 121.848 122.820 -0.276 0.000 2.070 433 A HA 0.050 4.371 4.320 0.002 0.000 0.220 433 A C 1.520 179.214 177.584 0.183 0.000 1.159 433 A CA 1.941 53.794 52.037 -0.307 0.000 0.656 433 A CB -0.179 18.715 19.000 -0.177 0.000 0.800 433 A HN 0.405 nan 8.150 nan 0.000 0.453 434 D N -1.193 119.366 120.400 0.265 0.000 2.339 434 D HA 0.032 4.673 4.640 0.002 0.000 0.217 434 D C 1.724 178.402 176.300 0.630 0.000 1.050 434 D CA 0.080 54.426 54.000 0.577 0.000 0.856 434 D CB -0.216 40.911 40.800 0.545 0.000 0.922 434 D HN 0.489 nan 8.370 nan 0.000 0.518 435 R N 0.632 121.351 120.500 0.365 0.000 2.159 435 R HA -0.248 4.093 4.340 0.002 0.000 0.252 435 R C 1.987 178.452 176.300 0.275 0.000 1.144 435 R CA 1.321 57.601 56.100 0.300 0.000 0.961 435 R CB -0.407 29.990 30.300 0.162 0.000 0.877 435 R HN 0.090 nan 8.270 nan 0.000 0.444 436 I N 0.404 121.028 120.570 0.090 0.000 2.118 436 I HA -0.320 3.851 4.170 0.002 0.000 0.241 436 I C 1.830 177.925 176.117 -0.036 0.000 1.070 436 I CA 1.621 62.844 61.300 -0.129 0.000 1.327 436 I CB -0.470 37.159 38.000 -0.618 0.000 1.034 436 I HN 0.343 nan 8.210 nan 0.000 0.405 437 W N -0.844 120.540 121.300 0.140 0.000 2.388 437 W HA -0.223 4.438 4.660 0.002 0.000 0.294 437 W C 2.594 179.064 176.519 -0.083 0.000 1.212 437 W CA 0.917 58.287 57.345 0.041 0.000 1.271 437 W CB -1.299 28.087 29.460 -0.124 0.000 1.126 437 W HN 0.215 nan 8.180 nan 0.000 0.535 438 Y N 0.303 120.769 120.300 0.277 0.000 2.352 438 Y HA -0.153 4.398 4.550 0.002 0.000 0.292 438 Y C 2.425 178.348 175.900 0.038 0.000 1.136 438 Y CA 1.155 59.336 58.100 0.135 0.000 1.227 438 Y CB -0.966 37.545 38.460 0.085 0.000 0.991 438 Y HN -0.161 nan 8.280 nan 0.000 0.545 439 I N -0.692 119.985 120.570 0.178 0.000 2.226 439 I HA -0.349 3.822 4.170 0.002 0.000 0.245 439 I C 2.537 178.571 176.117 -0.138 0.000 1.100 439 I CA 1.285 62.579 61.300 -0.011 0.000 1.374 439 I CB -0.503 37.546 38.000 0.083 0.000 1.057 439 I HN 0.189 nan 8.210 nan 0.000 0.413 440 A N 0.061 122.894 122.820 0.022 0.000 1.930 440 A HA -0.223 4.098 4.320 0.002 0.000 0.217 440 A C 1.922 179.543 177.584 0.061 0.000 1.175 440 A CA 1.895 53.950 52.037 0.031 0.000 0.627 440 A CB -0.506 18.516 19.000 0.036 0.000 0.815 440 A HN 0.326 nan 8.150 nan 0.000 0.443 441 D N -0.012 120.421 120.400 0.054 0.000 2.178 441 D HA 0.013 4.654 4.640 0.002 0.000 0.202 441 D C 2.190 178.510 176.300 0.034 0.000 0.974 441 D CA 1.221 55.256 54.000 0.058 0.000 0.841 441 D CB -0.285 40.541 40.800 0.043 0.000 0.953 441 D HN 0.413 nan 8.370 nan 0.000 0.478 442 A N 0.288 123.075 122.820 -0.056 0.000 1.902 442 A HA -0.174 4.147 4.320 0.002 0.000 0.217 442 A C 1.920 179.444 177.584 -0.101 0.000 1.181 442 A CA 1.041 52.995 52.037 -0.137 0.000 0.623 442 A CB -0.882 17.946 19.000 -0.287 0.000 0.818 442 A HN 0.131 nan 8.150 nan 0.000 0.443 443 F N -0.016 119.958 119.950 0.041 0.000 2.146 443 F HA -0.069 4.459 4.527 0.002 0.000 0.298 443 F C 2.470 178.285 175.800 0.024 0.000 1.096 443 F CA 1.367 59.380 58.000 0.021 0.000 1.275 443 F CB -0.638 38.358 39.000 -0.007 0.000 1.008 443 F HN 0.120 nan 8.300 nan 0.000 0.480 444 R N -0.038 120.575 120.500 0.188 0.000 2.193 444 R HA -0.005 4.336 4.340 0.002 0.000 0.229 444 R C 1.961 178.318 176.300 0.095 0.000 1.110 444 R CA 0.966 57.141 56.100 0.125 0.000 0.988 444 R CB -0.544 29.816 30.300 0.100 0.000 0.871 444 R HN 0.239 nan 8.270 nan 0.000 0.458 445 A N -0.050 122.822 122.820 0.087 0.000 2.275 445 A HA 0.300 4.621 4.320 0.002 0.000 0.212 445 A C 1.312 178.937 177.584 0.069 0.000 1.201 445 A CA 0.594 52.671 52.037 0.067 0.000 0.843 445 A CB 0.243 19.276 19.000 0.055 0.000 0.873 445 A HN 0.396 nan 8.150 nan 0.000 0.492 446 G N -1.276 107.582 108.800 0.095 0.000 2.144 446 G HA2 -0.164 3.797 3.960 0.002 0.000 0.218 446 G HA3 -0.164 3.797 3.960 0.002 0.000 0.218 446 G C -0.008 174.953 174.900 0.101 0.000 0.988 446 G CA 0.068 45.224 45.100 0.093 0.000 0.659 446 G HN 0.370 nan 8.290 nan 0.000 0.522 447 L N 2.042 123.331 121.223 0.109 0.000 2.350 447 L HA 0.579 4.919 4.340 0.002 0.000 0.275 447 L C 1.462 178.458 176.870 0.212 0.000 1.099 447 L CA -0.082 54.816 54.840 0.096 0.000 0.808 447 L CB 1.424 43.486 42.059 0.006 0.000 1.149 447 L HN 0.444 nan 8.230 nan 0.000 0.442 448 S N 1.676 117.490 115.700 0.189 0.000 2.655 448 S HA 0.200 4.671 4.470 0.002 0.000 0.265 448 S C 1.049 175.879 174.600 0.383 0.000 1.240 448 S CA -0.900 57.450 58.200 0.250 0.000 0.986 448 S CB 1.496 64.783 63.200 0.144 0.000 0.985 448 S HN 0.333 nan 8.310 nan 0.000 0.562 449 V N 1.099 121.239 119.914 0.378 0.000 2.343 449 V HA -0.142 3.979 4.120 0.002 0.000 0.247 449 V C 2.195 178.462 176.094 0.289 0.000 1.051 449 V CA 2.256 64.801 62.300 0.408 0.000 1.036 449 V CB -1.028 30.901 31.823 0.176 0.000 0.654 449 V HN 0.847 nan 8.190 nan 0.000 0.451 450 D N 0.392 120.908 120.400 0.192 0.000 2.144 450 D HA -0.103 4.538 4.640 0.002 0.000 0.199 450 D C 2.167 178.592 176.300 0.207 0.000 0.984 450 D CA 1.495 55.601 54.000 0.176 0.000 0.834 450 D CB -0.587 40.273 40.800 0.100 0.000 0.955 450 D HN 0.453 nan 8.370 nan 0.000 0.465 451 G N 0.475 109.372 108.800 0.162 0.000 2.433 451 G HA2 -0.219 3.742 3.960 0.002 0.000 0.216 451 G HA3 -0.219 3.742 3.960 0.002 0.000 0.216 451 G C 1.861 176.819 174.900 0.096 0.000 1.186 451 G CA 0.892 46.060 45.100 0.114 0.000 0.779 451 G HN 0.240 nan 8.290 nan 0.000 0.543 452 V N 0.563 120.534 119.914 0.094 0.000 2.295 452 V HA -0.159 3.962 4.120 0.002 0.000 0.246 452 V C 2.340 178.472 176.094 0.064 0.000 1.049 452 V CA 1.960 64.273 62.300 0.022 0.000 1.024 452 V CB -0.717 31.054 31.823 -0.086 0.000 0.648 452 V HN 0.383 nan 8.190 nan 0.000 0.447 453 F N 2.003 121.984 119.950 0.052 0.000 2.063 453 F HA -0.277 4.251 4.527 0.002 0.000 0.298 453 F C 2.373 178.194 175.800 0.035 0.000 1.109 453 F CA 2.298 60.327 58.000 0.048 0.000 1.212 453 F CB -0.489 38.548 39.000 0.062 0.000 0.973 453 F HN 0.195 nan 8.300 nan 0.000 0.480 454 N N 0.756 119.525 118.700 0.114 0.000 2.149 454 N HA -0.191 4.550 4.740 0.002 0.000 0.188 454 N C 1.935 177.380 175.510 -0.109 0.000 1.019 454 N CA 1.919 54.985 53.050 0.027 0.000 0.857 454 N CB -0.589 37.977 38.487 0.132 0.000 0.997 454 N HN 0.394 nan 8.380 nan 0.000 0.426 455 L N -0.041 121.130 121.223 -0.088 0.000 2.209 455 L HA -0.013 4.328 4.340 0.002 0.000 0.207 455 L C 2.211 178.999 176.870 -0.137 0.000 1.094 455 L CA 1.275 56.060 54.840 -0.092 0.000 0.790 455 L CB -0.367 41.653 42.059 -0.065 0.000 0.932 455 L HN 0.287 nan 8.230 nan 0.000 0.447 456 T N -5.350 109.089 114.554 -0.192 0.000 3.015 456 T HA 0.111 4.462 4.350 0.002 0.000 0.250 456 T C 0.859 175.386 174.700 -0.289 0.000 1.057 456 T CA 0.483 62.470 62.100 -0.188 0.000 1.066 456 T CB -0.051 68.742 68.868 -0.125 0.000 0.959 456 T HN 0.311 nan 8.240 nan 0.000 0.488 457 N N 0.350 118.690 118.700 -0.600 0.000 2.828 457 N HA -0.119 4.622 4.740 0.002 0.000 0.248 457 N C -0.803 174.500 175.510 -0.346 0.000 1.044 457 N CA 0.645 53.275 53.050 -0.700 0.000 0.851 457 N CB -1.828 36.473 38.487 -0.309 0.000 1.136 457 N HN 0.558 nan 8.380 nan 0.000 0.572 458 I N 1.111 121.532 120.570 -0.249 0.000 2.416 458 I HA 0.029 4.200 4.170 0.002 0.000 0.288 458 I C 0.872 177.109 176.117 0.200 0.000 1.051 458 I CA -0.190 61.026 61.300 -0.140 0.000 1.375 458 I CB 0.431 38.198 38.000 -0.387 0.000 1.407 458 I HN 0.130 nan 8.210 nan 0.000 0.516 459 D N 6.131 126.727 120.400 0.327 0.000 2.583 459 D HA -0.077 4.564 4.640 0.002 0.000 0.232 459 D C 1.211 177.741 176.300 0.384 0.000 1.128 459 D CA 0.429 54.686 54.000 0.429 0.000 0.859 459 D CB 0.807 41.827 40.800 0.366 0.000 1.169 459 D HN 0.492 nan 8.370 nan 0.000 0.481 460 R N 2.890 123.550 120.500 0.268 0.000 2.139 460 R HA -0.210 4.131 4.340 0.002 0.000 0.243 460 R C 1.978 178.359 176.300 0.134 0.000 1.145 460 R CA 1.376 57.581 56.100 0.175 0.000 0.976 460 R CB -0.204 30.117 30.300 0.035 0.000 0.866 460 R HN 0.658 nan 8.270 nan 0.000 0.449 461 W N 0.850 122.113 121.300 -0.062 0.000 2.308 461 W HA -0.237 4.424 4.660 0.002 0.000 0.301 461 W C 1.284 177.707 176.519 -0.161 0.000 1.220 461 W CA 1.606 58.844 57.345 -0.179 0.000 1.240 461 W CB -0.223 29.029 29.460 -0.347 0.000 1.142 461 W HN -0.020 nan 8.180 nan 0.000 0.521 462 F N -0.487 119.606 119.950 0.239 0.000 2.270 462 F HA -0.021 4.507 4.527 0.002 0.000 0.295 462 F C 2.242 178.089 175.800 0.078 0.000 1.087 462 F CA 1.106 59.198 58.000 0.153 0.000 1.365 462 F CB -1.145 38.018 39.000 0.272 0.000 1.056 462 F HN -0.240 nan 8.300 nan 0.000 0.506 463 L N 0.183 121.580 121.223 0.289 0.000 2.012 463 L HA -0.215 4.126 4.340 0.002 0.000 0.210 463 L C 2.641 179.564 176.870 0.090 0.000 1.073 463 L CA 1.530 56.540 54.840 0.283 0.000 0.748 463 L CB -1.203 41.066 42.059 0.350 0.000 0.891 463 L HN 0.157 nan 8.230 nan 0.000 0.431 464 V N -2.433 117.452 119.914 -0.049 0.000 2.324 464 V HA -0.329 3.792 4.120 0.002 0.000 0.250 464 V C 2.215 178.168 176.094 -0.234 0.000 1.060 464 V CA 1.803 63.986 62.300 -0.194 0.000 1.042 464 V CB -1.005 30.705 31.823 -0.189 0.000 0.650 464 V HN 0.518 nan 8.190 nan 0.000 0.450 465 Q N 0.062 119.739 119.800 -0.206 0.000 2.119 465 Q HA -0.017 4.324 4.340 0.002 0.000 0.201 465 Q C 2.319 178.238 176.000 -0.135 0.000 0.972 465 Q CA 2.097 57.787 55.803 -0.189 0.000 0.847 465 Q CB -0.264 28.341 28.738 -0.221 0.000 0.903 465 Q HN 0.699 nan 8.270 nan 0.000 0.433 466 I N 0.420 120.940 120.570 -0.084 0.000 2.353 466 I HA -0.203 3.968 4.170 0.002 0.000 0.248 466 I C 2.393 178.363 176.117 -0.245 0.000 1.119 466 I CA 0.834 62.029 61.300 -0.175 0.000 1.417 466 I CB -0.215 37.760 38.000 -0.042 0.000 1.078 466 I HN 0.246 nan 8.210 nan 0.000 0.421 467 E N 1.249 121.164 120.200 -0.474 0.000 2.085 467 E HA -0.314 4.037 4.350 0.002 0.000 0.194 467 E C 2.085 178.477 176.600 -0.347 0.000 0.994 467 E CA 1.517 57.437 56.400 -0.799 0.000 0.801 467 E CB 0.011 28.925 29.700 -1.308 0.000 0.743 467 E HN 0.470 nan 8.360 nan 0.000 0.453 468 E N 0.212 120.264 120.200 -0.247 0.000 2.153 468 E HA -0.189 4.162 4.350 0.002 0.000 0.194 468 E C 2.150 178.745 176.600 -0.007 0.000 0.988 468 E CA 0.737 57.068 56.400 -0.115 0.000 0.811 468 E CB -0.016 29.626 29.700 -0.097 0.000 0.746 468 E HN 0.317 nan 8.360 nan 0.000 0.466 469 L N 0.062 121.274 121.223 -0.019 0.000 2.156 469 L HA -0.121 4.220 4.340 0.002 0.000 0.208 469 L C 2.449 179.446 176.870 0.211 0.000 1.095 469 L CA 0.374 55.307 54.840 0.154 0.000 0.770 469 L CB -0.234 41.798 42.059 -0.044 0.000 0.914 469 L HN 0.077 nan 8.230 nan 0.000 0.439 470 V N -0.111 119.827 119.914 0.039 0.000 2.237 470 V HA -0.241 3.880 4.120 0.002 0.000 0.245 470 V C 2.724 178.858 176.094 0.067 0.000 1.046 470 V CA 1.585 63.925 62.300 0.067 0.000 1.007 470 V CB -0.585 31.273 31.823 0.060 0.000 0.638 470 V HN 0.428 nan 8.190 nan 0.000 0.445 471 R N -0.044 120.469 120.500 0.021 0.000 2.096 471 R HA -0.174 4.167 4.340 0.002 0.000 0.240 471 R C 2.245 178.571 176.300 0.043 0.000 1.139 471 R CA 1.582 57.691 56.100 0.015 0.000 0.952 471 R CB -1.199 29.088 30.300 -0.022 0.000 0.854 471 R HN 0.428 nan 8.270 nan 0.000 0.436 472 L N 0.972 122.245 121.223 0.083 0.000 2.079 472 L HA -0.181 4.160 4.340 0.002 0.000 0.210 472 L C 2.547 179.420 176.870 0.004 0.000 1.081 472 L CA 1.413 56.312 54.840 0.098 0.000 0.752 472 L CB -0.336 41.833 42.059 0.183 0.000 0.896 472 L HN 0.283 nan 8.230 nan 0.000 0.433 473 E N -0.219 119.984 120.200 0.006 0.000 2.072 473 E HA -0.214 4.137 4.350 0.002 0.000 0.191 473 E C 2.031 178.635 176.600 0.007 0.000 0.985 473 E CA 1.028 57.406 56.400 -0.037 0.000 0.801 473 E CB -0.005 29.753 29.700 0.096 0.000 0.750 473 E HN 0.549 nan 8.360 nan 0.000 0.452 474 E N 0.948 121.169 120.200 0.034 0.000 2.118 474 E HA -0.243 4.108 4.350 0.002 0.000 0.195 474 E C 2.088 178.701 176.600 0.022 0.000 0.992 474 E CA 1.156 57.574 56.400 0.030 0.000 0.804 474 E CB -0.099 29.620 29.700 0.030 0.000 0.741 474 E HN 0.092 nan 8.360 nan 0.000 0.458 475 K N 1.052 121.468 120.400 0.027 0.000 2.057 475 K HA -0.127 4.194 4.320 0.002 0.000 0.206 475 K C 2.052 178.697 176.600 0.075 0.000 1.050 475 K CA 1.101 57.402 56.287 0.023 0.000 0.935 475 K CB 0.043 32.539 32.500 -0.007 0.000 0.715 475 K HN -0.057 nan 8.250 nan 0.000 0.439 476 V N 1.392 121.368 119.914 0.105 0.000 2.407 476 V HA -0.221 3.900 4.120 0.002 0.000 0.248 476 V C 2.451 178.569 176.094 0.039 0.000 1.055 476 V CA 1.942 64.295 62.300 0.088 0.000 1.049 476 V CB -0.646 31.138 31.823 -0.065 0.000 0.662 476 V HN 0.534 nan 8.190 nan 0.000 0.455 477 A N -0.703 122.129 122.820 0.021 0.000 1.968 477 A HA -0.197 4.124 4.320 0.002 0.000 0.217 477 A C 2.300 179.895 177.584 0.018 0.000 1.169 477 A CA 1.694 53.741 52.037 0.017 0.000 0.638 477 A CB -0.307 18.705 19.000 0.019 0.000 0.812 477 A HN 0.611 nan 8.150 nan 0.000 0.446 478 E N 0.096 120.306 120.200 0.017 0.000 2.060 478 E HA -0.099 4.251 4.350 0.002 0.000 0.189 478 E C 1.976 178.581 176.600 0.008 0.000 0.974 478 E CA 1.405 57.809 56.400 0.008 0.000 0.808 478 E CB -0.053 29.645 29.700 -0.003 0.000 0.768 478 E HN 0.475 nan 8.360 nan 0.000 0.453 479 V N -1.572 118.352 119.914 0.017 0.000 2.667 479 V HA 0.184 4.305 4.120 0.002 0.000 0.252 479 V C 1.251 177.367 176.094 0.037 0.000 1.065 479 V CA 0.869 63.181 62.300 0.021 0.000 1.083 479 V CB -1.121 30.718 31.823 0.026 0.000 0.692 479 V HN 0.405 nan 8.190 nan 0.000 0.468 480 G N 0.220 109.046 108.800 0.042 0.000 2.752 480 G HA2 -0.330 3.631 3.960 0.002 0.000 0.234 480 G HA3 -0.330 3.631 3.960 0.002 0.000 0.234 480 G C 0.316 175.242 174.900 0.044 0.000 1.367 480 G CA 0.274 45.393 45.100 0.032 0.000 0.879 480 G HN 0.876 nan 8.290 nan 0.000 0.563 481 I N -0.200 120.386 120.570 0.027 0.000 2.335 481 I HA -0.124 4.046 4.170 0.002 0.000 0.251 481 I C 2.780 178.926 176.117 0.049 0.000 1.129 481 I CA 2.939 64.255 61.300 0.026 0.000 1.402 481 I CB -0.172 37.831 38.000 0.005 0.000 1.069 481 I HN 0.681 nan 8.210 nan 0.000 0.424 482 T N 0.197 114.778 114.554 0.045 0.000 2.788 482 T HA -0.108 4.243 4.350 0.002 0.000 0.268 482 T C 1.619 176.362 174.700 0.072 0.000 1.044 482 T CA 1.380 63.511 62.100 0.051 0.000 1.139 482 T CB -0.702 68.186 68.868 0.033 0.000 0.867 482 T HN 0.625 nan 8.240 nan 0.000 0.454 483 G N 0.757 109.603 108.800 0.077 0.000 2.679 483 G HA2 0.055 4.016 3.960 0.002 0.000 0.212 483 G HA3 0.055 4.016 3.960 0.002 0.000 0.212 483 G C 0.657 175.685 174.900 0.213 0.000 1.137 483 G CA -0.010 45.152 45.100 0.103 0.000 0.787 483 G HN 0.457 nan 8.290 nan 0.000 0.534 484 L N 2.439 123.779 121.223 0.194 0.000 2.480 484 L HA 0.176 4.517 4.340 0.002 0.000 0.243 484 L C 0.312 177.345 176.870 0.272 0.000 1.315 484 L CA -0.750 54.222 54.840 0.220 0.000 1.231 484 L CB -0.862 41.250 42.059 0.088 0.000 1.444 484 L HN 0.289 nan 8.230 nan 0.000 0.409 485 N N -0.247 118.594 118.700 0.235 0.000 2.399 485 N HA 0.246 4.987 4.740 0.002 0.000 0.250 485 N C 1.229 176.722 175.510 -0.028 0.000 1.272 485 N CA 0.162 53.267 53.050 0.091 0.000 0.928 485 N CB 0.904 39.401 38.487 0.016 0.000 1.158 485 N HN 0.180 nan 8.380 nan 0.000 0.463 486 A N 0.594 123.074 122.820 -0.566 0.000 1.884 486 A HA -0.288 4.033 4.320 0.002 0.000 0.219 486 A C 1.598 179.090 177.584 -0.154 0.000 1.197 486 A CA 2.107 53.765 52.037 -0.632 0.000 0.637 486 A CB -1.059 17.415 19.000 -0.876 0.000 0.827 486 A HN 0.832 nan 8.150 nan 0.000 0.450 487 D N -1.476 118.870 120.400 -0.089 0.000 2.123 487 D HA -0.134 4.507 4.640 0.002 0.000 0.196 487 D C 1.599 177.970 176.300 0.117 0.000 0.992 487 D CA 1.359 55.365 54.000 0.010 0.000 0.833 487 D CB -0.386 40.421 40.800 0.011 0.000 0.954 487 D HN 0.439 nan 8.370 nan 0.000 0.455 488 F N 0.908 120.827 119.950 -0.052 0.000 2.187 488 F HA -0.016 4.512 4.527 0.002 0.000 0.295 488 F C 1.986 177.766 175.800 -0.033 0.000 1.091 488 F CA 0.351 58.327 58.000 -0.039 0.000 1.308 488 F CB -0.721 38.256 39.000 -0.039 0.000 1.030 488 F HN -0.108 nan 8.300 nan 0.000 0.487 489 L N 1.320 122.465 121.223 -0.131 0.000 2.042 489 L HA -0.176 4.165 4.340 0.002 0.000 0.210 489 L C 2.647 179.394 176.870 -0.204 0.000 1.076 489 L CA 2.192 56.893 54.840 -0.233 0.000 0.749 489 L CB -1.054 41.026 42.059 0.034 0.000 0.893 489 L HN 0.264 nan 8.230 nan 0.000 0.432 490 R N -0.771 119.673 120.500 -0.092 0.000 2.081 490 R HA -0.231 4.110 4.340 0.002 0.000 0.235 490 R C 2.361 178.598 176.300 -0.104 0.000 1.131 490 R CA 1.854 57.895 56.100 -0.098 0.000 0.960 490 R CB -0.469 29.825 30.300 -0.009 0.000 0.856 490 R HN 0.681 nan 8.270 nan 0.000 0.436 491 Q N 0.513 120.289 119.800 -0.041 0.000 2.124 491 Q HA -0.157 4.184 4.340 0.002 0.000 0.202 491 Q C 2.047 178.035 176.000 -0.020 0.000 0.977 491 Q CA 1.514 57.329 55.803 0.020 0.000 0.850 491 Q CB -0.052 28.774 28.738 0.148 0.000 0.901 491 Q HN 0.507 nan 8.270 nan 0.000 0.429 492 L N 0.441 121.559 121.223 -0.176 0.000 2.027 492 L HA -0.175 4.166 4.340 0.002 0.000 0.206 492 L C 2.585 179.474 176.870 0.032 0.000 1.074 492 L CA 0.940 55.719 54.840 -0.103 0.000 0.745 492 L CB -0.388 41.379 42.059 -0.486 0.000 0.898 492 L HN 0.088 nan 8.230 nan 0.000 0.433 493 K N 0.372 120.635 120.400 -0.228 0.000 2.063 493 K HA -0.161 4.160 4.320 0.002 0.000 0.208 493 K C 2.127 178.524 176.600 -0.339 0.000 1.048 493 K CA 1.326 57.334 56.287 -0.466 0.000 0.928 493 K CB -0.433 31.364 32.500 -1.170 0.000 0.713 493 K HN 0.252 nan 8.250 nan 0.000 0.442 494 R N 0.928 121.310 120.500 -0.197 0.000 2.159 494 R HA -0.050 4.291 4.340 0.002 0.000 0.237 494 R C 1.513 177.845 176.300 0.052 0.000 1.131 494 R CA 1.039 57.146 56.100 0.012 0.000 0.982 494 R CB 0.070 30.400 30.300 0.050 0.000 0.868 494 R HN 0.118 nan 8.270 nan 0.000 0.453 495 K N -0.682 119.745 120.400 0.045 0.000 2.410 495 K HA 0.127 4.448 4.320 0.002 0.000 0.200 495 K C 0.621 177.149 176.600 -0.119 0.000 1.023 495 K CA 0.622 56.914 56.287 0.009 0.000 1.149 495 K CB 1.202 33.746 32.500 0.073 0.000 0.859 495 K HN 0.345 nan 8.250 nan 0.000 0.514 496 G N 1.673 110.444 108.800 -0.049 0.000 2.159 496 G HA2 -0.271 3.690 3.960 0.002 0.000 0.256 496 G HA3 -0.271 3.690 3.960 0.002 0.000 0.256 496 G C -0.007 174.830 174.900 -0.104 0.000 0.977 496 G CA -0.338 44.725 45.100 -0.062 0.000 0.652 496 G HN 0.229 nan 8.290 nan 0.000 0.531 497 F N 1.626 121.565 119.950 -0.019 0.000 2.578 497 F HA 0.487 5.015 4.527 0.002 0.000 0.376 497 F C 1.194 176.978 175.800 -0.027 0.000 1.085 497 F CA 0.420 58.409 58.000 -0.018 0.000 1.260 497 F CB 0.687 39.652 39.000 -0.058 0.000 1.095 497 F HN 0.356 nan 8.300 nan 0.000 0.573 498 A N 2.896 125.824 122.820 0.180 0.000 2.322 498 A HA 0.204 4.525 4.320 0.002 0.000 0.269 498 A C 1.095 178.733 177.584 0.089 0.000 1.094 498 A CA -0.692 51.411 52.037 0.110 0.000 0.807 498 A CB 0.286 19.340 19.000 0.088 0.000 1.047 498 A HN 0.776 nan 8.150 nan 0.000 0.487 499 D N 1.506 121.937 120.400 0.053 0.000 2.149 499 D HA -0.153 4.488 4.640 0.002 0.000 0.198 499 D C 2.113 178.426 176.300 0.021 0.000 0.990 499 D CA 1.998 56.010 54.000 0.020 0.000 0.839 499 D CB -0.297 40.511 40.800 0.013 0.000 0.948 499 D HN 0.639 nan 8.370 nan 0.000 0.460 500 A N 0.588 123.430 122.820 0.037 0.000 1.930 500 A HA -0.164 4.157 4.320 0.002 0.000 0.217 500 A C 2.194 179.808 177.584 0.049 0.000 1.175 500 A CA 1.602 53.660 52.037 0.035 0.000 0.627 500 A CB -0.332 18.688 19.000 0.034 0.000 0.815 500 A HN 0.064 nan 8.150 nan 0.000 0.443 501 R N 0.055 120.605 120.500 0.084 0.000 2.066 501 R HA 0.046 4.387 4.340 0.002 0.000 0.232 501 R C 1.930 178.274 176.300 0.073 0.000 1.131 501 R CA 1.415 57.586 56.100 0.119 0.000 0.955 501 R CB -0.740 29.697 30.300 0.229 0.000 0.851 501 R HN 0.508 nan 8.270 nan 0.000 0.432 502 L N -0.096 121.149 121.223 0.036 0.000 1.989 502 L HA -0.175 4.166 4.340 0.002 0.000 0.211 502 L C 2.506 179.357 176.870 -0.031 0.000 1.071 502 L CA 1.603 56.414 54.840 -0.048 0.000 0.749 502 L CB -0.892 41.115 42.059 -0.086 0.000 0.890 502 L HN 0.348 nan 8.230 nan 0.000 0.431 503 A N 0.191 123.002 122.820 -0.015 0.000 1.927 503 A HA -0.284 4.037 4.320 0.002 0.000 0.220 503 A C 2.327 179.909 177.584 -0.002 0.000 1.185 503 A CA 2.230 54.260 52.037 -0.012 0.000 0.639 503 A CB -0.476 18.519 19.000 -0.007 0.000 0.820 503 A HN 0.376 nan 8.150 nan 0.000 0.451 504 K N -0.738 119.668 120.400 0.010 0.000 2.097 504 K HA 0.044 4.365 4.320 0.002 0.000 0.205 504 K C 1.869 178.476 176.600 0.013 0.000 1.050 504 K CA 1.195 57.490 56.287 0.015 0.000 0.938 504 K CB -0.311 32.206 32.500 0.028 0.000 0.718 504 K HN 0.481 nan 8.250 nan 0.000 0.442 505 L N 0.313 121.542 121.223 0.010 0.000 2.046 505 L HA -0.141 4.200 4.340 0.002 0.000 0.208 505 L C 2.292 179.162 176.870 -0.000 0.000 1.077 505 L CA 1.131 55.974 54.840 0.005 0.000 0.747 505 L CB -0.378 41.673 42.059 -0.013 0.000 0.896 505 L HN 0.163 nan 8.230 nan 0.000 0.432 506 A N -0.407 122.407 122.820 -0.009 0.000 2.238 506 A HA 0.238 4.559 4.320 0.002 0.000 0.208 506 A C 1.743 179.327 177.584 -0.001 0.000 1.177 506 A CA 0.657 52.691 52.037 -0.006 0.000 0.804 506 A CB -0.689 18.302 19.000 -0.016 0.000 0.823 506 A HN 0.522 nan 8.150 nan 0.000 0.482 507 G N -0.755 108.045 108.800 0.000 0.000 2.225 507 G HA2 -0.183 3.778 3.960 0.002 0.000 0.267 507 G HA3 -0.183 3.778 3.960 0.002 0.000 0.267 507 G C 0.448 175.347 174.900 -0.002 0.000 1.024 507 G CA 1.010 46.111 45.100 0.001 0.000 0.784 507 G HN 1.685 nan 8.290 nan 0.000 0.507 508 V N -4.285 115.625 119.914 -0.006 0.000 3.302 508 V HA 0.868 4.989 4.120 0.002 0.000 0.304 508 V C 0.741 176.829 176.094 -0.009 0.000 1.209 508 V CA -1.719 60.576 62.300 -0.009 0.000 1.032 508 V CB 1.119 32.933 31.823 -0.015 0.000 1.219 508 V HN 0.263 nan 8.190 nan 0.000 0.469 509 R N 0.036 120.528 120.500 -0.012 0.000 2.410 509 R HA 0.285 4.626 4.340 0.002 0.000 0.288 509 R C 1.371 177.663 176.300 -0.013 0.000 1.051 509 R CA 0.248 56.342 56.100 -0.011 0.000 1.021 509 R CB 1.150 31.443 30.300 -0.011 0.000 1.032 509 R HN 0.987 nan 8.270 nan 0.000 0.481 510 E N 2.695 122.890 120.200 -0.008 0.000 2.130 510 E HA -0.276 4.074 4.350 0.002 0.000 0.196 510 E C 1.382 177.974 176.600 -0.012 0.000 0.998 510 E CA 1.858 58.254 56.400 -0.007 0.000 0.806 510 E CB 0.019 29.719 29.700 0.001 0.000 0.738 510 E HN 0.732 nan 8.360 nan 0.000 0.459 511 A N 0.749 123.562 122.820 -0.012 0.000 1.972 511 A HA -0.216 4.105 4.320 0.002 0.000 0.219 511 A C 1.943 179.512 177.584 -0.025 0.000 1.169 511 A CA 1.590 53.619 52.037 -0.013 0.000 0.635 511 A CB -0.473 18.521 19.000 -0.010 0.000 0.810 511 A HN 0.411 nan 8.150 nan 0.000 0.446 512 E N -0.366 119.816 120.200 -0.030 0.000 2.072 512 E HA -0.148 4.203 4.350 0.002 0.000 0.191 512 E C 1.802 178.361 176.600 -0.068 0.000 0.985 512 E CA 1.085 57.458 56.400 -0.044 0.000 0.801 512 E CB -0.175 29.503 29.700 -0.037 0.000 0.750 512 E HN 0.542 nan 8.360 nan 0.000 0.452 513 I N 0.795 121.327 120.570 -0.062 0.000 2.252 513 I HA -0.210 3.961 4.170 0.002 0.000 0.245 513 I C 2.478 178.539 176.117 -0.094 0.000 1.102 513 I CA 1.188 62.437 61.300 -0.084 0.000 1.385 513 I CB -0.920 37.043 38.000 -0.062 0.000 1.064 513 I HN 0.080 nan 8.210 nan 0.000 0.414 514 R N 1.286 121.752 120.500 -0.057 0.000 2.081 514 R HA -0.188 4.153 4.340 0.002 0.000 0.235 514 R C 2.297 178.562 176.300 -0.059 0.000 1.131 514 R CA 1.550 57.626 56.100 -0.040 0.000 0.960 514 R CB -0.000 30.297 30.300 -0.005 0.000 0.856 514 R HN 0.227 nan 8.270 nan 0.000 0.436 515 K N 0.032 120.392 120.400 -0.067 0.000 2.026 515 K HA -0.154 4.167 4.320 0.002 0.000 0.208 515 K C 2.000 178.508 176.600 -0.154 0.000 1.048 515 K CA 1.286 57.528 56.287 -0.075 0.000 0.929 515 K CB -0.213 32.247 32.500 -0.066 0.000 0.713 515 K HN 0.079 nan 8.250 nan 0.000 0.439 516 L N 1.465 122.551 121.223 -0.229 0.000 2.127 516 L HA -0.190 4.151 4.340 0.002 0.000 0.211 516 L C 2.103 178.600 176.870 -0.622 0.000 1.089 516 L CA 1.626 56.190 54.840 -0.459 0.000 0.757 516 L CB -0.175 41.632 42.059 -0.421 0.000 0.899 516 L HN 0.080 nan 8.230 nan 0.000 0.434 517 R N -0.994 119.303 120.500 -0.338 0.000 2.090 517 R HA -0.131 4.210 4.340 0.002 0.000 0.228 517 R C 1.989 178.143 176.300 -0.243 0.000 1.110 517 R CA 1.343 57.284 56.100 -0.266 0.000 0.973 517 R CB -0.383 29.796 30.300 -0.201 0.000 0.869 517 R HN 0.482 nan 8.270 nan 0.000 0.440 518 D N 0.451 120.768 120.400 -0.139 0.000 2.117 518 D HA -0.186 4.455 4.640 0.002 0.000 0.198 518 D C 1.837 178.165 176.300 0.048 0.000 0.982 518 D CA 1.070 55.096 54.000 0.043 0.000 0.828 518 D CB 0.178 41.025 40.800 0.078 0.000 0.967 518 D HN 0.236 nan 8.370 nan 0.000 0.464 519 Q N -0.525 119.243 119.800 -0.055 0.000 2.045 519 Q HA -0.211 4.130 4.340 0.002 0.000 0.206 519 Q C 1.605 177.693 176.000 0.148 0.000 0.991 519 Q CA 1.414 57.211 55.803 -0.010 0.000 0.851 519 Q CB -0.094 28.559 28.738 -0.142 0.000 0.911 519 Q HN 0.341 nan 8.270 nan 0.000 0.418 520 Y N 0.368 120.670 120.300 0.004 0.000 2.578 520 Y HA 0.060 4.611 4.550 0.002 0.000 0.297 520 Y C 0.312 176.225 175.900 0.022 0.000 1.176 520 Y CA 0.685 58.788 58.100 0.006 0.000 1.315 520 Y CB -0.331 38.119 38.460 -0.017 0.000 1.031 520 Y HN 0.300 nan 8.280 nan 0.000 0.524 521 D N -0.458 120.052 120.400 0.182 0.000 2.800 521 D HA -0.201 4.440 4.640 0.002 0.000 0.232 521 D C -0.709 175.682 176.300 0.152 0.000 1.137 521 D CA 0.254 54.381 54.000 0.211 0.000 0.718 521 D CB -1.285 39.630 40.800 0.193 0.000 1.084 521 D HN 0.202 nan 8.370 nan 0.000 0.432 522 L N 2.160 123.351 121.223 -0.054 0.000 2.287 522 L HA 0.435 4.776 4.340 0.002 0.000 0.280 522 L C -0.953 175.788 176.870 -0.214 0.000 1.055 522 L CA -0.241 54.596 54.840 -0.006 0.000 0.863 522 L CB 0.531 42.642 42.059 0.086 0.000 1.245 522 L HN 0.106 nan 8.230 nan 0.000 0.432 523 H N 4.375 123.578 119.070 0.221 0.000 2.717 523 H HA 0.536 5.093 4.556 0.002 0.000 0.366 523 H C -2.545 172.624 175.328 -0.266 0.000 1.132 523 H CA -1.678 54.409 56.048 0.066 0.000 1.180 523 H CB 1.854 31.634 29.762 0.030 0.000 1.678 523 H HN 0.387 nan 8.280 nan 0.000 0.537 524 P HA 0.073 nan 4.420 nan 0.000 0.272 524 P C -0.053 176.934 177.300 -0.523 0.000 1.240 524 P CA -0.322 62.139 63.100 -1.064 0.000 0.791 524 P CB 1.052 32.135 31.700 -1.028 0.000 0.978 525 V N -1.783 117.823 119.914 -0.513 0.000 3.166 525 V HA 0.596 4.717 4.120 0.002 0.000 0.317 525 V C -1.061 174.714 176.094 -0.531 0.000 1.136 525 V CA -0.949 61.174 62.300 -0.296 0.000 1.035 525 V CB 1.120 32.861 31.823 -0.138 0.000 1.110 525 V HN 0.328 nan 8.190 nan 0.000 0.450 526 Y N 0.511 120.744 120.300 -0.110 0.000 2.341 526 Y HA 0.737 5.288 4.550 0.002 0.000 0.338 526 Y C 0.243 175.982 175.900 -0.268 0.000 0.965 526 Y CA -0.834 57.172 58.100 -0.156 0.000 1.108 526 Y CB 1.810 40.276 38.460 0.010 0.000 1.180 526 Y HN 0.491 nan 8.280 nan 0.000 0.458 527 K N 2.854 122.966 120.400 -0.482 0.000 2.139 527 K HA 0.589 4.910 4.320 0.002 0.000 0.243 527 K C -0.401 175.948 176.600 -0.418 0.000 0.983 527 K CA -0.904 55.071 56.287 -0.522 0.000 0.890 527 K CB 1.638 33.683 32.500 -0.760 0.000 1.090 527 K HN 0.691 nan 8.250 nan 0.000 0.445 528 R N 0.019 120.433 120.500 -0.143 0.000 2.778 528 R HA 0.458 4.799 4.340 0.002 0.000 0.277 528 R C -0.610 175.723 176.300 0.055 0.000 0.977 528 R CA -0.935 55.141 56.100 -0.040 0.000 0.950 528 R CB 1.738 32.033 30.300 -0.008 0.000 1.165 528 R HN 0.205 nan 8.270 nan 0.000 0.474 529 V N 2.535 122.401 119.914 -0.081 0.000 2.583 529 V HA 0.056 4.177 4.120 0.002 0.000 0.287 529 V C 0.115 176.217 176.094 0.014 0.000 1.051 529 V CA 0.486 62.708 62.300 -0.130 0.000 1.010 529 V CB 1.312 32.649 31.823 -0.810 0.000 0.988 529 V HN 0.995 nan 8.190 nan 0.000 0.478 530 D N 0.447 120.914 120.400 0.113 0.000 2.460 530 D HA 0.043 4.684 4.640 0.002 0.000 0.263 530 D C 0.917 177.322 176.300 0.176 0.000 1.209 530 D CA 0.806 54.874 54.000 0.113 0.000 0.818 530 D CB 0.182 41.047 40.800 0.109 0.000 1.239 530 D HN 0.774 nan 8.370 nan 0.000 0.530 531 T N -2.154 112.535 114.554 0.224 0.000 7.776 531 T HA -0.352 3.999 4.350 0.002 0.000 0.302 531 T C 1.192 176.107 174.700 0.358 0.000 2.093 531 T CA 1.364 63.662 62.100 0.329 0.000 3.360 531 T CB -2.924 66.260 68.868 0.527 0.000 1.793 531 T HN 0.880 nan 8.240 nan 0.000 1.076 532 C N 0.945 120.399 119.300 0.257 0.000 3.115 532 C HA 0.892 5.353 4.460 0.002 0.000 0.277 532 C C 1.681 176.726 174.990 0.093 0.000 1.460 532 C CA -0.318 58.840 59.018 0.233 0.000 1.789 532 C CB -0.518 27.404 27.740 0.303 0.000 2.674 532 C HN 2.251 nan 8.230 nan 0.000 0.582 533 A N 0.272 123.125 122.820 0.056 0.000 2.791 533 A HA 0.260 4.581 4.320 0.002 0.000 0.292 533 A C 1.546 179.128 177.584 -0.004 0.000 1.487 533 A CA 1.414 53.455 52.037 0.006 0.000 0.760 533 A CB -1.888 17.095 19.000 -0.029 0.000 1.031 533 A HN 2.770 nan 8.150 nan 0.000 0.503 534 A N -2.113 120.717 122.820 0.017 0.000 3.413 534 A HA -0.350 3.971 4.320 0.002 0.000 0.268 534 A C 1.259 178.769 177.584 -0.123 0.000 1.128 534 A CA 2.394 54.419 52.037 -0.019 0.000 1.062 534 A CB -2.281 16.716 19.000 -0.005 0.000 1.121 534 A HN 1.846 nan 8.150 nan 0.000 0.895 535 E N -1.661 118.403 120.200 -0.225 0.000 2.160 535 E HA -0.015 4.336 4.350 0.002 0.000 0.195 535 E C 0.023 176.082 176.600 -0.903 0.000 0.991 535 E CA 1.175 57.219 56.400 -0.593 0.000 0.810 535 E CB -0.010 29.226 29.700 -0.774 0.000 0.742 535 E HN 0.754 nan 8.360 nan 0.000 0.466 536 F N -0.672 119.262 119.950 -0.027 0.000 2.563 536 F HA 0.518 5.046 4.527 0.002 0.000 0.316 536 F C 0.295 176.077 175.800 -0.029 0.000 1.076 536 F CA -0.992 56.984 58.000 -0.041 0.000 0.921 536 F CB 1.266 40.219 39.000 -0.079 0.000 1.209 536 F HN -0.163 nan 8.300 nan 0.000 0.462 537 A N 0.916 123.831 122.820 0.159 0.000 2.429 537 A HA 0.520 4.841 4.320 0.002 0.000 0.242 537 A C 0.076 177.701 177.584 0.068 0.000 1.088 537 A CA 0.173 52.258 52.037 0.081 0.000 0.784 537 A CB 0.252 19.286 19.000 0.057 0.000 1.038 537 A HN 0.755 nan 8.150 nan 0.000 0.501 538 T N -1.153 113.423 114.554 0.036 0.000 2.909 538 T HA 0.454 4.805 4.350 0.002 0.000 0.299 538 T C -0.518 174.183 174.700 0.002 0.000 1.073 538 T CA -0.570 61.539 62.100 0.016 0.000 0.999 538 T CB 1.270 70.147 68.868 0.016 0.000 1.098 538 T HN 0.539 nan 8.240 nan 0.000 0.477 539 D N 2.004 122.396 120.400 -0.012 0.000 2.398 539 D HA 0.174 4.815 4.640 0.002 0.000 0.210 539 D C 0.183 176.476 176.300 -0.012 0.000 1.094 539 D CA 0.262 54.256 54.000 -0.010 0.000 0.839 539 D CB 0.801 41.596 40.800 -0.008 0.000 0.963 539 D HN 0.497 nan 8.370 nan 0.000 0.506 540 T N 0.542 115.080 114.554 -0.027 0.000 2.909 540 T HA 0.497 4.848 4.350 0.002 0.000 0.286 540 T C 0.311 175.018 174.700 0.012 0.000 1.002 540 T CA -0.500 61.586 62.100 -0.024 0.000 1.074 540 T CB 2.135 70.933 68.868 -0.118 0.000 0.984 540 T HN -0.070 nan 8.240 nan 0.000 0.495 541 A N 3.130 125.966 122.820 0.026 0.000 3.079 541 A HA 0.390 4.711 4.320 0.002 0.000 0.315 541 A C -0.773 176.842 177.584 0.051 0.000 1.334 541 A CA -0.465 51.571 52.037 -0.002 0.000 1.048 541 A CB -0.395 18.574 19.000 -0.052 0.000 1.156 541 A HN 0.718 nan 8.150 nan 0.000 0.523 542 Y N 2.961 123.230 120.300 -0.051 0.000 2.478 542 Y HA 0.683 5.234 4.550 0.002 0.000 0.329 542 Y C -0.568 175.336 175.900 0.007 0.000 0.967 542 Y CA -1.817 56.292 58.100 0.016 0.000 1.255 542 Y CB 0.467 38.974 38.460 0.078 0.000 1.103 542 Y HN 0.578 nan 8.280 nan 0.000 0.497 543 M N 6.548 126.280 119.600 0.220 0.000 2.716 543 M HA 0.555 5.036 4.480 0.002 0.000 0.307 543 M C -1.497 174.999 176.300 0.327 0.000 1.223 543 M CA -1.160 54.198 55.300 0.096 0.000 0.871 543 M CB 2.795 35.327 32.600 -0.113 0.000 1.739 543 M HN 0.459 nan 8.290 nan 0.000 0.475 544 Y N -1.584 118.834 120.300 0.196 0.000 2.553 544 Y HA 0.836 5.387 4.550 0.002 0.000 0.347 544 Y C -0.728 175.244 175.900 0.119 0.000 1.019 544 Y CA -1.378 56.833 58.100 0.184 0.000 1.032 544 Y CB 0.949 39.381 38.460 -0.046 0.000 1.284 544 Y HN 0.745 nan 8.280 nan 0.000 0.466 545 S N 1.348 117.110 115.700 0.105 0.000 2.585 545 S HA 0.800 5.271 4.470 0.002 0.000 0.277 545 S C -0.384 174.143 174.600 -0.122 0.000 1.241 545 S CA -0.135 57.858 58.200 -0.345 0.000 1.041 545 S CB 1.690 64.704 63.200 -0.309 0.000 0.987 545 S HN 1.087 nan 8.310 nan 0.000 0.512 546 T N 0.723 115.102 114.554 -0.293 0.000 2.827 546 T HA 0.406 4.757 4.350 0.002 0.000 0.328 546 T C -2.229 172.323 174.700 -0.247 0.000 1.598 546 T CA -0.579 61.471 62.100 -0.083 0.000 1.043 546 T CB 0.637 69.545 68.868 0.067 0.000 1.447 546 T HN 0.567 nan 8.240 nan 0.000 0.491 547 Y N 2.309 122.602 120.300 -0.011 0.000 2.676 547 Y HA 0.610 5.161 4.550 0.002 0.000 0.338 547 Y C 0.728 176.635 175.900 0.012 0.000 1.057 547 Y CA -0.256 57.842 58.100 -0.004 0.000 1.314 547 Y CB 0.736 39.204 38.460 0.013 0.000 1.164 547 Y HN 0.608 nan 8.280 nan 0.000 0.509 548 E N 0.037 120.263 120.200 0.044 0.000 2.415 548 E HA 0.306 4.657 4.350 0.002 0.000 0.255 548 E C 0.366 176.984 176.600 0.030 0.000 0.936 548 E CA -0.528 55.903 56.400 0.051 0.000 0.876 548 E CB 1.173 30.897 29.700 0.039 0.000 1.696 548 E HN 0.256 nan 8.360 nan 0.000 0.435 549 E N 0.720 120.938 120.200 0.029 0.000 2.021 549 E HA -0.009 4.342 4.350 0.002 0.000 0.191 549 E C -0.110 176.499 176.600 0.015 0.000 0.971 549 E CA 0.771 57.187 56.400 0.027 0.000 0.825 549 E CB -0.173 29.545 29.700 0.029 0.000 0.788 549 E HN 0.368 nan 8.360 nan 0.000 0.460 550 E N 0.313 120.519 120.200 0.009 0.000 2.338 550 E HA 0.080 4.431 4.350 0.002 0.000 0.272 550 E C -0.992 175.605 176.600 -0.005 0.000 1.029 550 E CA -0.171 56.232 56.400 0.006 0.000 0.872 550 E CB 0.873 30.577 29.700 0.006 0.000 1.015 550 E HN 0.075 nan 8.360 nan 0.000 0.417 551 C N 4.593 123.900 119.300 0.012 0.000 2.329 551 C HA 0.310 4.771 4.460 0.002 0.000 0.329 551 C C 0.471 175.483 174.990 0.036 0.000 1.275 551 C CA -0.357 58.680 59.018 0.033 0.000 1.726 551 C CB 0.018 27.800 27.740 0.071 0.000 2.291 551 C HN 0.872 nan 8.230 nan 0.000 0.514 552 E N 3.306 123.530 120.200 0.039 0.000 2.501 552 E HA 0.133 4.484 4.350 0.002 0.000 0.200 552 E C 1.517 178.135 176.600 0.030 0.000 1.016 552 E CA 0.231 56.644 56.400 0.022 0.000 0.921 552 E CB 0.453 30.148 29.700 -0.007 0.000 1.034 552 E HN 0.799 nan 8.360 nan 0.000 0.468 553 A N 2.230 125.093 122.820 0.071 0.000 1.877 553 A HA -0.219 4.102 4.320 0.002 0.000 0.216 553 A C 0.992 178.581 177.584 0.008 0.000 1.186 553 A CA 0.850 52.906 52.037 0.033 0.000 0.620 553 A CB -0.403 18.622 19.000 0.041 0.000 0.822 553 A HN 0.290 nan 8.150 nan 0.000 0.443 554 N N -0.542 118.170 118.700 0.020 0.000 2.702 554 N HA -0.119 4.622 4.740 0.002 0.000 0.255 554 N C -2.392 173.122 175.510 0.007 0.000 0.983 554 N CA 1.237 54.294 53.050 0.012 0.000 0.768 554 N CB -1.780 36.712 38.487 0.008 0.000 0.918 554 N HN 0.443 nan 8.380 nan 0.000 0.540 555 P HA 0.023 nan 4.420 nan 0.000 0.267 555 P C 0.217 177.523 177.300 0.009 0.000 1.201 555 P CA 0.070 63.177 63.100 0.012 0.000 0.775 555 P CB 0.467 32.173 31.700 0.010 0.000 0.854 556 S N -0.705 115.002 115.700 0.011 0.000 2.562 556 S HA 0.298 4.769 4.470 0.002 0.000 0.275 556 S C 1.128 175.733 174.600 0.008 0.000 1.281 556 S CA 0.112 58.317 58.200 0.010 0.000 1.045 556 S CB 0.747 63.954 63.200 0.011 0.000 0.962 556 S HN 0.635 nan 8.310 nan 0.000 0.503 557 T N -1.287 113.271 114.554 0.006 0.000 3.037 557 T HA 0.058 4.409 4.350 0.002 0.000 0.252 557 T C 0.995 175.697 174.700 0.004 0.000 1.073 557 T CA 0.458 62.560 62.100 0.004 0.000 1.091 557 T CB -0.397 68.472 68.868 0.002 0.000 0.935 557 T HN 0.500 nan 8.240 nan 0.000 0.488 558 D N 1.771 122.173 120.400 0.003 0.000 2.103 558 D HA 0.000 4.641 4.640 0.002 0.000 0.190 558 D C 1.357 177.656 176.300 -0.001 0.000 0.997 558 D CA 1.175 55.175 54.000 0.000 0.000 0.833 558 D CB 0.096 40.896 40.800 -0.000 0.000 0.961 558 D HN 0.469 nan 8.370 nan 0.000 0.447 559 R N -0.063 120.440 120.500 0.006 0.000 2.810 559 R HA 0.426 4.767 4.340 0.002 0.000 0.245 559 R C -0.180 176.137 176.300 0.028 0.000 1.168 559 R CA -0.637 55.467 56.100 0.006 0.000 1.096 559 R CB 0.868 31.174 30.300 0.011 0.000 1.259 559 R HN -0.013 nan 8.270 nan 0.000 0.518 560 E N 1.814 122.040 120.200 0.043 0.000 2.089 560 E HA 0.109 4.460 4.350 0.002 0.000 0.284 560 E C -0.863 175.861 176.600 0.207 0.000 1.023 560 E CA -0.151 56.318 56.400 0.114 0.000 0.819 560 E CB 1.052 30.835 29.700 0.138 0.000 1.076 560 E HN 0.147 nan 8.360 nan 0.000 0.396 561 K N 3.287 123.768 120.400 0.134 0.000 2.110 561 K HA 0.514 4.835 4.320 0.002 0.000 0.263 561 K C -0.145 176.488 176.600 0.055 0.000 0.975 561 K CA -0.537 55.815 56.287 0.109 0.000 0.895 561 K CB 1.598 34.132 32.500 0.058 0.000 1.060 561 K HN 0.347 nan 8.250 nan 0.000 0.448 562 I N 3.209 123.785 120.570 0.010 0.000 2.447 562 I HA 0.274 4.445 4.170 0.002 0.000 0.287 562 I C -0.622 175.460 176.117 -0.059 0.000 1.023 562 I CA -0.667 60.577 61.300 -0.094 0.000 1.083 562 I CB 1.685 39.526 38.000 -0.264 0.000 1.245 562 I HN 0.530 nan 8.210 nan 0.000 0.434 563 M N 5.816 125.377 119.600 -0.064 0.000 2.264 563 M HA 0.470 4.951 4.480 0.002 0.000 0.352 563 M C -0.797 175.462 176.300 -0.067 0.000 1.173 563 M CA -0.669 54.604 55.300 -0.045 0.000 1.075 563 M CB 2.183 34.755 32.600 -0.047 0.000 1.621 563 M HN 0.238 nan 8.290 nan 0.000 0.457 564 V N 5.266 125.155 119.914 -0.042 0.000 2.409 564 V HA 0.438 4.559 4.120 0.002 0.000 0.291 564 V C -0.399 175.683 176.094 -0.019 0.000 1.020 564 V CA -0.754 61.521 62.300 -0.042 0.000 0.848 564 V CB 1.527 33.343 31.823 -0.013 0.000 0.990 564 V HN 0.699 nan 8.190 nan 0.000 0.430 565 L N 4.644 125.853 121.223 -0.024 0.000 2.264 565 L HA 0.614 4.955 4.340 0.002 0.000 0.289 565 L C 1.090 177.959 176.870 -0.002 0.000 1.044 565 L CA -0.188 54.641 54.840 -0.019 0.000 0.807 565 L CB 1.169 43.209 42.059 -0.031 0.000 1.192 565 L HN 0.784 nan 8.230 nan 0.000 0.425 566 G N 1.565 110.356 108.800 -0.016 0.000 2.651 566 G HA2 0.331 4.292 3.960 0.002 0.000 0.260 566 G HA3 0.331 4.292 3.960 0.002 0.000 0.260 566 G C 0.814 175.697 174.900 -0.029 0.000 1.216 566 G CA 0.020 45.111 45.100 -0.016 0.000 0.913 566 G HN 0.793 nan 8.290 nan 0.000 0.535 567 G N -1.489 107.296 108.800 -0.025 0.000 3.233 567 G HA2 0.517 4.478 3.960 0.002 0.000 0.234 567 G HA3 0.517 4.478 3.960 0.002 0.000 0.234 567 G C 1.006 175.874 174.900 -0.054 0.000 1.137 567 G CA 0.812 45.880 45.100 -0.052 0.000 0.763 567 G HN 1.826 nan 8.290 nan 0.000 0.549 568 G N 0.685 109.449 108.800 -0.059 0.000 2.525 568 G HA2 -0.182 3.779 3.960 0.002 0.000 0.248 568 G HA3 -0.182 3.779 3.960 0.002 0.000 0.248 568 G C -2.507 172.364 174.900 -0.049 0.000 1.238 568 G CA -0.287 44.776 45.100 -0.061 0.000 0.926 568 G HN 0.358 nan 8.290 nan 0.000 0.574 569 P HA 0.252 nan 4.420 nan 0.000 0.272 569 P C -0.135 177.151 177.300 -0.023 0.000 1.223 569 P CA -0.123 62.959 63.100 -0.031 0.000 0.784 569 P CB 0.184 31.869 31.700 -0.026 0.000 0.923 570 N N 1.672 120.358 118.700 -0.023 0.000 2.503 570 N HA 0.437 5.178 4.740 0.002 0.000 0.267 570 N C -0.013 175.488 175.510 -0.015 0.000 1.214 570 N CA -0.199 52.849 53.050 -0.004 0.000 0.959 570 N CB 0.455 38.942 38.487 -0.000 0.000 1.142 570 N HN 0.316 nan 8.380 nan 0.000 0.455 571 R N 0.337 120.840 120.500 0.004 0.000 2.734 571 R HA 0.427 4.768 4.340 0.002 0.000 0.271 571 R C -0.935 175.375 176.300 0.016 0.000 1.021 571 R CA -0.773 55.328 56.100 0.001 0.000 0.893 571 R CB 1.052 31.349 30.300 -0.006 0.000 1.244 571 R HN 0.421 nan 8.270 nan 0.000 0.464 572 I N 2.244 122.823 120.570 0.015 0.000 2.742 572 I HA 0.046 4.217 4.170 0.002 0.000 0.287 572 I C 1.132 177.245 176.117 -0.006 0.000 1.186 572 I CA 1.803 63.108 61.300 0.008 0.000 1.417 572 I CB 0.228 38.239 38.000 0.019 0.000 1.377 572 I HN 1.012 nan 8.210 nan 0.000 0.556 573 G N 5.039 113.851 108.800 0.019 0.000 2.217 573 G HA2 -0.210 3.751 3.960 0.002 0.000 0.246 573 G HA3 -0.210 3.751 3.960 0.002 0.000 0.246 573 G C 0.299 175.311 174.900 0.187 0.000 0.990 573 G CA -0.366 44.768 45.100 0.055 0.000 0.627 573 G HN 0.560 nan 8.290 nan 0.000 0.522 574 Q N 0.744 120.642 119.800 0.163 0.000 3.048 574 Q HA 0.500 4.841 4.340 0.002 0.000 0.337 574 Q C 0.708 176.864 176.000 0.260 0.000 0.845 574 Q CA 0.321 56.258 55.803 0.223 0.000 0.942 574 Q CB 0.822 29.554 28.738 -0.009 0.000 1.454 574 Q HN 0.569 nan 8.270 nan 0.000 0.392 575 G N 0.128 109.099 108.800 0.285 0.000 2.574 575 G HA2 0.318 4.279 3.960 0.002 0.000 0.248 575 G HA3 0.318 4.279 3.960 0.002 0.000 0.248 575 G C 0.817 175.786 174.900 0.116 0.000 1.422 575 G CA -0.595 44.583 45.100 0.129 0.000 1.051 575 G HN 0.431 nan 8.290 nan 0.000 0.560 576 I N -0.198 120.385 120.570 0.022 0.000 2.502 576 I HA -0.176 3.995 4.170 0.002 0.000 0.258 576 I C 2.458 178.553 176.117 -0.036 0.000 1.172 576 I CA 1.362 62.668 61.300 0.011 0.000 1.430 576 I CB 0.013 38.012 38.000 -0.002 0.000 1.086 576 I HN 0.541 nan 8.210 nan 0.000 0.440 577 E N 0.330 120.409 120.200 -0.202 0.000 2.153 577 E HA -0.216 4.135 4.350 0.002 0.000 0.194 577 E C 1.757 178.125 176.600 -0.386 0.000 0.988 577 E CA 1.511 57.675 56.400 -0.393 0.000 0.811 577 E CB -0.249 29.073 29.700 -0.630 0.000 0.746 577 E HN 0.501 nan 8.360 nan 0.000 0.466 578 F N 0.264 120.215 119.950 0.002 0.000 2.270 578 F HA 0.014 4.542 4.527 0.002 0.000 0.295 578 F C 2.026 177.838 175.800 0.020 0.000 1.087 578 F CA 0.943 58.945 58.000 0.003 0.000 1.365 578 F CB -0.469 38.533 39.000 0.003 0.000 1.056 578 F HN -0.037 nan 8.300 nan 0.000 0.506 579 D N -0.845 119.665 120.400 0.184 0.000 2.144 579 D HA -0.276 4.365 4.640 0.002 0.000 0.199 579 D C 2.132 178.473 176.300 0.067 0.000 0.984 579 D CA 1.066 55.131 54.000 0.109 0.000 0.834 579 D CB -0.269 40.574 40.800 0.072 0.000 0.955 579 D HN 0.309 nan 8.370 nan 0.000 0.465 580 Y N 0.327 120.567 120.300 -0.100 0.000 2.165 580 Y HA -0.274 4.277 4.550 0.002 0.000 0.286 580 Y C 2.231 177.958 175.900 -0.288 0.000 1.155 580 Y CA 1.582 59.553 58.100 -0.214 0.000 1.164 580 Y CB -0.495 37.815 38.460 -0.251 0.000 0.978 580 Y HN 0.131 nan 8.280 nan 0.000 0.513 581 C N -0.760 118.505 119.300 -0.059 0.000 2.429 581 C HA -0.215 4.246 4.460 0.002 0.000 0.277 581 C C 2.980 177.984 174.990 0.024 0.000 1.262 581 C CA 1.023 59.919 59.018 -0.203 0.000 1.733 581 C CB -1.673 25.839 27.740 -0.381 0.000 2.010 581 C HN 0.796 nan 8.230 nan 0.000 0.483 582 C N 0.232 119.610 119.300 0.130 0.000 2.393 582 C HA -0.122 4.339 4.460 0.002 0.000 0.276 582 C C 2.733 177.796 174.990 0.122 0.000 1.215 582 C CA 1.261 60.399 59.018 0.200 0.000 1.743 582 C CB -1.410 26.409 27.740 0.132 0.000 2.044 582 C HN 0.535 nan 8.230 nan 0.000 0.464 583 V N -0.180 119.749 119.914 0.024 0.000 2.332 583 V HA -0.283 3.838 4.120 0.002 0.000 0.248 583 V C 2.249 178.400 176.094 0.096 0.000 1.055 583 V CA 2.199 64.506 62.300 0.012 0.000 1.038 583 V CB -0.938 30.843 31.823 -0.071 0.000 0.651 583 V HN 0.680 nan 8.190 nan 0.000 0.450 584 H N -0.635 118.360 119.070 -0.125 0.000 2.389 584 H HA -0.087 4.470 4.556 0.002 0.000 0.299 584 H C 2.351 177.696 175.328 0.029 0.000 1.081 584 H CA 0.951 56.940 56.048 -0.100 0.000 1.345 584 H CB 0.051 29.712 29.762 -0.168 0.000 1.393 584 H HN 0.484 nan 8.280 nan 0.000 0.520 585 A N 0.311 123.297 122.820 0.276 0.000 1.883 585 A HA -0.238 4.083 4.320 0.002 0.000 0.217 585 A C 2.531 180.160 177.584 0.076 0.000 1.186 585 A CA 1.972 54.133 52.037 0.207 0.000 0.624 585 A CB -0.871 18.252 19.000 0.206 0.000 0.822 585 A HN 0.368 nan 8.150 nan 0.000 0.444 586 S N -0.625 115.118 115.700 0.071 0.000 2.368 586 S HA -0.090 4.381 4.470 0.002 0.000 0.225 586 S C 1.950 176.574 174.600 0.039 0.000 1.030 586 S CA 1.429 59.654 58.200 0.042 0.000 0.999 586 S CB -0.504 62.719 63.200 0.039 0.000 0.844 586 S HN 0.478 nan 8.310 nan 0.000 0.459 587 L N 0.913 122.156 121.223 0.034 0.000 2.017 587 L HA -0.070 4.271 4.340 0.002 0.000 0.208 587 L C 2.969 179.839 176.870 0.000 0.000 1.073 587 L CA 1.342 56.186 54.840 0.006 0.000 0.745 587 L CB -0.823 41.218 42.059 -0.031 0.000 0.894 587 L HN 0.398 nan 8.230 nan 0.000 0.432 588 A N 0.224 123.042 122.820 -0.003 0.000 1.873 588 A HA -0.128 4.193 4.320 0.002 0.000 0.215 588 A C 2.237 179.855 177.584 0.057 0.000 1.186 588 A CA 1.307 53.349 52.037 0.008 0.000 0.616 588 A CB -0.675 18.328 19.000 0.005 0.000 0.823 588 A HN 0.345 nan 8.150 nan 0.000 0.442 589 L N -1.019 120.245 121.223 0.069 0.000 2.141 589 L HA -0.124 4.217 4.340 0.002 0.000 0.209 589 L C 2.777 179.792 176.870 0.242 0.000 1.094 589 L CA 1.594 56.526 54.840 0.154 0.000 0.763 589 L CB -0.494 41.553 42.059 -0.020 0.000 0.908 589 L HN 0.521 nan 8.230 nan 0.000 0.437 590 R N 0.819 121.397 120.500 0.130 0.000 2.092 590 R HA -0.217 4.124 4.340 0.002 0.000 0.231 590 R C 2.129 178.473 176.300 0.073 0.000 1.119 590 R CA 1.650 57.813 56.100 0.105 0.000 0.970 590 R CB -0.020 30.320 30.300 0.067 0.000 0.864 590 R HN 0.270 nan 8.270 nan 0.000 0.440 591 E N 0.442 120.678 120.200 0.059 0.000 2.150 591 E HA -0.163 4.188 4.350 0.002 0.000 0.193 591 E C 1.018 177.640 176.600 0.035 0.000 0.985 591 E CA 1.593 58.014 56.400 0.034 0.000 0.814 591 E CB -0.035 29.677 29.700 0.019 0.000 0.752 591 E HN 0.310 nan 8.360 nan 0.000 0.466 592 D N -1.332 119.113 120.400 0.075 0.000 2.312 592 D HA 0.053 4.694 4.640 0.002 0.000 0.211 592 D C 1.094 177.372 176.300 -0.035 0.000 0.964 592 D CA 1.275 55.317 54.000 0.070 0.000 0.877 592 D CB 0.445 41.370 40.800 0.208 0.000 0.924 592 D HN 0.388 nan 8.370 nan 0.000 0.515 593 G N -1.579 107.202 108.800 -0.031 0.000 2.229 593 G HA2 -0.230 3.731 3.960 0.002 0.000 0.189 593 G HA3 -0.230 3.731 3.960 0.002 0.000 0.189 593 G C 0.019 174.817 174.900 -0.170 0.000 1.000 593 G CA -0.420 44.602 45.100 -0.130 0.000 0.663 593 G HN 0.251 nan 8.290 nan 0.000 0.493 594 Y N 1.027 121.326 120.300 -0.002 0.000 2.299 594 Y HA 0.529 5.080 4.550 0.002 0.000 0.335 594 Y C 0.977 176.878 175.900 0.001 0.000 1.287 594 Y CA -0.046 58.053 58.100 -0.002 0.000 1.424 594 Y CB 0.638 39.095 38.460 -0.005 0.000 1.326 594 Y HN 0.126 nan 8.280 nan 0.000 0.567 595 E N 1.433 121.749 120.200 0.194 0.000 2.081 595 E HA 0.153 4.504 4.350 0.002 0.000 0.281 595 E C -0.953 175.714 176.600 0.112 0.000 0.986 595 E CA -0.573 55.894 56.400 0.112 0.000 0.796 595 E CB 0.504 30.248 29.700 0.075 0.000 1.085 595 E HN 0.670 nan 8.360 nan 0.000 0.398 596 T N 2.653 117.260 114.554 0.088 0.000 2.771 596 T HA 0.466 4.817 4.350 0.002 0.000 0.291 596 T C 0.200 174.931 174.700 0.052 0.000 0.954 596 T CA -0.654 61.481 62.100 0.057 0.000 1.045 596 T CB 0.371 69.268 68.868 0.049 0.000 0.917 596 T HN 0.320 nan 8.240 nan 0.000 0.484 597 I N 3.824 124.423 120.570 0.049 0.000 2.382 597 I HA 0.377 4.548 4.170 0.002 0.000 0.286 597 I C -0.261 175.896 176.117 0.067 0.000 1.002 597 I CA -0.998 60.350 61.300 0.080 0.000 1.135 597 I CB 1.813 39.878 38.000 0.109 0.000 1.288 597 I HN 0.539 nan 8.210 nan 0.000 0.448 598 M N 7.721 127.366 119.600 0.074 0.000 2.238 598 M HA 0.429 4.910 4.480 0.002 0.000 0.350 598 M C -1.156 175.189 176.300 0.076 0.000 1.138 598 M CA -0.392 54.937 55.300 0.048 0.000 1.040 598 M CB 1.377 33.987 32.600 0.017 0.000 1.639 598 M HN 0.285 nan 8.290 nan 0.000 0.451 599 V N 5.917 125.853 119.914 0.037 0.000 2.326 599 V HA 0.638 4.759 4.120 0.002 0.000 0.281 599 V C -0.527 175.538 176.094 -0.047 0.000 1.015 599 V CA -0.537 61.783 62.300 0.032 0.000 0.823 599 V CB 0.756 32.588 31.823 0.015 0.000 1.009 599 V HN 0.937 nan 8.190 nan 0.000 0.436 600 N N 2.637 121.257 118.700 -0.132 0.000 2.961 600 N HA 0.496 5.237 4.740 0.002 0.000 0.245 600 N C -0.331 174.814 175.510 -0.608 0.000 1.404 600 N CA -0.302 52.592 53.050 -0.260 0.000 0.880 600 N CB 1.983 40.346 38.487 -0.208 0.000 1.461 600 N HN 0.599 nan 8.380 nan 0.000 0.510 601 C N -0.334 118.618 119.300 -0.579 0.000 3.359 601 C HA 0.528 4.989 4.460 0.002 0.000 0.258 601 C C -0.001 174.773 174.990 -0.360 0.000 1.840 601 C CA -0.985 57.575 59.018 -0.762 0.000 1.746 601 C CB -1.568 26.054 27.740 -0.197 0.000 3.306 601 C HN 0.577 nan 8.230 nan 0.000 0.485 602 N N 3.064 121.577 118.700 -0.311 0.000 2.420 602 N HA 0.344 5.085 4.740 0.002 0.000 0.249 602 N C -1.244 174.261 175.510 -0.008 0.000 1.033 602 N CA -2.099 50.893 53.050 -0.096 0.000 0.944 602 N CB 1.798 40.232 38.487 -0.088 0.000 1.113 602 N HN 0.240 nan 8.380 nan 0.000 0.502 603 P HA -0.028 nan 4.420 nan 0.000 0.229 603 P C 0.233 177.474 177.300 -0.097 0.000 1.160 603 P CA 1.027 64.213 63.100 0.143 0.000 0.777 603 P CB 0.488 32.265 31.700 0.127 0.000 0.814 604 E N -0.124 120.016 120.200 -0.101 0.000 2.371 604 E HA -0.008 4.343 4.350 0.002 0.000 0.194 604 E C 0.967 177.474 176.600 -0.155 0.000 1.012 604 E CA 0.533 56.846 56.400 -0.144 0.000 0.860 604 E CB -0.141 29.499 29.700 -0.099 0.000 0.811 604 E HN 0.383 nan 8.360 nan 0.000 0.502 605 T N -2.660 111.804 114.554 -0.151 0.000 2.881 605 T HA 0.210 4.561 4.350 0.002 0.000 0.278 605 T C 1.273 175.921 174.700 -0.085 0.000 0.982 605 T CA -0.800 61.248 62.100 -0.087 0.000 0.989 605 T CB 1.760 70.595 68.868 -0.055 0.000 1.058 605 T HN -0.225 nan 8.240 nan 0.000 0.529 606 V N 1.546 121.484 119.914 0.039 0.000 2.719 606 V HA -0.093 4.028 4.120 0.002 0.000 0.252 606 V C 3.021 179.122 176.094 0.012 0.000 1.065 606 V CA 1.834 64.190 62.300 0.093 0.000 1.086 606 V CB -0.914 30.968 31.823 0.097 0.000 0.700 606 V HN 1.087 nan 8.190 nan 0.000 0.467 607 S N 1.009 116.698 115.700 -0.019 0.000 2.400 607 S HA -0.193 4.278 4.470 0.002 0.000 0.232 607 S C 1.746 176.304 174.600 -0.070 0.000 1.025 607 S CA 1.695 59.873 58.200 -0.036 0.000 0.993 607 S CB -0.841 62.338 63.200 -0.035 0.000 0.808 607 S HN 0.711 nan 8.310 nan 0.000 0.478 608 T N -0.837 113.656 114.554 -0.101 0.000 3.244 608 T HA 0.234 4.584 4.350 0.002 0.000 0.254 608 T C -0.154 174.475 174.700 -0.118 0.000 1.024 608 T CA -0.453 61.586 62.100 -0.102 0.000 0.920 608 T CB -0.268 68.555 68.868 -0.074 0.000 1.042 608 T HN 0.284 nan 8.240 nan 0.000 0.572 609 D N 1.233 121.561 120.400 -0.119 0.000 2.198 609 D HA 0.120 4.761 4.640 0.002 0.000 0.245 609 D C 1.014 177.179 176.300 -0.224 0.000 1.079 609 D CA -0.921 52.983 54.000 -0.160 0.000 0.854 609 D CB 1.029 41.816 40.800 -0.021 0.000 1.148 609 D HN 0.405 nan 8.370 nan 0.000 0.456 610 Y N 1.786 122.020 120.300 -0.110 0.000 2.403 610 Y HA -0.060 4.491 4.550 0.002 0.000 0.291 610 Y C 1.300 177.185 175.900 -0.025 0.000 1.143 610 Y CA 0.600 58.631 58.100 -0.116 0.000 1.257 610 Y CB -0.357 38.052 38.460 -0.086 0.000 0.984 610 Y HN 0.230 nan 8.280 nan 0.000 0.550 611 D N 0.299 120.598 120.400 -0.168 0.000 2.224 611 D HA -0.091 4.550 4.640 0.002 0.000 0.205 611 D C 1.803 178.101 176.300 -0.004 0.000 0.965 611 D CA 1.517 55.501 54.000 -0.028 0.000 0.852 611 D CB -0.203 40.534 40.800 -0.105 0.000 0.947 611 D HN 0.457 nan 8.370 nan 0.000 0.494 612 T N -0.051 114.487 114.554 -0.028 0.000 2.929 612 T HA -0.044 4.307 4.350 0.002 0.000 0.271 612 T C 1.105 175.815 174.700 0.016 0.000 1.085 612 T CA 0.828 62.926 62.100 -0.003 0.000 1.125 612 T CB 0.113 68.975 68.868 -0.010 0.000 0.874 612 T HN 0.211 nan 8.240 nan 0.000 0.494 613 S N -0.497 115.218 115.700 0.025 0.000 2.705 613 S HA 0.419 4.890 4.470 0.002 0.000 0.280 613 S C -0.104 174.523 174.600 0.046 0.000 1.174 613 S CA -0.953 57.267 58.200 0.035 0.000 0.823 613 S CB 1.453 64.671 63.200 0.029 0.000 1.162 613 S HN -0.103 nan 8.310 nan 0.000 0.487 614 D N 0.729 121.156 120.400 0.046 0.000 2.149 614 D HA 0.084 4.725 4.640 0.002 0.000 0.201 614 D C 0.187 176.506 176.300 0.032 0.000 0.972 614 D CA 1.168 55.195 54.000 0.044 0.000 0.835 614 D CB 0.094 40.921 40.800 0.045 0.000 0.966 614 D HN 0.421 nan 8.370 nan 0.000 0.476 615 R N -0.047 120.468 120.500 0.025 0.000 2.574 615 R HA 0.485 4.826 4.340 0.002 0.000 0.288 615 R C -1.306 174.983 176.300 -0.019 0.000 1.004 615 R CA -0.783 55.305 56.100 -0.019 0.000 0.895 615 R CB 2.299 32.576 30.300 -0.037 0.000 1.191 615 R HN -0.108 nan 8.270 nan 0.000 0.444 616 L N 3.060 124.246 121.223 -0.062 0.000 2.319 616 L HA 0.440 4.781 4.340 0.002 0.000 0.281 616 L C -1.610 175.249 176.870 -0.017 0.000 1.005 616 L CA -0.471 54.364 54.840 -0.009 0.000 0.828 616 L CB 0.846 42.886 42.059 -0.032 0.000 1.227 616 L HN 0.531 nan 8.230 nan 0.000 0.415 617 Y N 5.393 125.766 120.300 0.121 0.000 2.491 617 Y HA 0.303 4.853 4.550 0.002 0.000 0.334 617 Y C -0.382 175.635 175.900 0.195 0.000 0.969 617 Y CA -0.188 58.015 58.100 0.173 0.000 1.241 617 Y CB 0.871 39.379 38.460 0.079 0.000 1.105 617 Y HN 0.529 nan 8.280 nan 0.000 0.503 618 F N 4.823 124.966 119.950 0.322 0.000 2.619 618 F HA 0.259 4.787 4.527 0.002 0.000 0.350 618 F C -0.045 175.897 175.800 0.237 0.000 1.259 618 F CA -0.145 58.013 58.000 0.264 0.000 1.204 618 F CB -0.300 38.922 39.000 0.370 0.000 1.556 618 F HN 0.414 nan 8.300 nan 0.000 0.650 619 E N 4.165 124.490 120.200 0.208 0.000 2.416 619 E HA 0.393 4.744 4.350 0.002 0.000 0.273 619 E C -2.732 173.912 176.600 0.073 0.000 0.935 619 E CA -2.306 54.214 56.400 0.199 0.000 0.784 619 E CB 1.475 31.310 29.700 0.225 0.000 1.301 619 E HN 0.079 nan 8.360 nan 0.000 0.454 620 P HA 0.073 nan 4.420 nan 0.000 0.271 620 P C -0.114 177.198 177.300 0.020 0.000 1.216 620 P CA -0.219 62.904 63.100 0.039 0.000 0.776 620 P CB 0.436 32.165 31.700 0.049 0.000 0.881 621 V N 3.564 123.473 119.914 -0.008 0.000 2.153 621 V HA 0.189 4.310 4.120 0.002 0.000 0.250 621 V C 0.805 176.894 176.094 -0.010 0.000 1.334 621 V CA 0.248 62.538 62.300 -0.016 0.000 1.249 621 V CB -1.046 30.755 31.823 -0.036 0.000 1.371 621 V HN 0.711 nan 8.190 nan 0.000 0.498 622 T N 0.078 114.634 114.554 0.003 0.000 2.906 622 T HA 0.531 4.882 4.350 0.002 0.000 0.295 622 T C 0.590 175.294 174.700 0.007 0.000 1.075 622 T CA -0.697 61.407 62.100 0.007 0.000 1.005 622 T CB 2.124 71.004 68.868 0.021 0.000 1.136 622 T HN 0.093 nan 8.240 nan 0.000 0.498 623 L N 1.058 122.283 121.223 0.005 0.000 2.013 623 L HA -0.018 4.323 4.340 0.002 0.000 0.212 623 L C 2.601 179.480 176.870 0.016 0.000 1.073 623 L CA 2.450 57.292 54.840 0.004 0.000 0.753 623 L CB -0.820 41.240 42.059 0.003 0.000 0.890 623 L HN 1.005 nan 8.230 nan 0.000 0.432 624 E N -0.651 119.566 120.200 0.030 0.000 2.021 624 E HA -0.277 4.074 4.350 0.002 0.000 0.200 624 E C 1.776 178.411 176.600 0.058 0.000 1.015 624 E CA 1.901 58.330 56.400 0.049 0.000 0.824 624 E CB -0.243 29.494 29.700 0.061 0.000 0.762 624 E HN 0.605 nan 8.360 nan 0.000 0.454 625 D N 0.051 120.486 120.400 0.058 0.000 2.178 625 D HA -0.136 4.505 4.640 0.002 0.000 0.201 625 D C 2.114 178.433 176.300 0.032 0.000 0.980 625 D CA 0.944 54.984 54.000 0.067 0.000 0.842 625 D CB 0.008 40.856 40.800 0.080 0.000 0.948 625 D HN 0.159 nan 8.370 nan 0.000 0.472 626 V N 1.180 121.096 119.914 0.004 0.000 2.488 626 V HA -0.136 3.984 4.120 0.002 0.000 0.246 626 V C 2.626 178.692 176.094 -0.047 0.000 1.046 626 V CA 0.723 63.001 62.300 -0.037 0.000 1.053 626 V CB -0.263 31.540 31.823 -0.034 0.000 0.679 626 V HN 0.156 nan 8.190 nan 0.000 0.458 627 L N -0.345 120.870 121.223 -0.014 0.000 2.131 627 L HA -0.149 4.192 4.340 0.002 0.000 0.210 627 L C 2.717 179.583 176.870 -0.007 0.000 1.092 627 L CA 1.266 56.101 54.840 -0.009 0.000 0.759 627 L CB -0.466 41.603 42.059 0.016 0.000 0.903 627 L HN 0.349 nan 8.230 nan 0.000 0.435 628 E N 0.104 120.319 120.200 0.024 0.000 2.106 628 E HA -0.164 4.187 4.350 0.002 0.000 0.192 628 E C 2.255 178.843 176.600 -0.020 0.000 0.984 628 E CA 1.163 57.599 56.400 0.059 0.000 0.806 628 E CB -0.099 29.689 29.700 0.145 0.000 0.750 628 E HN 0.521 nan 8.360 nan 0.000 0.458 629 I N 0.388 120.872 120.570 -0.144 0.000 2.252 629 I HA -0.218 3.953 4.170 0.002 0.000 0.245 629 I C 2.392 178.329 176.117 -0.300 0.000 1.102 629 I CA 0.581 61.613 61.300 -0.447 0.000 1.385 629 I CB -0.137 37.436 38.000 -0.713 0.000 1.064 629 I HN -0.087 nan 8.210 nan 0.000 0.414 630 V N 0.741 120.545 119.914 -0.183 0.000 2.343 630 V HA -0.293 3.828 4.120 0.002 0.000 0.247 630 V C 2.619 178.654 176.094 -0.097 0.000 1.051 630 V CA 1.870 64.096 62.300 -0.123 0.000 1.036 630 V CB -0.779 30.994 31.823 -0.084 0.000 0.654 630 V HN 0.413 nan 8.190 nan 0.000 0.451 631 R N 0.530 120.978 120.500 -0.087 0.000 2.113 631 R HA -0.226 4.115 4.340 0.002 0.000 0.244 631 R C 2.249 178.497 176.300 -0.087 0.000 1.142 631 R CA 2.656 58.707 56.100 -0.081 0.000 0.953 631 R CB -0.358 29.887 30.300 -0.092 0.000 0.860 631 R HN 0.729 nan 8.270 nan 0.000 0.438 632 I N -2.646 117.866 120.570 -0.098 0.000 3.228 632 I HA 0.079 4.250 4.170 0.002 0.000 0.279 632 I C 1.335 177.407 176.117 -0.075 0.000 1.221 632 I CA 0.600 61.851 61.300 -0.080 0.000 1.458 632 I CB 0.035 37.997 38.000 -0.063 0.000 1.105 632 I HN -0.017 nan 8.210 nan 0.000 0.445 633 E N 1.877 122.015 120.200 -0.103 0.000 2.170 633 E HA -0.034 4.317 4.350 0.002 0.000 0.191 633 E C 0.274 176.849 176.600 -0.042 0.000 0.981 633 E CA 0.258 56.619 56.400 -0.066 0.000 0.830 633 E CB -0.019 29.636 29.700 -0.076 0.000 0.775 633 E HN 0.451 nan 8.360 nan 0.000 0.470 634 K N 0.995 121.365 120.400 -0.050 0.000 3.257 634 K HA -0.136 4.185 4.320 0.002 0.000 0.270 634 K C -2.466 174.121 176.600 -0.021 0.000 0.984 634 K CA 0.212 56.479 56.287 -0.033 0.000 0.739 634 K CB -1.190 31.296 32.500 -0.024 0.000 1.351 634 K HN 0.217 nan 8.250 nan 0.000 0.463 635 P HA -0.079 nan 4.420 nan 0.000 0.271 635 P C 0.470 177.764 177.300 -0.009 0.000 1.233 635 P CA -0.001 63.090 63.100 -0.015 0.000 0.789 635 P CB 0.867 32.548 31.700 -0.032 0.000 0.951 636 K N 0.482 120.885 120.400 0.005 0.000 2.116 636 K HA 0.151 4.472 4.320 0.002 0.000 0.203 636 K C 0.695 177.283 176.600 -0.019 0.000 1.052 636 K CA 1.151 57.444 56.287 0.011 0.000 0.952 636 K CB -0.294 32.241 32.500 0.059 0.000 0.729 636 K HN 0.656 nan 8.250 nan 0.000 0.446 637 G N -0.545 108.226 108.800 -0.048 0.000 2.698 637 G HA2 0.516 4.477 3.960 0.002 0.000 0.293 637 G HA3 0.516 4.477 3.960 0.002 0.000 0.293 637 G C -1.899 172.947 174.900 -0.089 0.000 1.437 637 G CA -0.724 44.332 45.100 -0.073 0.000 0.852 637 G HN -0.018 nan 8.290 nan 0.000 0.499 638 V N 1.130 120.990 119.914 -0.088 0.000 2.656 638 V HA 0.521 4.642 4.120 0.002 0.000 0.307 638 V C -0.238 175.788 176.094 -0.114 0.000 1.051 638 V CA -0.684 61.561 62.300 -0.092 0.000 0.893 638 V CB 1.842 33.622 31.823 -0.071 0.000 0.999 638 V HN 0.667 nan 8.190 nan 0.000 0.426 639 I N 4.681 125.169 120.570 -0.137 0.000 2.307 639 I HA 0.260 4.431 4.170 0.002 0.000 0.289 639 I C 0.785 176.827 176.117 -0.124 0.000 1.021 639 I CA -0.316 60.875 61.300 -0.182 0.000 1.224 639 I CB 1.708 39.527 38.000 -0.301 0.000 1.376 639 I HN 0.611 nan 8.210 nan 0.000 0.470 640 V N 2.415 122.273 119.914 -0.094 0.000 3.578 640 V HA 0.132 4.253 4.120 0.002 0.000 0.290 640 V C 1.138 177.221 176.094 -0.018 0.000 1.376 640 V CA 0.382 62.651 62.300 -0.052 0.000 1.083 640 V CB 0.092 31.886 31.823 -0.048 0.000 0.911 640 V HN 0.756 nan 8.190 nan 0.000 0.433 641 Q N -0.796 119.000 119.800 -0.007 0.000 2.392 641 Q HA 0.278 4.619 4.340 0.002 0.000 0.203 641 Q C 1.260 177.455 176.000 0.325 0.000 0.917 641 Q CA 0.697 56.561 55.803 0.102 0.000 0.939 641 Q CB -0.030 28.766 28.738 0.096 0.000 1.063 641 Q HN 0.745 nan 8.270 nan 0.000 0.516 642 Y N -1.277 119.044 120.300 0.034 0.000 2.458 642 Y HA 0.385 4.936 4.550 0.002 0.000 0.254 642 Y C 1.661 177.639 175.900 0.130 0.000 1.120 642 Y CA -0.147 58.012 58.100 0.097 0.000 1.282 642 Y CB 0.411 38.916 38.460 0.076 0.000 1.109 642 Y HN 0.055 nan 8.280 nan 0.000 0.526 643 G N -0.484 108.417 108.800 0.168 0.000 3.707 643 G HA2 0.460 4.421 3.960 0.002 0.000 0.286 643 G HA3 0.460 4.421 3.960 0.002 0.000 0.286 643 G C 0.757 175.516 174.900 -0.234 0.000 1.112 643 G CA 0.281 45.418 45.100 0.061 0.000 0.861 643 G HN 0.519 nan 8.290 nan 0.000 0.534 644 G N 0.093 108.576 108.800 -0.529 0.000 2.615 644 G HA2 -0.252 3.709 3.960 0.002 0.000 0.218 644 G HA3 -0.252 3.709 3.960 0.002 0.000 0.218 644 G C 0.750 175.394 174.900 -0.427 0.000 1.339 644 G CA 0.057 44.581 45.100 -0.960 0.000 0.884 644 G HN 0.122 nan 8.290 nan 0.000 0.559 645 Q N -0.465 119.113 119.800 -0.370 0.000 2.135 645 Q HA -0.086 4.255 4.340 0.002 0.000 0.204 645 Q C 2.957 178.871 176.000 -0.144 0.000 0.981 645 Q CA 2.435 58.115 55.803 -0.204 0.000 0.856 645 Q CB -1.083 27.556 28.738 -0.164 0.000 0.902 645 Q HN 0.754 nan 8.270 nan 0.000 0.425 646 T N 1.984 116.450 114.554 -0.146 0.000 2.544 646 T HA -0.158 4.193 4.350 0.002 0.000 0.264 646 T C -1.025 173.629 174.700 -0.076 0.000 1.096 646 T CA 2.211 64.253 62.100 -0.096 0.000 1.181 646 T CB -1.295 67.520 68.868 -0.088 0.000 0.864 646 T HN 0.282 nan 8.240 nan 0.000 0.415 647 P HA 0.059 nan 4.420 nan 0.000 0.223 647 P C 1.620 178.888 177.300 -0.054 0.000 1.151 647 P CA 0.562 63.629 63.100 -0.055 0.000 0.787 647 P CB -0.191 31.483 31.700 -0.044 0.000 0.788 648 L N 0.139 121.322 121.223 -0.067 0.000 2.046 648 L HA -0.101 4.240 4.340 0.002 0.000 0.208 648 L C 2.294 179.133 176.870 -0.051 0.000 1.077 648 L CA 2.006 56.810 54.840 -0.060 0.000 0.747 648 L CB -0.882 41.130 42.059 -0.078 0.000 0.896 648 L HN -0.195 nan 8.230 nan 0.000 0.432 649 K N -1.109 119.259 120.400 -0.054 0.000 2.283 649 K HA -0.048 4.273 4.320 0.002 0.000 0.202 649 K C 1.852 178.430 176.600 -0.036 0.000 1.048 649 K CA 0.855 57.115 56.287 -0.045 0.000 0.948 649 K CB -0.025 32.446 32.500 -0.047 0.000 0.742 649 K HN 0.323 nan 8.250 nan 0.000 0.458 650 L N -0.398 120.804 121.223 -0.036 0.000 2.375 650 L HA 0.053 4.394 4.340 0.002 0.000 0.215 650 L C 2.310 179.163 176.870 -0.028 0.000 1.108 650 L CA 0.201 55.023 54.840 -0.029 0.000 0.830 650 L CB -0.462 41.579 42.059 -0.030 0.000 0.959 650 L HN 0.140 nan 8.230 nan 0.000 0.457 651 A N 1.125 123.926 122.820 -0.032 0.000 1.882 651 A HA -0.351 3.970 4.320 0.002 0.000 0.220 651 A C 2.346 179.915 177.584 -0.025 0.000 1.253 651 A CA 2.495 54.514 52.037 -0.030 0.000 0.664 651 A CB -0.699 18.283 19.000 -0.030 0.000 0.838 651 A HN 0.302 nan 8.150 nan 0.000 0.460 652 R N -1.002 119.484 120.500 -0.022 0.000 2.097 652 R HA -0.132 4.209 4.340 0.002 0.000 0.236 652 R C 2.571 178.861 176.300 -0.016 0.000 1.135 652 R CA 1.785 57.874 56.100 -0.018 0.000 0.934 652 R CB -0.640 29.650 30.300 -0.017 0.000 0.846 652 R HN 0.576 nan 8.270 nan 0.000 0.431 653 A N 0.806 123.616 122.820 -0.017 0.000 1.884 653 A HA -0.224 4.097 4.320 0.002 0.000 0.219 653 A C 2.200 179.776 177.584 -0.014 0.000 1.197 653 A CA 1.703 53.732 52.037 -0.014 0.000 0.637 653 A CB -0.861 18.131 19.000 -0.013 0.000 0.827 653 A HN 0.282 nan 8.150 nan 0.000 0.450 654 L N -1.066 120.146 121.223 -0.018 0.000 2.013 654 L HA -0.272 4.069 4.340 0.002 0.000 0.212 654 L C 2.666 179.524 176.870 -0.020 0.000 1.073 654 L CA 2.083 56.911 54.840 -0.020 0.000 0.753 654 L CB -0.568 41.475 42.059 -0.027 0.000 0.890 654 L HN 0.629 nan 8.230 nan 0.000 0.432 655 E N 0.171 120.360 120.200 -0.019 0.000 2.023 655 E HA -0.283 4.067 4.350 0.002 0.000 0.196 655 E C 2.209 178.801 176.600 -0.013 0.000 1.003 655 E CA 1.555 57.944 56.400 -0.017 0.000 0.809 655 E CB -0.167 29.523 29.700 -0.016 0.000 0.755 655 E HN 0.404 nan 8.360 nan 0.000 0.449 656 A N 0.844 123.658 122.820 -0.011 0.000 1.927 656 A HA -0.233 4.088 4.320 0.002 0.000 0.220 656 A C 2.329 179.909 177.584 -0.007 0.000 1.185 656 A CA 2.262 54.294 52.037 -0.009 0.000 0.639 656 A CB -1.040 17.955 19.000 -0.008 0.000 0.820 656 A HN 0.446 nan 8.150 nan 0.000 0.451 657 A N -2.145 120.670 122.820 -0.008 0.000 2.238 657 A HA 0.413 4.734 4.320 0.002 0.000 0.208 657 A C 1.757 179.336 177.584 -0.009 0.000 1.177 657 A CA 1.171 53.204 52.037 -0.007 0.000 0.804 657 A CB -1.012 17.985 19.000 -0.006 0.000 0.823 657 A HN 2.051 nan 8.150 nan 0.000 0.482 658 G N -1.488 107.306 108.800 -0.011 0.000 2.141 658 G HA2 -0.190 3.771 3.960 0.002 0.000 0.242 658 G HA3 -0.190 3.771 3.960 0.002 0.000 0.242 658 G C 0.136 175.026 174.900 -0.018 0.000 0.982 658 G CA 0.016 45.109 45.100 -0.012 0.000 0.662 658 G HN 0.782 nan 8.290 nan 0.000 0.527 659 V N 1.781 121.683 119.914 -0.021 0.000 2.637 659 V HA 0.372 4.493 4.120 0.002 0.000 0.296 659 V C -1.137 174.940 176.094 -0.028 0.000 1.046 659 V CA -0.701 61.582 62.300 -0.028 0.000 1.066 659 V CB 1.168 32.971 31.823 -0.033 0.000 0.968 659 V HN 0.233 nan 8.190 nan 0.000 0.483 660 P HA 0.186 nan 4.420 nan 0.000 0.238 660 P C -0.467 176.809 177.300 -0.041 0.000 1.794 660 P CA -0.160 62.921 63.100 -0.031 0.000 1.088 660 P CB 0.093 31.776 31.700 -0.028 0.000 1.923 661 V N 5.002 124.892 119.914 -0.040 0.000 2.470 661 V HA 0.118 4.239 4.120 0.002 0.000 0.276 661 V C 1.236 177.299 176.094 -0.051 0.000 1.040 661 V CA -0.433 61.838 62.300 -0.048 0.000 1.008 661 V CB -0.126 31.671 31.823 -0.042 0.000 0.990 661 V HN 0.359 nan 8.190 nan 0.000 0.477 662 I N 2.397 122.924 120.570 -0.072 0.000 2.783 662 I HA 1.006 5.177 4.170 0.002 0.000 0.312 662 I C 0.764 176.836 176.117 -0.076 0.000 0.988 662 I CA 0.053 61.308 61.300 -0.075 0.000 1.182 662 I CB 1.402 39.343 38.000 -0.098 0.000 1.368 662 I HN 0.889 nan 8.210 nan 0.000 0.511 663 G N 2.889 111.653 108.800 -0.059 0.000 2.542 663 G HA2 -0.185 3.776 3.960 0.002 0.000 0.235 663 G HA3 -0.185 3.776 3.960 0.002 0.000 0.235 663 G C -0.136 174.750 174.900 -0.022 0.000 1.286 663 G CA -0.246 44.826 45.100 -0.046 0.000 0.904 663 G HN 0.941 nan 8.290 nan 0.000 0.577 664 T N 1.309 115.856 114.554 -0.011 0.000 2.908 664 T HA 0.436 4.787 4.350 0.002 0.000 0.301 664 T C 1.263 175.958 174.700 -0.007 0.000 1.019 664 T CA 0.883 62.983 62.100 -0.000 0.000 1.152 664 T CB 0.693 69.566 68.868 0.008 0.000 0.966 664 T HN 1.768 nan 8.240 nan 0.000 0.540 665 S N 4.396 120.094 115.700 -0.002 0.000 2.572 665 S HA 0.135 4.606 4.470 0.002 0.000 0.279 665 S C -1.554 173.042 174.600 -0.008 0.000 1.341 665 S CA -1.207 56.990 58.200 -0.005 0.000 1.043 665 S CB 0.715 63.917 63.200 0.002 0.000 0.887 665 S HN 0.331 nan 8.310 nan 0.000 0.516 666 P HA -0.133 nan 4.420 nan 0.000 0.216 666 P C 1.143 178.437 177.300 -0.011 0.000 1.150 666 P CA 1.272 64.363 63.100 -0.015 0.000 0.843 666 P CB -0.038 31.652 31.700 -0.016 0.000 0.787 667 D N -0.586 119.811 120.400 -0.005 0.000 2.123 667 D HA -0.112 4.529 4.640 0.002 0.000 0.200 667 D C 1.804 178.106 176.300 0.004 0.000 0.976 667 D CA 1.191 55.190 54.000 -0.001 0.000 0.831 667 D CB -0.014 40.788 40.800 0.003 0.000 0.974 667 D HN -0.033 nan 8.370 nan 0.000 0.469 668 A N 1.116 123.940 122.820 0.007 0.000 1.908 668 A HA -0.140 4.181 4.320 0.002 0.000 0.218 668 A C 2.441 180.027 177.584 0.003 0.000 1.181 668 A CA 0.985 53.031 52.037 0.014 0.000 0.627 668 A CB -0.713 18.297 19.000 0.017 0.000 0.818 668 A HN 0.342 nan 8.150 nan 0.000 0.445 669 I N -0.527 120.039 120.570 -0.008 0.000 2.226 669 I HA -0.244 3.927 4.170 0.002 0.000 0.245 669 I C 2.288 178.387 176.117 -0.030 0.000 1.100 669 I CA 1.934 63.221 61.300 -0.022 0.000 1.374 669 I CB -0.460 37.527 38.000 -0.023 0.000 1.057 669 I HN 0.389 nan 8.210 nan 0.000 0.413 670 D N 0.804 121.192 120.400 -0.020 0.000 2.144 670 D HA -0.191 4.450 4.640 0.002 0.000 0.199 670 D C 2.382 178.676 176.300 -0.011 0.000 0.984 670 D CA 1.132 55.120 54.000 -0.020 0.000 0.834 670 D CB 0.032 40.823 40.800 -0.015 0.000 0.955 670 D HN 0.013 nan 8.370 nan 0.000 0.465 671 R N -0.198 120.306 120.500 0.006 0.000 2.103 671 R HA -0.163 4.178 4.340 0.002 0.000 0.242 671 R C 2.118 178.452 176.300 0.057 0.000 1.142 671 R CA 1.388 57.511 56.100 0.038 0.000 0.960 671 R CB -0.402 29.931 30.300 0.054 0.000 0.858 671 R HN 0.278 nan 8.270 nan 0.000 0.439 672 A N 0.782 123.594 122.820 -0.013 0.000 1.874 672 A HA -0.099 4.222 4.320 0.002 0.000 0.214 672 A C 1.940 179.388 177.584 -0.228 0.000 1.189 672 A CA 0.933 52.882 52.037 -0.146 0.000 0.615 672 A CB -0.171 18.735 19.000 -0.156 0.000 0.830 672 A HN 0.182 nan 8.150 nan 0.000 0.443 673 E N 0.723 120.847 120.200 -0.126 0.000 2.047 673 E HA -0.125 4.226 4.350 0.002 0.000 0.191 673 E C 0.004 176.569 176.600 -0.058 0.000 0.987 673 E CA 0.648 56.984 56.400 -0.108 0.000 0.799 673 E CB -0.668 28.991 29.700 -0.070 0.000 0.752 673 E HN 0.610 nan 8.360 nan 0.000 0.449 674 D N 1.228 121.617 120.400 -0.018 0.000 2.363 674 D HA -0.041 4.600 4.640 0.002 0.000 0.263 674 D C 1.443 177.784 176.300 0.068 0.000 1.258 674 D CA -0.044 53.962 54.000 0.011 0.000 0.907 674 D CB 0.581 41.379 40.800 -0.003 0.000 1.107 674 D HN -0.029 nan 8.370 nan 0.000 0.495 675 R N 3.809 124.352 120.500 0.072 0.000 2.134 675 R HA -0.267 4.073 4.340 0.002 0.000 0.248 675 R C 1.399 177.786 176.300 0.145 0.000 1.143 675 R CA 1.422 57.603 56.100 0.135 0.000 0.957 675 R CB -0.676 29.677 30.300 0.087 0.000 0.867 675 R HN 0.577 nan 8.270 nan 0.000 0.441 676 E N 0.352 120.586 120.200 0.057 0.000 2.028 676 E HA -0.067 4.284 4.350 0.002 0.000 0.191 676 E C 2.363 178.899 176.600 -0.107 0.000 0.988 676 E CA 0.523 56.916 56.400 -0.011 0.000 0.799 676 E CB 0.041 29.703 29.700 -0.063 0.000 0.755 676 E HN 0.276 nan 8.360 nan 0.000 0.447 677 R N 0.038 120.486 120.500 -0.087 0.000 2.105 677 R HA -0.168 4.173 4.340 0.002 0.000 0.239 677 R C 2.289 178.637 176.300 0.081 0.000 1.135 677 R CA 0.989 57.035 56.100 -0.091 0.000 0.967 677 R CB -0.585 29.703 30.300 -0.019 0.000 0.861 677 R HN 0.216 nan 8.270 nan 0.000 0.442 678 F N 2.333 122.269 119.950 -0.023 0.000 2.031 678 F HA -0.189 4.339 4.527 0.002 0.000 0.295 678 F C 2.496 178.335 175.800 0.065 0.000 1.133 678 F CA 1.417 59.427 58.000 0.017 0.000 1.188 678 F CB -0.837 38.167 39.000 0.007 0.000 0.974 678 F HN -0.053 nan 8.300 nan 0.000 0.473 679 Q N -0.456 119.312 119.800 -0.054 0.000 2.268 679 Q HA -0.307 4.034 4.340 0.002 0.000 0.213 679 Q C 2.091 178.106 176.000 0.024 0.000 0.995 679 Q CA 2.268 58.015 55.803 -0.093 0.000 0.901 679 Q CB -0.467 28.327 28.738 0.093 0.000 0.921 679 Q HN 0.587 nan 8.270 nan 0.000 0.421 680 H N -1.311 117.704 119.070 -0.093 0.000 2.384 680 H HA 0.089 4.646 4.556 0.002 0.000 0.300 680 H C 1.777 177.067 175.328 -0.064 0.000 1.057 680 H CA 1.220 57.233 56.048 -0.057 0.000 1.370 680 H CB -0.276 29.479 29.762 -0.011 0.000 1.417 680 H HN 0.315 nan 8.280 nan 0.000 0.527 681 A N 0.364 123.235 122.820 0.084 0.000 1.930 681 A HA -0.093 4.228 4.320 0.002 0.000 0.217 681 A C 2.560 180.119 177.584 -0.040 0.000 1.175 681 A CA 1.424 53.488 52.037 0.046 0.000 0.627 681 A CB -0.792 18.273 19.000 0.107 0.000 0.815 681 A HN 0.215 nan 8.150 nan 0.000 0.443 682 V N 0.042 119.847 119.914 -0.181 0.000 2.223 682 V HA -0.302 3.819 4.120 0.002 0.000 0.244 682 V C 2.405 178.422 176.094 -0.128 0.000 1.045 682 V CA 2.355 64.518 62.300 -0.229 0.000 1.000 682 V CB -0.953 30.598 31.823 -0.453 0.000 0.635 682 V HN 0.644 nan 8.190 nan 0.000 0.445 683 E N -0.222 119.901 120.200 -0.129 0.000 2.068 683 E HA -0.368 3.983 4.350 0.002 0.000 0.207 683 E C 2.360 178.914 176.600 -0.077 0.000 1.032 683 E CA 2.186 58.522 56.400 -0.106 0.000 0.839 683 E CB -0.279 29.338 29.700 -0.138 0.000 0.758 683 E HN 0.412 nan 8.360 nan 0.000 0.457 684 R N 0.866 121.331 120.500 -0.059 0.000 2.091 684 R HA -0.128 4.213 4.340 0.002 0.000 0.238 684 R C 2.185 178.474 176.300 -0.019 0.000 1.136 684 R CA 1.214 57.295 56.100 -0.032 0.000 0.959 684 R CB -0.280 30.018 30.300 -0.004 0.000 0.856 684 R HN 0.175 nan 8.270 nan 0.000 0.437 685 L N 0.135 121.349 121.223 -0.016 0.000 2.376 685 L HA 0.037 4.378 4.340 0.002 0.000 0.219 685 L C 0.570 177.433 176.870 -0.012 0.000 1.133 685 L CA 0.841 55.681 54.840 -0.001 0.000 0.816 685 L CB -0.094 41.973 42.059 0.013 0.000 0.933 685 L HN 0.289 nan 8.230 nan 0.000 0.449 686 K N -0.208 120.171 120.400 -0.034 0.000 3.251 686 K HA -0.152 4.169 4.320 0.002 0.000 0.282 686 K C -0.206 176.367 176.600 -0.044 0.000 1.201 686 K CA 0.215 56.478 56.287 -0.041 0.000 0.827 686 K CB -1.587 30.893 32.500 -0.032 0.000 1.286 686 K HN 0.227 nan 8.250 nan 0.000 0.503 687 L N 0.123 121.317 121.223 -0.047 0.000 2.488 687 L HA 0.361 4.702 4.340 0.002 0.000 0.249 687 L C 0.625 177.451 176.870 -0.072 0.000 1.151 687 L CA -0.679 54.136 54.840 -0.042 0.000 0.806 687 L CB 0.573 42.630 42.059 -0.004 0.000 1.261 687 L HN 0.006 nan 8.230 nan 0.000 0.484 688 K N 0.944 121.297 120.400 -0.078 0.000 2.235 688 K HA 0.379 4.700 4.320 0.002 0.000 0.266 688 K C -1.055 175.525 176.600 -0.032 0.000 0.980 688 K CA -0.402 55.810 56.287 -0.125 0.000 0.849 688 K CB 1.553 33.861 32.500 -0.319 0.000 1.098 688 K HN 0.460 nan 8.250 nan 0.000 0.445 689 Q N 2.965 122.773 119.800 0.013 0.000 2.413 689 Q HA 0.457 4.798 4.340 0.002 0.000 0.276 689 Q C -2.462 173.654 176.000 0.193 0.000 1.099 689 Q CA -2.284 53.578 55.803 0.098 0.000 0.814 689 Q CB 2.145 30.882 28.738 -0.002 0.000 1.379 689 Q HN 0.379 nan 8.270 nan 0.000 0.436 690 P HA 0.137 nan 4.420 nan 0.000 0.275 690 P C -1.364 176.021 177.300 0.142 0.000 1.228 690 P CA -0.211 63.024 63.100 0.225 0.000 0.786 690 P CB 0.581 32.375 31.700 0.156 0.000 0.927 691 A N 3.128 126.024 122.820 0.126 0.000 2.511 691 A HA 0.315 4.636 4.320 0.002 0.000 0.242 691 A C 0.496 178.122 177.584 0.071 0.000 1.069 691 A CA 0.184 52.262 52.037 0.069 0.000 0.763 691 A CB -0.919 18.096 19.000 0.026 0.000 1.001 691 A HN 0.796 nan 8.150 nan 0.000 0.498 692 N N -0.109 118.619 118.700 0.048 0.000 3.102 692 N HA 0.842 5.583 4.740 0.002 0.000 0.299 692 N C -0.925 174.604 175.510 0.033 0.000 1.482 692 N CA -0.427 52.651 53.050 0.046 0.000 0.785 692 N CB 1.871 40.392 38.487 0.056 0.000 1.680 692 N HN 1.046 nan 8.380 nan 0.000 0.594 693 A N -0.402 122.439 122.820 0.035 0.000 2.573 693 A HA 0.546 4.867 4.320 0.002 0.000 0.299 693 A C -1.567 176.043 177.584 0.045 0.000 1.060 693 A CA -0.727 51.330 52.037 0.033 0.000 0.736 693 A CB 1.136 20.148 19.000 0.020 0.000 1.280 693 A HN 0.544 nan 8.150 nan 0.000 0.401 694 T N 2.028 116.609 114.554 0.046 0.000 2.743 694 T HA 0.544 4.895 4.350 0.002 0.000 0.292 694 T C -0.215 174.518 174.700 0.055 0.000 0.972 694 T CA -0.252 61.881 62.100 0.054 0.000 0.967 694 T CB 0.857 69.754 68.868 0.049 0.000 0.926 694 T HN 0.624 nan 8.240 nan 0.000 0.459 695 V N 3.451 123.412 119.914 0.078 0.000 2.630 695 V HA 0.355 4.476 4.120 0.002 0.000 0.305 695 V C 1.035 177.185 176.094 0.094 0.000 1.046 695 V CA -0.436 61.911 62.300 0.077 0.000 0.934 695 V CB 1.979 33.850 31.823 0.081 0.000 1.003 695 V HN 0.929 nan 8.190 nan 0.000 0.451 696 T N 2.025 116.615 114.554 0.061 0.000 2.988 696 T HA 0.330 4.681 4.350 0.002 0.000 0.240 696 T C 0.521 175.258 174.700 0.062 0.000 1.014 696 T CA 0.921 63.056 62.100 0.059 0.000 1.155 696 T CB 0.386 69.273 68.868 0.032 0.000 0.872 696 T HN 0.793 nan 8.240 nan 0.000 0.440 697 A N 0.095 122.922 122.820 0.012 0.000 2.330 697 A HA 0.652 4.973 4.320 0.002 0.000 0.329 697 A C 0.768 178.247 177.584 -0.175 0.000 1.135 697 A CA -0.582 51.435 52.037 -0.034 0.000 0.817 697 A CB 0.504 19.481 19.000 -0.040 0.000 1.269 697 A HN 0.124 nan 8.150 nan 0.000 0.469 698 I N 0.499 120.910 120.570 -0.266 0.000 2.069 698 I HA -0.235 3.936 4.170 0.002 0.000 0.237 698 I C 2.261 178.104 176.117 -0.458 0.000 1.053 698 I CA 2.182 63.120 61.300 -0.604 0.000 1.311 698 I CB -0.630 37.176 38.000 -0.325 0.000 1.030 698 I HN 0.898 nan 8.210 nan 0.000 0.398 699 E N -0.314 119.749 120.200 -0.228 0.000 2.204 699 E HA -0.211 4.140 4.350 0.002 0.000 0.195 699 E C 2.250 178.780 176.600 -0.118 0.000 0.990 699 E CA 0.879 57.193 56.400 -0.143 0.000 0.821 699 E CB -0.200 29.452 29.700 -0.081 0.000 0.750 699 E HN 0.374 nan 8.360 nan 0.000 0.477 700 M N -0.679 118.847 119.600 -0.123 0.000 2.086 700 M HA -0.205 4.276 4.480 0.002 0.000 0.261 700 M C 2.064 178.318 176.300 -0.077 0.000 1.067 700 M CA 1.844 57.098 55.300 -0.077 0.000 1.116 700 M CB -0.066 32.498 32.600 -0.060 0.000 1.348 700 M HN 0.255 nan 8.290 nan 0.000 0.407 701 A N -0.687 122.049 122.820 -0.140 0.000 1.873 701 A HA -0.109 4.212 4.320 0.002 0.000 0.215 701 A C 1.954 179.503 177.584 -0.059 0.000 1.186 701 A CA 1.689 53.665 52.037 -0.101 0.000 0.616 701 A CB -1.124 17.750 19.000 -0.209 0.000 0.823 701 A HN 0.377 nan 8.150 nan 0.000 0.442 702 V N 0.434 120.295 119.914 -0.089 0.000 2.546 702 V HA -0.269 3.852 4.120 0.002 0.000 0.254 702 V C 2.454 178.575 176.094 0.046 0.000 1.076 702 V CA 2.522 64.832 62.300 0.016 0.000 1.087 702 V CB -0.861 30.956 31.823 -0.010 0.000 0.674 702 V HN 0.816 nan 8.190 nan 0.000 0.470 703 E N 0.749 120.952 120.200 0.004 0.000 2.099 703 E HA -0.110 4.241 4.350 0.002 0.000 0.191 703 E C 2.039 178.644 176.600 0.009 0.000 0.962 703 E CA 0.831 57.239 56.400 0.013 0.000 0.826 703 E CB -0.253 29.446 29.700 -0.002 0.000 0.788 703 E HN 0.299 nan 8.360 nan 0.000 0.461 704 K N 0.188 120.583 120.400 -0.007 0.000 2.280 704 K HA 0.083 4.404 4.320 0.002 0.000 0.202 704 K C 1.655 178.237 176.600 -0.030 0.000 1.047 704 K CA 1.063 57.343 56.287 -0.012 0.000 0.942 704 K CB -0.382 32.113 32.500 -0.009 0.000 0.739 704 K HN 0.265 nan 8.250 nan 0.000 0.457 705 A N -0.179 122.615 122.820 -0.043 0.000 1.970 705 A HA -0.065 4.256 4.320 0.002 0.000 0.216 705 A C 1.895 179.417 177.584 -0.103 0.000 1.170 705 A CA 1.239 53.184 52.037 -0.154 0.000 0.645 705 A CB -0.218 18.627 19.000 -0.260 0.000 0.816 705 A HN 0.182 nan 8.150 nan 0.000 0.447 706 K N -0.065 120.358 120.400 0.038 0.000 2.211 706 K HA -0.073 4.247 4.320 0.002 0.000 0.203 706 K C 1.942 178.561 176.600 0.032 0.000 1.050 706 K CA 1.268 57.610 56.287 0.092 0.000 0.945 706 K CB -0.053 32.502 32.500 0.092 0.000 0.732 706 K HN 0.628 nan 8.250 nan 0.000 0.451 707 E N 0.003 120.203 120.200 -0.000 0.000 2.047 707 E HA -0.137 4.214 4.350 0.002 0.000 0.191 707 E C 1.801 178.378 176.600 -0.039 0.000 0.987 707 E CA 1.174 57.565 56.400 -0.015 0.000 0.799 707 E CB 0.048 29.739 29.700 -0.014 0.000 0.752 707 E HN 0.260 nan 8.360 nan 0.000 0.449 708 I N -0.072 120.465 120.570 -0.055 0.000 2.406 708 I HA -0.008 4.163 4.170 0.002 0.000 0.249 708 I C 0.975 177.027 176.117 -0.109 0.000 1.122 708 I CA 0.604 61.863 61.300 -0.068 0.000 1.431 708 I CB -0.049 37.924 38.000 -0.044 0.000 1.087 708 I HN 0.162 nan 8.210 nan 0.000 0.424 709 G N 0.254 109.012 108.800 -0.070 0.000 3.019 709 G HA2 -0.223 3.738 3.960 0.002 0.000 0.686 709 G HA3 -0.223 3.738 3.960 0.002 0.000 0.686 709 G C -0.709 174.278 174.900 0.146 0.000 1.056 709 G CA -0.919 44.197 45.100 0.025 0.000 0.774 709 G HN 0.052 nan 8.290 nan 0.000 0.583 710 Y N 2.481 122.880 120.300 0.165 0.000 2.299 710 Y HA 0.520 5.071 4.550 0.002 0.000 0.335 710 Y C -0.773 175.239 175.900 0.186 0.000 1.287 710 Y CA -1.079 57.107 58.100 0.144 0.000 1.424 710 Y CB 0.351 38.868 38.460 0.095 0.000 1.326 710 Y HN 0.553 nan 8.280 nan 0.000 0.567 711 P HA 0.324 nan 4.420 nan 0.000 0.277 711 P C -1.322 175.932 177.300 -0.076 0.000 1.271 711 P CA -0.287 62.843 63.100 0.049 0.000 0.795 711 P CB 0.929 32.414 31.700 -0.357 0.000 1.101 712 L N -0.640 120.479 121.223 -0.174 0.000 2.333 712 L HA 0.407 4.748 4.340 0.002 0.000 0.263 712 L C -0.600 176.127 176.870 -0.239 0.000 1.014 712 L CA -0.839 53.889 54.840 -0.186 0.000 0.820 712 L CB 2.212 44.131 42.059 -0.233 0.000 1.352 712 L HN 0.011 nan 8.230 nan 0.000 0.421 713 V N 2.781 122.594 119.914 -0.170 0.000 2.288 713 V HA 0.313 4.434 4.120 0.002 0.000 0.266 713 V C -0.418 175.577 176.094 -0.165 0.000 1.048 713 V CA -0.696 61.487 62.300 -0.194 0.000 0.842 713 V CB 1.161 32.928 31.823 -0.094 0.000 1.064 713 V HN 0.406 nan 8.190 nan 0.000 0.472 714 V N 6.381 126.141 119.914 -0.257 0.000 2.368 714 V HA 0.473 4.594 4.120 0.002 0.000 0.266 714 V C 0.391 176.371 176.094 -0.189 0.000 1.045 714 V CA -0.517 61.642 62.300 -0.236 0.000 0.899 714 V CB 0.668 32.229 31.823 -0.437 0.000 1.006 714 V HN 0.794 nan 8.190 nan 0.000 0.470 715 R N 4.699 125.161 120.500 -0.064 0.000 2.828 715 R HA 0.830 5.171 4.340 0.002 0.000 0.264 715 R C -2.407 173.907 176.300 0.022 0.000 1.022 715 R CA -1.122 54.967 56.100 -0.018 0.000 1.021 715 R CB 2.108 32.404 30.300 -0.007 0.000 1.163 715 R HN 0.568 nan 8.270 nan 0.000 0.494 725 M N 1.872 121.473 119.600 0.001 0.000 2.085 725 M HA 0.816 5.297 4.480 0.002 0.000 0.309 725 M C -0.941 175.276 176.300 -0.139 0.000 0.947 725 M CA -0.072 55.189 55.300 -0.066 0.000 0.918 725 M CB 1.389 33.962 32.600 -0.045 0.000 1.504 725 M HN 0.629 nan 8.290 nan 0.000 0.420 726 E N 3.810 123.827 120.200 -0.305 0.000 2.320 726 E HA 0.677 5.028 4.350 0.002 0.000 0.264 726 E C -1.728 174.619 176.600 -0.422 0.000 0.923 726 E CA -0.849 55.335 56.400 -0.360 0.000 0.796 726 E CB 2.429 31.852 29.700 -0.462 0.000 1.262 726 E HN 0.888 nan 8.360 nan 0.000 0.428 727 I N 3.408 123.758 120.570 -0.367 0.000 2.355 727 I HA 0.279 4.450 4.170 0.002 0.000 0.288 727 I C -0.574 175.319 176.117 -0.373 0.000 0.999 727 I CA -0.946 60.067 61.300 -0.479 0.000 1.163 727 I CB 1.518 39.096 38.000 -0.704 0.000 1.316 727 I HN 0.316 nan 8.210 nan 0.000 0.454 728 V N 3.791 123.505 119.914 -0.333 0.000 2.547 728 V HA 0.424 4.545 4.120 0.002 0.000 0.299 728 V C -0.465 175.588 176.094 -0.069 0.000 1.040 728 V CA -0.030 62.231 62.300 -0.065 0.000 0.913 728 V CB 1.542 33.403 31.823 0.063 0.000 0.992 728 V HN 0.671 nan 8.190 nan 0.000 0.449 729 Y N 1.740 122.139 120.300 0.164 0.000 2.559 729 Y HA 0.314 4.865 4.550 0.002 0.000 0.279 729 Y C 0.834 176.724 175.900 -0.017 0.000 1.117 729 Y CA 0.294 58.493 58.100 0.164 0.000 1.263 729 Y CB 0.403 38.903 38.460 0.066 0.000 1.230 729 Y HN 0.905 nan 8.280 nan 0.000 0.528 730 D N -1.166 119.193 120.400 -0.068 0.000 2.531 730 D HA 0.095 4.736 4.640 0.002 0.000 0.244 730 D C 0.691 176.708 176.300 -0.472 0.000 1.090 730 D CA -0.656 53.035 54.000 -0.515 0.000 0.989 730 D CB 0.884 41.556 40.800 -0.213 0.000 1.433 730 D HN 0.075 nan 8.370 nan 0.000 0.492 731 E N 0.261 120.153 120.200 -0.513 0.000 2.086 731 E HA -0.306 4.045 4.350 0.002 0.000 0.200 731 E C 1.851 178.467 176.600 0.027 0.000 1.012 731 E CA 1.789 58.125 56.400 -0.108 0.000 0.812 731 E CB -0.249 29.420 29.700 -0.051 0.000 0.743 731 E HN 0.545 nan 8.360 nan 0.000 0.453 732 A N 1.257 124.071 122.820 -0.010 0.000 1.917 732 A HA -0.261 4.060 4.320 0.002 0.000 0.219 732 A C 2.023 179.657 177.584 0.084 0.000 1.182 732 A CA 1.976 54.033 52.037 0.033 0.000 0.633 732 A CB -0.692 18.314 19.000 0.009 0.000 0.819 732 A HN 0.355 nan 8.150 nan 0.000 0.448 733 D N -0.571 119.883 120.400 0.090 0.000 2.104 733 D HA -0.141 4.500 4.640 0.002 0.000 0.194 733 D C 1.866 178.304 176.300 0.229 0.000 0.994 733 D CA 1.266 55.355 54.000 0.149 0.000 0.830 733 D CB -0.291 40.610 40.800 0.168 0.000 0.959 733 D HN 0.229 nan 8.370 nan 0.000 0.452 734 L N 1.412 122.806 121.223 0.285 0.000 1.951 734 L HA -0.223 4.118 4.340 0.002 0.000 0.222 734 L C 2.503 179.669 176.870 0.494 0.000 1.078 734 L CA 1.867 56.957 54.840 0.417 0.000 0.778 734 L CB -0.953 41.357 42.059 0.417 0.000 0.893 734 L HN -0.084 nan 8.230 nan 0.000 0.436 735 R N -0.946 119.747 120.500 0.322 0.000 2.115 735 R HA -0.210 4.131 4.340 0.002 0.000 0.239 735 R C 2.444 178.908 176.300 0.272 0.000 1.133 735 R CA 2.039 58.303 56.100 0.272 0.000 0.935 735 R CB -0.584 29.801 30.300 0.141 0.000 0.853 735 R HN 0.323 nan 8.270 nan 0.000 0.433 736 R N -0.473 120.147 120.500 0.199 0.000 2.159 736 R HA -0.288 4.053 4.340 0.002 0.000 0.252 736 R C 2.195 178.596 176.300 0.168 0.000 1.144 736 R CA 2.345 58.535 56.100 0.151 0.000 0.961 736 R CB -0.607 29.771 30.300 0.131 0.000 0.877 736 R HN 0.370 nan 8.270 nan 0.000 0.444 737 Y N 0.042 120.393 120.300 0.084 0.000 2.163 737 Y HA -0.180 4.370 4.550 0.001 0.000 0.288 737 Y C 1.945 177.819 175.900 -0.043 0.000 1.136 737 Y CA 1.709 59.806 58.100 -0.006 0.000 1.147 737 Y CB -0.726 37.699 38.460 -0.059 0.000 0.987 737 Y HN 0.003 nan 8.280 nan 0.000 0.509 738 F N 1.089 121.074 119.950 0.059 0.000 2.236 738 F HA -0.316 4.211 4.527 0.001 0.000 0.302 738 F C 2.698 178.444 175.800 -0.091 0.000 1.073 738 F CA 2.168 60.149 58.000 -0.031 0.000 1.336 738 F CB -0.573 38.463 39.000 0.060 0.000 1.040 738 F HN 0.327 nan 8.300 nan 0.000 0.507 739 Q N -0.821 119.024 119.800 0.074 0.000 2.096 739 Q HA -0.129 4.212 4.340 0.002 0.000 0.197 739 Q C 2.034 177.995 176.000 -0.064 0.000 0.964 739 Q CA 1.879 57.694 55.803 0.020 0.000 0.838 739 Q CB -0.533 28.222 28.738 0.029 0.000 0.906 739 Q HN 0.208 nan 8.270 nan 0.000 0.444 740 T N 1.382 115.866 114.554 -0.117 0.000 2.652 740 T HA -0.016 4.335 4.350 0.002 0.000 0.267 740 T C 0.949 175.480 174.700 -0.280 0.000 1.039 740 T CA 0.886 62.883 62.100 -0.172 0.000 1.153 740 T CB -0.615 68.156 68.868 -0.162 0.000 0.863 740 T HN 0.577 nan 8.240 nan 0.000 0.428 751 L N 6.261 127.526 121.223 0.071 0.000 2.281 751 L HA 0.495 4.836 4.340 0.002 0.000 0.285 751 L C -0.651 176.247 176.870 0.045 0.000 1.074 751 L CA -0.356 54.518 54.840 0.056 0.000 0.817 751 L CB 1.138 43.222 42.059 0.041 0.000 1.168 751 L HN 0.398 nan 8.230 nan 0.000 0.434 752 L N 4.121 125.373 121.223 0.048 0.000 2.276 752 L HA 0.406 4.747 4.340 0.002 0.000 0.286 752 L C -0.680 176.199 176.870 0.016 0.000 1.024 752 L CA -0.006 54.849 54.840 0.025 0.000 0.826 752 L CB 1.199 43.279 42.059 0.034 0.000 1.211 752 L HN 0.463 nan 8.230 nan 0.000 0.422 753 D N 0.147 120.549 120.400 0.003 0.000 2.481 753 D HA 0.260 4.901 4.640 0.002 0.000 0.244 753 D C -0.687 175.633 176.300 0.034 0.000 1.057 753 D CA -0.455 53.564 54.000 0.033 0.000 0.848 753 D CB 1.200 42.027 40.800 0.045 0.000 1.388 753 D HN 0.391 nan 8.370 nan 0.000 0.475 754 H N 1.858 120.919 119.070 -0.014 0.000 2.899 754 H HA 0.162 4.718 4.556 0.001 0.000 0.303 754 H C -0.814 174.518 175.328 0.008 0.000 1.042 754 H CA -0.288 55.745 56.048 -0.025 0.000 1.479 754 H CB 0.075 29.814 29.762 -0.038 0.000 1.493 754 H HN 0.201 nan 8.280 nan 0.000 0.534 755 F N 6.570 126.079 119.950 -0.734 0.000 2.506 755 F HA 0.168 4.696 4.527 0.001 0.000 0.371 755 F C -0.655 174.760 175.800 -0.642 0.000 1.078 755 F CA -0.771 56.894 58.000 -0.559 0.000 1.195 755 F CB 0.163 38.917 39.000 -0.411 0.000 1.099 755 F HN 0.578 nan 8.300 nan 0.000 0.548 756 L N 6.491 127.034 121.223 -1.133 0.000 2.387 756 L HA 0.135 4.476 4.340 0.002 0.000 0.267 756 L C 0.248 176.383 176.870 -1.224 0.000 1.197 756 L CA -0.414 53.846 54.840 -0.966 0.000 1.070 756 L CB -0.571 41.083 42.059 -0.675 0.000 1.349 756 L HN 0.531 nan 8.230 nan 0.000 0.422 757 D N 3.058 122.829 120.400 -1.048 0.000 2.400 757 D HA -0.071 4.570 4.640 0.002 0.000 0.238 757 D C 0.468 176.591 176.300 -0.295 0.000 1.157 757 D CA 0.210 53.861 54.000 -0.583 0.000 0.889 757 D CB 0.699 41.407 40.800 -0.153 0.000 1.199 757 D HN 0.483 nan 8.370 nan 0.000 0.436 758 D N 0.140 120.464 120.400 -0.127 0.000 2.697 758 D HA -0.179 4.462 4.640 0.002 0.000 0.235 758 D C -0.727 175.510 176.300 -0.106 0.000 1.167 758 D CA 0.819 54.777 54.000 -0.069 0.000 0.656 758 D CB -1.260 39.523 40.800 -0.028 0.000 1.025 758 D HN 0.394 nan 8.370 nan 0.000 0.419 759 A N -0.314 122.428 122.820 -0.131 0.000 2.380 759 A HA 0.669 4.990 4.320 0.002 0.000 0.315 759 A C -0.086 177.460 177.584 -0.064 0.000 1.101 759 A CA -0.633 51.328 52.037 -0.127 0.000 0.771 759 A CB 2.164 21.031 19.000 -0.221 0.000 1.287 759 A HN 0.066 nan 8.150 nan 0.000 0.436 760 V N 1.711 121.592 119.914 -0.055 0.000 2.465 760 V HA 0.289 4.410 4.120 0.002 0.000 0.279 760 V C 0.388 176.445 176.094 -0.061 0.000 1.045 760 V CA -0.275 62.001 62.300 -0.039 0.000 0.938 760 V CB 1.235 33.023 31.823 -0.058 0.000 0.986 760 V HN 0.952 nan 8.190 nan 0.000 0.467 761 E N 3.454 123.588 120.200 -0.108 0.000 2.242 761 E HA 0.663 5.014 4.350 0.002 0.000 0.275 761 E C -1.550 174.715 176.600 -0.559 0.000 1.002 761 E CA -0.412 55.812 56.400 -0.294 0.000 0.841 761 E CB 1.940 31.489 29.700 -0.252 0.000 1.109 761 E HN 0.466 nan 8.360 nan 0.000 0.394 762 V N 3.044 122.748 119.914 -0.350 0.000 2.925 762 V HA 0.308 4.429 4.120 0.002 0.000 0.311 762 V C -1.096 175.020 176.094 0.036 0.000 1.104 762 V CA -0.857 61.356 62.300 -0.145 0.000 0.954 762 V CB 2.373 34.243 31.823 0.079 0.000 1.022 762 V HN 0.770 nan 8.190 nan 0.000 0.427 763 D N 1.015 121.515 120.400 0.167 0.000 2.350 763 D HA 0.731 5.372 4.640 0.002 0.000 0.245 763 D C -1.275 175.154 176.300 0.215 0.000 1.036 763 D CA -0.169 53.959 54.000 0.213 0.000 0.848 763 D CB 2.315 43.273 40.800 0.263 0.000 1.307 763 D HN 0.317 nan 8.370 nan 0.000 0.469 764 V N 2.870 122.899 119.914 0.192 0.000 2.482 764 V HA 0.319 4.440 4.120 0.002 0.000 0.295 764 V C -0.938 175.228 176.094 0.120 0.000 1.026 764 V CA -0.859 61.551 62.300 0.185 0.000 0.856 764 V CB 1.799 33.792 31.823 0.282 0.000 1.001 764 V HN 0.519 nan 8.190 nan 0.000 0.424 765 D N 3.739 124.199 120.400 0.100 0.000 2.193 765 D HA 0.826 5.467 4.640 0.002 0.000 0.244 765 D C -0.044 176.287 176.300 0.051 0.000 1.064 765 D CA 0.206 54.247 54.000 0.068 0.000 0.845 765 D CB 2.298 43.136 40.800 0.063 0.000 1.148 765 D HN 0.800 nan 8.370 nan 0.000 0.464 766 A N 2.169 125.011 122.820 0.035 0.000 2.609 766 A HA 0.747 5.068 4.320 0.002 0.000 0.291 766 A C -1.247 176.342 177.584 0.008 0.000 1.096 766 A CA -0.641 51.406 52.037 0.017 0.000 0.684 766 A CB 1.266 20.269 19.000 0.006 0.000 1.282 766 A HN 0.486 nan 8.150 nan 0.000 0.412 767 I N 0.108 120.675 120.570 -0.005 0.000 2.509 767 I HA 0.496 4.667 4.170 0.002 0.000 0.293 767 I C -0.852 175.239 176.117 -0.043 0.000 1.020 767 I CA -0.549 60.751 61.300 -0.001 0.000 1.088 767 I CB 1.915 39.928 38.000 0.022 0.000 1.267 767 I HN 0.664 nan 8.210 nan 0.000 0.430 768 C N 5.185 124.454 119.300 -0.051 0.000 2.396 768 C HA 0.421 4.882 4.460 0.002 0.000 0.321 768 C C 0.375 175.358 174.990 -0.012 0.000 1.233 768 C CA -0.513 58.446 59.018 -0.098 0.000 1.440 768 C CB 0.545 28.159 27.740 -0.209 0.000 2.110 768 C HN 0.913 nan 8.230 nan 0.000 0.473 769 D N 2.159 122.576 120.400 0.030 0.000 2.368 769 D HA 0.280 4.921 4.640 0.002 0.000 0.218 769 D C 1.433 177.796 176.300 0.105 0.000 1.112 769 D CA 0.585 54.622 54.000 0.061 0.000 0.834 769 D CB -0.005 40.830 40.800 0.058 0.000 0.953 769 D HN 1.272 nan 8.370 nan 0.000 0.505 770 G N 0.592 109.488 108.800 0.159 0.000 2.284 770 G HA2 -0.409 3.552 3.960 0.002 0.000 0.247 770 G HA3 -0.409 3.552 3.960 0.002 0.000 0.247 770 G C 1.018 176.125 174.900 0.345 0.000 1.012 770 G CA 0.439 45.688 45.100 0.247 0.000 0.618 770 G HN 0.448 nan 8.290 nan 0.000 0.521 771 E N -0.386 119.986 120.200 0.287 0.000 2.201 771 E HA 0.450 4.801 4.350 0.002 0.000 0.193 771 E C 1.387 178.198 176.600 0.352 0.000 0.957 771 E CA 0.926 57.456 56.400 0.215 0.000 0.858 771 E CB 0.093 29.866 29.700 0.121 0.000 0.816 771 E HN 0.767 nan 8.360 nan 0.000 0.475 772 M N -1.915 117.924 119.600 0.397 0.000 2.813 772 M HA 0.465 4.946 4.480 0.002 0.000 0.270 772 M C -1.784 174.546 176.300 0.051 0.000 1.267 772 M CA -0.922 54.604 55.300 0.377 0.000 0.822 772 M CB 2.223 34.935 32.600 0.187 0.000 1.671 772 M HN -0.326 nan 8.290 nan 0.000 0.468 773 V N 2.221 122.113 119.914 -0.038 0.000 2.444 773 V HA 0.565 4.686 4.120 0.002 0.000 0.294 773 V C -1.214 174.851 176.094 -0.049 0.000 1.022 773 V CA -0.652 61.550 62.300 -0.164 0.000 0.850 773 V CB 1.631 33.266 31.823 -0.314 0.000 0.992 773 V HN 0.731 nan 8.190 nan 0.000 0.426 774 L N 6.465 127.666 121.223 -0.037 0.000 2.272 774 L HA 0.581 4.922 4.340 0.002 0.000 0.289 774 L C -0.384 176.480 176.870 -0.009 0.000 1.032 774 L CA 0.066 54.900 54.840 -0.011 0.000 0.810 774 L CB 0.956 43.015 42.059 0.000 0.000 1.205 774 L HN 0.435 nan 8.230 nan 0.000 0.422 775 I N 5.825 126.394 120.570 -0.002 0.000 2.379 775 I HA 0.191 4.362 4.170 0.002 0.000 0.290 775 I C 1.321 177.442 176.117 0.007 0.000 1.063 775 I CA 0.310 61.615 61.300 0.008 0.000 1.351 775 I CB 0.658 38.666 38.000 0.012 0.000 1.410 775 I HN 0.871 nan 8.210 nan 0.000 0.505 776 G N 5.107 113.916 108.800 0.015 0.000 2.492 776 G HA2 0.314 4.275 3.960 0.002 0.000 0.214 776 G HA3 0.314 4.275 3.960 0.002 0.000 0.214 776 G C 0.631 175.536 174.900 0.008 0.000 1.147 776 G CA 0.432 45.536 45.100 0.007 0.000 0.809 776 G HN 0.772 nan 8.290 nan 0.000 0.533 777 G N -0.531 108.290 108.800 0.034 0.000 2.658 777 G HA2 0.433 4.394 3.960 0.002 0.000 0.301 777 G HA3 0.433 4.394 3.960 0.002 0.000 0.301 777 G C -1.445 173.511 174.900 0.093 0.000 1.481 777 G CA -0.843 44.288 45.100 0.050 0.000 0.931 777 G HN 0.133 nan 8.290 nan 0.000 0.573 778 I N 2.026 122.653 120.570 0.096 0.000 2.354 778 I HA 0.405 4.576 4.170 0.002 0.000 0.286 778 I C -0.128 176.093 176.117 0.172 0.000 1.007 778 I CA -0.440 60.933 61.300 0.122 0.000 1.167 778 I CB 1.661 39.708 38.000 0.077 0.000 1.320 778 I HN 0.237 nan 8.210 nan 0.000 0.458 779 M N 5.878 125.611 119.600 0.221 0.000 2.227 779 M HA 0.313 4.794 4.480 0.002 0.000 0.335 779 M C -0.275 176.204 176.300 0.298 0.000 1.053 779 M CA -0.393 55.086 55.300 0.298 0.000 0.973 779 M CB 2.013 34.821 32.600 0.348 0.000 1.623 779 M HN 0.449 nan 8.290 nan 0.000 0.434 780 E N 3.589 123.988 120.200 0.333 0.000 2.115 780 E HA 0.240 4.591 4.350 0.002 0.000 0.282 780 E C -1.038 175.835 176.600 0.456 0.000 0.987 780 E CA -0.469 56.116 56.400 0.308 0.000 0.797 780 E CB 0.734 30.598 29.700 0.273 0.000 1.086 780 E HN 0.659 nan 8.360 nan 0.000 0.397 781 H N 3.467 122.678 119.070 0.235 0.000 2.707 781 H HA 0.038 4.595 4.556 0.002 0.000 0.359 781 H C 0.713 176.221 175.328 0.301 0.000 1.113 781 H CA -0.895 55.290 56.048 0.228 0.000 1.422 781 H CB 1.113 30.973 29.762 0.163 0.000 1.443 781 H HN 0.565 nan 8.280 nan 0.000 0.591 782 I N 1.233 122.059 120.570 0.427 0.000 2.162 782 I HA -0.140 4.031 4.170 0.002 0.000 0.238 782 I C 0.662 176.967 176.117 0.313 0.000 1.076 782 I CA 1.125 62.656 61.300 0.386 0.000 1.353 782 I CB -0.269 37.934 38.000 0.339 0.000 1.063 782 I HN 0.613 nan 8.210 nan 0.000 0.408 783 E N 2.110 122.476 120.200 0.277 0.000 2.384 783 E HA 0.057 4.408 4.350 0.002 0.000 0.266 783 E C 0.234 176.984 176.600 0.251 0.000 1.012 783 E CA -0.266 56.275 56.400 0.235 0.000 0.901 783 E CB 0.177 29.997 29.700 0.201 0.000 0.967 783 E HN 0.169 nan 8.360 nan 0.000 0.435 784 Q N 1.727 121.646 119.800 0.197 0.000 2.584 784 Q HA 0.228 4.569 4.340 0.002 0.000 0.218 784 Q C -0.278 175.833 176.000 0.185 0.000 1.079 784 Q CA -0.470 55.428 55.803 0.158 0.000 1.008 784 Q CB 0.349 29.161 28.738 0.123 0.000 1.267 784 Q HN 0.480 nan 8.270 nan 0.000 0.586 785 A N -0.467 122.426 122.820 0.121 0.000 2.540 785 A HA 0.436 4.757 4.320 0.002 0.000 0.239 785 A C 1.124 178.895 177.584 0.312 0.000 1.061 785 A CA 0.806 52.929 52.037 0.144 0.000 0.758 785 A CB -0.786 18.220 19.000 0.011 0.000 0.991 785 A HN 1.461 nan 8.150 nan 0.000 0.502 786 G N 0.402 109.405 108.800 0.339 0.000 2.255 786 G HA2 -0.081 3.880 3.960 0.002 0.000 0.196 786 G HA3 -0.081 3.880 3.960 0.002 0.000 0.196 786 G C -0.001 174.987 174.900 0.146 0.000 0.998 786 G CA 0.051 45.333 45.100 0.304 0.000 0.656 786 G HN 1.467 nan 8.290 nan 0.000 0.490 787 V N 2.945 122.969 119.914 0.184 0.000 2.350 787 V HA 0.429 4.550 4.120 0.002 0.000 0.285 787 V C 0.598 176.803 176.094 0.185 0.000 1.014 787 V CA -1.100 61.303 62.300 0.171 0.000 0.831 787 V CB 1.339 33.267 31.823 0.176 0.000 1.000 787 V HN 0.413 nan 8.190 nan 0.000 0.433 788 H N 3.523 122.644 119.070 0.085 0.000 3.173 788 H HA -0.087 4.470 4.556 0.002 0.000 0.311 788 H C 1.716 177.071 175.328 0.044 0.000 0.972 788 H CA 1.168 57.258 56.048 0.069 0.000 1.384 788 H CB 1.174 30.957 29.762 0.035 0.000 1.349 788 H HN 0.913 nan 8.280 nan 0.000 0.582 789 S N 2.958 118.646 115.700 -0.020 0.000 2.380 789 S HA -0.203 4.268 4.470 0.002 0.000 0.229 789 S C 2.276 176.864 174.600 -0.021 0.000 1.043 789 S CA 1.307 59.481 58.200 -0.043 0.000 1.038 789 S CB -0.769 62.459 63.200 0.048 0.000 0.872 789 S HN 0.747 nan 8.310 nan 0.000 0.456 790 G N 0.858 109.843 108.800 0.309 0.000 2.471 790 G HA2 -0.055 3.905 3.960 0.002 0.000 0.219 790 G HA3 -0.055 3.905 3.960 0.002 0.000 0.219 790 G C 0.739 175.655 174.900 0.027 0.000 1.125 790 G CA 0.884 46.070 45.100 0.144 0.000 0.775 790 G HN 0.591 nan 8.290 nan 0.000 0.548 791 D N -0.238 120.201 120.400 0.065 0.000 2.440 791 D HA 0.214 4.855 4.640 0.002 0.000 0.216 791 D C 0.433 176.738 176.300 0.009 0.000 1.150 791 D CA -0.002 54.015 54.000 0.028 0.000 0.832 791 D CB 0.758 41.602 40.800 0.073 0.000 0.992 791 D HN 0.052 nan 8.370 nan 0.000 0.502 792 S N 0.454 116.116 115.700 -0.064 0.000 2.578 792 S HA 0.701 5.172 4.470 0.002 0.000 0.283 792 S C 0.284 174.819 174.600 -0.108 0.000 1.195 792 S CA -0.761 57.386 58.200 -0.088 0.000 1.050 792 S CB 1.960 65.005 63.200 -0.258 0.000 1.012 792 S HN 0.229 nan 8.310 nan 0.000 0.511 793 A N 0.994 123.819 122.820 0.008 0.000 2.287 793 A HA 0.702 5.023 4.320 0.002 0.000 0.273 793 A C 0.290 177.899 177.584 0.041 0.000 1.091 793 A CA -0.532 51.507 52.037 0.004 0.000 0.817 793 A CB -0.297 18.794 19.000 0.151 0.000 1.069 793 A HN 1.299 nan 8.150 nan 0.000 0.492 794 C N -0.308 119.001 119.300 0.016 0.000 3.285 794 C HA 0.874 5.335 4.460 0.002 0.000 0.325 794 C C -0.374 174.748 174.990 0.220 0.000 1.304 794 C CA -0.078 59.027 59.018 0.145 0.000 1.319 794 C CB 0.891 28.719 27.740 0.147 0.000 1.640 794 C HN 1.666 nan 8.230 nan 0.000 0.477 795 S N 1.663 117.591 115.700 0.379 0.000 2.513 795 S HA 0.808 5.279 4.470 0.002 0.000 0.299 795 S C -1.358 173.541 174.600 0.499 0.000 1.087 795 S CA -0.559 57.931 58.200 0.484 0.000 1.012 795 S CB 1.531 65.066 63.200 0.558 0.000 1.044 795 S HN 1.249 nan 8.310 nan 0.000 0.485 796 L N 4.224 125.746 121.223 0.498 0.000 2.406 796 L HA 0.565 4.906 4.340 0.002 0.000 0.270 796 L C -2.581 174.409 176.870 0.201 0.000 0.982 796 L CA -2.214 52.812 54.840 0.311 0.000 0.843 796 L CB 2.472 44.655 42.059 0.207 0.000 1.225 796 L HN 0.567 nan 8.230 nan 0.000 0.412 797 P HA 0.195 nan 4.420 nan 0.000 0.277 797 P C -0.763 176.736 177.300 0.331 0.000 1.271 797 P CA -0.446 62.717 63.100 0.105 0.000 0.795 797 P CB 0.641 32.308 31.700 -0.055 0.000 1.101 798 A N 0.719 123.691 122.820 0.254 0.000 2.531 798 A HA 0.065 4.386 4.320 0.002 0.000 0.236 798 A C 0.393 178.194 177.584 0.361 0.000 1.062 798 A CA 0.212 52.425 52.037 0.292 0.000 0.760 798 A CB -0.868 18.210 19.000 0.129 0.000 0.995 798 A HN 0.711 nan 8.150 nan 0.000 0.501 799 Y N 0.453 120.817 120.300 0.106 0.000 2.458 799 Y HA 0.301 4.852 4.550 0.001 0.000 0.256 799 Y C 1.265 177.078 175.900 -0.145 0.000 1.159 799 Y CA 0.663 58.743 58.100 -0.033 0.000 1.261 799 Y CB -0.309 37.903 38.460 -0.413 0.000 1.119 799 Y HN 0.629 nan 8.280 nan 0.000 0.524 800 T N -2.806 111.392 114.554 -0.592 0.000 3.074 800 T HA 0.308 4.659 4.350 0.002 0.000 0.258 800 T C 0.146 174.679 174.700 -0.278 0.000 0.891 800 T CA -0.219 61.572 62.100 -0.515 0.000 0.867 800 T CB -0.686 67.745 68.868 -0.729 0.000 1.261 800 T HN 0.118 nan 8.240 nan 0.000 0.537 801 L N 3.814 124.914 121.223 -0.204 0.000 2.461 801 L HA 0.468 4.809 4.340 0.002 0.000 0.272 801 L C 0.989 177.806 176.870 -0.089 0.000 1.197 801 L CA -0.560 54.204 54.840 -0.127 0.000 0.836 801 L CB 0.751 42.753 42.059 -0.095 0.000 1.105 801 L HN 0.413 nan 8.230 nan 0.000 0.477 802 S N 1.343 116.993 115.700 -0.084 0.000 2.592 802 S HA 0.050 4.521 4.470 0.002 0.000 0.271 802 S C 0.630 175.196 174.600 -0.058 0.000 1.326 802 S CA -0.541 57.620 58.200 -0.066 0.000 1.024 802 S CB 1.537 64.699 63.200 -0.064 0.000 0.921 802 S HN 0.681 nan 8.310 nan 0.000 0.527 803 Q N 1.264 121.037 119.800 -0.046 0.000 2.170 803 Q HA -0.172 4.169 4.340 0.002 0.000 0.203 803 Q C 2.007 177.977 176.000 -0.051 0.000 0.976 803 Q CA 2.310 58.088 55.803 -0.042 0.000 0.858 803 Q CB -0.355 28.363 28.738 -0.033 0.000 0.907 803 Q HN 0.979 nan 8.270 nan 0.000 0.433 804 E N -0.582 119.588 120.200 -0.051 0.000 2.051 804 E HA -0.222 4.129 4.350 0.002 0.000 0.192 804 E C 1.781 178.339 176.600 -0.070 0.000 0.991 804 E CA 1.374 57.742 56.400 -0.054 0.000 0.799 804 E CB -0.286 29.386 29.700 -0.048 0.000 0.748 804 E HN 0.473 nan 8.360 nan 0.000 0.449 805 I N 1.081 121.604 120.570 -0.079 0.000 2.353 805 I HA -0.216 3.955 4.170 0.002 0.000 0.248 805 I C 2.289 178.322 176.117 -0.139 0.000 1.119 805 I CA 1.316 62.553 61.300 -0.105 0.000 1.417 805 I CB -0.100 37.841 38.000 -0.099 0.000 1.078 805 I HN 0.189 nan 8.210 nan 0.000 0.421 806 Q N -0.168 119.565 119.800 -0.113 0.000 2.119 806 Q HA -0.217 4.124 4.340 0.002 0.000 0.201 806 Q C 1.670 177.599 176.000 -0.118 0.000 0.972 806 Q CA 1.615 57.346 55.803 -0.119 0.000 0.847 806 Q CB -0.133 28.563 28.738 -0.070 0.000 0.903 806 Q HN 0.468 nan 8.270 nan 0.000 0.433 807 D N -0.181 120.166 120.400 -0.088 0.000 2.178 807 D HA -0.115 4.526 4.640 0.002 0.000 0.201 807 D C 1.836 178.087 176.300 -0.083 0.000 0.980 807 D CA 0.698 54.657 54.000 -0.069 0.000 0.842 807 D CB 0.043 40.814 40.800 -0.049 0.000 0.948 807 D HN 0.041 nan 8.370 nan 0.000 0.472 808 V N 0.665 120.510 119.914 -0.114 0.000 2.358 808 V HA -0.216 3.905 4.120 0.002 0.000 0.246 808 V C 2.477 178.463 176.094 -0.180 0.000 1.047 808 V CA 1.228 63.453 62.300 -0.125 0.000 1.035 808 V CB -0.283 31.454 31.823 -0.143 0.000 0.658 808 V HN 0.211 nan 8.190 nan 0.000 0.452 809 M N -0.984 118.428 119.600 -0.315 0.000 2.086 809 M HA -0.185 4.296 4.480 0.002 0.000 0.261 809 M C 2.420 178.616 176.300 -0.175 0.000 1.067 809 M CA 1.803 56.778 55.300 -0.542 0.000 1.116 809 M CB -0.519 31.564 32.600 -0.861 0.000 1.348 809 M HN 0.173 nan 8.290 nan 0.000 0.407 810 R N -0.009 120.431 120.500 -0.101 0.000 2.139 810 R HA -0.196 4.145 4.340 0.002 0.000 0.243 810 R C 2.120 178.433 176.300 0.022 0.000 1.145 810 R CA 1.524 57.616 56.100 -0.012 0.000 0.976 810 R CB -0.287 30.002 30.300 -0.018 0.000 0.866 810 R HN 0.575 nan 8.270 nan 0.000 0.449 811 Q N -0.246 119.558 119.800 0.007 0.000 2.163 811 Q HA -0.089 4.252 4.340 0.002 0.000 0.198 811 Q C 2.127 178.171 176.000 0.073 0.000 0.954 811 Q CA 0.819 56.644 55.803 0.038 0.000 0.851 811 Q CB 0.193 28.944 28.738 0.021 0.000 0.928 811 Q HN 0.405 nan 8.270 nan 0.000 0.459 812 Q N -0.083 119.768 119.800 0.085 0.000 2.084 812 Q HA -0.151 4.190 4.340 0.002 0.000 0.202 812 Q C 2.221 178.345 176.000 0.207 0.000 0.978 812 Q CA 1.379 57.281 55.803 0.166 0.000 0.844 812 Q CB -0.043 28.851 28.738 0.259 0.000 0.898 812 Q HN 0.218 nan 8.270 nan 0.000 0.426 813 V N 1.099 121.155 119.914 0.237 0.000 2.343 813 V HA -0.324 3.797 4.120 0.002 0.000 0.247 813 V C 2.378 178.504 176.094 0.054 0.000 1.051 813 V CA 2.214 64.618 62.300 0.174 0.000 1.036 813 V CB -0.605 31.323 31.823 0.175 0.000 0.654 813 V HN 0.431 nan 8.190 nan 0.000 0.451 814 Q N -0.107 119.718 119.800 0.041 0.000 2.061 814 Q HA -0.297 4.044 4.340 0.002 0.000 0.204 814 Q C 2.276 178.304 176.000 0.047 0.000 0.984 814 Q CA 2.161 57.952 55.803 -0.020 0.000 0.846 814 Q CB -0.072 28.709 28.738 0.072 0.000 0.902 814 Q HN 0.554 nan 8.270 nan 0.000 0.421 815 K N 0.178 120.657 120.400 0.133 0.000 2.009 815 K HA -0.151 4.170 4.320 0.002 0.000 0.210 815 K C 2.067 178.755 176.600 0.147 0.000 1.049 815 K CA 1.687 58.078 56.287 0.173 0.000 0.929 815 K CB -0.278 32.299 32.500 0.129 0.000 0.714 815 K HN 0.199 nan 8.250 nan 0.000 0.440 816 L N 0.186 121.474 121.223 0.108 0.000 2.012 816 L HA -0.277 4.064 4.340 0.002 0.000 0.210 816 L C 2.454 179.359 176.870 0.058 0.000 1.073 816 L CA 1.404 56.304 54.840 0.099 0.000 0.748 816 L CB -0.675 41.446 42.059 0.103 0.000 0.891 816 L HN 0.291 nan 8.230 nan 0.000 0.431 817 A N 0.248 123.050 122.820 -0.029 0.000 1.859 817 A HA -0.284 4.037 4.320 0.002 0.000 0.218 817 A C 2.027 179.566 177.584 -0.074 0.000 1.209 817 A CA 2.212 54.168 52.037 -0.135 0.000 0.639 817 A CB -1.104 17.674 19.000 -0.370 0.000 0.835 817 A HN 0.299 nan 8.150 nan 0.000 0.450 818 F N -0.160 119.818 119.950 0.047 0.000 2.095 818 F HA -0.138 4.389 4.527 0.002 0.000 0.298 818 F C 2.410 178.233 175.800 0.039 0.000 1.104 818 F CA 1.792 59.815 58.000 0.039 0.000 1.232 818 F CB -0.923 38.097 39.000 0.034 0.000 0.987 818 F HN 0.396 nan 8.300 nan 0.000 0.475 819 E N 0.751 121.089 120.200 0.230 0.000 2.077 819 E HA -0.172 4.179 4.350 0.002 0.000 0.193 819 E C 1.755 178.425 176.600 0.117 0.000 0.989 819 E CA 1.465 57.956 56.400 0.150 0.000 0.800 819 E CB -0.500 29.276 29.700 0.127 0.000 0.746 819 E HN 0.451 nan 8.360 nan 0.000 0.452 820 L N 0.094 121.379 121.223 0.105 0.000 2.591 820 L HA 0.147 4.488 4.340 0.002 0.000 0.228 820 L C 0.321 177.232 176.870 0.068 0.000 1.133 820 L CA 0.069 54.959 54.840 0.083 0.000 0.880 820 L CB -0.089 42.015 42.059 0.075 0.000 1.033 820 L HN 0.040 nan 8.230 nan 0.000 0.450 821 Q N -0.579 119.272 119.800 0.085 0.000 2.493 821 Q HA -0.137 4.204 4.340 0.002 0.000 0.278 821 Q C -0.194 175.837 176.000 0.052 0.000 1.198 821 Q CA 0.295 56.146 55.803 0.080 0.000 0.880 821 Q CB -2.182 26.595 28.738 0.065 0.000 1.260 821 Q HN 0.263 nan 8.270 nan 0.000 0.470 822 V N 1.650 121.583 119.914 0.033 0.000 2.763 822 V HA 0.085 4.206 4.120 0.002 0.000 0.306 822 V C 1.028 177.131 176.094 0.016 0.000 1.059 822 V CA 0.699 63.006 62.300 0.011 0.000 1.138 822 V CB 0.852 32.665 31.823 -0.016 0.000 0.940 822 V HN 0.159 nan 8.190 nan 0.000 0.489 823 R N 3.819 124.330 120.500 0.018 0.000 2.721 823 R HA 0.566 4.907 4.340 0.002 0.000 0.272 823 R C 0.193 176.504 176.300 0.018 0.000 1.721 823 R CA 0.376 56.488 56.100 0.019 0.000 1.325 823 R CB 1.139 31.451 30.300 0.020 0.000 1.271 823 R HN 1.083 nan 8.270 nan 0.000 0.556 824 G N 1.112 109.931 108.800 0.031 0.000 2.250 824 G HA2 -0.130 3.831 3.960 0.002 0.000 0.196 824 G HA3 -0.130 3.831 3.960 0.002 0.000 0.196 824 G C -1.085 173.862 174.900 0.079 0.000 1.308 824 G CA -0.991 44.148 45.100 0.065 0.000 1.207 824 G HN 0.254 nan 8.290 nan 0.000 0.505 825 L N 1.572 122.877 121.223 0.137 0.000 2.453 825 L HA 0.744 5.085 4.340 0.002 0.000 0.261 825 L C 0.959 177.872 176.870 0.071 0.000 1.179 825 L CA 0.123 55.028 54.840 0.108 0.000 0.813 825 L CB 1.091 43.231 42.059 0.135 0.000 1.110 825 L HN 0.938 nan 8.230 nan 0.000 0.466 826 M N 1.580 121.207 119.600 0.045 0.000 2.721 826 M HA 0.484 4.965 4.480 0.002 0.000 0.271 826 M C -1.830 174.484 176.300 0.023 0.000 1.259 826 M CA -0.811 54.504 55.300 0.024 0.000 0.835 826 M CB 2.450 35.050 32.600 -0.001 0.000 1.689 826 M HN 0.521 nan 8.290 nan 0.000 0.470 827 N N 1.128 119.832 118.700 0.007 0.000 2.324 827 N HA 0.635 5.376 4.740 0.002 0.000 0.285 827 N C -2.434 173.053 175.510 -0.039 0.000 1.076 827 N CA -0.288 52.767 53.050 0.010 0.000 0.864 827 N CB 2.997 41.500 38.487 0.028 0.000 1.632 827 N HN 0.662 nan 8.380 nan 0.000 0.478 828 V N 2.378 122.264 119.914 -0.048 0.000 2.656 828 V HA 0.445 4.566 4.120 0.002 0.000 0.307 828 V C -0.530 175.413 176.094 -0.252 0.000 1.051 828 V CA -0.758 61.418 62.300 -0.206 0.000 0.893 828 V CB 1.817 33.466 31.823 -0.290 0.000 0.999 828 V HN 0.597 nan 8.190 nan 0.000 0.426 829 Q N 3.672 123.262 119.800 -0.349 0.000 2.322 829 Q HA 0.704 5.045 4.340 0.002 0.000 0.265 829 Q C -1.636 174.152 176.000 -0.353 0.000 0.985 829 Q CA -0.287 55.383 55.803 -0.222 0.000 0.849 829 Q CB 2.450 31.130 28.738 -0.097 0.000 1.274 829 Q HN 0.645 nan 8.270 nan 0.000 0.449 830 F N 0.354 120.312 119.950 0.014 0.000 2.631 830 F HA 0.800 5.328 4.527 0.001 0.000 0.328 830 F C -0.237 175.559 175.800 -0.007 0.000 1.067 830 F CA -1.176 56.842 58.000 0.031 0.000 0.969 830 F CB 1.752 40.770 39.000 0.031 0.000 1.332 830 F HN 0.518 nan 8.300 nan 0.000 0.490 831 A N 0.881 123.869 122.820 0.280 0.000 2.359 831 A HA 0.766 5.087 4.320 0.002 0.000 0.303 831 A C -1.788 175.892 177.584 0.160 0.000 1.066 831 A CA -0.663 51.444 52.037 0.117 0.000 0.730 831 A CB 1.247 20.245 19.000 -0.005 0.000 1.211 831 A HN 0.502 nan 8.150 nan 0.000 0.439 832 V N 2.841 122.792 119.914 0.061 0.000 2.357 832 V HA 0.539 4.660 4.120 0.002 0.000 0.284 832 V C 0.015 176.117 176.094 0.014 0.000 1.018 832 V CA -0.428 61.914 62.300 0.069 0.000 0.841 832 V CB 1.302 33.126 31.823 0.002 0.000 0.991 832 V HN 0.838 nan 8.190 nan 0.000 0.437 833 K N 4.006 124.449 120.400 0.071 0.000 2.578 833 K HA 0.417 4.738 4.320 0.002 0.000 0.250 833 K C -0.001 176.647 176.600 0.080 0.000 0.955 833 K CA -0.539 55.747 56.287 -0.001 0.000 0.825 833 K CB 0.865 33.269 32.500 -0.159 0.000 1.151 833 K HN 0.803 nan 8.250 nan 0.000 0.432 834 N N 3.708 122.422 118.700 0.024 0.000 2.758 834 N HA -0.254 4.487 4.740 0.002 0.000 0.248 834 N C -0.623 174.903 175.510 0.027 0.000 1.076 834 N CA 0.770 53.835 53.050 0.026 0.000 0.696 834 N CB -1.062 37.450 38.487 0.042 0.000 0.979 834 N HN 0.970 nan 8.380 nan 0.000 0.550 835 N N -0.485 118.221 118.700 0.010 0.000 2.747 835 N HA -0.208 4.533 4.740 0.002 0.000 0.249 835 N C -1.432 174.078 175.510 0.000 0.000 1.107 835 N CA 1.213 54.258 53.050 -0.009 0.000 0.707 835 N CB -0.280 38.193 38.487 -0.024 0.000 1.054 835 N HN 0.565 nan 8.380 nan 0.000 0.555 836 E N 0.159 120.390 120.200 0.052 0.000 2.275 836 E HA 0.311 4.662 4.350 0.002 0.000 0.270 836 E C -0.668 175.982 176.600 0.083 0.000 0.882 836 E CA -0.729 55.685 56.400 0.024 0.000 0.758 836 E CB 2.560 32.278 29.700 0.030 0.000 1.195 836 E HN -0.013 nan 8.360 nan 0.000 0.419 837 V N 3.655 123.531 119.914 -0.064 0.000 2.432 837 V HA 0.261 4.382 4.120 0.002 0.000 0.275 837 V C -0.959 175.101 176.094 -0.056 0.000 1.043 837 V CA -0.260 62.044 62.300 0.006 0.000 0.925 837 V CB 0.008 31.769 31.823 -0.103 0.000 0.985 837 V HN 0.513 nan 8.190 nan 0.000 0.466 838 Y N 3.937 124.319 120.300 0.137 0.000 2.409 838 Y HA 0.554 5.105 4.550 0.002 0.000 0.343 838 Y C -0.222 175.814 175.900 0.226 0.000 0.973 838 Y CA -1.278 56.907 58.100 0.141 0.000 1.064 838 Y CB 1.674 40.179 38.460 0.075 0.000 1.207 838 Y HN 0.418 nan 8.280 nan 0.000 0.452 839 L N 4.246 125.645 121.223 0.294 0.000 2.313 839 L HA 0.315 4.656 4.340 0.002 0.000 0.282 839 L C 0.386 177.346 176.870 0.150 0.000 1.092 839 L CA 0.610 55.544 54.840 0.156 0.000 0.831 839 L CB 0.156 42.295 42.059 0.133 0.000 1.159 839 L HN 0.815 nan 8.230 nan 0.000 0.442 840 I N 2.589 123.190 120.570 0.051 0.000 2.628 840 I HA 0.098 4.269 4.170 0.002 0.000 0.255 840 I C 0.420 176.575 176.117 0.063 0.000 1.119 840 I CA 0.349 61.688 61.300 0.065 0.000 1.448 840 I CB 0.450 38.459 38.000 0.016 0.000 1.133 840 I HN 0.777 nan 8.210 nan 0.000 0.438 841 E N -0.525 119.653 120.200 -0.036 0.000 2.403 841 E HA 0.344 4.695 4.350 0.002 0.000 0.280 841 E C -1.792 174.641 176.600 -0.279 0.000 1.101 841 E CA -0.676 55.623 56.400 -0.169 0.000 0.856 841 E CB 1.963 31.567 29.700 -0.161 0.000 1.303 841 E HN -0.221 nan 8.360 nan 0.000 0.441 842 V N 2.414 122.045 119.914 -0.473 0.000 2.482 842 V HA 0.437 4.558 4.120 0.002 0.000 0.295 842 V C -1.052 174.879 176.094 -0.272 0.000 1.026 842 V CA -0.957 61.141 62.300 -0.337 0.000 0.856 842 V CB 1.688 33.329 31.823 -0.303 0.000 1.001 842 V HN 0.622 nan 8.190 nan 0.000 0.424 843 N N 6.508 125.119 118.700 -0.149 0.000 2.609 843 N HA 0.301 5.042 4.740 0.002 0.000 0.234 843 N C -2.503 172.982 175.510 -0.042 0.000 1.001 843 N CA -1.351 51.648 53.050 -0.086 0.000 0.926 843 N CB 2.068 40.535 38.487 -0.033 0.000 1.130 843 N HN 0.379 nan 8.380 nan 0.000 0.510 844 P HA -0.014 nan 4.420 nan 0.000 0.262 844 P C -0.154 177.159 177.300 0.022 0.000 1.647 844 P CA 0.477 63.568 63.100 -0.015 0.000 0.865 844 P CB -0.177 31.509 31.700 -0.024 0.000 1.834 845 R N -1.971 118.558 120.500 0.048 0.000 2.829 845 R HA 0.727 5.068 4.340 0.002 0.000 0.267 845 R C -1.166 175.214 176.300 0.133 0.000 1.051 845 R CA -1.181 54.981 56.100 0.105 0.000 0.927 845 R CB 0.222 30.575 30.300 0.089 0.000 1.292 845 R HN -0.157 nan 8.270 nan 0.000 0.445 846 A N 0.699 123.633 122.820 0.190 0.000 2.492 846 A HA 0.559 4.880 4.320 0.002 0.000 0.254 846 A C 0.142 177.848 177.584 0.203 0.000 1.091 846 A CA 0.250 52.354 52.037 0.112 0.000 0.768 846 A CB -0.092 18.877 19.000 -0.051 0.000 1.028 846 A HN 0.776 nan 8.150 nan 0.000 0.498 847 A N 2.388 125.277 122.820 0.116 0.000 2.269 847 A HA 0.587 4.908 4.320 0.002 0.000 0.319 847 A C 1.302 178.839 177.584 -0.078 0.000 1.110 847 A CA -0.307 51.810 52.037 0.134 0.000 0.847 847 A CB 0.403 19.457 19.000 0.090 0.000 1.161 847 A HN 1.040 nan 8.150 nan 0.000 0.497 848 R N -0.429 119.953 120.500 -0.196 0.000 2.293 848 R HA -0.093 4.248 4.340 0.002 0.000 0.219 848 R C 0.793 176.938 176.300 -0.258 0.000 1.091 848 R CA 1.870 57.679 56.100 -0.484 0.000 1.004 848 R CB -0.943 29.066 30.300 -0.485 0.000 0.865 848 R HN 0.651 nan 8.270 nan 0.000 0.469 849 T N -2.127 112.367 114.554 -0.102 0.000 3.113 849 T HA 0.121 4.472 4.350 0.002 0.000 0.256 849 T C 1.819 176.535 174.700 0.026 0.000 1.131 849 T CA 0.264 62.367 62.100 0.005 0.000 1.074 849 T CB 0.143 69.059 68.868 0.080 0.000 0.944 849 T HN 0.023 nan 8.240 nan 0.000 0.516 850 V N 2.794 122.671 119.914 -0.061 0.000 2.287 850 V HA -0.089 4.032 4.120 0.002 0.000 0.248 850 V C -0.158 175.895 176.094 -0.069 0.000 1.053 850 V CA 1.782 64.051 62.300 -0.051 0.000 1.027 850 V CB -1.323 30.453 31.823 -0.079 0.000 0.646 850 V HN 0.395 nan 8.190 nan 0.000 0.447 851 P HA -0.182 nan 4.420 nan 0.000 0.215 851 P C 1.747 178.925 177.300 -0.204 0.000 1.157 851 P CA 1.495 64.313 63.100 -0.470 0.000 0.863 851 P CB -0.186 30.899 31.700 -1.024 0.000 0.787 852 F N 0.849 120.661 119.950 -0.229 0.000 2.069 852 F HA -0.213 4.315 4.527 0.002 0.000 0.298 852 F C 1.954 177.734 175.800 -0.033 0.000 1.113 852 F CA 1.500 59.431 58.000 -0.116 0.000 1.214 852 F CB -1.126 37.817 39.000 -0.095 0.000 0.978 852 F HN -0.317 nan 8.300 nan 0.000 0.474 853 V N -0.167 119.678 119.914 -0.116 0.000 2.332 853 V HA -0.333 3.788 4.120 0.002 0.000 0.248 853 V C 2.548 178.550 176.094 -0.153 0.000 1.055 853 V CA 2.111 64.301 62.300 -0.184 0.000 1.038 853 V CB -1.219 30.601 31.823 -0.006 0.000 0.651 853 V HN 0.415 nan 8.190 nan 0.000 0.450 854 S N -0.723 114.937 115.700 -0.067 0.000 2.356 854 S HA -0.230 4.241 4.470 0.002 0.000 0.223 854 S C 2.075 176.679 174.600 0.006 0.000 1.032 854 S CA 1.706 59.907 58.200 0.001 0.000 1.005 854 S CB -0.287 62.983 63.200 0.118 0.000 0.867 854 S HN 0.435 nan 8.310 nan 0.000 0.449 855 K N 1.651 122.051 120.400 0.000 0.000 2.057 855 K HA 0.185 4.506 4.320 0.002 0.000 0.206 855 K C 2.047 178.718 176.600 0.119 0.000 1.050 855 K CA 1.165 57.505 56.287 0.089 0.000 0.935 855 K CB -0.650 31.844 32.500 -0.011 0.000 0.715 855 K HN 0.288 nan 8.250 nan 0.000 0.439 856 A N -0.298 122.441 122.820 -0.136 0.000 1.968 856 A HA -0.112 4.209 4.320 0.002 0.000 0.217 856 A C 2.048 179.666 177.584 0.056 0.000 1.169 856 A CA 2.113 54.096 52.037 -0.091 0.000 0.638 856 A CB -0.708 18.015 19.000 -0.462 0.000 0.812 856 A HN 0.476 nan 8.150 nan 0.000 0.446 857 T N -5.640 108.878 114.554 -0.060 0.000 3.001 857 T HA 0.415 4.766 4.350 0.002 0.000 0.251 857 T C 1.378 175.936 174.700 -0.235 0.000 1.040 857 T CA 1.112 63.148 62.100 -0.108 0.000 0.985 857 T CB 0.278 69.078 68.868 -0.114 0.000 1.011 857 T HN 1.670 nan 8.240 nan 0.000 0.509 858 G N 0.825 109.349 108.800 -0.460 0.000 2.148 858 G HA2 -0.203 3.758 3.960 0.002 0.000 0.254 858 G HA3 -0.203 3.758 3.960 0.002 0.000 0.254 858 G C -0.022 174.647 174.900 -0.386 0.000 0.981 858 G CA 0.076 44.574 45.100 -1.004 0.000 0.670 858 G HN 0.783 nan 8.290 nan 0.000 0.528 859 V N 1.838 121.632 119.914 -0.200 0.000 2.409 859 V HA 0.495 4.616 4.120 0.002 0.000 0.291 859 V C -1.853 174.228 176.094 -0.022 0.000 1.020 859 V CA -1.542 60.702 62.300 -0.093 0.000 0.848 859 V CB 2.089 33.870 31.823 -0.069 0.000 0.990 859 V HN 0.129 nan 8.190 nan 0.000 0.430 860 P HA 0.238 nan 4.420 nan 0.000 0.231 860 P C 1.009 178.362 177.300 0.088 0.000 1.811 860 P CA -0.157 62.990 63.100 0.078 0.000 1.051 860 P CB 0.345 32.036 31.700 -0.014 0.000 1.951 861 L N 1.266 122.542 121.223 0.088 0.000 2.051 861 L HA -0.279 4.062 4.340 0.002 0.000 0.214 861 L C 2.532 179.459 176.870 0.094 0.000 1.076 861 L CA 2.112 56.994 54.840 0.070 0.000 0.758 861 L CB -1.217 40.868 42.059 0.044 0.000 0.890 861 L HN 0.179 nan 8.230 nan 0.000 0.433 862 A N 0.046 122.933 122.820 0.111 0.000 1.902 862 A HA -0.209 4.112 4.320 0.002 0.000 0.217 862 A C 2.368 180.100 177.584 0.246 0.000 1.181 862 A CA 1.782 53.871 52.037 0.086 0.000 0.623 862 A CB -0.327 18.682 19.000 0.015 0.000 0.818 862 A HN 0.379 nan 8.150 nan 0.000 0.443 863 K N -0.517 119.980 120.400 0.162 0.000 2.062 863 K HA -0.017 4.304 4.320 0.002 0.000 0.205 863 K C 1.902 178.554 176.600 0.087 0.000 1.051 863 K CA 1.267 57.607 56.287 0.088 0.000 0.941 863 K CB -0.348 32.130 32.500 -0.037 0.000 0.719 863 K HN 0.297 nan 8.250 nan 0.000 0.440 864 V N 1.669 121.629 119.914 0.077 0.000 2.261 864 V HA -0.258 3.863 4.120 0.002 0.000 0.246 864 V C 2.403 178.548 176.094 0.086 0.000 1.047 864 V CA 2.123 64.461 62.300 0.064 0.000 1.015 864 V CB -0.747 31.105 31.823 0.048 0.000 0.642 864 V HN 0.356 nan 8.190 nan 0.000 0.446 865 A N -0.056 122.843 122.820 0.132 0.000 1.978 865 A HA -0.125 4.196 4.320 0.002 0.000 0.220 865 A C 2.398 180.066 177.584 0.139 0.000 1.170 865 A CA 2.079 54.212 52.037 0.160 0.000 0.636 865 A CB -0.729 18.413 19.000 0.236 0.000 0.810 865 A HN 0.591 nan 8.150 nan 0.000 0.448 866 A N -0.226 122.698 122.820 0.173 0.000 1.933 866 A HA -0.151 4.170 4.320 0.002 0.000 0.218 866 A C 2.232 179.796 177.584 -0.033 0.000 1.175 866 A CA 1.523 53.569 52.037 0.016 0.000 0.628 866 A CB -0.415 18.629 19.000 0.074 0.000 0.814 866 A HN 0.560 nan 8.150 nan 0.000 0.444 867 R N -0.844 119.668 120.500 0.020 0.000 2.075 867 R HA -0.057 4.284 4.340 0.002 0.000 0.232 867 R C 2.030 178.338 176.300 0.013 0.000 1.126 867 R CA 1.371 57.483 56.100 0.019 0.000 0.963 867 R CB -0.516 29.810 30.300 0.043 0.000 0.858 867 R HN 0.370 nan 8.270 nan 0.000 0.435 868 V N 1.239 121.165 119.914 0.021 0.000 2.295 868 V HA -0.275 3.846 4.120 0.002 0.000 0.246 868 V C 2.308 178.400 176.094 -0.002 0.000 1.049 868 V CA 1.781 64.094 62.300 0.020 0.000 1.024 868 V CB -0.344 31.497 31.823 0.031 0.000 0.648 868 V HN 0.344 nan 8.190 nan 0.000 0.447 869 M N -0.195 119.387 119.600 -0.029 0.000 2.149 869 M HA -0.178 4.303 4.480 0.002 0.000 0.261 869 M C 2.124 178.375 176.300 -0.081 0.000 1.064 869 M CA 2.083 57.344 55.300 -0.066 0.000 1.102 869 M CB -0.502 32.024 32.600 -0.124 0.000 1.369 869 M HN 0.399 nan 8.290 nan 0.000 0.408 870 A N -0.714 122.048 122.820 -0.097 0.000 2.206 870 A HA 0.284 4.605 4.320 0.002 0.000 0.211 870 A C 1.765 179.348 177.584 -0.002 0.000 1.158 870 A CA 1.176 53.142 52.037 -0.118 0.000 0.761 870 A CB -0.587 18.275 19.000 -0.229 0.000 0.801 870 A HN 0.670 nan 8.150 nan 0.000 0.473 871 G N -1.149 107.659 108.800 0.013 0.000 2.278 871 G HA2 -0.204 3.757 3.960 0.002 0.000 0.210 871 G HA3 -0.204 3.757 3.960 0.002 0.000 0.210 871 G C 0.341 175.268 174.900 0.046 0.000 1.000 871 G CA 0.138 45.261 45.100 0.037 0.000 0.635 871 G HN 0.490 nan 8.290 nan 0.000 0.495 872 K N 2.300 122.732 120.400 0.053 0.000 2.378 872 K HA 0.466 4.787 4.320 0.002 0.000 0.288 872 K C 1.138 177.762 176.600 0.041 0.000 1.057 872 K CA 0.516 56.834 56.287 0.051 0.000 0.971 872 K CB 0.446 32.983 32.500 0.062 0.000 0.975 872 K HN 0.488 nan 8.250 nan 0.000 0.475 873 S N 3.480 119.203 115.700 0.039 0.000 2.600 873 S HA 0.084 4.555 4.470 0.002 0.000 0.265 873 S C 1.471 176.092 174.600 0.036 0.000 1.325 873 S CA -0.587 57.636 58.200 0.039 0.000 1.002 873 S CB 0.671 63.896 63.200 0.041 0.000 0.921 873 S HN 0.667 nan 8.310 nan 0.000 0.554 874 L N 1.571 122.817 121.223 0.038 0.000 2.017 874 L HA -0.089 4.252 4.340 0.002 0.000 0.208 874 L C 3.094 179.981 176.870 0.028 0.000 1.073 874 L CA 1.702 56.561 54.840 0.032 0.000 0.745 874 L CB -1.179 40.900 42.059 0.034 0.000 0.894 874 L HN 0.962 nan 8.230 nan 0.000 0.432 875 A N -0.092 122.748 122.820 0.032 0.000 1.883 875 A HA -0.269 4.052 4.320 0.002 0.000 0.217 875 A C 2.125 179.722 177.584 0.022 0.000 1.186 875 A CA 1.976 54.029 52.037 0.027 0.000 0.624 875 A CB -0.548 18.469 19.000 0.030 0.000 0.822 875 A HN 0.450 nan 8.150 nan 0.000 0.444 876 E N -0.425 119.790 120.200 0.024 0.000 2.110 876 E HA -0.225 4.126 4.350 0.002 0.000 0.193 876 E C 2.164 178.776 176.600 0.020 0.000 0.988 876 E CA 1.517 57.931 56.400 0.022 0.000 0.804 876 E CB -0.151 29.564 29.700 0.026 0.000 0.745 876 E HN 0.811 nan 8.360 nan 0.000 0.458 877 Q N -1.006 118.807 119.800 0.022 0.000 2.432 877 Q HA 0.102 4.443 4.340 0.002 0.000 0.205 877 Q C 1.080 177.087 176.000 0.012 0.000 0.945 877 Q CA 0.514 56.328 55.803 0.018 0.000 0.924 877 Q CB 0.713 29.464 28.738 0.022 0.000 1.016 877 Q HN 0.330 nan 8.270 nan 0.000 0.503 878 G N 0.792 109.599 108.800 0.012 0.000 2.147 878 G HA2 -0.227 3.734 3.960 0.002 0.000 0.244 878 G HA3 -0.227 3.734 3.960 0.002 0.000 0.244 878 G C -0.101 174.801 174.900 0.004 0.000 1.005 878 G CA 0.046 45.151 45.100 0.007 0.000 0.713 878 G HN 0.218 nan 8.290 nan 0.000 0.515 879 V N 1.529 121.448 119.914 0.007 0.000 2.266 879 V HA 0.594 4.715 4.120 0.002 0.000 0.271 879 V C 0.960 177.059 176.094 0.008 0.000 1.032 879 V CA 0.521 62.823 62.300 0.003 0.000 0.806 879 V CB 0.843 32.668 31.823 0.003 0.000 1.052 879 V HN 0.643 nan 8.190 nan 0.000 0.449 880 T N -0.424 114.134 114.554 0.006 0.000 3.009 880 T HA 0.292 4.643 4.350 0.002 0.000 0.267 880 T C 0.433 175.137 174.700 0.006 0.000 0.942 880 T CA -0.353 61.754 62.100 0.011 0.000 0.883 880 T CB 0.562 69.439 68.868 0.015 0.000 1.192 880 T HN 0.348 nan 8.240 nan 0.000 0.524 881 K N 2.411 122.810 120.400 -0.003 0.000 2.221 881 K HA 0.432 4.753 4.320 0.002 0.000 0.258 881 K C -0.475 176.115 176.600 -0.017 0.000 0.944 881 K CA -0.435 55.847 56.287 -0.008 0.000 0.823 881 K CB 2.641 35.133 32.500 -0.012 0.000 1.113 881 K HN 0.410 nan 8.250 nan 0.000 0.431 882 E N 2.362 122.552 120.200 -0.017 0.000 2.344 882 E HA 0.084 4.435 4.350 0.002 0.000 0.270 882 E C -0.877 175.700 176.600 -0.040 0.000 1.021 882 E CA -0.384 56.001 56.400 -0.024 0.000 0.887 882 E CB 0.817 30.506 29.700 -0.017 0.000 0.997 882 E HN 0.139 nan 8.360 nan 0.000 0.429 883 V N 6.733 126.616 119.914 -0.052 0.000 2.407 883 V HA 0.228 4.349 4.120 0.002 0.000 0.278 883 V C 0.165 176.203 176.094 -0.093 0.000 1.037 883 V CA -0.500 61.754 62.300 -0.075 0.000 0.900 883 V CB 1.188 32.957 31.823 -0.089 0.000 0.983 883 V HN 0.610 nan 8.190 nan 0.000 0.459 884 I N 6.889 127.391 120.570 -0.113 0.000 2.464 884 I HA 0.350 4.521 4.170 0.002 0.000 0.277 884 I C -2.262 173.725 176.117 -0.217 0.000 1.040 884 I CA -1.782 59.433 61.300 -0.143 0.000 1.153 884 I CB 1.424 39.357 38.000 -0.112 0.000 1.274 884 I HN 0.437 nan 8.210 nan 0.000 0.469 885 P HA 0.170 nan 4.420 nan 0.000 0.269 885 P C -1.955 175.003 177.300 -0.571 0.000 1.217 885 P CA -0.877 61.893 63.100 -0.549 0.000 0.783 885 P CB -0.045 31.101 31.700 -0.923 0.000 0.898 886 P HA -0.017 nan 4.420 nan 0.000 0.233 886 P C -0.148 176.995 177.300 -0.260 0.000 1.167 886 P CA 1.133 64.035 63.100 -0.329 0.000 0.770 886 P CB -0.163 31.448 31.700 -0.149 0.000 0.837 887 Y N -2.793 117.466 120.300 -0.069 0.000 2.675 887 Y HA 0.651 5.202 4.550 0.002 0.000 0.328 887 Y C -0.189 175.651 175.900 -0.101 0.000 1.092 887 Y CA -2.398 55.684 58.100 -0.030 0.000 1.190 887 Y CB -0.145 38.326 38.460 0.018 0.000 1.350 887 Y HN -0.330 nan 8.280 nan 0.000 0.525 888 Y N 0.206 120.692 120.300 0.311 0.000 2.361 888 Y HA 0.577 5.128 4.550 0.002 0.000 0.332 888 Y C -0.280 175.790 175.900 0.283 0.000 1.101 888 Y CA -0.340 57.910 58.100 0.250 0.000 1.137 888 Y CB 1.991 40.576 38.460 0.208 0.000 1.207 888 Y HN 0.628 nan 8.280 nan 0.000 0.463 889 S N 2.506 118.476 115.700 0.450 0.000 2.552 889 S HA 0.629 5.100 4.470 0.002 0.000 0.314 889 S C -1.161 173.750 174.600 0.518 0.000 1.099 889 S CA -0.722 57.708 58.200 0.384 0.000 1.070 889 S CB 1.153 64.455 63.200 0.169 0.000 0.998 889 S HN 0.331 nan 8.310 nan 0.000 0.474 890 V N 4.261 124.392 119.914 0.362 0.000 2.487 890 V HA 0.504 4.625 4.120 0.002 0.000 0.298 890 V C -0.061 176.037 176.094 0.006 0.000 1.028 890 V CA -0.788 61.626 62.300 0.191 0.000 0.860 890 V CB 1.805 33.608 31.823 -0.033 0.000 0.991 890 V HN 0.744 nan 8.190 nan 0.000 0.427 891 K N 3.708 123.945 120.400 -0.272 0.000 2.182 891 K HA 0.678 4.999 4.320 0.002 0.000 0.262 891 K C -1.025 175.372 176.600 -0.339 0.000 0.957 891 K CA -0.402 55.571 56.287 -0.524 0.000 0.842 891 K CB 2.140 33.941 32.500 -1.165 0.000 1.099 891 K HN 0.722 nan 8.250 nan 0.000 0.438 892 E N 2.676 122.697 120.200 -0.299 0.000 2.317 892 E HA 0.324 4.675 4.350 0.002 0.000 0.270 892 E C -1.305 175.178 176.600 -0.195 0.000 0.885 892 E CA -0.882 55.369 56.400 -0.249 0.000 0.760 892 E CB 1.779 31.283 29.700 -0.325 0.000 1.227 892 E HN 0.421 nan 8.360 nan 0.000 0.434 893 V N 1.131 120.959 119.914 -0.142 0.000 3.096 893 V HA 0.869 4.990 4.120 0.002 0.000 0.319 893 V C -0.227 175.813 176.094 -0.089 0.000 1.082 893 V CA -0.459 61.773 62.300 -0.114 0.000 1.022 893 V CB 1.490 33.257 31.823 -0.093 0.000 1.103 893 V HN 0.652 nan 8.190 nan 0.000 0.455 894 V N 0.839 120.702 119.914 -0.084 0.000 2.540 894 V HA 0.785 4.906 4.120 0.002 0.000 0.302 894 V C -0.720 175.318 176.094 -0.094 0.000 1.035 894 V CA -0.608 61.648 62.300 -0.074 0.000 0.873 894 V CB 1.052 32.834 31.823 -0.067 0.000 0.992 894 V HN 0.885 nan 8.190 nan 0.000 0.428 895 L N 5.861 127.020 121.223 -0.108 0.000 2.334 895 L HA 0.666 5.006 4.340 0.002 0.000 0.273 895 L C -1.662 175.060 176.870 -0.247 0.000 1.013 895 L CA -1.473 53.227 54.840 -0.234 0.000 0.816 895 L CB 2.567 44.409 42.059 -0.361 0.000 1.278 895 L HN 0.470 nan 8.230 nan 0.000 0.431 896 P HA 0.047 nan 4.420 nan 0.000 0.253 896 P C 1.156 178.323 177.300 -0.222 0.000 1.260 896 P CA 0.200 63.133 63.100 -0.277 0.000 0.800 896 P CB 0.039 31.580 31.700 -0.265 0.000 1.162 897 F N 2.522 122.512 119.950 0.067 0.000 2.192 897 F HA -0.223 4.305 4.527 0.002 0.000 0.301 897 F C 2.187 178.003 175.800 0.027 0.000 1.079 897 F CA 1.482 59.548 58.000 0.110 0.000 1.303 897 F CB -1.704 37.390 39.000 0.157 0.000 1.024 897 F HN 0.126 nan 8.300 nan 0.000 0.494 898 N N 0.559 119.330 118.700 0.118 0.000 2.309 898 N HA -0.178 4.563 4.740 0.002 0.000 0.182 898 N C 1.315 176.764 175.510 -0.103 0.000 1.018 898 N CA 1.064 54.128 53.050 0.023 0.000 0.876 898 N CB -0.441 38.047 38.487 0.002 0.000 0.972 898 N HN 0.144 nan 8.380 nan 0.000 0.434 899 K N -0.030 120.205 120.400 -0.275 0.000 2.296 899 K HA 0.069 4.390 4.320 0.002 0.000 0.200 899 K C -0.210 175.983 176.600 -0.678 0.000 1.048 899 K CA 0.355 56.291 56.287 -0.586 0.000 0.966 899 K CB -0.117 31.784 32.500 -0.998 0.000 0.754 899 K HN 0.283 nan 8.250 nan 0.000 0.466 900 F N 0.892 120.821 119.950 -0.034 0.000 2.622 900 F HA 0.267 4.795 4.527 0.001 0.000 0.338 900 F C -1.771 174.074 175.800 0.076 0.000 1.334 900 F CA -2.628 55.384 58.000 0.020 0.000 1.179 900 F CB 1.377 40.368 39.000 -0.015 0.000 1.471 900 F HN -0.143 nan 8.300 nan 0.000 0.576 901 P HA -0.166 nan 4.420 nan 0.000 0.217 901 P C 1.796 179.165 177.300 0.116 0.000 1.148 901 P CA 1.522 64.687 63.100 0.108 0.000 0.834 901 P CB 0.223 31.947 31.700 0.040 0.000 0.783 902 G N -0.553 108.335 108.800 0.146 0.000 2.559 902 G HA2 -0.015 3.946 3.960 0.002 0.000 0.216 902 G HA3 -0.015 3.946 3.960 0.002 0.000 0.216 902 G C 0.507 175.480 174.900 0.121 0.000 1.126 902 G CA 0.047 45.215 45.100 0.113 0.000 0.778 902 G HN 0.220 nan 8.290 nan 0.000 0.543 903 V N 0.886 120.914 119.914 0.190 0.000 2.607 903 V HA 0.177 4.298 4.120 0.002 0.000 0.289 903 V C -0.168 175.951 176.094 0.042 0.000 1.053 903 V CA -1.031 61.381 62.300 0.187 0.000 0.996 903 V CB 1.811 33.876 31.823 0.403 0.000 0.995 903 V HN 0.143 nan 8.190 nan 0.000 0.476 904 D N 6.070 126.441 120.400 -0.047 0.000 2.338 904 D HA 0.160 4.801 4.640 0.002 0.000 0.255 904 D C -2.028 174.008 176.300 -0.440 0.000 1.237 904 D CA -1.981 51.919 54.000 -0.166 0.000 0.883 904 D CB 1.445 42.180 40.800 -0.109 0.000 1.087 904 D HN 0.261 nan 8.370 nan 0.000 0.485 905 P HA 0.101 nan 4.420 nan 0.000 0.238 905 P C -0.561 176.329 177.300 -0.682 0.000 1.714 905 P CA -0.345 62.076 63.100 -1.131 0.000 0.908 905 P CB -0.308 31.187 31.700 -0.342 0.000 1.893 906 L N 0.241 121.128 121.223 -0.560 0.000 2.334 906 L HA 0.397 4.738 4.340 0.002 0.000 0.276 906 L C -0.575 176.320 176.870 0.041 0.000 1.014 906 L CA -1.130 53.629 54.840 -0.136 0.000 0.815 906 L CB 1.266 43.268 42.059 -0.094 0.000 1.268 906 L HN -0.099 nan 8.230 nan 0.000 0.428 907 L N 4.076 125.375 121.223 0.127 0.000 2.436 907 L HA 0.777 5.118 4.340 0.002 0.000 0.265 907 L C 0.679 177.622 176.870 0.122 0.000 1.168 907 L CA 0.133 55.076 54.840 0.172 0.000 0.815 907 L CB 0.947 43.103 42.059 0.160 0.000 1.109 907 L HN 0.870 nan 8.230 nan 0.000 0.462 908 G N 0.904 109.779 108.800 0.125 0.000 2.561 908 G HA2 0.327 4.288 3.960 0.002 0.000 0.310 908 G HA3 0.327 4.288 3.960 0.002 0.000 0.310 908 G C -2.666 172.295 174.900 0.102 0.000 1.292 908 G CA -0.341 44.808 45.100 0.082 0.000 0.811 908 G HN 0.310 nan 8.290 nan 0.000 0.482 909 P HA 0.107 nan 4.420 nan 0.000 0.230 909 P C 0.055 177.474 177.300 0.199 0.000 1.158 909 P CA 0.886 64.040 63.100 0.090 0.000 0.769 909 P CB 0.333 32.020 31.700 -0.022 0.000 0.807 910 E N 0.164 120.425 120.200 0.100 0.000 2.191 910 E HA 0.268 4.619 4.350 0.002 0.000 0.278 910 E C -0.101 176.426 176.600 -0.122 0.000 0.972 910 E CA -0.853 55.546 56.400 -0.002 0.000 0.804 910 E CB 1.629 31.294 29.700 -0.058 0.000 1.110 910 E HN 0.094 nan 8.360 nan 0.000 0.394 911 M N 2.986 122.316 119.600 -0.450 0.000 2.185 911 M HA 0.150 4.631 4.480 0.002 0.000 0.357 911 M C 0.213 176.378 176.300 -0.225 0.000 1.260 911 M CA 0.318 55.364 55.300 -0.425 0.000 1.124 911 M CB 0.414 32.556 32.600 -0.762 0.000 1.600 911 M HN 0.311 nan 8.290 nan 0.000 0.467 912 R N 1.307 121.738 120.500 -0.115 0.000 2.517 912 R HA 0.179 4.520 4.340 0.002 0.000 0.265 912 R C 0.116 176.394 176.300 -0.037 0.000 0.921 912 R CA 0.189 56.251 56.100 -0.064 0.000 1.054 912 R CB 0.693 30.994 30.300 0.002 0.000 1.340 912 R HN 0.845 nan 8.270 nan 0.000 0.551 913 S N -0.555 115.098 115.700 -0.077 0.000 2.572 913 S HA 0.034 4.505 4.470 0.002 0.000 0.279 913 S C 1.222 175.789 174.600 -0.055 0.000 1.341 913 S CA 0.220 58.369 58.200 -0.086 0.000 1.043 913 S CB 1.525 64.678 63.200 -0.078 0.000 0.887 913 S HN 0.296 nan 8.310 nan 0.000 0.516 914 T N -0.478 114.038 114.554 -0.064 0.000 3.023 914 T HA 0.486 4.837 4.350 0.002 0.000 0.249 914 T C 0.854 175.522 174.700 -0.053 0.000 1.050 914 T CA 0.299 62.371 62.100 -0.047 0.000 1.088 914 T CB -0.259 68.576 68.868 -0.055 0.000 0.946 914 T HN 1.076 nan 8.240 nan 0.000 0.480 915 G N 0.410 109.169 108.800 -0.068 0.000 2.782 915 G HA2 0.636 4.597 3.960 0.002 0.000 0.304 915 G HA3 0.636 4.597 3.960 0.002 0.000 0.304 915 G C -1.995 172.850 174.900 -0.093 0.000 1.315 915 G CA -0.713 44.344 45.100 -0.072 0.000 0.791 915 G HN 0.572 nan 8.290 nan 0.000 0.519 916 E N -2.101 118.039 120.200 -0.099 0.000 2.401 916 E HA 0.571 4.922 4.350 0.002 0.000 0.280 916 E C -1.457 175.076 176.600 -0.113 0.000 1.039 916 E CA -0.995 55.328 56.400 -0.127 0.000 0.814 916 E CB 2.148 31.750 29.700 -0.164 0.000 1.275 916 E HN 1.200 nan 8.360 nan 0.000 0.448 917 V N -0.739 119.096 119.914 -0.131 0.000 3.102 917 V HA 0.760 4.881 4.120 0.002 0.000 0.312 917 V C -0.707 175.324 176.094 -0.105 0.000 1.135 917 V CA -1.042 61.197 62.300 -0.102 0.000 1.022 917 V CB 1.916 33.678 31.823 -0.101 0.000 1.056 917 V HN 0.921 nan 8.190 nan 0.000 0.436 918 M N 2.288 121.865 119.600 -0.037 0.000 2.393 918 M HA 0.820 5.301 4.480 0.002 0.000 0.316 918 M C -0.264 176.034 176.300 -0.002 0.000 1.087 918 M CA -0.315 55.011 55.300 0.043 0.000 0.937 918 M CB 1.916 34.631 32.600 0.191 0.000 1.668 918 M HN 1.165 nan 8.290 nan 0.000 0.438 919 G N 3.434 112.235 108.800 0.002 0.000 2.557 919 G HA2 0.596 4.557 3.960 0.002 0.000 0.310 919 G HA3 0.596 4.557 3.960 0.002 0.000 0.310 919 G C -1.542 173.364 174.900 0.011 0.000 1.328 919 G CA -0.418 44.653 45.100 -0.048 0.000 0.945 919 G HN 0.579 nan 8.290 nan 0.000 0.494 920 V N 2.151 122.051 119.914 -0.024 0.000 2.347 920 V HA 0.822 4.943 4.120 0.002 0.000 0.280 920 V C 0.738 176.832 176.094 0.001 0.000 1.021 920 V CA -0.106 62.176 62.300 -0.029 0.000 0.847 920 V CB 0.903 32.618 31.823 -0.181 0.000 0.990 920 V HN 0.949 nan 8.190 nan 0.000 0.444 921 G N 3.568 112.433 108.800 0.108 0.000 2.642 921 G HA2 0.540 4.501 3.960 0.002 0.000 0.293 921 G HA3 0.540 4.501 3.960 0.002 0.000 0.293 921 G C 0.045 175.082 174.900 0.227 0.000 1.341 921 G CA -0.793 44.373 45.100 0.111 0.000 0.916 921 G HN 0.538 nan 8.290 nan 0.000 0.474 922 R N -1.057 119.546 120.500 0.172 0.000 2.189 922 R HA 0.133 4.474 4.340 0.002 0.000 0.218 922 R C 1.160 177.634 176.300 0.290 0.000 1.074 922 R CA 1.410 57.633 56.100 0.204 0.000 0.991 922 R CB 0.045 30.422 30.300 0.129 0.000 0.883 922 R HN 0.649 nan 8.270 nan 0.000 0.457 923 T N -4.704 110.000 114.554 0.250 0.000 2.865 923 T HA 0.200 4.551 4.350 0.002 0.000 0.294 923 T C 0.423 175.095 174.700 -0.046 0.000 1.119 923 T CA -0.929 61.299 62.100 0.214 0.000 1.007 923 T CB 1.162 70.096 68.868 0.109 0.000 1.225 923 T HN -0.006 nan 8.240 nan 0.000 0.515 924 F N 1.765 121.348 119.950 -0.612 0.000 2.095 924 F HA 0.059 4.587 4.527 0.002 0.000 0.298 924 F C 2.589 178.248 175.800 -0.236 0.000 1.104 924 F CA 2.215 59.773 58.000 -0.737 0.000 1.232 924 F CB -0.903 37.636 39.000 -0.768 0.000 0.987 924 F HN 0.779 nan 8.300 nan 0.000 0.475 925 A N -0.085 122.652 122.820 -0.139 0.000 1.917 925 A HA -0.294 4.027 4.320 0.002 0.000 0.219 925 A C 2.280 179.777 177.584 -0.145 0.000 1.182 925 A CA 2.097 54.061 52.037 -0.122 0.000 0.633 925 A CB -1.125 17.883 19.000 0.014 0.000 0.819 925 A HN 0.630 nan 8.150 nan 0.000 0.448 926 E N -0.511 119.629 120.200 -0.099 0.000 2.047 926 E HA -0.073 4.278 4.350 0.002 0.000 0.191 926 E C 2.279 178.816 176.600 -0.105 0.000 0.987 926 E CA 0.853 57.211 56.400 -0.070 0.000 0.799 926 E CB -0.242 29.451 29.700 -0.012 0.000 0.752 926 E HN 0.541 nan 8.360 nan 0.000 0.449 927 A N 0.766 123.515 122.820 -0.119 0.000 1.883 927 A HA -0.221 4.100 4.320 0.002 0.000 0.217 927 A C 2.011 179.461 177.584 -0.224 0.000 1.186 927 A CA 1.467 53.439 52.037 -0.108 0.000 0.624 927 A CB -0.987 18.006 19.000 -0.013 0.000 0.822 927 A HN 0.466 nan 8.150 nan 0.000 0.444 928 F N 0.710 120.342 119.950 -0.530 0.000 2.095 928 F HA -0.108 4.420 4.527 0.002 0.000 0.298 928 F C 2.616 178.224 175.800 -0.319 0.000 1.104 928 F CA 1.352 59.027 58.000 -0.542 0.000 1.232 928 F CB -0.396 38.047 39.000 -0.928 0.000 0.987 928 F HN 0.256 nan 8.300 nan 0.000 0.475 929 A N -0.156 122.596 122.820 -0.114 0.000 1.933 929 A HA -0.224 4.097 4.320 0.002 0.000 0.218 929 A C 2.204 179.668 177.584 -0.200 0.000 1.175 929 A CA 1.955 53.920 52.037 -0.120 0.000 0.628 929 A CB -0.635 18.315 19.000 -0.083 0.000 0.814 929 A HN 0.454 nan 8.150 nan 0.000 0.444 930 K N -0.439 119.844 120.400 -0.194 0.000 2.062 930 K HA 0.041 4.362 4.320 0.002 0.000 0.205 930 K C 2.319 178.788 176.600 -0.219 0.000 1.051 930 K CA 1.027 57.208 56.287 -0.175 0.000 0.941 930 K CB -0.289 32.135 32.500 -0.127 0.000 0.719 930 K HN 0.421 nan 8.250 nan 0.000 0.440 931 A N 1.265 123.900 122.820 -0.308 0.000 1.902 931 A HA -0.248 4.073 4.320 0.002 0.000 0.217 931 A C 2.148 179.481 177.584 -0.417 0.000 1.181 931 A CA 1.524 53.342 52.037 -0.365 0.000 0.623 931 A CB -0.513 18.200 19.000 -0.477 0.000 0.818 931 A HN 0.363 nan 8.150 nan 0.000 0.443 932 Q N -0.909 118.569 119.800 -0.537 0.000 2.050 932 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 932 Q C 2.003 177.850 176.000 -0.255 0.000 0.980 932 Q CA 1.763 57.308 55.803 -0.430 0.000 0.840 932 Q CB -0.266 28.222 28.738 -0.417 0.000 0.898 932 Q HN 0.516 nan 8.270 nan 0.000 0.424 933 L N 0.321 121.415 121.223 -0.215 0.000 2.046 933 L HA -0.017 4.324 4.340 0.002 0.000 0.208 933 L C 2.122 178.931 176.870 -0.103 0.000 1.077 933 L CA 2.423 57.177 54.840 -0.143 0.000 0.747 933 L CB -1.023 40.945 42.059 -0.152 0.000 0.896 933 L HN 0.312 nan 8.230 nan 0.000 0.432 934 G N -1.658 107.068 108.800 -0.123 0.000 2.471 934 G HA2 -0.245 3.716 3.960 0.002 0.000 0.219 934 G HA3 -0.245 3.716 3.960 0.002 0.000 0.219 934 G C 1.541 176.390 174.900 -0.086 0.000 1.125 934 G CA 0.845 45.891 45.100 -0.089 0.000 0.775 934 G HN 0.581 nan 8.290 nan 0.000 0.548 935 S N -0.370 115.262 115.700 -0.114 0.000 2.607 935 S HA 0.002 4.473 4.470 0.002 0.000 0.224 935 S C 1.171 175.740 174.600 -0.053 0.000 0.969 935 S CA 0.793 58.935 58.200 -0.097 0.000 0.927 935 S CB -0.592 62.530 63.200 -0.130 0.000 0.772 935 S HN 0.571 nan 8.310 nan 0.000 0.533 936 N N 0.275 118.951 118.700 -0.040 0.000 2.829 936 N HA -0.194 4.547 4.740 0.002 0.000 0.250 936 N C -0.348 175.171 175.510 0.016 0.000 1.090 936 N CA 0.599 53.646 53.050 -0.005 0.000 0.781 936 N CB -1.703 36.784 38.487 -0.001 0.000 1.124 936 N HN 0.555 nan 8.380 nan 0.000 0.559 937 S N 0.146 115.836 115.700 -0.017 0.000 2.537 937 S HA 0.128 4.599 4.470 0.002 0.000 0.286 937 S C 1.552 176.161 174.600 0.016 0.000 1.299 937 S CA 0.721 58.917 58.200 -0.008 0.000 1.067 937 S CB 1.014 64.091 63.200 -0.204 0.000 0.864 937 S HN 0.322 nan 8.310 nan 0.000 0.494 938 T N 3.345 117.964 114.554 0.109 0.000 3.219 938 T HA 0.193 4.544 4.350 0.002 0.000 0.249 938 T C 0.597 175.362 174.700 0.107 0.000 1.099 938 T CA -0.445 61.727 62.100 0.119 0.000 0.988 938 T CB -0.404 68.564 68.868 0.167 0.000 0.999 938 T HN 0.579 nan 8.240 nan 0.000 0.550 939 M N 3.080 122.682 119.600 0.003 0.000 2.248 939 M HA 0.198 4.679 4.480 0.002 0.000 0.343 939 M C -0.189 176.112 176.300 0.001 0.000 1.243 939 M CA -0.048 55.238 55.300 -0.024 0.000 1.025 939 M CB 0.107 32.536 32.600 -0.286 0.000 1.759 939 M HN 0.038 nan 8.290 nan 0.000 0.452 940 K N 4.337 124.758 120.400 0.035 0.000 2.258 940 K HA 0.347 4.668 4.320 0.002 0.000 0.236 940 K C -0.095 176.511 176.600 0.010 0.000 1.008 940 K CA -0.698 55.545 56.287 -0.073 0.000 0.869 940 K CB 1.154 33.443 32.500 -0.350 0.000 1.171 940 K HN 0.610 nan 8.250 nan 0.000 0.447 941 K N 0.803 121.172 120.400 -0.051 0.000 2.387 941 K HA 0.041 4.362 4.320 0.002 0.000 0.198 941 K C 0.388 176.919 176.600 -0.113 0.000 1.022 941 K CA 0.198 56.527 56.287 0.069 0.000 1.128 941 K CB 0.240 32.784 32.500 0.073 0.000 0.853 941 K HN 0.595 nan 8.250 nan 0.000 0.523 942 H N -2.802 116.003 119.070 -0.442 0.000 2.947 942 H HA 0.615 5.172 4.556 0.001 0.000 0.290 942 H C 0.268 175.009 175.328 -0.977 0.000 1.430 942 H CA -0.361 55.169 56.048 -0.863 0.000 1.189 942 H CB 1.024 30.573 29.762 -0.356 0.000 1.875 942 H HN 0.086 nan 8.280 nan 0.000 0.568 943 G N 0.513 109.039 108.800 -0.457 0.000 2.451 943 G HA2 -0.123 3.838 3.960 0.002 0.000 0.208 943 G HA3 -0.123 3.838 3.960 0.002 0.000 0.208 943 G C -0.997 173.928 174.900 0.041 0.000 1.248 943 G CA -0.211 44.841 45.100 -0.080 0.000 0.989 943 G HN 0.860 nan 8.290 nan 0.000 0.559 944 R N 0.242 120.910 120.500 0.279 0.000 2.562 944 R HA 0.718 5.059 4.340 0.002 0.000 0.298 944 R C -0.137 176.511 176.300 0.581 0.000 0.961 944 R CA 0.016 56.360 56.100 0.407 0.000 0.881 944 R CB 1.452 31.912 30.300 0.267 0.000 1.159 944 R HN 1.578 nan 8.270 nan 0.000 0.450 945 A N 4.244 127.360 122.820 0.493 0.000 2.342 945 A HA 0.487 4.808 4.320 0.002 0.000 0.323 945 A C -1.465 176.143 177.584 0.040 0.000 1.125 945 A CA -0.751 51.452 52.037 0.276 0.000 0.785 945 A CB 1.372 20.485 19.000 0.189 0.000 1.221 945 A HN 0.611 nan 8.150 nan 0.000 0.463 946 L N 2.758 123.789 121.223 -0.320 0.000 2.272 946 L HA 0.701 5.042 4.340 0.002 0.000 0.289 946 L C -1.504 175.159 176.870 -0.346 0.000 1.032 946 L CA -0.289 54.239 54.840 -0.520 0.000 0.810 946 L CB 0.934 42.301 42.059 -1.153 0.000 1.205 946 L HN 0.500 nan 8.230 nan 0.000 0.422 947 L N 4.719 125.815 121.223 -0.212 0.000 2.305 947 L HA 0.634 4.975 4.340 0.002 0.000 0.284 947 L C -0.022 176.771 176.870 -0.130 0.000 1.013 947 L CA 0.126 54.871 54.840 -0.159 0.000 0.819 947 L CB 1.603 43.606 42.059 -0.094 0.000 1.227 947 L HN 0.681 nan 8.230 nan 0.000 0.417 948 S N 2.798 118.423 115.700 -0.126 0.000 2.385 948 S HA 0.609 5.080 4.470 0.002 0.000 0.191 948 S C -0.853 173.704 174.600 -0.071 0.000 1.196 948 S CA -0.526 57.621 58.200 -0.089 0.000 1.178 948 S CB 0.425 63.562 63.200 -0.106 0.000 1.258 948 S HN 0.410 nan 8.310 nan 0.000 0.430 949 V N 2.806 122.693 119.914 -0.046 0.000 2.919 949 V HA 0.783 4.904 4.120 0.002 0.000 0.316 949 V C 0.004 176.089 176.094 -0.016 0.000 1.077 949 V CA -1.404 60.878 62.300 -0.030 0.000 0.977 949 V CB 1.586 33.397 31.823 -0.020 0.000 1.039 949 V HN 0.837 nan 8.190 nan 0.000 0.441 950 R N 0.596 121.089 120.500 -0.012 0.000 2.615 950 R HA 0.395 4.736 4.340 0.002 0.000 0.270 950 R C 0.897 177.196 176.300 -0.001 0.000 1.081 950 R CA -0.140 55.952 56.100 -0.014 0.000 1.154 950 R CB 0.579 30.864 30.300 -0.024 0.000 1.063 950 R HN 0.807 nan 8.270 nan 0.000 0.519 951 E N 1.817 122.014 120.200 -0.006 0.000 2.095 951 E HA -0.218 4.133 4.350 0.002 0.000 0.212 951 E C 1.918 178.528 176.600 0.016 0.000 1.044 951 E CA 2.673 59.075 56.400 0.003 0.000 0.857 951 E CB -0.877 28.819 29.700 -0.007 0.000 0.764 951 E HN 0.909 nan 8.360 nan 0.000 0.462 952 G N -0.464 108.347 108.800 0.018 0.000 2.470 952 G HA2 -0.221 3.740 3.960 0.002 0.000 0.220 952 G HA3 -0.221 3.740 3.960 0.002 0.000 0.220 952 G C 1.060 175.987 174.900 0.045 0.000 1.121 952 G CA 0.999 46.121 45.100 0.036 0.000 0.766 952 G HN 0.233 nan 8.290 nan 0.000 0.553 953 D N -0.262 120.163 120.400 0.042 0.000 2.360 953 D HA 0.089 4.730 4.640 0.002 0.000 0.210 953 D C 2.185 178.515 176.300 0.050 0.000 1.047 953 D CA 0.139 54.173 54.000 0.056 0.000 0.854 953 D CB 0.150 40.981 40.800 0.052 0.000 0.936 953 D HN 0.214 nan 8.370 nan 0.000 0.514 954 K N 0.671 121.092 120.400 0.035 0.000 2.160 954 K HA -0.149 4.172 4.320 0.002 0.000 0.206 954 K C 1.865 178.487 176.600 0.038 0.000 1.047 954 K CA 0.915 57.220 56.287 0.030 0.000 0.930 954 K CB 0.232 32.745 32.500 0.022 0.000 0.720 954 K HN 0.132 nan 8.250 nan 0.000 0.450 955 E N 0.218 120.445 120.200 0.045 0.000 2.051 955 E HA -0.104 4.247 4.350 0.002 0.000 0.189 955 E C 1.938 178.581 176.600 0.071 0.000 0.979 955 E CA 0.834 57.263 56.400 0.047 0.000 0.803 955 E CB 0.202 29.925 29.700 0.037 0.000 0.761 955 E HN 0.186 nan 8.360 nan 0.000 0.451 956 R N 0.176 120.737 120.500 0.101 0.000 2.189 956 R HA -0.031 4.310 4.340 0.002 0.000 0.218 956 R C 2.335 178.780 176.300 0.242 0.000 1.074 956 R CA 0.231 56.438 56.100 0.178 0.000 0.991 956 R CB -0.055 30.385 30.300 0.233 0.000 0.883 956 R HN 0.059 nan 8.270 nan 0.000 0.457 957 V N 0.564 120.558 119.914 0.133 0.000 2.392 957 V HA -0.255 3.866 4.120 0.002 0.000 0.249 957 V C 2.029 178.155 176.094 0.053 0.000 1.059 957 V CA 1.782 64.119 62.300 0.061 0.000 1.051 957 V CB -0.078 31.755 31.823 0.017 0.000 0.658 957 V HN 0.118 nan 8.190 nan 0.000 0.455 958 V N 0.350 120.306 119.914 0.070 0.000 2.252 958 V HA -0.308 3.813 4.120 0.002 0.000 0.249 958 V C 2.406 178.550 176.094 0.083 0.000 1.056 958 V CA 2.644 64.980 62.300 0.060 0.000 1.022 958 V CB -0.934 30.920 31.823 0.051 0.000 0.641 958 V HN 0.693 nan 8.190 nan 0.000 0.445 959 D N -0.512 119.976 120.400 0.146 0.000 2.178 959 D HA -0.157 4.484 4.640 0.002 0.000 0.201 959 D C 1.860 178.283 176.300 0.204 0.000 0.980 959 D CA 0.934 55.050 54.000 0.193 0.000 0.842 959 D CB -0.121 40.830 40.800 0.252 0.000 0.948 959 D HN 0.297 nan 8.370 nan 0.000 0.472 960 L N 0.493 121.789 121.223 0.123 0.000 2.027 960 L HA 0.075 4.416 4.340 0.002 0.000 0.206 960 L C 2.237 179.061 176.870 -0.078 0.000 1.074 960 L CA 2.029 56.773 54.840 -0.160 0.000 0.745 960 L CB -1.210 40.571 42.059 -0.463 0.000 0.898 960 L HN 0.044 nan 8.230 nan 0.000 0.433 961 A N -0.465 122.336 122.820 -0.031 0.000 1.908 961 A HA -0.183 4.138 4.320 0.002 0.000 0.218 961 A C 2.446 180.046 177.584 0.026 0.000 1.181 961 A CA 2.107 54.142 52.037 -0.003 0.000 0.627 961 A CB -1.194 17.811 19.000 0.009 0.000 0.818 961 A HN 0.585 nan 8.150 nan 0.000 0.445 962 A N -0.262 122.583 122.820 0.042 0.000 1.858 962 A HA -0.189 4.132 4.320 0.002 0.000 0.216 962 A C 2.107 179.726 177.584 0.057 0.000 1.190 962 A CA 1.972 54.042 52.037 0.054 0.000 0.617 962 A CB -0.528 18.509 19.000 0.062 0.000 0.827 962 A HN 0.527 nan 8.150 nan 0.000 0.443 963 K N -0.452 119.982 120.400 0.056 0.000 2.074 963 K HA -0.107 4.214 4.320 0.002 0.000 0.209 963 K C 1.843 178.465 176.600 0.036 0.000 1.048 963 K CA 1.568 57.886 56.287 0.051 0.000 0.926 963 K CB -0.409 32.121 32.500 0.050 0.000 0.713 963 K HN 0.499 nan 8.250 nan 0.000 0.444 964 L N 0.582 121.808 121.223 0.004 0.000 2.056 964 L HA -0.178 4.163 4.340 0.002 0.000 0.207 964 L C 2.283 179.254 176.870 0.169 0.000 1.078 964 L CA 0.952 55.798 54.840 0.011 0.000 0.749 964 L CB -0.439 41.575 42.059 -0.074 0.000 0.901 964 L HN 0.176 nan 8.230 nan 0.000 0.433 965 L N -0.145 121.152 121.223 0.123 0.000 1.989 965 L HA -0.285 4.056 4.340 0.002 0.000 0.211 965 L C 2.787 179.728 176.870 0.117 0.000 1.071 965 L CA 1.539 56.454 54.840 0.125 0.000 0.749 965 L CB -0.555 41.554 42.059 0.084 0.000 0.890 965 L HN 0.273 nan 8.230 nan 0.000 0.431 966 K N -0.226 120.231 120.400 0.094 0.000 2.074 966 K HA -0.281 4.040 4.320 0.002 0.000 0.209 966 K C 2.071 178.730 176.600 0.099 0.000 1.048 966 K CA 1.678 58.014 56.287 0.082 0.000 0.926 966 K CB -0.014 32.527 32.500 0.068 0.000 0.713 966 K HN 0.127 nan 8.250 nan 0.000 0.444 967 Q N -0.916 118.971 119.800 0.146 0.000 2.515 967 Q HA -0.009 4.332 4.340 0.002 0.000 0.212 967 Q C 0.769 176.875 176.000 0.176 0.000 0.970 967 Q CA 1.030 56.947 55.803 0.189 0.000 0.941 967 Q CB 0.265 29.171 28.738 0.279 0.000 0.998 967 Q HN 0.591 nan 8.270 nan 0.000 0.518 968 G N -1.707 107.184 108.800 0.151 0.000 2.176 968 G HA2 -0.272 3.689 3.960 0.002 0.000 0.232 968 G HA3 -0.272 3.689 3.960 0.002 0.000 0.232 968 G C -0.050 174.880 174.900 0.050 0.000 0.986 968 G CA -0.123 45.018 45.100 0.068 0.000 0.643 968 G HN 0.274 nan 8.290 nan 0.000 0.522 969 F N 1.491 121.478 119.950 0.062 0.000 2.450 969 F HA 0.531 5.059 4.527 0.001 0.000 0.339 969 F C 1.211 177.058 175.800 0.079 0.000 1.146 969 F CA 0.269 58.317 58.000 0.080 0.000 1.267 969 F CB 0.599 39.646 39.000 0.080 0.000 1.178 969 F HN 0.147 nan 8.300 nan 0.000 0.585 970 E N 1.410 121.769 120.200 0.265 0.000 2.254 970 E HA 0.624 4.975 4.350 0.002 0.000 0.261 970 E C -1.170 175.569 176.600 0.232 0.000 1.051 970 E CA -0.734 55.781 56.400 0.192 0.000 0.902 970 E CB 1.354 31.128 29.700 0.125 0.000 1.168 970 E HN 0.364 nan 8.360 nan 0.000 0.423 971 L N 1.275 122.596 121.223 0.165 0.000 2.401 971 L HA 0.511 4.852 4.340 0.002 0.000 0.266 971 L C -0.984 175.964 176.870 0.129 0.000 0.991 971 L CA -0.945 53.983 54.840 0.147 0.000 0.818 971 L CB 1.914 44.030 42.059 0.095 0.000 1.321 971 L HN 0.437 nan 8.230 nan 0.000 0.413 972 D N 1.106 121.585 120.400 0.131 0.000 2.374 972 D HA 0.887 5.528 4.640 0.002 0.000 0.239 972 D C -0.898 175.415 176.300 0.021 0.000 0.991 972 D CA -0.141 53.929 54.000 0.117 0.000 0.960 972 D CB 2.444 43.395 40.800 0.251 0.000 1.284 972 D HN 0.733 nan 8.370 nan 0.000 0.512 973 A N -0.010 122.817 122.820 0.011 0.000 2.594 973 A HA 0.585 4.906 4.320 0.002 0.000 0.296 973 A C -0.455 177.122 177.584 -0.011 0.000 1.056 973 A CA -0.862 51.161 52.037 -0.024 0.000 0.693 973 A CB 0.647 19.631 19.000 -0.027 0.000 1.278 973 A HN 0.456 nan 8.150 nan 0.000 0.408 974 T N -0.815 113.729 114.554 -0.015 0.000 2.849 974 T HA 0.404 4.755 4.350 0.002 0.000 0.284 974 T C 1.180 175.906 174.700 0.043 0.000 1.004 974 T CA 0.741 62.852 62.100 0.019 0.000 1.021 974 T CB 0.546 69.424 68.868 0.016 0.000 1.013 974 T HN 0.935 nan 8.240 nan 0.000 0.527 975 H N 1.924 120.984 119.070 -0.015 0.000 2.315 975 H HA -0.242 4.315 4.556 0.001 0.000 0.284 975 H C 2.377 177.703 175.328 -0.004 0.000 1.102 975 H CA 3.020 59.064 56.048 -0.007 0.000 1.159 975 H CB -0.932 28.828 29.762 -0.005 0.000 1.382 975 H HN 0.821 nan 8.280 nan 0.000 0.542 976 G N -1.928 107.008 108.800 0.226 0.000 2.440 976 G HA2 -0.284 3.677 3.960 0.002 0.000 0.218 976 G HA3 -0.284 3.677 3.960 0.002 0.000 0.218 976 G C 1.742 176.657 174.900 0.025 0.000 1.154 976 G CA 1.374 46.555 45.100 0.134 0.000 0.767 976 G HN 0.527 nan 8.290 nan 0.000 0.552 977 T N 1.553 116.114 114.554 0.012 0.000 2.821 977 T HA 0.077 4.428 4.350 0.002 0.000 0.267 977 T C 2.818 177.500 174.700 -0.030 0.000 1.046 977 T CA 1.349 63.443 62.100 -0.010 0.000 1.139 977 T CB -0.324 68.533 68.868 -0.018 0.000 0.871 977 T HN 0.378 nan 8.240 nan 0.000 0.454 978 A N 1.885 124.672 122.820 -0.055 0.000 1.883 978 A HA -0.070 4.251 4.320 0.002 0.000 0.217 978 A C 2.247 179.780 177.584 -0.086 0.000 1.186 978 A CA 1.112 53.104 52.037 -0.075 0.000 0.624 978 A CB -0.743 18.192 19.000 -0.108 0.000 0.822 978 A HN 0.377 nan 8.150 nan 0.000 0.444 979 I N -0.125 120.369 120.570 -0.126 0.000 2.118 979 I HA -0.237 3.934 4.170 0.002 0.000 0.241 979 I C 2.526 178.617 176.117 -0.043 0.000 1.070 979 I CA 1.563 62.802 61.300 -0.102 0.000 1.327 979 I CB -1.287 36.657 38.000 -0.094 0.000 1.034 979 I HN 0.162 nan 8.210 nan 0.000 0.405 980 V N 0.788 120.687 119.914 -0.024 0.000 2.407 980 V HA -0.241 3.880 4.120 0.002 0.000 0.248 980 V C 2.569 178.660 176.094 -0.004 0.000 1.055 980 V CA 1.276 63.572 62.300 -0.006 0.000 1.049 980 V CB -0.374 31.451 31.823 0.004 0.000 0.662 980 V HN 0.330 nan 8.190 nan 0.000 0.455 981 L N -0.007 121.210 121.223 -0.011 0.000 1.994 981 L HA -0.085 4.256 4.340 0.002 0.000 0.208 981 L C 2.683 179.551 176.870 -0.005 0.000 1.071 981 L CA 1.841 56.679 54.840 -0.004 0.000 0.745 981 L CB -1.253 40.801 42.059 -0.007 0.000 0.892 981 L HN 0.461 nan 8.230 nan 0.000 0.431 982 G N -0.370 108.420 108.800 -0.017 0.000 2.491 982 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 982 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 982 G C 1.347 176.243 174.900 -0.007 0.000 1.180 982 G CA 0.758 45.849 45.100 -0.016 0.000 0.774 982 G HN 0.422 nan 8.290 nan 0.000 0.562 983 E N 0.416 120.611 120.200 -0.007 0.000 2.331 983 E HA -0.027 4.324 4.350 0.002 0.000 0.199 983 E C 2.457 179.060 176.600 0.005 0.000 1.008 983 E CA 0.595 56.995 56.400 -0.001 0.000 0.843 983 E CB -0.081 29.619 29.700 0.000 0.000 0.761 983 E HN 0.476 nan 8.360 nan 0.000 0.507 984 A N -0.452 122.372 122.820 0.007 0.000 2.348 984 A HA 0.378 4.699 4.320 0.002 0.000 0.224 984 A C 1.577 179.169 177.584 0.013 0.000 1.227 984 A CA 0.659 52.703 52.037 0.012 0.000 0.885 984 A CB 0.435 19.445 19.000 0.017 0.000 0.933 984 A HN 0.283 nan 8.150 nan 0.000 0.506 985 G N -0.792 108.014 108.800 0.010 0.000 2.179 985 G HA2 -0.165 3.796 3.960 0.002 0.000 0.220 985 G HA3 -0.165 3.796 3.960 0.002 0.000 0.220 985 G C 0.014 174.923 174.900 0.014 0.000 0.990 985 G CA 0.058 45.165 45.100 0.012 0.000 0.646 985 G HN 0.417 nan 8.290 nan 0.000 0.517 986 I N 1.505 122.083 120.570 0.013 0.000 2.321 986 I HA 0.284 4.455 4.170 0.002 0.000 0.291 986 I C -0.067 176.056 176.117 0.010 0.000 0.998 986 I CA -0.456 60.854 61.300 0.016 0.000 1.227 986 I CB 1.266 39.278 38.000 0.021 0.000 1.368 986 I HN 0.060 nan 8.210 nan 0.000 0.466 987 N N 8.515 127.223 118.700 0.013 0.000 2.817 987 N HA 0.290 5.030 4.740 0.002 0.000 0.234 987 N C -2.309 173.209 175.510 0.015 0.000 1.066 987 N CA -1.296 51.759 53.050 0.007 0.000 0.926 987 N CB 0.955 39.446 38.487 0.007 0.000 1.176 987 N HN 0.412 nan 8.380 nan 0.000 0.506 988 P HA 0.087 nan 4.420 nan 0.000 0.275 988 P C -0.516 176.798 177.300 0.023 0.000 1.266 988 P CA -0.401 62.714 63.100 0.025 0.000 0.793 988 P CB 1.229 32.939 31.700 0.018 0.000 1.074 989 R N 0.844 121.369 120.500 0.042 0.000 2.265 989 R HA 0.305 4.646 4.340 0.002 0.000 0.314 989 R C -0.214 176.109 176.300 0.039 0.000 1.053 989 R CA -0.738 55.386 56.100 0.040 0.000 0.931 989 R CB 0.005 30.338 30.300 0.055 0.000 1.024 989 R HN 0.374 nan 8.270 nan 0.000 0.457 990 L N 4.948 126.184 121.223 0.023 0.000 2.426 990 L HA 0.256 4.597 4.340 0.002 0.000 0.271 990 L C -0.826 176.068 176.870 0.040 0.000 1.169 990 L CA 0.354 55.207 54.840 0.021 0.000 0.836 990 L CB 1.462 43.524 42.059 0.006 0.000 1.112 990 L HN 0.454 nan 8.230 nan 0.000 0.465 991 V N 5.776 125.718 119.914 0.047 0.000 2.709 991 V HA 0.472 4.593 4.120 0.002 0.000 0.308 991 V C -0.288 175.833 176.094 0.044 0.000 1.062 991 V CA -0.707 61.629 62.300 0.060 0.000 0.901 991 V CB 2.177 34.064 31.823 0.106 0.000 1.003 991 V HN 0.978 nan 8.190 nan 0.000 0.425 992 N N 3.788 122.512 118.700 0.041 0.000 2.483 992 N HA 0.362 5.103 4.740 0.002 0.000 0.269 992 N C -0.722 174.782 175.510 -0.011 0.000 1.209 992 N CA -0.526 52.531 53.050 0.012 0.000 0.969 992 N CB 0.926 39.423 38.487 0.015 0.000 1.173 992 N HN 0.588 nan 8.380 nan 0.000 0.475 993 K N 0.626 120.942 120.400 -0.140 0.000 2.185 993 K HA 0.125 4.446 4.320 0.002 0.000 0.271 993 K C 0.890 177.324 176.600 -0.277 0.000 1.013 993 K CA -0.496 55.647 56.287 -0.239 0.000 0.943 993 K CB 1.103 33.336 32.500 -0.444 0.000 0.998 993 K HN 0.244 nan 8.250 nan 0.000 0.468 994 V N 2.148 121.932 119.914 -0.218 0.000 2.277 994 V HA -0.327 3.794 4.120 0.002 0.000 0.255 994 V C 1.944 177.926 176.094 -0.187 0.000 1.074 994 V CA 2.477 64.576 62.300 -0.334 0.000 1.058 994 V CB -1.015 30.620 31.823 -0.313 0.000 0.656 994 V HN 0.884 nan 8.190 nan 0.000 0.449 995 H N -1.161 117.861 119.070 -0.080 0.000 2.551 995 H HA 0.114 4.671 4.556 0.001 0.000 0.266 995 H C 1.810 177.134 175.328 -0.006 0.000 0.977 995 H CA 1.045 57.068 56.048 -0.041 0.000 1.163 995 H CB -0.318 29.418 29.762 -0.044 0.000 1.381 995 H HN 0.485 nan 8.280 nan 0.000 0.581 996 E N 0.428 120.398 120.200 -0.384 0.000 2.435 996 E HA 0.231 4.582 4.350 0.002 0.000 0.195 996 E C 0.636 177.215 176.600 -0.035 0.000 1.029 996 E CA 0.334 56.621 56.400 -0.189 0.000 0.865 996 E CB 0.368 29.918 29.700 -0.250 0.000 0.833 996 E HN 0.691 nan 8.360 nan 0.000 0.510 997 G N 0.568 109.376 108.800 0.013 0.000 2.298 997 G HA2 -0.076 3.885 3.960 0.002 0.000 0.309 997 G HA3 -0.076 3.885 3.960 0.002 0.000 0.309 997 G C -1.205 173.775 174.900 0.133 0.000 1.279 997 G CA -0.993 44.149 45.100 0.069 0.000 1.042 997 G HN 0.039 nan 8.290 nan 0.000 0.480 998 R N 0.634 121.165 120.500 0.052 0.000 2.711 998 R HA 0.678 5.019 4.340 0.002 0.000 0.284 998 R C -2.279 173.989 176.300 -0.053 0.000 0.968 998 R CA -1.456 54.607 56.100 -0.061 0.000 0.924 998 R CB 1.777 32.011 30.300 -0.111 0.000 1.162 998 R HN 0.531 nan 8.270 nan 0.000 0.465 999 P HA 0.146 nan 4.420 nan 0.000 0.286 999 P C -1.234 176.010 177.300 -0.092 0.000 1.269 999 P CA -0.177 62.830 63.100 -0.155 0.000 0.787 999 P CB 0.737 32.378 31.700 -0.099 0.000 0.920 1000 H N 1.148 120.212 119.070 -0.010 0.000 2.693 1000 H HA 0.318 4.875 4.556 0.001 0.000 0.348 1000 H C 1.188 176.530 175.328 0.023 0.000 1.222 1000 H CA -0.951 55.092 56.048 -0.008 0.000 1.270 1000 H CB 1.102 30.846 29.762 -0.029 0.000 1.798 1000 H HN 0.262 nan 8.280 nan 0.000 0.592 1001 I N -1.682 119.042 120.570 0.257 0.000 2.208 1001 I HA -0.290 3.881 4.170 0.002 0.000 0.245 1001 I C 2.441 178.699 176.117 0.235 0.000 1.097 1001 I CA 1.436 62.860 61.300 0.207 0.000 1.363 1001 I CB -0.542 37.502 38.000 0.073 0.000 1.051 1001 I HN 0.506 nan 8.210 nan 0.000 0.413 1002 Q N 1.231 121.208 119.800 0.296 0.000 2.084 1002 Q HA -0.246 4.095 4.340 0.002 0.000 0.202 1002 Q C 1.823 177.953 176.000 0.216 0.000 0.978 1002 Q CA 2.198 58.146 55.803 0.241 0.000 0.844 1002 Q CB -0.337 28.469 28.738 0.112 0.000 0.898 1002 Q HN 0.623 nan 8.270 nan 0.000 0.426 1003 D N 0.028 120.594 120.400 0.278 0.000 2.084 1003 D HA -0.126 4.515 4.640 0.002 0.000 0.194 1003 D C 2.116 178.365 176.300 -0.085 0.000 0.990 1003 D CA 0.987 54.954 54.000 -0.054 0.000 0.826 1003 D CB -0.079 40.506 40.800 -0.359 0.000 0.971 1003 D HN 0.251 nan 8.370 nan 0.000 0.453 1004 R N 0.246 120.722 120.500 -0.039 0.000 2.091 1004 R HA -0.086 4.255 4.340 0.002 0.000 0.238 1004 R C 2.617 178.825 176.300 -0.153 0.000 1.136 1004 R CA 0.708 56.737 56.100 -0.118 0.000 0.959 1004 R CB -0.391 29.879 30.300 -0.050 0.000 0.856 1004 R HN 0.258 nan 8.270 nan 0.000 0.437 1005 I N 1.138 121.753 120.570 0.075 0.000 2.142 1005 I HA -0.326 3.845 4.170 0.002 0.000 0.240 1005 I C 2.675 178.649 176.117 -0.239 0.000 1.078 1005 I CA 1.437 62.798 61.300 0.101 0.000 1.343 1005 I CB -0.272 37.830 38.000 0.170 0.000 1.046 1005 I HN 0.146 nan 8.210 nan 0.000 0.405 1006 K N 1.343 121.483 120.400 -0.434 0.000 2.152 1006 K HA -0.205 4.116 4.320 0.002 0.000 0.206 1006 K C 1.322 177.569 176.600 -0.587 0.000 1.048 1006 K CA 2.107 57.810 56.287 -0.974 0.000 0.933 1006 K CB -0.242 31.908 32.500 -0.583 0.000 0.721 1006 K HN 0.419 nan 8.250 nan 0.000 0.447 1007 N N -0.567 117.942 118.700 -0.319 0.000 2.398 1007 N HA 0.080 4.821 4.740 0.002 0.000 0.188 1007 N C 0.208 175.610 175.510 -0.180 0.000 1.122 1007 N CA 0.385 53.306 53.050 -0.215 0.000 0.866 1007 N CB 0.744 39.131 38.487 -0.167 0.000 0.970 1007 N HN 0.424 nan 8.380 nan 0.000 0.462 1008 G N 1.065 109.750 108.800 -0.192 0.000 2.160 1008 G HA2 -0.264 3.697 3.960 0.002 0.000 0.244 1008 G HA3 -0.264 3.697 3.960 0.002 0.000 0.244 1008 G C 0.732 175.536 174.900 -0.160 0.000 1.022 1008 G CA -0.018 45.015 45.100 -0.112 0.000 0.741 1008 G HN 0.322 nan 8.290 nan 0.000 0.508 1009 E N -1.230 118.765 120.200 -0.343 0.000 2.152 1009 E HA -0.000 4.351 4.350 0.002 0.000 0.192 1009 E C 0.482 176.792 176.600 -0.484 0.000 0.983 1009 E CA 0.956 57.049 56.400 -0.511 0.000 0.818 1009 E CB 0.107 29.300 29.700 -0.844 0.000 0.758 1009 E HN 0.687 nan 8.360 nan 0.000 0.467 1010 Y N -0.010 120.325 120.300 0.059 0.000 2.457 1010 Y HA 0.182 4.732 4.550 0.001 0.000 0.333 1010 Y C 1.547 177.534 175.900 0.145 0.000 1.119 1010 Y CA -0.489 57.675 58.100 0.106 0.000 1.143 1010 Y CB 1.424 39.930 38.460 0.077 0.000 1.230 1010 Y HN -0.173 nan 8.280 nan 0.000 0.469 1011 T N -2.944 111.856 114.554 0.410 0.000 3.004 1011 T HA 0.246 4.597 4.350 0.002 0.000 0.266 1011 T C -0.747 174.230 174.700 0.463 0.000 0.986 1011 T CA -0.018 62.287 62.100 0.341 0.000 0.902 1011 T CB -0.150 68.844 68.868 0.209 0.000 1.118 1011 T HN 0.491 nan 8.240 nan 0.000 0.522 1012 Y N 0.208 120.672 120.300 0.274 0.000 2.581 1012 Y HA 0.685 5.236 4.550 0.002 0.000 0.337 1012 Y C -2.394 173.536 175.900 0.050 0.000 1.108 1012 Y CA -2.616 55.575 58.100 0.152 0.000 1.033 1012 Y CB 1.537 40.002 38.460 0.008 0.000 1.318 1012 Y HN 0.147 nan 8.280 nan 0.000 0.459 1013 I N 6.186 126.241 120.570 -0.858 0.000 2.534 1013 I HA 0.415 4.586 4.170 0.002 0.000 0.288 1013 I C -1.555 173.989 176.117 -0.956 0.000 1.077 1013 I CA -0.850 60.002 61.300 -0.748 0.000 1.051 1013 I CB 2.151 39.931 38.000 -0.367 0.000 1.234 1013 I HN 0.525 nan 8.210 nan 0.000 0.425 1014 I N 7.356 127.513 120.570 -0.689 0.000 2.382 1014 I HA 0.430 4.601 4.170 0.002 0.000 0.285 1014 I C -1.044 174.928 176.117 -0.241 0.000 1.007 1014 I CA 0.064 61.106 61.300 -0.430 0.000 1.142 1014 I CB 0.973 38.797 38.000 -0.293 0.000 1.289 1014 I HN 0.600 nan 8.210 nan 0.000 0.453 1015 N N 5.497 124.105 118.700 -0.152 0.000 2.480 1015 N HA 0.450 5.191 4.740 0.002 0.000 0.289 1015 N C -1.373 174.108 175.510 -0.047 0.000 1.073 1015 N CA -0.301 52.685 53.050 -0.107 0.000 0.885 1015 N CB 1.469 39.880 38.487 -0.127 0.000 1.421 1015 N HN 0.653 nan 8.380 nan 0.000 0.503 1016 T N 0.217 114.749 114.554 -0.036 0.000 2.912 1016 T HA 0.686 5.037 4.350 0.002 0.000 0.288 1016 T C -0.461 174.228 174.700 -0.019 0.000 1.030 1016 T CA -0.452 61.644 62.100 -0.006 0.000 1.020 1016 T CB 1.973 70.850 68.868 0.016 0.000 1.056 1016 T HN 0.300 nan 8.240 nan 0.000 0.480 1017 T N 1.218 115.764 114.554 -0.014 0.000 3.012 1017 T HA 0.603 4.954 4.350 0.002 0.000 0.330 1017 T C -1.051 173.623 174.700 -0.043 0.000 1.321 1017 T CA -0.715 61.364 62.100 -0.036 0.000 1.067 1017 T CB 1.906 70.749 68.868 -0.042 0.000 1.235 1017 T HN 0.716 nan 8.240 nan 0.000 0.479 1018 S N 0.858 116.499 115.700 -0.097 0.000 2.526 1018 S HA 0.850 5.321 4.470 0.002 0.000 0.293 1018 S C -0.067 174.368 174.600 -0.275 0.000 1.092 1018 S CA 0.386 58.477 58.200 -0.182 0.000 0.980 1018 S CB 1.323 64.355 63.200 -0.279 0.000 1.048 1018 S HN 1.585 nan 8.310 nan 0.000 0.483 1019 G N 2.851 111.498 108.800 -0.255 0.000 3.039 1019 G HA2 -0.132 3.829 3.960 0.002 0.000 0.686 1019 G HA3 -0.132 3.829 3.960 0.002 0.000 0.686 1019 G C 0.142 175.019 174.900 -0.037 0.000 1.066 1019 G CA 0.005 45.010 45.100 -0.158 0.000 0.774 1019 G HN 0.738 nan 8.290 nan 0.000 0.591 1020 R N 1.424 121.941 120.500 0.028 0.000 2.159 1020 R HA -0.200 4.141 4.340 0.002 0.000 0.249 1020 R C 2.647 178.947 176.300 0.000 0.000 1.136 1020 R CA 2.957 59.071 56.100 0.024 0.000 0.951 1020 R CB -0.396 29.936 30.300 0.053 0.000 0.876 1020 R HN 0.698 nan 8.270 nan 0.000 0.440 1021 R N -0.892 119.604 120.500 -0.006 0.000 2.066 1021 R HA -0.030 4.311 4.340 0.002 0.000 0.232 1021 R C 2.136 178.415 176.300 -0.036 0.000 1.131 1021 R CA 1.544 57.633 56.100 -0.020 0.000 0.955 1021 R CB -0.419 29.870 30.300 -0.020 0.000 0.851 1021 R HN 0.360 nan 8.270 nan 0.000 0.432 1022 A N 0.795 123.586 122.820 -0.048 0.000 1.908 1022 A HA -0.173 4.148 4.320 0.002 0.000 0.218 1022 A C 2.142 179.697 177.584 -0.048 0.000 1.181 1022 A CA 1.525 53.528 52.037 -0.056 0.000 0.627 1022 A CB -0.586 18.368 19.000 -0.078 0.000 0.818 1022 A HN 0.355 nan 8.150 nan 0.000 0.445 1023 I N -0.730 119.814 120.570 -0.043 0.000 2.113 1023 I HA -0.273 3.898 4.170 0.002 0.000 0.238 1023 I C 2.561 178.655 176.117 -0.038 0.000 1.070 1023 I CA 1.775 63.052 61.300 -0.038 0.000 1.332 1023 I CB -0.566 37.418 38.000 -0.026 0.000 1.044 1023 I HN 0.432 nan 8.210 nan 0.000 0.402 1024 E N 0.676 120.858 120.200 -0.030 0.000 2.147 1024 E HA -0.274 4.077 4.350 0.002 0.000 0.199 1024 E C 1.663 178.241 176.600 -0.036 0.000 1.005 1024 E CA 1.632 58.015 56.400 -0.029 0.000 0.810 1024 E CB -0.074 29.614 29.700 -0.020 0.000 0.736 1024 E HN 0.486 nan 8.360 nan 0.000 0.460 1025 D N -0.494 119.882 120.400 -0.040 0.000 2.149 1025 D HA -0.076 4.565 4.640 0.002 0.000 0.201 1025 D C 1.996 178.277 176.300 -0.032 0.000 0.972 1025 D CA 1.245 55.219 54.000 -0.042 0.000 0.835 1025 D CB -0.126 40.641 40.800 -0.056 0.000 0.966 1025 D HN 0.131 nan 8.370 nan 0.000 0.476 1026 S N 0.197 115.874 115.700 -0.038 0.000 2.558 1026 S HA 0.005 4.476 4.470 0.002 0.000 0.217 1026 S C 1.742 176.303 174.600 -0.064 0.000 0.975 1026 S CA -0.191 57.983 58.200 -0.043 0.000 0.912 1026 S CB 0.180 63.351 63.200 -0.048 0.000 0.776 1026 S HN 0.137 nan 8.310 nan 0.000 0.526 1027 R N 1.377 121.839 120.500 -0.063 0.000 2.208 1027 R HA -0.196 4.145 4.340 0.002 0.000 0.262 1027 R C 2.016 178.262 176.300 -0.089 0.000 1.166 1027 R CA 1.948 58.001 56.100 -0.077 0.000 0.987 1027 R CB -0.956 29.309 30.300 -0.057 0.000 0.887 1027 R HN 0.388 nan 8.270 nan 0.000 0.459 1028 V N 1.020 120.891 119.914 -0.071 0.000 2.490 1028 V HA -0.203 3.918 4.120 0.002 0.000 0.250 1028 V C 2.153 178.197 176.094 -0.082 0.000 1.061 1028 V CA 2.087 64.348 62.300 -0.066 0.000 1.064 1028 V CB -0.323 31.464 31.823 -0.060 0.000 0.670 1028 V HN 0.527 nan 8.190 nan 0.000 0.461 1029 I N -0.407 120.100 120.570 -0.105 0.000 2.315 1029 I HA -0.222 3.949 4.170 0.002 0.000 0.248 1029 I C 2.667 178.647 176.117 -0.229 0.000 1.117 1029 I CA 1.624 62.843 61.300 -0.134 0.000 1.404 1029 I CB -0.183 37.738 38.000 -0.133 0.000 1.071 1029 I HN 0.280 nan 8.210 nan 0.000 0.419 1030 R N 0.206 120.541 120.500 -0.275 0.000 2.073 1030 R HA -0.033 4.308 4.340 0.002 0.000 0.229 1030 R C 2.422 178.486 176.300 -0.394 0.000 1.120 1030 R CA 0.991 56.811 56.100 -0.466 0.000 0.967 1030 R CB -0.258 29.820 30.300 -0.371 0.000 0.862 1030 R HN 0.360 nan 8.270 nan 0.000 0.436 1031 R N 0.189 120.561 120.500 -0.213 0.000 2.092 1031 R HA -0.022 4.319 4.340 0.002 0.000 0.231 1031 R C 2.267 178.513 176.300 -0.090 0.000 1.119 1031 R CA 1.566 57.589 56.100 -0.129 0.000 0.970 1031 R CB -0.180 30.075 30.300 -0.076 0.000 0.864 1031 R HN 0.147 nan 8.270 nan 0.000 0.440 1032 S N 1.156 116.824 115.700 -0.053 0.000 2.368 1032 S HA -0.085 4.386 4.470 0.002 0.000 0.224 1032 S C 2.179 176.853 174.600 0.123 0.000 1.029 1032 S CA 1.048 59.307 58.200 0.097 0.000 0.988 1032 S CB -0.176 63.111 63.200 0.145 0.000 0.838 1032 S HN 0.439 nan 8.310 nan 0.000 0.462 1033 A N 1.508 124.283 122.820 -0.074 0.000 1.908 1033 A HA -0.098 4.223 4.320 0.002 0.000 0.218 1033 A C 2.165 179.776 177.584 0.044 0.000 1.181 1033 A CA 1.514 53.502 52.037 -0.082 0.000 0.627 1033 A CB -0.749 17.987 19.000 -0.439 0.000 0.818 1033 A HN 0.407 nan 8.150 nan 0.000 0.445 1034 L N -0.510 120.696 121.223 -0.028 0.000 2.027 1034 L HA -0.169 4.172 4.340 0.002 0.000 0.206 1034 L C 2.681 179.577 176.870 0.043 0.000 1.074 1034 L CA 2.483 57.396 54.840 0.122 0.000 0.745 1034 L CB -0.547 41.586 42.059 0.124 0.000 0.898 1034 L HN 0.619 nan 8.230 nan 0.000 0.433 1035 Q N -1.536 118.220 119.800 -0.072 0.000 2.181 1035 Q HA -0.250 4.091 4.340 0.002 0.000 0.205 1035 Q C 1.240 177.011 176.000 -0.382 0.000 0.980 1035 Q CA 1.943 57.584 55.803 -0.269 0.000 0.862 1035 Q CB -0.168 28.304 28.738 -0.444 0.000 0.905 1035 Q HN 0.645 nan 8.270 nan 0.000 0.429 1036 Y N 0.353 120.686 120.300 0.056 0.000 2.468 1036 Y HA 0.194 4.745 4.550 0.002 0.000 0.268 1036 Y C -0.019 175.936 175.900 0.092 0.000 1.177 1036 Y CA -0.031 58.109 58.100 0.067 0.000 1.265 1036 Y CB 0.768 39.267 38.460 0.065 0.000 1.103 1036 Y HN -0.014 nan 8.280 nan 0.000 0.522 1037 K N -1.235 119.282 120.400 0.195 0.000 3.230 1037 K HA -0.149 4.172 4.320 0.002 0.000 0.285 1037 K C -0.530 176.211 176.600 0.235 0.000 1.196 1037 K CA 0.384 56.787 56.287 0.193 0.000 0.838 1037 K CB -2.557 30.034 32.500 0.152 0.000 1.262 1037 K HN 0.137 nan 8.250 nan 0.000 0.492 1038 V N 1.287 121.362 119.914 0.268 0.000 2.546 1038 V HA 0.127 4.248 4.120 0.002 0.000 0.284 1038 V C 0.853 177.149 176.094 0.338 0.000 1.050 1038 V CA -0.621 61.851 62.300 0.286 0.000 0.981 1038 V CB 1.223 33.203 31.823 0.262 0.000 0.990 1038 V HN 0.332 nan 8.190 nan 0.000 0.474 1039 H N 4.523 123.756 119.070 0.272 0.000 2.764 1039 H HA 0.402 4.959 4.556 0.002 0.000 0.341 1039 H C -0.710 174.807 175.328 0.316 0.000 1.072 1039 H CA 0.025 56.233 56.048 0.268 0.000 1.444 1039 H CB 0.324 30.235 29.762 0.248 0.000 1.458 1039 H HN 0.635 nan 8.280 nan 0.000 0.572 1040 Y N 1.416 121.231 120.300 -0.809 0.000 2.553 1040 Y HA 0.507 5.058 4.550 0.002 0.000 0.347 1040 Y C -1.558 174.040 175.900 -0.503 0.000 1.019 1040 Y CA -1.425 56.349 58.100 -0.544 0.000 1.032 1040 Y CB 1.384 39.661 38.460 -0.305 0.000 1.284 1040 Y HN 0.447 nan 8.280 nan 0.000 0.466 1041 D N 1.223 121.525 120.400 -0.163 0.000 2.498 1041 D HA 0.284 4.925 4.640 0.002 0.000 0.247 1041 D C 0.176 176.502 176.300 0.044 0.000 1.070 1041 D CA -0.370 53.616 54.000 -0.024 0.000 0.842 1041 D CB 2.168 43.054 40.800 0.144 0.000 1.361 1041 D HN 0.801 nan 8.370 nan 0.000 0.484 1042 T N -2.675 111.924 114.554 0.075 0.000 3.129 1042 T HA 0.193 4.544 4.350 0.002 0.000 0.267 1042 T C 0.490 175.239 174.700 0.081 0.000 1.018 1042 T CA -0.207 61.946 62.100 0.090 0.000 0.903 1042 T CB -0.161 68.778 68.868 0.119 0.000 1.067 1042 T HN 0.397 nan 8.240 nan 0.000 0.549 1043 T N -0.841 113.768 114.554 0.092 0.000 2.912 1043 T HA 0.597 4.948 4.350 0.002 0.000 0.299 1043 T C 0.489 175.257 174.700 0.113 0.000 1.052 1043 T CA -0.858 61.309 62.100 0.112 0.000 0.996 1043 T CB 1.708 70.662 68.868 0.143 0.000 1.070 1043 T HN -0.097 nan 8.240 nan 0.000 0.465 1044 L N 2.410 123.707 121.223 0.124 0.000 2.141 1044 L HA 0.110 4.451 4.340 0.002 0.000 0.209 1044 L C 2.152 179.187 176.870 0.275 0.000 1.094 1044 L CA 1.570 56.496 54.840 0.144 0.000 0.763 1044 L CB -1.025 41.155 42.059 0.202 0.000 0.908 1044 L HN 0.708 nan 8.230 nan 0.000 0.437 1045 N N -0.423 118.435 118.700 0.265 0.000 2.223 1045 N HA -0.120 4.621 4.740 0.002 0.000 0.185 1045 N C 1.798 177.455 175.510 0.244 0.000 1.016 1045 N CA 1.275 54.496 53.050 0.285 0.000 0.863 1045 N CB -0.593 38.022 38.487 0.214 0.000 0.983 1045 N HN 0.431 nan 8.380 nan 0.000 0.429 1046 G N -0.240 108.675 108.800 0.192 0.000 2.394 1046 G HA2 -0.120 3.841 3.960 0.002 0.000 0.214 1046 G HA3 -0.120 3.841 3.960 0.002 0.000 0.214 1046 G C 1.606 176.580 174.900 0.124 0.000 1.176 1046 G CA 0.885 46.089 45.100 0.173 0.000 0.786 1046 G HN 0.412 nan 8.290 nan 0.000 0.533 1047 G N 0.420 109.272 108.800 0.087 0.000 2.440 1047 G HA2 -0.157 3.804 3.960 0.002 0.000 0.218 1047 G HA3 -0.157 3.804 3.960 0.002 0.000 0.218 1047 G C 1.594 176.389 174.900 -0.175 0.000 1.154 1047 G CA 0.732 45.828 45.100 -0.006 0.000 0.767 1047 G HN 0.335 nan 8.290 nan 0.000 0.552 1048 F N 1.609 121.563 119.950 0.006 0.000 2.186 1048 F HA 0.132 4.660 4.527 0.002 0.000 0.299 1048 F C 2.985 178.720 175.800 -0.107 0.000 1.090 1048 F CA 0.803 58.782 58.000 -0.035 0.000 1.307 1048 F CB -0.344 38.647 39.000 -0.014 0.000 1.019 1048 F HN 0.237 nan 8.300 nan 0.000 0.489 1049 A N -0.592 122.204 122.820 -0.039 0.000 1.898 1049 A HA -0.161 4.160 4.320 0.002 0.000 0.216 1049 A C 2.249 179.515 177.584 -0.530 0.000 1.181 1049 A CA 2.184 53.953 52.037 -0.446 0.000 0.620 1049 A CB -1.301 17.070 19.000 -1.047 0.000 0.819 1049 A HN 0.319 nan 8.150 nan 0.000 0.442 1050 T N 0.360 114.753 114.554 -0.269 0.000 2.720 1050 T HA -0.086 4.265 4.350 0.002 0.000 0.268 1050 T C 2.203 176.797 174.700 -0.176 0.000 1.037 1050 T CA 1.661 63.689 62.100 -0.119 0.000 1.144 1050 T CB -0.478 68.310 68.868 -0.132 0.000 0.864 1050 T HN 0.616 nan 8.240 nan 0.000 0.444 1051 A N 1.784 124.499 122.820 -0.176 0.000 1.865 1051 A HA -0.154 4.167 4.320 0.002 0.000 0.217 1051 A C 2.350 179.904 177.584 -0.050 0.000 1.191 1051 A CA 1.982 53.939 52.037 -0.133 0.000 0.623 1051 A CB -0.776 18.172 19.000 -0.088 0.000 0.826 1051 A HN 0.507 nan 8.150 nan 0.000 0.444 1052 M N -0.405 119.190 119.600 -0.009 0.000 2.080 1052 M HA -0.185 4.296 4.480 0.002 0.000 0.260 1052 M C 2.451 178.751 176.300 0.001 0.000 1.068 1052 M CA 1.620 56.936 55.300 0.027 0.000 1.109 1052 M CB -0.633 32.027 32.600 0.101 0.000 1.342 1052 M HN 0.457 nan 8.290 nan 0.000 0.405 1053 A N 0.438 123.244 122.820 -0.023 0.000 2.076 1053 A HA -0.098 4.223 4.320 0.002 0.000 0.220 1053 A C 2.121 179.696 177.584 -0.015 0.000 1.160 1053 A CA 1.194 53.234 52.037 0.004 0.000 0.653 1053 A CB -0.949 18.121 19.000 0.117 0.000 0.801 1053 A HN 0.496 nan 8.150 nan 0.000 0.455 1054 L N -1.095 120.113 121.223 -0.024 0.000 2.362 1054 L HA -0.122 4.219 4.340 0.002 0.000 0.219 1054 L C 1.416 178.294 176.870 0.013 0.000 1.134 1054 L CA 1.038 55.876 54.840 -0.004 0.000 0.807 1054 L CB -0.362 41.701 42.059 0.007 0.000 0.927 1054 L HN 0.468 nan 8.230 nan 0.000 0.447 1055 N N -0.584 118.122 118.700 0.011 0.000 2.322 1055 N HA 0.182 4.923 4.740 0.002 0.000 0.194 1055 N C 0.024 175.538 175.510 0.006 0.000 1.126 1055 N CA -0.103 52.957 53.050 0.017 0.000 0.845 1055 N CB 0.503 39.006 38.487 0.027 0.000 0.976 1055 N HN 0.201 nan 8.380 nan 0.000 0.475 1056 A N -0.155 122.661 122.820 -0.008 0.000 2.435 1056 A HA 0.557 4.878 4.320 0.002 0.000 0.296 1056 A C -1.514 176.047 177.584 -0.038 0.000 1.147 1056 A CA -0.564 51.460 52.037 -0.020 0.000 0.775 1056 A CB 1.414 20.397 19.000 -0.028 0.000 1.340 1056 A HN 0.029 nan 8.150 nan 0.000 0.427 1057 D N 0.232 120.603 120.400 -0.049 0.000 2.421 1057 D HA 0.536 5.177 4.640 0.002 0.000 0.254 1057 D C 0.741 176.984 176.300 -0.094 0.000 1.238 1057 D CA 0.256 54.212 54.000 -0.074 0.000 0.919 1057 D CB 1.494 42.255 40.800 -0.065 0.000 1.152 1057 D HN 0.534 nan 8.370 nan 0.000 0.552 1058 A N 2.445 125.191 122.820 -0.123 0.000 2.125 1058 A HA -0.098 4.223 4.320 0.002 0.000 0.219 1058 A C 1.693 179.181 177.584 -0.160 0.000 1.156 1058 A CA 1.849 53.803 52.037 -0.140 0.000 0.671 1058 A CB -0.415 18.485 19.000 -0.166 0.000 0.794 1058 A HN 0.571 nan 8.150 nan 0.000 0.459 1059 T N -3.885 110.559 114.554 -0.184 0.000 3.086 1059 T HA 0.174 4.525 4.350 0.002 0.000 0.250 1059 T C 1.355 175.974 174.700 -0.136 0.000 1.074 1059 T CA 0.578 62.557 62.100 -0.201 0.000 0.988 1059 T CB 0.240 68.942 68.868 -0.277 0.000 0.988 1059 T HN 0.533 nan 8.240 nan 0.000 0.530 1060 E N 1.559 121.698 120.200 -0.101 0.000 2.006 1060 E HA 0.005 4.356 4.350 0.002 0.000 0.192 1060 E C 0.662 177.231 176.600 -0.051 0.000 0.993 1060 E CA 0.747 57.107 56.400 -0.066 0.000 0.808 1060 E CB 0.224 29.895 29.700 -0.048 0.000 0.764 1060 E HN 0.430 nan 8.360 nan 0.000 0.449 1061 K N 0.398 120.773 120.400 -0.042 0.000 2.316 1061 K HA 0.323 4.644 4.320 0.002 0.000 0.251 1061 K C -1.015 175.572 176.600 -0.021 0.000 0.934 1061 K CA -0.604 55.668 56.287 -0.024 0.000 0.802 1061 K CB 2.051 34.546 32.500 -0.009 0.000 1.171 1061 K HN 0.041 nan 8.250 nan 0.000 0.426 1062 V N 1.530 121.446 119.914 0.003 0.000 2.715 1062 V HA 0.710 4.831 4.120 0.002 0.000 0.310 1062 V C -0.541 175.615 176.094 0.104 0.000 1.054 1062 V CA -0.889 61.447 62.300 0.059 0.000 0.928 1062 V CB 1.605 33.457 31.823 0.049 0.000 1.007 1062 V HN 0.832 nan 8.190 nan 0.000 0.437 1063 I N 3.007 123.635 120.570 0.097 0.000 2.656 1063 I HA 0.586 4.757 4.170 0.002 0.000 0.292 1063 I C 0.149 176.064 176.117 -0.337 0.000 1.144 1063 I CA -0.185 61.080 61.300 -0.060 0.000 1.038 1063 I CB 2.632 40.556 38.000 -0.128 0.000 1.244 1063 I HN 1.106 nan 8.210 nan 0.000 0.420 1064 S N 4.966 120.308 115.700 -0.598 0.000 2.652 1064 S HA 0.316 4.787 4.470 0.002 0.000 0.270 1064 S C 0.897 175.169 174.600 -0.547 0.000 1.243 1064 S CA -0.674 56.965 58.200 -0.934 0.000 0.999 1064 S CB 1.864 64.540 63.200 -0.872 0.000 0.973 1064 S HN 0.453 nan 8.310 nan 0.000 0.544 1065 V N 2.011 121.617 119.914 -0.514 0.000 2.427 1065 V HA -0.158 3.963 4.120 0.002 0.000 0.248 1065 V C 2.674 178.445 176.094 -0.538 0.000 1.051 1065 V CA 1.957 63.939 62.300 -0.529 0.000 1.048 1065 V CB -1.357 30.190 31.823 -0.460 0.000 0.666 1065 V HN 0.835 nan 8.190 nan 0.000 0.456 1066 Q N 0.304 119.897 119.800 -0.346 0.000 2.061 1066 Q HA -0.227 4.114 4.340 0.002 0.000 0.204 1066 Q C 2.210 178.128 176.000 -0.137 0.000 0.984 1066 Q CA 1.999 57.687 55.803 -0.192 0.000 0.846 1066 Q CB -0.348 28.316 28.738 -0.124 0.000 0.902 1066 Q HN 0.676 nan 8.270 nan 0.000 0.421 1067 E N -0.205 119.892 120.200 -0.171 0.000 2.077 1067 E HA -0.170 4.181 4.350 0.002 0.000 0.193 1067 E C 1.938 178.495 176.600 -0.070 0.000 0.989 1067 E CA 1.134 57.471 56.400 -0.105 0.000 0.800 1067 E CB -0.078 29.545 29.700 -0.129 0.000 0.746 1067 E HN 0.329 nan 8.360 nan 0.000 0.452 1068 M N -0.415 119.081 119.600 -0.173 0.000 2.065 1068 M HA -0.201 4.280 4.480 0.002 0.000 0.259 1068 M C 1.980 178.424 176.300 0.239 0.000 1.069 1068 M CA 1.712 56.947 55.300 -0.109 0.000 1.110 1068 M CB -0.354 31.976 32.600 -0.450 0.000 1.328 1068 M HN 0.254 nan 8.290 nan 0.000 0.405 1069 H N -1.005 118.099 119.070 0.056 0.000 2.456 1069 H HA -0.048 4.509 4.556 0.002 0.000 0.296 1069 H C 2.042 177.400 175.328 0.049 0.000 1.079 1069 H CA 0.611 56.701 56.048 0.069 0.000 1.322 1069 H CB -0.006 29.770 29.762 0.024 0.000 1.388 1069 H HN 0.470 nan 8.280 nan 0.000 0.538 1070 A N 0.964 123.875 122.820 0.151 0.000 1.968 1070 A HA -0.143 4.178 4.320 0.002 0.000 0.217 1070 A C 2.062 179.695 177.584 0.082 0.000 1.169 1070 A CA 0.921 53.009 52.037 0.087 0.000 0.638 1070 A CB -0.134 18.893 19.000 0.046 0.000 0.812 1070 A HN 0.439 nan 8.150 nan 0.000 0.446 1071 Q N -0.609 119.261 119.800 0.117 0.000 2.472 1071 Q HA 0.128 4.469 4.340 0.002 0.000 0.208 1071 Q C -0.387 175.650 176.000 0.063 0.000 0.958 1071 Q CA 0.135 55.998 55.803 0.101 0.000 0.932 1071 Q CB -0.105 28.728 28.738 0.159 0.000 1.007 1071 Q HN 0.650 nan 8.270 nan 0.000 0.508 1072 I N 2.046 122.656 120.570 0.067 0.000 2.329 1072 I HA 0.041 4.212 4.170 0.002 0.000 0.295 1072 I C 0.081 176.193 176.117 -0.007 0.000 1.109 1072 I CA 0.095 61.394 61.300 -0.001 0.000 1.297 1072 I CB 0.373 38.365 38.000 -0.012 0.000 1.433 1072 I HN -0.093 nan 8.210 nan 0.000 0.509 1073 K N 0.000 120.388 120.400 -0.020 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 1073 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543