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 1cs0_1_G DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN 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 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 2 P HA 0.325 nan 4.420 nan 0.000 0.345 2 P C -1.182 175.812 177.300 -0.510 0.000 1.344 2 P CA -0.344 62.606 63.100 -0.250 0.000 0.803 2 P CB 0.045 31.671 31.700 -0.123 0.000 1.876 3 K N 0.026 120.024 120.400 -0.670 0.000 2.276 3 K HA 0.187 4.405 4.320 -0.170 0.000 0.259 3 K C 0.154 176.669 176.600 -0.142 0.000 1.001 3 K CA -0.266 55.726 56.287 -0.492 0.000 0.927 3 K CB 0.540 32.881 32.500 -0.264 0.000 0.969 3 K HN 0.172 nan 8.250 nan 0.000 0.490 4 R N 0.457 120.958 120.500 0.002 0.000 2.490 4 R HA 0.028 4.265 4.340 -0.170 0.000 0.280 4 R C 0.679 177.037 176.300 0.098 0.000 1.077 4 R CA 0.370 56.501 56.100 0.051 0.000 1.065 4 R CB 0.754 31.090 30.300 0.059 0.000 1.003 4 R HN 0.955 nan 8.270 nan 0.000 0.470 5 T N -3.041 111.541 114.554 0.046 0.000 2.971 5 T HA -0.029 4.218 4.350 -0.170 0.000 0.252 5 T C 0.693 175.417 174.700 0.041 0.000 1.022 5 T CA -0.153 61.964 62.100 0.029 0.000 0.980 5 T CB 0.180 69.048 68.868 -0.001 0.000 1.044 5 T HN 0.632 nan 8.240 nan 0.000 0.501 6 D N 1.448 121.876 120.400 0.047 0.000 2.323 6 D HA 0.193 4.730 4.640 -0.170 0.000 0.239 6 D C 0.154 176.495 176.300 0.067 0.000 1.129 6 D CA -0.265 53.762 54.000 0.044 0.000 0.865 6 D CB -0.344 40.475 40.800 0.031 0.000 0.913 6 D HN 0.468 nan 8.370 nan 0.000 0.517 7 I N -0.236 120.400 120.570 0.110 0.000 2.548 7 I HA 0.211 4.279 4.170 -0.170 0.000 0.287 7 I C 0.115 176.371 176.117 0.232 0.000 1.103 7 I CA -0.650 60.746 61.300 0.161 0.000 1.049 7 I CB 2.260 40.363 38.000 0.171 0.000 1.232 7 I HN -0.322 nan 8.210 nan 0.000 0.429 8 K N 2.134 122.637 120.400 0.171 0.000 2.403 8 K HA 0.212 4.429 4.320 -0.170 0.000 0.199 8 K C 0.259 176.972 176.600 0.189 0.000 1.199 8 K CA 0.152 56.527 56.287 0.146 0.000 0.924 8 K CB 0.529 33.064 32.500 0.057 0.000 1.137 8 K HN 0.563 nan 8.250 nan 0.000 0.510 9 S N 0.633 116.418 115.700 0.143 0.000 2.503 9 S HA 0.733 5.101 4.470 -0.170 0.000 0.301 9 S C -0.451 174.205 174.600 0.093 0.000 1.087 9 S CA -0.857 57.414 58.200 0.118 0.000 1.042 9 S CB 1.206 64.453 63.200 0.078 0.000 1.043 9 S HN 0.078 nan 8.310 nan 0.000 0.489 10 I N 2.285 122.901 120.570 0.076 0.000 2.533 10 I HA 0.413 4.481 4.170 -0.170 0.000 0.290 10 I C -1.215 174.917 176.117 0.026 0.000 1.056 10 I CA -0.821 60.496 61.300 0.028 0.000 1.057 10 I CB 2.099 40.084 38.000 -0.025 0.000 1.240 10 I HN 0.634 nan 8.210 nan 0.000 0.423 11 L N 7.705 128.936 121.223 0.013 0.000 2.272 11 L HA 0.605 4.842 4.340 -0.170 0.000 0.289 11 L C -0.868 176.005 176.870 0.005 0.000 1.032 11 L CA 0.107 54.955 54.840 0.013 0.000 0.810 11 L CB 0.673 42.731 42.059 -0.003 0.000 1.205 11 L HN 0.404 nan 8.230 nan 0.000 0.422 12 I N 6.231 126.809 120.570 0.013 0.000 2.354 12 I HA 0.273 4.341 4.170 -0.170 0.000 0.292 12 I C -0.545 175.577 176.117 0.007 0.000 0.989 12 I CA -0.629 60.675 61.300 0.006 0.000 1.188 12 I CB 1.351 39.357 38.000 0.010 0.000 1.342 12 I HN 0.474 nan 8.210 nan 0.000 0.457 13 L N 6.290 127.509 121.223 -0.006 0.000 2.315 13 L HA 0.385 4.623 4.340 -0.170 0.000 0.283 13 L C 1.043 177.900 176.870 -0.021 0.000 1.089 13 L CA -0.281 54.551 54.840 -0.014 0.000 0.833 13 L CB 0.471 42.514 42.059 -0.025 0.000 1.170 13 L HN 0.686 nan 8.230 nan 0.000 0.442 14 G N 1.733 110.530 108.800 -0.006 0.000 2.651 14 G HA2 0.364 4.222 3.960 -0.170 0.000 0.260 14 G HA3 0.364 4.222 3.960 -0.170 0.000 0.260 14 G C 0.775 175.653 174.900 -0.036 0.000 1.216 14 G CA 0.158 45.259 45.100 0.001 0.000 0.913 14 G HN 0.782 nan 8.290 nan 0.000 0.535 15 A N -0.892 121.912 122.820 -0.027 0.000 2.030 15 A HA 0.571 4.788 4.320 -0.170 0.000 0.215 15 A C 1.581 179.149 177.584 -0.025 0.000 1.164 15 A CA 1.617 53.606 52.037 -0.079 0.000 0.697 15 A CB -0.765 18.212 19.000 -0.038 0.000 0.827 15 A HN 2.547 nan 8.150 nan 0.000 0.457 16 G N -1.057 107.749 108.800 0.010 0.000 2.582 16 G HA2 -0.024 3.834 3.960 -0.170 0.000 0.222 16 G HA3 -0.024 3.834 3.960 -0.170 0.000 0.222 16 G C -3.101 171.812 174.900 0.022 0.000 1.311 16 G CA -0.443 44.662 45.100 0.008 0.000 0.915 16 G HN 0.367 nan 8.290 nan 0.000 0.528 17 P HA 0.414 nan 4.420 nan 0.000 0.272 17 P C 0.333 177.643 177.300 0.017 0.000 1.223 17 P CA -0.341 62.760 63.100 0.002 0.000 0.784 17 P CB 0.364 32.051 31.700 -0.021 0.000 0.923 18 I N 2.066 122.646 120.570 0.016 0.000 2.533 18 I HA 0.096 4.164 4.170 -0.170 0.000 0.284 18 I C 0.868 176.986 176.117 0.002 0.000 1.109 18 I CA 0.018 61.333 61.300 0.025 0.000 1.412 18 I CB -0.058 37.954 38.000 0.020 0.000 1.396 18 I HN 0.194 nan 8.210 nan 0.000 0.543 19 V N 5.112 125.030 119.914 0.006 0.000 3.102 19 V HA 0.568 4.586 4.120 -0.170 0.000 0.312 19 V C -0.018 176.057 176.094 -0.032 0.000 1.135 19 V CA -1.181 61.105 62.300 -0.024 0.000 1.022 19 V CB 2.169 33.970 31.823 -0.036 0.000 1.056 19 V HN 0.453 nan 8.190 nan 0.000 0.436 20 I N 2.478 123.005 120.570 -0.071 0.000 2.668 20 I HA 0.419 4.487 4.170 -0.170 0.000 0.285 20 I C 1.538 177.606 176.117 -0.082 0.000 1.168 20 I CA 1.943 63.191 61.300 -0.088 0.000 1.424 20 I CB 0.627 38.539 38.000 -0.146 0.000 1.377 20 I HN 1.269 nan 8.210 nan 0.000 0.560 21 G N 4.861 113.623 108.800 -0.063 0.000 2.217 21 G HA2 -0.283 3.575 3.960 -0.170 0.000 0.246 21 G HA3 -0.283 3.575 3.960 -0.170 0.000 0.246 21 G C 0.297 175.226 174.900 0.049 0.000 0.990 21 G CA 0.102 45.174 45.100 -0.047 0.000 0.627 21 G HN 0.607 nan 8.290 nan 0.000 0.522 22 Q N -0.037 119.813 119.800 0.084 0.000 3.550 22 Q HA 0.652 4.890 4.340 -0.170 0.000 0.206 22 Q C 0.146 176.267 176.000 0.202 0.000 0.891 22 Q CA 0.427 56.376 55.803 0.242 0.000 0.737 22 Q CB 0.589 29.436 28.738 0.181 0.000 1.417 22 Q HN 0.888 nan 8.270 nan 0.000 0.460 23 A N 0.081 122.972 122.820 0.117 0.000 3.444 23 A HA 0.383 4.601 4.320 -0.170 0.000 0.189 23 A C 1.159 178.755 177.584 0.020 0.000 1.542 23 A CA -0.144 51.920 52.037 0.044 0.000 0.867 23 A CB -0.327 18.661 19.000 -0.021 0.000 1.712 23 A HN 0.799 nan 8.150 nan 0.000 0.556 24 C N 1.059 120.350 119.300 -0.015 0.000 2.403 24 C HA -0.115 4.243 4.460 -0.170 0.000 0.282 24 C C 2.502 177.470 174.990 -0.037 0.000 1.297 24 C CA 1.145 60.164 59.018 0.002 0.000 1.785 24 C CB -1.486 26.256 27.740 0.003 0.000 1.963 24 C HN 0.865 nan 8.230 nan 0.000 0.507 25 E N 1.175 121.254 120.200 -0.203 0.000 2.273 25 E HA -0.233 4.015 4.350 -0.170 0.000 0.198 25 E C 1.306 177.710 176.600 -0.327 0.000 1.002 25 E CA 1.606 57.820 56.400 -0.309 0.000 0.828 25 E CB -0.626 28.758 29.700 -0.526 0.000 0.747 25 E HN 0.643 nan 8.360 nan 0.000 0.491 26 F N 1.258 121.274 119.950 0.110 0.000 2.664 26 F HA 0.110 4.534 4.527 -0.172 0.000 0.296 26 F C 1.989 177.833 175.800 0.073 0.000 1.125 26 F CA 0.538 58.586 58.000 0.080 0.000 1.444 26 F CB -0.181 38.849 39.000 0.050 0.000 1.114 26 F HN 0.023 nan 8.300 nan 0.000 0.576 27 D N -0.814 119.711 120.400 0.208 0.000 2.162 27 D HA -0.211 4.327 4.640 -0.170 0.000 0.205 27 D C 2.213 178.597 176.300 0.140 0.000 0.964 27 D CA 1.005 55.100 54.000 0.159 0.000 0.847 27 D CB -0.337 40.546 40.800 0.140 0.000 0.988 27 D HN 0.250 nan 8.370 nan 0.000 0.480 28 Y N 1.091 121.408 120.300 0.027 0.000 2.097 28 Y HA -0.210 4.238 4.550 -0.170 0.000 0.282 28 Y C 2.365 178.280 175.900 0.025 0.000 1.152 28 Y CA 2.340 60.443 58.100 0.004 0.000 1.136 28 Y CB -0.599 37.846 38.460 -0.024 0.000 0.975 28 Y HN -0.068 nan 8.280 nan 0.000 0.498 29 S N 0.131 115.765 115.700 -0.111 0.000 2.368 29 S HA -0.091 4.277 4.470 -0.170 0.000 0.224 29 S C 2.242 176.796 174.600 -0.076 0.000 1.029 29 S CA 1.025 59.126 58.200 -0.165 0.000 0.988 29 S CB -1.145 62.106 63.200 0.086 0.000 0.838 29 S HN 0.739 nan 8.310 nan 0.000 0.462 30 G N 1.564 110.387 108.800 0.039 0.000 2.440 30 G HA2 -0.139 3.718 3.960 -0.170 0.000 0.218 30 G HA3 -0.139 3.718 3.960 -0.170 0.000 0.218 30 G C 1.554 176.452 174.900 -0.005 0.000 1.154 30 G CA 1.031 46.155 45.100 0.041 0.000 0.767 30 G HN 0.580 nan 8.290 nan 0.000 0.552 31 A N 0.208 123.013 122.820 -0.024 0.000 1.898 31 A HA -0.054 4.164 4.320 -0.170 0.000 0.216 31 A C 2.336 179.868 177.584 -0.086 0.000 1.181 31 A CA 1.831 53.846 52.037 -0.037 0.000 0.620 31 A CB -0.400 18.588 19.000 -0.021 0.000 0.819 31 A HN 0.453 nan 8.150 nan 0.000 0.442 32 Q N -0.755 118.939 119.800 -0.177 0.000 2.124 32 Q HA -0.110 4.128 4.340 -0.170 0.000 0.202 32 Q C 2.374 178.310 176.000 -0.106 0.000 0.977 32 Q CA 1.297 56.983 55.803 -0.196 0.000 0.850 32 Q CB -0.323 28.212 28.738 -0.338 0.000 0.901 32 Q HN 0.700 nan 8.270 nan 0.000 0.429 33 A N 0.107 122.881 122.820 -0.076 0.000 1.929 33 A HA -0.135 4.082 4.320 -0.170 0.000 0.216 33 A C 2.319 179.892 177.584 -0.019 0.000 1.176 33 A CA 0.882 52.897 52.037 -0.037 0.000 0.628 33 A CB -0.758 18.230 19.000 -0.020 0.000 0.816 33 A HN 0.437 nan 8.150 nan 0.000 0.444 34 C N -0.528 118.764 119.300 -0.014 0.000 2.413 34 C HA -0.105 4.253 4.460 -0.170 0.000 0.278 34 C C 2.704 177.700 174.990 0.009 0.000 1.224 34 C CA 1.474 60.495 59.018 0.005 0.000 1.732 34 C CB -0.985 26.760 27.740 0.008 0.000 2.050 34 C HN 0.743 nan 8.230 nan 0.000 0.463 35 K N 1.011 121.406 120.400 -0.009 0.000 2.044 35 K HA -0.217 4.001 4.320 -0.170 0.000 0.210 35 K C 2.069 178.672 176.600 0.005 0.000 1.049 35 K CA 1.969 58.251 56.287 -0.008 0.000 0.927 35 K CB -0.359 32.121 32.500 -0.033 0.000 0.713 35 K HN 0.431 nan 8.250 nan 0.000 0.443 36 A N 0.930 123.747 122.820 -0.005 0.000 1.902 36 A HA -0.099 4.119 4.320 -0.170 0.000 0.217 36 A C 2.110 179.732 177.584 0.063 0.000 1.181 36 A CA 1.377 53.419 52.037 0.008 0.000 0.623 36 A CB -0.510 18.482 19.000 -0.013 0.000 0.818 36 A HN 0.339 nan 8.150 nan 0.000 0.443 37 L N -1.386 119.876 121.223 0.066 0.000 2.179 37 L HA -0.059 4.179 4.340 -0.170 0.000 0.208 37 L C 2.699 179.700 176.870 0.218 0.000 1.096 37 L CA 1.241 56.163 54.840 0.136 0.000 0.779 37 L CB -0.447 41.632 42.059 0.033 0.000 0.922 37 L HN 0.427 nan 8.230 nan 0.000 0.443 38 R N 0.828 121.401 120.500 0.122 0.000 2.070 38 R HA -0.199 4.039 4.340 -0.170 0.000 0.232 38 R C 2.160 178.516 176.300 0.094 0.000 1.138 38 R CA 1.756 57.917 56.100 0.101 0.000 0.936 38 R CB -0.165 30.168 30.300 0.055 0.000 0.839 38 R HN 0.276 nan 8.270 nan 0.000 0.429 39 E N -0.038 120.205 120.200 0.071 0.000 2.136 39 E HA -0.217 4.030 4.350 -0.170 0.000 0.202 39 E C 1.487 178.130 176.600 0.072 0.000 1.019 39 E CA 1.612 58.043 56.400 0.052 0.000 0.819 39 E CB 0.066 29.787 29.700 0.036 0.000 0.739 39 E HN 0.347 nan 8.360 nan 0.000 0.458 40 E N -0.905 119.382 120.200 0.145 0.000 2.511 40 E HA -0.010 4.237 4.350 -0.170 0.000 0.196 40 E C 0.973 177.593 176.600 0.034 0.000 1.066 40 E CA 0.729 57.249 56.400 0.200 0.000 0.871 40 E CB 0.408 30.386 29.700 0.463 0.000 0.863 40 E HN 0.411 nan 8.360 nan 0.000 0.520 41 G N 1.192 110.005 108.800 0.022 0.000 2.160 41 G HA2 -0.302 3.556 3.960 -0.170 0.000 0.244 41 G HA3 -0.302 3.556 3.960 -0.170 0.000 0.244 41 G C -0.251 174.551 174.900 -0.163 0.000 1.022 41 G CA 0.116 45.167 45.100 -0.081 0.000 0.741 41 G HN 0.221 nan 8.290 nan 0.000 0.508 42 Y N -0.670 119.652 120.300 0.037 0.000 2.354 42 Y HA 0.569 5.016 4.550 -0.170 0.000 0.322 42 Y C 1.195 177.110 175.900 0.025 0.000 1.253 42 Y CA -0.774 57.346 58.100 0.034 0.000 1.272 42 Y CB 0.824 39.309 38.460 0.041 0.000 1.255 42 Y HN 0.130 nan 8.280 nan 0.000 0.500 43 R N 1.953 122.572 120.500 0.198 0.000 2.205 43 R HA 0.420 4.657 4.340 -0.170 0.000 0.342 43 R C -1.740 174.629 176.300 0.116 0.000 1.058 43 R CA -0.306 55.864 56.100 0.117 0.000 0.904 43 R CB 0.141 30.491 30.300 0.082 0.000 1.089 43 R HN 0.511 nan 8.270 nan 0.000 0.471 44 V N 7.461 127.430 119.914 0.092 0.000 2.364 44 V HA 0.293 4.310 4.120 -0.170 0.000 0.272 44 V C 0.153 176.282 176.094 0.058 0.000 1.036 44 V CA -0.430 61.913 62.300 0.071 0.000 0.880 44 V CB 1.202 33.064 31.823 0.064 0.000 0.991 44 V HN 0.633 nan 8.190 nan 0.000 0.460 45 I N 7.183 127.794 120.570 0.068 0.000 2.362 45 I HA 0.491 4.559 4.170 -0.170 0.000 0.289 45 I C -0.454 175.719 176.117 0.093 0.000 0.994 45 I CA -0.454 60.905 61.300 0.098 0.000 1.158 45 I CB 1.508 39.574 38.000 0.111 0.000 1.315 45 I HN 0.411 nan 8.210 nan 0.000 0.451 46 L N 6.168 127.459 121.223 0.114 0.000 2.333 46 L HA 0.825 5.063 4.340 -0.170 0.000 0.263 46 L C -0.947 176.011 176.870 0.146 0.000 1.014 46 L CA -1.188 53.709 54.840 0.094 0.000 0.820 46 L CB 1.534 43.625 42.059 0.053 0.000 1.352 46 L HN 0.382 nan 8.230 nan 0.000 0.421 47 V N 2.520 122.488 119.914 0.090 0.000 2.525 47 V HA 0.739 4.757 4.120 -0.170 0.000 0.299 47 V C -1.392 174.734 176.094 0.053 0.000 1.034 47 V CA -0.038 62.317 62.300 0.092 0.000 0.863 47 V CB 1.394 33.242 31.823 0.041 0.000 0.999 47 V HN 1.040 nan 8.190 nan 0.000 0.423 48 N N 3.375 122.108 118.700 0.054 0.000 2.648 48 N HA 0.192 4.830 4.740 -0.170 0.000 0.272 48 N C 0.500 176.028 175.510 0.030 0.000 1.118 48 N CA 0.302 53.374 53.050 0.036 0.000 0.973 48 N CB 2.311 40.822 38.487 0.041 0.000 1.565 48 N HN 0.659 nan 8.380 nan 0.000 0.542 49 S N 1.728 117.438 115.700 0.018 0.000 2.474 49 S HA -0.055 4.313 4.470 -0.170 0.000 0.235 49 S C 0.755 175.358 174.600 0.006 0.000 0.997 49 S CA 0.314 58.518 58.200 0.006 0.000 0.949 49 S CB -0.221 62.973 63.200 -0.010 0.000 0.766 49 S HN 0.567 nan 8.310 nan 0.000 0.517 50 N N 3.368 122.076 118.700 0.013 0.000 2.415 50 N HA 0.252 4.890 4.740 -0.170 0.000 0.246 50 N C -1.634 173.883 175.510 0.013 0.000 1.078 50 N CA -2.423 50.633 53.050 0.010 0.000 0.942 50 N CB 1.296 39.796 38.487 0.022 0.000 1.140 50 N HN 0.055 nan 8.380 nan 0.000 0.501 51 P HA -0.053 nan 4.420 nan 0.000 0.219 51 P C 0.246 177.487 177.300 -0.097 0.000 1.150 51 P CA 0.717 63.814 63.100 -0.004 0.000 0.814 51 P CB 0.093 31.828 31.700 0.059 0.000 0.787 52 A N 0.404 123.142 122.820 -0.137 0.000 2.426 52 A HA 0.230 4.448 4.320 -0.170 0.000 0.247 52 A C 0.492 178.060 177.584 -0.026 0.000 1.389 52 A CA 0.149 52.019 52.037 -0.278 0.000 1.129 52 A CB -1.559 17.301 19.000 -0.233 0.000 0.928 52 A HN 0.307 nan 8.150 nan 0.000 0.557 53 T N -2.852 111.762 114.554 0.099 0.000 2.829 53 T HA 0.533 4.781 4.350 -0.170 0.000 0.280 53 T C 0.966 175.854 174.700 0.313 0.000 0.999 53 T CA -0.739 61.483 62.100 0.203 0.000 0.983 53 T CB 1.162 70.103 68.868 0.121 0.000 0.968 53 T HN -0.011 nan 8.240 nan 0.000 0.446 54 I N 2.607 123.311 120.570 0.223 0.000 2.252 54 I HA -0.141 3.926 4.170 -0.170 0.000 0.245 54 I C 2.587 178.772 176.117 0.114 0.000 1.102 54 I CA 1.656 63.024 61.300 0.115 0.000 1.385 54 I CB -0.855 37.157 38.000 0.020 0.000 1.064 54 I HN 0.869 nan 8.210 nan 0.000 0.414 55 M N 0.684 120.342 119.600 0.097 0.000 2.530 55 M HA -0.144 4.233 4.480 -0.170 0.000 0.261 55 M C 1.514 177.855 176.300 0.069 0.000 1.067 55 M CA 2.040 57.381 55.300 0.069 0.000 1.071 55 M CB -0.845 31.791 32.600 0.060 0.000 1.405 55 M HN 0.284 nan 8.290 nan 0.000 0.478 56 T N -3.063 111.549 114.554 0.095 0.000 3.086 56 T HA 0.163 4.411 4.350 -0.170 0.000 0.250 56 T C -0.024 174.719 174.700 0.071 0.000 1.074 56 T CA -0.470 61.670 62.100 0.066 0.000 0.988 56 T CB -0.370 68.533 68.868 0.058 0.000 0.988 56 T HN 0.251 nan 8.240 nan 0.000 0.530 57 D N 3.883 124.352 120.400 0.116 0.000 2.458 57 D HA 0.154 4.692 4.640 -0.170 0.000 0.243 57 D C -1.265 175.062 176.300 0.045 0.000 1.146 57 D CA -2.005 52.070 54.000 0.125 0.000 0.877 57 D CB 1.548 42.436 40.800 0.146 0.000 1.176 57 D HN 0.108 nan 8.370 nan 0.000 0.461 58 P HA -0.216 nan 4.420 nan 0.000 0.216 58 P C 1.116 178.406 177.300 -0.016 0.000 1.154 58 P CA 1.313 64.391 63.100 -0.037 0.000 0.865 58 P CB 0.146 31.829 31.700 -0.029 0.000 0.789 59 E N -0.736 119.467 120.200 0.006 0.000 2.409 59 E HA -0.112 4.136 4.350 -0.170 0.000 0.198 59 E C 1.445 178.046 176.600 0.001 0.000 1.024 59 E CA 0.930 57.331 56.400 0.001 0.000 0.861 59 E CB -0.661 29.038 29.700 -0.003 0.000 0.788 59 E HN 0.185 nan 8.360 nan 0.000 0.521 60 M N 0.682 120.286 119.600 0.006 0.000 2.447 60 M HA 0.266 4.644 4.480 -0.170 0.000 0.264 60 M C 1.093 177.398 176.300 0.008 0.000 1.095 60 M CA 0.495 55.800 55.300 0.009 0.000 1.125 60 M CB -0.199 32.412 32.600 0.019 0.000 1.389 60 M HN 0.187 nan 8.290 nan 0.000 0.459 61 A N -0.592 122.228 122.820 -0.001 0.000 2.567 61 A HA 0.500 4.718 4.320 -0.170 0.000 0.289 61 A C 0.038 177.615 177.584 -0.012 0.000 1.177 61 A CA -0.628 51.410 52.037 0.002 0.000 0.694 61 A CB 0.674 19.678 19.000 0.007 0.000 1.292 61 A HN 0.173 nan 8.150 nan 0.000 0.425 62 D N 0.009 120.408 120.400 -0.002 0.000 2.149 62 D HA 0.232 4.770 4.640 -0.170 0.000 0.206 62 D C 0.748 177.021 176.300 -0.045 0.000 0.967 62 D CA 1.756 55.749 54.000 -0.011 0.000 0.848 62 D CB 0.192 41.000 40.800 0.014 0.000 0.998 62 D HN 0.669 nan 8.370 nan 0.000 0.474 63 A N 1.220 124.014 122.820 -0.044 0.000 2.545 63 A HA 0.440 4.658 4.320 -0.170 0.000 0.300 63 A C -0.520 176.961 177.584 -0.171 0.000 1.252 63 A CA -0.505 51.457 52.037 -0.125 0.000 0.753 63 A CB 0.812 19.822 19.000 0.017 0.000 1.144 63 A HN -0.153 nan 8.150 nan 0.000 0.457 64 T N 2.593 116.983 114.554 -0.273 0.000 2.744 64 T HA 0.416 4.664 4.350 -0.170 0.000 0.291 64 T C -0.923 173.551 174.700 -0.378 0.000 0.957 64 T CA 0.485 62.459 62.100 -0.209 0.000 1.002 64 T CB -0.119 68.659 68.868 -0.149 0.000 0.919 64 T HN 0.390 nan 8.240 nan 0.000 0.468 65 Y N 2.921 123.186 120.300 -0.059 0.000 2.491 65 Y HA 0.423 4.870 4.550 -0.171 0.000 0.334 65 Y C 0.522 176.388 175.900 -0.057 0.000 0.969 65 Y CA -0.945 57.115 58.100 -0.067 0.000 1.241 65 Y CB 0.331 38.754 38.460 -0.062 0.000 1.105 65 Y HN 0.566 nan 8.280 nan 0.000 0.503 66 I N 4.900 125.484 120.570 0.024 0.000 2.224 66 I HA 0.165 4.232 4.170 -0.170 0.000 0.293 66 I C -0.169 175.965 176.117 0.028 0.000 1.155 66 I CA 0.195 61.505 61.300 0.017 0.000 1.297 66 I CB -0.233 37.761 38.000 -0.010 0.000 1.487 66 I HN 0.547 nan 8.210 nan 0.000 0.564 67 E N 5.847 126.074 120.200 0.046 0.000 2.416 67 E HA 0.469 4.716 4.350 -0.170 0.000 0.273 67 E C -2.619 173.979 176.600 -0.004 0.000 0.935 67 E CA -2.120 54.291 56.400 0.018 0.000 0.784 67 E CB 1.892 31.612 29.700 0.033 0.000 1.301 67 E HN -0.008 nan 8.360 nan 0.000 0.454 68 P HA 0.138 nan 4.420 nan 0.000 0.267 68 P C -0.002 177.301 177.300 0.005 0.000 1.205 68 P CA 0.325 63.410 63.100 -0.025 0.000 0.765 68 P CB 0.143 31.812 31.700 -0.052 0.000 0.828 69 I N 4.133 124.713 120.570 0.016 0.000 2.270 69 I HA 0.045 4.112 4.170 -0.170 0.000 0.294 69 I C 1.043 177.196 176.117 0.059 0.000 1.164 69 I CA 0.254 61.568 61.300 0.023 0.000 1.680 69 I CB -0.895 37.108 38.000 0.005 0.000 1.494 69 I HN 0.379 nan 8.210 nan 0.000 0.767 70 H N 5.700 124.739 119.070 -0.052 0.000 2.538 70 H HA 0.051 4.505 4.556 -0.171 0.000 0.353 70 H C 0.625 175.915 175.328 -0.063 0.000 1.109 70 H CA -1.002 55.016 56.048 -0.051 0.000 1.192 70 H CB 1.383 31.077 29.762 -0.113 0.000 1.555 70 H HN 0.583 nan 8.280 nan 0.000 0.518 71 W N 5.491 126.645 121.300 -0.244 0.000 2.308 71 W HA -0.185 4.372 4.660 -0.171 0.000 0.301 71 W C 0.395 176.963 176.519 0.081 0.000 1.220 71 W CA 1.433 58.725 57.345 -0.087 0.000 1.240 71 W CB -0.444 28.924 29.460 -0.154 0.000 1.142 71 W HN 0.660 nan 8.180 nan 0.000 0.521 72 E N 0.831 120.661 120.200 -0.616 0.000 2.106 72 E HA -0.152 4.096 4.350 -0.170 0.000 0.192 72 E C 2.413 178.834 176.600 -0.298 0.000 0.984 72 E CA 1.710 57.689 56.400 -0.702 0.000 0.806 72 E CB -0.371 28.860 29.700 -0.783 0.000 0.750 72 E HN 0.195 nan 8.360 nan 0.000 0.458 73 V N 1.298 121.112 119.914 -0.167 0.000 2.270 73 V HA -0.223 3.794 4.120 -0.170 0.000 0.245 73 V C 2.458 178.456 176.094 -0.159 0.000 1.043 73 V CA 1.370 63.578 62.300 -0.154 0.000 1.014 73 V CB -0.466 31.290 31.823 -0.111 0.000 0.645 73 V HN 0.108 nan 8.190 nan 0.000 0.447 74 V N 0.128 119.982 119.914 -0.099 0.000 2.287 74 V HA -0.317 3.701 4.120 -0.170 0.000 0.248 74 V C 2.553 178.559 176.094 -0.148 0.000 1.053 74 V CA 2.446 64.678 62.300 -0.112 0.000 1.027 74 V CB -0.932 30.876 31.823 -0.025 0.000 0.646 74 V HN 0.471 nan 8.190 nan 0.000 0.447 75 R N 0.051 120.505 120.500 -0.076 0.000 2.096 75 R HA -0.222 4.015 4.340 -0.170 0.000 0.240 75 R C 2.500 178.659 176.300 -0.235 0.000 1.139 75 R CA 1.677 57.726 56.100 -0.086 0.000 0.952 75 R CB -0.190 30.140 30.300 0.050 0.000 0.854 75 R HN 0.318 nan 8.270 nan 0.000 0.436 76 K N 0.618 120.894 120.400 -0.207 0.000 2.063 76 K HA -0.123 4.094 4.320 -0.170 0.000 0.208 76 K C 2.043 178.461 176.600 -0.304 0.000 1.048 76 K CA 1.350 57.503 56.287 -0.222 0.000 0.928 76 K CB -0.374 32.011 32.500 -0.192 0.000 0.713 76 K HN 0.340 nan 8.250 nan 0.000 0.442 77 I N 0.391 120.735 120.570 -0.375 0.000 2.315 77 I HA -0.243 3.825 4.170 -0.170 0.000 0.248 77 I C 2.254 178.127 176.117 -0.406 0.000 1.117 77 I CA 0.921 61.897 61.300 -0.540 0.000 1.404 77 I CB -0.234 37.337 38.000 -0.716 0.000 1.071 77 I HN 0.037 nan 8.210 nan 0.000 0.419 78 I N 0.392 120.734 120.570 -0.380 0.000 2.179 78 I HA -0.267 3.800 4.170 -0.170 0.000 0.242 78 I C 2.747 178.538 176.117 -0.543 0.000 1.088 78 I CA 1.245 62.300 61.300 -0.408 0.000 1.357 78 I CB -0.426 37.321 38.000 -0.422 0.000 1.051 78 I HN 0.272 nan 8.210 nan 0.000 0.409 79 E N 1.638 121.399 120.200 -0.731 0.000 2.097 79 E HA -0.312 3.935 4.350 -0.170 0.000 0.196 79 E C 2.112 178.570 176.600 -0.236 0.000 1.000 79 E CA 1.827 57.859 56.400 -0.614 0.000 0.804 79 E CB -0.050 29.397 29.700 -0.422 0.000 0.740 79 E HN 0.457 nan 8.360 nan 0.000 0.454 80 K N 0.072 120.354 120.400 -0.198 0.000 2.062 80 K HA -0.100 4.118 4.320 -0.170 0.000 0.205 80 K C 1.865 178.433 176.600 -0.053 0.000 1.051 80 K CA 1.266 57.498 56.287 -0.091 0.000 0.941 80 K CB 0.075 32.533 32.500 -0.069 0.000 0.719 80 K HN -0.057 nan 8.250 nan 0.000 0.440 81 E N 0.745 120.895 120.200 -0.083 0.000 2.230 81 E HA -0.016 4.232 4.350 -0.170 0.000 0.192 81 E C -0.147 176.441 176.600 -0.018 0.000 0.987 81 E CA 0.171 56.558 56.400 -0.022 0.000 0.841 81 E CB 0.197 29.902 29.700 0.008 0.000 0.783 81 E HN 0.242 nan 8.360 nan 0.000 0.481 82 R N 0.560 121.024 120.500 -0.059 0.000 3.251 82 R HA -0.131 4.107 4.340 -0.170 0.000 0.249 82 R C -2.302 174.009 176.300 0.018 0.000 0.949 82 R CA 0.372 56.466 56.100 -0.010 0.000 0.645 82 R CB -2.520 27.805 30.300 0.042 0.000 1.065 82 R HN 0.228 nan 8.270 nan 0.000 0.452 83 P HA 0.038 nan 4.420 nan 0.000 0.266 83 P C 0.588 177.913 177.300 0.042 0.000 1.195 83 P CA -0.075 63.039 63.100 0.023 0.000 0.768 83 P CB 0.609 32.312 31.700 0.006 0.000 0.838 84 D N 0.644 121.075 120.400 0.051 0.000 2.123 84 D HA 0.044 4.581 4.640 -0.170 0.000 0.200 84 D C 0.816 177.142 176.300 0.044 0.000 0.976 84 D CA 1.311 55.344 54.000 0.055 0.000 0.831 84 D CB 0.264 41.104 40.800 0.067 0.000 0.974 84 D HN 0.482 nan 8.370 nan 0.000 0.469 85 A N -0.312 122.527 122.820 0.032 0.000 2.569 85 A HA 0.605 4.823 4.320 -0.170 0.000 0.290 85 A C -1.470 176.118 177.584 0.007 0.000 1.136 85 A CA -0.568 51.479 52.037 0.017 0.000 0.710 85 A CB 2.284 21.284 19.000 0.000 0.000 1.303 85 A HN -0.057 nan 8.150 nan 0.000 0.413 86 V N 0.656 120.572 119.914 0.003 0.000 2.638 86 V HA 0.692 4.709 4.120 -0.170 0.000 0.306 86 V C -1.754 174.335 176.094 -0.008 0.000 1.052 86 V CA -0.626 61.673 62.300 -0.002 0.000 0.885 86 V CB 1.503 33.328 31.823 0.003 0.000 0.999 86 V HN 1.056 nan 8.190 nan 0.000 0.424 87 L N 9.982 131.197 121.223 -0.013 0.000 2.283 87 L HA 0.742 4.979 4.340 -0.170 0.000 0.281 87 L C -2.091 174.772 176.870 -0.011 0.000 1.033 87 L CA -1.269 53.562 54.840 -0.015 0.000 0.848 87 L CB 1.949 43.993 42.059 -0.025 0.000 1.226 87 L HN 0.544 nan 8.230 nan 0.000 0.429 88 P HA 0.123 nan 4.420 nan 0.000 0.274 88 P C 0.501 177.786 177.300 -0.025 0.000 1.352 88 P CA 0.151 63.242 63.100 -0.016 0.000 0.947 88 P CB 0.301 31.998 31.700 -0.005 0.000 1.437 89 T N -4.409 110.137 114.554 -0.012 0.000 3.122 89 T HA 0.243 4.491 4.350 -0.170 0.000 0.250 89 T C 1.099 175.805 174.700 0.009 0.000 1.067 89 T CA 0.028 62.126 62.100 -0.004 0.000 0.966 89 T CB -0.458 68.419 68.868 0.015 0.000 1.002 89 T HN -0.121 nan 8.240 nan 0.000 0.542 90 M N 1.085 120.682 119.600 -0.005 0.000 2.496 90 M HA 0.397 4.775 4.480 -0.170 0.000 0.330 90 M C 1.037 177.326 176.300 -0.019 0.000 1.133 90 M CA -0.028 55.298 55.300 0.043 0.000 0.964 90 M CB 0.897 33.525 32.600 0.048 0.000 1.401 90 M HN 0.422 nan 8.290 nan 0.000 0.520 91 G N 0.026 108.690 108.800 -0.227 0.000 4.803 91 G HA2 0.488 4.346 3.960 -0.170 0.000 0.266 91 G HA3 0.488 4.346 3.960 -0.170 0.000 0.266 91 G C 0.726 175.173 174.900 -0.755 0.000 1.111 91 G CA 0.088 44.947 45.100 -0.402 0.000 0.874 91 G HN 0.557 nan 8.290 nan 0.000 0.555 92 G N 0.943 108.915 108.800 -1.380 0.000 2.581 92 G HA2 -0.395 3.463 3.960 -0.170 0.000 0.291 92 G HA3 -0.395 3.463 3.960 -0.170 0.000 0.291 92 G C 1.037 175.695 174.900 -0.403 0.000 1.277 92 G CA 0.932 45.366 45.100 -1.111 0.000 0.959 92 G HN 0.667 nan 8.290 nan 0.000 0.554 93 Q N -1.156 118.502 119.800 -0.237 0.000 2.172 93 Q HA 0.063 4.301 4.340 -0.170 0.000 0.200 93 Q C 2.898 178.853 176.000 -0.075 0.000 0.964 93 Q CA 2.573 58.316 55.803 -0.100 0.000 0.855 93 Q CB -0.597 28.118 28.738 -0.039 0.000 0.918 93 Q HN 0.689 nan 8.270 nan 0.000 0.444 94 T N 0.173 114.661 114.554 -0.110 0.000 2.635 94 T HA -0.237 4.011 4.350 -0.170 0.000 0.267 94 T C 1.680 176.339 174.700 -0.069 0.000 1.040 94 T CA 1.604 63.659 62.100 -0.075 0.000 1.156 94 T CB -0.635 68.182 68.868 -0.084 0.000 0.863 94 T HN 0.493 nan 8.240 nan 0.000 0.430 95 A N 1.099 123.852 122.820 -0.113 0.000 1.908 95 A HA -0.038 4.180 4.320 -0.170 0.000 0.218 95 A C 2.306 179.863 177.584 -0.045 0.000 1.181 95 A CA 1.408 53.394 52.037 -0.085 0.000 0.627 95 A CB -0.863 18.068 19.000 -0.114 0.000 0.818 95 A HN 0.518 nan 8.150 nan 0.000 0.445 96 L N -0.487 120.713 121.223 -0.038 0.000 2.141 96 L HA -0.162 4.075 4.340 -0.170 0.000 0.209 96 L C 2.225 179.138 176.870 0.072 0.000 1.094 96 L CA 1.055 55.912 54.840 0.028 0.000 0.763 96 L CB -0.671 41.420 42.059 0.054 0.000 0.908 96 L HN 0.329 nan 8.230 nan 0.000 0.437 97 N N -0.436 118.294 118.700 0.050 0.000 2.171 97 N HA -0.169 4.469 4.740 -0.170 0.000 0.184 97 N C 1.936 177.424 175.510 -0.036 0.000 1.021 97 N CA 1.379 54.441 53.050 0.020 0.000 0.854 97 N CB -0.752 37.740 38.487 0.009 0.000 0.994 97 N HN 0.315 nan 8.380 nan 0.000 0.426 98 C N 1.204 120.490 119.300 -0.024 0.000 2.413 98 C HA -0.000 4.358 4.460 -0.170 0.000 0.276 98 C C 2.800 177.780 174.990 -0.016 0.000 1.236 98 C CA 1.254 60.262 59.018 -0.017 0.000 1.735 98 C CB -1.253 26.484 27.740 -0.005 0.000 2.031 98 C HN 0.484 nan 8.230 nan 0.000 0.474 99 A N -0.028 122.786 122.820 -0.010 0.000 1.892 99 A HA -0.167 4.051 4.320 -0.170 0.000 0.218 99 A C 1.946 179.516 177.584 -0.023 0.000 1.188 99 A CA 2.099 54.133 52.037 -0.005 0.000 0.631 99 A CB -0.724 18.280 19.000 0.006 0.000 0.822 99 A HN 0.586 nan 8.150 nan 0.000 0.447 100 L N -0.969 120.234 121.223 -0.034 0.000 2.291 100 L HA -0.023 4.215 4.340 -0.170 0.000 0.214 100 L C 2.290 179.068 176.870 -0.153 0.000 1.120 100 L CA 1.762 56.556 54.840 -0.077 0.000 0.799 100 L CB -0.347 41.673 42.059 -0.065 0.000 0.925 100 L HN 0.508 nan 8.230 nan 0.000 0.446 101 E N -0.208 119.891 120.200 -0.169 0.000 2.076 101 E HA -0.105 4.143 4.350 -0.170 0.000 0.190 101 E C 2.180 178.601 176.600 -0.298 0.000 0.979 101 E CA 0.976 57.205 56.400 -0.285 0.000 0.807 101 E CB -0.158 29.377 29.700 -0.275 0.000 0.761 101 E HN 0.346 nan 8.360 nan 0.000 0.454 102 L N 0.668 121.820 121.223 -0.119 0.000 2.012 102 L HA -0.218 4.020 4.340 -0.170 0.000 0.210 102 L C 2.572 179.400 176.870 -0.070 0.000 1.073 102 L CA 1.853 56.675 54.840 -0.030 0.000 0.748 102 L CB -0.541 41.545 42.059 0.045 0.000 0.891 102 L HN 0.254 nan 8.230 nan 0.000 0.431 103 E N 0.912 121.067 120.200 -0.074 0.000 2.023 103 E HA -0.300 3.948 4.350 -0.170 0.000 0.196 103 E C 2.264 178.798 176.600 -0.111 0.000 1.003 103 E CA 1.768 58.127 56.400 -0.067 0.000 0.809 103 E CB -0.283 29.384 29.700 -0.054 0.000 0.755 103 E HN 0.252 nan 8.360 nan 0.000 0.449 104 R N -0.368 120.031 120.500 -0.167 0.000 2.152 104 R HA -0.120 4.118 4.340 -0.170 0.000 0.232 104 R C 1.664 177.817 176.300 -0.244 0.000 1.117 104 R CA 1.423 57.405 56.100 -0.197 0.000 0.981 104 R CB -0.077 30.090 30.300 -0.221 0.000 0.870 104 R HN 0.260 nan 8.270 nan 0.000 0.451 105 Q N -0.214 119.379 119.800 -0.344 0.000 2.444 105 Q HA 0.059 4.297 4.340 -0.170 0.000 0.206 105 Q C 0.798 176.697 176.000 -0.168 0.000 0.948 105 Q CA 0.875 56.438 55.803 -0.400 0.000 0.946 105 Q CB 0.725 28.953 28.738 -0.849 0.000 1.027 105 Q HN 0.672 nan 8.270 nan 0.000 0.513 106 G N 0.502 109.235 108.800 -0.111 0.000 2.179 106 G HA2 -0.287 3.571 3.960 -0.170 0.000 0.257 106 G HA3 -0.287 3.571 3.960 -0.170 0.000 0.257 106 G C 0.915 175.823 174.900 0.012 0.000 1.010 106 G CA 0.475 45.545 45.100 -0.049 0.000 0.736 106 G HN 0.319 nan 8.290 nan 0.000 0.513 107 V N 0.338 120.293 119.914 0.069 0.000 2.358 107 V HA -0.110 3.908 4.120 -0.170 0.000 0.246 107 V C 2.898 179.157 176.094 0.275 0.000 1.047 107 V CA 2.170 64.610 62.300 0.234 0.000 1.035 107 V CB -0.392 31.597 31.823 0.277 0.000 0.658 107 V HN 0.531 nan 8.190 nan 0.000 0.452 108 L N -0.107 121.202 121.223 0.143 0.000 2.093 108 L HA -0.168 4.069 4.340 -0.170 0.000 0.208 108 L C 2.543 179.467 176.870 0.090 0.000 1.085 108 L CA 2.046 56.958 54.840 0.120 0.000 0.755 108 L CB -0.578 41.515 42.059 0.057 0.000 0.904 108 L HN 0.443 nan 8.230 nan 0.000 0.435 109 E N 0.548 120.770 120.200 0.037 0.000 2.112 109 E HA -0.238 4.010 4.350 -0.170 0.000 0.190 109 E C 2.087 178.654 176.600 -0.056 0.000 0.979 109 E CA 0.724 57.121 56.400 -0.005 0.000 0.814 109 E CB 0.128 29.813 29.700 -0.025 0.000 0.762 109 E HN 0.411 nan 8.360 nan 0.000 0.460 110 E N -0.546 119.595 120.200 -0.098 0.000 2.118 110 E HA -0.180 4.068 4.350 -0.170 0.000 0.195 110 E C 0.666 176.945 176.600 -0.534 0.000 0.992 110 E CA 1.096 57.293 56.400 -0.338 0.000 0.804 110 E CB -0.007 29.425 29.700 -0.446 0.000 0.741 110 E HN 0.330 nan 8.360 nan 0.000 0.458 111 F N -0.654 119.303 119.950 0.012 0.000 2.668 111 F HA 0.348 4.773 4.527 -0.170 0.000 0.301 111 F C 0.993 176.798 175.800 0.009 0.000 1.106 111 F CA 0.193 58.200 58.000 0.011 0.000 1.289 111 F CB 1.185 40.193 39.000 0.013 0.000 1.006 111 F HN 0.058 nan 8.300 nan 0.000 0.535 112 G N 1.644 110.510 108.800 0.111 0.000 2.366 112 G HA2 -0.247 3.610 3.960 -0.170 0.000 0.299 112 G HA3 -0.247 3.610 3.960 -0.170 0.000 0.299 112 G C -0.240 174.712 174.900 0.087 0.000 1.020 112 G CA 0.114 45.259 45.100 0.074 0.000 1.026 112 G HN 0.187 nan 8.290 nan 0.000 0.512 113 V N 0.645 120.619 119.914 0.100 0.000 2.406 113 V HA 0.492 4.510 4.120 -0.170 0.000 0.272 113 V C 0.903 177.026 176.094 0.048 0.000 1.043 113 V CA -0.206 62.140 62.300 0.076 0.000 0.915 113 V CB 1.482 33.353 31.823 0.080 0.000 0.988 113 V HN 0.367 nan 8.190 nan 0.000 0.466 114 T N 6.530 121.106 114.554 0.037 0.000 2.845 114 T HA 0.385 4.633 4.350 -0.170 0.000 0.288 114 T C 0.001 174.711 174.700 0.016 0.000 0.980 114 T CA -0.234 61.881 62.100 0.024 0.000 1.071 114 T CB 0.875 69.756 68.868 0.022 0.000 0.941 114 T HN 0.583 nan 8.240 nan 0.000 0.487 115 M N 5.292 124.900 119.600 0.013 0.000 2.105 115 M HA 0.417 4.795 4.480 -0.170 0.000 0.350 115 M C -0.404 175.899 176.300 0.004 0.000 1.308 115 M CA -0.430 54.875 55.300 0.009 0.000 1.108 115 M CB -0.090 32.517 32.600 0.011 0.000 1.622 115 M HN 0.608 nan 8.290 nan 0.000 0.468 116 I N 0.368 120.936 120.570 -0.003 0.000 2.982 116 I HA 0.917 4.985 4.170 -0.170 0.000 0.312 116 I C 0.781 176.895 176.117 -0.005 0.000 1.041 116 I CA -0.261 61.034 61.300 -0.009 0.000 1.053 116 I CB 1.760 39.744 38.000 -0.028 0.000 1.248 116 I HN 0.812 nan 8.210 nan 0.000 0.471 117 G N 2.696 111.496 108.800 0.000 0.000 3.329 117 G HA2 -0.096 3.762 3.960 -0.170 0.000 0.220 117 G HA3 -0.096 3.762 3.960 -0.170 0.000 0.220 117 G C 0.159 175.068 174.900 0.016 0.000 1.358 117 G CA 0.366 45.472 45.100 0.009 0.000 0.856 117 G HN 1.803 nan 8.290 nan 0.000 0.551 118 A N -0.285 122.543 122.820 0.014 0.000 2.517 118 A HA 0.864 5.081 4.320 -0.170 0.000 0.297 118 A C 0.038 177.632 177.584 0.017 0.000 1.050 118 A CA 0.968 53.016 52.037 0.017 0.000 0.694 118 A CB 0.992 20.003 19.000 0.018 0.000 1.277 118 A HN 1.959 nan 8.150 nan 0.000 0.400 119 T N -0.403 114.162 114.554 0.019 0.000 2.849 119 T HA 0.541 4.788 4.350 -0.170 0.000 0.284 119 T C 1.443 176.159 174.700 0.027 0.000 1.004 119 T CA 0.227 62.339 62.100 0.020 0.000 1.021 119 T CB 1.298 70.177 68.868 0.018 0.000 1.013 119 T HN 1.747 nan 8.240 nan 0.000 0.527 120 A N 0.715 123.551 122.820 0.027 0.000 1.940 120 A HA -0.099 4.118 4.320 -0.170 0.000 0.219 120 A C 1.994 179.610 177.584 0.052 0.000 1.176 120 A CA 2.162 54.222 52.037 0.039 0.000 0.631 120 A CB -1.278 17.735 19.000 0.023 0.000 0.814 120 A HN 1.044 nan 8.150 nan 0.000 0.446 121 D N -0.703 119.720 120.400 0.038 0.000 2.149 121 D HA 0.071 4.609 4.640 -0.170 0.000 0.201 121 D C 1.972 178.299 176.300 0.045 0.000 0.972 121 D CA 1.276 55.301 54.000 0.042 0.000 0.835 121 D CB -0.150 40.666 40.800 0.027 0.000 0.966 121 D HN 0.331 nan 8.370 nan 0.000 0.476 122 A N 0.153 122.994 122.820 0.036 0.000 1.898 122 A HA -0.069 4.148 4.320 -0.170 0.000 0.216 122 A C 2.321 179.925 177.584 0.034 0.000 1.181 122 A CA 0.913 52.970 52.037 0.033 0.000 0.620 122 A CB -0.757 18.259 19.000 0.027 0.000 0.819 122 A HN 0.363 nan 8.150 nan 0.000 0.442 123 I N -0.281 120.311 120.570 0.037 0.000 2.208 123 I HA -0.270 3.797 4.170 -0.170 0.000 0.245 123 I C 2.249 178.374 176.117 0.013 0.000 1.097 123 I CA 2.082 63.397 61.300 0.026 0.000 1.363 123 I CB -0.288 37.749 38.000 0.061 0.000 1.051 123 I HN 0.457 nan 8.210 nan 0.000 0.413 124 D N 0.518 120.984 120.400 0.110 0.000 2.224 124 D HA -0.199 4.339 4.640 -0.170 0.000 0.205 124 D C 2.173 178.521 176.300 0.081 0.000 0.965 124 D CA 0.971 55.084 54.000 0.187 0.000 0.852 124 D CB 0.075 41.015 40.800 0.234 0.000 0.947 124 D HN 0.059 nan 8.370 nan 0.000 0.494 125 K N -0.634 119.804 120.400 0.063 0.000 2.211 125 K HA 0.009 4.227 4.320 -0.170 0.000 0.203 125 K C 1.730 178.398 176.600 0.114 0.000 1.050 125 K CA 1.030 57.359 56.287 0.070 0.000 0.945 125 K CB 0.034 32.565 32.500 0.052 0.000 0.732 125 K HN 0.172 nan 8.250 nan 0.000 0.451 126 A N 0.299 123.157 122.820 0.064 0.000 2.044 126 A HA 0.026 4.244 4.320 -0.170 0.000 0.213 126 A C 1.593 179.068 177.584 -0.183 0.000 1.169 126 A CA 0.463 52.544 52.037 0.072 0.000 0.724 126 A CB 0.045 19.041 19.000 -0.006 0.000 0.840 126 A HN 0.157 nan 8.150 nan 0.000 0.463 127 E N 0.636 120.617 120.200 -0.364 0.000 2.170 127 E HA -0.061 4.187 4.350 -0.170 0.000 0.191 127 E C -0.051 176.219 176.600 -0.549 0.000 0.981 127 E CA 0.249 56.181 56.400 -0.780 0.000 0.830 127 E CB -0.187 28.439 29.700 -1.789 0.000 0.775 127 E HN 0.541 nan 8.360 nan 0.000 0.470 128 D N 1.569 121.846 120.400 -0.205 0.000 2.344 128 D HA -0.012 4.525 4.640 -0.170 0.000 0.253 128 D C 0.994 177.328 176.300 0.056 0.000 1.255 128 D CA -0.060 53.980 54.000 0.065 0.000 0.894 128 D CB 0.539 41.446 40.800 0.178 0.000 1.067 128 D HN -0.079 nan 8.370 nan 0.000 0.492 129 R N 3.554 124.076 120.500 0.037 0.000 2.127 129 R HA -0.171 4.067 4.340 -0.170 0.000 0.238 129 R C 2.076 178.446 176.300 0.116 0.000 1.134 129 R CA 0.672 56.806 56.100 0.057 0.000 0.975 129 R CB -0.239 30.065 30.300 0.006 0.000 0.865 129 R HN 0.510 nan 8.270 nan 0.000 0.447 130 R N 1.277 121.836 120.500 0.098 0.000 2.070 130 R HA -0.098 4.140 4.340 -0.170 0.000 0.233 130 R C 2.376 178.725 176.300 0.082 0.000 1.137 130 R CA 1.473 57.625 56.100 0.086 0.000 0.945 130 R CB -0.050 30.309 30.300 0.098 0.000 0.845 130 R HN 0.172 nan 8.270 nan 0.000 0.430 131 R N -0.635 119.921 120.500 0.093 0.000 2.081 131 R HA -0.169 4.069 4.340 -0.170 0.000 0.235 131 R C 2.261 178.593 176.300 0.053 0.000 1.131 131 R CA 1.653 57.793 56.100 0.066 0.000 0.960 131 R CB -0.543 29.803 30.300 0.077 0.000 0.856 131 R HN 0.245 nan 8.270 nan 0.000 0.436 132 F N 2.038 121.969 119.950 -0.032 0.000 2.126 132 F HA -0.239 4.186 4.527 -0.169 0.000 0.299 132 F C 1.866 177.642 175.800 -0.040 0.000 1.096 132 F CA 1.998 59.969 58.000 -0.048 0.000 1.255 132 F CB -0.316 38.641 39.000 -0.072 0.000 0.997 132 F HN -0.016 nan 8.300 nan 0.000 0.479 133 D N -0.630 119.814 120.400 0.074 0.000 2.144 133 D HA -0.167 4.371 4.640 -0.170 0.000 0.199 133 D C 2.203 178.437 176.300 -0.109 0.000 0.984 133 D CA 1.325 55.316 54.000 -0.015 0.000 0.834 133 D CB -0.057 40.773 40.800 0.051 0.000 0.955 133 D HN 0.180 nan 8.370 nan 0.000 0.465 134 V N 0.454 120.319 119.914 -0.082 0.000 2.358 134 V HA -0.195 3.822 4.120 -0.170 0.000 0.246 134 V C 2.447 178.462 176.094 -0.131 0.000 1.047 134 V CA 1.657 63.910 62.300 -0.079 0.000 1.035 134 V CB -0.701 31.099 31.823 -0.038 0.000 0.658 134 V HN 0.331 nan 8.190 nan 0.000 0.452 135 A N -0.553 122.145 122.820 -0.203 0.000 1.902 135 A HA -0.221 3.997 4.320 -0.170 0.000 0.217 135 A C 2.200 179.625 177.584 -0.265 0.000 1.181 135 A CA 1.957 53.852 52.037 -0.238 0.000 0.623 135 A CB -0.453 18.362 19.000 -0.308 0.000 0.818 135 A HN 0.401 nan 8.150 nan 0.000 0.443 136 M N -0.329 119.048 119.600 -0.372 0.000 2.175 136 M HA -0.088 4.289 4.480 -0.170 0.000 0.264 136 M C 2.041 178.255 176.300 -0.143 0.000 1.063 136 M CA 1.777 56.908 55.300 -0.281 0.000 1.119 136 M CB -1.134 31.289 32.600 -0.294 0.000 1.377 136 M HN 0.579 nan 8.290 nan 0.000 0.415 137 K N 0.729 121.056 120.400 -0.121 0.000 2.057 137 K HA -0.206 4.011 4.320 -0.170 0.000 0.206 137 K C 2.095 178.659 176.600 -0.061 0.000 1.050 137 K CA 1.533 57.778 56.287 -0.069 0.000 0.935 137 K CB -0.080 32.388 32.500 -0.053 0.000 0.715 137 K HN 0.231 nan 8.250 nan 0.000 0.439 138 K N 1.355 121.710 120.400 -0.074 0.000 2.103 138 K HA -0.149 4.068 4.320 -0.170 0.000 0.207 138 K C 1.705 178.273 176.600 -0.052 0.000 1.048 138 K CA 1.873 58.125 56.287 -0.059 0.000 0.930 138 K CB -0.268 32.194 32.500 -0.063 0.000 0.716 138 K HN 0.449 nan 8.250 nan 0.000 0.444 139 I N -3.030 117.501 120.570 -0.065 0.000 3.855 139 I HA 0.381 4.448 4.170 -0.170 0.000 0.327 139 I C 0.589 176.687 176.117 -0.031 0.000 1.359 139 I CA 0.089 61.361 61.300 -0.046 0.000 1.142 139 I CB 0.282 38.252 38.000 -0.050 0.000 1.041 139 I HN 0.242 nan 8.210 nan 0.000 0.403 140 G N 2.061 110.843 108.800 -0.030 0.000 2.198 140 G HA2 -0.248 3.610 3.960 -0.170 0.000 0.260 140 G HA3 -0.248 3.610 3.960 -0.170 0.000 0.260 140 G C -0.104 174.795 174.900 -0.002 0.000 1.025 140 G CA 0.278 45.369 45.100 -0.014 0.000 0.769 140 G HN 0.468 nan 8.290 nan 0.000 0.507 141 L N -0.381 120.837 121.223 -0.009 0.000 2.322 141 L HA 0.590 4.828 4.340 -0.170 0.000 0.279 141 L C 0.662 177.546 176.870 0.023 0.000 1.036 141 L CA -0.868 53.986 54.840 0.023 0.000 0.807 141 L CB 1.620 43.701 42.059 0.037 0.000 1.226 141 L HN 0.254 nan 8.230 nan 0.000 0.433 142 E N 1.191 121.427 120.200 0.061 0.000 2.283 142 E HA 0.330 4.577 4.350 -0.170 0.000 0.278 142 E C -0.755 175.886 176.600 0.067 0.000 1.027 142 E CA -0.393 56.045 56.400 0.062 0.000 0.843 142 E CB 1.216 30.972 29.700 0.093 0.000 1.062 142 E HN 0.656 nan 8.360 nan 0.000 0.401 143 T N 0.228 114.806 114.554 0.040 0.000 2.930 143 T HA 0.731 4.979 4.350 -0.170 0.000 0.290 143 T C -0.149 174.556 174.700 0.008 0.000 1.052 143 T CA -0.870 61.251 62.100 0.035 0.000 1.017 143 T CB 1.570 70.462 68.868 0.041 0.000 1.137 143 T HN 0.467 nan 8.240 nan 0.000 0.511 144 A N 1.523 124.329 122.820 -0.023 0.000 2.386 144 A HA 0.514 4.732 4.320 -0.170 0.000 0.248 144 A C 0.712 178.270 177.584 -0.043 0.000 1.082 144 A CA -0.647 51.351 52.037 -0.065 0.000 0.789 144 A CB 0.010 18.939 19.000 -0.117 0.000 1.025 144 A HN 0.900 nan 8.150 nan 0.000 0.490 145 R N 0.622 121.092 120.500 -0.049 0.000 2.502 145 R HA 0.228 4.466 4.340 -0.170 0.000 0.292 145 R C -0.267 176.008 176.300 -0.041 0.000 0.998 145 R CA 1.090 57.167 56.100 -0.038 0.000 1.056 145 R CB -0.013 30.261 30.300 -0.043 0.000 0.939 145 R HN 0.946 nan 8.270 nan 0.000 0.411 146 S N 1.304 116.987 115.700 -0.029 0.000 2.688 146 S HA 0.795 5.162 4.470 -0.170 0.000 0.275 146 S C -0.569 174.019 174.600 -0.020 0.000 1.175 146 S CA -0.828 57.357 58.200 -0.025 0.000 0.818 146 S CB 2.133 65.325 63.200 -0.014 0.000 1.157 146 S HN 0.658 nan 8.310 nan 0.000 0.482 147 G N -0.061 108.729 108.800 -0.017 0.000 2.746 147 G HA2 0.601 4.459 3.960 -0.170 0.000 0.297 147 G HA3 0.601 4.459 3.960 -0.170 0.000 0.297 147 G C -1.373 173.508 174.900 -0.031 0.000 1.426 147 G CA -0.677 44.411 45.100 -0.019 0.000 0.989 147 G HN 0.578 nan 8.290 nan 0.000 0.520 148 I N 0.927 121.465 120.570 -0.053 0.000 2.499 148 I HA 0.670 4.737 4.170 -0.170 0.000 0.296 148 I C 0.524 176.510 176.117 -0.218 0.000 0.992 148 I CA -0.552 60.670 61.300 -0.130 0.000 1.297 148 I CB 1.490 39.417 38.000 -0.121 0.000 1.410 148 I HN 0.655 nan 8.210 nan 0.000 0.507 149 A N 4.617 127.230 122.820 -0.346 0.000 2.515 149 A HA 0.658 4.876 4.320 -0.170 0.000 0.298 149 A C -0.650 176.612 177.584 -0.537 0.000 1.059 149 A CA -0.416 51.428 52.037 -0.322 0.000 0.698 149 A CB 0.997 19.941 19.000 -0.093 0.000 1.289 149 A HN 0.864 nan 8.150 nan 0.000 0.404 150 H N -0.097 118.990 119.070 0.028 0.000 3.170 150 H HA 0.269 4.723 4.556 -0.170 0.000 0.264 150 H C 0.378 175.718 175.328 0.020 0.000 1.113 150 H CA 0.841 56.901 56.048 0.020 0.000 1.194 150 H CB 1.174 30.947 29.762 0.018 0.000 1.553 150 H HN 0.763 nan 8.280 nan 0.000 0.538 151 T N -2.893 111.723 114.554 0.103 0.000 2.900 151 T HA 0.191 4.439 4.350 -0.170 0.000 0.303 151 T C 0.865 175.600 174.700 0.058 0.000 1.142 151 T CA -0.938 61.209 62.100 0.077 0.000 1.007 151 T CB 2.009 70.926 68.868 0.082 0.000 1.156 151 T HN -0.029 nan 8.240 nan 0.000 0.490 152 M N 1.166 120.799 119.600 0.056 0.000 2.149 152 M HA -0.032 4.346 4.480 -0.170 0.000 0.261 152 M C 2.057 178.421 176.300 0.106 0.000 1.064 152 M CA 2.005 57.346 55.300 0.069 0.000 1.102 152 M CB -0.846 31.792 32.600 0.064 0.000 1.369 152 M HN 0.897 nan 8.290 nan 0.000 0.408 153 E N -0.266 119.984 120.200 0.084 0.000 2.077 153 E HA -0.246 4.002 4.350 -0.170 0.000 0.193 153 E C 1.791 178.437 176.600 0.077 0.000 0.989 153 E CA 1.687 58.134 56.400 0.078 0.000 0.800 153 E CB -0.209 29.526 29.700 0.059 0.000 0.746 153 E HN 0.717 nan 8.360 nan 0.000 0.452 154 E N 0.207 120.449 120.200 0.070 0.000 2.110 154 E HA -0.168 4.080 4.350 -0.170 0.000 0.193 154 E C 2.030 178.673 176.600 0.073 0.000 0.988 154 E CA 0.907 57.340 56.400 0.055 0.000 0.804 154 E CB -0.123 29.601 29.700 0.041 0.000 0.745 154 E HN 0.361 nan 8.360 nan 0.000 0.458 155 A N 1.248 124.136 122.820 0.113 0.000 1.865 155 A HA -0.203 4.014 4.320 -0.170 0.000 0.217 155 A C 2.201 179.984 177.584 0.332 0.000 1.191 155 A CA 1.250 53.423 52.037 0.227 0.000 0.623 155 A CB -0.857 18.256 19.000 0.188 0.000 0.826 155 A HN 0.157 nan 8.150 nan 0.000 0.444 156 L N -0.715 120.694 121.223 0.310 0.000 2.081 156 L HA -0.286 3.951 4.340 -0.170 0.000 0.212 156 L C 3.053 179.905 176.870 -0.031 0.000 1.080 156 L CA 1.310 56.238 54.840 0.148 0.000 0.754 156 L CB -0.483 41.660 42.059 0.140 0.000 0.893 156 L HN 0.473 nan 8.230 nan 0.000 0.433 157 A N -0.730 122.096 122.820 0.010 0.000 1.930 157 A HA -0.111 4.106 4.320 -0.170 0.000 0.217 157 A C 2.309 179.852 177.584 -0.069 0.000 1.175 157 A CA 1.538 53.554 52.037 -0.035 0.000 0.627 157 A CB -0.699 18.297 19.000 -0.007 0.000 0.815 157 A HN 0.191 nan 8.150 nan 0.000 0.443 158 V N 0.020 119.915 119.914 -0.032 0.000 2.343 158 V HA -0.256 3.762 4.120 -0.170 0.000 0.247 158 V C 3.056 179.063 176.094 -0.145 0.000 1.051 158 V CA 1.887 64.156 62.300 -0.052 0.000 1.036 158 V CB -1.309 30.515 31.823 0.002 0.000 0.654 158 V HN 0.603 nan 8.190 nan 0.000 0.451 159 A N 0.248 122.924 122.820 -0.240 0.000 1.908 159 A HA -0.176 4.042 4.320 -0.170 0.000 0.218 159 A C 2.423 179.679 177.584 -0.546 0.000 1.181 159 A CA 2.172 53.885 52.037 -0.540 0.000 0.627 159 A CB -0.861 17.471 19.000 -1.114 0.000 0.818 159 A HN 0.612 nan 8.150 nan 0.000 0.445 160 A N -0.512 122.074 122.820 -0.390 0.000 2.076 160 A HA -0.185 4.033 4.320 -0.170 0.000 0.220 160 A C 1.782 179.226 177.584 -0.234 0.000 1.160 160 A CA 2.240 54.097 52.037 -0.300 0.000 0.653 160 A CB -0.536 18.356 19.000 -0.180 0.000 0.801 160 A HN 0.615 nan 8.150 nan 0.000 0.455 161 D N -0.792 119.487 120.400 -0.202 0.000 2.197 161 D HA -0.078 4.460 4.640 -0.170 0.000 0.212 161 D C 1.817 178.024 176.300 -0.154 0.000 0.963 161 D CA 1.695 55.608 54.000 -0.145 0.000 0.864 161 D CB 0.020 40.760 40.800 -0.101 0.000 1.009 161 D HN 0.346 nan 8.370 nan 0.000 0.479 162 V N -2.582 117.220 119.914 -0.186 0.000 3.506 162 V HA 0.448 4.466 4.120 -0.170 0.000 0.263 162 V C 1.175 177.145 176.094 -0.207 0.000 1.203 162 V CA 0.522 62.725 62.300 -0.163 0.000 1.133 162 V CB -0.794 30.956 31.823 -0.122 0.000 0.802 162 V HN 0.327 nan 8.190 nan 0.000 0.459 163 G N 0.290 108.883 108.800 -0.346 0.000 2.846 163 G HA2 -0.213 3.645 3.960 -0.170 0.000 0.660 163 G HA3 -0.213 3.645 3.960 -0.170 0.000 0.660 163 G C -0.687 173.955 174.900 -0.430 0.000 1.464 163 G CA -0.108 44.732 45.100 -0.433 0.000 0.891 163 G HN 0.562 nan 8.290 nan 0.000 0.552 164 F N 1.515 121.417 119.950 -0.079 0.000 2.399 164 F HA 0.547 4.972 4.527 -0.169 0.000 0.334 164 F C -0.827 174.964 175.800 -0.015 0.000 1.097 164 F CA -1.474 56.490 58.000 -0.060 0.000 1.076 164 F CB 1.604 40.587 39.000 -0.029 0.000 1.162 164 F HN 0.443 nan 8.300 nan 0.000 0.495 165 P HA 0.367 nan 4.420 nan 0.000 0.279 165 P C -1.235 176.094 177.300 0.048 0.000 1.252 165 P CA -0.550 62.604 63.100 0.090 0.000 0.811 165 P CB 1.161 32.745 31.700 -0.193 0.000 1.035 166 C N -0.194 119.152 119.300 0.077 0.000 2.994 166 C HA 0.759 5.117 4.460 -0.170 0.000 0.304 166 C C -0.518 174.486 174.990 0.023 0.000 1.273 166 C CA -0.969 58.075 59.018 0.043 0.000 1.537 166 C CB 0.148 27.921 27.740 0.054 0.000 2.001 166 C HN 0.383 nan 8.230 nan 0.000 0.471 167 I N 2.022 122.591 120.570 -0.002 0.000 2.359 167 I HA 0.499 4.567 4.170 -0.170 0.000 0.294 167 I C 0.006 176.131 176.117 0.014 0.000 0.987 167 I CA -0.509 60.783 61.300 -0.014 0.000 1.225 167 I CB 1.136 39.111 38.000 -0.041 0.000 1.366 167 I HN 0.573 nan 8.210 nan 0.000 0.466 168 I N 6.865 127.437 120.570 0.003 0.000 2.339 168 I HA 0.445 4.513 4.170 -0.170 0.000 0.290 168 I C -0.084 176.015 176.117 -0.030 0.000 0.994 168 I CA -0.437 60.855 61.300 -0.014 0.000 1.191 168 I CB 0.599 38.561 38.000 -0.062 0.000 1.343 168 I HN 0.392 nan 8.210 nan 0.000 0.458 169 R N 7.038 127.519 120.500 -0.030 0.000 2.422 169 R HA 0.419 4.656 4.340 -0.170 0.000 0.307 169 R C -2.679 173.601 176.300 -0.033 0.000 1.004 169 R CA -1.805 54.274 56.100 -0.034 0.000 0.882 169 R CB 1.522 31.797 30.300 -0.041 0.000 1.164 169 R HN 0.230 nan 8.270 nan 0.000 0.489 170 P HA 0.066 nan 4.420 nan 0.000 0.272 170 P C -0.350 176.953 177.300 0.005 0.000 1.230 170 P CA -0.234 62.861 63.100 -0.009 0.000 0.788 170 P CB 0.841 32.540 31.700 -0.001 0.000 0.949 171 S N 1.054 116.784 115.700 0.051 0.000 2.565 171 S HA 0.342 4.710 4.470 -0.170 0.000 0.274 171 S C -0.062 174.653 174.600 0.192 0.000 1.309 171 S CA -0.067 58.184 58.200 0.085 0.000 1.043 171 S CB -0.891 62.420 63.200 0.184 0.000 0.939 171 S HN 0.443 nan 8.310 nan 0.000 0.504 172 F N 0.362 120.294 119.950 -0.030 0.000 3.058 172 F HA -0.221 4.203 4.527 -0.171 0.000 0.295 172 F C 0.777 176.554 175.800 -0.037 0.000 0.875 172 F CA 0.864 58.844 58.000 -0.033 0.000 1.150 172 F CB -1.974 37.009 39.000 -0.027 0.000 1.175 172 F HN 0.626 nan 8.300 nan 0.000 0.599 173 T N -1.695 112.884 114.554 0.042 0.000 2.883 173 T HA 0.850 5.098 4.350 -0.170 0.000 0.301 173 T C -0.327 174.358 174.700 -0.026 0.000 1.158 173 T CA -0.311 61.798 62.100 0.015 0.000 1.007 173 T CB 2.817 71.689 68.868 0.008 0.000 1.186 173 T HN 0.467 nan 8.240 nan 0.000 0.499 174 M N 0.090 119.679 119.600 -0.018 0.000 2.704 174 M HA 0.875 5.252 4.480 -0.170 0.000 0.284 174 M C 0.866 177.153 176.300 -0.022 0.000 1.275 174 M CA 0.371 55.671 55.300 -0.001 0.000 0.811 174 M CB 0.562 33.168 32.600 0.010 0.000 1.741 174 M HN 1.590 nan 8.290 nan 0.000 0.458 175 G N -0.712 108.085 108.800 -0.005 0.000 2.166 175 G HA2 0.157 4.015 3.960 -0.170 0.000 0.260 175 G HA3 0.157 4.015 3.960 -0.170 0.000 0.260 175 G C 1.163 175.745 174.900 -0.530 0.000 0.986 175 G CA 0.895 45.808 45.100 -0.311 0.000 0.683 175 G HN 2.559 nan 8.290 nan 0.000 0.527 176 G N -1.596 107.068 108.800 -0.227 0.000 2.155 176 G HA2 -0.086 3.772 3.960 -0.170 0.000 0.257 176 G HA3 -0.086 3.772 3.960 -0.170 0.000 0.257 176 G C 0.537 175.374 174.900 -0.105 0.000 0.983 176 G CA 0.803 45.837 45.100 -0.110 0.000 0.676 176 G HN 1.807 nan 8.290 nan 0.000 0.528 177 S N 0.240 115.875 115.700 -0.109 0.000 2.546 177 S HA 0.413 4.781 4.470 -0.170 0.000 0.290 177 S C 1.680 176.240 174.600 -0.067 0.000 1.262 177 S CA 1.306 59.450 58.200 -0.092 0.000 1.083 177 S CB 0.714 63.869 63.200 -0.075 0.000 0.859 177 S HN 2.116 nan 8.310 nan 0.000 0.495 178 G N 2.509 111.264 108.800 -0.075 0.000 2.179 178 G HA2 -0.173 3.685 3.960 -0.170 0.000 0.260 178 G HA3 -0.173 3.685 3.960 -0.170 0.000 0.260 178 G C 0.332 175.193 174.900 -0.065 0.000 0.977 178 G CA 0.002 45.063 45.100 -0.065 0.000 0.641 178 G HN 1.097 nan 8.290 nan 0.000 0.533 179 G N -1.543 107.222 108.800 -0.058 0.000 3.075 179 G HA2 1.051 4.909 3.960 -0.170 0.000 0.253 179 G HA3 1.051 4.909 3.960 -0.170 0.000 0.253 179 G C 0.234 175.108 174.900 -0.043 0.000 1.353 179 G CA 0.277 45.346 45.100 -0.051 0.000 1.051 179 G HN 1.783 nan 8.290 nan 0.000 0.553 180 G N -1.802 106.978 108.800 -0.032 0.000 2.324 180 G HA2 0.395 4.252 3.960 -0.170 0.000 0.293 180 G HA3 0.395 4.252 3.960 -0.170 0.000 0.293 180 G C -1.793 173.082 174.900 -0.041 0.000 1.297 180 G CA -0.835 44.252 45.100 -0.022 0.000 0.853 180 G HN 0.687 nan 8.290 nan 0.000 0.535 181 I N 1.319 121.848 120.570 -0.068 0.000 2.339 181 I HA 0.592 4.660 4.170 -0.170 0.000 0.290 181 I C 0.663 176.612 176.117 -0.280 0.000 0.994 181 I CA -0.628 60.556 61.300 -0.193 0.000 1.191 181 I CB 1.887 39.708 38.000 -0.298 0.000 1.343 181 I HN 0.748 nan 8.210 nan 0.000 0.458 182 A N 5.684 128.393 122.820 -0.184 0.000 2.260 182 A HA 0.446 4.663 4.320 -0.170 0.000 0.308 182 A C -0.305 177.087 177.584 -0.319 0.000 1.254 182 A CA -0.208 51.759 52.037 -0.117 0.000 0.874 182 A CB 0.037 19.205 19.000 0.280 0.000 1.153 182 A HN 0.739 nan 8.150 nan 0.000 0.527 183 Y N 1.636 121.847 120.300 -0.147 0.000 2.510 183 Y HA 0.099 4.546 4.550 -0.172 0.000 0.273 183 Y C 0.906 176.515 175.900 -0.485 0.000 1.119 183 Y CA 0.810 58.807 58.100 -0.171 0.000 1.286 183 Y CB 0.183 38.590 38.460 -0.087 0.000 1.061 183 Y HN 0.920 nan 8.280 nan 0.000 0.542 184 N N -2.741 115.510 118.700 -0.748 0.000 3.020 184 N HA 0.193 4.831 4.740 -0.170 0.000 0.248 184 N C 0.278 175.196 175.510 -0.986 0.000 1.480 184 N CA -0.982 51.463 53.050 -1.009 0.000 0.874 184 N CB 0.647 38.941 38.487 -0.321 0.000 1.433 184 N HN -0.219 nan 8.380 nan 0.000 0.530 185 R N -0.025 120.161 120.500 -0.524 0.000 2.091 185 R HA -0.155 4.083 4.340 -0.170 0.000 0.238 185 R C 1.356 177.699 176.300 0.072 0.000 1.136 185 R CA 1.913 57.992 56.100 -0.035 0.000 0.959 185 R CB -0.267 30.108 30.300 0.124 0.000 0.856 185 R HN 0.828 nan 8.270 nan 0.000 0.437 186 E N 0.473 120.670 120.200 -0.005 0.000 2.033 186 E HA -0.257 3.991 4.350 -0.170 0.000 0.199 186 E C 1.772 178.386 176.600 0.024 0.000 1.011 186 E CA 2.046 58.457 56.400 0.019 0.000 0.815 186 E CB -0.009 29.689 29.700 -0.003 0.000 0.755 186 E HN 0.442 nan 8.360 nan 0.000 0.451 187 E N -0.396 119.797 120.200 -0.013 0.000 2.085 187 E HA -0.206 4.042 4.350 -0.170 0.000 0.194 187 E C 1.905 178.514 176.600 0.015 0.000 0.994 187 E CA 1.140 57.535 56.400 -0.008 0.000 0.801 187 E CB -0.277 29.413 29.700 -0.017 0.000 0.743 187 E HN 0.321 nan 8.360 nan 0.000 0.453 188 F N 2.027 121.906 119.950 -0.118 0.000 2.095 188 F HA -0.240 4.185 4.527 -0.170 0.000 0.298 188 F C 2.141 177.949 175.800 0.014 0.000 1.104 188 F CA 1.668 59.654 58.000 -0.023 0.000 1.232 188 F CB 0.113 39.147 39.000 0.058 0.000 0.987 188 F HN -0.055 nan 8.300 nan 0.000 0.475 189 E N -0.204 120.029 120.200 0.055 0.000 2.106 189 E HA -0.258 3.989 4.350 -0.170 0.000 0.192 189 E C 2.183 178.717 176.600 -0.110 0.000 0.984 189 E CA 1.202 57.578 56.400 -0.038 0.000 0.806 189 E CB -0.338 29.420 29.700 0.096 0.000 0.750 189 E HN 0.587 nan 8.360 nan 0.000 0.458 190 E N 1.023 121.179 120.200 -0.073 0.000 2.038 190 E HA -0.215 4.033 4.350 -0.170 0.000 0.195 190 E C 2.150 178.682 176.600 -0.113 0.000 1.000 190 E CA 1.048 57.405 56.400 -0.071 0.000 0.803 190 E CB -0.067 29.608 29.700 -0.042 0.000 0.750 190 E HN 0.209 nan 8.360 nan 0.000 0.448 191 I N 0.670 121.151 120.570 -0.148 0.000 2.179 191 I HA -0.340 3.727 4.170 -0.170 0.000 0.242 191 I C 2.775 178.762 176.117 -0.217 0.000 1.088 191 I CA 0.916 62.117 61.300 -0.165 0.000 1.357 191 I CB -0.327 37.574 38.000 -0.165 0.000 1.051 191 I HN 0.324 nan 8.210 nan 0.000 0.409 192 C N 0.747 119.831 119.300 -0.360 0.000 2.413 192 C HA -0.174 4.183 4.460 -0.170 0.000 0.276 192 C C 3.200 178.083 174.990 -0.179 0.000 1.248 192 C CA 0.926 59.739 59.018 -0.341 0.000 1.742 192 C CB -1.322 26.090 27.740 -0.546 0.000 2.017 192 C HN 0.613 nan 8.230 nan 0.000 0.481 193 A N 0.494 123.230 122.820 -0.139 0.000 1.877 193 A HA -0.239 3.978 4.320 -0.170 0.000 0.216 193 A C 2.228 179.772 177.584 -0.068 0.000 1.186 193 A CA 2.000 53.994 52.037 -0.072 0.000 0.620 193 A CB -0.671 18.302 19.000 -0.045 0.000 0.822 193 A HN 0.643 nan 8.150 nan 0.000 0.443 194 R N -0.648 119.800 120.500 -0.087 0.000 2.083 194 R HA -0.116 4.121 4.340 -0.170 0.000 0.237 194 R C 2.254 178.514 176.300 -0.066 0.000 1.137 194 R CA 1.809 57.861 56.100 -0.080 0.000 0.951 194 R CB -0.766 29.481 30.300 -0.088 0.000 0.851 194 R HN 0.456 nan 8.270 nan 0.000 0.434 195 G N 0.737 109.490 108.800 -0.078 0.000 2.421 195 G HA2 -0.235 3.623 3.960 -0.170 0.000 0.216 195 G HA3 -0.235 3.623 3.960 -0.170 0.000 0.216 195 G C 1.449 176.326 174.900 -0.038 0.000 1.171 195 G CA 0.709 45.771 45.100 -0.063 0.000 0.775 195 G HN 0.263 nan 8.290 nan 0.000 0.543 196 L N 0.066 121.265 121.223 -0.040 0.000 2.131 196 L HA -0.054 4.183 4.340 -0.170 0.000 0.210 196 L C 2.435 179.309 176.870 0.007 0.000 1.092 196 L CA 1.462 56.296 54.840 -0.010 0.000 0.759 196 L CB -0.193 41.861 42.059 -0.008 0.000 0.903 196 L HN 0.232 nan 8.230 nan 0.000 0.435 197 D N -0.675 119.724 120.400 -0.001 0.000 2.249 197 D HA -0.143 4.394 4.640 -0.170 0.000 0.205 197 D C 1.981 178.286 176.300 0.008 0.000 0.962 197 D CA 0.349 54.355 54.000 0.011 0.000 0.860 197 D CB 0.326 41.133 40.800 0.012 0.000 0.955 197 D HN 0.071 nan 8.370 nan 0.000 0.505 198 L N -0.004 121.216 121.223 -0.005 0.000 2.131 198 L HA 0.190 4.427 4.340 -0.170 0.000 0.206 198 L C 0.734 177.609 176.870 0.009 0.000 1.087 198 L CA 0.587 55.425 54.840 -0.004 0.000 0.767 198 L CB -0.467 41.579 42.059 -0.020 0.000 0.917 198 L HN -0.141 nan 8.230 nan 0.000 0.441 199 S N 0.223 115.934 115.700 0.017 0.000 2.544 199 S HA 0.065 4.433 4.470 -0.170 0.000 0.290 199 S C -1.437 173.180 174.600 0.029 0.000 1.276 199 S CA -0.910 57.316 58.200 0.044 0.000 1.075 199 S CB 0.496 63.729 63.200 0.055 0.000 0.849 199 S HN 0.130 nan 8.310 nan 0.000 0.494 200 P HA -0.014 nan 4.420 nan 0.000 0.222 200 P C 0.984 178.217 177.300 -0.113 0.000 1.147 200 P CA 1.010 64.070 63.100 -0.068 0.000 0.790 200 P CB -0.088 31.531 31.700 -0.136 0.000 0.780 201 T N -5.153 109.371 114.554 -0.051 0.000 3.129 201 T HA 0.194 4.442 4.350 -0.170 0.000 0.267 201 T C 0.639 175.366 174.700 0.046 0.000 1.018 201 T CA -0.578 61.501 62.100 -0.035 0.000 0.903 201 T CB -0.544 68.329 68.868 0.008 0.000 1.067 201 T HN -0.069 nan 8.240 nan 0.000 0.549 202 K N 1.411 121.840 120.400 0.049 0.000 3.490 202 K HA -0.216 4.002 4.320 -0.170 0.000 0.273 202 K C -0.507 176.189 176.600 0.160 0.000 0.916 202 K CA 0.860 57.194 56.287 0.077 0.000 0.718 202 K CB -1.087 31.447 32.500 0.058 0.000 1.477 202 K HN 0.892 nan 8.250 nan 0.000 0.452 203 E N 1.307 121.587 120.200 0.132 0.000 2.343 203 E HA 0.482 4.730 4.350 -0.170 0.000 0.278 203 E C -1.186 175.423 176.600 0.015 0.000 0.910 203 E CA -0.921 55.551 56.400 0.120 0.000 0.757 203 E CB 1.213 31.053 29.700 0.233 0.000 1.218 203 E HN 0.231 nan 8.360 nan 0.000 0.435 204 L N 2.790 123.968 121.223 -0.074 0.000 2.309 204 L HA 0.653 4.890 4.340 -0.170 0.000 0.261 204 L C -1.081 175.745 176.870 -0.074 0.000 1.021 204 L CA -1.356 53.447 54.840 -0.061 0.000 0.823 204 L CB 1.848 43.866 42.059 -0.069 0.000 1.366 204 L HN 0.530 nan 8.230 nan 0.000 0.423 205 L N 1.972 123.170 121.223 -0.041 0.000 2.376 205 L HA 0.618 4.855 4.340 -0.170 0.000 0.275 205 L C -1.221 175.642 176.870 -0.012 0.000 0.987 205 L CA 0.036 54.859 54.840 -0.028 0.000 0.828 205 L CB 1.572 43.621 42.059 -0.016 0.000 1.249 205 L HN 0.373 nan 8.230 nan 0.000 0.409 206 I N 4.388 124.962 120.570 0.006 0.000 2.355 206 I HA 0.425 4.493 4.170 -0.170 0.000 0.288 206 I C -0.921 175.201 176.117 0.009 0.000 0.999 206 I CA -0.167 61.157 61.300 0.040 0.000 1.163 206 I CB 1.503 39.570 38.000 0.112 0.000 1.316 206 I HN 0.600 nan 8.210 nan 0.000 0.454 207 D N 4.526 124.924 120.400 -0.004 0.000 2.340 207 D HA 0.307 4.845 4.640 -0.170 0.000 0.240 207 D C -0.504 175.764 176.300 -0.054 0.000 1.001 207 D CA -0.775 53.203 54.000 -0.037 0.000 0.888 207 D CB 1.106 41.873 40.800 -0.053 0.000 1.310 207 D HN 0.554 nan 8.370 nan 0.000 0.474 208 E N 0.024 120.178 120.200 -0.076 0.000 2.404 208 E HA 0.165 4.413 4.350 -0.170 0.000 0.261 208 E C -0.295 176.235 176.600 -0.116 0.000 1.074 208 E CA -0.591 55.754 56.400 -0.091 0.000 0.917 208 E CB 0.849 30.494 29.700 -0.092 0.000 0.965 208 E HN 0.214 nan 8.360 nan 0.000 0.433 209 S N 2.581 118.218 115.700 -0.105 0.000 2.549 209 S HA 0.118 4.486 4.470 -0.170 0.000 0.279 209 S C 0.323 174.788 174.600 -0.225 0.000 1.321 209 S CA -0.552 57.573 58.200 -0.125 0.000 1.054 209 S CB 0.134 63.297 63.200 -0.062 0.000 0.899 209 S HN 0.591 nan 8.310 nan 0.000 0.497 210 L N 4.731 125.768 121.223 -0.311 0.000 3.358 210 L HA 0.402 4.640 4.340 -0.170 0.000 0.301 210 L C -0.236 176.437 176.870 -0.328 0.000 1.276 210 L CA -0.317 54.139 54.840 -0.641 0.000 1.028 210 L CB 0.106 41.622 42.059 -0.904 0.000 1.421 210 L HN 0.624 nan 8.230 nan 0.000 0.604 211 I N 1.253 121.754 120.570 -0.115 0.000 2.826 211 I HA -0.045 4.023 4.170 -0.170 0.000 0.295 211 I C 1.519 177.692 176.117 0.094 0.000 1.213 211 I CA 1.579 62.883 61.300 0.005 0.000 1.436 211 I CB 0.350 38.373 38.000 0.039 0.000 1.348 211 I HN 0.463 nan 8.210 nan 0.000 0.570 212 G N 4.147 113.018 108.800 0.119 0.000 2.232 212 G HA2 -0.218 3.640 3.960 -0.170 0.000 0.226 212 G HA3 -0.218 3.640 3.960 -0.170 0.000 0.226 212 G C -0.131 174.947 174.900 0.297 0.000 0.996 212 G CA -0.633 44.557 45.100 0.151 0.000 0.626 212 G HN 0.484 nan 8.290 nan 0.000 0.509 213 W N 1.751 123.072 121.300 0.036 0.000 2.129 213 W HA 0.661 5.219 4.660 -0.171 0.000 0.349 213 W C 1.041 177.593 176.519 0.055 0.000 1.279 213 W CA -0.816 56.569 57.345 0.066 0.000 1.306 213 W CB 0.389 29.896 29.460 0.079 0.000 1.140 213 W HN -0.016 nan 8.180 nan 0.000 0.613 214 K N 1.370 121.941 120.400 0.284 0.000 2.295 214 K HA 0.120 4.337 4.320 -0.170 0.000 0.270 214 K C -0.322 176.350 176.600 0.119 0.000 1.011 214 K CA -0.213 56.154 56.287 0.133 0.000 0.953 214 K CB 0.799 33.385 32.500 0.142 0.000 0.956 214 K HN 0.400 nan 8.250 nan 0.000 0.477 215 E N 2.482 122.622 120.200 -0.100 0.000 2.199 215 E HA 0.259 4.507 4.350 -0.170 0.000 0.265 215 E C -1.597 174.862 176.600 -0.235 0.000 0.882 215 E CA -0.561 55.818 56.400 -0.034 0.000 0.759 215 E CB 0.787 30.482 29.700 -0.008 0.000 1.148 215 E HN 0.363 nan 8.360 nan 0.000 0.412 216 Y N 1.557 121.956 120.300 0.164 0.000 2.602 216 Y HA 0.468 4.916 4.550 -0.169 0.000 0.342 216 Y C -0.335 175.681 175.900 0.194 0.000 1.029 216 Y CA -0.761 57.434 58.100 0.159 0.000 1.080 216 Y CB 2.320 40.860 38.460 0.134 0.000 1.284 216 Y HN 0.459 nan 8.280 nan 0.000 0.485 217 E N 1.726 122.132 120.200 0.344 0.000 2.331 217 E HA 0.603 4.851 4.350 -0.170 0.000 0.275 217 E C -1.547 175.178 176.600 0.207 0.000 0.895 217 E CA -0.884 55.662 56.400 0.243 0.000 0.753 217 E CB 3.032 32.804 29.700 0.121 0.000 1.216 217 E HN 0.468 nan 8.360 nan 0.000 0.434 218 M N 1.715 121.429 119.600 0.189 0.000 2.327 218 M HA 0.291 4.668 4.480 -0.170 0.000 0.298 218 M C -1.108 175.231 176.300 0.066 0.000 1.065 218 M CA -0.776 54.588 55.300 0.106 0.000 0.916 218 M CB 2.253 34.897 32.600 0.074 0.000 1.630 218 M HN 0.292 nan 8.290 nan 0.000 0.442 219 E N 3.191 123.403 120.200 0.021 0.000 2.109 219 E HA 0.466 4.714 4.350 -0.170 0.000 0.278 219 E C -1.114 175.458 176.600 -0.048 0.000 0.954 219 E CA -0.280 56.117 56.400 -0.005 0.000 0.779 219 E CB 1.721 31.412 29.700 -0.015 0.000 1.093 219 E HN 0.364 nan 8.360 nan 0.000 0.401 220 V N 2.434 122.330 119.914 -0.029 0.000 2.769 220 V HA 0.545 4.563 4.120 -0.170 0.000 0.312 220 V C 0.136 176.204 176.094 -0.043 0.000 1.058 220 V CA -0.927 61.345 62.300 -0.046 0.000 0.952 220 V CB 2.192 34.012 31.823 -0.004 0.000 1.019 220 V HN 0.333 nan 8.190 nan 0.000 0.445 221 V N 3.206 123.085 119.914 -0.057 0.000 2.789 221 V HA 0.699 4.717 4.120 -0.170 0.000 0.311 221 V C -0.362 175.738 176.094 0.011 0.000 1.073 221 V CA -0.715 61.578 62.300 -0.013 0.000 0.921 221 V CB 2.103 33.921 31.823 -0.008 0.000 1.009 221 V HN 0.951 nan 8.190 nan 0.000 0.426 222 R N 2.252 122.773 120.500 0.036 0.000 2.651 222 R HA 0.615 4.853 4.340 -0.170 0.000 0.278 222 R C -1.785 174.547 176.300 0.054 0.000 1.010 222 R CA -0.489 55.635 56.100 0.040 0.000 0.896 222 R CB 2.275 32.594 30.300 0.031 0.000 1.211 222 R HN 0.950 nan 8.270 nan 0.000 0.456 223 D N 1.558 121.993 120.400 0.058 0.000 2.449 223 D HA 0.163 4.701 4.640 -0.170 0.000 0.250 223 D C 0.437 176.767 176.300 0.051 0.000 1.050 223 D CA -0.842 53.197 54.000 0.065 0.000 1.024 223 D CB 1.118 41.969 40.800 0.085 0.000 1.218 223 D HN 0.598 nan 8.370 nan 0.000 0.566 224 K N -0.461 119.969 120.400 0.050 0.000 2.280 224 K HA -0.096 4.122 4.320 -0.170 0.000 0.202 224 K C 0.556 177.176 176.600 0.034 0.000 1.047 224 K CA 0.940 57.249 56.287 0.037 0.000 0.942 224 K CB -0.380 32.138 32.500 0.029 0.000 0.739 224 K HN 0.130 nan 8.250 nan 0.000 0.457 225 N N 1.102 119.827 118.700 0.041 0.000 2.398 225 N HA -0.059 4.579 4.740 -0.170 0.000 0.188 225 N C -0.485 175.046 175.510 0.035 0.000 1.122 225 N CA 0.828 53.901 53.050 0.038 0.000 0.866 225 N CB 0.160 38.673 38.487 0.044 0.000 0.970 225 N HN 0.338 nan 8.380 nan 0.000 0.462 226 D N -0.699 119.722 120.400 0.035 0.000 3.099 226 D HA -0.152 4.385 4.640 -0.170 0.000 0.213 226 D C -0.940 175.381 176.300 0.035 0.000 1.121 226 D CA 0.406 54.425 54.000 0.031 0.000 0.951 226 D CB -1.408 39.406 40.800 0.024 0.000 1.102 226 D HN 0.168 nan 8.370 nan 0.000 0.423 227 N N 0.326 119.052 118.700 0.044 0.000 2.530 227 N HA 0.395 5.033 4.740 -0.170 0.000 0.273 227 N C -0.299 175.238 175.510 0.044 0.000 1.173 227 N CA 0.141 53.221 53.050 0.049 0.000 0.967 227 N CB 1.489 40.015 38.487 0.065 0.000 1.109 227 N HN 0.311 nan 8.380 nan 0.000 0.453 228 C N 2.734 122.055 119.300 0.035 0.000 2.891 228 C HA 0.713 5.071 4.460 -0.170 0.000 0.342 228 C C -0.954 174.036 174.990 -0.000 0.000 1.126 228 C CA -0.698 58.331 59.018 0.018 0.000 1.322 228 C CB -0.347 27.402 27.740 0.015 0.000 1.763 228 C HN 0.765 nan 8.230 nan 0.000 0.491 229 I N 3.044 123.594 120.570 -0.034 0.000 2.969 229 I HA 0.683 4.751 4.170 -0.170 0.000 0.307 229 I C -1.151 174.892 176.117 -0.124 0.000 1.149 229 I CA -0.871 60.380 61.300 -0.081 0.000 1.008 229 I CB 1.676 39.593 38.000 -0.137 0.000 1.232 229 I HN 0.262 nan 8.210 nan 0.000 0.435 230 I N 4.544 125.040 120.570 -0.123 0.000 2.291 230 I HA 0.171 4.239 4.170 -0.170 0.000 0.290 230 I C 1.108 177.096 176.117 -0.215 0.000 1.050 230 I CA -0.400 60.827 61.300 -0.122 0.000 1.245 230 I CB 1.188 39.156 38.000 -0.053 0.000 1.405 230 I HN 0.583 nan 8.210 nan 0.000 0.478 231 V N 4.930 124.655 119.914 -0.315 0.000 2.453 231 V HA -0.104 3.913 4.120 -0.170 0.000 0.247 231 V C 0.868 176.827 176.094 -0.225 0.000 1.048 231 V CA 1.081 63.101 62.300 -0.467 0.000 1.049 231 V CB -0.006 31.451 31.823 -0.610 0.000 0.672 231 V HN 0.854 nan 8.190 nan 0.000 0.457 232 C N -0.223 119.011 119.300 -0.109 0.000 3.171 232 C HA 0.621 4.979 4.460 -0.170 0.000 0.336 232 C C -0.217 174.793 174.990 0.035 0.000 1.198 232 C CA -0.358 58.649 59.018 -0.019 0.000 1.319 232 C CB 1.420 29.159 27.740 -0.001 0.000 1.682 232 C HN 0.517 nan 8.230 nan 0.000 0.497 233 S N 3.675 119.429 115.700 0.091 0.000 2.532 233 S HA 0.906 5.274 4.470 -0.170 0.000 0.301 233 S C -1.079 173.614 174.600 0.156 0.000 1.083 233 S CA -0.537 57.745 58.200 0.137 0.000 1.025 233 S CB 1.270 64.615 63.200 0.241 0.000 1.056 233 S HN 0.702 nan 8.310 nan 0.000 0.494 234 I N 1.236 121.922 120.570 0.193 0.000 2.569 234 I HA 0.429 4.497 4.170 -0.170 0.000 0.290 234 I C -0.640 175.607 176.117 0.217 0.000 1.088 234 I CA -0.357 61.047 61.300 0.173 0.000 1.047 234 I CB 2.325 40.395 38.000 0.117 0.000 1.237 234 I HN 0.828 nan 8.210 nan 0.000 0.421 235 E N 6.188 126.485 120.200 0.163 0.000 2.145 235 E HA 0.347 4.595 4.350 -0.170 0.000 0.270 235 E C -0.925 175.660 176.600 -0.024 0.000 0.906 235 E CA -0.610 55.786 56.400 -0.007 0.000 0.761 235 E CB 1.047 30.826 29.700 0.132 0.000 1.116 235 E HN 0.547 nan 8.360 nan 0.000 0.408 236 N N 4.238 122.854 118.700 -0.141 0.000 2.513 236 N HA 0.027 4.664 4.740 -0.170 0.000 0.268 236 N C 0.301 175.762 175.510 -0.081 0.000 1.180 236 N CA -0.096 52.917 53.050 -0.062 0.000 0.948 236 N CB 0.670 39.122 38.487 -0.058 0.000 1.083 236 N HN 0.536 nan 8.380 nan 0.000 0.455 237 F N 2.253 122.027 119.950 -0.293 0.000 2.128 237 F HA -0.029 4.396 4.527 -0.170 0.000 0.295 237 F C 0.588 176.230 175.800 -0.264 0.000 1.100 237 F CA 0.886 58.559 58.000 -0.545 0.000 1.260 237 F CB 0.238 38.925 39.000 -0.522 0.000 1.009 237 F HN 0.396 nan 8.300 nan 0.000 0.476 238 D N 1.608 122.057 120.400 0.081 0.000 2.350 238 D HA 0.302 4.840 4.640 -0.170 0.000 0.249 238 D C 0.381 176.667 176.300 -0.023 0.000 1.119 238 D CA 0.380 54.397 54.000 0.028 0.000 0.886 238 D CB 1.389 42.280 40.800 0.152 0.000 1.195 238 D HN 0.325 nan 8.370 nan 0.000 0.437 239 A N 2.974 125.773 122.820 -0.035 0.000 2.251 239 A HA 0.260 4.478 4.320 -0.170 0.000 0.278 239 A C 0.736 178.338 177.584 0.029 0.000 1.206 239 A CA -0.494 51.543 52.037 0.000 0.000 0.822 239 A CB 0.221 19.226 19.000 0.010 0.000 1.187 239 A HN 0.520 nan 8.150 nan 0.000 0.504 240 M N -0.238 119.396 119.600 0.058 0.000 2.250 240 M HA 0.262 4.639 4.480 -0.170 0.000 0.337 240 M C 1.363 177.682 176.300 0.032 0.000 1.161 240 M CA 1.885 57.211 55.300 0.042 0.000 1.088 240 M CB -0.290 32.345 32.600 0.058 0.000 1.639 240 M HN 1.423 nan 8.290 nan 0.000 0.447 241 G N 3.369 112.183 108.800 0.023 0.000 2.316 241 G HA2 -0.146 3.712 3.960 -0.170 0.000 0.203 241 G HA3 -0.146 3.712 3.960 -0.170 0.000 0.203 241 G C 0.009 174.952 174.900 0.071 0.000 0.999 241 G CA -0.611 44.513 45.100 0.040 0.000 0.649 241 G HN 0.560 nan 8.290 nan 0.000 0.489 242 I N 2.347 122.963 120.570 0.076 0.000 2.389 242 I HA 0.345 4.413 4.170 -0.170 0.000 0.288 242 I C 0.582 176.775 176.117 0.126 0.000 0.999 242 I CA -1.062 60.311 61.300 0.121 0.000 1.129 242 I CB 1.432 39.508 38.000 0.128 0.000 1.288 242 I HN 0.147 nan 8.210 nan 0.000 0.444 243 H N 4.952 124.067 119.070 0.075 0.000 3.092 243 H HA -0.074 4.380 4.556 -0.169 0.000 0.332 243 H C 1.146 176.511 175.328 0.061 0.000 1.029 243 H CA 1.301 57.383 56.048 0.056 0.000 1.376 243 H CB 1.256 31.051 29.762 0.054 0.000 1.329 243 H HN 0.870 nan 8.280 nan 0.000 0.598 244 T N 0.784 115.182 114.554 -0.259 0.000 2.721 244 T HA -0.171 4.077 4.350 -0.170 0.000 0.268 244 T C 2.096 176.858 174.700 0.104 0.000 1.038 244 T CA 1.227 63.286 62.100 -0.069 0.000 1.145 244 T CB -0.661 68.124 68.868 -0.138 0.000 0.858 244 T HN 0.640 nan 8.240 nan 0.000 0.459 245 G N 0.635 109.629 108.800 0.324 0.000 2.534 245 G HA2 -0.022 3.836 3.960 -0.170 0.000 0.217 245 G HA3 -0.022 3.836 3.960 -0.170 0.000 0.217 245 G C 1.053 176.043 174.900 0.150 0.000 1.128 245 G CA 0.555 45.791 45.100 0.228 0.000 0.784 245 G HN 0.479 nan 8.290 nan 0.000 0.542 246 D N -0.271 120.273 120.400 0.240 0.000 2.369 246 D HA 0.206 4.744 4.640 -0.170 0.000 0.211 246 D C 0.676 177.153 176.300 0.293 0.000 1.077 246 D CA 0.047 54.220 54.000 0.287 0.000 0.842 246 D CB 0.669 41.706 40.800 0.396 0.000 0.947 246 D HN 0.094 nan 8.370 nan 0.000 0.509 247 S N -0.064 115.747 115.700 0.185 0.000 2.608 247 S HA 0.445 4.812 4.470 -0.170 0.000 0.291 247 S C 0.459 175.116 174.600 0.096 0.000 1.146 247 S CA -0.672 57.620 58.200 0.153 0.000 1.043 247 S CB 1.784 65.049 63.200 0.108 0.000 1.037 247 S HN 0.038 nan 8.310 nan 0.000 0.520 248 I N 2.760 123.381 120.570 0.085 0.000 2.496 248 I HA 0.220 4.288 4.170 -0.170 0.000 0.285 248 I C 0.728 176.852 176.117 0.011 0.000 1.080 248 I CA 0.128 61.407 61.300 -0.035 0.000 1.404 248 I CB 0.752 38.574 38.000 -0.297 0.000 1.403 248 I HN 0.697 nan 8.210 nan 0.000 0.539 249 T N 3.855 118.406 114.554 -0.005 0.000 2.906 249 T HA 0.772 5.020 4.350 -0.170 0.000 0.295 249 T C -0.557 174.171 174.700 0.047 0.000 1.075 249 T CA -0.743 61.373 62.100 0.027 0.000 1.005 249 T CB 1.970 70.858 68.868 0.033 0.000 1.136 249 T HN 0.418 nan 8.240 nan 0.000 0.498 250 V N -1.575 118.400 119.914 0.102 0.000 2.962 250 V HA 1.024 5.042 4.120 -0.170 0.000 0.313 250 V C -0.508 175.670 176.094 0.140 0.000 1.099 250 V CA -1.230 61.159 62.300 0.148 0.000 0.971 250 V CB 1.214 33.205 31.823 0.281 0.000 1.028 250 V HN 1.569 nan 8.190 nan 0.000 0.430 251 A N 4.100 126.991 122.820 0.119 0.000 2.371 251 A HA 1.028 5.246 4.320 -0.170 0.000 0.311 251 A C -2.817 174.807 177.584 0.068 0.000 1.068 251 A CA -1.782 50.311 52.037 0.093 0.000 0.744 251 A CB 1.849 20.891 19.000 0.070 0.000 1.239 251 A HN 0.771 nan 8.150 nan 0.000 0.435 252 P HA 0.488 nan 4.420 nan 0.000 0.317 252 P C 0.165 177.523 177.300 0.097 0.000 1.307 252 P CA -0.234 62.897 63.100 0.052 0.000 0.749 252 P CB 0.564 32.255 31.700 -0.015 0.000 1.377 253 A N -0.004 122.908 122.820 0.153 0.000 2.425 253 A HA 0.119 4.337 4.320 -0.170 0.000 0.242 253 A C 1.115 178.713 177.584 0.023 0.000 1.077 253 A CA 0.207 52.376 52.037 0.220 0.000 0.781 253 A CB -0.287 18.910 19.000 0.329 0.000 1.020 253 A HN 0.476 nan 8.150 nan 0.000 0.494 254 Q N -0.047 119.706 119.800 -0.079 0.000 2.532 254 Q HA 0.012 4.249 4.340 -0.170 0.000 0.247 254 Q C 1.242 176.919 176.000 -0.538 0.000 0.872 254 Q CA 1.517 57.038 55.803 -0.469 0.000 0.963 254 Q CB -0.078 28.032 28.738 -1.048 0.000 1.159 254 Q HN 0.975 nan 8.270 nan 0.000 0.598 255 T N -1.339 113.009 114.554 -0.343 0.000 3.251 255 T HA 0.471 4.719 4.350 -0.170 0.000 0.259 255 T C 0.467 175.107 174.700 -0.100 0.000 0.998 255 T CA -0.131 61.808 62.100 -0.268 0.000 0.905 255 T CB -0.344 68.412 68.868 -0.186 0.000 1.067 255 T HN -0.095 nan 8.240 nan 0.000 0.569 256 L N 2.655 123.826 121.223 -0.087 0.000 2.325 256 L HA 0.508 4.745 4.340 -0.170 0.000 0.278 256 L C 0.838 177.654 176.870 -0.091 0.000 1.023 256 L CA -1.039 53.746 54.840 -0.092 0.000 0.811 256 L CB 1.860 43.838 42.059 -0.136 0.000 1.249 256 L HN 0.324 nan 8.230 nan 0.000 0.431 257 T N -2.634 111.871 114.554 -0.082 0.000 2.868 257 T HA 0.017 4.264 4.350 -0.170 0.000 0.292 257 T C 0.714 175.383 174.700 -0.052 0.000 1.028 257 T CA -0.560 61.496 62.100 -0.074 0.000 1.059 257 T CB 1.287 70.117 68.868 -0.064 0.000 0.991 257 T HN 0.674 nan 8.240 nan 0.000 0.531 258 D N 0.352 120.714 120.400 -0.064 0.000 2.149 258 D HA -0.134 4.404 4.640 -0.170 0.000 0.198 258 D C 1.973 178.274 176.300 0.002 0.000 0.990 258 D CA 1.431 55.404 54.000 -0.045 0.000 0.839 258 D CB -0.066 40.691 40.800 -0.072 0.000 0.948 258 D HN 0.625 nan 8.370 nan 0.000 0.460 259 K N -0.128 120.257 120.400 -0.025 0.000 2.063 259 K HA -0.178 4.040 4.320 -0.170 0.000 0.208 259 K C 2.152 178.726 176.600 -0.044 0.000 1.048 259 K CA 1.469 57.738 56.287 -0.030 0.000 0.928 259 K CB -0.080 32.397 32.500 -0.038 0.000 0.713 259 K HN 0.347 nan 8.250 nan 0.000 0.442 260 E N -0.584 119.580 120.200 -0.059 0.000 2.152 260 E HA -0.178 4.069 4.350 -0.170 0.000 0.192 260 E C 1.790 178.293 176.600 -0.163 0.000 0.983 260 E CA 0.742 57.072 56.400 -0.117 0.000 0.818 260 E CB -0.095 29.522 29.700 -0.139 0.000 0.758 260 E HN 0.305 nan 8.360 nan 0.000 0.467 261 Y N 1.868 122.036 120.300 -0.221 0.000 2.181 261 Y HA -0.245 4.202 4.550 -0.171 0.000 0.288 261 Y C 2.263 178.045 175.900 -0.196 0.000 1.146 261 Y CA 1.469 59.428 58.100 -0.235 0.000 1.164 261 Y CB 0.224 38.572 38.460 -0.186 0.000 0.982 261 Y HN -0.041 nan 8.280 nan 0.000 0.515 262 Q N 0.101 119.915 119.800 0.023 0.000 2.119 262 Q HA -0.126 4.112 4.340 -0.170 0.000 0.201 262 Q C 2.419 178.347 176.000 -0.121 0.000 0.972 262 Q CA 1.680 57.469 55.803 -0.024 0.000 0.847 262 Q CB -0.449 28.296 28.738 0.011 0.000 0.903 262 Q HN 0.601 nan 8.270 nan 0.000 0.433 263 I N 0.352 120.837 120.570 -0.142 0.000 2.226 263 I HA -0.263 3.804 4.170 -0.170 0.000 0.245 263 I C 2.521 178.490 176.117 -0.247 0.000 1.100 263 I CA 1.026 62.234 61.300 -0.153 0.000 1.374 263 I CB -0.236 37.684 38.000 -0.134 0.000 1.057 263 I HN 0.190 nan 8.210 nan 0.000 0.413 264 M N 0.536 119.891 119.600 -0.409 0.000 2.117 264 M HA -0.242 4.136 4.480 -0.170 0.000 0.262 264 M C 2.550 178.533 176.300 -0.527 0.000 1.065 264 M CA 1.690 56.587 55.300 -0.673 0.000 1.114 264 M CB -0.179 31.872 32.600 -0.915 0.000 1.361 264 M HN 0.101 nan 8.290 nan 0.000 0.408 265 R N 0.229 120.454 120.500 -0.458 0.000 2.081 265 R HA -0.172 4.065 4.340 -0.170 0.000 0.235 265 R C 1.509 177.726 176.300 -0.139 0.000 1.131 265 R CA 2.444 58.364 56.100 -0.301 0.000 0.960 265 R CB -0.556 29.601 30.300 -0.240 0.000 0.856 265 R HN 0.562 nan 8.270 nan 0.000 0.436 266 N N 0.188 118.820 118.700 -0.113 0.000 2.120 266 N HA -0.154 4.484 4.740 -0.170 0.000 0.188 266 N C 1.893 177.395 175.510 -0.014 0.000 1.024 266 N CA 1.113 54.133 53.050 -0.051 0.000 0.852 266 N CB -0.204 38.256 38.487 -0.044 0.000 1.003 266 N HN 0.322 nan 8.380 nan 0.000 0.424 267 A N 0.830 123.644 122.820 -0.011 0.000 1.908 267 A HA -0.168 4.050 4.320 -0.170 0.000 0.218 267 A C 2.372 180.063 177.584 0.178 0.000 1.181 267 A CA 1.638 53.735 52.037 0.099 0.000 0.627 267 A CB -0.762 18.341 19.000 0.173 0.000 0.818 267 A HN 0.195 nan 8.150 nan 0.000 0.445 268 S N -0.463 115.359 115.700 0.203 0.000 2.359 268 S HA -0.208 4.160 4.470 -0.170 0.000 0.224 268 S C 2.070 176.728 174.600 0.097 0.000 1.035 268 S CA 1.937 60.267 58.200 0.217 0.000 1.018 268 S CB -0.427 62.861 63.200 0.146 0.000 0.876 268 S HN 0.594 nan 8.310 nan 0.000 0.448 269 M N 0.915 120.544 119.600 0.048 0.000 2.086 269 M HA -0.104 4.274 4.480 -0.170 0.000 0.261 269 M C 2.534 178.851 176.300 0.028 0.000 1.067 269 M CA 1.502 56.818 55.300 0.027 0.000 1.116 269 M CB -0.664 31.942 32.600 0.010 0.000 1.348 269 M HN 0.391 nan 8.290 nan 0.000 0.407 270 A N 0.105 122.943 122.820 0.029 0.000 1.940 270 A HA -0.106 4.112 4.320 -0.170 0.000 0.219 270 A C 2.272 179.865 177.584 0.015 0.000 1.176 270 A CA 1.642 53.690 52.037 0.018 0.000 0.631 270 A CB -1.044 17.964 19.000 0.013 0.000 0.814 270 A HN 0.307 nan 8.150 nan 0.000 0.446 271 V N -0.419 119.516 119.914 0.035 0.000 2.287 271 V HA -0.279 3.739 4.120 -0.170 0.000 0.248 271 V C 2.527 178.640 176.094 0.031 0.000 1.053 271 V CA 2.116 64.433 62.300 0.027 0.000 1.027 271 V CB -0.797 31.068 31.823 0.070 0.000 0.646 271 V HN 0.514 nan 8.190 nan 0.000 0.447 272 L N -0.416 120.831 121.223 0.040 0.000 2.042 272 L HA -0.154 4.084 4.340 -0.170 0.000 0.210 272 L C 2.629 179.512 176.870 0.023 0.000 1.076 272 L CA 1.926 56.787 54.840 0.035 0.000 0.749 272 L CB -0.674 41.404 42.059 0.032 0.000 0.893 272 L HN 0.225 nan 8.230 nan 0.000 0.432 273 R N -0.932 119.577 120.500 0.016 0.000 2.092 273 R HA -0.188 4.050 4.340 -0.170 0.000 0.231 273 R C 2.150 178.449 176.300 -0.001 0.000 1.119 273 R CA 1.318 57.423 56.100 0.009 0.000 0.970 273 R CB -0.225 30.079 30.300 0.007 0.000 0.864 273 R HN 0.305 nan 8.270 nan 0.000 0.440 274 E N 0.928 121.121 120.200 -0.011 0.000 2.112 274 E HA -0.082 4.165 4.350 -0.170 0.000 0.190 274 E C 1.712 178.297 176.600 -0.024 0.000 0.979 274 E CA 0.814 57.195 56.400 -0.031 0.000 0.814 274 E CB 0.061 29.723 29.700 -0.064 0.000 0.762 274 E HN 0.043 nan 8.360 nan 0.000 0.460 275 I N 0.462 121.028 120.570 -0.005 0.000 2.394 275 I HA 0.022 4.090 4.170 -0.170 0.000 0.251 275 I C 1.696 177.825 176.117 0.020 0.000 1.136 275 I CA 1.690 63.003 61.300 0.021 0.000 1.425 275 I CB -1.229 36.811 38.000 0.067 0.000 1.079 275 I HN 0.436 nan 8.210 nan 0.000 0.425 276 G N 0.377 109.187 108.800 0.016 0.000 2.145 276 G HA2 -0.173 3.684 3.960 -0.170 0.000 0.176 276 G HA3 -0.173 3.684 3.960 -0.170 0.000 0.176 276 G C 0.172 175.084 174.900 0.020 0.000 1.013 276 G CA -0.008 45.102 45.100 0.016 0.000 0.689 276 G HN 0.133 nan 8.290 nan 0.000 0.506 277 V N 0.844 120.773 119.914 0.024 0.000 2.338 277 V HA 0.291 4.309 4.120 -0.170 0.000 0.255 277 V C 1.236 177.346 176.094 0.026 0.000 1.082 277 V CA 0.657 62.972 62.300 0.026 0.000 0.951 277 V CB 0.977 32.817 31.823 0.029 0.000 1.102 277 V HN 0.524 nan 8.190 nan 0.000 0.489 278 E N 2.262 122.478 120.200 0.025 0.000 2.415 278 E HA 0.024 4.271 4.350 -0.170 0.000 0.197 278 E C 0.862 177.482 176.600 0.033 0.000 1.007 278 E CA 0.674 57.090 56.400 0.027 0.000 0.890 278 E CB 0.583 30.297 29.700 0.023 0.000 0.891 278 E HN 0.798 nan 8.360 nan 0.000 0.496 279 T N -1.579 112.995 114.554 0.034 0.000 3.732 279 T HA 0.629 4.876 4.350 -0.170 0.000 0.234 279 T C -0.019 174.708 174.700 0.045 0.000 1.146 279 T CA -0.305 61.820 62.100 0.042 0.000 1.454 279 T CB 0.875 69.764 68.868 0.034 0.000 0.910 279 T HN 0.139 nan 8.240 nan 0.000 0.640 280 G N -0.336 108.494 108.800 0.050 0.000 2.315 280 G HA2 0.557 4.414 3.960 -0.170 0.000 0.294 280 G HA3 0.557 4.414 3.960 -0.170 0.000 0.294 280 G C -0.413 174.517 174.900 0.050 0.000 1.300 280 G CA -0.267 44.865 45.100 0.054 0.000 0.843 280 G HN 0.633 nan 8.290 nan 0.000 0.527 281 G N -1.002 107.831 108.800 0.054 0.000 2.504 281 G HA2 0.645 4.503 3.960 -0.170 0.000 0.288 281 G HA3 0.645 4.503 3.960 -0.170 0.000 0.288 281 G C -0.330 174.593 174.900 0.039 0.000 1.182 281 G CA 0.415 45.543 45.100 0.046 0.000 0.894 281 G HN 1.261 nan 8.290 nan 0.000 0.521 282 S N -0.613 115.105 115.700 0.031 0.000 2.547 282 S HA 0.321 4.689 4.470 -0.170 0.000 0.270 282 S C -0.974 173.639 174.600 0.022 0.000 1.150 282 S CA -0.888 57.327 58.200 0.026 0.000 0.850 282 S CB 1.827 65.041 63.200 0.023 0.000 1.118 282 S HN 0.790 nan 8.310 nan 0.000 0.461 283 N N 1.741 120.449 118.700 0.014 0.000 2.400 283 N HA 0.550 5.187 4.740 -0.170 0.000 0.288 283 N C -1.402 174.096 175.510 -0.020 0.000 1.024 283 N CA -0.219 52.837 53.050 0.011 0.000 0.894 283 N CB 1.222 39.718 38.487 0.015 0.000 1.173 283 N HN 0.353 nan 8.380 nan 0.000 0.487 284 V N 2.844 122.757 119.914 -0.002 0.000 2.555 284 V HA 0.379 4.397 4.120 -0.170 0.000 0.302 284 V C -0.216 175.786 176.094 -0.154 0.000 1.038 284 V CA -0.765 61.479 62.300 -0.093 0.000 0.887 284 V CB 1.721 33.522 31.823 -0.038 0.000 0.991 284 V HN 0.651 nan 8.190 nan 0.000 0.434 285 Q N 2.685 122.262 119.800 -0.372 0.000 2.342 285 Q HA 0.728 4.965 4.340 -0.170 0.000 0.267 285 Q C -1.704 173.963 176.000 -0.555 0.000 1.038 285 Q CA -0.353 55.288 55.803 -0.271 0.000 0.832 285 Q CB 2.612 31.244 28.738 -0.177 0.000 1.323 285 Q HN 0.669 nan 8.270 nan 0.000 0.448 286 F N 0.087 120.094 119.950 0.096 0.000 2.603 286 F HA 0.769 5.193 4.527 -0.171 0.000 0.317 286 F C -0.280 175.637 175.800 0.194 0.000 1.066 286 F CA -1.079 57.003 58.000 0.137 0.000 0.941 286 F CB 1.726 40.810 39.000 0.140 0.000 1.291 286 F HN 0.495 nan 8.300 nan 0.000 0.472 287 A N 1.105 124.193 122.820 0.447 0.000 2.342 287 A HA 0.855 5.073 4.320 -0.170 0.000 0.323 287 A C -1.617 176.311 177.584 0.574 0.000 1.125 287 A CA -0.714 51.595 52.037 0.453 0.000 0.785 287 A CB 1.434 20.640 19.000 0.343 0.000 1.221 287 A HN 0.544 nan 8.150 nan 0.000 0.463 288 V N 2.990 123.230 119.914 0.544 0.000 2.525 288 V HA 0.271 4.289 4.120 -0.170 0.000 0.299 288 V C -0.453 175.621 176.094 -0.032 0.000 1.034 288 V CA -0.927 61.548 62.300 0.291 0.000 0.863 288 V CB 1.897 33.884 31.823 0.274 0.000 0.999 288 V HN 0.930 nan 8.190 nan 0.000 0.423 289 N N 7.591 125.920 118.700 -0.619 0.000 2.405 289 N HA 0.225 4.863 4.740 -0.170 0.000 0.260 289 N C -1.410 173.807 175.510 -0.488 0.000 1.152 289 N CA -1.875 50.444 53.050 -1.218 0.000 0.948 289 N CB 1.836 39.329 38.487 -1.656 0.000 1.111 289 N HN 0.280 nan 8.380 nan 0.000 0.485 290 P HA -0.137 nan 4.420 nan 0.000 0.219 290 P C 0.649 177.876 177.300 -0.121 0.000 1.146 290 P CA 1.417 64.452 63.100 -0.108 0.000 0.808 290 P CB 0.421 32.125 31.700 0.007 0.000 0.779 291 K N -0.285 120.015 120.400 -0.166 0.000 2.103 291 K HA -0.075 4.142 4.320 -0.170 0.000 0.204 291 K C 1.111 177.643 176.600 -0.114 0.000 1.052 291 K CA 1.582 57.799 56.287 -0.116 0.000 0.945 291 K CB -0.198 32.245 32.500 -0.096 0.000 0.722 291 K HN 0.282 nan 8.250 nan 0.000 0.443 292 N N -2.242 116.364 118.700 -0.157 0.000 2.116 292 N HA 0.095 4.732 4.740 -0.170 0.000 0.230 292 N C 0.603 176.043 175.510 -0.116 0.000 1.326 292 N CA 0.399 53.380 53.050 -0.116 0.000 0.867 292 N CB 0.841 39.270 38.487 -0.097 0.000 1.174 292 N HN 0.103 nan 8.380 nan 0.000 0.506 293 G N 0.921 109.635 108.800 -0.143 0.000 2.168 293 G HA2 -0.397 3.460 3.960 -0.170 0.000 0.263 293 G HA3 -0.397 3.460 3.960 -0.170 0.000 0.263 293 G C 0.027 174.868 174.900 -0.097 0.000 0.977 293 G CA 0.278 45.310 45.100 -0.113 0.000 0.659 293 G HN 0.619 nan 8.290 nan 0.000 0.533 294 R N -0.241 120.184 120.500 -0.126 0.000 2.537 294 R HA 0.289 4.526 4.340 -0.170 0.000 0.281 294 R C -0.077 176.264 176.300 0.069 0.000 0.988 294 R CA -0.098 55.984 56.100 -0.030 0.000 1.077 294 R CB 0.064 30.343 30.300 -0.035 0.000 0.932 294 R HN 0.336 nan 8.270 nan 0.000 0.409 295 L N 6.251 127.548 121.223 0.125 0.000 2.307 295 L HA 0.508 4.746 4.340 -0.170 0.000 0.284 295 L C -0.941 176.098 176.870 0.281 0.000 1.023 295 L CA -0.234 54.719 54.840 0.190 0.000 0.810 295 L CB 1.470 43.570 42.059 0.070 0.000 1.231 295 L HN 0.583 nan 8.230 nan 0.000 0.423 296 I N 4.777 125.569 120.570 0.370 0.000 2.545 296 I HA 0.429 4.496 4.170 -0.170 0.000 0.292 296 I C -0.806 175.480 176.117 0.282 0.000 1.040 296 I CA -0.971 60.501 61.300 0.287 0.000 1.068 296 I CB 2.346 40.480 38.000 0.224 0.000 1.251 296 I HN 0.261 nan 8.210 nan 0.000 0.424 297 V N 6.144 126.155 119.914 0.161 0.000 2.465 297 V HA 0.257 4.274 4.120 -0.170 0.000 0.279 297 V C 0.904 176.992 176.094 -0.009 0.000 1.045 297 V CA -0.353 61.933 62.300 -0.024 0.000 0.938 297 V CB 1.435 33.248 31.823 -0.016 0.000 0.986 297 V HN 0.576 nan 8.190 nan 0.000 0.467 298 I N 2.320 122.812 120.570 -0.130 0.000 2.685 298 I HA 0.241 4.309 4.170 -0.170 0.000 0.251 298 I C 0.928 176.928 176.117 -0.195 0.000 1.102 298 I CA 0.868 62.105 61.300 -0.105 0.000 1.442 298 I CB -0.109 37.823 38.000 -0.113 0.000 1.194 298 I HN 1.007 nan 8.210 nan 0.000 0.448 299 E N 1.142 121.138 120.200 -0.340 0.000 2.435 299 E HA 0.503 4.751 4.350 -0.170 0.000 0.277 299 E C -0.949 175.320 176.600 -0.551 0.000 1.106 299 E CA -0.911 55.070 56.400 -0.697 0.000 0.868 299 E CB 1.700 31.083 29.700 -0.528 0.000 1.454 299 E HN 0.015 nan 8.360 nan 0.000 0.452 300 M N 0.761 119.971 119.600 -0.651 0.000 2.365 300 M HA 0.569 4.946 4.480 -0.170 0.000 0.287 300 M C -2.250 173.905 176.300 -0.242 0.000 1.154 300 M CA -0.436 54.693 55.300 -0.286 0.000 0.941 300 M CB 2.375 34.958 32.600 -0.029 0.000 1.704 300 M HN 0.395 nan 8.290 nan 0.000 0.479 301 N N 4.221 122.843 118.700 -0.130 0.000 2.479 301 N HA 0.412 5.050 4.740 -0.170 0.000 0.261 301 N C -2.688 172.800 175.510 -0.037 0.000 0.979 301 N CA -1.195 51.800 53.050 -0.092 0.000 0.930 301 N CB 1.932 40.387 38.487 -0.054 0.000 1.172 301 N HN 0.565 nan 8.380 nan 0.000 0.499 302 P HA 0.064 nan 4.420 nan 0.000 0.228 302 P C -0.464 176.840 177.300 0.006 0.000 1.748 302 P CA 0.291 63.386 63.100 -0.009 0.000 0.909 302 P CB -0.201 31.488 31.700 -0.018 0.000 1.882 303 R N -2.141 118.375 120.500 0.026 0.000 2.855 303 R HA 0.469 4.706 4.340 -0.170 0.000 0.274 303 R C -0.695 175.664 176.300 0.099 0.000 0.997 303 R CA -1.102 55.029 56.100 0.052 0.000 0.856 303 R CB -0.067 30.254 30.300 0.034 0.000 1.378 303 R HN -0.156 nan 8.270 nan 0.000 0.462 304 V N -0.152 119.852 119.914 0.150 0.000 3.051 304 V HA 0.697 4.714 4.120 -0.170 0.000 0.306 304 V C 0.130 176.415 176.094 0.318 0.000 1.083 304 V CA 0.516 62.942 62.300 0.209 0.000 1.104 304 V CB 1.115 33.068 31.823 0.215 0.000 1.027 304 V HN 1.031 nan 8.190 nan 0.000 0.483 305 S N 2.787 118.619 115.700 0.219 0.000 2.819 305 S HA 0.489 4.857 4.470 -0.170 0.000 0.299 305 S C 0.668 175.248 174.600 -0.033 0.000 1.192 305 S CA -0.501 57.809 58.200 0.184 0.000 0.847 305 S CB 1.510 64.790 63.200 0.134 0.000 1.224 305 S HN 1.102 nan 8.310 nan 0.000 0.537 306 R N 0.176 120.642 120.500 -0.056 0.000 2.193 306 R HA 0.175 4.413 4.340 -0.170 0.000 0.213 306 R C 1.505 177.789 176.300 -0.028 0.000 1.055 306 R CA 1.446 57.480 56.100 -0.111 0.000 0.995 306 R CB -0.723 29.522 30.300 -0.092 0.000 0.893 306 R HN 0.409 nan 8.270 nan 0.000 0.459 307 S N 1.123 116.834 115.700 0.017 0.000 2.395 307 S HA -0.092 4.276 4.470 -0.170 0.000 0.225 307 S C 1.967 176.596 174.600 0.048 0.000 1.027 307 S CA 1.235 59.455 58.200 0.033 0.000 0.965 307 S CB 0.037 63.261 63.200 0.039 0.000 0.812 307 S HN 0.652 nan 8.310 nan 0.000 0.482 308 S N 1.795 117.533 115.700 0.064 0.000 2.406 308 S HA 0.099 4.467 4.470 -0.170 0.000 0.228 308 S C 1.966 176.644 174.600 0.130 0.000 1.020 308 S CA 0.859 59.115 58.200 0.093 0.000 0.965 308 S CB -0.387 62.877 63.200 0.107 0.000 0.798 308 S HN 0.450 nan 8.310 nan 0.000 0.488 309 A N 2.025 124.906 122.820 0.101 0.000 1.872 309 A HA 0.162 4.380 4.320 -0.170 0.000 0.214 309 A C 2.236 179.838 177.584 0.031 0.000 1.187 309 A CA 1.419 53.523 52.037 0.112 0.000 0.614 309 A CB -0.969 18.035 19.000 0.006 0.000 0.826 309 A HN 0.581 nan 8.150 nan 0.000 0.442 310 L N -0.007 121.223 121.223 0.011 0.000 2.012 310 L HA -0.088 4.150 4.340 -0.170 0.000 0.210 310 L C 2.593 179.488 176.870 0.042 0.000 1.073 310 L CA 2.400 57.246 54.840 0.009 0.000 0.748 310 L CB -0.779 41.285 42.059 0.009 0.000 0.891 310 L HN 0.330 nan 8.230 nan 0.000 0.431 311 A N -1.090 121.769 122.820 0.065 0.000 1.908 311 A HA -0.223 3.995 4.320 -0.170 0.000 0.218 311 A C 2.379 180.043 177.584 0.133 0.000 1.181 311 A CA 2.172 54.257 52.037 0.079 0.000 0.627 311 A CB -1.088 17.948 19.000 0.059 0.000 0.818 311 A HN 0.586 nan 8.150 nan 0.000 0.445 312 S N -0.241 115.572 115.700 0.188 0.000 2.368 312 S HA -0.124 4.244 4.470 -0.170 0.000 0.225 312 S C 2.002 176.782 174.600 0.299 0.000 1.030 312 S CA 1.485 59.864 58.200 0.298 0.000 0.999 312 S CB -0.170 63.267 63.200 0.394 0.000 0.844 312 S HN 0.470 nan 8.310 nan 0.000 0.459 313 K N 1.891 122.401 120.400 0.183 0.000 2.103 313 K HA 0.218 4.436 4.320 -0.170 0.000 0.204 313 K C 2.248 178.932 176.600 0.141 0.000 1.052 313 K CA 1.145 57.537 56.287 0.175 0.000 0.945 313 K CB -1.006 31.504 32.500 0.016 0.000 0.722 313 K HN 0.338 nan 8.250 nan 0.000 0.443 314 A N 0.925 123.787 122.820 0.070 0.000 1.902 314 A HA -0.147 4.071 4.320 -0.170 0.000 0.217 314 A C 2.236 179.927 177.584 0.177 0.000 1.181 314 A CA 2.564 54.639 52.037 0.064 0.000 0.623 314 A CB -0.769 18.271 19.000 0.067 0.000 0.818 314 A HN 0.489 nan 8.150 nan 0.000 0.443 315 T N -5.589 109.088 114.554 0.204 0.000 3.040 315 T HA 0.420 4.667 4.350 -0.170 0.000 0.252 315 T C 1.488 176.373 174.700 0.307 0.000 1.064 315 T CA 1.151 63.391 62.100 0.232 0.000 1.110 315 T CB 0.277 69.263 68.868 0.195 0.000 0.921 315 T HN 1.724 nan 8.240 nan 0.000 0.480 316 G N 1.110 110.146 108.800 0.393 0.000 2.175 316 G HA2 -0.203 3.655 3.960 -0.170 0.000 0.244 316 G HA3 -0.203 3.655 3.960 -0.170 0.000 0.244 316 G C -0.206 174.968 174.900 0.455 0.000 0.982 316 G CA -0.058 45.319 45.100 0.463 0.000 0.641 316 G HN 0.621 nan 8.290 nan 0.000 0.527 317 F N 3.669 123.782 119.950 0.272 0.000 2.390 317 F HA 0.585 5.010 4.527 -0.171 0.000 0.361 317 F C -1.913 174.031 175.800 0.240 0.000 1.124 317 F CA -3.282 54.852 58.000 0.223 0.000 1.149 317 F CB 1.433 40.486 39.000 0.089 0.000 1.160 317 F HN -0.077 nan 8.300 nan 0.000 0.501 318 P HA 0.120 nan 4.420 nan 0.000 0.256 318 P C 1.077 178.533 177.300 0.259 0.000 1.688 318 P CA 0.413 63.667 63.100 0.257 0.000 1.162 318 P CB -0.020 31.758 31.700 0.130 0.000 1.870 319 I N 1.897 122.703 120.570 0.394 0.000 2.163 319 I HA -0.323 3.744 4.170 -0.170 0.000 0.243 319 I C 2.373 178.600 176.117 0.184 0.000 1.085 319 I CA 1.952 63.460 61.300 0.346 0.000 1.347 319 I CB -0.642 37.509 38.000 0.253 0.000 1.044 319 I HN 0.200 nan 8.210 nan 0.000 0.408 320 A N 0.381 123.254 122.820 0.088 0.000 1.902 320 A HA -0.240 3.978 4.320 -0.170 0.000 0.217 320 A C 2.321 179.903 177.584 -0.004 0.000 1.181 320 A CA 1.779 53.827 52.037 0.017 0.000 0.623 320 A CB -0.515 18.448 19.000 -0.063 0.000 0.818 320 A HN 0.281 nan 8.150 nan 0.000 0.443 321 K N -0.543 119.836 120.400 -0.036 0.000 2.001 321 K HA -0.146 4.072 4.320 -0.170 0.000 0.214 321 K C 1.915 178.512 176.600 -0.005 0.000 1.050 321 K CA 1.860 58.123 56.287 -0.039 0.000 0.934 321 K CB -0.476 31.992 32.500 -0.053 0.000 0.718 321 K HN 0.258 nan 8.250 nan 0.000 0.443 322 V N 0.995 120.924 119.914 0.025 0.000 2.255 322 V HA -0.326 3.692 4.120 -0.170 0.000 0.247 322 V C 2.295 178.439 176.094 0.083 0.000 1.051 322 V CA 2.166 64.498 62.300 0.054 0.000 1.018 322 V CB -0.854 31.047 31.823 0.131 0.000 0.641 322 V HN 0.490 nan 8.190 nan 0.000 0.445 323 A N -0.129 122.752 122.820 0.101 0.000 1.917 323 A HA -0.229 3.989 4.320 -0.170 0.000 0.219 323 A C 2.427 180.044 177.584 0.055 0.000 1.182 323 A CA 2.574 54.661 52.037 0.084 0.000 0.633 323 A CB -0.918 18.130 19.000 0.081 0.000 0.819 323 A HN 0.639 nan 8.150 nan 0.000 0.448 324 A N -0.084 122.755 122.820 0.032 0.000 1.851 324 A HA -0.206 4.012 4.320 -0.170 0.000 0.216 324 A C 2.101 179.701 177.584 0.027 0.000 1.195 324 A CA 1.857 53.899 52.037 0.009 0.000 0.622 324 A CB -0.537 18.458 19.000 -0.008 0.000 0.831 324 A HN 0.518 nan 8.150 nan 0.000 0.444 325 K N -0.924 119.506 120.400 0.050 0.000 2.160 325 K HA -0.150 4.068 4.320 -0.170 0.000 0.206 325 K C 1.757 178.497 176.600 0.234 0.000 1.047 325 K CA 1.259 57.625 56.287 0.132 0.000 0.930 325 K CB -0.417 32.069 32.500 -0.024 0.000 0.720 325 K HN 0.327 nan 8.250 nan 0.000 0.450 326 L N 0.746 122.055 121.223 0.144 0.000 2.109 326 L HA -0.053 4.185 4.340 -0.170 0.000 0.207 326 L C 2.374 179.296 176.870 0.085 0.000 1.086 326 L CA 1.414 56.337 54.840 0.139 0.000 0.760 326 L CB -0.896 41.228 42.059 0.109 0.000 0.910 326 L HN 0.107 nan 8.230 nan 0.000 0.437 327 A N -0.594 122.254 122.820 0.046 0.000 2.024 327 A HA -0.123 4.095 4.320 -0.170 0.000 0.220 327 A C 1.780 179.347 177.584 -0.028 0.000 1.164 327 A CA 1.632 53.671 52.037 0.003 0.000 0.643 327 A CB -0.832 18.154 19.000 -0.024 0.000 0.806 327 A HN 0.325 nan 8.150 nan 0.000 0.451 328 V N -4.169 115.730 119.914 -0.025 0.000 3.331 328 V HA 0.593 4.610 4.120 -0.170 0.000 0.332 328 V C 1.152 177.225 176.094 -0.036 0.000 1.341 328 V CA 0.530 62.786 62.300 -0.074 0.000 1.218 328 V CB -0.915 30.752 31.823 -0.259 0.000 1.152 328 V HN 1.302 nan 8.190 nan 0.000 0.445 329 G N -0.735 108.058 108.800 -0.012 0.000 2.213 329 G HA2 -0.279 3.579 3.960 -0.170 0.000 0.226 329 G HA3 -0.279 3.579 3.960 -0.170 0.000 0.226 329 G C -0.078 174.778 174.900 -0.072 0.000 0.992 329 G CA 0.092 45.156 45.100 -0.060 0.000 0.632 329 G HN 0.573 nan 8.290 nan 0.000 0.511 330 Y N 2.243 122.572 120.300 0.049 0.000 2.357 330 Y HA 0.450 4.898 4.550 -0.170 0.000 0.340 330 Y C 1.525 177.455 175.900 0.049 0.000 1.260 330 Y CA 0.885 59.016 58.100 0.052 0.000 1.425 330 Y CB 0.864 39.358 38.460 0.056 0.000 1.326 330 Y HN 0.273 nan 8.280 nan 0.000 0.580 331 T N -1.179 113.522 114.554 0.246 0.000 2.940 331 T HA 0.377 4.625 4.350 -0.170 0.000 0.288 331 T C 0.815 175.611 174.700 0.160 0.000 1.033 331 T CA -0.932 61.263 62.100 0.159 0.000 1.033 331 T CB 1.102 70.037 68.868 0.111 0.000 1.079 331 T HN 0.619 nan 8.240 nan 0.000 0.496 332 L N 0.914 122.219 121.223 0.136 0.000 2.042 332 L HA -0.101 4.137 4.340 -0.170 0.000 0.210 332 L C 2.568 179.515 176.870 0.128 0.000 1.076 332 L CA 1.762 56.689 54.840 0.144 0.000 0.749 332 L CB -0.609 41.548 42.059 0.163 0.000 0.893 332 L HN 0.836 nan 8.230 nan 0.000 0.432 333 D N -0.424 120.043 120.400 0.112 0.000 2.350 333 D HA -0.197 4.340 4.640 -0.170 0.000 0.216 333 D C 1.454 177.801 176.300 0.078 0.000 0.968 333 D CA 0.901 54.955 54.000 0.090 0.000 0.894 333 D CB -0.132 40.715 40.800 0.077 0.000 0.909 333 D HN 0.485 nan 8.370 nan 0.000 0.520 334 E N -0.236 120.026 120.200 0.103 0.000 2.340 334 E HA 0.187 4.435 4.350 -0.170 0.000 0.194 334 E C 0.506 177.138 176.600 0.053 0.000 0.996 334 E CA -0.079 56.390 56.400 0.114 0.000 0.869 334 E CB 0.590 30.429 29.700 0.231 0.000 0.835 334 E HN 0.285 nan 8.360 nan 0.000 0.493 335 L N 1.454 122.690 121.223 0.022 0.000 2.343 335 L HA 0.318 4.556 4.340 -0.170 0.000 0.275 335 L C 0.095 176.940 176.870 -0.042 0.000 1.056 335 L CA -0.669 54.136 54.840 -0.057 0.000 0.804 335 L CB 0.921 42.941 42.059 -0.066 0.000 1.203 335 L HN -0.019 nan 8.230 nan 0.000 0.440 336 M N 1.806 121.362 119.600 -0.073 0.000 2.363 336 M HA 0.214 4.592 4.480 -0.170 0.000 0.343 336 M C -0.334 175.912 176.300 -0.091 0.000 1.165 336 M CA -0.674 54.580 55.300 -0.076 0.000 1.046 336 M CB 0.928 33.484 32.600 -0.074 0.000 1.648 336 M HN 0.393 nan 8.290 nan 0.000 0.452 337 N N 2.219 120.857 118.700 -0.104 0.000 2.406 337 N HA 0.009 4.646 4.740 -0.170 0.000 0.265 337 N C 0.374 175.826 175.510 -0.097 0.000 1.203 337 N CA 0.293 53.280 53.050 -0.104 0.000 0.945 337 N CB 0.371 38.785 38.487 -0.122 0.000 1.165 337 N HN 0.392 nan 8.380 nan 0.000 0.485 338 D N 2.393 122.751 120.400 -0.070 0.000 2.154 338 D HA -0.264 4.274 4.640 -0.170 0.000 0.190 338 D C 1.650 177.892 176.300 -0.097 0.000 1.003 338 D CA 1.810 55.792 54.000 -0.030 0.000 0.849 338 D CB -0.222 40.643 40.800 0.108 0.000 0.942 338 D HN 0.826 nan 8.370 nan 0.000 0.446 339 I N -1.273 119.201 120.570 -0.159 0.000 3.291 339 I HA -0.011 4.057 4.170 -0.170 0.000 0.279 339 I C 1.172 177.237 176.117 -0.086 0.000 1.294 339 I CA 1.083 62.271 61.300 -0.188 0.000 1.428 339 I CB -0.265 37.550 38.000 -0.310 0.000 1.070 339 I HN -0.113 nan 8.210 nan 0.000 0.478 340 T N -2.385 112.118 114.554 -0.084 0.000 3.145 340 T HA 0.494 4.741 4.350 -0.170 0.000 0.255 340 T C 1.383 176.043 174.700 -0.067 0.000 1.039 340 T CA 0.153 62.211 62.100 -0.070 0.000 0.928 340 T CB 0.218 68.999 68.868 -0.144 0.000 1.029 340 T HN 0.669 nan 8.240 nan 0.000 0.554 341 G N 0.668 109.429 108.800 -0.064 0.000 2.132 341 G HA2 0.109 3.967 3.960 -0.170 0.000 0.234 341 G HA3 0.109 3.967 3.960 -0.170 0.000 0.234 341 G C 1.055 175.921 174.900 -0.056 0.000 0.989 341 G CA 0.192 45.264 45.100 -0.046 0.000 0.676 341 G HN 1.709 nan 8.290 nan 0.000 0.522 342 G N -0.150 108.601 108.800 -0.081 0.000 2.184 342 G HA2 -0.297 3.560 3.960 -0.170 0.000 0.264 342 G HA3 -0.297 3.560 3.960 -0.170 0.000 0.264 342 G C 1.423 176.259 174.900 -0.107 0.000 0.975 342 G CA 1.624 46.672 45.100 -0.086 0.000 0.642 342 G HN 1.770 nan 8.290 nan 0.000 0.536 343 R N 0.425 120.852 120.500 -0.122 0.000 2.080 343 R HA -0.009 4.228 4.340 -0.170 0.000 0.236 343 R C 1.535 177.708 176.300 -0.212 0.000 1.137 343 R CA 1.966 57.984 56.100 -0.136 0.000 0.943 343 R CB -1.207 29.032 30.300 -0.103 0.000 0.846 343 R HN 0.856 nan 8.270 nan 0.000 0.431 344 T N -0.905 113.445 114.554 -0.339 0.000 2.944 344 T HA 0.534 4.781 4.350 -0.170 0.000 0.284 344 T C -2.480 172.039 174.700 -0.301 0.000 1.010 344 T CA -2.463 59.374 62.100 -0.438 0.000 1.025 344 T CB 2.126 70.491 68.868 -0.838 0.000 1.079 344 T HN 0.069 nan 8.240 nan 0.000 0.516 345 P HA 0.350 nan 4.420 nan 0.000 0.276 345 P C 0.261 177.595 177.300 0.057 0.000 1.261 345 P CA -0.584 62.475 63.100 -0.067 0.000 0.800 345 P CB 0.573 32.276 31.700 0.005 0.000 1.066 346 A N 0.428 123.348 122.820 0.165 0.000 2.178 346 A HA 0.033 4.250 4.320 -0.170 0.000 0.211 346 A C 1.121 179.025 177.584 0.533 0.000 1.157 346 A CA 0.514 52.748 52.037 0.328 0.000 0.780 346 A CB -1.138 17.922 19.000 0.101 0.000 0.828 346 A HN 0.577 nan 8.150 nan 0.000 0.476 347 S N 0.769 116.693 115.700 0.373 0.000 3.517 347 S HA 0.527 4.894 4.470 -0.170 0.000 0.284 347 S C -0.315 174.534 174.600 0.415 0.000 1.260 347 S CA -0.407 57.975 58.200 0.304 0.000 0.975 347 S CB -1.381 61.929 63.200 0.183 0.000 1.540 347 S HN 0.857 nan 8.310 nan 0.000 0.506 348 F N -1.560 118.484 119.950 0.156 0.000 2.858 348 F HA 0.620 5.045 4.527 -0.170 0.000 0.319 348 F C -1.585 174.279 175.800 0.107 0.000 1.166 348 F CA -1.268 56.802 58.000 0.117 0.000 0.899 348 F CB 0.816 39.876 39.000 0.101 0.000 1.332 348 F HN 0.168 nan 8.300 nan 0.000 0.461 349 E N 2.519 122.677 120.200 -0.069 0.000 2.129 349 E HA 0.384 4.632 4.350 -0.170 0.000 0.268 349 E C -2.633 173.890 176.600 -0.128 0.000 0.900 349 E CA -2.006 54.259 56.400 -0.225 0.000 0.755 349 E CB 1.632 31.303 29.700 -0.048 0.000 1.117 349 E HN 0.280 nan 8.360 nan 0.000 0.410 350 P HA -0.021 nan 4.420 nan 0.000 0.270 350 P C -0.652 176.693 177.300 0.075 0.000 1.223 350 P CA -0.162 62.964 63.100 0.042 0.000 0.785 350 P CB 0.717 32.429 31.700 0.020 0.000 0.923 351 S N 1.099 116.871 115.700 0.120 0.000 2.619 351 S HA 0.683 5.050 4.470 -0.170 0.000 0.280 351 S C -0.641 173.928 174.600 -0.051 0.000 1.150 351 S CA -0.810 57.401 58.200 0.018 0.000 0.978 351 S CB -0.053 63.172 63.200 0.041 0.000 1.041 351 S HN 0.369 nan 8.310 nan 0.000 0.485 352 I N 1.600 122.052 120.570 -0.197 0.000 2.693 352 I HA 0.704 4.772 4.170 -0.170 0.000 0.303 352 I C -0.683 175.161 176.117 -0.455 0.000 1.025 352 I CA -0.933 60.084 61.300 -0.472 0.000 1.086 352 I CB 2.116 39.583 38.000 -0.889 0.000 1.268 352 I HN 0.526 nan 8.210 nan 0.000 0.440 353 D N 3.894 123.998 120.400 -0.493 0.000 2.755 353 D HA 0.267 4.805 4.640 -0.170 0.000 0.257 353 D C -0.571 175.710 176.300 -0.032 0.000 1.291 353 D CA -0.143 53.760 54.000 -0.161 0.000 0.836 353 D CB -0.339 40.480 40.800 0.032 0.000 1.059 353 D HN 0.739 nan 8.370 nan 0.000 0.486 354 Y N -3.513 116.782 120.300 -0.008 0.000 2.871 354 Y HA 0.666 5.113 4.550 -0.170 0.000 0.331 354 Y C -1.617 174.251 175.900 -0.054 0.000 1.378 354 Y CA -1.728 56.338 58.100 -0.057 0.000 1.079 354 Y CB 0.796 39.115 38.460 -0.236 0.000 1.441 354 Y HN -0.231 nan 8.280 nan 0.000 0.446 355 V N 2.079 122.124 119.914 0.219 0.000 2.487 355 V HA 0.579 4.597 4.120 -0.170 0.000 0.298 355 V C -0.754 175.426 176.094 0.143 0.000 1.028 355 V CA -0.831 61.567 62.300 0.163 0.000 0.860 355 V CB 1.395 33.320 31.823 0.171 0.000 0.991 355 V HN 0.650 nan 8.190 nan 0.000 0.427 356 V N 3.905 123.897 119.914 0.131 0.000 2.427 356 V HA 0.566 4.584 4.120 -0.170 0.000 0.286 356 V C 0.275 176.402 176.094 0.055 0.000 1.034 356 V CA -0.170 62.161 62.300 0.052 0.000 0.893 356 V CB 1.910 33.760 31.823 0.045 0.000 0.982 356 V HN 0.960 nan 8.190 nan 0.000 0.452 357 T N 5.066 119.633 114.554 0.022 0.000 2.841 357 T HA 0.480 4.728 4.350 -0.170 0.000 0.283 357 T C -0.540 174.156 174.700 -0.007 0.000 1.000 357 T CA -0.708 61.403 62.100 0.017 0.000 0.977 357 T CB 1.649 70.518 68.868 0.001 0.000 0.979 357 T HN 0.664 nan 8.240 nan 0.000 0.446 358 K N 3.314 123.704 120.400 -0.017 0.000 2.345 358 K HA 0.623 4.841 4.320 -0.170 0.000 0.255 358 K C -1.501 175.070 176.600 -0.049 0.000 0.934 358 K CA -0.723 55.554 56.287 -0.017 0.000 0.801 358 K CB 1.139 33.637 32.500 -0.003 0.000 1.137 358 K HN 0.596 nan 8.250 nan 0.000 0.424 359 I N 5.836 126.377 120.570 -0.049 0.000 2.418 359 I HA 0.332 4.400 4.170 -0.170 0.000 0.287 359 I C -2.238 173.845 176.117 -0.057 0.000 1.008 359 I CA -2.639 58.624 61.300 -0.062 0.000 1.104 359 I CB 2.042 39.991 38.000 -0.085 0.000 1.264 359 I HN 0.469 nan 8.210 nan 0.000 0.438 360 P HA 0.209 nan 4.420 nan 0.000 0.272 360 P C -0.955 176.134 177.300 -0.352 0.000 1.223 360 P CA -0.527 62.421 63.100 -0.255 0.000 0.784 360 P CB 0.804 32.283 31.700 -0.368 0.000 0.923 361 R N 1.622 121.842 120.500 -0.466 0.000 2.494 361 R HA 0.623 4.861 4.340 -0.170 0.000 0.305 361 R C -1.234 174.747 176.300 -0.531 0.000 0.959 361 R CA -0.379 55.536 56.100 -0.307 0.000 0.864 361 R CB 0.167 30.389 30.300 -0.130 0.000 1.159 361 R HN 0.264 nan 8.270 nan 0.000 0.446 362 F N 1.548 121.490 119.950 -0.014 0.000 2.572 362 F HA 0.470 4.888 4.527 -0.182 0.000 0.342 362 F C 0.667 176.387 175.800 -0.133 0.000 1.064 362 F CA -0.770 57.145 58.000 -0.142 0.000 1.008 362 F CB 1.939 40.825 39.000 -0.189 0.000 1.303 362 F HN 0.563 nan 8.300 nan 0.000 0.492 363 N N -0.148 118.534 118.700 -0.029 0.000 2.547 363 N HA 0.202 4.839 4.740 -0.170 0.000 0.285 363 N C 0.301 175.836 175.510 0.041 0.000 1.600 363 N CA -0.002 53.062 53.050 0.024 0.000 0.872 363 N CB 0.192 38.743 38.487 0.107 0.000 1.412 363 N HN 0.356 nan 8.380 nan 0.000 0.489 364 F N 1.761 121.814 119.950 0.171 0.000 2.202 364 F HA -0.198 4.214 4.527 -0.192 0.000 0.301 364 F C 2.727 178.529 175.800 0.004 0.000 1.082 364 F CA 1.004 59.053 58.000 0.082 0.000 1.313 364 F CB -0.064 38.954 39.000 0.031 0.000 1.024 364 F HN 0.328 nan 8.300 nan 0.000 0.495 365 E N 1.237 121.520 120.200 0.139 0.000 2.265 365 E HA -0.216 4.032 4.350 -0.170 0.000 0.196 365 E C 1.415 177.942 176.600 -0.121 0.000 0.996 365 E CA 1.198 57.607 56.400 0.014 0.000 0.832 365 E CB -0.670 29.025 29.700 -0.008 0.000 0.756 365 E HN 0.411 nan 8.360 nan 0.000 0.491 366 K N -0.112 120.115 120.400 -0.290 0.000 2.418 366 K HA 0.069 4.286 4.320 -0.170 0.000 0.195 366 K C -0.078 175.917 176.600 -1.008 0.000 1.035 366 K CA 0.332 56.217 56.287 -0.670 0.000 1.003 366 K CB 0.069 32.033 32.500 -0.894 0.000 0.793 366 K HN 0.096 nan 8.250 nan 0.000 0.494 367 F N -0.004 119.896 119.950 -0.083 0.000 2.530 367 F HA 0.340 4.864 4.527 -0.004 0.000 0.318 367 F C 1.162 176.940 175.800 -0.038 0.000 1.356 367 F CA -0.835 57.104 58.000 -0.101 0.000 1.135 367 F CB 0.383 39.148 39.000 -0.391 0.000 1.315 367 F HN -0.142 nan 8.300 nan 0.000 0.549 368 A N 1.161 124.006 122.820 0.042 0.000 1.896 368 A HA -0.225 3.992 4.320 -0.170 0.000 0.220 368 A C 2.478 180.092 177.584 0.051 0.000 1.206 368 A CA 2.400 54.457 52.037 0.034 0.000 0.647 368 A CB -1.179 17.825 19.000 0.006 0.000 0.828 368 A HN 0.692 nan 8.150 nan 0.000 0.455 369 G N -1.206 107.639 108.800 0.076 0.000 2.650 369 G HA2 0.351 4.208 3.960 -0.170 0.000 0.214 369 G HA3 0.351 4.208 3.960 -0.170 0.000 0.214 369 G C 0.702 175.652 174.900 0.083 0.000 1.136 369 G CA 0.802 45.942 45.100 0.066 0.000 0.789 369 G HN 0.907 nan 8.290 nan 0.000 0.536 370 A N 0.323 123.216 122.820 0.122 0.000 2.366 370 A HA 0.410 4.628 4.320 -0.170 0.000 0.249 370 A C 0.473 178.087 177.584 0.050 0.000 1.084 370 A CA -0.516 51.605 52.037 0.140 0.000 0.794 370 A CB 0.263 19.368 19.000 0.175 0.000 1.034 370 A HN 0.228 nan 8.150 nan 0.000 0.491 371 N N 0.866 119.611 118.700 0.074 0.000 2.420 371 N HA 0.034 4.672 4.740 -0.170 0.000 0.262 371 N C -0.399 175.026 175.510 -0.142 0.000 1.144 371 N CA 0.042 53.079 53.050 -0.022 0.000 0.952 371 N CB 0.925 39.430 38.487 0.029 0.000 1.081 371 N HN 0.577 nan 8.380 nan 0.000 0.480 372 D N 2.126 122.258 120.400 -0.447 0.000 2.325 372 D HA 0.046 4.584 4.640 -0.170 0.000 0.225 372 D C -0.027 175.867 176.300 -0.676 0.000 1.096 372 D CA -0.014 53.312 54.000 -1.123 0.000 0.844 372 D CB 0.173 40.218 40.800 -1.258 0.000 0.925 372 D HN 0.179 nan 8.370 nan 0.000 0.513 373 R N 0.649 120.971 120.500 -0.296 0.000 2.490 373 R HA 0.402 4.639 4.340 -0.170 0.000 0.278 373 R C 0.220 176.502 176.300 -0.030 0.000 1.069 373 R CA -0.637 55.373 56.100 -0.151 0.000 1.080 373 R CB 0.959 31.209 30.300 -0.084 0.000 1.030 373 R HN 0.196 nan 8.270 nan 0.000 0.491 374 L N 1.127 122.356 121.223 0.009 0.000 2.326 374 L HA 0.336 4.573 4.340 -0.170 0.000 0.278 374 L C 1.169 178.110 176.870 0.119 0.000 1.092 374 L CA 0.024 54.925 54.840 0.102 0.000 0.810 374 L CB 1.162 43.291 42.059 0.116 0.000 1.153 374 L HN 0.638 nan 8.230 nan 0.000 0.439 375 T N -1.056 113.587 114.554 0.148 0.000 2.564 375 T HA 0.169 4.416 4.350 -0.170 0.000 0.265 375 T C 0.989 175.777 174.700 0.145 0.000 0.908 375 T CA 0.431 62.610 62.100 0.132 0.000 1.166 375 T CB 1.189 70.126 68.868 0.114 0.000 1.497 375 T HN 0.719 nan 8.240 nan 0.000 0.484 376 T N -0.563 114.060 114.554 0.115 0.000 3.088 376 T HA 0.182 4.429 4.350 -0.170 0.000 0.259 376 T C 0.740 175.523 174.700 0.139 0.000 1.122 376 T CA 0.421 62.610 62.100 0.148 0.000 1.095 376 T CB -0.108 68.814 68.868 0.090 0.000 0.930 376 T HN 0.485 nan 8.240 nan 0.000 0.508 377 Q N 1.103 120.932 119.800 0.049 0.000 2.278 377 Q HA 0.390 4.628 4.340 -0.170 0.000 0.257 377 Q C -0.609 175.355 176.000 -0.061 0.000 0.928 377 Q CA -0.499 55.272 55.803 -0.053 0.000 0.932 377 Q CB 0.951 29.655 28.738 -0.056 0.000 1.221 377 Q HN 0.430 nan 8.270 nan 0.000 0.434 378 M N 3.613 123.082 119.600 -0.218 0.000 2.249 378 M HA -0.004 4.374 4.480 -0.170 0.000 0.340 378 M C 0.509 176.787 176.300 -0.037 0.000 1.166 378 M CA 1.198 56.423 55.300 -0.124 0.000 1.115 378 M CB 0.503 32.948 32.600 -0.258 0.000 1.606 378 M HN 0.563 nan 8.290 nan 0.000 0.448 379 K N 0.246 120.727 120.400 0.135 0.000 2.517 379 K HA 0.127 4.344 4.320 -0.170 0.000 0.210 379 K C 0.011 176.730 176.600 0.198 0.000 1.166 379 K CA -0.087 56.324 56.287 0.206 0.000 1.030 379 K CB 0.826 33.632 32.500 0.509 0.000 0.974 379 K HN 0.748 nan 8.250 nan 0.000 0.585 380 S N 0.495 116.224 115.700 0.049 0.000 2.592 380 S HA 0.122 4.490 4.470 -0.170 0.000 0.271 380 S C 1.293 175.776 174.600 -0.195 0.000 1.326 380 S CA -0.738 57.250 58.200 -0.355 0.000 1.024 380 S CB 1.524 64.276 63.200 -0.747 0.000 0.921 380 S HN 0.033 nan 8.310 nan 0.000 0.527 381 V N -1.095 118.699 119.914 -0.200 0.000 3.431 381 V HA 0.576 4.594 4.120 -0.170 0.000 0.253 381 V C 0.895 176.925 176.094 -0.108 0.000 1.184 381 V CA 0.795 63.036 62.300 -0.098 0.000 1.104 381 V CB -0.978 30.826 31.823 -0.032 0.000 0.799 381 V HN 1.073 nan 8.190 nan 0.000 0.462 382 G N 0.444 109.147 108.800 -0.161 0.000 2.815 382 G HA2 0.718 4.575 3.960 -0.170 0.000 0.305 382 G HA3 0.718 4.575 3.960 -0.170 0.000 0.305 382 G C -1.624 173.183 174.900 -0.154 0.000 1.277 382 G CA -0.080 44.947 45.100 -0.122 0.000 0.795 382 G HN 0.643 nan 8.290 nan 0.000 0.528 383 E N -2.105 118.036 120.200 -0.099 0.000 2.388 383 E HA 0.547 4.794 4.350 -0.170 0.000 0.281 383 E C -2.070 174.513 176.600 -0.028 0.000 1.046 383 E CA -0.898 55.454 56.400 -0.080 0.000 0.825 383 E CB 2.181 31.839 29.700 -0.071 0.000 1.243 383 E HN 0.773 nan 8.360 nan 0.000 0.438 384 V N 2.508 122.419 119.914 -0.005 0.000 2.960 384 V HA 0.763 4.780 4.120 -0.170 0.000 0.315 384 V C -0.943 175.200 176.094 0.082 0.000 1.087 384 V CA -0.752 61.573 62.300 0.042 0.000 0.982 384 V CB 1.953 33.796 31.823 0.033 0.000 1.039 384 V HN 0.850 nan 8.190 nan 0.000 0.437 385 M N 5.216 124.933 119.600 0.195 0.000 2.591 385 M HA 0.915 5.293 4.480 -0.170 0.000 0.306 385 M C -1.256 175.192 176.300 0.248 0.000 1.190 385 M CA -0.466 54.948 55.300 0.189 0.000 0.889 385 M CB 2.126 34.812 32.600 0.144 0.000 1.728 385 M HN 0.886 nan 8.290 nan 0.000 0.458 386 A N 3.716 126.593 122.820 0.094 0.000 2.539 386 A HA 0.858 5.076 4.320 -0.170 0.000 0.296 386 A C -1.637 175.918 177.584 -0.049 0.000 1.073 386 A CA -0.781 51.307 52.037 0.086 0.000 0.700 386 A CB 1.600 20.637 19.000 0.061 0.000 1.296 386 A HN 0.873 nan 8.150 nan 0.000 0.405 387 I N 0.968 121.477 120.570 -0.102 0.000 2.498 387 I HA 0.663 4.731 4.170 -0.170 0.000 0.290 387 I C 0.429 176.398 176.117 -0.248 0.000 1.032 387 I CA -0.533 60.566 61.300 -0.336 0.000 1.073 387 I CB 2.399 39.910 38.000 -0.816 0.000 1.251 387 I HN 0.822 nan 8.210 nan 0.000 0.426 388 G N 3.844 112.535 108.800 -0.182 0.000 2.660 388 G HA2 0.385 4.243 3.960 -0.170 0.000 0.294 388 G HA3 0.385 4.243 3.960 -0.170 0.000 0.294 388 G C 0.074 175.006 174.900 0.052 0.000 1.369 388 G CA -0.481 44.613 45.100 -0.010 0.000 0.912 388 G HN 0.449 nan 8.290 nan 0.000 0.479 389 R N -0.682 119.912 120.500 0.157 0.000 2.276 389 R HA 0.073 4.311 4.340 -0.170 0.000 0.203 389 R C 0.856 177.243 176.300 0.146 0.000 1.017 389 R CA 1.123 57.338 56.100 0.192 0.000 1.010 389 R CB -0.203 30.219 30.300 0.203 0.000 0.900 389 R HN 0.734 nan 8.270 nan 0.000 0.469 390 T N -4.547 110.082 114.554 0.124 0.000 2.883 390 T HA 0.178 4.426 4.350 -0.170 0.000 0.301 390 T C 0.629 175.397 174.700 0.112 0.000 1.158 390 T CA -0.879 61.289 62.100 0.113 0.000 1.007 390 T CB 2.189 71.107 68.868 0.082 0.000 1.186 390 T HN -0.218 nan 8.240 nan 0.000 0.499 391 Q N 0.709 120.591 119.800 0.137 0.000 2.096 391 Q HA -0.154 4.084 4.340 -0.170 0.000 0.204 391 Q C 2.179 178.239 176.000 0.100 0.000 0.982 391 Q CA 2.164 58.069 55.803 0.169 0.000 0.850 391 Q CB -0.519 28.342 28.738 0.205 0.000 0.901 391 Q HN 0.806 nan 8.270 nan 0.000 0.422 392 Q N -0.243 119.581 119.800 0.040 0.000 2.050 392 Q HA -0.213 4.025 4.340 -0.170 0.000 0.202 392 Q C 2.049 178.049 176.000 0.001 0.000 0.980 392 Q CA 1.726 57.537 55.803 0.013 0.000 0.840 392 Q CB -0.178 28.547 28.738 -0.022 0.000 0.898 392 Q HN 0.596 nan 8.270 nan 0.000 0.424 393 E N -0.260 119.953 120.200 0.022 0.000 2.110 393 E HA -0.202 4.046 4.350 -0.170 0.000 0.193 393 E C 2.005 178.622 176.600 0.029 0.000 0.988 393 E CA 1.287 57.705 56.400 0.030 0.000 0.804 393 E CB -0.074 29.674 29.700 0.079 0.000 0.745 393 E HN 0.165 nan 8.360 nan 0.000 0.458 394 S N -0.218 115.507 115.700 0.042 0.000 2.368 394 S HA -0.131 4.237 4.470 -0.170 0.000 0.224 394 S C 1.930 176.533 174.600 0.005 0.000 1.029 394 S CA 1.003 59.222 58.200 0.031 0.000 0.988 394 S CB -0.284 62.948 63.200 0.053 0.000 0.838 394 S HN 0.367 nan 8.310 nan 0.000 0.462 395 L N 1.917 123.143 121.223 0.005 0.000 2.027 395 L HA 0.009 4.247 4.340 -0.170 0.000 0.206 395 L C 2.439 179.232 176.870 -0.130 0.000 1.074 395 L CA 1.890 56.698 54.840 -0.053 0.000 0.745 395 L CB -0.991 41.070 42.059 0.003 0.000 0.898 395 L HN 0.338 nan 8.230 nan 0.000 0.433 396 Q N -0.306 119.422 119.800 -0.119 0.000 2.124 396 Q HA -0.232 4.006 4.340 -0.170 0.000 0.202 396 Q C 2.206 178.137 176.000 -0.115 0.000 0.977 396 Q CA 1.704 57.394 55.803 -0.189 0.000 0.850 396 Q CB -0.183 28.429 28.738 -0.210 0.000 0.901 396 Q HN 0.588 nan 8.270 nan 0.000 0.429 397 K N 0.635 121.008 120.400 -0.044 0.000 2.032 397 K HA -0.141 4.076 4.320 -0.170 0.000 0.209 397 K C 2.175 178.777 176.600 0.003 0.000 1.048 397 K CA 1.239 57.532 56.287 0.010 0.000 0.927 397 K CB -0.221 32.313 32.500 0.057 0.000 0.712 397 K HN 0.134 nan 8.250 nan 0.000 0.441 398 A N 1.523 124.330 122.820 -0.021 0.000 1.883 398 A HA -0.167 4.051 4.320 -0.170 0.000 0.217 398 A C 2.167 179.722 177.584 -0.048 0.000 1.186 398 A CA 1.384 53.407 52.037 -0.023 0.000 0.624 398 A CB -0.757 18.215 19.000 -0.046 0.000 0.822 398 A HN 0.170 nan 8.150 nan 0.000 0.444 399 L N -0.303 120.846 121.223 -0.123 0.000 2.042 399 L HA -0.253 3.985 4.340 -0.170 0.000 0.210 399 L C 2.798 179.668 176.870 0.000 0.000 1.076 399 L CA 2.027 56.804 54.840 -0.105 0.000 0.749 399 L CB -0.519 41.359 42.059 -0.302 0.000 0.893 399 L HN 0.618 nan 8.230 nan 0.000 0.432 400 R N 0.139 120.627 120.500 -0.019 0.000 2.235 400 R HA -0.029 4.209 4.340 -0.170 0.000 0.213 400 R C 1.784 178.099 176.300 0.024 0.000 1.059 400 R CA 1.184 57.292 56.100 0.014 0.000 0.997 400 R CB -0.521 29.789 30.300 0.017 0.000 0.884 400 R HN 0.249 nan 8.270 nan 0.000 0.462 401 G N 0.712 109.528 108.800 0.025 0.000 3.088 401 G HA2 -0.015 3.842 3.960 -0.170 0.000 0.217 401 G HA3 -0.015 3.842 3.960 -0.170 0.000 0.217 401 G C 0.996 175.910 174.900 0.023 0.000 1.159 401 G CA -0.375 44.742 45.100 0.027 0.000 0.760 401 G HN 0.207 nan 8.290 nan 0.000 0.550 402 L N 0.268 121.514 121.223 0.037 0.000 2.362 402 L HA 0.132 4.369 4.340 -0.170 0.000 0.219 402 L C 1.093 177.984 176.870 0.036 0.000 1.134 402 L CA 0.838 55.709 54.840 0.052 0.000 0.807 402 L CB -0.152 41.974 42.059 0.111 0.000 0.927 402 L HN 0.181 nan 8.230 nan 0.000 0.447 403 E N -1.022 119.189 120.200 0.018 0.000 2.637 403 E HA -0.179 4.068 4.350 -0.170 0.000 0.265 403 E C 0.790 177.385 176.600 -0.007 0.000 1.073 403 E CA 0.964 57.360 56.400 -0.006 0.000 0.778 403 E CB -2.120 27.568 29.700 -0.021 0.000 1.362 403 E HN 0.472 nan 8.360 nan 0.000 0.413 404 V N -4.219 115.695 119.914 -0.000 0.000 3.380 404 V HA 0.595 4.612 4.120 -0.170 0.000 0.307 404 V C 1.299 177.341 176.094 -0.087 0.000 1.434 404 V CA 0.892 63.171 62.300 -0.034 0.000 1.075 404 V CB 0.723 32.530 31.823 -0.026 0.000 0.954 404 V HN 0.573 nan 8.190 nan 0.000 0.444 405 G N 0.123 108.886 108.800 -0.062 0.000 2.141 405 G HA2 -0.018 3.840 3.960 -0.170 0.000 0.242 405 G HA3 -0.018 3.840 3.960 -0.170 0.000 0.242 405 G C 0.287 175.133 174.900 -0.090 0.000 0.982 405 G CA 0.223 45.277 45.100 -0.076 0.000 0.662 405 G HN 1.665 nan 8.290 nan 0.000 0.527 406 A N -0.058 122.721 122.820 -0.068 0.000 2.306 406 A HA 0.841 5.059 4.320 -0.170 0.000 0.314 406 A C 1.199 178.800 177.584 0.028 0.000 1.164 406 A CA 0.911 52.931 52.037 -0.028 0.000 0.822 406 A CB 0.926 19.972 19.000 0.076 0.000 1.130 406 A HN 1.458 nan 8.150 nan 0.000 0.496 407 T N -1.244 113.336 114.554 0.044 0.000 3.044 407 T HA 0.547 4.795 4.350 -0.170 0.000 0.260 407 T C 0.828 175.562 174.700 0.057 0.000 1.019 407 T CA 0.953 63.083 62.100 0.050 0.000 0.921 407 T CB -0.145 68.757 68.868 0.057 0.000 1.053 407 T HN 2.169 nan 8.240 nan 0.000 0.533 408 G N 1.396 110.229 108.800 0.055 0.000 2.451 408 G HA2 0.199 4.057 3.960 -0.170 0.000 0.083 408 G HA3 0.199 4.057 3.960 -0.170 0.000 0.083 408 G C -1.295 173.603 174.900 -0.003 0.000 1.107 408 G CA -0.794 44.273 45.100 -0.056 0.000 1.117 408 G HN 0.174 nan 8.290 nan 0.000 0.454 409 F N 3.343 123.421 119.950 0.214 0.000 2.752 409 F HA 0.365 4.790 4.527 -0.170 0.000 0.332 409 F C 0.069 176.051 175.800 0.304 0.000 1.188 409 F CA -0.446 57.729 58.000 0.292 0.000 1.296 409 F CB -0.098 38.995 39.000 0.155 0.000 1.526 409 F HN 0.127 nan 8.300 nan 0.000 0.576 410 D N 2.708 123.336 120.400 0.380 0.000 2.455 410 D HA 0.074 4.612 4.640 -0.170 0.000 0.241 410 D C -2.215 174.172 176.300 0.145 0.000 1.138 410 D CA -0.976 53.128 54.000 0.174 0.000 0.877 410 D CB 0.275 41.080 40.800 0.009 0.000 1.187 410 D HN 0.102 nan 8.370 nan 0.000 0.451 411 P HA 0.038 nan 4.420 nan 0.000 0.269 411 P C 0.025 177.290 177.300 -0.058 0.000 1.209 411 P CA -0.235 62.894 63.100 0.050 0.000 0.776 411 P CB 0.953 32.683 31.700 0.050 0.000 0.876 412 K N 1.049 121.370 120.400 -0.132 0.000 2.350 412 K HA 0.132 4.350 4.320 -0.170 0.000 0.196 412 K C 0.256 176.800 176.600 -0.093 0.000 1.084 412 K CA 0.432 56.568 56.287 -0.253 0.000 0.967 412 K CB 0.377 32.434 32.500 -0.738 0.000 0.950 412 K HN 0.414 nan 8.250 nan 0.000 0.512 413 V N -2.258 117.649 119.914 -0.012 0.000 2.914 413 V HA 0.549 4.567 4.120 -0.170 0.000 0.314 413 V C -0.086 176.035 176.094 0.046 0.000 1.084 413 V CA -1.171 61.167 62.300 0.063 0.000 0.963 413 V CB 1.706 33.614 31.823 0.141 0.000 1.025 413 V HN -0.058 nan 8.190 nan 0.000 0.432 414 S N 1.024 116.750 115.700 0.043 0.000 2.585 414 S HA 0.461 4.829 4.470 -0.170 0.000 0.273 414 S C 0.900 175.525 174.600 0.042 0.000 1.339 414 S CA -0.461 57.761 58.200 0.036 0.000 1.028 414 S CB 0.631 63.848 63.200 0.028 0.000 0.906 414 S HN 0.745 nan 8.310 nan 0.000 0.528 415 L N 2.013 123.260 121.223 0.039 0.000 2.217 415 L HA -0.022 4.216 4.340 -0.170 0.000 0.211 415 L C 1.468 178.359 176.870 0.034 0.000 1.107 415 L CA 1.173 56.038 54.840 0.040 0.000 0.783 415 L CB -0.376 41.707 42.059 0.040 0.000 0.919 415 L HN 0.731 nan 8.230 nan 0.000 0.442 416 D N -2.596 117.822 120.400 0.029 0.000 2.339 416 D HA -0.067 4.471 4.640 -0.170 0.000 0.217 416 D C 0.508 176.821 176.300 0.023 0.000 1.050 416 D CA -0.179 53.836 54.000 0.024 0.000 0.856 416 D CB -0.262 40.550 40.800 0.020 0.000 0.922 416 D HN 0.014 nan 8.370 nan 0.000 0.518 417 D N 1.182 121.598 120.400 0.027 0.000 2.338 417 D HA 0.060 4.598 4.640 -0.170 0.000 0.255 417 D C -1.279 175.036 176.300 0.025 0.000 1.237 417 D CA -2.115 51.901 54.000 0.026 0.000 0.883 417 D CB 1.465 42.285 40.800 0.033 0.000 1.087 417 D HN -0.080 nan 8.370 nan 0.000 0.485 418 P HA -0.084 nan 4.420 nan 0.000 0.218 418 P C 0.592 177.901 177.300 0.015 0.000 1.149 418 P CA 0.908 64.017 63.100 0.016 0.000 0.817 418 P CB 0.314 32.021 31.700 0.012 0.000 0.785 419 E N -0.913 119.296 120.200 0.015 0.000 2.489 419 E HA 0.152 4.400 4.350 -0.170 0.000 0.193 419 E C 1.857 178.467 176.600 0.018 0.000 1.057 419 E CA 0.048 56.454 56.400 0.011 0.000 0.866 419 E CB -0.167 29.537 29.700 0.006 0.000 0.916 419 E HN 0.126 nan 8.360 nan 0.000 0.500 420 A N 0.984 123.822 122.820 0.031 0.000 1.908 420 A HA -0.196 4.022 4.320 -0.170 0.000 0.218 420 A C 2.064 179.673 177.584 0.041 0.000 1.181 420 A CA 1.078 53.145 52.037 0.049 0.000 0.627 420 A CB -0.494 18.543 19.000 0.061 0.000 0.818 420 A HN 0.227 nan 8.150 nan 0.000 0.445 421 L N -0.918 120.321 121.223 0.027 0.000 2.131 421 L HA -0.158 4.080 4.340 -0.170 0.000 0.210 421 L C 2.752 179.620 176.870 -0.003 0.000 1.092 421 L CA 1.601 56.451 54.840 0.016 0.000 0.759 421 L CB -0.695 41.373 42.059 0.014 0.000 0.903 421 L HN 0.350 nan 8.230 nan 0.000 0.435 422 T N -0.175 114.374 114.554 -0.008 0.000 2.737 422 T HA -0.170 4.078 4.350 -0.170 0.000 0.265 422 T C 1.849 176.517 174.700 -0.053 0.000 1.038 422 T CA 1.435 63.519 62.100 -0.027 0.000 1.144 422 T CB -0.026 68.828 68.868 -0.024 0.000 0.866 422 T HN 0.349 nan 8.240 nan 0.000 0.434 423 K N 0.939 121.311 120.400 -0.046 0.000 2.032 423 K HA 0.005 4.222 4.320 -0.170 0.000 0.209 423 K C 2.171 178.653 176.600 -0.197 0.000 1.048 423 K CA 1.271 57.495 56.287 -0.104 0.000 0.927 423 K CB -0.394 32.083 32.500 -0.038 0.000 0.712 423 K HN 0.300 nan 8.250 nan 0.000 0.441 424 I N 1.018 121.544 120.570 -0.074 0.000 2.226 424 I HA -0.264 3.804 4.170 -0.170 0.000 0.245 424 I C 2.835 178.892 176.117 -0.099 0.000 1.100 424 I CA 1.112 62.387 61.300 -0.042 0.000 1.374 424 I CB -0.239 37.800 38.000 0.064 0.000 1.057 424 I HN 0.199 nan 8.210 nan 0.000 0.413 425 R N 0.823 121.276 120.500 -0.079 0.000 2.081 425 R HA -0.188 4.050 4.340 -0.170 0.000 0.235 425 R C 2.560 178.796 176.300 -0.106 0.000 1.131 425 R CA 1.230 57.285 56.100 -0.076 0.000 0.960 425 R CB -0.236 30.032 30.300 -0.053 0.000 0.856 425 R HN 0.216 nan 8.270 nan 0.000 0.436 426 R N 1.011 121.429 120.500 -0.136 0.000 2.070 426 R HA -0.131 4.107 4.340 -0.170 0.000 0.233 426 R C 1.588 177.778 176.300 -0.183 0.000 1.137 426 R CA 1.630 57.640 56.100 -0.151 0.000 0.945 426 R CB -0.335 29.869 30.300 -0.160 0.000 0.845 426 R HN 0.197 nan 8.270 nan 0.000 0.430 427 E N 0.658 120.686 120.200 -0.287 0.000 2.209 427 E HA -0.156 4.091 4.350 -0.170 0.000 0.196 427 E C 1.963 178.481 176.600 -0.138 0.000 0.993 427 E CA 0.759 56.962 56.400 -0.329 0.000 0.819 427 E CB -0.120 29.088 29.700 -0.820 0.000 0.745 427 E HN 0.214 nan 8.360 nan 0.000 0.477 428 L N 0.635 121.795 121.223 -0.106 0.000 2.127 428 L HA -0.002 4.235 4.340 -0.170 0.000 0.203 428 L C 2.308 179.143 176.870 -0.058 0.000 1.080 428 L CA 1.328 56.139 54.840 -0.049 0.000 0.768 428 L CB -0.371 41.658 42.059 -0.049 0.000 0.924 428 L HN -0.033 nan 8.230 nan 0.000 0.444 429 K N -0.757 119.598 120.400 -0.076 0.000 2.103 429 K HA -0.051 4.166 4.320 -0.170 0.000 0.204 429 K C -0.359 176.198 176.600 -0.072 0.000 1.052 429 K CA 1.001 57.243 56.287 -0.074 0.000 0.945 429 K CB 0.269 32.721 32.500 -0.079 0.000 0.722 429 K HN 0.240 nan 8.250 nan 0.000 0.443 430 D N 0.965 121.315 120.400 -0.084 0.000 2.408 430 D HA 0.170 4.708 4.640 -0.170 0.000 0.261 430 D C -1.165 175.094 176.300 -0.068 0.000 1.190 430 D CA -0.149 53.805 54.000 -0.078 0.000 0.910 430 D CB 1.532 42.267 40.800 -0.109 0.000 1.097 430 D HN 0.213 nan 8.370 nan 0.000 0.522 431 A N 1.628 124.431 122.820 -0.029 0.000 2.498 431 A HA 0.540 4.758 4.320 -0.170 0.000 0.239 431 A C 0.795 178.360 177.584 -0.031 0.000 1.068 431 A CA 0.269 52.303 52.037 -0.005 0.000 0.766 431 A CB 0.640 19.665 19.000 0.041 0.000 1.003 431 A HN 0.541 nan 8.150 nan 0.000 0.497 432 G N -1.052 107.729 108.800 -0.031 0.000 3.140 432 G HA2 0.568 4.426 3.960 -0.170 0.000 0.271 432 G HA3 0.568 4.426 3.960 -0.170 0.000 0.271 432 G C 0.761 175.625 174.900 -0.060 0.000 1.370 432 G CA 0.106 45.148 45.100 -0.097 0.000 1.014 432 G HN 1.334 nan 8.290 nan 0.000 0.541 433 A N -0.905 121.832 122.820 -0.138 0.000 2.172 433 A HA 0.100 4.317 4.320 -0.170 0.000 0.216 433 A C 1.451 179.218 177.584 0.304 0.000 1.154 433 A CA 1.722 53.689 52.037 -0.116 0.000 0.701 433 A CB -0.129 18.736 19.000 -0.226 0.000 0.789 433 A HN 0.390 nan 8.150 nan 0.000 0.465 434 D N -1.083 119.530 120.400 0.355 0.000 2.339 434 D HA 0.028 4.566 4.640 -0.170 0.000 0.217 434 D C 1.758 178.431 176.300 0.621 0.000 1.050 434 D CA 0.108 54.483 54.000 0.626 0.000 0.856 434 D CB -0.156 40.964 40.800 0.534 0.000 0.922 434 D HN 0.525 nan 8.370 nan 0.000 0.518 435 R N 0.743 121.477 120.500 0.390 0.000 2.133 435 R HA -0.195 4.043 4.340 -0.170 0.000 0.247 435 R C 2.004 178.448 176.300 0.239 0.000 1.151 435 R CA 1.020 57.308 56.100 0.313 0.000 0.971 435 R CB -0.323 30.090 30.300 0.188 0.000 0.866 435 R HN 0.112 nan 8.270 nan 0.000 0.447 436 I N 0.169 120.772 120.570 0.056 0.000 2.264 436 I HA -0.258 3.809 4.170 -0.170 0.000 0.248 436 I C 1.516 177.590 176.117 -0.073 0.000 1.111 436 I CA 1.403 62.619 61.300 -0.141 0.000 1.382 436 I CB -0.228 37.408 38.000 -0.607 0.000 1.060 436 I HN 0.299 nan 8.210 nan 0.000 0.418 437 W N -0.656 120.750 121.300 0.177 0.000 2.453 437 W HA -0.145 4.416 4.660 -0.165 0.000 0.289 437 W C 2.512 179.042 176.519 0.018 0.000 1.215 437 W CA 0.786 58.198 57.345 0.111 0.000 1.297 437 W CB -1.265 28.156 29.460 -0.066 0.000 1.113 437 W HN 0.201 nan 8.180 nan 0.000 0.551 438 Y N 0.531 120.998 120.300 0.278 0.000 2.333 438 Y HA -0.180 4.265 4.550 -0.175 0.000 0.290 438 Y C 2.439 178.353 175.900 0.024 0.000 1.144 438 Y CA 1.100 59.281 58.100 0.134 0.000 1.228 438 Y CB -0.678 37.840 38.460 0.097 0.000 0.985 438 Y HN -0.185 nan 8.280 nan 0.000 0.542 439 I N -0.734 119.914 120.570 0.130 0.000 2.252 439 I HA -0.316 3.751 4.170 -0.170 0.000 0.245 439 I C 2.539 178.503 176.117 -0.256 0.000 1.102 439 I CA 1.150 62.400 61.300 -0.082 0.000 1.385 439 I CB -0.490 37.529 38.000 0.030 0.000 1.064 439 I HN 0.189 nan 8.210 nan 0.000 0.414 440 A N 0.206 122.992 122.820 -0.057 0.000 1.929 440 A HA -0.196 4.022 4.320 -0.170 0.000 0.216 440 A C 1.937 179.532 177.584 0.019 0.000 1.176 440 A CA 1.613 53.637 52.037 -0.021 0.000 0.628 440 A CB -0.469 18.488 19.000 -0.072 0.000 0.816 440 A HN 0.301 nan 8.150 nan 0.000 0.444 441 D N 0.329 120.754 120.400 0.041 0.000 2.149 441 D HA -0.099 4.438 4.640 -0.170 0.000 0.198 441 D C 2.208 178.513 176.300 0.008 0.000 0.990 441 D CA 1.438 55.472 54.000 0.058 0.000 0.839 441 D CB -0.335 40.520 40.800 0.092 0.000 0.948 441 D HN 0.421 nan 8.370 nan 0.000 0.460 442 A N 0.340 123.089 122.820 -0.118 0.000 1.883 442 A HA -0.183 4.035 4.320 -0.170 0.000 0.217 442 A C 1.990 179.459 177.584 -0.191 0.000 1.186 442 A CA 1.109 53.016 52.037 -0.217 0.000 0.624 442 A CB -0.905 17.849 19.000 -0.411 0.000 0.822 442 A HN 0.134 nan 8.150 nan 0.000 0.444 443 F N -0.028 119.944 119.950 0.037 0.000 2.146 443 F HA -0.071 4.355 4.527 -0.169 0.000 0.298 443 F C 2.490 178.305 175.800 0.025 0.000 1.096 443 F CA 1.228 59.240 58.000 0.020 0.000 1.275 443 F CB -0.730 38.265 39.000 -0.009 0.000 1.008 443 F HN 0.124 nan 8.300 nan 0.000 0.480 444 R N 0.211 120.832 120.500 0.201 0.000 2.091 444 R HA -0.128 4.109 4.340 -0.170 0.000 0.238 444 R C 2.195 178.556 176.300 0.102 0.000 1.136 444 R CA 1.419 57.599 56.100 0.134 0.000 0.959 444 R CB -0.879 29.485 30.300 0.107 0.000 0.856 444 R HN 0.258 nan 8.270 nan 0.000 0.437 445 A N -0.068 122.802 122.820 0.083 0.000 2.235 445 A HA 0.176 4.394 4.320 -0.170 0.000 0.208 445 A C 1.400 179.025 177.584 0.067 0.000 1.172 445 A CA 0.884 52.960 52.037 0.064 0.000 0.786 445 A CB -0.175 18.854 19.000 0.049 0.000 0.804 445 A HN 0.523 nan 8.150 nan 0.000 0.479 446 G N -1.625 107.232 108.800 0.096 0.000 2.157 446 G HA2 -0.194 3.664 3.960 -0.170 0.000 0.239 446 G HA3 -0.194 3.664 3.960 -0.170 0.000 0.239 446 G C 0.083 175.046 174.900 0.105 0.000 0.982 446 G CA 0.148 45.306 45.100 0.097 0.000 0.650 446 G HN 0.406 nan 8.290 nan 0.000 0.527 447 L N 1.845 123.131 121.223 0.104 0.000 2.417 447 L HA 0.515 4.753 4.340 -0.170 0.000 0.268 447 L C 1.518 178.511 176.870 0.204 0.000 1.158 447 L CA 0.134 55.031 54.840 0.095 0.000 0.819 447 L CB 1.177 43.242 42.059 0.011 0.000 1.112 447 L HN 0.463 nan 8.230 nan 0.000 0.458 448 S N 1.285 117.090 115.700 0.174 0.000 2.632 448 S HA 0.205 4.573 4.470 -0.170 0.000 0.267 448 S C 1.041 175.829 174.600 0.313 0.000 1.276 448 S CA -0.942 57.385 58.200 0.211 0.000 0.998 448 S CB 1.593 64.868 63.200 0.125 0.000 0.953 448 S HN 0.333 nan 8.310 nan 0.000 0.547 449 V N 1.301 121.390 119.914 0.292 0.000 2.332 449 V HA -0.162 3.855 4.120 -0.170 0.000 0.248 449 V C 2.157 178.406 176.094 0.259 0.000 1.055 449 V CA 2.319 64.810 62.300 0.317 0.000 1.038 449 V CB -1.023 30.872 31.823 0.120 0.000 0.651 449 V HN 0.854 nan 8.190 nan 0.000 0.450 450 D N 0.492 120.995 120.400 0.172 0.000 2.117 450 D HA -0.110 4.427 4.640 -0.170 0.000 0.197 450 D C 2.203 178.642 176.300 0.232 0.000 0.987 450 D CA 1.618 55.722 54.000 0.174 0.000 0.829 450 D CB -0.665 40.193 40.800 0.095 0.000 0.961 450 D HN 0.460 nan 8.370 nan 0.000 0.460 451 G N 0.452 109.354 108.800 0.170 0.000 2.418 451 G HA2 -0.197 3.660 3.960 -0.170 0.000 0.217 451 G HA3 -0.197 3.660 3.960 -0.170 0.000 0.217 451 G C 1.842 176.811 174.900 0.115 0.000 1.158 451 G CA 0.694 45.870 45.100 0.126 0.000 0.771 451 G HN 0.240 nan 8.290 nan 0.000 0.545 452 V N 0.371 120.366 119.914 0.136 0.000 2.407 452 V HA -0.118 3.899 4.120 -0.170 0.000 0.248 452 V C 2.297 178.457 176.094 0.110 0.000 1.055 452 V CA 1.796 64.143 62.300 0.079 0.000 1.049 452 V CB -0.567 31.294 31.823 0.064 0.000 0.662 452 V HN 0.428 nan 8.190 nan 0.000 0.455 453 F N 1.875 121.862 119.950 0.061 0.000 2.113 453 F HA -0.165 4.261 4.527 -0.169 0.000 0.297 453 F C 2.318 178.140 175.800 0.036 0.000 1.103 453 F CA 1.863 59.894 58.000 0.051 0.000 1.248 453 F CB -0.357 38.681 39.000 0.064 0.000 0.999 453 F HN 0.182 nan 8.300 nan 0.000 0.475 454 N N 0.947 119.707 118.700 0.099 0.000 2.272 454 N HA -0.168 4.470 4.740 -0.170 0.000 0.185 454 N C 1.934 177.360 175.510 -0.140 0.000 1.014 454 N CA 1.585 54.615 53.050 -0.034 0.000 0.870 454 N CB -0.462 38.086 38.487 0.101 0.000 0.975 454 N HN 0.398 nan 8.380 nan 0.000 0.433 455 L N 0.089 121.251 121.223 -0.101 0.000 2.127 455 L HA -0.037 4.200 4.340 -0.170 0.000 0.203 455 L C 2.336 179.124 176.870 -0.137 0.000 1.080 455 L CA 1.339 56.122 54.840 -0.094 0.000 0.768 455 L CB -0.387 41.638 42.059 -0.057 0.000 0.924 455 L HN 0.280 nan 8.230 nan 0.000 0.444 456 T N -5.312 109.134 114.554 -0.180 0.000 3.023 456 T HA 0.088 4.335 4.350 -0.170 0.000 0.249 456 T C 0.876 175.420 174.700 -0.261 0.000 1.050 456 T CA 0.507 62.505 62.100 -0.171 0.000 1.088 456 T CB -0.096 68.701 68.868 -0.118 0.000 0.946 456 T HN 0.324 nan 8.240 nan 0.000 0.480 457 N N 0.332 118.717 118.700 -0.525 0.000 2.782 457 N HA -0.108 4.530 4.740 -0.170 0.000 0.251 457 N C -0.898 174.429 175.510 -0.305 0.000 1.101 457 N CA 0.363 53.016 53.050 -0.663 0.000 0.764 457 N CB -1.666 36.636 38.487 -0.308 0.000 1.122 457 N HN 0.555 nan 8.380 nan 0.000 0.561 458 I N 0.913 121.355 120.570 -0.214 0.000 2.441 458 I HA 0.031 4.099 4.170 -0.170 0.000 0.287 458 I C 0.855 177.103 176.117 0.218 0.000 1.049 458 I CA -0.219 60.991 61.300 -0.149 0.000 1.381 458 I CB 0.500 38.246 38.000 -0.423 0.000 1.409 458 I HN 0.131 nan 8.210 nan 0.000 0.523 459 D N 6.323 126.918 120.400 0.325 0.000 2.586 459 D HA -0.074 4.464 4.640 -0.170 0.000 0.234 459 D C 1.247 177.788 176.300 0.401 0.000 1.132 459 D CA 0.437 54.704 54.000 0.445 0.000 0.860 459 D CB 0.796 41.847 40.800 0.419 0.000 1.159 459 D HN 0.492 nan 8.370 nan 0.000 0.490 460 R N 2.881 123.528 120.500 0.245 0.000 2.139 460 R HA -0.223 4.015 4.340 -0.170 0.000 0.243 460 R C 1.960 178.335 176.300 0.126 0.000 1.145 460 R CA 1.508 57.693 56.100 0.141 0.000 0.976 460 R CB -0.215 30.063 30.300 -0.036 0.000 0.866 460 R HN 0.663 nan 8.270 nan 0.000 0.449 461 W N 0.712 121.965 121.300 -0.078 0.000 2.325 461 W HA -0.242 4.316 4.660 -0.171 0.000 0.299 461 W C 1.370 177.759 176.519 -0.217 0.000 1.215 461 W CA 1.604 58.824 57.345 -0.209 0.000 1.244 461 W CB -0.253 28.988 29.460 -0.366 0.000 1.140 461 W HN -0.018 nan 8.180 nan 0.000 0.523 462 F N -0.440 119.667 119.950 0.262 0.000 2.187 462 F HA -0.066 4.360 4.527 -0.168 0.000 0.295 462 F C 2.284 178.146 175.800 0.103 0.000 1.091 462 F CA 1.254 59.368 58.000 0.189 0.000 1.308 462 F CB -1.223 37.977 39.000 0.333 0.000 1.030 462 F HN -0.249 nan 8.300 nan 0.000 0.487 463 L N 0.231 121.646 121.223 0.320 0.000 2.042 463 L HA -0.190 4.048 4.340 -0.170 0.000 0.210 463 L C 2.613 179.516 176.870 0.056 0.000 1.076 463 L CA 1.397 56.406 54.840 0.282 0.000 0.749 463 L CB -1.050 41.204 42.059 0.324 0.000 0.893 463 L HN 0.182 nan 8.230 nan 0.000 0.432 464 V N -2.354 117.526 119.914 -0.057 0.000 2.407 464 V HA -0.288 3.730 4.120 -0.170 0.000 0.248 464 V C 2.184 178.136 176.094 -0.237 0.000 1.055 464 V CA 1.583 63.765 62.300 -0.197 0.000 1.049 464 V CB -0.895 30.814 31.823 -0.190 0.000 0.662 464 V HN 0.523 nan 8.190 nan 0.000 0.455 465 Q N 0.243 119.917 119.800 -0.210 0.000 2.119 465 Q HA -0.025 4.213 4.340 -0.170 0.000 0.201 465 Q C 2.320 178.239 176.000 -0.135 0.000 0.972 465 Q CA 2.080 57.769 55.803 -0.190 0.000 0.847 465 Q CB -0.336 28.265 28.738 -0.229 0.000 0.903 465 Q HN 0.667 nan 8.270 nan 0.000 0.433 466 I N 0.852 121.369 120.570 -0.089 0.000 2.252 466 I HA -0.247 3.821 4.170 -0.170 0.000 0.245 466 I C 2.521 178.490 176.117 -0.247 0.000 1.102 466 I CA 1.069 62.268 61.300 -0.168 0.000 1.385 466 I CB -0.228 37.748 38.000 -0.040 0.000 1.064 466 I HN 0.272 nan 8.210 nan 0.000 0.414 467 E N 1.233 121.151 120.200 -0.468 0.000 2.058 467 E HA -0.326 3.922 4.350 -0.170 0.000 0.194 467 E C 2.120 178.517 176.600 -0.340 0.000 0.997 467 E CA 1.759 57.688 56.400 -0.786 0.000 0.801 467 E CB -0.073 28.924 29.700 -1.172 0.000 0.746 467 E HN 0.462 nan 8.360 nan 0.000 0.450 468 E N 0.333 120.388 120.200 -0.242 0.000 2.070 468 E HA -0.233 4.015 4.350 -0.170 0.000 0.197 468 E C 2.324 178.915 176.600 -0.015 0.000 1.004 468 E CA 1.417 57.748 56.400 -0.115 0.000 0.805 468 E CB -0.164 29.479 29.700 -0.095 0.000 0.744 468 E HN 0.341 nan 8.360 nan 0.000 0.451 469 L N 0.315 121.532 121.223 -0.010 0.000 2.042 469 L HA -0.214 4.024 4.340 -0.170 0.000 0.210 469 L C 2.610 179.596 176.870 0.193 0.000 1.076 469 L CA 0.896 55.819 54.840 0.137 0.000 0.749 469 L CB -0.509 41.549 42.059 -0.001 0.000 0.893 469 L HN 0.125 nan 8.230 nan 0.000 0.432 470 V N -0.289 119.651 119.914 0.043 0.000 2.332 470 V HA -0.259 3.759 4.120 -0.170 0.000 0.248 470 V C 2.747 178.894 176.094 0.088 0.000 1.055 470 V CA 1.596 63.946 62.300 0.083 0.000 1.038 470 V CB -0.620 31.255 31.823 0.087 0.000 0.651 470 V HN 0.431 nan 8.190 nan 0.000 0.450 471 R N -0.249 120.275 120.500 0.042 0.000 2.081 471 R HA -0.081 4.157 4.340 -0.170 0.000 0.235 471 R C 2.203 178.539 176.300 0.060 0.000 1.131 471 R CA 1.377 57.496 56.100 0.032 0.000 0.960 471 R CB -0.922 29.372 30.300 -0.009 0.000 0.856 471 R HN 0.437 nan 8.270 nan 0.000 0.436 472 L N 0.699 121.983 121.223 0.101 0.000 2.093 472 L HA -0.107 4.131 4.340 -0.170 0.000 0.208 472 L C 2.410 179.315 176.870 0.058 0.000 1.085 472 L CA 1.096 56.009 54.840 0.122 0.000 0.755 472 L CB -0.334 41.833 42.059 0.180 0.000 0.904 472 L HN 0.228 nan 8.230 nan 0.000 0.435 473 E N 0.061 120.309 120.200 0.080 0.000 2.085 473 E HA -0.269 3.979 4.350 -0.170 0.000 0.194 473 E C 2.027 178.653 176.600 0.043 0.000 0.994 473 E CA 1.339 57.764 56.400 0.042 0.000 0.801 473 E CB 0.028 29.831 29.700 0.172 0.000 0.743 473 E HN 0.507 nan 8.360 nan 0.000 0.453 474 E N 0.667 120.904 120.200 0.062 0.000 2.077 474 E HA -0.212 4.036 4.350 -0.170 0.000 0.193 474 E C 2.057 178.681 176.600 0.040 0.000 0.989 474 E CA 1.105 57.534 56.400 0.049 0.000 0.800 474 E CB 0.021 29.749 29.700 0.046 0.000 0.746 474 E HN 0.057 nan 8.360 nan 0.000 0.452 475 K N 0.632 121.061 120.400 0.048 0.000 2.009 475 K HA -0.187 4.031 4.320 -0.170 0.000 0.210 475 K C 2.036 178.688 176.600 0.086 0.000 1.049 475 K CA 1.618 57.929 56.287 0.039 0.000 0.929 475 K CB -0.148 32.380 32.500 0.047 0.000 0.714 475 K HN -0.039 nan 8.250 nan 0.000 0.440 476 V N 1.546 121.545 119.914 0.142 0.000 2.250 476 V HA -0.340 3.678 4.120 -0.170 0.000 0.250 476 V C 2.535 178.664 176.094 0.059 0.000 1.060 476 V CA 2.246 64.615 62.300 0.115 0.000 1.030 476 V CB -1.108 30.690 31.823 -0.043 0.000 0.643 476 V HN 0.583 nan 8.190 nan 0.000 0.445 477 A N -0.850 121.991 122.820 0.035 0.000 1.940 477 A HA -0.295 3.923 4.320 -0.170 0.000 0.219 477 A C 2.303 179.903 177.584 0.027 0.000 1.176 477 A CA 2.201 54.255 52.037 0.028 0.000 0.631 477 A CB -0.481 18.538 19.000 0.032 0.000 0.814 477 A HN 0.696 nan 8.150 nan 0.000 0.446 478 E N -0.117 120.099 120.200 0.027 0.000 2.016 478 E HA -0.124 4.123 4.350 -0.170 0.000 0.190 478 E C 2.089 178.698 176.600 0.015 0.000 0.985 478 E CA 1.701 58.111 56.400 0.016 0.000 0.802 478 E CB -0.201 29.501 29.700 0.004 0.000 0.762 478 E HN 0.516 nan 8.360 nan 0.000 0.448 479 V N -1.060 118.867 119.914 0.022 0.000 2.515 479 V HA 0.095 4.113 4.120 -0.170 0.000 0.250 479 V C 1.171 177.289 176.094 0.040 0.000 1.058 479 V CA 1.281 63.596 62.300 0.025 0.000 1.064 479 V CB -1.250 30.590 31.823 0.029 0.000 0.675 479 V HN 0.506 nan 8.190 nan 0.000 0.461 480 G N -0.083 108.745 108.800 0.047 0.000 2.796 480 G HA2 -0.313 3.545 3.960 -0.170 0.000 0.226 480 G HA3 -0.313 3.545 3.960 -0.170 0.000 0.226 480 G C 0.196 175.125 174.900 0.047 0.000 1.381 480 G CA 0.167 45.289 45.100 0.037 0.000 0.867 480 G HN 1.090 nan 8.290 nan 0.000 0.552 481 I N -0.215 120.374 120.570 0.031 0.000 2.530 481 I HA -0.084 3.984 4.170 -0.170 0.000 0.257 481 I C 2.626 178.775 176.117 0.053 0.000 1.179 481 I CA 2.829 64.149 61.300 0.032 0.000 1.440 481 I CB -0.099 37.909 38.000 0.013 0.000 1.087 481 I HN 0.670 nan 8.210 nan 0.000 0.440 482 T N 0.064 114.648 114.554 0.049 0.000 2.777 482 T HA -0.070 4.178 4.350 -0.170 0.000 0.266 482 T C 1.633 176.379 174.700 0.075 0.000 1.040 482 T CA 1.371 63.504 62.100 0.054 0.000 1.141 482 T CB -0.565 68.324 68.868 0.035 0.000 0.868 482 T HN 0.611 nan 8.240 nan 0.000 0.444 483 G N 1.059 109.908 108.800 0.082 0.000 2.559 483 G HA2 0.018 3.875 3.960 -0.170 0.000 0.216 483 G HA3 0.018 3.875 3.960 -0.170 0.000 0.216 483 G C 0.634 175.667 174.900 0.221 0.000 1.126 483 G CA 0.078 45.242 45.100 0.107 0.000 0.778 483 G HN 0.484 nan 8.290 nan 0.000 0.543 484 L N 2.557 123.899 121.223 0.199 0.000 2.416 484 L HA 0.171 4.409 4.340 -0.170 0.000 0.243 484 L C 0.405 177.404 176.870 0.216 0.000 1.373 484 L CA -0.760 54.206 54.840 0.210 0.000 1.227 484 L CB -1.149 40.962 42.059 0.088 0.000 1.428 484 L HN 0.272 nan 8.230 nan 0.000 0.425 485 N N 0.212 119.011 118.700 0.165 0.000 2.288 485 N HA 0.185 4.823 4.740 -0.170 0.000 0.237 485 N C 1.222 176.575 175.510 -0.261 0.000 1.311 485 N CA 0.194 53.243 53.050 -0.003 0.000 0.909 485 N CB 0.806 39.279 38.487 -0.022 0.000 1.167 485 N HN 0.225 nan 8.380 nan 0.000 0.476 486 A N -0.248 122.107 122.820 -0.775 0.000 1.969 486 A HA -0.166 4.051 4.320 -0.170 0.000 0.218 486 A C 1.416 178.806 177.584 -0.324 0.000 1.169 486 A CA 1.478 52.954 52.037 -0.935 0.000 0.635 486 A CB -0.706 17.574 19.000 -1.199 0.000 0.810 486 A HN 0.772 nan 8.150 nan 0.000 0.445 487 D N -1.246 119.044 120.400 -0.182 0.000 2.117 487 D HA -0.099 4.438 4.640 -0.170 0.000 0.198 487 D C 1.519 177.851 176.300 0.054 0.000 0.982 487 D CA 1.153 55.122 54.000 -0.052 0.000 0.828 487 D CB -0.294 40.490 40.800 -0.027 0.000 0.967 487 D HN 0.445 nan 8.370 nan 0.000 0.464 488 F N 0.827 120.708 119.950 -0.115 0.000 2.219 488 F HA 0.029 4.454 4.527 -0.170 0.000 0.294 488 F C 1.905 177.651 175.800 -0.090 0.000 1.086 488 F CA 0.323 58.270 58.000 -0.088 0.000 1.330 488 F CB -0.664 38.288 39.000 -0.080 0.000 1.047 488 F HN -0.111 nan 8.300 nan 0.000 0.495 489 L N 1.261 122.362 121.223 -0.205 0.000 2.079 489 L HA -0.170 4.068 4.340 -0.170 0.000 0.210 489 L C 2.588 179.312 176.870 -0.243 0.000 1.081 489 L CA 1.986 56.653 54.840 -0.289 0.000 0.752 489 L CB -0.972 41.052 42.059 -0.057 0.000 0.896 489 L HN 0.238 nan 8.230 nan 0.000 0.433 490 R N -1.047 119.362 120.500 -0.151 0.000 2.115 490 R HA -0.193 4.045 4.340 -0.170 0.000 0.230 490 R C 2.346 178.576 176.300 -0.115 0.000 1.111 490 R CA 1.501 57.525 56.100 -0.128 0.000 0.976 490 R CB -0.252 30.021 30.300 -0.046 0.000 0.870 490 R HN 0.662 nan 8.270 nan 0.000 0.445 491 Q N 0.643 120.401 119.800 -0.070 0.000 2.050 491 Q HA -0.174 4.064 4.340 -0.170 0.000 0.202 491 Q C 2.086 178.060 176.000 -0.043 0.000 0.980 491 Q CA 1.703 57.503 55.803 -0.005 0.000 0.840 491 Q CB -0.114 28.691 28.738 0.112 0.000 0.898 491 Q HN 0.437 nan 8.270 nan 0.000 0.424 492 L N 0.630 121.741 121.223 -0.187 0.000 2.042 492 L HA -0.217 4.021 4.340 -0.170 0.000 0.210 492 L C 2.608 179.492 176.870 0.023 0.000 1.076 492 L CA 1.074 55.841 54.840 -0.121 0.000 0.749 492 L CB -0.539 41.218 42.059 -0.503 0.000 0.893 492 L HN 0.101 nan 8.230 nan 0.000 0.432 493 K N 0.584 120.843 120.400 -0.235 0.000 2.057 493 K HA -0.121 4.097 4.320 -0.170 0.000 0.207 493 K C 2.161 178.574 176.600 -0.312 0.000 1.049 493 K CA 1.302 57.300 56.287 -0.481 0.000 0.931 493 K CB -0.412 31.329 32.500 -1.264 0.000 0.714 493 K HN 0.281 nan 8.250 nan 0.000 0.440 494 R N 0.957 121.359 120.500 -0.163 0.000 2.200 494 R HA -0.048 4.190 4.340 -0.170 0.000 0.234 494 R C 1.574 177.910 176.300 0.059 0.000 1.127 494 R CA 0.864 56.984 56.100 0.033 0.000 0.989 494 R CB 0.052 30.394 30.300 0.071 0.000 0.869 494 R HN -0.006 nan 8.270 nan 0.000 0.459 495 K N -0.697 119.742 120.400 0.064 0.000 2.444 495 K HA 0.133 4.350 4.320 -0.170 0.000 0.193 495 K C 0.969 177.527 176.600 -0.070 0.000 1.024 495 K CA 0.776 57.090 56.287 0.045 0.000 1.077 495 K CB 0.882 33.468 32.500 0.142 0.000 0.833 495 K HN 0.388 nan 8.250 nan 0.000 0.517 496 G N 1.187 109.973 108.800 -0.023 0.000 2.175 496 G HA2 -0.253 3.605 3.960 -0.170 0.000 0.244 496 G HA3 -0.253 3.605 3.960 -0.170 0.000 0.244 496 G C -0.017 174.827 174.900 -0.093 0.000 0.982 496 G CA -0.462 44.608 45.100 -0.051 0.000 0.641 496 G HN 0.201 nan 8.290 nan 0.000 0.527 497 F N 1.775 121.707 119.950 -0.031 0.000 2.572 497 F HA 0.504 4.929 4.527 -0.171 0.000 0.370 497 F C 1.126 176.902 175.800 -0.039 0.000 1.103 497 F CA 0.594 58.575 58.000 -0.032 0.000 1.286 497 F CB 0.855 39.812 39.000 -0.071 0.000 1.105 497 F HN 0.349 nan 8.300 nan 0.000 0.583 498 A N 2.973 125.917 122.820 0.205 0.000 2.304 498 A HA 0.278 4.495 4.320 -0.170 0.000 0.301 498 A C 0.992 178.638 177.584 0.104 0.000 1.132 498 A CA -0.734 51.376 52.037 0.122 0.000 0.819 498 A CB 0.392 19.448 19.000 0.093 0.000 1.094 498 A HN 0.766 nan 8.150 nan 0.000 0.492 499 D N 1.705 122.142 120.400 0.062 0.000 2.106 499 D HA -0.199 4.339 4.640 -0.170 0.000 0.191 499 D C 2.213 178.532 176.300 0.033 0.000 0.997 499 D CA 2.273 56.292 54.000 0.031 0.000 0.834 499 D CB -0.418 40.400 40.800 0.029 0.000 0.956 499 D HN 0.668 nan 8.370 nan 0.000 0.448 500 A N 0.507 123.353 122.820 0.043 0.000 1.948 500 A HA -0.239 3.979 4.320 -0.170 0.000 0.220 500 A C 2.195 179.810 177.584 0.053 0.000 1.177 500 A CA 2.102 54.163 52.037 0.039 0.000 0.636 500 A CB -0.436 18.586 19.000 0.037 0.000 0.815 500 A HN 0.104 nan 8.150 nan 0.000 0.449 501 R N -0.199 120.353 120.500 0.087 0.000 2.057 501 R HA 0.091 4.328 4.340 -0.170 0.000 0.229 501 R C 1.970 178.324 176.300 0.090 0.000 1.136 501 R CA 1.431 57.609 56.100 0.130 0.000 0.952 501 R CB -0.696 29.745 30.300 0.236 0.000 0.848 501 R HN 0.485 nan 8.270 nan 0.000 0.430 502 L N 0.077 121.328 121.223 0.047 0.000 2.079 502 L HA -0.131 4.107 4.340 -0.170 0.000 0.210 502 L C 2.449 179.300 176.870 -0.032 0.000 1.081 502 L CA 1.366 56.172 54.840 -0.056 0.000 0.752 502 L CB -0.633 41.356 42.059 -0.116 0.000 0.896 502 L HN 0.347 nan 8.230 nan 0.000 0.433 503 A N -0.023 122.794 122.820 -0.006 0.000 1.930 503 A HA -0.197 4.021 4.320 -0.170 0.000 0.217 503 A C 2.334 179.921 177.584 0.006 0.000 1.175 503 A CA 1.476 53.511 52.037 -0.003 0.000 0.627 503 A CB -0.283 18.718 19.000 0.001 0.000 0.815 503 A HN 0.295 nan 8.150 nan 0.000 0.443 504 K N -0.456 119.956 120.400 0.019 0.000 2.148 504 K HA 0.007 4.224 4.320 -0.170 0.000 0.204 504 K C 1.747 178.360 176.600 0.022 0.000 1.050 504 K CA 1.148 57.449 56.287 0.023 0.000 0.942 504 K CB -0.312 32.210 32.500 0.037 0.000 0.724 504 K HN 0.473 nan 8.250 nan 0.000 0.446 505 L N -0.070 121.165 121.223 0.020 0.000 2.141 505 L HA -0.120 4.118 4.340 -0.170 0.000 0.209 505 L C 2.210 179.084 176.870 0.007 0.000 1.094 505 L CA 0.994 55.843 54.840 0.015 0.000 0.763 505 L CB -0.241 41.814 42.059 -0.006 0.000 0.908 505 L HN 0.153 nan 8.230 nan 0.000 0.437 506 A N -0.795 122.025 122.820 -0.001 0.000 2.267 506 A HA 0.362 4.580 4.320 -0.170 0.000 0.213 506 A C 1.592 179.180 177.584 0.006 0.000 1.192 506 A CA 0.559 52.597 52.037 0.002 0.000 0.851 506 A CB -0.113 18.883 19.000 -0.006 0.000 0.881 506 A HN 0.438 nan 8.150 nan 0.000 0.494 507 G N -0.414 108.390 108.800 0.006 0.000 2.225 507 G HA2 -0.051 3.807 3.960 -0.170 0.000 0.264 507 G HA3 -0.051 3.807 3.960 -0.170 0.000 0.264 507 G C 0.219 175.121 174.900 0.003 0.000 1.060 507 G CA 0.730 45.834 45.100 0.006 0.000 0.833 507 G HN 1.802 nan 8.290 nan 0.000 0.498 508 V N -4.194 115.720 119.914 0.000 0.000 3.074 508 V HA 0.872 4.890 4.120 -0.170 0.000 0.314 508 V C 0.625 176.717 176.094 -0.003 0.000 1.117 508 V CA -1.917 60.381 62.300 -0.003 0.000 1.014 508 V CB 1.505 33.324 31.823 -0.007 0.000 1.057 508 V HN 0.361 nan 8.190 nan 0.000 0.438 509 R N 0.603 121.101 120.500 -0.004 0.000 2.641 509 R HA 0.193 4.431 4.340 -0.170 0.000 0.269 509 R C 1.460 177.757 176.300 -0.004 0.000 1.074 509 R CA 0.466 56.564 56.100 -0.003 0.000 1.133 509 R CB 0.571 30.869 30.300 -0.004 0.000 1.029 509 R HN 1.005 nan 8.270 nan 0.000 0.488 510 E N 2.214 122.414 120.200 0.000 0.000 2.097 510 E HA -0.284 3.963 4.350 -0.170 0.000 0.196 510 E C 1.592 178.191 176.600 -0.001 0.000 1.000 510 E CA 1.707 58.109 56.400 0.003 0.000 0.804 510 E CB -0.009 29.697 29.700 0.009 0.000 0.740 510 E HN 0.739 nan 8.360 nan 0.000 0.454 511 A N 0.924 123.743 122.820 -0.002 0.000 1.986 511 A HA -0.265 3.952 4.320 -0.170 0.000 0.220 511 A C 1.919 179.494 177.584 -0.015 0.000 1.171 511 A CA 1.845 53.880 52.037 -0.004 0.000 0.640 511 A CB -0.572 18.426 19.000 -0.004 0.000 0.811 511 A HN 0.410 nan 8.150 nan 0.000 0.451 512 E N -0.487 119.702 120.200 -0.019 0.000 2.077 512 E HA -0.153 4.094 4.350 -0.170 0.000 0.193 512 E C 1.832 178.405 176.600 -0.045 0.000 0.989 512 E CA 1.149 57.531 56.400 -0.030 0.000 0.800 512 E CB -0.168 29.517 29.700 -0.025 0.000 0.746 512 E HN 0.580 nan 8.360 nan 0.000 0.452 513 I N 0.652 121.201 120.570 -0.035 0.000 2.315 513 I HA -0.208 3.860 4.170 -0.170 0.000 0.248 513 I C 2.473 178.561 176.117 -0.048 0.000 1.117 513 I CA 1.168 62.442 61.300 -0.044 0.000 1.404 513 I CB -0.795 37.185 38.000 -0.033 0.000 1.071 513 I HN 0.092 nan 8.210 nan 0.000 0.419 514 R N 1.350 121.834 120.500 -0.027 0.000 2.092 514 R HA -0.159 4.079 4.340 -0.170 0.000 0.231 514 R C 2.269 178.548 176.300 -0.035 0.000 1.119 514 R CA 1.336 57.427 56.100 -0.015 0.000 0.970 514 R CB 0.053 30.360 30.300 0.011 0.000 0.864 514 R HN 0.219 nan 8.270 nan 0.000 0.440 515 K N 0.116 120.487 120.400 -0.047 0.000 2.057 515 K HA -0.137 4.080 4.320 -0.170 0.000 0.206 515 K C 1.954 178.475 176.600 -0.132 0.000 1.050 515 K CA 1.085 57.335 56.287 -0.062 0.000 0.935 515 K CB -0.216 32.249 32.500 -0.057 0.000 0.715 515 K HN 0.062 nan 8.250 nan 0.000 0.439 516 L N 1.735 122.854 121.223 -0.174 0.000 2.043 516 L HA -0.208 4.030 4.340 -0.170 0.000 0.212 516 L C 1.961 178.589 176.870 -0.403 0.000 1.075 516 L CA 1.739 56.379 54.840 -0.334 0.000 0.752 516 L CB -0.328 41.589 42.059 -0.237 0.000 0.891 516 L HN 0.079 nan 8.230 nan 0.000 0.432 517 R N -0.730 119.652 120.500 -0.196 0.000 2.115 517 R HA -0.143 4.095 4.340 -0.170 0.000 0.226 517 R C 1.947 178.128 176.300 -0.198 0.000 1.100 517 R CA 1.122 57.134 56.100 -0.146 0.000 0.980 517 R CB -0.415 29.809 30.300 -0.127 0.000 0.875 517 R HN 0.527 nan 8.270 nan 0.000 0.445 518 D N 0.686 121.008 120.400 -0.131 0.000 2.117 518 D HA -0.216 4.322 4.640 -0.170 0.000 0.197 518 D C 1.761 178.063 176.300 0.003 0.000 0.987 518 D CA 1.429 55.432 54.000 0.005 0.000 0.829 518 D CB 0.000 40.833 40.800 0.054 0.000 0.961 518 D HN 0.159 nan 8.370 nan 0.000 0.460 519 Q N -1.250 118.481 119.800 -0.115 0.000 1.975 519 Q HA -0.193 4.045 4.340 -0.170 0.000 0.205 519 Q C 1.789 177.786 176.000 -0.005 0.000 0.990 519 Q CA 1.372 57.093 55.803 -0.137 0.000 0.845 519 Q CB -0.259 28.264 28.738 -0.358 0.000 0.913 519 Q HN 0.412 nan 8.270 nan 0.000 0.420 520 Y N 0.784 121.081 120.300 -0.006 0.000 2.632 520 Y HA -0.051 4.396 4.550 -0.171 0.000 0.301 520 Y C 0.345 176.250 175.900 0.008 0.000 1.172 520 Y CA 0.837 58.935 58.100 -0.002 0.000 1.328 520 Y CB -0.532 37.915 38.460 -0.020 0.000 1.016 520 Y HN 0.314 nan 8.280 nan 0.000 0.529 521 D N -0.270 120.220 120.400 0.150 0.000 2.699 521 D HA -0.210 4.328 4.640 -0.170 0.000 0.239 521 D C -0.786 175.580 176.300 0.110 0.000 1.136 521 D CA 0.236 54.334 54.000 0.163 0.000 0.668 521 D CB -1.255 39.654 40.800 0.182 0.000 1.060 521 D HN 0.207 nan 8.370 nan 0.000 0.429 522 L N 2.821 124.004 121.223 -0.068 0.000 2.314 522 L HA 0.430 4.668 4.340 -0.170 0.000 0.275 522 L C -0.834 175.918 176.870 -0.197 0.000 1.068 522 L CA -0.328 54.507 54.840 -0.010 0.000 0.894 522 L CB 0.559 42.672 42.059 0.090 0.000 1.275 522 L HN 0.147 nan 8.230 nan 0.000 0.432 523 H N 4.220 123.409 119.070 0.197 0.000 2.747 523 H HA 0.579 5.032 4.556 -0.171 0.000 0.371 523 H C -2.509 172.613 175.328 -0.344 0.000 1.161 523 H CA -1.738 54.338 56.048 0.046 0.000 1.167 523 H CB 1.795 31.567 29.762 0.016 0.000 1.732 523 H HN 0.369 nan 8.280 nan 0.000 0.544 524 P HA 0.076 nan 4.420 nan 0.000 0.274 524 P C -0.222 176.720 177.300 -0.597 0.000 1.256 524 P CA -0.390 62.044 63.100 -1.112 0.000 0.795 524 P CB 0.975 32.100 31.700 -0.959 0.000 1.038 525 V N -2.143 117.415 119.914 -0.595 0.000 3.019 525 V HA 0.567 4.585 4.120 -0.170 0.000 0.317 525 V C -1.064 174.677 176.094 -0.588 0.000 1.094 525 V CA -1.000 61.077 62.300 -0.372 0.000 1.000 525 V CB 1.258 32.976 31.823 -0.176 0.000 1.060 525 V HN 0.327 nan 8.190 nan 0.000 0.443 526 Y N 1.545 121.780 120.300 -0.108 0.000 2.328 526 Y HA 0.700 5.147 4.550 -0.171 0.000 0.337 526 Y C 0.430 176.172 175.900 -0.264 0.000 0.966 526 Y CA -0.717 57.290 58.100 -0.155 0.000 1.136 526 Y CB 1.716 40.175 38.460 -0.003 0.000 1.170 526 Y HN 0.527 nan 8.280 nan 0.000 0.470 527 K N 2.977 123.105 120.400 -0.452 0.000 2.245 527 K HA 0.614 4.831 4.320 -0.170 0.000 0.234 527 K C -0.423 175.898 176.600 -0.464 0.000 1.021 527 K CA -1.004 55.007 56.287 -0.461 0.000 0.898 527 K CB 1.720 33.897 32.500 -0.539 0.000 1.163 527 K HN 0.691 nan 8.250 nan 0.000 0.459 528 R N -0.023 120.360 120.500 -0.195 0.000 2.778 528 R HA 0.475 4.712 4.340 -0.170 0.000 0.277 528 R C -0.547 175.782 176.300 0.048 0.000 0.977 528 R CA -0.986 55.067 56.100 -0.077 0.000 0.950 528 R CB 1.628 31.911 30.300 -0.028 0.000 1.165 528 R HN 0.186 nan 8.270 nan 0.000 0.474 529 V N 2.256 122.142 119.914 -0.047 0.000 2.498 529 V HA 0.095 4.112 4.120 -0.170 0.000 0.279 529 V C 0.050 176.174 176.094 0.050 0.000 1.048 529 V CA 0.219 62.485 62.300 -0.056 0.000 0.967 529 V CB 1.315 32.749 31.823 -0.647 0.000 0.988 529 V HN 0.992 nan 8.190 nan 0.000 0.473 530 D N 0.749 121.233 120.400 0.140 0.000 2.480 530 D HA 0.030 4.567 4.640 -0.170 0.000 0.276 530 D C 0.935 177.345 176.300 0.182 0.000 1.294 530 D CA 0.752 54.828 54.000 0.125 0.000 0.829 530 D CB -0.026 40.847 40.800 0.122 0.000 1.242 530 D HN 0.770 nan 8.370 nan 0.000 0.513 531 T N -1.896 112.797 114.554 0.231 0.000 8.985 531 T HA -0.374 3.873 4.350 -0.170 0.000 0.339 531 T C 1.116 176.022 174.700 0.343 0.000 1.929 531 T CA 1.581 63.872 62.100 0.319 0.000 2.929 531 T CB -2.912 66.255 68.868 0.498 0.000 2.454 531 T HN 0.933 nan 8.240 nan 0.000 1.140 532 C N 0.573 120.033 119.300 0.266 0.000 3.098 532 C HA 0.893 5.251 4.460 -0.170 0.000 0.265 532 C C 1.684 176.761 174.990 0.146 0.000 1.572 532 C CA -0.389 58.790 59.018 0.269 0.000 1.788 532 C CB -0.548 27.421 27.740 0.381 0.000 2.982 532 C HN 2.199 nan 8.230 nan 0.000 0.532 533 A N 0.169 123.044 122.820 0.090 0.000 2.783 533 A HA 0.236 4.454 4.320 -0.170 0.000 0.292 533 A C 1.549 179.149 177.584 0.027 0.000 1.495 533 A CA 1.534 53.593 52.037 0.037 0.000 0.787 533 A CB -1.877 17.120 19.000 -0.005 0.000 1.017 533 A HN 2.828 nan 8.150 nan 0.000 0.516 534 A N -2.239 120.609 122.820 0.047 0.000 2.952 534 A HA -0.295 3.922 4.320 -0.170 0.000 0.252 534 A C 1.108 178.636 177.584 -0.094 0.000 1.323 534 A CA 2.174 54.213 52.037 0.005 0.000 0.957 534 A CB -2.229 16.776 19.000 0.009 0.000 1.130 534 A HN 1.736 nan 8.150 nan 0.000 0.799 535 E N -1.618 118.478 120.200 -0.173 0.000 2.285 535 E HA 0.158 4.405 4.350 -0.170 0.000 0.194 535 E C -0.086 175.965 176.600 -0.915 0.000 0.997 535 E CA 0.682 56.778 56.400 -0.507 0.000 0.845 535 E CB 0.066 29.415 29.700 -0.585 0.000 0.782 535 E HN 0.741 nan 8.360 nan 0.000 0.491 536 F N -0.275 119.662 119.950 -0.022 0.000 2.551 536 F HA 0.522 4.947 4.527 -0.171 0.000 0.316 536 F C 0.162 175.948 175.800 -0.025 0.000 1.089 536 F CA -1.179 56.799 58.000 -0.036 0.000 0.915 536 F CB 1.356 40.314 39.000 -0.071 0.000 1.186 536 F HN -0.197 nan 8.300 nan 0.000 0.456 537 A N 1.093 124.006 122.820 0.156 0.000 2.386 537 A HA 0.582 4.799 4.320 -0.170 0.000 0.248 537 A C -0.022 177.605 177.584 0.072 0.000 1.082 537 A CA -0.012 52.074 52.037 0.081 0.000 0.789 537 A CB 0.542 19.575 19.000 0.055 0.000 1.025 537 A HN 0.746 nan 8.150 nan 0.000 0.490 538 T N -0.598 113.980 114.554 0.039 0.000 2.900 538 T HA 0.472 4.720 4.350 -0.170 0.000 0.295 538 T C -0.625 174.077 174.700 0.005 0.000 1.044 538 T CA -0.577 61.534 62.100 0.017 0.000 0.995 538 T CB 1.144 70.022 68.868 0.017 0.000 1.072 538 T HN 0.530 nan 8.240 nan 0.000 0.473 539 D N 2.017 122.412 120.400 -0.007 0.000 2.398 539 D HA 0.197 4.734 4.640 -0.170 0.000 0.210 539 D C 0.210 176.505 176.300 -0.008 0.000 1.094 539 D CA 0.197 54.194 54.000 -0.006 0.000 0.839 539 D CB 0.770 41.566 40.800 -0.005 0.000 0.963 539 D HN 0.422 nan 8.370 nan 0.000 0.506 540 T N 0.556 115.098 114.554 -0.019 0.000 2.875 540 T HA 0.527 4.775 4.350 -0.170 0.000 0.284 540 T C 0.258 174.963 174.700 0.008 0.000 0.995 540 T CA -0.486 61.604 62.100 -0.017 0.000 1.060 540 T CB 1.943 70.756 68.868 -0.092 0.000 0.967 540 T HN -0.056 nan 8.240 nan 0.000 0.476 541 A N 3.427 126.258 122.820 0.018 0.000 3.079 541 A HA 0.370 4.588 4.320 -0.170 0.000 0.315 541 A C -0.746 176.857 177.584 0.031 0.000 1.334 541 A CA -0.405 51.622 52.037 -0.017 0.000 1.048 541 A CB -0.389 18.565 19.000 -0.077 0.000 1.156 541 A HN 0.713 nan 8.150 nan 0.000 0.523 542 Y N 2.977 123.240 120.300 -0.062 0.000 2.593 542 Y HA 0.667 5.114 4.550 -0.171 0.000 0.331 542 Y C -0.454 175.447 175.900 0.003 0.000 0.986 542 Y CA -1.811 56.294 58.100 0.008 0.000 1.262 542 Y CB 0.297 38.804 38.460 0.078 0.000 1.098 542 Y HN 0.578 nan 8.280 nan 0.000 0.506 543 M N 6.064 125.765 119.600 0.169 0.000 2.761 543 M HA 0.587 4.965 4.480 -0.170 0.000 0.305 543 M C -1.501 174.967 176.300 0.281 0.000 1.235 543 M CA -1.176 54.153 55.300 0.049 0.000 0.850 543 M CB 2.689 35.226 32.600 -0.105 0.000 1.744 543 M HN 0.428 nan 8.290 nan 0.000 0.480 544 Y N -1.759 118.666 120.300 0.207 0.000 2.562 544 Y HA 0.791 5.239 4.550 -0.171 0.000 0.345 544 Y C -0.759 175.248 175.900 0.178 0.000 1.045 544 Y CA -1.448 56.785 58.100 0.223 0.000 1.028 544 Y CB 0.886 39.348 38.460 0.004 0.000 1.297 544 Y HN 0.740 nan 8.280 nan 0.000 0.463 545 S N 1.449 117.286 115.700 0.227 0.000 2.554 545 S HA 0.759 5.127 4.470 -0.170 0.000 0.278 545 S C -0.439 174.142 174.600 -0.032 0.000 1.242 545 S CA -0.054 58.017 58.200 -0.216 0.000 1.051 545 S CB 1.556 64.589 63.200 -0.279 0.000 0.986 545 S HN 1.077 nan 8.310 nan 0.000 0.502 546 T N 1.552 115.978 114.554 -0.213 0.000 2.889 546 T HA 0.440 4.687 4.350 -0.170 0.000 0.315 546 T C -1.977 172.606 174.700 -0.194 0.000 1.291 546 T CA -0.558 61.526 62.100 -0.026 0.000 1.028 546 T CB 0.809 69.753 68.868 0.128 0.000 1.235 546 T HN 0.602 nan 8.240 nan 0.000 0.491 547 Y N 2.460 122.755 120.300 -0.007 0.000 2.821 547 Y HA 0.480 4.927 4.550 -0.171 0.000 0.331 547 Y C 0.814 176.720 175.900 0.010 0.000 1.251 547 Y CA -0.284 57.813 58.100 -0.005 0.000 1.494 547 Y CB 0.520 38.986 38.460 0.010 0.000 1.493 547 Y HN 0.641 nan 8.280 nan 0.000 0.496 548 E N -0.113 120.106 120.200 0.032 0.000 2.604 548 E HA 0.303 4.551 4.350 -0.170 0.000 0.201 548 E C 0.600 177.215 176.600 0.025 0.000 0.728 548 E CA -0.346 56.079 56.400 0.043 0.000 1.030 548 E CB 0.956 30.679 29.700 0.039 0.000 1.759 548 E HN 0.219 nan 8.360 nan 0.000 0.377 549 E N 0.374 120.586 120.200 0.020 0.000 2.121 549 E HA 0.055 4.303 4.350 -0.170 0.000 0.194 549 E C -0.237 176.368 176.600 0.009 0.000 0.940 549 E CA 0.320 56.731 56.400 0.020 0.000 0.884 549 E CB 0.045 29.760 29.700 0.024 0.000 0.874 549 E HN 0.374 nan 8.360 nan 0.000 0.471 550 E N 0.844 121.047 120.200 0.005 0.000 2.259 550 E HA 0.113 4.361 4.350 -0.170 0.000 0.281 550 E C -0.997 175.598 176.600 -0.008 0.000 1.037 550 E CA -0.189 56.212 56.400 0.002 0.000 0.854 550 E CB 0.891 30.594 29.700 0.005 0.000 1.051 550 E HN 0.030 nan 8.360 nan 0.000 0.409 551 C N 4.737 124.040 119.300 0.005 0.000 2.388 551 C HA 0.266 4.624 4.460 -0.170 0.000 0.362 551 C C 0.733 175.738 174.990 0.025 0.000 1.266 551 C CA -0.230 58.801 59.018 0.021 0.000 2.028 551 C CB 0.025 27.795 27.740 0.050 0.000 2.440 551 C HN 0.945 nan 8.230 nan 0.000 0.547 552 E N 2.395 122.614 120.200 0.032 0.000 2.562 552 E HA 0.122 4.370 4.350 -0.170 0.000 0.214 552 E C 1.608 178.223 176.600 0.027 0.000 0.979 552 E CA 0.253 56.662 56.400 0.015 0.000 1.002 552 E CB 0.512 30.201 29.700 -0.018 0.000 1.048 552 E HN 0.845 nan 8.360 nan 0.000 0.488 553 A N 1.967 124.831 122.820 0.075 0.000 1.883 553 A HA -0.215 4.003 4.320 -0.170 0.000 0.217 553 A C 0.815 178.405 177.584 0.011 0.000 1.186 553 A CA 0.974 53.039 52.037 0.046 0.000 0.624 553 A CB -0.401 18.649 19.000 0.083 0.000 0.822 553 A HN 0.325 nan 8.150 nan 0.000 0.444 554 N N -0.561 118.153 118.700 0.022 0.000 2.678 554 N HA -0.112 4.525 4.740 -0.170 0.000 0.268 554 N C -2.501 173.014 175.510 0.009 0.000 1.010 554 N CA 1.199 54.257 53.050 0.013 0.000 0.784 554 N CB -1.730 36.761 38.487 0.007 0.000 0.905 554 N HN 0.436 nan 8.380 nan 0.000 0.552 555 P HA 0.080 nan 4.420 nan 0.000 0.269 555 P C 0.235 177.541 177.300 0.011 0.000 1.217 555 P CA -0.159 62.950 63.100 0.015 0.000 0.783 555 P CB 0.496 32.207 31.700 0.017 0.000 0.898 556 S N -0.902 114.806 115.700 0.013 0.000 2.616 556 S HA 0.411 4.779 4.470 -0.170 0.000 0.277 556 S C 0.805 175.412 174.600 0.011 0.000 1.234 556 S CA -0.026 58.181 58.200 0.011 0.000 1.028 556 S CB 0.602 63.810 63.200 0.013 0.000 0.988 556 S HN 0.586 nan 8.310 nan 0.000 0.522 557 T N -2.387 112.172 114.554 0.009 0.000 3.003 557 T HA 0.186 4.434 4.350 -0.170 0.000 0.261 557 T C 0.805 175.510 174.700 0.008 0.000 1.003 557 T CA 0.096 62.200 62.100 0.008 0.000 0.917 557 T CB -0.179 68.692 68.868 0.005 0.000 1.084 557 T HN 0.520 nan 8.240 nan 0.000 0.522 558 D N 2.300 122.704 120.400 0.007 0.000 2.106 558 D HA -0.029 4.509 4.640 -0.170 0.000 0.194 558 D C 1.181 177.484 176.300 0.005 0.000 0.988 558 D CA 1.177 55.179 54.000 0.005 0.000 0.845 558 D CB 0.214 41.017 40.800 0.005 0.000 0.990 558 D HN 0.355 nan 8.370 nan 0.000 0.448 559 R N 0.377 120.884 120.500 0.012 0.000 2.608 559 R HA 0.404 4.641 4.340 -0.170 0.000 0.255 559 R C -0.068 176.255 176.300 0.039 0.000 1.086 559 R CA -0.565 55.545 56.100 0.016 0.000 1.125 559 R CB 0.424 30.738 30.300 0.023 0.000 1.193 559 R HN 0.218 nan 8.270 nan 0.000 0.553 560 E N 1.792 122.029 120.200 0.061 0.000 2.229 560 E HA 0.179 4.427 4.350 -0.170 0.000 0.283 560 E C -0.795 175.917 176.600 0.186 0.000 1.030 560 E CA -0.281 56.194 56.400 0.125 0.000 0.836 560 E CB 1.041 30.852 29.700 0.184 0.000 1.068 560 E HN 0.206 nan 8.360 nan 0.000 0.401 561 K N 2.741 123.212 120.400 0.119 0.000 2.207 561 K HA 0.500 4.718 4.320 -0.170 0.000 0.255 561 K C -0.493 176.122 176.600 0.026 0.000 0.941 561 K CA -0.656 55.684 56.287 0.088 0.000 0.825 561 K CB 1.675 34.205 32.500 0.051 0.000 1.119 561 K HN 0.329 nan 8.250 nan 0.000 0.430 562 I N 3.164 123.727 120.570 -0.013 0.000 2.406 562 I HA 0.297 4.365 4.170 -0.170 0.000 0.290 562 I C -0.567 175.508 176.117 -0.070 0.000 0.999 562 I CA -0.590 60.644 61.300 -0.110 0.000 1.124 562 I CB 1.616 39.452 38.000 -0.273 0.000 1.289 562 I HN 0.659 nan 8.210 nan 0.000 0.441 563 M N 6.353 125.906 119.600 -0.079 0.000 2.157 563 M HA 0.443 4.821 4.480 -0.170 0.000 0.354 563 M C -1.150 175.103 176.300 -0.078 0.000 1.170 563 M CA -0.561 54.703 55.300 -0.059 0.000 1.060 563 M CB 1.467 34.030 32.600 -0.061 0.000 1.615 563 M HN 0.265 nan 8.290 nan 0.000 0.460 564 V N 6.531 126.413 119.914 -0.052 0.000 2.378 564 V HA 0.392 4.409 4.120 -0.170 0.000 0.288 564 V C -0.295 175.782 176.094 -0.027 0.000 1.016 564 V CA -0.723 61.544 62.300 -0.054 0.000 0.840 564 V CB 1.487 33.291 31.823 -0.033 0.000 0.994 564 V HN 0.747 nan 8.190 nan 0.000 0.431 565 L N 4.897 126.103 121.223 -0.028 0.000 2.257 565 L HA 0.568 4.806 4.340 -0.170 0.000 0.290 565 L C 1.094 177.966 176.870 0.004 0.000 1.044 565 L CA -0.071 54.758 54.840 -0.018 0.000 0.810 565 L CB 1.131 43.173 42.059 -0.027 0.000 1.193 565 L HN 0.779 nan 8.230 nan 0.000 0.425 566 G N 1.661 110.455 108.800 -0.010 0.000 2.621 566 G HA2 0.331 4.188 3.960 -0.170 0.000 0.271 566 G HA3 0.331 4.188 3.960 -0.170 0.000 0.271 566 G C 0.846 175.734 174.900 -0.020 0.000 1.236 566 G CA 0.021 45.118 45.100 -0.005 0.000 0.958 566 G HN 0.771 nan 8.290 nan 0.000 0.512 567 G N -1.593 107.196 108.800 -0.018 0.000 3.088 567 G HA2 0.502 4.359 3.960 -0.170 0.000 0.217 567 G HA3 0.502 4.359 3.960 -0.170 0.000 0.217 567 G C 1.027 175.893 174.900 -0.056 0.000 1.159 567 G CA 0.850 45.919 45.100 -0.051 0.000 0.760 567 G HN 1.842 nan 8.290 nan 0.000 0.550 568 G N 0.660 109.425 108.800 -0.057 0.000 2.553 568 G HA2 -0.174 3.683 3.960 -0.170 0.000 0.242 568 G HA3 -0.174 3.683 3.960 -0.170 0.000 0.242 568 G C -2.460 172.413 174.900 -0.046 0.000 1.277 568 G CA -0.326 44.740 45.100 -0.057 0.000 0.910 568 G HN 0.353 nan 8.290 nan 0.000 0.576 569 P HA 0.180 nan 4.420 nan 0.000 0.266 569 P C -0.040 177.242 177.300 -0.031 0.000 1.195 569 P CA 0.125 63.206 63.100 -0.032 0.000 0.768 569 P CB 0.128 31.810 31.700 -0.031 0.000 0.838 570 N N 2.442 121.125 118.700 -0.027 0.000 2.482 570 N HA 0.400 5.038 4.740 -0.170 0.000 0.260 570 N C 0.093 175.588 175.510 -0.025 0.000 1.236 570 N CA -0.145 52.899 53.050 -0.011 0.000 0.938 570 N CB 0.418 38.908 38.487 0.005 0.000 1.128 570 N HN 0.346 nan 8.380 nan 0.000 0.448 571 R N 0.116 120.609 120.500 -0.012 0.000 2.752 571 R HA 0.451 4.688 4.340 -0.170 0.000 0.271 571 R C -0.977 175.325 176.300 0.003 0.000 1.026 571 R CA -0.801 55.291 56.100 -0.015 0.000 0.901 571 R CB 0.757 31.042 30.300 -0.025 0.000 1.243 571 R HN 0.401 nan 8.270 nan 0.000 0.463 572 I N 1.953 122.527 120.570 0.006 0.000 2.668 572 I HA 0.138 4.205 4.170 -0.170 0.000 0.285 572 I C 1.113 177.221 176.117 -0.014 0.000 1.168 572 I CA 1.733 63.035 61.300 0.004 0.000 1.424 572 I CB 0.391 38.396 38.000 0.009 0.000 1.377 572 I HN 0.983 nan 8.210 nan 0.000 0.560 573 G N 4.862 113.675 108.800 0.023 0.000 2.213 573 G HA2 -0.204 3.654 3.960 -0.170 0.000 0.236 573 G HA3 -0.204 3.654 3.960 -0.170 0.000 0.236 573 G C 0.286 175.271 174.900 0.142 0.000 0.991 573 G CA -0.402 44.732 45.100 0.056 0.000 0.629 573 G HN 0.534 nan 8.290 nan 0.000 0.517 574 Q N 0.913 120.773 119.800 0.099 0.000 3.075 574 Q HA 0.521 4.758 4.340 -0.170 0.000 0.318 574 Q C 0.716 176.835 176.000 0.197 0.000 0.907 574 Q CA 0.343 56.174 55.803 0.046 0.000 0.882 574 Q CB 0.717 29.381 28.738 -0.123 0.000 1.386 574 Q HN 0.586 nan 8.270 nan 0.000 0.408 575 G N 0.027 109.042 108.800 0.359 0.000 2.531 575 G HA2 0.335 4.192 3.960 -0.170 0.000 0.281 575 G HA3 0.335 4.192 3.960 -0.170 0.000 0.281 575 G C 0.800 175.821 174.900 0.201 0.000 1.382 575 G CA -0.601 44.619 45.100 0.201 0.000 1.045 575 G HN 0.458 nan 8.290 nan 0.000 0.533 576 I N -0.355 120.263 120.570 0.081 0.000 2.530 576 I HA -0.161 3.907 4.170 -0.170 0.000 0.257 576 I C 2.494 178.620 176.117 0.015 0.000 1.179 576 I CA 1.313 62.649 61.300 0.059 0.000 1.440 576 I CB 0.009 38.035 38.000 0.043 0.000 1.087 576 I HN 0.565 nan 8.210 nan 0.000 0.440 577 E N 0.584 120.712 120.200 -0.121 0.000 2.070 577 E HA -0.248 4.000 4.350 -0.170 0.000 0.197 577 E C 1.842 178.225 176.600 -0.362 0.000 1.004 577 E CA 1.866 58.060 56.400 -0.344 0.000 0.805 577 E CB -0.383 28.966 29.700 -0.585 0.000 0.744 577 E HN 0.508 nan 8.360 nan 0.000 0.451 578 F N 0.420 120.372 119.950 0.003 0.000 2.206 578 F HA -0.062 4.361 4.527 -0.173 0.000 0.298 578 F C 2.105 177.926 175.800 0.035 0.000 1.090 578 F CA 1.241 59.246 58.000 0.008 0.000 1.323 578 F CB -0.460 38.545 39.000 0.008 0.000 1.028 578 F HN -0.004 nan 8.300 nan 0.000 0.492 579 D N -0.978 119.543 120.400 0.202 0.000 2.144 579 D HA -0.265 4.272 4.640 -0.170 0.000 0.199 579 D C 2.143 178.497 176.300 0.089 0.000 0.984 579 D CA 0.960 55.036 54.000 0.128 0.000 0.834 579 D CB -0.250 40.604 40.800 0.090 0.000 0.955 579 D HN 0.300 nan 8.370 nan 0.000 0.465 580 Y N 0.628 120.877 120.300 -0.086 0.000 2.081 580 Y HA -0.354 4.094 4.550 -0.170 0.000 0.280 580 Y C 2.315 178.065 175.900 -0.250 0.000 1.163 580 Y CA 1.853 59.835 58.100 -0.198 0.000 1.135 580 Y CB -0.631 37.676 38.460 -0.255 0.000 0.970 580 Y HN 0.150 nan 8.280 nan 0.000 0.498 581 C N -0.546 118.773 119.300 0.031 0.000 2.393 581 C HA -0.298 4.060 4.460 -0.170 0.000 0.276 581 C C 3.008 178.104 174.990 0.176 0.000 1.215 581 C CA 1.152 60.145 59.018 -0.042 0.000 1.743 581 C CB -1.751 25.834 27.740 -0.259 0.000 2.044 581 C HN 0.822 nan 8.230 nan 0.000 0.464 582 C N 0.270 119.697 119.300 0.213 0.000 2.385 582 C HA -0.135 4.222 4.460 -0.170 0.000 0.275 582 C C 2.746 177.820 174.990 0.140 0.000 1.207 582 C CA 1.478 60.632 59.018 0.227 0.000 1.760 582 C CB -1.410 26.420 27.740 0.149 0.000 2.051 582 C HN 0.565 nan 8.230 nan 0.000 0.467 583 V N -0.393 119.556 119.914 0.059 0.000 2.295 583 V HA -0.268 3.749 4.120 -0.170 0.000 0.246 583 V C 2.240 178.407 176.094 0.123 0.000 1.049 583 V CA 2.222 64.546 62.300 0.041 0.000 1.024 583 V CB -0.969 30.832 31.823 -0.037 0.000 0.648 583 V HN 0.666 nan 8.190 nan 0.000 0.447 584 H N -0.350 118.674 119.070 -0.077 0.000 2.387 584 H HA -0.171 4.284 4.556 -0.169 0.000 0.299 584 H C 2.337 177.698 175.328 0.056 0.000 1.099 584 H CA 1.113 57.131 56.048 -0.050 0.000 1.315 584 H CB 0.012 29.724 29.762 -0.083 0.000 1.380 584 H HN 0.488 nan 8.280 nan 0.000 0.513 585 A N 0.181 123.165 122.820 0.273 0.000 1.902 585 A HA -0.213 4.004 4.320 -0.170 0.000 0.217 585 A C 2.541 180.162 177.584 0.061 0.000 1.181 585 A CA 1.817 53.947 52.037 0.154 0.000 0.623 585 A CB -0.745 18.281 19.000 0.043 0.000 0.818 585 A HN 0.351 nan 8.150 nan 0.000 0.443 586 S N -0.450 115.288 115.700 0.065 0.000 2.343 586 S HA -0.101 4.267 4.470 -0.170 0.000 0.219 586 S C 1.969 176.591 174.600 0.036 0.000 1.033 586 S CA 1.405 59.627 58.200 0.037 0.000 1.014 586 S CB -0.549 62.671 63.200 0.034 0.000 0.915 586 S HN 0.479 nan 8.310 nan 0.000 0.435 587 L N 1.201 122.443 121.223 0.032 0.000 2.021 587 L HA -0.220 4.017 4.340 -0.170 0.000 0.215 587 L C 2.879 179.749 176.870 -0.000 0.000 1.074 587 L CA 1.555 56.397 54.840 0.003 0.000 0.760 587 L CB -0.976 41.061 42.059 -0.036 0.000 0.889 587 L HN 0.436 nan 8.230 nan 0.000 0.433 588 A N 0.427 123.248 122.820 0.001 0.000 1.841 588 A HA -0.196 4.021 4.320 -0.170 0.000 0.216 588 A C 2.205 179.825 177.584 0.060 0.000 1.199 588 A CA 1.705 53.751 52.037 0.015 0.000 0.621 588 A CB -0.933 18.079 19.000 0.022 0.000 0.835 588 A HN 0.369 nan 8.150 nan 0.000 0.445 589 L N -1.018 120.252 121.223 0.080 0.000 2.127 589 L HA -0.192 4.046 4.340 -0.170 0.000 0.211 589 L C 2.801 179.802 176.870 0.219 0.000 1.089 589 L CA 1.767 56.712 54.840 0.175 0.000 0.757 589 L CB -0.507 41.581 42.059 0.047 0.000 0.899 589 L HN 0.512 nan 8.230 nan 0.000 0.434 590 R N 0.621 121.192 120.500 0.117 0.000 2.073 590 R HA -0.213 4.025 4.340 -0.170 0.000 0.229 590 R C 2.217 178.550 176.300 0.056 0.000 1.120 590 R CA 1.597 57.750 56.100 0.087 0.000 0.967 590 R CB -0.020 30.313 30.300 0.056 0.000 0.862 590 R HN 0.271 nan 8.270 nan 0.000 0.436 591 E N 0.734 120.960 120.200 0.043 0.000 2.077 591 E HA -0.185 4.062 4.350 -0.170 0.000 0.193 591 E C 0.861 177.470 176.600 0.016 0.000 0.989 591 E CA 1.888 58.300 56.400 0.020 0.000 0.800 591 E CB -0.075 29.631 29.700 0.010 0.000 0.746 591 E HN 0.314 nan 8.360 nan 0.000 0.452 592 D N -0.941 119.486 120.400 0.044 0.000 2.378 592 D HA 0.077 4.615 4.640 -0.170 0.000 0.227 592 D C 0.939 177.199 176.300 -0.067 0.000 1.012 592 D CA 1.023 55.038 54.000 0.024 0.000 0.905 592 D CB 0.161 41.033 40.800 0.119 0.000 0.895 592 D HN 0.393 nan 8.370 nan 0.000 0.532 593 G N -0.364 108.417 108.800 -0.032 0.000 2.143 593 G HA2 -0.314 3.544 3.960 -0.170 0.000 0.249 593 G HA3 -0.314 3.544 3.960 -0.170 0.000 0.249 593 G C -0.011 174.834 174.900 -0.092 0.000 0.981 593 G CA -0.245 44.809 45.100 -0.077 0.000 0.665 593 G HN 0.307 nan 8.290 nan 0.000 0.528 594 Y N 0.475 120.773 120.300 -0.004 0.000 2.301 594 Y HA 0.466 4.914 4.550 -0.170 0.000 0.328 594 Y C 0.978 176.877 175.900 -0.002 0.000 1.242 594 Y CA -0.139 57.959 58.100 -0.004 0.000 1.323 594 Y CB 0.745 39.201 38.460 -0.008 0.000 1.266 594 Y HN 0.246 nan 8.280 nan 0.000 0.527 595 E N 1.684 121.996 120.200 0.187 0.000 2.152 595 E HA 0.171 4.418 4.350 -0.170 0.000 0.285 595 E C -0.866 175.791 176.600 0.094 0.000 1.043 595 E CA -0.563 55.900 56.400 0.104 0.000 0.839 595 E CB 0.445 30.187 29.700 0.070 0.000 1.069 595 E HN 0.651 nan 8.360 nan 0.000 0.399 596 T N 2.508 117.106 114.554 0.073 0.000 2.799 596 T HA 0.512 4.760 4.350 -0.170 0.000 0.286 596 T C 0.108 174.835 174.700 0.046 0.000 0.973 596 T CA -0.722 61.407 62.100 0.049 0.000 1.035 596 T CB 0.555 69.447 68.868 0.040 0.000 0.932 596 T HN 0.354 nan 8.240 nan 0.000 0.469 597 I N 3.454 124.051 120.570 0.046 0.000 2.411 597 I HA 0.377 4.444 4.170 -0.170 0.000 0.284 597 I C -0.310 175.851 176.117 0.073 0.000 1.012 597 I CA -0.903 60.447 61.300 0.084 0.000 1.119 597 I CB 1.829 39.904 38.000 0.124 0.000 1.261 597 I HN 0.591 nan 8.210 nan 0.000 0.448 598 M N 7.745 127.390 119.600 0.075 0.000 2.264 598 M HA 0.540 4.918 4.480 -0.170 0.000 0.352 598 M C -1.270 175.076 176.300 0.077 0.000 1.173 598 M CA -0.243 55.085 55.300 0.046 0.000 1.075 598 M CB 1.457 34.063 32.600 0.010 0.000 1.621 598 M HN 0.293 nan 8.290 nan 0.000 0.457 599 V N 5.484 125.415 119.914 0.029 0.000 2.349 599 V HA 0.642 4.659 4.120 -0.170 0.000 0.284 599 V C -0.681 175.380 176.094 -0.054 0.000 1.014 599 V CA -0.587 61.727 62.300 0.024 0.000 0.826 599 V CB 0.825 32.648 31.823 0.000 0.000 1.009 599 V HN 0.946 nan 8.190 nan 0.000 0.431 600 N N 2.589 121.204 118.700 -0.142 0.000 2.823 600 N HA 0.516 5.154 4.740 -0.170 0.000 0.251 600 N C -0.200 174.988 175.510 -0.538 0.000 1.392 600 N CA -0.202 52.700 53.050 -0.246 0.000 0.864 600 N CB 2.060 40.419 38.487 -0.213 0.000 1.481 600 N HN 0.611 nan 8.380 nan 0.000 0.508 601 C N -0.508 118.502 119.300 -0.485 0.000 3.486 601 C HA 0.518 4.876 4.460 -0.170 0.000 0.264 601 C C 0.119 174.935 174.990 -0.290 0.000 1.756 601 C CA -0.965 57.658 59.018 -0.658 0.000 1.764 601 C CB -1.524 26.145 27.740 -0.117 0.000 3.238 601 C HN 0.585 nan 8.230 nan 0.000 0.524 602 N N 3.317 121.864 118.700 -0.256 0.000 2.411 602 N HA 0.286 4.924 4.740 -0.170 0.000 0.259 602 N C -1.081 174.438 175.510 0.014 0.000 1.103 602 N CA -1.916 51.093 53.050 -0.068 0.000 0.954 602 N CB 1.629 40.070 38.487 -0.076 0.000 1.085 602 N HN 0.284 nan 8.380 nan 0.000 0.485 603 P HA -0.037 nan 4.420 nan 0.000 0.225 603 P C 0.282 177.524 177.300 -0.097 0.000 1.156 603 P CA 1.045 64.234 63.100 0.149 0.000 0.787 603 P CB 0.532 32.295 31.700 0.104 0.000 0.802 604 E N 0.102 120.241 120.200 -0.101 0.000 2.216 604 E HA -0.029 4.219 4.350 -0.170 0.000 0.192 604 E C 1.047 177.553 176.600 -0.157 0.000 0.988 604 E CA 0.781 57.092 56.400 -0.149 0.000 0.834 604 E CB -0.349 29.291 29.700 -0.099 0.000 0.772 604 E HN 0.381 nan 8.360 nan 0.000 0.479 605 T N -1.968 112.511 114.554 -0.125 0.000 2.847 605 T HA 0.167 4.414 4.350 -0.170 0.000 0.279 605 T C 1.371 176.058 174.700 -0.022 0.000 0.984 605 T CA -0.759 61.314 62.100 -0.045 0.000 0.988 605 T CB 1.690 70.542 68.868 -0.028 0.000 1.040 605 T HN -0.216 nan 8.240 nan 0.000 0.528 606 V N 1.692 121.661 119.914 0.092 0.000 2.515 606 V HA -0.142 3.875 4.120 -0.170 0.000 0.250 606 V C 3.076 179.194 176.094 0.040 0.000 1.058 606 V CA 2.110 64.492 62.300 0.137 0.000 1.064 606 V CB -1.118 30.763 31.823 0.097 0.000 0.675 606 V HN 1.110 nan 8.190 nan 0.000 0.461 607 S N 1.019 116.719 115.700 -0.001 0.000 2.400 607 S HA -0.204 4.164 4.470 -0.170 0.000 0.232 607 S C 1.745 176.302 174.600 -0.071 0.000 1.025 607 S CA 1.774 59.956 58.200 -0.030 0.000 0.993 607 S CB -0.855 62.327 63.200 -0.030 0.000 0.808 607 S HN 0.723 nan 8.310 nan 0.000 0.478 608 T N -1.096 113.397 114.554 -0.102 0.000 3.244 608 T HA 0.231 4.479 4.350 -0.170 0.000 0.254 608 T C -0.120 174.521 174.700 -0.098 0.000 1.024 608 T CA -0.353 61.677 62.100 -0.116 0.000 0.920 608 T CB -0.239 68.548 68.868 -0.134 0.000 1.042 608 T HN 0.269 nan 8.240 nan 0.000 0.572 609 D N 1.540 121.892 120.400 -0.081 0.000 2.313 609 D HA 0.105 4.643 4.640 -0.170 0.000 0.239 609 D C 1.126 177.308 176.300 -0.197 0.000 1.142 609 D CA -0.971 52.971 54.000 -0.097 0.000 0.847 609 D CB 0.795 41.633 40.800 0.063 0.000 1.082 609 D HN 0.431 nan 8.370 nan 0.000 0.480 610 Y N 2.124 122.351 120.300 -0.123 0.000 2.365 610 Y HA -0.157 4.291 4.550 -0.170 0.000 0.287 610 Y C 1.246 177.127 175.900 -0.033 0.000 1.162 610 Y CA 0.912 58.933 58.100 -0.131 0.000 1.260 610 Y CB -0.462 37.932 38.460 -0.110 0.000 0.976 610 Y HN 0.239 nan 8.280 nan 0.000 0.548 611 D N 0.212 120.482 120.400 -0.217 0.000 2.269 611 D HA -0.088 4.449 4.640 -0.170 0.000 0.208 611 D C 1.792 178.079 176.300 -0.022 0.000 0.963 611 D CA 1.529 55.489 54.000 -0.068 0.000 0.864 611 D CB -0.177 40.527 40.800 -0.161 0.000 0.936 611 D HN 0.507 nan 8.370 nan 0.000 0.505 612 T N -0.398 114.134 114.554 -0.037 0.000 2.995 612 T HA -0.011 4.237 4.350 -0.170 0.000 0.269 612 T C 1.132 175.838 174.700 0.009 0.000 1.091 612 T CA 0.687 62.780 62.100 -0.011 0.000 1.128 612 T CB 0.183 69.043 68.868 -0.015 0.000 0.891 612 T HN 0.205 nan 8.240 nan 0.000 0.492 613 S N -0.324 115.387 115.700 0.018 0.000 2.794 613 S HA 0.445 4.813 4.470 -0.170 0.000 0.299 613 S C -0.090 174.533 174.600 0.037 0.000 1.179 613 S CA -0.912 57.304 58.200 0.027 0.000 0.838 613 S CB 1.399 64.613 63.200 0.023 0.000 1.206 613 S HN -0.100 nan 8.310 nan 0.000 0.523 614 D N 0.546 120.968 120.400 0.035 0.000 2.162 614 D HA 0.143 4.681 4.640 -0.170 0.000 0.205 614 D C 0.155 176.466 176.300 0.018 0.000 0.964 614 D CA 1.012 55.032 54.000 0.033 0.000 0.847 614 D CB 0.132 40.952 40.800 0.033 0.000 0.988 614 D HN 0.398 nan 8.370 nan 0.000 0.480 615 R N 0.265 120.768 120.500 0.005 0.000 2.513 615 R HA 0.500 4.737 4.340 -0.170 0.000 0.301 615 R C -1.172 175.099 176.300 -0.050 0.000 0.968 615 R CA -0.760 55.306 56.100 -0.056 0.000 0.872 615 R CB 2.403 32.656 30.300 -0.079 0.000 1.177 615 R HN -0.082 nan 8.270 nan 0.000 0.444 616 L N 3.167 124.337 121.223 -0.089 0.000 2.319 616 L HA 0.429 4.667 4.340 -0.170 0.000 0.281 616 L C -1.651 175.217 176.870 -0.005 0.000 1.005 616 L CA -0.430 54.401 54.840 -0.015 0.000 0.828 616 L CB 0.924 42.966 42.059 -0.028 0.000 1.227 616 L HN 0.533 nan 8.230 nan 0.000 0.415 617 Y N 5.266 125.624 120.300 0.095 0.000 2.491 617 Y HA 0.310 4.758 4.550 -0.171 0.000 0.334 617 Y C -0.350 175.659 175.900 0.182 0.000 0.969 617 Y CA -0.176 58.010 58.100 0.143 0.000 1.241 617 Y CB 0.982 39.461 38.460 0.032 0.000 1.105 617 Y HN 0.555 nan 8.280 nan 0.000 0.503 618 F N 4.865 125.024 119.950 0.348 0.000 2.652 618 F HA 0.217 4.642 4.527 -0.171 0.000 0.352 618 F C 0.020 175.967 175.800 0.245 0.000 1.259 618 F CA -0.136 58.037 58.000 0.288 0.000 1.249 618 F CB -0.369 38.869 39.000 0.397 0.000 1.628 618 F HN 0.430 nan 8.300 nan 0.000 0.654 619 E N 3.650 123.993 120.200 0.238 0.000 2.410 619 E HA 0.383 4.631 4.350 -0.170 0.000 0.269 619 E C -2.718 173.940 176.600 0.096 0.000 0.937 619 E CA -2.310 54.224 56.400 0.223 0.000 0.793 619 E CB 1.396 31.238 29.700 0.238 0.000 1.314 619 E HN 0.034 nan 8.360 nan 0.000 0.447 620 P HA 0.050 nan 4.420 nan 0.000 0.267 620 P C 0.101 177.419 177.300 0.030 0.000 1.205 620 P CA -0.100 63.035 63.100 0.057 0.000 0.765 620 P CB 0.358 32.097 31.700 0.065 0.000 0.828 621 V N 3.885 123.800 119.914 0.001 0.000 1.973 621 V HA 0.085 4.103 4.120 -0.170 0.000 0.255 621 V C 1.119 177.210 176.094 -0.006 0.000 1.605 621 V CA 0.321 62.614 62.300 -0.012 0.000 1.542 621 V CB -1.457 30.347 31.823 -0.031 0.000 1.504 621 V HN 0.672 nan 8.190 nan 0.000 0.505 622 T N -0.859 113.699 114.554 0.008 0.000 2.940 622 T HA 0.544 4.792 4.350 -0.170 0.000 0.288 622 T C 0.733 175.438 174.700 0.009 0.000 1.045 622 T CA -0.700 61.406 62.100 0.010 0.000 1.018 622 T CB 2.120 71.004 68.868 0.026 0.000 1.151 622 T HN 0.067 nan 8.240 nan 0.000 0.529 623 L N 0.893 122.122 121.223 0.009 0.000 1.994 623 L HA 0.040 4.277 4.340 -0.170 0.000 0.208 623 L C 2.687 179.570 176.870 0.021 0.000 1.071 623 L CA 2.451 57.296 54.840 0.008 0.000 0.745 623 L CB -1.122 40.942 42.059 0.008 0.000 0.892 623 L HN 1.021 nan 8.230 nan 0.000 0.431 624 E N -0.665 119.556 120.200 0.036 0.000 2.033 624 E HA -0.291 3.957 4.350 -0.170 0.000 0.199 624 E C 1.777 178.419 176.600 0.070 0.000 1.011 624 E CA 2.020 58.455 56.400 0.058 0.000 0.815 624 E CB -0.348 29.393 29.700 0.069 0.000 0.755 624 E HN 0.606 nan 8.360 nan 0.000 0.451 625 D N 0.116 120.557 120.400 0.068 0.000 2.149 625 D HA -0.145 4.393 4.640 -0.170 0.000 0.198 625 D C 2.186 178.509 176.300 0.040 0.000 0.990 625 D CA 1.346 55.394 54.000 0.080 0.000 0.839 625 D CB -0.002 40.851 40.800 0.088 0.000 0.948 625 D HN 0.179 nan 8.370 nan 0.000 0.460 626 V N 1.530 121.447 119.914 0.005 0.000 2.379 626 V HA -0.185 3.833 4.120 -0.170 0.000 0.245 626 V C 2.683 178.746 176.094 -0.053 0.000 1.044 626 V CA 0.913 63.187 62.300 -0.044 0.000 1.036 626 V CB -0.409 31.391 31.823 -0.039 0.000 0.664 626 V HN 0.181 nan 8.190 nan 0.000 0.453 627 L N -0.311 120.904 121.223 -0.012 0.000 2.079 627 L HA -0.177 4.061 4.340 -0.170 0.000 0.210 627 L C 2.717 179.588 176.870 0.002 0.000 1.081 627 L CA 1.321 56.159 54.840 -0.004 0.000 0.752 627 L CB -0.611 41.462 42.059 0.023 0.000 0.896 627 L HN 0.349 nan 8.230 nan 0.000 0.433 628 E N 0.154 120.378 120.200 0.040 0.000 2.150 628 E HA -0.141 4.107 4.350 -0.170 0.000 0.193 628 E C 2.240 178.843 176.600 0.004 0.000 0.985 628 E CA 1.132 57.586 56.400 0.090 0.000 0.814 628 E CB -0.058 29.753 29.700 0.185 0.000 0.752 628 E HN 0.554 nan 8.360 nan 0.000 0.466 629 I N 0.181 120.663 120.570 -0.147 0.000 2.333 629 I HA -0.176 3.892 4.170 -0.170 0.000 0.246 629 I C 2.262 178.191 176.117 -0.314 0.000 1.106 629 I CA 0.449 61.480 61.300 -0.450 0.000 1.411 629 I CB -0.081 37.500 38.000 -0.699 0.000 1.082 629 I HN -0.098 nan 8.210 nan 0.000 0.420 630 V N 0.792 120.592 119.914 -0.190 0.000 2.626 630 V HA -0.233 3.784 4.120 -0.170 0.000 0.252 630 V C 2.576 178.614 176.094 -0.094 0.000 1.067 630 V CA 1.553 63.778 62.300 -0.125 0.000 1.081 630 V CB -0.807 30.965 31.823 -0.086 0.000 0.686 630 V HN 0.378 nan 8.190 nan 0.000 0.468 631 R N 0.233 120.681 120.500 -0.087 0.000 2.096 631 R HA -0.152 4.085 4.340 -0.170 0.000 0.235 631 R C 2.173 178.423 176.300 -0.083 0.000 1.127 631 R CA 2.168 58.220 56.100 -0.081 0.000 0.968 631 R CB -0.153 30.091 30.300 -0.093 0.000 0.861 631 R HN 0.749 nan 8.270 nan 0.000 0.440 632 I N -3.106 117.412 120.570 -0.086 0.000 3.708 632 I HA 0.120 4.187 4.170 -0.170 0.000 0.302 632 I C 1.494 177.579 176.117 -0.054 0.000 1.255 632 I CA 0.343 61.606 61.300 -0.061 0.000 1.362 632 I CB 0.136 38.115 38.000 -0.035 0.000 1.100 632 I HN -0.142 nan 8.210 nan 0.000 0.434 633 E N 2.211 122.362 120.200 -0.081 0.000 2.075 633 E HA -0.009 4.238 4.350 -0.170 0.000 0.190 633 E C 0.146 176.726 176.600 -0.033 0.000 0.969 633 E CA 0.414 56.785 56.400 -0.049 0.000 0.815 633 E CB -0.033 29.625 29.700 -0.070 0.000 0.776 633 E HN 0.458 nan 8.360 nan 0.000 0.457 634 K N 1.089 121.461 120.400 -0.046 0.000 3.419 634 K HA -0.134 4.084 4.320 -0.170 0.000 0.272 634 K C -2.492 174.096 176.600 -0.021 0.000 0.973 634 K CA 0.214 56.482 56.287 -0.032 0.000 0.749 634 K CB -1.410 31.076 32.500 -0.023 0.000 1.403 634 K HN 0.210 nan 8.250 nan 0.000 0.456 635 P HA -0.007 nan 4.420 nan 0.000 0.272 635 P C 0.479 177.770 177.300 -0.016 0.000 1.240 635 P CA -0.322 62.767 63.100 -0.018 0.000 0.791 635 P CB 0.923 32.602 31.700 -0.035 0.000 0.978 636 K N -0.000 120.396 120.400 -0.006 0.000 2.155 636 K HA 0.139 4.357 4.320 -0.170 0.000 0.203 636 K C 0.706 177.286 176.600 -0.033 0.000 1.052 636 K CA 1.191 57.477 56.287 -0.001 0.000 0.948 636 K CB -0.350 32.173 32.500 0.038 0.000 0.728 636 K HN 0.730 nan 8.250 nan 0.000 0.448 637 G N -1.211 107.551 108.800 -0.062 0.000 2.547 637 G HA2 0.459 4.316 3.960 -0.170 0.000 0.291 637 G HA3 0.459 4.316 3.960 -0.170 0.000 0.291 637 G C -1.970 172.872 174.900 -0.098 0.000 1.471 637 G CA -0.747 44.304 45.100 -0.082 0.000 0.798 637 G HN -0.076 nan 8.290 nan 0.000 0.504 638 V N 0.919 120.777 119.914 -0.093 0.000 2.531 638 V HA 0.484 4.502 4.120 -0.170 0.000 0.301 638 V C -0.284 175.743 176.094 -0.111 0.000 1.034 638 V CA -0.572 61.670 62.300 -0.096 0.000 0.865 638 V CB 1.646 33.425 31.823 -0.073 0.000 0.995 638 V HN 0.660 nan 8.190 nan 0.000 0.424 639 I N 5.053 125.540 120.570 -0.139 0.000 2.312 639 I HA 0.252 4.320 4.170 -0.170 0.000 0.291 639 I C 0.800 176.849 176.117 -0.113 0.000 1.031 639 I CA -0.082 61.114 61.300 -0.175 0.000 1.293 639 I CB 1.680 39.493 38.000 -0.312 0.000 1.403 639 I HN 0.612 nan 8.210 nan 0.000 0.484 640 V N 2.165 122.036 119.914 -0.072 0.000 3.380 640 V HA 0.204 4.222 4.120 -0.170 0.000 0.307 640 V C 0.895 177.004 176.094 0.024 0.000 1.434 640 V CA 0.133 62.418 62.300 -0.025 0.000 1.075 640 V CB 0.020 31.827 31.823 -0.027 0.000 0.954 640 V HN 0.769 nan 8.190 nan 0.000 0.444 641 Q N -0.892 118.943 119.800 0.057 0.000 2.319 641 Q HA 0.332 4.569 4.340 -0.170 0.000 0.202 641 Q C 1.180 177.416 176.000 0.394 0.000 0.896 641 Q CA 0.552 56.461 55.803 0.175 0.000 0.942 641 Q CB 0.023 28.863 28.738 0.169 0.000 1.083 641 Q HN 0.731 nan 8.270 nan 0.000 0.510 642 Y N -1.305 119.034 120.300 0.065 0.000 2.462 642 Y HA 0.366 4.814 4.550 -0.171 0.000 0.253 642 Y C 1.962 177.968 175.900 0.177 0.000 1.095 642 Y CA 0.056 58.231 58.100 0.125 0.000 1.283 642 Y CB 0.108 38.623 38.460 0.091 0.000 1.138 642 Y HN 0.124 nan 8.280 nan 0.000 0.522 643 G N -0.457 108.484 108.800 0.236 0.000 3.088 643 G HA2 0.415 4.272 3.960 -0.170 0.000 0.212 643 G HA3 0.415 4.272 3.960 -0.170 0.000 0.212 643 G C 0.838 175.683 174.900 -0.091 0.000 1.173 643 G CA 0.560 45.741 45.100 0.135 0.000 0.779 643 G HN 0.588 nan 8.290 nan 0.000 0.540 644 G N -0.323 108.342 108.800 -0.225 0.000 2.512 644 G HA2 -0.224 3.634 3.960 -0.170 0.000 0.210 644 G HA3 -0.224 3.634 3.960 -0.170 0.000 0.210 644 G C 0.605 175.292 174.900 -0.354 0.000 1.295 644 G CA 0.131 44.783 45.100 -0.747 0.000 0.934 644 G HN 0.048 nan 8.290 nan 0.000 0.554 645 Q N -0.346 119.238 119.800 -0.359 0.000 2.226 645 Q HA -0.041 4.197 4.340 -0.170 0.000 0.204 645 Q C 2.898 178.816 176.000 -0.137 0.000 0.975 645 Q CA 2.278 57.963 55.803 -0.197 0.000 0.866 645 Q CB -0.930 27.706 28.738 -0.170 0.000 0.915 645 Q HN 0.700 nan 8.270 nan 0.000 0.440 646 T N 1.635 116.104 114.554 -0.142 0.000 2.595 646 T HA -0.118 4.130 4.350 -0.170 0.000 0.264 646 T C -1.038 173.623 174.700 -0.066 0.000 1.058 646 T CA 1.892 63.937 62.100 -0.091 0.000 1.166 646 T CB -1.113 67.704 68.868 -0.084 0.000 0.863 646 T HN 0.277 nan 8.240 nan 0.000 0.415 647 P HA 0.053 nan 4.420 nan 0.000 0.219 647 P C 1.708 178.986 177.300 -0.036 0.000 1.150 647 P CA 0.582 63.658 63.100 -0.039 0.000 0.814 647 P CB -0.203 31.482 31.700 -0.024 0.000 0.787 648 L N 0.575 121.772 121.223 -0.044 0.000 1.990 648 L HA -0.175 4.062 4.340 -0.170 0.000 0.213 648 L C 2.227 179.075 176.870 -0.037 0.000 1.072 648 L CA 2.135 56.953 54.840 -0.037 0.000 0.755 648 L CB -1.074 40.956 42.059 -0.049 0.000 0.889 648 L HN -0.171 nan 8.230 nan 0.000 0.432 649 K N -0.926 119.448 120.400 -0.044 0.000 2.519 649 K HA -0.101 4.117 4.320 -0.170 0.000 0.196 649 K C 1.684 178.266 176.600 -0.030 0.000 1.041 649 K CA 0.836 57.100 56.287 -0.038 0.000 0.954 649 K CB -0.127 32.348 32.500 -0.042 0.000 0.774 649 K HN 0.385 nan 8.250 nan 0.000 0.480 650 L N -0.937 120.269 121.223 -0.029 0.000 2.556 650 L HA 0.142 4.380 4.340 -0.170 0.000 0.226 650 L C 2.292 179.149 176.870 -0.022 0.000 1.089 650 L CA 0.021 54.847 54.840 -0.023 0.000 0.864 650 L CB -0.233 41.811 42.059 -0.024 0.000 1.067 650 L HN 0.067 nan 8.230 nan 0.000 0.477 651 A N 1.060 123.867 122.820 -0.023 0.000 1.869 651 A HA -0.300 3.918 4.320 -0.170 0.000 0.218 651 A C 2.366 179.939 177.584 -0.018 0.000 1.203 651 A CA 2.152 54.177 52.037 -0.021 0.000 0.638 651 A CB -0.558 18.431 19.000 -0.019 0.000 0.831 651 A HN 0.290 nan 8.150 nan 0.000 0.450 652 R N -0.872 119.618 120.500 -0.016 0.000 2.097 652 R HA -0.173 4.064 4.340 -0.170 0.000 0.236 652 R C 2.504 178.796 176.300 -0.012 0.000 1.135 652 R CA 1.780 57.872 56.100 -0.013 0.000 0.934 652 R CB -0.558 29.734 30.300 -0.013 0.000 0.846 652 R HN 0.544 nan 8.270 nan 0.000 0.431 653 A N 0.526 123.338 122.820 -0.012 0.000 1.940 653 A HA -0.158 4.059 4.320 -0.170 0.000 0.219 653 A C 2.164 179.742 177.584 -0.010 0.000 1.176 653 A CA 1.333 53.364 52.037 -0.010 0.000 0.631 653 A CB -0.571 18.423 19.000 -0.009 0.000 0.814 653 A HN 0.263 nan 8.150 nan 0.000 0.446 654 L N -1.131 120.084 121.223 -0.014 0.000 2.056 654 L HA -0.174 4.064 4.340 -0.170 0.000 0.207 654 L C 2.673 179.533 176.870 -0.017 0.000 1.078 654 L CA 1.711 56.541 54.840 -0.017 0.000 0.749 654 L CB -0.478 41.567 42.059 -0.023 0.000 0.901 654 L HN 0.532 nan 8.230 nan 0.000 0.433 655 E N 0.284 120.475 120.200 -0.016 0.000 2.077 655 E HA -0.233 4.015 4.350 -0.170 0.000 0.193 655 E C 2.231 178.825 176.600 -0.011 0.000 0.989 655 E CA 1.090 57.482 56.400 -0.014 0.000 0.800 655 E CB 0.031 29.723 29.700 -0.013 0.000 0.746 655 E HN 0.462 nan 8.360 nan 0.000 0.452 656 A N 1.024 123.839 122.820 -0.009 0.000 1.940 656 A HA -0.087 4.131 4.320 -0.170 0.000 0.219 656 A C 2.173 179.754 177.584 -0.005 0.000 1.176 656 A CA 1.620 53.653 52.037 -0.007 0.000 0.631 656 A CB -0.437 18.559 19.000 -0.006 0.000 0.814 656 A HN 0.324 nan 8.150 nan 0.000 0.446 657 A N -1.401 121.416 122.820 -0.006 0.000 2.276 657 A HA 0.433 4.651 4.320 -0.170 0.000 0.212 657 A C 1.513 179.094 177.584 -0.006 0.000 1.230 657 A CA 0.960 52.995 52.037 -0.004 0.000 0.844 657 A CB -1.229 17.770 19.000 -0.001 0.000 0.860 657 A HN 1.937 nan 8.150 nan 0.000 0.486 658 G N -0.947 107.848 108.800 -0.009 0.000 2.225 658 G HA2 -0.155 3.703 3.960 -0.170 0.000 0.264 658 G HA3 -0.155 3.703 3.960 -0.170 0.000 0.264 658 G C -0.038 174.852 174.900 -0.016 0.000 1.060 658 G CA 0.152 45.245 45.100 -0.011 0.000 0.833 658 G HN 0.728 nan 8.290 nan 0.000 0.498 659 V N 1.407 121.310 119.914 -0.019 0.000 2.465 659 V HA 0.433 4.451 4.120 -0.170 0.000 0.279 659 V C -1.352 174.725 176.094 -0.028 0.000 1.045 659 V CA -1.388 60.896 62.300 -0.027 0.000 0.938 659 V CB 1.704 33.509 31.823 -0.031 0.000 0.986 659 V HN 0.202 nan 8.190 nan 0.000 0.467 660 P HA 0.113 nan 4.420 nan 0.000 0.249 660 P C -0.327 176.947 177.300 -0.043 0.000 1.737 660 P CA 0.007 63.087 63.100 -0.033 0.000 1.128 660 P CB -0.078 31.602 31.700 -0.032 0.000 1.942 661 V N 5.093 124.984 119.914 -0.038 0.000 2.415 661 V HA 0.063 4.080 4.120 -0.170 0.000 0.267 661 V C 1.213 177.280 176.094 -0.046 0.000 1.042 661 V CA -0.222 62.051 62.300 -0.044 0.000 1.000 661 V CB -0.306 31.496 31.823 -0.035 0.000 1.015 661 V HN 0.334 nan 8.190 nan 0.000 0.478 662 I N 2.811 123.342 120.570 -0.066 0.000 2.934 662 I HA 0.993 5.060 4.170 -0.170 0.000 0.315 662 I C 0.772 176.851 176.117 -0.063 0.000 0.997 662 I CA -0.004 61.256 61.300 -0.066 0.000 1.184 662 I CB 1.120 39.065 38.000 -0.092 0.000 1.400 662 I HN 0.811 nan 8.210 nan 0.000 0.549 663 G N 2.217 110.989 108.800 -0.046 0.000 2.693 663 G HA2 -0.191 3.667 3.960 -0.170 0.000 0.226 663 G HA3 -0.191 3.667 3.960 -0.170 0.000 0.226 663 G C -0.127 174.770 174.900 -0.005 0.000 1.354 663 G CA -0.342 44.742 45.100 -0.026 0.000 0.873 663 G HN 1.014 nan 8.290 nan 0.000 0.562 664 T N 1.179 115.741 114.554 0.013 0.000 2.765 664 T HA 0.352 4.600 4.350 -0.170 0.000 0.275 664 T C 1.381 176.086 174.700 0.008 0.000 1.007 664 T CA 1.067 63.178 62.100 0.018 0.000 1.175 664 T CB -0.021 68.862 68.868 0.027 0.000 0.993 664 T HN 1.925 nan 8.240 nan 0.000 0.510 665 S N 4.607 120.312 115.700 0.009 0.000 2.579 665 S HA 0.144 4.511 4.470 -0.170 0.000 0.275 665 S C -1.438 173.163 174.600 0.002 0.000 1.345 665 S CA -1.306 56.896 58.200 0.003 0.000 1.031 665 S CB 0.811 64.014 63.200 0.006 0.000 0.892 665 S HN 0.322 nan 8.310 nan 0.000 0.529 666 P HA -0.134 nan 4.420 nan 0.000 0.216 666 P C 0.987 178.285 177.300 -0.004 0.000 1.150 666 P CA 1.723 64.820 63.100 -0.007 0.000 0.843 666 P CB -0.131 31.564 31.700 -0.010 0.000 0.787 667 D N -0.669 119.730 120.400 -0.001 0.000 2.097 667 D HA -0.135 4.403 4.640 -0.170 0.000 0.197 667 D C 1.959 178.263 176.300 0.006 0.000 0.984 667 D CA 1.378 55.379 54.000 0.001 0.000 0.826 667 D CB -0.586 40.216 40.800 0.003 0.000 0.973 667 D HN -0.036 nan 8.370 nan 0.000 0.460 668 A N 0.281 123.108 122.820 0.012 0.000 1.883 668 A HA -0.179 4.039 4.320 -0.170 0.000 0.217 668 A C 2.378 179.969 177.584 0.012 0.000 1.186 668 A CA 1.432 53.480 52.037 0.019 0.000 0.624 668 A CB -0.972 18.043 19.000 0.024 0.000 0.822 668 A HN 0.410 nan 8.150 nan 0.000 0.444 669 I N -0.518 120.053 120.570 0.002 0.000 2.091 669 I HA -0.322 3.746 4.170 -0.170 0.000 0.239 669 I C 2.338 178.444 176.117 -0.019 0.000 1.061 669 I CA 2.131 63.425 61.300 -0.010 0.000 1.317 669 I CB -0.474 37.521 38.000 -0.009 0.000 1.031 669 I HN 0.413 nan 8.210 nan 0.000 0.401 670 D N 0.430 120.821 120.400 -0.014 0.000 2.116 670 D HA -0.228 4.310 4.640 -0.170 0.000 0.193 670 D C 2.374 178.669 176.300 -0.008 0.000 0.998 670 D CA 1.349 55.340 54.000 -0.016 0.000 0.836 670 D CB 0.014 40.807 40.800 -0.012 0.000 0.951 670 D HN 0.058 nan 8.370 nan 0.000 0.449 671 R N -0.261 120.244 120.500 0.009 0.000 2.119 671 R HA -0.189 4.049 4.340 -0.170 0.000 0.246 671 R C 2.171 178.512 176.300 0.069 0.000 1.146 671 R CA 1.396 57.520 56.100 0.039 0.000 0.962 671 R CB -0.475 29.856 30.300 0.052 0.000 0.863 671 R HN 0.270 nan 8.270 nan 0.000 0.442 672 A N 1.130 123.956 122.820 0.009 0.000 1.872 672 A HA -0.118 4.099 4.320 -0.170 0.000 0.214 672 A C 1.923 179.366 177.584 -0.234 0.000 1.187 672 A CA 1.027 52.999 52.037 -0.108 0.000 0.614 672 A CB -0.201 18.708 19.000 -0.152 0.000 0.826 672 A HN 0.296 nan 8.150 nan 0.000 0.442 673 E N 0.547 120.665 120.200 -0.136 0.000 2.106 673 E HA -0.118 4.130 4.350 -0.170 0.000 0.192 673 E C 0.102 176.661 176.600 -0.069 0.000 0.984 673 E CA 0.466 56.790 56.400 -0.126 0.000 0.806 673 E CB -0.396 29.252 29.700 -0.087 0.000 0.750 673 E HN 0.578 nan 8.360 nan 0.000 0.458 674 D N 1.628 122.015 120.400 -0.021 0.000 2.382 674 D HA -0.045 4.493 4.640 -0.170 0.000 0.259 674 D C 1.234 177.581 176.300 0.078 0.000 1.224 674 D CA -0.115 53.894 54.000 0.014 0.000 0.894 674 D CB 0.676 41.478 40.800 0.003 0.000 1.127 674 D HN 0.005 nan 8.370 nan 0.000 0.487 675 R N 3.633 124.180 120.500 0.080 0.000 2.170 675 R HA -0.188 4.050 4.340 -0.170 0.000 0.242 675 R C 1.410 177.820 176.300 0.182 0.000 1.145 675 R CA 1.007 57.195 56.100 0.146 0.000 0.984 675 R CB -0.314 30.041 30.300 0.092 0.000 0.869 675 R HN 0.567 nan 8.270 nan 0.000 0.455 676 E N 0.480 120.749 120.200 0.116 0.000 2.079 676 E HA 0.051 4.299 4.350 -0.170 0.000 0.191 676 E C 2.194 178.809 176.600 0.024 0.000 0.961 676 E CA -0.103 56.357 56.400 0.100 0.000 0.823 676 E CB 0.223 29.930 29.700 0.011 0.000 0.789 676 E HN 0.151 nan 8.360 nan 0.000 0.459 677 R N 0.141 120.615 120.500 -0.044 0.000 2.103 677 R HA -0.183 4.055 4.340 -0.170 0.000 0.242 677 R C 2.300 178.667 176.300 0.111 0.000 1.142 677 R CA 1.253 57.313 56.100 -0.067 0.000 0.960 677 R CB -0.601 29.695 30.300 -0.007 0.000 0.858 677 R HN 0.226 nan 8.270 nan 0.000 0.439 678 F N 2.027 121.986 119.950 0.014 0.000 2.060 678 F HA -0.200 4.226 4.527 -0.168 0.000 0.295 678 F C 2.727 178.578 175.800 0.085 0.000 1.120 678 F CA 1.784 59.807 58.000 0.039 0.000 1.205 678 F CB -0.749 38.261 39.000 0.017 0.000 0.986 678 F HN 0.004 nan 8.300 nan 0.000 0.470 679 Q N -0.826 118.983 119.800 0.016 0.000 2.173 679 Q HA -0.309 3.929 4.340 -0.170 0.000 0.208 679 Q C 2.038 177.998 176.000 -0.067 0.000 0.989 679 Q CA 2.269 58.017 55.803 -0.092 0.000 0.872 679 Q CB -0.321 28.455 28.738 0.064 0.000 0.909 679 Q HN 0.577 nan 8.270 nan 0.000 0.420 680 H N -0.282 118.732 119.070 -0.093 0.000 2.256 680 H HA -0.063 4.391 4.556 -0.171 0.000 0.299 680 H C 1.955 177.232 175.328 -0.086 0.000 1.071 680 H CA 1.893 57.904 56.048 -0.061 0.000 1.280 680 H CB -0.618 29.135 29.762 -0.014 0.000 1.370 680 H HN 0.450 nan 8.280 nan 0.000 0.490 681 A N 0.353 123.208 122.820 0.058 0.000 2.019 681 A HA -0.130 4.088 4.320 -0.170 0.000 0.219 681 A C 2.590 180.116 177.584 -0.095 0.000 1.164 681 A CA 1.638 53.675 52.037 0.000 0.000 0.644 681 A CB -0.804 18.225 19.000 0.050 0.000 0.805 681 A HN 0.256 nan 8.150 nan 0.000 0.449 682 V N -0.336 119.427 119.914 -0.252 0.000 2.427 682 V HA -0.243 3.775 4.120 -0.170 0.000 0.248 682 V C 2.329 178.331 176.094 -0.152 0.000 1.051 682 V CA 2.101 64.238 62.300 -0.271 0.000 1.048 682 V CB -0.760 30.787 31.823 -0.459 0.000 0.666 682 V HN 0.632 nan 8.190 nan 0.000 0.456 683 E N 0.342 120.456 120.200 -0.142 0.000 2.021 683 E HA -0.305 3.943 4.350 -0.170 0.000 0.200 683 E C 2.411 178.969 176.600 -0.070 0.000 1.015 683 E CA 1.889 58.225 56.400 -0.106 0.000 0.824 683 E CB -0.302 29.322 29.700 -0.127 0.000 0.762 683 E HN 0.509 nan 8.360 nan 0.000 0.454 684 R N 0.839 121.309 120.500 -0.050 0.000 2.185 684 R HA -0.179 4.058 4.340 -0.170 0.000 0.247 684 R C 1.761 178.052 176.300 -0.015 0.000 1.159 684 R CA 1.398 57.485 56.100 -0.021 0.000 0.988 684 R CB -0.248 30.055 30.300 0.004 0.000 0.871 684 R HN 0.206 nan 8.270 nan 0.000 0.458 685 L N 0.358 121.567 121.223 -0.023 0.000 2.607 685 L HA 0.211 4.448 4.340 -0.170 0.000 0.228 685 L C 0.056 176.916 176.870 -0.017 0.000 1.123 685 L CA -0.098 54.737 54.840 -0.007 0.000 0.890 685 L CB 0.015 42.078 42.059 0.008 0.000 1.103 685 L HN 0.063 nan 8.230 nan 0.000 0.468 686 K N 1.392 121.771 120.400 -0.035 0.000 3.653 686 K HA -0.146 4.071 4.320 -0.170 0.000 0.275 686 K C -0.799 175.777 176.600 -0.041 0.000 0.962 686 K CA 0.462 56.725 56.287 -0.040 0.000 0.773 686 K CB -1.420 31.061 32.500 -0.031 0.000 1.463 686 K HN 0.256 nan 8.250 nan 0.000 0.450 687 L N 0.125 121.317 121.223 -0.052 0.000 2.303 687 L HA 0.453 4.691 4.340 -0.170 0.000 0.266 687 L C 0.492 177.323 176.870 -0.064 0.000 1.011 687 L CA -1.228 53.585 54.840 -0.045 0.000 0.818 687 L CB 1.485 43.534 42.059 -0.017 0.000 1.326 687 L HN 0.010 nan 8.230 nan 0.000 0.435 688 K N 2.432 122.790 120.400 -0.070 0.000 2.276 688 K HA 0.300 4.518 4.320 -0.170 0.000 0.285 688 K C -0.926 175.675 176.600 0.002 0.000 1.062 688 K CA -0.041 56.183 56.287 -0.104 0.000 0.918 688 K CB 1.395 33.705 32.500 -0.316 0.000 1.055 688 K HN 0.529 nan 8.250 nan 0.000 0.477 689 Q N 3.617 123.446 119.800 0.047 0.000 2.394 689 Q HA 0.433 4.671 4.340 -0.170 0.000 0.273 689 Q C -2.435 173.673 176.000 0.179 0.000 1.089 689 Q CA -2.069 53.798 55.803 0.107 0.000 0.812 689 Q CB 2.141 30.880 28.738 0.003 0.000 1.353 689 Q HN 0.301 nan 8.270 nan 0.000 0.438 690 P HA 0.158 nan 4.420 nan 0.000 0.275 690 P C -1.289 176.072 177.300 0.101 0.000 1.227 690 P CA -0.243 62.949 63.100 0.153 0.000 0.781 690 P CB 0.704 32.446 31.700 0.071 0.000 0.906 691 A N 3.521 126.395 122.820 0.090 0.000 2.566 691 A HA 0.169 4.387 4.320 -0.170 0.000 0.245 691 A C 0.504 178.114 177.584 0.045 0.000 1.056 691 A CA 0.227 52.290 52.037 0.044 0.000 0.757 691 A CB -1.137 17.863 19.000 0.000 0.000 0.979 691 A HN 0.778 nan 8.150 nan 0.000 0.508 692 N N 0.519 119.236 118.700 0.029 0.000 2.469 692 N HA 0.838 5.475 4.740 -0.170 0.000 0.286 692 N C -0.826 174.696 175.510 0.019 0.000 1.275 692 N CA -0.410 52.657 53.050 0.029 0.000 0.790 692 N CB 2.096 40.609 38.487 0.044 0.000 1.446 692 N HN 0.845 nan 8.380 nan 0.000 0.501 693 A N -0.159 122.675 122.820 0.022 0.000 2.574 693 A HA 0.645 4.863 4.320 -0.170 0.000 0.297 693 A C -1.373 176.234 177.584 0.037 0.000 1.062 693 A CA -0.712 51.340 52.037 0.025 0.000 0.686 693 A CB 1.672 20.682 19.000 0.016 0.000 1.285 693 A HN 0.572 nan 8.150 nan 0.000 0.403 694 T N 1.908 116.488 114.554 0.043 0.000 3.053 694 T HA 0.447 4.695 4.350 -0.170 0.000 0.363 694 T C -0.541 174.193 174.700 0.057 0.000 1.239 694 T CA -0.135 61.996 62.100 0.052 0.000 1.071 694 T CB 0.378 69.276 68.868 0.051 0.000 1.089 694 T HN 0.515 nan 8.240 nan 0.000 0.527 695 V N 3.566 123.526 119.914 0.077 0.000 2.509 695 V HA 0.244 4.262 4.120 -0.170 0.000 0.284 695 V C 1.287 177.440 176.094 0.098 0.000 1.047 695 V CA 0.031 62.384 62.300 0.088 0.000 0.952 695 V CB 1.603 33.498 31.823 0.120 0.000 0.988 695 V HN 0.896 nan 8.190 nan 0.000 0.469 696 T N 2.760 117.353 114.554 0.065 0.000 3.004 696 T HA 0.300 4.548 4.350 -0.170 0.000 0.243 696 T C 0.633 175.359 174.700 0.044 0.000 1.020 696 T CA 0.720 62.854 62.100 0.058 0.000 1.145 696 T CB 0.291 69.180 68.868 0.035 0.000 0.876 696 T HN 0.734 nan 8.240 nan 0.000 0.449 697 A N 0.324 123.142 122.820 -0.002 0.000 2.281 697 A HA 0.678 4.895 4.320 -0.170 0.000 0.329 697 A C 0.906 178.369 177.584 -0.202 0.000 1.122 697 A CA -0.613 51.383 52.037 -0.068 0.000 0.850 697 A CB 0.401 19.365 19.000 -0.059 0.000 1.207 697 A HN 0.118 nan 8.150 nan 0.000 0.495 698 I N 0.620 120.972 120.570 -0.363 0.000 2.090 698 I HA -0.181 3.887 4.170 -0.170 0.000 0.236 698 I C 2.217 178.074 176.117 -0.432 0.000 1.064 698 I CA 1.625 62.475 61.300 -0.750 0.000 1.324 698 I CB -0.636 36.978 38.000 -0.643 0.000 1.044 698 I HN 0.702 nan 8.210 nan 0.000 0.399 699 E N 0.090 120.150 120.200 -0.233 0.000 2.171 699 E HA -0.293 3.955 4.350 -0.170 0.000 0.197 699 E C 2.191 178.748 176.600 -0.073 0.000 0.997 699 E CA 1.385 57.713 56.400 -0.119 0.000 0.810 699 E CB -0.547 29.106 29.700 -0.078 0.000 0.738 699 E HN 0.551 nan 8.360 nan 0.000 0.467 700 M N 0.238 119.793 119.600 -0.076 0.000 2.117 700 M HA -0.151 4.227 4.480 -0.170 0.000 0.262 700 M C 2.257 178.555 176.300 -0.003 0.000 1.065 700 M CA 1.626 56.908 55.300 -0.030 0.000 1.114 700 M CB -0.079 32.507 32.600 -0.025 0.000 1.361 700 M HN 0.119 nan 8.290 nan 0.000 0.408 701 A N -0.237 122.576 122.820 -0.011 0.000 1.858 701 A HA -0.149 4.069 4.320 -0.170 0.000 0.216 701 A C 1.981 179.618 177.584 0.089 0.000 1.190 701 A CA 2.024 54.109 52.037 0.080 0.000 0.617 701 A CB -1.277 17.844 19.000 0.201 0.000 0.827 701 A HN 0.400 nan 8.150 nan 0.000 0.443 702 V N 0.268 120.226 119.914 0.073 0.000 2.317 702 V HA -0.326 3.692 4.120 -0.170 0.000 0.251 702 V C 2.563 178.721 176.094 0.107 0.000 1.065 702 V CA 2.697 65.072 62.300 0.124 0.000 1.049 702 V CB -0.996 30.875 31.823 0.079 0.000 0.651 702 V HN 0.748 nan 8.190 nan 0.000 0.450 703 E N 0.544 120.778 120.200 0.056 0.000 2.028 703 E HA -0.180 4.068 4.350 -0.170 0.000 0.190 703 E C 2.116 178.737 176.600 0.035 0.000 0.984 703 E CA 1.183 57.609 56.400 0.044 0.000 0.800 703 E CB -0.263 29.451 29.700 0.023 0.000 0.758 703 E HN 0.313 nan 8.360 nan 0.000 0.448 704 K N 0.427 120.843 120.400 0.026 0.000 2.147 704 K HA 0.019 4.237 4.320 -0.170 0.000 0.205 704 K C 1.784 178.377 176.600 -0.012 0.000 1.049 704 K CA 1.196 57.490 56.287 0.012 0.000 0.936 704 K CB -0.817 31.696 32.500 0.021 0.000 0.722 704 K HN 0.255 nan 8.250 nan 0.000 0.446 705 A N 0.751 123.564 122.820 -0.011 0.000 1.851 705 A HA -0.235 3.983 4.320 -0.170 0.000 0.216 705 A C 2.060 179.581 177.584 -0.106 0.000 1.195 705 A CA 2.106 54.067 52.037 -0.127 0.000 0.622 705 A CB -0.583 18.375 19.000 -0.069 0.000 0.831 705 A HN 0.255 nan 8.150 nan 0.000 0.444 706 K N -0.260 120.183 120.400 0.073 0.000 2.107 706 K HA -0.232 3.986 4.320 -0.170 0.000 0.211 706 K C 2.038 178.665 176.600 0.044 0.000 1.049 706 K CA 2.040 58.403 56.287 0.127 0.000 0.927 706 K CB -0.184 32.383 32.500 0.111 0.000 0.714 706 K HN 0.684 nan 8.250 nan 0.000 0.452 707 E N 0.021 120.226 120.200 0.008 0.000 2.000 707 E HA -0.216 4.032 4.350 -0.170 0.000 0.199 707 E C 2.013 178.586 176.600 -0.045 0.000 1.011 707 E CA 1.724 58.116 56.400 -0.013 0.000 0.836 707 E CB -0.168 29.524 29.700 -0.013 0.000 0.778 707 E HN 0.179 nan 8.360 nan 0.000 0.462 708 I N 0.160 120.690 120.570 -0.067 0.000 2.113 708 I HA -0.218 3.850 4.170 -0.170 0.000 0.242 708 I C 1.148 177.171 176.117 -0.157 0.000 1.064 708 I CA 1.448 62.692 61.300 -0.093 0.000 1.320 708 I CB -0.454 37.503 38.000 -0.071 0.000 1.028 708 I HN 0.364 nan 8.210 nan 0.000 0.406 709 G N -1.096 107.619 108.800 -0.142 0.000 3.067 709 G HA2 -0.165 3.693 3.960 -0.170 0.000 0.686 709 G HA3 -0.165 3.693 3.960 -0.170 0.000 0.686 709 G C -0.775 174.160 174.900 0.057 0.000 1.119 709 G CA -1.039 44.019 45.100 -0.071 0.000 0.790 709 G HN 0.060 nan 8.290 nan 0.000 0.605 710 Y N 2.266 122.659 120.300 0.157 0.000 2.326 710 Y HA 0.477 4.924 4.550 -0.172 0.000 0.333 710 Y C -0.853 175.191 175.900 0.239 0.000 1.240 710 Y CA -1.035 57.162 58.100 0.162 0.000 1.365 710 Y CB 0.519 39.044 38.460 0.109 0.000 1.289 710 Y HN 0.517 nan 8.280 nan 0.000 0.548 711 P HA 0.263 nan 4.420 nan 0.000 0.274 711 P C -1.283 175.957 177.300 -0.100 0.000 1.256 711 P CA -0.310 62.778 63.100 -0.021 0.000 0.795 711 P CB 0.991 32.449 31.700 -0.403 0.000 1.038 712 L N 0.315 121.422 121.223 -0.194 0.000 2.401 712 L HA 0.372 4.609 4.340 -0.170 0.000 0.266 712 L C -0.853 175.877 176.870 -0.234 0.000 0.991 712 L CA -0.773 53.951 54.840 -0.193 0.000 0.818 712 L CB 2.402 44.315 42.059 -0.244 0.000 1.321 712 L HN 0.017 nan 8.230 nan 0.000 0.413 713 V N 4.373 124.192 119.914 -0.159 0.000 2.333 713 V HA 0.351 4.369 4.120 -0.170 0.000 0.274 713 V C -0.475 175.514 176.094 -0.175 0.000 1.028 713 V CA -0.684 61.517 62.300 -0.165 0.000 0.851 713 V CB 1.532 33.324 31.823 -0.052 0.000 1.000 713 V HN 0.438 nan 8.190 nan 0.000 0.456 714 V N 5.872 125.621 119.914 -0.274 0.000 2.334 714 V HA 0.468 4.485 4.120 -0.170 0.000 0.267 714 V C 0.341 176.315 176.094 -0.200 0.000 1.040 714 V CA -0.700 61.420 62.300 -0.300 0.000 0.866 714 V CB 0.392 31.850 31.823 -0.608 0.000 1.019 714 V HN 0.742 nan 8.190 nan 0.000 0.468 715 R N 4.897 125.338 120.500 -0.098 0.000 2.294 715 R HA 0.618 4.856 4.340 -0.170 0.000 0.319 715 R C -2.212 174.081 176.300 -0.011 0.000 0.984 715 R CA -1.001 55.073 56.100 -0.045 0.000 0.861 715 R CB 2.238 32.526 30.300 -0.019 0.000 1.104 715 R HN 0.604 nan 8.270 nan 0.000 0.451 725 M N 1.255 120.848 119.600 -0.011 0.000 2.572 725 M HA 0.700 5.077 4.480 -0.170 0.000 0.299 725 M C -0.599 175.658 176.300 -0.072 0.000 1.205 725 M CA -0.347 54.924 55.300 -0.048 0.000 0.876 725 M CB 2.701 35.280 32.600 -0.034 0.000 1.728 725 M HN 0.933 nan 8.290 nan 0.000 0.458 726 E N 1.696 121.794 120.200 -0.170 0.000 2.392 726 E HA 0.583 4.831 4.350 -0.170 0.000 0.279 726 E C -2.016 174.404 176.600 -0.301 0.000 0.964 726 E CA -0.608 55.673 56.400 -0.200 0.000 0.777 726 E CB 2.106 31.725 29.700 -0.135 0.000 1.249 726 E HN 0.637 nan 8.360 nan 0.000 0.449 727 I N 2.791 123.191 120.570 -0.284 0.000 2.377 727 I HA 0.426 4.494 4.170 -0.170 0.000 0.293 727 I C -0.750 175.204 176.117 -0.271 0.000 0.987 727 I CA -0.984 60.078 61.300 -0.396 0.000 1.185 727 I CB 1.754 39.367 38.000 -0.644 0.000 1.341 727 I HN 0.288 nan 8.210 nan 0.000 0.455 728 V N 6.303 126.055 119.914 -0.270 0.000 2.628 728 V HA 0.251 4.268 4.120 -0.170 0.000 0.306 728 V C -0.437 175.671 176.094 0.023 0.000 1.045 728 V CA -0.328 61.947 62.300 -0.042 0.000 0.905 728 V CB 1.775 33.586 31.823 -0.021 0.000 0.997 728 V HN 0.603 nan 8.190 nan 0.000 0.436 729 Y N 1.120 121.487 120.300 0.110 0.000 2.524 729 Y HA 0.225 4.671 4.550 -0.174 0.000 0.270 729 Y C 0.691 176.640 175.900 0.082 0.000 1.094 729 Y CA -0.300 57.886 58.100 0.143 0.000 1.276 729 Y CB 0.523 39.010 38.460 0.044 0.000 1.130 729 Y HN 0.865 nan 8.280 nan 0.000 0.536 730 D N -2.357 118.055 120.400 0.020 0.000 2.626 730 D HA 0.098 4.635 4.640 -0.170 0.000 0.278 730 D C 0.615 176.650 176.300 -0.442 0.000 1.211 730 D CA -0.710 52.940 54.000 -0.583 0.000 0.903 730 D CB 0.383 40.991 40.800 -0.320 0.000 1.408 730 D HN -0.057 nan 8.370 nan 0.000 0.454 731 E N -0.070 119.800 120.200 -0.550 0.000 2.065 731 E HA -0.313 3.935 4.350 -0.170 0.000 0.201 731 E C 1.888 178.515 176.600 0.044 0.000 1.016 731 E CA 1.841 58.192 56.400 -0.082 0.000 0.818 731 E CB -0.272 29.390 29.700 -0.064 0.000 0.749 731 E HN 0.512 nan 8.360 nan 0.000 0.453 732 A N 1.404 124.217 122.820 -0.012 0.000 1.859 732 A HA -0.298 3.919 4.320 -0.170 0.000 0.218 732 A C 1.964 179.597 177.584 0.082 0.000 1.209 732 A CA 2.312 54.366 52.037 0.028 0.000 0.639 732 A CB -1.112 17.887 19.000 -0.003 0.000 0.835 732 A HN 0.347 nan 8.150 nan 0.000 0.450 733 D N -0.924 119.523 120.400 0.077 0.000 2.149 733 D HA -0.164 4.374 4.640 -0.170 0.000 0.194 733 D C 1.758 178.177 176.300 0.199 0.000 1.001 733 D CA 1.280 55.357 54.000 0.129 0.000 0.849 733 D CB -0.279 40.610 40.800 0.147 0.000 0.939 733 D HN 0.258 nan 8.370 nan 0.000 0.449 734 L N 1.404 122.781 121.223 0.256 0.000 1.956 734 L HA -0.202 4.036 4.340 -0.170 0.000 0.216 734 L C 2.143 179.294 176.870 0.468 0.000 1.073 734 L CA 1.822 56.880 54.840 0.363 0.000 0.762 734 L CB -0.891 41.443 42.059 0.459 0.000 0.889 734 L HN 0.047 nan 8.230 nan 0.000 0.433 735 R N -0.713 120.014 120.500 0.378 0.000 2.122 735 R HA -0.257 3.981 4.340 -0.170 0.000 0.236 735 R C 2.280 178.757 176.300 0.296 0.000 1.129 735 R CA 1.768 58.068 56.100 0.332 0.000 0.925 735 R CB -1.041 29.359 30.300 0.167 0.000 0.850 735 R HN 0.374 nan 8.270 nan 0.000 0.431 736 R N 0.254 120.871 120.500 0.196 0.000 2.165 736 R HA -0.284 3.954 4.340 -0.170 0.000 0.254 736 R C 2.283 178.666 176.300 0.138 0.000 1.153 736 R CA 2.343 58.525 56.100 0.136 0.000 0.971 736 R CB -0.553 29.816 30.300 0.115 0.000 0.878 736 R HN 0.423 nan 8.270 nan 0.000 0.449 737 Y N -0.113 120.218 120.300 0.052 0.000 2.089 737 Y HA -0.264 4.174 4.550 -0.187 0.000 0.282 737 Y C 2.016 177.891 175.900 -0.042 0.000 1.139 737 Y CA 1.971 60.044 58.100 -0.046 0.000 1.123 737 Y CB -0.698 37.657 38.460 -0.177 0.000 0.980 737 Y HN -0.027 nan 8.280 nan 0.000 0.493 738 F N 1.437 121.407 119.950 0.032 0.000 2.106 738 F HA -0.387 4.044 4.527 -0.160 0.000 0.299 738 F C 2.653 178.357 175.800 -0.160 0.000 1.082 738 F CA 2.215 60.176 58.000 -0.066 0.000 1.244 738 F CB -1.103 37.948 39.000 0.085 0.000 0.997 738 F HN 0.297 nan 8.300 nan 0.000 0.486 739 Q N 0.117 119.961 119.800 0.073 0.000 1.803 739 Q HA -0.278 3.959 4.340 -0.170 0.000 0.284 739 Q C 2.420 178.369 176.000 -0.085 0.000 1.004 739 Q CA 3.236 59.044 55.803 0.008 0.000 0.889 739 Q CB -0.611 28.136 28.738 0.014 0.000 0.949 739 Q HN 0.469 nan 8.270 nan 0.000 0.418 740 T N -0.703 113.774 114.554 -0.129 0.000 2.714 740 T HA -0.178 4.069 4.350 -0.170 0.000 0.268 740 T C 0.967 175.513 174.700 -0.256 0.000 1.036 740 T CA 1.023 63.026 62.100 -0.162 0.000 1.148 740 T CB -0.858 67.929 68.868 -0.135 0.000 0.856 740 T HN 0.526 nan 8.240 nan 0.000 0.462 751 L N 5.335 126.578 121.223 0.033 0.000 2.312 751 L HA 0.629 4.866 4.340 -0.170 0.000 0.281 751 L C -0.538 176.332 176.870 -0.001 0.000 1.070 751 L CA -0.164 54.690 54.840 0.024 0.000 0.805 751 L CB 1.256 43.329 42.059 0.023 0.000 1.174 751 L HN 0.416 nan 8.230 nan 0.000 0.434 752 L N 3.040 124.266 121.223 0.006 0.000 2.322 752 L HA 0.538 4.775 4.340 -0.170 0.000 0.281 752 L C -0.943 175.919 176.870 -0.013 0.000 1.014 752 L CA -0.302 54.525 54.840 -0.022 0.000 0.815 752 L CB 1.540 43.593 42.059 -0.010 0.000 1.247 752 L HN 0.522 nan 8.230 nan 0.000 0.421 753 D N -0.272 120.112 120.400 -0.027 0.000 2.879 753 D HA 0.269 4.807 4.640 -0.170 0.000 0.236 753 D C -0.936 175.372 176.300 0.013 0.000 1.171 753 D CA -0.468 53.536 54.000 0.007 0.000 0.868 753 D CB 1.296 42.106 40.800 0.016 0.000 1.598 753 D HN 0.429 nan 8.370 nan 0.000 0.497 754 H N 1.444 120.481 119.070 -0.055 0.000 2.886 754 H HA 0.221 4.676 4.556 -0.168 0.000 0.329 754 H C -0.993 174.314 175.328 -0.036 0.000 1.044 754 H CA -0.096 55.913 56.048 -0.066 0.000 1.456 754 H CB 0.226 29.941 29.762 -0.079 0.000 1.464 754 H HN 0.266 nan 8.280 nan 0.000 0.573 755 F N 6.233 125.724 119.950 -0.764 0.000 2.424 755 F HA 0.238 4.666 4.527 -0.166 0.000 0.356 755 F C -0.778 174.580 175.800 -0.736 0.000 1.110 755 F CA -0.867 56.767 58.000 -0.609 0.000 1.161 755 F CB 0.306 39.028 39.000 -0.464 0.000 1.115 755 F HN 0.547 nan 8.300 nan 0.000 0.507 756 L N 6.350 126.827 121.223 -1.243 0.000 2.462 756 L HA 0.116 4.354 4.340 -0.170 0.000 0.283 756 L C -0.004 176.136 176.870 -1.218 0.000 1.166 756 L CA -0.228 53.996 54.840 -1.027 0.000 0.964 756 L CB -0.596 41.008 42.059 -0.757 0.000 1.294 756 L HN 0.576 nan 8.230 nan 0.000 0.449 757 D N 2.129 122.045 120.400 -0.807 0.000 2.399 757 D HA 0.022 4.560 4.640 -0.170 0.000 0.241 757 D C 0.312 176.495 176.300 -0.195 0.000 1.133 757 D CA 0.180 53.974 54.000 -0.343 0.000 0.890 757 D CB 0.609 41.409 40.800 0.001 0.000 1.201 757 D HN 0.544 nan 8.370 nan 0.000 0.432 758 D N 0.302 120.664 120.400 -0.062 0.000 2.708 758 D HA -0.174 4.363 4.640 -0.170 0.000 0.236 758 D C -0.941 175.316 176.300 -0.073 0.000 1.146 758 D CA 0.890 54.873 54.000 -0.028 0.000 0.662 758 D CB -1.140 39.666 40.800 0.010 0.000 1.059 758 D HN 0.370 nan 8.370 nan 0.000 0.428 759 A N -0.125 122.622 122.820 -0.122 0.000 2.324 759 A HA 0.683 4.901 4.320 -0.170 0.000 0.330 759 A C 0.138 177.685 177.584 -0.061 0.000 1.165 759 A CA -0.645 51.320 52.037 -0.120 0.000 0.813 759 A CB 1.469 20.334 19.000 -0.224 0.000 1.197 759 A HN 0.141 nan 8.150 nan 0.000 0.484 760 V N 2.229 122.115 119.914 -0.047 0.000 2.461 760 V HA 0.202 4.220 4.120 -0.170 0.000 0.275 760 V C 0.530 176.591 176.094 -0.054 0.000 1.047 760 V CA -0.162 62.120 62.300 -0.030 0.000 0.955 760 V CB 1.046 32.842 31.823 -0.046 0.000 0.988 760 V HN 0.982 nan 8.190 nan 0.000 0.471 761 E N 3.515 123.661 120.200 -0.089 0.000 2.266 761 E HA 0.635 4.883 4.350 -0.170 0.000 0.277 761 E C -1.442 174.859 176.600 -0.499 0.000 1.018 761 E CA -0.415 55.816 56.400 -0.281 0.000 0.840 761 E CB 1.848 31.361 29.700 -0.311 0.000 1.082 761 E HN 0.470 nan 8.360 nan 0.000 0.395 762 V N 3.548 123.247 119.914 -0.357 0.000 2.925 762 V HA 0.302 4.319 4.120 -0.170 0.000 0.311 762 V C -0.910 175.163 176.094 -0.035 0.000 1.104 762 V CA -0.887 61.321 62.300 -0.154 0.000 0.954 762 V CB 2.291 34.155 31.823 0.067 0.000 1.022 762 V HN 0.732 nan 8.190 nan 0.000 0.427 763 D N 1.787 122.250 120.400 0.106 0.000 2.375 763 D HA 0.635 5.172 4.640 -0.170 0.000 0.247 763 D C -1.263 175.139 176.300 0.170 0.000 1.061 763 D CA -0.059 54.037 54.000 0.160 0.000 0.834 763 D CB 2.516 43.456 40.800 0.232 0.000 1.247 763 D HN 0.264 nan 8.370 nan 0.000 0.489 764 V N 3.031 123.033 119.914 0.146 0.000 2.483 764 V HA 0.276 4.294 4.120 -0.170 0.000 0.297 764 V C -0.488 175.657 176.094 0.085 0.000 1.027 764 V CA -0.901 61.484 62.300 0.141 0.000 0.855 764 V CB 2.112 34.060 31.823 0.208 0.000 0.995 764 V HN 0.379 nan 8.190 nan 0.000 0.424 765 D N 3.603 124.047 120.400 0.073 0.000 2.217 765 D HA 0.818 5.355 4.640 -0.170 0.000 0.243 765 D C -0.066 176.253 176.300 0.032 0.000 1.054 765 D CA 0.139 54.165 54.000 0.043 0.000 0.838 765 D CB 2.389 43.211 40.800 0.036 0.000 1.162 765 D HN 0.797 nan 8.370 nan 0.000 0.472 766 A N 2.124 124.955 122.820 0.018 0.000 2.569 766 A HA 0.792 5.010 4.320 -0.170 0.000 0.290 766 A C -1.164 176.422 177.584 0.003 0.000 1.136 766 A CA -0.652 51.389 52.037 0.007 0.000 0.710 766 A CB 1.299 20.296 19.000 -0.004 0.000 1.303 766 A HN 0.498 nan 8.150 nan 0.000 0.413 767 I N 0.099 120.669 120.570 0.001 0.000 2.545 767 I HA 0.518 4.586 4.170 -0.170 0.000 0.292 767 I C -0.766 175.346 176.117 -0.009 0.000 1.040 767 I CA -0.554 60.753 61.300 0.012 0.000 1.068 767 I CB 1.829 39.850 38.000 0.036 0.000 1.251 767 I HN 0.675 nan 8.210 nan 0.000 0.424 768 C N 5.230 124.525 119.300 -0.008 0.000 2.482 768 C HA 0.486 4.844 4.460 -0.170 0.000 0.317 768 C C 0.278 175.298 174.990 0.050 0.000 1.197 768 C CA -0.437 58.571 59.018 -0.018 0.000 1.432 768 C CB 1.073 28.738 27.740 -0.125 0.000 2.062 768 C HN 0.931 nan 8.230 nan 0.000 0.471 769 D N 1.873 122.332 120.400 0.097 0.000 2.433 769 D HA 0.295 4.833 4.640 -0.170 0.000 0.211 769 D C 1.393 177.770 176.300 0.128 0.000 1.114 769 D CA 0.719 54.778 54.000 0.098 0.000 0.837 769 D CB 0.192 41.042 40.800 0.082 0.000 0.984 769 D HN 1.402 nan 8.370 nan 0.000 0.505 770 G N 0.770 109.698 108.800 0.212 0.000 2.284 770 G HA2 -0.352 3.506 3.960 -0.170 0.000 0.230 770 G HA3 -0.352 3.506 3.960 -0.170 0.000 0.230 770 G C 1.062 176.107 174.900 0.242 0.000 1.021 770 G CA 0.289 45.541 45.100 0.254 0.000 0.619 770 G HN 0.392 nan 8.290 nan 0.000 0.510 771 E N -0.191 120.126 120.200 0.195 0.000 2.075 771 E HA 0.381 4.629 4.350 -0.170 0.000 0.190 771 E C 1.478 178.191 176.600 0.189 0.000 0.969 771 E CA 1.165 57.625 56.400 0.101 0.000 0.815 771 E CB 0.070 29.815 29.700 0.076 0.000 0.776 771 E HN 0.758 nan 8.360 nan 0.000 0.457 772 M N -1.615 118.170 119.600 0.307 0.000 2.755 772 M HA 0.534 4.911 4.480 -0.170 0.000 0.273 772 M C -1.592 174.858 176.300 0.250 0.000 1.278 772 M CA -0.930 54.579 55.300 0.349 0.000 0.819 772 M CB 2.363 35.066 32.600 0.172 0.000 1.694 772 M HN -0.319 nan 8.290 nan 0.000 0.460 773 V N 2.043 122.048 119.914 0.151 0.000 2.540 773 V HA 0.614 4.632 4.120 -0.170 0.000 0.302 773 V C -1.308 174.794 176.094 0.014 0.000 1.035 773 V CA -0.680 61.608 62.300 -0.020 0.000 0.873 773 V CB 1.774 33.483 31.823 -0.190 0.000 0.992 773 V HN 0.764 nan 8.190 nan 0.000 0.428 774 L N 5.987 127.212 121.223 0.003 0.000 2.298 774 L HA 0.598 4.835 4.340 -0.170 0.000 0.284 774 L C -0.492 176.380 176.870 0.003 0.000 1.013 774 L CA -0.103 54.743 54.840 0.011 0.000 0.824 774 L CB 1.047 43.116 42.059 0.016 0.000 1.221 774 L HN 0.430 nan 8.230 nan 0.000 0.418 775 I N 5.512 126.085 120.570 0.005 0.000 2.505 775 I HA 0.146 4.214 4.170 -0.170 0.000 0.287 775 I C 1.451 177.572 176.117 0.006 0.000 1.104 775 I CA 0.480 61.786 61.300 0.009 0.000 1.387 775 I CB 0.559 38.565 38.000 0.011 0.000 1.404 775 I HN 0.863 nan 8.210 nan 0.000 0.528 776 G N 5.434 114.241 108.800 0.012 0.000 2.396 776 G HA2 0.260 4.117 3.960 -0.170 0.000 0.214 776 G HA3 0.260 4.117 3.960 -0.170 0.000 0.214 776 G C 0.635 175.538 174.900 0.004 0.000 1.166 776 G CA 0.653 45.757 45.100 0.006 0.000 0.793 776 G HN 0.791 nan 8.290 nan 0.000 0.533 777 G N -0.843 107.974 108.800 0.029 0.000 2.691 777 G HA2 0.448 4.306 3.960 -0.170 0.000 0.298 777 G HA3 0.448 4.306 3.960 -0.170 0.000 0.298 777 G C -1.522 173.429 174.900 0.086 0.000 1.471 777 G CA -0.784 44.343 45.100 0.046 0.000 0.912 777 G HN 0.099 nan 8.290 nan 0.000 0.553 778 I N 2.108 122.733 120.570 0.092 0.000 2.359 778 I HA 0.355 4.423 4.170 -0.170 0.000 0.284 778 I C -0.218 175.998 176.117 0.165 0.000 1.018 778 I CA -0.379 60.989 61.300 0.113 0.000 1.173 778 I CB 1.606 39.648 38.000 0.071 0.000 1.326 778 I HN 0.260 nan 8.210 nan 0.000 0.462 779 M N 5.820 125.545 119.600 0.208 0.000 2.205 779 M HA 0.314 4.691 4.480 -0.170 0.000 0.344 779 M C -0.156 176.315 176.300 0.286 0.000 1.085 779 M CA -0.278 55.191 55.300 0.281 0.000 1.001 779 M CB 1.935 34.724 32.600 0.314 0.000 1.626 779 M HN 0.423 nan 8.290 nan 0.000 0.442 780 E N 3.295 123.689 120.200 0.323 0.000 2.156 780 E HA 0.250 4.498 4.350 -0.170 0.000 0.279 780 E C -1.071 175.795 176.600 0.444 0.000 0.965 780 E CA -0.539 56.048 56.400 0.312 0.000 0.789 780 E CB 0.885 30.741 29.700 0.259 0.000 1.098 780 E HN 0.669 nan 8.360 nan 0.000 0.397 781 H N 3.847 123.031 119.070 0.189 0.000 2.732 781 H HA 0.040 4.493 4.556 -0.172 0.000 0.351 781 H C 0.828 176.296 175.328 0.234 0.000 1.090 781 H CA -0.683 55.472 56.048 0.179 0.000 1.431 781 H CB 1.259 31.096 29.762 0.126 0.000 1.447 781 H HN 0.571 nan 8.280 nan 0.000 0.582 782 I N 1.719 122.497 120.570 0.347 0.000 2.193 782 I HA -0.154 3.913 4.170 -0.170 0.000 0.240 782 I C 0.693 176.967 176.117 0.263 0.000 1.084 782 I CA 1.229 62.712 61.300 0.305 0.000 1.365 782 I CB -0.044 38.104 38.000 0.245 0.000 1.064 782 I HN 0.612 nan 8.210 nan 0.000 0.410 783 E N 1.798 122.141 120.200 0.238 0.000 2.354 783 E HA 0.079 4.327 4.350 -0.170 0.000 0.269 783 E C 0.100 176.837 176.600 0.229 0.000 1.036 783 E CA -0.394 56.133 56.400 0.212 0.000 0.876 783 E CB 0.295 30.106 29.700 0.185 0.000 1.009 783 E HN 0.141 nan 8.360 nan 0.000 0.416 784 Q N 1.487 121.397 119.800 0.185 0.000 2.584 784 Q HA 0.196 4.433 4.340 -0.170 0.000 0.218 784 Q C -0.366 175.731 176.000 0.161 0.000 1.079 784 Q CA -0.446 55.446 55.803 0.148 0.000 1.008 784 Q CB 0.354 29.168 28.738 0.128 0.000 1.267 784 Q HN 0.484 nan 8.270 nan 0.000 0.586 785 A N -0.349 122.523 122.820 0.087 0.000 2.520 785 A HA 0.458 4.675 4.320 -0.170 0.000 0.245 785 A C 1.080 178.818 177.584 0.257 0.000 1.072 785 A CA 0.690 52.779 52.037 0.087 0.000 0.761 785 A CB -0.700 18.258 19.000 -0.069 0.000 1.004 785 A HN 1.374 nan 8.150 nan 0.000 0.499 786 G N 0.698 109.679 108.800 0.303 0.000 2.336 786 G HA2 -0.095 3.763 3.960 -0.170 0.000 0.194 786 G HA3 -0.095 3.763 3.960 -0.170 0.000 0.194 786 G C -0.003 175.007 174.900 0.182 0.000 0.999 786 G CA 0.036 45.345 45.100 0.349 0.000 0.669 786 G HN 1.377 nan 8.290 nan 0.000 0.482 787 V N 3.513 123.542 119.914 0.192 0.000 2.294 787 V HA 0.391 4.409 4.120 -0.170 0.000 0.272 787 V C 0.790 176.999 176.094 0.192 0.000 1.027 787 V CA -1.026 61.382 62.300 0.180 0.000 0.823 787 V CB 0.964 32.894 31.823 0.177 0.000 1.030 787 V HN 0.445 nan 8.190 nan 0.000 0.457 788 H N 3.737 122.868 119.070 0.102 0.000 3.198 788 H HA -0.142 4.322 4.556 -0.154 0.000 0.296 788 H C 1.676 177.055 175.328 0.084 0.000 0.935 788 H CA 1.154 57.254 56.048 0.087 0.000 1.365 788 H CB 0.969 30.761 29.762 0.051 0.000 1.267 788 H HN 0.870 nan 8.280 nan 0.000 0.572 789 S N 3.005 118.593 115.700 -0.186 0.000 2.387 789 S HA -0.174 4.194 4.470 -0.170 0.000 0.230 789 S C 2.310 176.936 174.600 0.043 0.000 1.035 789 S CA 0.995 59.197 58.200 0.003 0.000 1.014 789 S CB -0.655 62.591 63.200 0.076 0.000 0.836 789 S HN 0.736 nan 8.310 nan 0.000 0.466 790 G N 1.042 110.107 108.800 0.442 0.000 2.535 790 G HA2 -0.074 3.784 3.960 -0.170 0.000 0.218 790 G HA3 -0.074 3.784 3.960 -0.170 0.000 0.218 790 G C 0.685 175.653 174.900 0.112 0.000 1.122 790 G CA 0.915 46.188 45.100 0.289 0.000 0.769 790 G HN 0.560 nan 8.290 nan 0.000 0.549 791 D N -0.606 119.871 120.400 0.128 0.000 2.469 791 D HA 0.165 4.703 4.640 -0.170 0.000 0.213 791 D C 0.606 176.923 176.300 0.028 0.000 1.135 791 D CA -0.016 54.021 54.000 0.062 0.000 0.834 791 D CB 0.769 41.630 40.800 0.100 0.000 1.009 791 D HN 0.123 nan 8.370 nan 0.000 0.507 792 S N 0.502 116.178 115.700 -0.041 0.000 2.616 792 S HA 0.710 5.078 4.470 -0.170 0.000 0.277 792 S C 0.345 174.868 174.600 -0.129 0.000 1.234 792 S CA -0.827 57.326 58.200 -0.078 0.000 1.028 792 S CB 2.055 65.135 63.200 -0.201 0.000 0.988 792 S HN 0.205 nan 8.310 nan 0.000 0.522 793 A N 0.599 123.408 122.820 -0.019 0.000 2.287 793 A HA 0.710 4.928 4.320 -0.170 0.000 0.273 793 A C 0.281 177.853 177.584 -0.020 0.000 1.091 793 A CA -0.550 51.477 52.037 -0.016 0.000 0.817 793 A CB -0.326 18.765 19.000 0.153 0.000 1.069 793 A HN 1.414 nan 8.150 nan 0.000 0.492 794 C N -1.080 118.201 119.300 -0.031 0.000 3.239 794 C HA 0.826 5.184 4.460 -0.170 0.000 0.329 794 C C -0.377 174.699 174.990 0.143 0.000 1.252 794 C CA -0.530 58.532 59.018 0.074 0.000 1.323 794 C CB 0.851 28.594 27.740 0.006 0.000 1.663 794 C HN 0.995 nan 8.230 nan 0.000 0.487 795 S N 0.751 116.641 115.700 0.317 0.000 2.503 795 S HA 0.841 5.209 4.470 -0.170 0.000 0.301 795 S C -1.243 173.641 174.600 0.474 0.000 1.087 795 S CA -0.524 57.944 58.200 0.447 0.000 1.042 795 S CB 1.191 64.702 63.200 0.518 0.000 1.043 795 S HN 0.929 nan 8.310 nan 0.000 0.489 796 L N 6.187 127.718 121.223 0.514 0.000 2.457 796 L HA 0.548 4.786 4.340 -0.170 0.000 0.266 796 L C -2.512 174.503 176.870 0.242 0.000 0.979 796 L CA -1.990 53.062 54.840 0.355 0.000 0.857 796 L CB 2.233 44.475 42.059 0.306 0.000 1.213 796 L HN 0.480 nan 8.230 nan 0.000 0.418 797 P HA 0.226 nan 4.420 nan 0.000 0.277 797 P C -0.694 176.819 177.300 0.355 0.000 1.271 797 P CA -0.443 62.743 63.100 0.144 0.000 0.795 797 P CB 0.654 32.344 31.700 -0.017 0.000 1.101 798 A N 0.777 123.755 122.820 0.263 0.000 2.555 798 A HA 0.024 4.242 4.320 -0.170 0.000 0.233 798 A C 0.412 178.205 177.584 0.349 0.000 1.060 798 A CA 0.334 52.540 52.037 0.282 0.000 0.759 798 A CB -0.999 18.070 19.000 0.114 0.000 0.995 798 A HN 0.778 nan 8.150 nan 0.000 0.506 799 Y N -0.098 120.223 120.300 0.035 0.000 2.531 799 Y HA 0.366 4.813 4.550 -0.171 0.000 0.249 799 Y C 1.137 176.903 175.900 -0.222 0.000 1.168 799 Y CA 0.436 58.457 58.100 -0.131 0.000 1.226 799 Y CB 0.241 38.320 38.460 -0.634 0.000 1.177 799 Y HN 0.662 nan 8.280 nan 0.000 0.527 800 T N -2.850 111.285 114.554 -0.699 0.000 3.154 800 T HA 0.276 4.524 4.350 -0.170 0.000 0.258 800 T C 0.257 174.766 174.700 -0.317 0.000 0.899 800 T CA -0.215 61.523 62.100 -0.603 0.000 0.908 800 T CB -0.498 67.909 68.868 -0.768 0.000 1.260 800 T HN 0.150 nan 8.240 nan 0.000 0.521 801 L N 3.927 125.002 121.223 -0.246 0.000 2.483 801 L HA 0.403 4.641 4.340 -0.170 0.000 0.275 801 L C 1.003 177.810 176.870 -0.106 0.000 1.220 801 L CA -0.338 54.413 54.840 -0.148 0.000 0.833 801 L CB 0.674 42.671 42.059 -0.104 0.000 1.102 801 L HN 0.528 nan 8.230 nan 0.000 0.490 802 S N 1.155 116.798 115.700 -0.095 0.000 2.601 802 S HA 0.073 4.441 4.470 -0.170 0.000 0.271 802 S C 0.504 175.064 174.600 -0.066 0.000 1.305 802 S CA -0.634 57.520 58.200 -0.075 0.000 1.022 802 S CB 1.790 64.946 63.200 -0.074 0.000 0.940 802 S HN 0.635 nan 8.310 nan 0.000 0.525 803 Q N 0.950 120.718 119.800 -0.053 0.000 2.084 803 Q HA -0.146 4.091 4.340 -0.170 0.000 0.202 803 Q C 2.042 178.008 176.000 -0.058 0.000 0.978 803 Q CA 2.221 57.995 55.803 -0.049 0.000 0.844 803 Q CB -0.430 28.284 28.738 -0.039 0.000 0.898 803 Q HN 0.956 nan 8.270 nan 0.000 0.426 804 E N -0.227 119.938 120.200 -0.058 0.000 2.070 804 E HA -0.232 4.016 4.350 -0.170 0.000 0.197 804 E C 1.945 178.496 176.600 -0.082 0.000 1.004 804 E CA 1.480 57.842 56.400 -0.063 0.000 0.805 804 E CB -0.325 29.340 29.700 -0.057 0.000 0.744 804 E HN 0.527 nan 8.360 nan 0.000 0.451 805 I N 0.579 121.094 120.570 -0.091 0.000 2.315 805 I HA -0.280 3.787 4.170 -0.170 0.000 0.248 805 I C 2.419 178.445 176.117 -0.152 0.000 1.117 805 I CA 1.367 62.595 61.300 -0.120 0.000 1.404 805 I CB -0.206 37.727 38.000 -0.112 0.000 1.071 805 I HN 0.338 nan 8.210 nan 0.000 0.419 806 Q N 0.189 119.916 119.800 -0.121 0.000 2.084 806 Q HA -0.238 4.000 4.340 -0.170 0.000 0.202 806 Q C 1.757 177.679 176.000 -0.130 0.000 0.978 806 Q CA 1.619 57.346 55.803 -0.125 0.000 0.844 806 Q CB -0.136 28.559 28.738 -0.073 0.000 0.898 806 Q HN 0.473 nan 8.270 nan 0.000 0.426 807 D N 0.127 120.469 120.400 -0.097 0.000 2.172 807 D HA -0.156 4.382 4.640 -0.170 0.000 0.196 807 D C 1.945 178.187 176.300 -0.096 0.000 0.999 807 D CA 1.168 55.121 54.000 -0.078 0.000 0.856 807 D CB -0.053 40.713 40.800 -0.058 0.000 0.934 807 D HN 0.099 nan 8.370 nan 0.000 0.453 808 V N 0.968 120.801 119.914 -0.135 0.000 2.358 808 V HA -0.212 3.806 4.120 -0.170 0.000 0.246 808 V C 2.578 178.536 176.094 -0.227 0.000 1.047 808 V CA 1.196 63.403 62.300 -0.154 0.000 1.035 808 V CB -0.382 31.338 31.823 -0.171 0.000 0.658 808 V HN 0.197 nan 8.190 nan 0.000 0.452 809 M N -0.716 118.650 119.600 -0.390 0.000 2.159 809 M HA -0.172 4.206 4.480 -0.170 0.000 0.263 809 M C 2.495 178.671 176.300 -0.206 0.000 1.063 809 M CA 1.766 56.653 55.300 -0.689 0.000 1.110 809 M CB -0.507 31.565 32.600 -0.879 0.000 1.374 809 M HN 0.226 nan 8.290 nan 0.000 0.411 810 R N 0.100 120.529 120.500 -0.119 0.000 2.083 810 R HA -0.212 4.026 4.340 -0.170 0.000 0.237 810 R C 2.276 178.580 176.300 0.008 0.000 1.137 810 R CA 1.907 57.994 56.100 -0.021 0.000 0.951 810 R CB -0.513 29.771 30.300 -0.028 0.000 0.851 810 R HN 0.495 nan 8.270 nan 0.000 0.434 811 Q N 0.867 120.660 119.800 -0.012 0.000 2.084 811 Q HA -0.234 4.004 4.340 -0.170 0.000 0.202 811 Q C 2.019 178.051 176.000 0.052 0.000 0.978 811 Q CA 1.566 57.380 55.803 0.018 0.000 0.844 811 Q CB 0.055 28.792 28.738 -0.002 0.000 0.898 811 Q HN 0.388 nan 8.270 nan 0.000 0.426 812 Q N -0.449 119.387 119.800 0.062 0.000 2.096 812 Q HA -0.161 4.077 4.340 -0.170 0.000 0.204 812 Q C 2.160 178.275 176.000 0.192 0.000 0.982 812 Q CA 1.902 57.798 55.803 0.155 0.000 0.850 812 Q CB 0.082 28.965 28.738 0.242 0.000 0.901 812 Q HN 0.300 nan 8.270 nan 0.000 0.422 813 V N 0.584 120.625 119.914 0.212 0.000 2.261 813 V HA -0.329 3.689 4.120 -0.170 0.000 0.246 813 V C 2.294 178.385 176.094 -0.004 0.000 1.047 813 V CA 2.216 64.594 62.300 0.130 0.000 1.015 813 V CB -0.753 31.153 31.823 0.139 0.000 0.642 813 V HN 0.452 nan 8.190 nan 0.000 0.446 814 Q N 0.207 119.991 119.800 -0.026 0.000 2.062 814 Q HA -0.331 3.906 4.340 -0.170 0.000 0.209 814 Q C 2.315 178.257 176.000 -0.096 0.000 0.996 814 Q CA 2.454 58.176 55.803 -0.135 0.000 0.859 814 Q CB -0.178 28.573 28.738 0.021 0.000 0.920 814 Q HN 0.578 nan 8.270 nan 0.000 0.415 815 K N -0.141 120.301 120.400 0.070 0.000 2.059 815 K HA -0.193 4.025 4.320 -0.170 0.000 0.212 815 K C 2.082 178.736 176.600 0.089 0.000 1.050 815 K CA 1.849 58.212 56.287 0.126 0.000 0.927 815 K CB -0.184 32.377 32.500 0.102 0.000 0.714 815 K HN 0.250 nan 8.250 nan 0.000 0.447 816 L N -0.243 121.006 121.223 0.043 0.000 2.072 816 L HA -0.129 4.109 4.340 -0.170 0.000 0.205 816 L C 2.473 179.336 176.870 -0.011 0.000 1.079 816 L CA 1.070 55.935 54.840 0.043 0.000 0.752 816 L CB -0.485 41.607 42.059 0.055 0.000 0.906 816 L HN 0.208 nan 8.230 nan 0.000 0.436 817 A N -0.004 122.735 122.820 -0.136 0.000 1.908 817 A HA -0.215 4.003 4.320 -0.170 0.000 0.218 817 A C 2.004 179.466 177.584 -0.203 0.000 1.181 817 A CA 1.761 53.653 52.037 -0.241 0.000 0.627 817 A CB -0.701 18.027 19.000 -0.453 0.000 0.818 817 A HN 0.313 nan 8.150 nan 0.000 0.445 818 F N -0.481 119.496 119.950 0.045 0.000 2.149 818 F HA 0.037 4.462 4.527 -0.169 0.000 0.294 818 F C 2.300 178.122 175.800 0.037 0.000 1.095 818 F CA 1.208 59.230 58.000 0.036 0.000 1.276 818 F CB -0.881 38.138 39.000 0.031 0.000 1.023 818 F HN 0.287 nan 8.300 nan 0.000 0.480 819 E N 1.008 121.333 120.200 0.210 0.000 2.085 819 E HA -0.187 4.061 4.350 -0.170 0.000 0.194 819 E C 1.949 178.615 176.600 0.110 0.000 0.994 819 E CA 1.531 58.015 56.400 0.140 0.000 0.801 819 E CB -0.591 29.175 29.700 0.110 0.000 0.743 819 E HN 0.426 nan 8.360 nan 0.000 0.453 820 L N -0.042 121.237 121.223 0.093 0.000 2.395 820 L HA 0.014 4.251 4.340 -0.170 0.000 0.218 820 L C 0.323 177.234 176.870 0.068 0.000 1.130 820 L CA 0.472 55.357 54.840 0.076 0.000 0.826 820 L CB -0.156 41.941 42.059 0.062 0.000 0.941 820 L HN 0.153 nan 8.230 nan 0.000 0.451 821 Q N -0.366 119.487 119.800 0.088 0.000 2.451 821 Q HA -0.131 4.107 4.340 -0.170 0.000 0.292 821 Q C -0.559 175.481 176.000 0.066 0.000 1.390 821 Q CA 0.169 56.028 55.803 0.094 0.000 0.753 821 Q CB -2.201 26.581 28.738 0.075 0.000 1.128 821 Q HN 0.207 nan 8.270 nan 0.000 0.402 822 V N 1.790 121.731 119.914 0.046 0.000 2.555 822 V HA 0.202 4.220 4.120 -0.170 0.000 0.286 822 V C 0.957 177.073 176.094 0.037 0.000 1.044 822 V CA 0.312 62.625 62.300 0.022 0.000 1.026 822 V CB 1.065 32.878 31.823 -0.017 0.000 0.981 822 V HN 0.203 nan 8.190 nan 0.000 0.480 823 R N 4.145 124.668 120.500 0.039 0.000 2.513 823 R HA 0.608 4.846 4.340 -0.170 0.000 0.283 823 R C 0.322 176.650 176.300 0.046 0.000 1.535 823 R CA 0.351 56.477 56.100 0.044 0.000 1.315 823 R CB 1.192 31.515 30.300 0.039 0.000 1.163 823 R HN 1.070 nan 8.270 nan 0.000 0.573 824 G N 1.152 109.986 108.800 0.057 0.000 2.250 824 G HA2 -0.136 3.722 3.960 -0.170 0.000 0.196 824 G HA3 -0.136 3.722 3.960 -0.170 0.000 0.196 824 G C -1.093 173.863 174.900 0.092 0.000 1.308 824 G CA -0.997 44.157 45.100 0.091 0.000 1.207 824 G HN 0.264 nan 8.290 nan 0.000 0.505 825 L N 1.612 122.918 121.223 0.139 0.000 2.436 825 L HA 0.768 5.006 4.340 -0.170 0.000 0.265 825 L C 0.965 177.870 176.870 0.058 0.000 1.168 825 L CA -0.087 54.806 54.840 0.089 0.000 0.815 825 L CB 1.146 43.249 42.059 0.073 0.000 1.109 825 L HN 0.917 nan 8.230 nan 0.000 0.462 826 M N 1.305 120.921 119.600 0.026 0.000 2.644 826 M HA 0.481 4.858 4.480 -0.170 0.000 0.273 826 M C -1.821 174.480 176.300 0.001 0.000 1.253 826 M CA -0.792 54.514 55.300 0.009 0.000 0.852 826 M CB 2.461 35.054 32.600 -0.011 0.000 1.708 826 M HN 0.515 nan 8.290 nan 0.000 0.471 827 N N 1.145 119.837 118.700 -0.013 0.000 2.287 827 N HA 0.677 5.314 4.740 -0.170 0.000 0.289 827 N C -2.419 173.054 175.510 -0.062 0.000 1.066 827 N CA -0.282 52.759 53.050 -0.016 0.000 0.841 827 N CB 3.043 41.532 38.487 0.003 0.000 1.599 827 N HN 0.648 nan 8.380 nan 0.000 0.476 828 V N 2.524 122.392 119.914 -0.076 0.000 2.656 828 V HA 0.410 4.427 4.120 -0.170 0.000 0.307 828 V C -0.695 175.254 176.094 -0.242 0.000 1.051 828 V CA -0.693 61.480 62.300 -0.213 0.000 0.893 828 V CB 1.883 33.533 31.823 -0.288 0.000 0.999 828 V HN 0.621 nan 8.190 nan 0.000 0.426 829 Q N 3.657 123.266 119.800 -0.319 0.000 2.331 829 Q HA 0.688 4.926 4.340 -0.170 0.000 0.267 829 Q C -1.560 174.255 176.000 -0.308 0.000 1.006 829 Q CA -0.264 55.408 55.803 -0.218 0.000 0.818 829 Q CB 2.380 31.049 28.738 -0.115 0.000 1.276 829 Q HN 0.626 nan 8.270 nan 0.000 0.450 830 F N 0.531 120.465 119.950 -0.026 0.000 2.613 830 F HA 0.838 5.264 4.527 -0.169 0.000 0.342 830 F C -0.137 175.640 175.800 -0.038 0.000 1.066 830 F CA -1.132 56.865 58.000 -0.005 0.000 1.002 830 F CB 1.669 40.668 39.000 -0.002 0.000 1.319 830 F HN 0.500 nan 8.300 nan 0.000 0.495 831 A N 0.728 123.703 122.820 0.257 0.000 2.429 831 A HA 0.672 4.889 4.320 -0.170 0.000 0.289 831 A C -1.856 175.833 177.584 0.175 0.000 1.043 831 A CA -0.585 51.518 52.037 0.111 0.000 0.722 831 A CB 0.947 19.944 19.000 -0.006 0.000 1.243 831 A HN 0.462 nan 8.150 nan 0.000 0.415 832 V N 3.116 123.077 119.914 0.078 0.000 2.348 832 V HA 0.410 4.428 4.120 -0.170 0.000 0.270 832 V C 0.238 176.368 176.094 0.060 0.000 1.037 832 V CA -0.170 62.177 62.300 0.079 0.000 0.872 832 V CB 1.041 32.860 31.823 -0.006 0.000 1.002 832 V HN 0.778 nan 8.190 nan 0.000 0.464 833 K N 4.205 124.704 120.400 0.165 0.000 2.502 833 K HA 0.400 4.618 4.320 -0.170 0.000 0.254 833 K C -0.023 176.657 176.600 0.133 0.000 0.947 833 K CA -0.583 55.761 56.287 0.094 0.000 0.834 833 K CB 0.640 33.116 32.500 -0.040 0.000 1.112 833 K HN 0.822 nan 8.250 nan 0.000 0.427 834 N N 3.656 122.383 118.700 0.045 0.000 2.727 834 N HA -0.267 4.370 4.740 -0.170 0.000 0.251 834 N C -0.491 175.030 175.510 0.020 0.000 1.040 834 N CA 0.765 53.833 53.050 0.029 0.000 0.712 834 N CB -1.219 37.294 38.487 0.045 0.000 0.912 834 N HN 0.962 nan 8.380 nan 0.000 0.545 835 N N -1.022 117.677 118.700 -0.002 0.000 2.714 835 N HA -0.235 4.402 4.740 -0.170 0.000 0.250 835 N C -1.300 174.188 175.510 -0.037 0.000 1.117 835 N CA 1.155 54.188 53.050 -0.028 0.000 0.719 835 N CB -0.151 38.313 38.487 -0.038 0.000 1.081 835 N HN 0.562 nan 8.380 nan 0.000 0.557 836 E N 0.279 120.477 120.200 -0.002 0.000 2.222 836 E HA 0.348 4.595 4.350 -0.170 0.000 0.267 836 E C -0.594 175.967 176.600 -0.065 0.000 0.884 836 E CA -0.705 55.649 56.400 -0.076 0.000 0.764 836 E CB 2.548 32.202 29.700 -0.077 0.000 1.169 836 E HN -0.031 nan 8.360 nan 0.000 0.413 837 V N 3.960 123.754 119.914 -0.200 0.000 2.350 837 V HA 0.269 4.287 4.120 -0.170 0.000 0.276 837 V C -0.900 175.102 176.094 -0.154 0.000 1.028 837 V CA -0.501 61.737 62.300 -0.103 0.000 0.860 837 V CB -0.008 31.712 31.823 -0.172 0.000 0.990 837 V HN 0.530 nan 8.190 nan 0.000 0.453 838 Y N 4.173 124.537 120.300 0.108 0.000 2.387 838 Y HA 0.571 5.019 4.550 -0.169 0.000 0.336 838 Y C -0.070 175.950 175.900 0.201 0.000 1.067 838 Y CA -0.996 57.172 58.100 0.113 0.000 1.114 838 Y CB 1.756 40.242 38.460 0.043 0.000 1.208 838 Y HN 0.422 nan 8.280 nan 0.000 0.458 839 L N 4.218 125.604 121.223 0.272 0.000 2.281 839 L HA 0.338 4.576 4.340 -0.170 0.000 0.285 839 L C 0.154 177.099 176.870 0.124 0.000 1.074 839 L CA 0.485 55.406 54.840 0.135 0.000 0.817 839 L CB 0.327 42.447 42.059 0.100 0.000 1.168 839 L HN 0.791 nan 8.230 nan 0.000 0.434 840 I N 2.898 123.484 120.570 0.028 0.000 2.927 840 I HA 0.127 4.195 4.170 -0.170 0.000 0.268 840 I C 0.146 176.270 176.117 0.012 0.000 1.153 840 I CA 0.264 61.581 61.300 0.029 0.000 1.459 840 I CB 0.380 38.369 38.000 -0.018 0.000 1.149 840 I HN 0.774 nan 8.210 nan 0.000 0.443 841 E N -0.466 119.692 120.200 -0.071 0.000 2.374 841 E HA 0.277 4.525 4.350 -0.170 0.000 0.281 841 E C -1.761 174.675 176.600 -0.273 0.000 1.170 841 E CA -0.743 55.526 56.400 -0.218 0.000 0.919 841 E CB 1.307 30.869 29.700 -0.229 0.000 1.218 841 E HN -0.212 nan 8.360 nan 0.000 0.425 842 V N 2.018 121.677 119.914 -0.426 0.000 2.531 842 V HA 0.506 4.524 4.120 -0.170 0.000 0.301 842 V C -0.817 175.129 176.094 -0.246 0.000 1.034 842 V CA -0.949 61.183 62.300 -0.281 0.000 0.865 842 V CB 1.727 33.439 31.823 -0.186 0.000 0.995 842 V HN 0.643 nan 8.190 nan 0.000 0.424 843 N N 5.765 124.382 118.700 -0.138 0.000 2.564 843 N HA 0.325 4.963 4.740 -0.170 0.000 0.248 843 N C -2.628 172.858 175.510 -0.040 0.000 0.986 843 N CA -1.278 51.723 53.050 -0.081 0.000 0.921 843 N CB 2.376 40.842 38.487 -0.035 0.000 1.136 843 N HN 0.374 nan 8.380 nan 0.000 0.509 844 P HA 0.064 nan 4.420 nan 0.000 0.246 844 P C -0.412 176.906 177.300 0.030 0.000 1.686 844 P CA 0.337 63.434 63.100 -0.006 0.000 0.867 844 P CB -0.064 31.630 31.700 -0.010 0.000 1.733 845 R N -1.821 118.707 120.500 0.046 0.000 2.909 845 R HA 0.773 5.011 4.340 -0.170 0.000 0.262 845 R C -0.945 175.412 176.300 0.096 0.000 1.095 845 R CA -1.226 54.932 56.100 0.098 0.000 0.965 845 R CB 0.124 30.485 30.300 0.102 0.000 1.300 845 R HN -0.180 nan 8.270 nan 0.000 0.442 846 A N 0.488 123.381 122.820 0.123 0.000 2.409 846 A HA 0.635 4.853 4.320 -0.170 0.000 0.267 846 A C -0.118 177.528 177.584 0.102 0.000 1.127 846 A CA 0.091 52.130 52.037 0.003 0.000 0.795 846 A CB -0.061 18.806 19.000 -0.221 0.000 1.061 846 A HN 0.743 nan 8.150 nan 0.000 0.502 847 A N 2.332 125.157 122.820 0.008 0.000 2.320 847 A HA 0.595 4.813 4.320 -0.170 0.000 0.334 847 A C 1.196 178.647 177.584 -0.223 0.000 1.147 847 A CA -0.452 51.597 52.037 0.019 0.000 0.820 847 A CB 0.492 19.509 19.000 0.028 0.000 1.218 847 A HN 1.093 nan 8.150 nan 0.000 0.482 848 R N 0.124 120.435 120.500 -0.316 0.000 2.397 848 R HA -0.120 4.118 4.340 -0.170 0.000 0.213 848 R C 0.700 176.839 176.300 -0.269 0.000 1.102 848 R CA 2.022 57.813 56.100 -0.516 0.000 1.040 848 R CB -0.923 29.149 30.300 -0.380 0.000 0.844 848 R HN 0.662 nan 8.270 nan 0.000 0.478 849 T N -1.692 112.782 114.554 -0.134 0.000 3.009 849 T HA 0.074 4.322 4.350 -0.170 0.000 0.258 849 T C 1.980 176.673 174.700 -0.013 0.000 1.063 849 T CA 0.521 62.605 62.100 -0.025 0.000 1.139 849 T CB -0.209 68.693 68.868 0.056 0.000 0.890 849 T HN 0.042 nan 8.240 nan 0.000 0.471 850 V N 3.081 122.941 119.914 -0.090 0.000 2.277 850 V HA -0.195 3.823 4.120 -0.170 0.000 0.255 850 V C -0.191 175.821 176.094 -0.136 0.000 1.074 850 V CA 2.226 64.469 62.300 -0.094 0.000 1.058 850 V CB -1.869 29.875 31.823 -0.131 0.000 0.656 850 V HN 0.393 nan 8.190 nan 0.000 0.449 851 P HA -0.174 nan 4.420 nan 0.000 0.217 851 P C 1.712 178.844 177.300 -0.279 0.000 1.150 851 P CA 1.560 64.299 63.100 -0.602 0.000 0.832 851 P CB -0.157 30.851 31.700 -1.154 0.000 0.787 852 F N 0.352 120.159 119.950 -0.240 0.000 2.113 852 F HA -0.168 4.259 4.527 -0.168 0.000 0.297 852 F C 1.965 177.740 175.800 -0.041 0.000 1.103 852 F CA 1.293 59.221 58.000 -0.119 0.000 1.248 852 F CB -0.777 38.170 39.000 -0.089 0.000 0.999 852 F HN -0.329 nan 8.300 nan 0.000 0.475 853 V N 0.054 119.868 119.914 -0.166 0.000 2.295 853 V HA -0.311 3.707 4.120 -0.170 0.000 0.246 853 V C 2.485 178.465 176.094 -0.189 0.000 1.049 853 V CA 2.165 64.333 62.300 -0.220 0.000 1.024 853 V CB -1.108 30.700 31.823 -0.025 0.000 0.648 853 V HN 0.405 nan 8.190 nan 0.000 0.447 854 S N -0.644 115.001 115.700 -0.091 0.000 2.387 854 S HA -0.275 4.093 4.470 -0.170 0.000 0.230 854 S C 2.038 176.647 174.600 0.015 0.000 1.035 854 S CA 1.851 60.050 58.200 -0.002 0.000 1.014 854 S CB -0.297 62.975 63.200 0.120 0.000 0.836 854 S HN 0.432 nan 8.310 nan 0.000 0.466 855 K N 1.387 121.765 120.400 -0.035 0.000 2.076 855 K HA 0.286 4.504 4.320 -0.170 0.000 0.204 855 K C 2.128 178.770 176.600 0.070 0.000 1.051 855 K CA 0.989 57.306 56.287 0.050 0.000 0.949 855 K CB -0.639 31.841 32.500 -0.035 0.000 0.726 855 K HN 0.260 nan 8.250 nan 0.000 0.443 856 A N 0.018 122.725 122.820 -0.187 0.000 1.898 856 A HA -0.140 4.078 4.320 -0.170 0.000 0.216 856 A C 2.164 179.761 177.584 0.023 0.000 1.181 856 A CA 2.295 54.280 52.037 -0.086 0.000 0.620 856 A CB -1.086 17.677 19.000 -0.397 0.000 0.819 856 A HN 0.481 nan 8.150 nan 0.000 0.442 857 T N -4.785 109.698 114.554 -0.119 0.000 3.043 857 T HA 0.369 4.616 4.350 -0.170 0.000 0.263 857 T C 1.570 176.083 174.700 -0.311 0.000 1.094 857 T CA 1.238 63.237 62.100 -0.169 0.000 1.127 857 T CB 0.048 68.830 68.868 -0.142 0.000 0.905 857 T HN 1.712 nan 8.240 nan 0.000 0.490 858 G N 0.608 109.129 108.800 -0.465 0.000 2.199 858 G HA2 -0.230 3.628 3.960 -0.170 0.000 0.254 858 G HA3 -0.230 3.628 3.960 -0.170 0.000 0.254 858 G C 0.080 174.815 174.900 -0.275 0.000 0.982 858 G CA -0.004 44.569 45.100 -0.877 0.000 0.632 858 G HN 0.764 nan 8.290 nan 0.000 0.529 859 V N 2.462 122.284 119.914 -0.153 0.000 2.385 859 V HA 0.430 4.448 4.120 -0.170 0.000 0.269 859 V C -1.597 174.505 176.094 0.013 0.000 1.043 859 V CA -1.230 61.034 62.300 -0.060 0.000 0.906 859 V CB 1.490 33.281 31.823 -0.053 0.000 0.995 859 V HN 0.139 nan 8.190 nan 0.000 0.467 860 P HA 0.199 nan 4.420 nan 0.000 0.230 860 P C 1.194 178.567 177.300 0.122 0.000 1.791 860 P CA -0.069 63.098 63.100 0.113 0.000 1.020 860 P CB 0.134 31.840 31.700 0.011 0.000 1.977 861 L N 0.576 121.864 121.223 0.108 0.000 2.123 861 L HA -0.319 3.919 4.340 -0.170 0.000 0.217 861 L C 2.349 179.285 176.870 0.109 0.000 1.081 861 L CA 2.105 56.994 54.840 0.081 0.000 0.772 861 L CB -1.077 41.009 42.059 0.045 0.000 0.890 861 L HN 0.195 nan 8.230 nan 0.000 0.437 862 A N -0.033 122.883 122.820 0.161 0.000 1.898 862 A HA -0.185 4.032 4.320 -0.170 0.000 0.216 862 A C 2.332 180.093 177.584 0.295 0.000 1.181 862 A CA 1.584 53.720 52.037 0.165 0.000 0.620 862 A CB -0.266 18.821 19.000 0.144 0.000 0.819 862 A HN 0.358 nan 8.150 nan 0.000 0.442 863 K N -0.259 120.264 120.400 0.205 0.000 2.025 863 K HA -0.067 4.150 4.320 -0.170 0.000 0.207 863 K C 1.885 178.549 176.600 0.107 0.000 1.049 863 K CA 1.467 57.825 56.287 0.118 0.000 0.933 863 K CB -0.447 32.052 32.500 -0.002 0.000 0.714 863 K HN 0.317 nan 8.250 nan 0.000 0.438 864 V N 1.634 121.604 119.914 0.094 0.000 2.255 864 V HA -0.273 3.745 4.120 -0.170 0.000 0.247 864 V C 2.430 178.584 176.094 0.099 0.000 1.051 864 V CA 2.142 64.489 62.300 0.078 0.000 1.018 864 V CB -0.931 30.928 31.823 0.061 0.000 0.641 864 V HN 0.364 nan 8.190 nan 0.000 0.445 865 A N -0.007 122.899 122.820 0.143 0.000 1.972 865 A HA -0.058 4.160 4.320 -0.170 0.000 0.219 865 A C 2.412 180.093 177.584 0.163 0.000 1.169 865 A CA 2.035 54.175 52.037 0.172 0.000 0.635 865 A CB -0.732 18.407 19.000 0.232 0.000 0.810 865 A HN 0.594 nan 8.150 nan 0.000 0.446 866 A N 0.116 123.048 122.820 0.186 0.000 1.877 866 A HA -0.165 4.053 4.320 -0.170 0.000 0.216 866 A C 2.213 179.792 177.584 -0.008 0.000 1.186 866 A CA 1.517 53.570 52.037 0.028 0.000 0.620 866 A CB -0.490 18.539 19.000 0.048 0.000 0.822 866 A HN 0.552 nan 8.150 nan 0.000 0.443 867 R N -0.617 119.908 120.500 0.041 0.000 2.105 867 R HA -0.111 4.127 4.340 -0.170 0.000 0.239 867 R C 1.968 178.292 176.300 0.039 0.000 1.135 867 R CA 1.486 57.614 56.100 0.047 0.000 0.967 867 R CB -0.662 29.677 30.300 0.065 0.000 0.861 867 R HN 0.394 nan 8.270 nan 0.000 0.442 868 V N 1.089 121.028 119.914 0.043 0.000 2.343 868 V HA -0.257 3.760 4.120 -0.170 0.000 0.247 868 V C 2.296 178.402 176.094 0.019 0.000 1.051 868 V CA 1.752 64.077 62.300 0.041 0.000 1.036 868 V CB -0.362 31.494 31.823 0.054 0.000 0.654 868 V HN 0.332 nan 8.190 nan 0.000 0.451 869 M N -0.346 119.250 119.600 -0.008 0.000 2.213 869 M HA -0.112 4.266 4.480 -0.170 0.000 0.263 869 M C 2.054 178.312 176.300 -0.070 0.000 1.062 869 M CA 1.850 57.122 55.300 -0.046 0.000 1.105 869 M CB -0.311 32.230 32.600 -0.098 0.000 1.385 869 M HN 0.395 nan 8.290 nan 0.000 0.417 870 A N -0.827 121.943 122.820 -0.083 0.000 2.169 870 A HA 0.337 4.555 4.320 -0.170 0.000 0.212 870 A C 1.472 179.067 177.584 0.019 0.000 1.153 870 A CA 0.932 52.904 52.037 -0.108 0.000 0.756 870 A CB -0.375 18.476 19.000 -0.248 0.000 0.813 870 A HN 0.615 nan 8.150 nan 0.000 0.471 871 G N -0.995 107.825 108.800 0.034 0.000 2.145 871 G HA2 -0.150 3.708 3.960 -0.170 0.000 0.145 871 G HA3 -0.150 3.708 3.960 -0.170 0.000 0.145 871 G C -0.006 174.932 174.900 0.063 0.000 1.017 871 G CA 0.160 45.292 45.100 0.054 0.000 0.682 871 G HN 0.533 nan 8.290 nan 0.000 0.504 872 K N 1.785 122.223 120.400 0.063 0.000 2.484 872 K HA 0.538 4.756 4.320 -0.170 0.000 0.226 872 K C 1.172 177.802 176.600 0.050 0.000 1.031 872 K CA 0.195 56.518 56.287 0.059 0.000 1.026 872 K CB 0.335 32.877 32.500 0.070 0.000 1.412 872 K HN 0.615 nan 8.250 nan 0.000 0.492 873 S N 2.660 118.387 115.700 0.046 0.000 2.525 873 S HA -0.120 4.248 4.470 -0.170 0.000 0.282 873 S C 1.335 175.962 174.600 0.044 0.000 1.324 873 S CA -0.057 58.171 58.200 0.046 0.000 1.025 873 S CB 0.398 63.623 63.200 0.042 0.000 0.820 873 S HN 0.641 nan 8.310 nan 0.000 0.514 874 L N 2.260 123.512 121.223 0.048 0.000 2.056 874 L HA -0.039 4.199 4.340 -0.170 0.000 0.207 874 L C 3.022 179.913 176.870 0.035 0.000 1.078 874 L CA 1.701 56.566 54.840 0.042 0.000 0.749 874 L CB -1.110 40.977 42.059 0.047 0.000 0.901 874 L HN 0.968 nan 8.230 nan 0.000 0.433 875 A N -0.115 122.727 122.820 0.036 0.000 1.865 875 A HA -0.278 3.939 4.320 -0.170 0.000 0.217 875 A C 2.155 179.753 177.584 0.023 0.000 1.191 875 A CA 2.018 54.072 52.037 0.028 0.000 0.623 875 A CB -0.596 18.421 19.000 0.028 0.000 0.826 875 A HN 0.452 nan 8.150 nan 0.000 0.444 876 E N -0.466 119.749 120.200 0.026 0.000 2.160 876 E HA -0.221 4.026 4.350 -0.170 0.000 0.195 876 E C 2.239 178.852 176.600 0.022 0.000 0.991 876 E CA 1.418 57.832 56.400 0.023 0.000 0.810 876 E CB -0.135 29.581 29.700 0.027 0.000 0.742 876 E HN 0.751 nan 8.360 nan 0.000 0.466 877 Q N -1.103 118.713 119.800 0.025 0.000 2.269 877 Q HA 0.036 4.274 4.340 -0.170 0.000 0.201 877 Q C 1.114 177.124 176.000 0.016 0.000 0.946 877 Q CA 0.676 56.492 55.803 0.023 0.000 0.877 877 Q CB 0.647 29.402 28.738 0.028 0.000 0.963 877 Q HN 0.376 nan 8.270 nan 0.000 0.472 878 G N 0.742 109.552 108.800 0.015 0.000 2.142 878 G HA2 -0.197 3.660 3.960 -0.170 0.000 0.225 878 G HA3 -0.197 3.660 3.960 -0.170 0.000 0.225 878 G C -0.193 174.712 174.900 0.008 0.000 1.015 878 G CA -0.009 45.097 45.100 0.010 0.000 0.716 878 G HN 0.181 nan 8.290 nan 0.000 0.508 879 V N 1.307 121.229 119.914 0.013 0.000 2.327 879 V HA 0.604 4.622 4.120 -0.170 0.000 0.272 879 V C 0.893 176.995 176.094 0.014 0.000 1.019 879 V CA 0.435 62.740 62.300 0.009 0.000 0.814 879 V CB 0.872 32.702 31.823 0.011 0.000 1.040 879 V HN 0.728 nan 8.190 nan 0.000 0.440 880 T N -0.693 113.868 114.554 0.011 0.000 2.966 880 T HA 0.268 4.515 4.350 -0.170 0.000 0.254 880 T C 0.515 175.221 174.700 0.011 0.000 0.961 880 T CA -0.318 61.792 62.100 0.017 0.000 0.915 880 T CB 0.529 69.409 68.868 0.019 0.000 1.186 880 T HN 0.332 nan 8.240 nan 0.000 0.505 881 K N 2.618 123.019 120.400 0.001 0.000 2.156 881 K HA 0.425 4.643 4.320 -0.170 0.000 0.271 881 K C -0.271 176.321 176.600 -0.014 0.000 0.995 881 K CA -0.413 55.871 56.287 -0.006 0.000 0.890 881 K CB 2.151 34.644 32.500 -0.011 0.000 1.073 881 K HN 0.475 nan 8.250 nan 0.000 0.454 882 E N 2.247 122.438 120.200 -0.014 0.000 2.344 882 E HA 0.072 4.319 4.350 -0.170 0.000 0.270 882 E C -0.850 175.726 176.600 -0.039 0.000 1.021 882 E CA -0.386 56.001 56.400 -0.022 0.000 0.887 882 E CB 0.800 30.490 29.700 -0.017 0.000 0.997 882 E HN 0.151 nan 8.360 nan 0.000 0.429 883 V N 6.775 126.658 119.914 -0.053 0.000 2.432 883 V HA 0.203 4.220 4.120 -0.170 0.000 0.275 883 V C 0.205 176.240 176.094 -0.099 0.000 1.043 883 V CA -0.421 61.832 62.300 -0.078 0.000 0.925 883 V CB 1.087 32.854 31.823 -0.094 0.000 0.985 883 V HN 0.619 nan 8.190 nan 0.000 0.466 884 I N 7.369 127.870 120.570 -0.116 0.000 2.405 884 I HA 0.358 4.426 4.170 -0.170 0.000 0.280 884 I C -2.211 173.774 176.117 -0.221 0.000 1.027 884 I CA -1.821 59.391 61.300 -0.147 0.000 1.161 884 I CB 1.683 39.615 38.000 -0.113 0.000 1.300 884 I HN 0.425 nan 8.210 nan 0.000 0.463 885 P HA 0.207 nan 4.420 nan 0.000 0.269 885 P C -2.023 174.942 177.300 -0.558 0.000 1.215 885 P CA -0.983 61.774 63.100 -0.571 0.000 0.780 885 P CB 0.104 31.237 31.700 -0.945 0.000 0.898 886 P HA -0.035 nan 4.420 nan 0.000 0.220 886 P C 0.059 177.210 177.300 -0.248 0.000 1.152 886 P CA 1.239 64.174 63.100 -0.277 0.000 0.812 886 P CB -0.174 31.493 31.700 -0.055 0.000 0.792 887 Y N -3.109 117.149 120.300 -0.069 0.000 2.596 887 Y HA 0.617 5.064 4.550 -0.171 0.000 0.326 887 Y C -0.130 175.717 175.900 -0.089 0.000 1.167 887 Y CA -2.028 56.050 58.100 -0.037 0.000 1.246 887 Y CB -0.092 38.385 38.460 0.028 0.000 1.347 887 Y HN -0.293 nan 8.280 nan 0.000 0.515 888 Y N 0.462 120.943 120.300 0.303 0.000 2.320 888 Y HA 0.493 4.941 4.550 -0.171 0.000 0.334 888 Y C -0.224 175.861 175.900 0.307 0.000 1.055 888 Y CA -0.241 58.015 58.100 0.259 0.000 1.143 888 Y CB 1.769 40.374 38.460 0.242 0.000 1.193 888 Y HN 0.602 nan 8.280 nan 0.000 0.477 889 S N 2.819 118.797 115.700 0.464 0.000 2.498 889 S HA 0.601 4.969 4.470 -0.170 0.000 0.317 889 S C -0.956 173.965 174.600 0.535 0.000 1.090 889 S CA -0.717 57.737 58.200 0.425 0.000 1.089 889 S CB 1.096 64.457 63.200 0.268 0.000 0.997 889 S HN 0.335 nan 8.310 nan 0.000 0.470 890 V N 4.217 124.343 119.914 0.353 0.000 2.495 890 V HA 0.478 4.496 4.120 -0.170 0.000 0.298 890 V C -0.016 176.078 176.094 -0.000 0.000 1.031 890 V CA -0.765 61.638 62.300 0.172 0.000 0.871 890 V CB 1.827 33.644 31.823 -0.010 0.000 0.988 890 V HN 0.711 nan 8.190 nan 0.000 0.432 891 K N 3.620 123.847 120.400 -0.288 0.000 2.185 891 K HA 0.591 4.809 4.320 -0.170 0.000 0.269 891 K C -0.905 175.513 176.600 -0.303 0.000 0.987 891 K CA -0.408 55.590 56.287 -0.482 0.000 0.865 891 K CB 1.686 33.557 32.500 -1.048 0.000 1.090 891 K HN 0.740 nan 8.250 nan 0.000 0.450 892 E N 2.887 122.936 120.200 -0.251 0.000 2.256 892 E HA 0.289 4.536 4.350 -0.170 0.000 0.267 892 E C -1.210 175.299 176.600 -0.152 0.000 0.892 892 E CA -0.885 55.390 56.400 -0.209 0.000 0.775 892 E CB 1.725 31.258 29.700 -0.278 0.000 1.207 892 E HN 0.383 nan 8.360 nan 0.000 0.420 893 V N 1.324 121.174 119.914 -0.107 0.000 2.973 893 V HA 0.832 4.850 4.120 -0.170 0.000 0.314 893 V C -0.215 175.841 176.094 -0.062 0.000 1.066 893 V CA -0.545 61.706 62.300 -0.081 0.000 1.021 893 V CB 1.486 33.272 31.823 -0.062 0.000 1.076 893 V HN 0.599 nan 8.190 nan 0.000 0.462 894 V N 1.322 121.200 119.914 -0.060 0.000 2.444 894 V HA 0.737 4.755 4.120 -0.170 0.000 0.294 894 V C -0.635 175.410 176.094 -0.081 0.000 1.022 894 V CA -0.570 61.696 62.300 -0.056 0.000 0.850 894 V CB 0.847 32.641 31.823 -0.048 0.000 0.992 894 V HN 0.859 nan 8.190 nan 0.000 0.426 895 L N 6.503 127.664 121.223 -0.104 0.000 2.325 895 L HA 0.643 4.880 4.340 -0.170 0.000 0.278 895 L C -1.519 175.199 176.870 -0.254 0.000 1.023 895 L CA -1.449 53.240 54.840 -0.252 0.000 0.811 895 L CB 2.397 44.212 42.059 -0.407 0.000 1.249 895 L HN 0.455 nan 8.230 nan 0.000 0.431 896 P HA 0.048 nan 4.420 nan 0.000 0.253 896 P C 1.194 178.392 177.300 -0.170 0.000 1.260 896 P CA 0.174 63.138 63.100 -0.227 0.000 0.800 896 P CB 0.043 31.656 31.700 -0.146 0.000 1.162 897 F N 2.645 122.642 119.950 0.078 0.000 2.115 897 F HA -0.247 4.164 4.527 -0.192 0.000 0.300 897 F C 2.162 177.957 175.800 -0.008 0.000 1.092 897 F CA 1.675 59.740 58.000 0.109 0.000 1.245 897 F CB -2.007 37.087 39.000 0.156 0.000 0.995 897 F HN 0.136 nan 8.300 nan 0.000 0.481 898 N N 0.564 119.322 118.700 0.097 0.000 2.519 898 N HA -0.178 4.460 4.740 -0.170 0.000 0.186 898 N C 1.133 176.539 175.510 -0.174 0.000 1.062 898 N CA 1.002 54.043 53.050 -0.015 0.000 0.910 898 N CB -0.440 38.035 38.487 -0.021 0.000 0.958 898 N HN 0.224 nan 8.380 nan 0.000 0.445 899 K N -0.217 119.935 120.400 -0.413 0.000 2.361 899 K HA 0.095 4.312 4.320 -0.170 0.000 0.196 899 K C -0.345 175.764 176.600 -0.818 0.000 1.039 899 K CA 0.234 56.081 56.287 -0.733 0.000 1.001 899 K CB 0.105 31.842 32.500 -1.271 0.000 0.795 899 K HN 0.252 nan 8.250 nan 0.000 0.495 900 F N 1.014 120.934 119.950 -0.051 0.000 2.660 900 F HA 0.288 4.738 4.527 -0.127 0.000 0.352 900 F C -1.868 173.963 175.800 0.052 0.000 1.257 900 F CA -2.648 55.350 58.000 -0.003 0.000 1.200 900 F CB 1.335 40.298 39.000 -0.061 0.000 1.473 900 F HN -0.176 nan 8.300 nan 0.000 0.561 901 P HA -0.125 nan 4.420 nan 0.000 0.216 901 P C 1.853 179.208 177.300 0.091 0.000 1.150 901 P CA 1.447 64.601 63.100 0.089 0.000 0.837 901 P CB 0.239 31.954 31.700 0.026 0.000 0.786 902 G N -0.420 108.450 108.800 0.115 0.000 2.535 902 G HA2 -0.038 3.820 3.960 -0.170 0.000 0.218 902 G HA3 -0.038 3.820 3.960 -0.170 0.000 0.218 902 G C 0.478 175.436 174.900 0.096 0.000 1.122 902 G CA 0.138 45.289 45.100 0.087 0.000 0.769 902 G HN 0.219 nan 8.290 nan 0.000 0.549 903 V N 0.533 120.541 119.914 0.157 0.000 2.686 903 V HA 0.230 4.248 4.120 -0.170 0.000 0.295 903 V C -0.247 175.862 176.094 0.024 0.000 1.057 903 V CA -1.183 61.213 62.300 0.160 0.000 1.012 903 V CB 1.857 33.898 31.823 0.362 0.000 1.006 903 V HN 0.081 nan 8.190 nan 0.000 0.477 904 D N 5.140 125.509 120.400 -0.051 0.000 2.336 904 D HA 0.225 4.762 4.640 -0.170 0.000 0.249 904 D C -2.192 173.843 176.300 -0.442 0.000 1.213 904 D CA -2.112 51.782 54.000 -0.176 0.000 0.870 904 D CB 1.405 42.136 40.800 -0.114 0.000 1.076 904 D HN 0.287 nan 8.370 nan 0.000 0.483 905 P HA 0.145 nan 4.420 nan 0.000 0.235 905 P C -0.659 176.196 177.300 -0.741 0.000 1.765 905 P CA -0.264 62.019 63.100 -1.362 0.000 1.034 905 P CB -0.367 31.033 31.700 -0.499 0.000 1.984 906 L N 1.090 121.972 121.223 -0.567 0.000 2.381 906 L HA 0.467 4.705 4.340 -0.170 0.000 0.268 906 L C -0.854 176.056 176.870 0.067 0.000 0.997 906 L CA -1.155 53.610 54.840 -0.125 0.000 0.818 906 L CB 1.656 43.651 42.059 -0.107 0.000 1.310 906 L HN -0.117 nan 8.230 nan 0.000 0.416 907 L N 4.027 125.334 121.223 0.141 0.000 2.436 907 L HA 0.807 5.044 4.340 -0.170 0.000 0.265 907 L C 0.728 177.675 176.870 0.129 0.000 1.168 907 L CA 0.230 55.179 54.840 0.181 0.000 0.815 907 L CB 0.720 42.885 42.059 0.177 0.000 1.109 907 L HN 0.903 nan 8.230 nan 0.000 0.462 908 G N 0.715 109.596 108.800 0.135 0.000 2.489 908 G HA2 0.338 4.196 3.960 -0.170 0.000 0.305 908 G HA3 0.338 4.196 3.960 -0.170 0.000 0.305 908 G C -2.705 172.266 174.900 0.119 0.000 1.311 908 G CA -0.408 44.748 45.100 0.093 0.000 0.813 908 G HN 0.312 nan 8.290 nan 0.000 0.480 909 P HA 0.061 nan 4.420 nan 0.000 0.239 909 P C 0.140 177.546 177.300 0.176 0.000 1.184 909 P CA 0.860 64.032 63.100 0.120 0.000 0.760 909 P CB 0.346 32.068 31.700 0.036 0.000 0.884 910 E N 0.103 120.362 120.200 0.098 0.000 2.187 910 E HA 0.346 4.594 4.350 -0.170 0.000 0.268 910 E C -0.704 175.833 176.600 -0.105 0.000 0.896 910 E CA -1.097 55.300 56.400 -0.004 0.000 0.766 910 E CB 1.128 30.795 29.700 -0.054 0.000 1.142 910 E HN -0.134 nan 8.360 nan 0.000 0.408 911 M N 4.561 123.916 119.600 -0.409 0.000 2.217 911 M HA 0.178 4.556 4.480 -0.170 0.000 0.352 911 M C 0.088 176.252 176.300 -0.227 0.000 1.376 911 M CA 0.390 55.437 55.300 -0.421 0.000 1.107 911 M CB 0.382 32.509 32.600 -0.788 0.000 1.723 911 M HN 0.568 nan 8.290 nan 0.000 0.461 912 R N 1.289 121.717 120.500 -0.121 0.000 2.521 912 R HA 0.180 4.417 4.340 -0.170 0.000 0.289 912 R C 0.063 176.338 176.300 -0.041 0.000 0.936 912 R CA 0.154 56.203 56.100 -0.086 0.000 1.089 912 R CB 0.674 30.948 30.300 -0.042 0.000 1.348 912 R HN 0.845 nan 8.270 nan 0.000 0.536 913 S N -0.525 115.131 115.700 -0.073 0.000 2.568 913 S HA 0.000 4.368 4.470 -0.170 0.000 0.282 913 S C 1.196 175.776 174.600 -0.033 0.000 1.338 913 S CA 0.244 58.401 58.200 -0.071 0.000 1.045 913 S CB 1.435 64.600 63.200 -0.058 0.000 0.873 913 S HN 0.313 nan 8.310 nan 0.000 0.516 914 T N -0.520 114.012 114.554 -0.036 0.000 3.039 914 T HA 0.491 4.739 4.350 -0.170 0.000 0.250 914 T C 0.864 175.553 174.700 -0.018 0.000 1.052 914 T CA 0.269 62.360 62.100 -0.015 0.000 1.125 914 T CB -0.262 68.594 68.868 -0.020 0.000 0.908 914 T HN 1.096 nan 8.240 nan 0.000 0.473 915 G N 0.544 109.324 108.800 -0.033 0.000 2.663 915 G HA2 0.618 4.475 3.960 -0.170 0.000 0.299 915 G HA3 0.618 4.475 3.960 -0.170 0.000 0.299 915 G C -2.040 172.828 174.900 -0.055 0.000 1.372 915 G CA -0.876 44.202 45.100 -0.036 0.000 0.781 915 G HN 0.530 nan 8.290 nan 0.000 0.491 916 E N -2.030 118.134 120.200 -0.060 0.000 2.446 916 E HA 0.712 4.959 4.350 -0.170 0.000 0.276 916 E C -1.002 175.557 176.600 -0.068 0.000 0.969 916 E CA -1.025 55.325 56.400 -0.082 0.000 0.800 916 E CB 2.302 31.934 29.700 -0.113 0.000 1.341 916 E HN 1.038 nan 8.360 nan 0.000 0.460 917 V N -1.852 118.011 119.914 -0.085 0.000 3.141 917 V HA 0.766 4.784 4.120 -0.170 0.000 0.312 917 V C -0.579 175.480 176.094 -0.058 0.000 1.157 917 V CA -1.097 61.165 62.300 -0.063 0.000 1.041 917 V CB 1.863 33.641 31.823 -0.075 0.000 1.071 917 V HN 0.930 nan 8.190 nan 0.000 0.441 918 M N 1.683 121.279 119.600 -0.007 0.000 2.393 918 M HA 0.838 5.216 4.480 -0.170 0.000 0.299 918 M C -0.552 175.762 176.300 0.022 0.000 1.103 918 M CA -0.231 55.111 55.300 0.069 0.000 0.910 918 M CB 2.063 34.800 32.600 0.227 0.000 1.659 918 M HN 1.186 nan 8.290 nan 0.000 0.445 919 G N 3.105 111.917 108.800 0.022 0.000 2.530 919 G HA2 0.644 4.501 3.960 -0.170 0.000 0.316 919 G HA3 0.644 4.501 3.960 -0.170 0.000 0.316 919 G C -1.714 173.210 174.900 0.041 0.000 1.298 919 G CA -0.492 44.592 45.100 -0.028 0.000 0.948 919 G HN 0.599 nan 8.290 nan 0.000 0.486 920 V N 1.409 121.333 119.914 0.017 0.000 2.448 920 V HA 0.907 4.925 4.120 -0.170 0.000 0.295 920 V C 0.620 176.741 176.094 0.045 0.000 1.025 920 V CA -0.076 62.247 62.300 0.038 0.000 0.859 920 V CB 1.214 32.985 31.823 -0.087 0.000 0.988 920 V HN 1.096 nan 8.190 nan 0.000 0.431 921 G N 3.391 112.277 108.800 0.143 0.000 2.695 921 G HA2 0.521 4.379 3.960 -0.170 0.000 0.290 921 G HA3 0.521 4.379 3.960 -0.170 0.000 0.290 921 G C -0.058 174.986 174.900 0.241 0.000 1.410 921 G CA -0.763 44.416 45.100 0.132 0.000 0.844 921 G HN 0.538 nan 8.290 nan 0.000 0.478 922 R N -0.993 119.621 120.500 0.190 0.000 2.115 922 R HA 0.114 4.352 4.340 -0.170 0.000 0.226 922 R C 1.232 177.726 176.300 0.323 0.000 1.100 922 R CA 1.448 57.681 56.100 0.223 0.000 0.980 922 R CB -0.071 30.315 30.300 0.144 0.000 0.875 922 R HN 0.612 nan 8.270 nan 0.000 0.445 923 T N -3.634 111.085 114.554 0.274 0.000 2.924 923 T HA 0.209 4.457 4.350 -0.170 0.000 0.291 923 T C 0.501 175.249 174.700 0.080 0.000 1.045 923 T CA -0.929 61.323 62.100 0.253 0.000 1.015 923 T CB 1.637 70.584 68.868 0.131 0.000 1.103 923 T HN 0.075 nan 8.240 nan 0.000 0.496 924 F N 1.981 121.645 119.950 -0.477 0.000 2.161 924 F HA 0.033 4.457 4.527 -0.172 0.000 0.300 924 F C 2.419 178.106 175.800 -0.189 0.000 1.089 924 F CA 1.848 59.466 58.000 -0.638 0.000 1.282 924 F CB -0.714 37.764 39.000 -0.870 0.000 1.010 924 F HN 0.754 nan 8.300 nan 0.000 0.485 925 A N -0.233 122.502 122.820 -0.143 0.000 1.972 925 A HA -0.222 3.995 4.320 -0.170 0.000 0.219 925 A C 2.252 179.746 177.584 -0.150 0.000 1.169 925 A CA 1.816 53.765 52.037 -0.145 0.000 0.635 925 A CB -0.892 18.125 19.000 0.028 0.000 0.810 925 A HN 0.623 nan 8.150 nan 0.000 0.446 926 E N -0.381 119.760 120.200 -0.099 0.000 2.076 926 E HA -0.010 4.237 4.350 -0.170 0.000 0.190 926 E C 2.214 178.755 176.600 -0.099 0.000 0.979 926 E CA 0.726 57.089 56.400 -0.062 0.000 0.807 926 E CB -0.188 29.513 29.700 0.002 0.000 0.761 926 E HN 0.531 nan 8.360 nan 0.000 0.454 927 A N 0.771 123.523 122.820 -0.113 0.000 1.877 927 A HA -0.193 4.025 4.320 -0.170 0.000 0.216 927 A C 1.995 179.445 177.584 -0.223 0.000 1.186 927 A CA 1.255 53.232 52.037 -0.101 0.000 0.620 927 A CB -0.966 18.044 19.000 0.017 0.000 0.822 927 A HN 0.469 nan 8.150 nan 0.000 0.443 928 F N 0.780 120.400 119.950 -0.551 0.000 2.161 928 F HA -0.110 4.314 4.527 -0.172 0.000 0.300 928 F C 2.533 178.144 175.800 -0.314 0.000 1.089 928 F CA 1.232 58.910 58.000 -0.536 0.000 1.282 928 F CB -0.172 38.297 39.000 -0.886 0.000 1.010 928 F HN 0.259 nan 8.300 nan 0.000 0.485 929 A N -0.168 122.561 122.820 -0.152 0.000 1.930 929 A HA -0.193 4.025 4.320 -0.170 0.000 0.217 929 A C 2.166 179.622 177.584 -0.214 0.000 1.175 929 A CA 1.823 53.773 52.037 -0.145 0.000 0.627 929 A CB -0.547 18.400 19.000 -0.089 0.000 0.815 929 A HN 0.417 nan 8.150 nan 0.000 0.443 930 K N -0.306 119.974 120.400 -0.199 0.000 2.062 930 K HA 0.085 4.303 4.320 -0.170 0.000 0.205 930 K C 2.283 178.756 176.600 -0.212 0.000 1.051 930 K CA 1.014 57.197 56.287 -0.173 0.000 0.941 930 K CB -0.293 32.137 32.500 -0.117 0.000 0.719 930 K HN 0.408 nan 8.250 nan 0.000 0.440 931 A N 1.192 123.836 122.820 -0.293 0.000 1.902 931 A HA -0.270 3.948 4.320 -0.170 0.000 0.217 931 A C 2.156 179.509 177.584 -0.386 0.000 1.181 931 A CA 1.644 53.481 52.037 -0.333 0.000 0.623 931 A CB -0.556 18.192 19.000 -0.420 0.000 0.818 931 A HN 0.377 nan 8.150 nan 0.000 0.443 932 Q N -0.926 118.558 119.800 -0.526 0.000 2.050 932 Q HA -0.187 4.051 4.340 -0.170 0.000 0.202 932 Q C 2.015 177.877 176.000 -0.229 0.000 0.980 932 Q CA 1.773 57.323 55.803 -0.420 0.000 0.840 932 Q CB -0.271 28.199 28.738 -0.447 0.000 0.898 932 Q HN 0.533 nan 8.270 nan 0.000 0.424 933 L N 0.397 121.498 121.223 -0.202 0.000 2.042 933 L HA -0.051 4.186 4.340 -0.170 0.000 0.210 933 L C 2.129 178.950 176.870 -0.082 0.000 1.076 933 L CA 2.420 57.181 54.840 -0.131 0.000 0.749 933 L CB -1.016 40.950 42.059 -0.155 0.000 0.893 933 L HN 0.317 nan 8.230 nan 0.000 0.432 934 G N -1.425 107.312 108.800 -0.105 0.000 2.432 934 G HA2 -0.300 3.558 3.960 -0.170 0.000 0.219 934 G HA3 -0.300 3.558 3.960 -0.170 0.000 0.219 934 G C 1.522 176.386 174.900 -0.059 0.000 1.135 934 G CA 0.926 45.984 45.100 -0.070 0.000 0.767 934 G HN 0.594 nan 8.290 nan 0.000 0.550 935 S N -0.384 115.267 115.700 -0.083 0.000 2.660 935 S HA 0.015 4.383 4.470 -0.170 0.000 0.223 935 S C 1.069 175.654 174.600 -0.026 0.000 0.963 935 S CA 0.825 58.987 58.200 -0.063 0.000 0.932 935 S CB -0.598 62.550 63.200 -0.085 0.000 0.775 935 S HN 0.600 nan 8.310 nan 0.000 0.531 936 N N 0.042 118.735 118.700 -0.012 0.000 2.869 936 N HA -0.186 4.451 4.740 -0.170 0.000 0.249 936 N C -0.400 175.137 175.510 0.045 0.000 1.104 936 N CA 0.579 53.640 53.050 0.019 0.000 0.760 936 N CB -1.637 36.860 38.487 0.016 0.000 1.108 936 N HN 0.518 nan 8.380 nan 0.000 0.555 937 S N -0.156 115.566 115.700 0.036 0.000 2.562 937 S HA 0.197 4.565 4.470 -0.170 0.000 0.281 937 S C 1.521 176.172 174.600 0.085 0.000 1.333 937 S CA 0.768 59.020 58.200 0.087 0.000 1.052 937 S CB 1.017 64.210 63.200 -0.012 0.000 0.884 937 S HN 0.331 nan 8.310 nan 0.000 0.506 938 T N 2.746 117.395 114.554 0.157 0.000 3.145 938 T HA 0.241 4.489 4.350 -0.170 0.000 0.255 938 T C 0.479 175.264 174.700 0.142 0.000 1.039 938 T CA -0.484 61.703 62.100 0.145 0.000 0.928 938 T CB -0.267 68.698 68.868 0.162 0.000 1.029 938 T HN 0.524 nan 8.240 nan 0.000 0.554 939 M N 3.255 122.895 119.600 0.066 0.000 2.251 939 M HA 0.237 4.615 4.480 -0.170 0.000 0.343 939 M C -0.207 176.099 176.300 0.010 0.000 1.245 939 M CA -0.212 55.086 55.300 -0.002 0.000 1.061 939 M CB 0.128 32.530 32.600 -0.330 0.000 1.723 939 M HN 0.057 nan 8.290 nan 0.000 0.449 940 K N 4.309 124.735 120.400 0.043 0.000 2.258 940 K HA 0.387 4.605 4.320 -0.170 0.000 0.236 940 K C -0.084 176.537 176.600 0.035 0.000 1.008 940 K CA -0.803 55.468 56.287 -0.028 0.000 0.869 940 K CB 1.130 33.471 32.500 -0.266 0.000 1.171 940 K HN 0.608 nan 8.250 nan 0.000 0.447 941 K N 0.879 121.285 120.400 0.009 0.000 2.374 941 K HA 0.044 4.262 4.320 -0.170 0.000 0.196 941 K C 0.487 177.000 176.600 -0.144 0.000 1.023 941 K CA 0.243 56.568 56.287 0.064 0.000 1.103 941 K CB 0.181 32.722 32.500 0.069 0.000 0.848 941 K HN 0.619 nan 8.250 nan 0.000 0.528 942 H N -2.183 116.640 119.070 -0.411 0.000 2.942 942 H HA 0.585 5.039 4.556 -0.170 0.000 0.316 942 H C 0.198 175.134 175.328 -0.653 0.000 1.323 942 H CA -0.162 55.425 56.048 -0.767 0.000 1.144 942 H CB 1.167 30.729 29.762 -0.334 0.000 1.866 942 H HN 0.085 nan 8.280 nan 0.000 0.545 943 G N 0.585 109.160 108.800 -0.375 0.000 2.418 943 G HA2 -0.101 3.756 3.960 -0.170 0.000 0.206 943 G HA3 -0.101 3.756 3.960 -0.170 0.000 0.206 943 G C -1.083 173.897 174.900 0.134 0.000 1.202 943 G CA -0.276 44.801 45.100 -0.039 0.000 1.061 943 G HN 0.837 nan 8.290 nan 0.000 0.563 944 R N 0.350 121.034 120.500 0.306 0.000 2.494 944 R HA 0.707 4.945 4.340 -0.170 0.000 0.305 944 R C 0.056 176.693 176.300 0.561 0.000 0.959 944 R CA 0.086 56.436 56.100 0.417 0.000 0.864 944 R CB 1.369 31.838 30.300 0.283 0.000 1.159 944 R HN 1.422 nan 8.270 nan 0.000 0.446 945 A N 3.976 127.063 122.820 0.444 0.000 2.325 945 A HA 0.538 4.755 4.320 -0.170 0.000 0.333 945 A C -1.421 176.151 177.584 -0.019 0.000 1.155 945 A CA -0.723 51.435 52.037 0.203 0.000 0.814 945 A CB 1.284 20.345 19.000 0.102 0.000 1.206 945 A HN 0.600 nan 8.150 nan 0.000 0.482 946 L N 2.232 123.245 121.223 -0.350 0.000 2.305 946 L HA 0.682 4.919 4.340 -0.170 0.000 0.284 946 L C -1.620 175.048 176.870 -0.337 0.000 1.013 946 L CA -0.320 54.213 54.840 -0.512 0.000 0.819 946 L CB 1.126 42.517 42.059 -1.114 0.000 1.227 946 L HN 0.475 nan 8.230 nan 0.000 0.417 947 L N 4.609 125.711 121.223 -0.202 0.000 2.287 947 L HA 0.642 4.880 4.340 -0.170 0.000 0.287 947 L C 0.127 176.923 176.870 -0.124 0.000 1.022 947 L CA 0.058 54.806 54.840 -0.153 0.000 0.814 947 L CB 1.529 43.533 42.059 -0.092 0.000 1.217 947 L HN 0.661 nan 8.230 nan 0.000 0.420 948 S N 2.877 118.502 115.700 -0.125 0.000 2.381 948 S HA 0.596 4.964 4.470 -0.170 0.000 0.193 948 S C -0.748 173.810 174.600 -0.069 0.000 1.287 948 S CA -0.542 57.605 58.200 -0.088 0.000 1.199 948 S CB 0.395 63.532 63.200 -0.104 0.000 1.214 948 S HN 0.426 nan 8.310 nan 0.000 0.444 949 V N 2.991 122.879 119.914 -0.044 0.000 2.881 949 V HA 0.846 4.864 4.120 -0.170 0.000 0.316 949 V C -0.104 175.983 176.094 -0.012 0.000 1.070 949 V CA -1.368 60.916 62.300 -0.026 0.000 0.976 949 V CB 1.425 33.237 31.823 -0.017 0.000 1.038 949 V HN 0.817 nan 8.190 nan 0.000 0.446 950 R N 0.934 121.431 120.500 -0.005 0.000 2.637 950 R HA 0.463 4.701 4.340 -0.170 0.000 0.269 950 R C 0.973 177.279 176.300 0.009 0.000 1.089 950 R CA -0.326 55.770 56.100 -0.006 0.000 1.177 950 R CB 0.176 30.468 30.300 -0.013 0.000 1.091 950 R HN 0.680 nan 8.270 nan 0.000 0.540 951 E N 1.403 121.605 120.200 0.003 0.000 2.072 951 E HA -0.211 4.037 4.350 -0.170 0.000 0.218 951 E C 2.040 178.659 176.600 0.031 0.000 1.051 951 E CA 2.490 58.899 56.400 0.014 0.000 0.880 951 E CB -1.001 28.703 29.700 0.006 0.000 0.783 951 E HN 0.902 nan 8.360 nan 0.000 0.473 952 G N 0.119 108.943 108.800 0.040 0.000 2.501 952 G HA2 -0.237 3.621 3.960 -0.170 0.000 0.220 952 G HA3 -0.237 3.621 3.960 -0.170 0.000 0.220 952 G C 1.028 175.966 174.900 0.063 0.000 1.114 952 G CA 1.117 46.252 45.100 0.058 0.000 0.757 952 G HN 0.202 nan 8.290 nan 0.000 0.559 953 D N -0.322 120.113 120.400 0.057 0.000 2.392 953 D HA 0.085 4.623 4.640 -0.170 0.000 0.206 953 D C 2.261 178.597 176.300 0.060 0.000 1.046 953 D CA 0.149 54.190 54.000 0.068 0.000 0.865 953 D CB 0.069 40.905 40.800 0.061 0.000 0.969 953 D HN 0.208 nan 8.370 nan 0.000 0.509 954 K N 0.891 121.317 120.400 0.044 0.000 2.160 954 K HA -0.181 4.037 4.320 -0.170 0.000 0.206 954 K C 1.884 178.512 176.600 0.046 0.000 1.047 954 K CA 1.021 57.330 56.287 0.037 0.000 0.930 954 K CB 0.163 32.681 32.500 0.030 0.000 0.720 954 K HN 0.177 nan 8.250 nan 0.000 0.450 955 E N 0.518 120.750 120.200 0.052 0.000 2.028 955 E HA -0.168 4.079 4.350 -0.170 0.000 0.191 955 E C 2.095 178.742 176.600 0.077 0.000 0.988 955 E CA 1.078 57.511 56.400 0.055 0.000 0.799 955 E CB 0.125 29.854 29.700 0.048 0.000 0.755 955 E HN 0.166 nan 8.360 nan 0.000 0.447 956 R N 0.088 120.653 120.500 0.108 0.000 2.148 956 R HA -0.059 4.178 4.340 -0.170 0.000 0.227 956 R C 2.349 178.793 176.300 0.239 0.000 1.103 956 R CA 0.481 56.694 56.100 0.189 0.000 0.983 956 R CB -0.141 30.302 30.300 0.238 0.000 0.874 956 R HN 0.108 nan 8.270 nan 0.000 0.451 957 V N 0.534 120.520 119.914 0.121 0.000 2.546 957 V HA -0.226 3.792 4.120 -0.170 0.000 0.254 957 V C 1.902 178.015 176.094 0.033 0.000 1.076 957 V CA 1.620 63.938 62.300 0.030 0.000 1.087 957 V CB -0.056 31.770 31.823 0.006 0.000 0.674 957 V HN 0.143 nan 8.190 nan 0.000 0.470 958 V N 0.363 120.320 119.914 0.072 0.000 2.287 958 V HA -0.268 3.750 4.120 -0.170 0.000 0.248 958 V C 2.389 178.533 176.094 0.083 0.000 1.053 958 V CA 2.574 64.912 62.300 0.063 0.000 1.027 958 V CB -0.816 31.044 31.823 0.061 0.000 0.646 958 V HN 0.704 nan 8.190 nan 0.000 0.447 959 D N -0.276 120.218 120.400 0.156 0.000 2.144 959 D HA -0.145 4.393 4.640 -0.170 0.000 0.200 959 D C 1.921 178.341 176.300 0.200 0.000 0.978 959 D CA 1.019 55.146 54.000 0.211 0.000 0.833 959 D CB -0.121 40.854 40.800 0.293 0.000 0.961 959 D HN 0.331 nan 8.370 nan 0.000 0.470 960 L N 0.262 121.515 121.223 0.049 0.000 2.093 960 L HA 0.088 4.325 4.340 -0.170 0.000 0.208 960 L C 2.110 178.901 176.870 -0.131 0.000 1.085 960 L CA 1.991 56.658 54.840 -0.288 0.000 0.755 960 L CB -0.884 40.668 42.059 -0.846 0.000 0.904 960 L HN 0.029 nan 8.230 nan 0.000 0.435 961 A N -0.230 122.551 122.820 -0.065 0.000 1.902 961 A HA -0.067 4.151 4.320 -0.170 0.000 0.217 961 A C 2.473 180.064 177.584 0.012 0.000 1.181 961 A CA 1.701 53.723 52.037 -0.026 0.000 0.623 961 A CB -1.174 17.824 19.000 -0.003 0.000 0.818 961 A HN 0.584 nan 8.150 nan 0.000 0.443 962 A N -0.292 122.548 122.820 0.033 0.000 1.902 962 A HA -0.170 4.047 4.320 -0.170 0.000 0.217 962 A C 2.106 179.723 177.584 0.056 0.000 1.181 962 A CA 1.973 54.041 52.037 0.051 0.000 0.623 962 A CB -0.432 18.605 19.000 0.062 0.000 0.818 962 A HN 0.526 nan 8.150 nan 0.000 0.443 963 K N -0.403 120.028 120.400 0.051 0.000 2.032 963 K HA -0.061 4.157 4.320 -0.170 0.000 0.209 963 K C 1.814 178.438 176.600 0.041 0.000 1.048 963 K CA 1.558 57.875 56.287 0.050 0.000 0.927 963 K CB -0.386 32.144 32.500 0.050 0.000 0.712 963 K HN 0.496 nan 8.250 nan 0.000 0.441 964 L N 0.642 121.859 121.223 -0.010 0.000 2.131 964 L HA -0.192 4.046 4.340 -0.170 0.000 0.210 964 L C 2.273 179.262 176.870 0.199 0.000 1.092 964 L CA 0.946 55.786 54.840 0.000 0.000 0.759 964 L CB -0.377 41.580 42.059 -0.171 0.000 0.903 964 L HN 0.194 nan 8.230 nan 0.000 0.435 965 L N -0.329 120.972 121.223 0.130 0.000 2.072 965 L HA -0.196 4.041 4.340 -0.170 0.000 0.205 965 L C 2.725 179.671 176.870 0.127 0.000 1.079 965 L CA 1.206 56.130 54.840 0.140 0.000 0.752 965 L CB -0.345 41.768 42.059 0.091 0.000 0.906 965 L HN 0.212 nan 8.230 nan 0.000 0.436 966 K N -0.507 119.955 120.400 0.102 0.000 2.152 966 K HA -0.239 3.979 4.320 -0.170 0.000 0.206 966 K C 2.087 178.747 176.600 0.099 0.000 1.048 966 K CA 1.174 57.512 56.287 0.085 0.000 0.933 966 K CB 0.081 32.623 32.500 0.070 0.000 0.721 966 K HN 0.150 nan 8.250 nan 0.000 0.447 967 Q N -0.542 119.350 119.800 0.154 0.000 2.488 967 Q HA -0.028 4.210 4.340 -0.170 0.000 0.211 967 Q C 0.791 176.867 176.000 0.127 0.000 0.967 967 Q CA 1.096 57.011 55.803 0.187 0.000 0.926 967 Q CB 0.443 29.386 28.738 0.342 0.000 0.992 967 Q HN 0.594 nan 8.270 nan 0.000 0.506 968 G N -0.502 108.370 108.800 0.120 0.000 2.131 968 G HA2 -0.250 3.607 3.960 -0.170 0.000 0.223 968 G HA3 -0.250 3.607 3.960 -0.170 0.000 0.223 968 G C -0.167 174.716 174.900 -0.028 0.000 0.990 968 G CA -0.148 44.966 45.100 0.023 0.000 0.671 968 G HN 0.247 nan 8.290 nan 0.000 0.521 969 F N 0.879 120.863 119.950 0.057 0.000 2.380 969 F HA 0.590 5.015 4.527 -0.170 0.000 0.325 969 F C 1.041 176.885 175.800 0.073 0.000 1.136 969 F CA -0.179 57.865 58.000 0.073 0.000 1.171 969 F CB 0.889 39.931 39.000 0.070 0.000 1.230 969 F HN 0.082 nan 8.300 nan 0.000 0.554 970 E N 1.868 122.236 120.200 0.280 0.000 2.214 970 E HA 0.536 4.784 4.350 -0.170 0.000 0.274 970 E C -1.222 175.512 176.600 0.222 0.000 0.977 970 E CA -0.637 55.879 56.400 0.193 0.000 0.827 970 E CB 1.424 31.205 29.700 0.135 0.000 1.130 970 E HN 0.382 nan 8.360 nan 0.000 0.394 971 L N 2.036 123.353 121.223 0.157 0.000 2.334 971 L HA 0.552 4.790 4.340 -0.170 0.000 0.273 971 L C -0.623 176.319 176.870 0.121 0.000 1.013 971 L CA -0.985 53.937 54.840 0.136 0.000 0.816 971 L CB 1.473 43.583 42.059 0.086 0.000 1.278 971 L HN 0.382 nan 8.230 nan 0.000 0.431 972 D N 1.064 121.536 120.400 0.120 0.000 2.575 972 D HA 0.825 5.363 4.640 -0.170 0.000 0.236 972 D C -0.987 175.325 176.300 0.019 0.000 1.075 972 D CA -0.149 53.916 54.000 0.108 0.000 0.860 972 D CB 2.391 43.334 40.800 0.238 0.000 1.475 972 D HN 0.701 nan 8.370 nan 0.000 0.474 973 A N 0.491 123.319 122.820 0.012 0.000 2.589 973 A HA 0.643 4.861 4.320 -0.170 0.000 0.296 973 A C -0.271 177.309 177.584 -0.006 0.000 1.062 973 A CA -0.860 51.166 52.037 -0.018 0.000 0.686 973 A CB 0.982 19.970 19.000 -0.019 0.000 1.282 973 A HN 0.453 nan 8.150 nan 0.000 0.404 974 T N -0.695 113.853 114.554 -0.009 0.000 2.899 974 T HA 0.337 4.585 4.350 -0.170 0.000 0.295 974 T C 1.143 175.881 174.700 0.063 0.000 1.033 974 T CA 0.709 62.824 62.100 0.024 0.000 1.084 974 T CB 0.528 69.400 68.868 0.007 0.000 0.979 974 T HN 0.820 nan 8.240 nan 0.000 0.532 975 H N 2.367 121.437 119.070 -0.001 0.000 2.266 975 H HA -0.218 4.236 4.556 -0.171 0.000 0.286 975 H C 2.404 177.735 175.328 0.005 0.000 1.102 975 H CA 2.771 58.824 56.048 0.007 0.000 1.182 975 H CB -0.843 28.929 29.762 0.016 0.000 1.345 975 H HN 0.851 nan 8.280 nan 0.000 0.485 976 G N -1.867 107.095 108.800 0.270 0.000 2.442 976 G HA2 -0.296 3.562 3.960 -0.170 0.000 0.219 976 G HA3 -0.296 3.562 3.960 -0.170 0.000 0.219 976 G C 1.721 176.666 174.900 0.076 0.000 1.141 976 G CA 1.415 46.619 45.100 0.174 0.000 0.763 976 G HN 0.492 nan 8.290 nan 0.000 0.554 977 T N 1.289 115.869 114.554 0.043 0.000 2.896 977 T HA 0.174 4.421 4.350 -0.170 0.000 0.263 977 T C 2.801 177.499 174.700 -0.005 0.000 1.050 977 T CA 1.143 63.250 62.100 0.012 0.000 1.140 977 T CB -0.228 68.635 68.868 -0.007 0.000 0.877 977 T HN 0.364 nan 8.240 nan 0.000 0.457 978 A N 1.642 124.448 122.820 -0.023 0.000 1.933 978 A HA -0.026 4.192 4.320 -0.170 0.000 0.218 978 A C 2.204 179.751 177.584 -0.061 0.000 1.175 978 A CA 0.909 52.914 52.037 -0.052 0.000 0.628 978 A CB -0.632 18.314 19.000 -0.090 0.000 0.814 978 A HN 0.353 nan 8.150 nan 0.000 0.444 979 I N -0.029 120.501 120.570 -0.066 0.000 2.099 979 I HA -0.214 3.854 4.170 -0.170 0.000 0.239 979 I C 2.552 178.663 176.117 -0.010 0.000 1.066 979 I CA 1.438 62.712 61.300 -0.044 0.000 1.324 979 I CB -1.275 36.730 38.000 0.010 0.000 1.037 979 I HN 0.166 nan 8.210 nan 0.000 0.401 980 V N 1.065 120.983 119.914 0.006 0.000 2.324 980 V HA -0.282 3.736 4.120 -0.170 0.000 0.250 980 V C 2.595 178.695 176.094 0.010 0.000 1.060 980 V CA 1.559 63.867 62.300 0.013 0.000 1.042 980 V CB -0.565 31.270 31.823 0.020 0.000 0.650 980 V HN 0.349 nan 8.190 nan 0.000 0.450 981 L N 0.096 121.321 121.223 0.004 0.000 2.027 981 L HA -0.051 4.187 4.340 -0.170 0.000 0.206 981 L C 2.686 179.560 176.870 0.005 0.000 1.074 981 L CA 1.728 56.572 54.840 0.007 0.000 0.745 981 L CB -1.199 40.862 42.059 0.003 0.000 0.898 981 L HN 0.469 nan 8.230 nan 0.000 0.433 982 G N -0.026 108.772 108.800 -0.004 0.000 2.418 982 G HA2 -0.243 3.615 3.960 -0.170 0.000 0.217 982 G HA3 -0.243 3.615 3.960 -0.170 0.000 0.217 982 G C 1.323 176.224 174.900 0.002 0.000 1.158 982 G CA 0.574 45.671 45.100 -0.005 0.000 0.771 982 G HN 0.465 nan 8.290 nan 0.000 0.545 983 E N 0.566 120.768 120.200 0.003 0.000 2.333 983 E HA 0.046 4.293 4.350 -0.170 0.000 0.198 983 E C 2.399 179.006 176.600 0.012 0.000 1.007 983 E CA 0.596 57.001 56.400 0.008 0.000 0.845 983 E CB -0.072 29.634 29.700 0.011 0.000 0.766 983 E HN 0.456 nan 8.360 nan 0.000 0.507 984 A N 0.288 123.117 122.820 0.014 0.000 2.275 984 A HA 0.392 4.609 4.320 -0.170 0.000 0.212 984 A C 1.610 179.205 177.584 0.018 0.000 1.201 984 A CA 0.529 52.577 52.037 0.018 0.000 0.843 984 A CB 0.088 19.103 19.000 0.024 0.000 0.873 984 A HN 0.295 nan 8.150 nan 0.000 0.492 985 G N -0.958 107.851 108.800 0.014 0.000 2.148 985 G HA2 -0.157 3.700 3.960 -0.170 0.000 0.203 985 G HA3 -0.157 3.700 3.960 -0.170 0.000 0.203 985 G C -0.085 174.826 174.900 0.017 0.000 0.993 985 G CA 0.082 45.191 45.100 0.015 0.000 0.661 985 G HN 0.437 nan 8.290 nan 0.000 0.518 986 I N 1.317 121.897 120.570 0.016 0.000 2.411 986 I HA 0.291 4.359 4.170 -0.170 0.000 0.284 986 I C -0.495 175.629 176.117 0.012 0.000 1.012 986 I CA -0.670 60.641 61.300 0.019 0.000 1.119 986 I CB 1.529 39.543 38.000 0.023 0.000 1.261 986 I HN 0.103 nan 8.210 nan 0.000 0.448 987 N N 8.228 126.937 118.700 0.014 0.000 2.501 987 N HA 0.410 5.048 4.740 -0.170 0.000 0.245 987 N C -2.460 173.060 175.510 0.016 0.000 0.974 987 N CA -1.280 51.775 53.050 0.008 0.000 0.941 987 N CB 1.269 39.759 38.487 0.005 0.000 1.122 987 N HN 0.340 nan 8.380 nan 0.000 0.507 988 P HA 0.220 nan 4.420 nan 0.000 0.281 988 P C -0.716 176.598 177.300 0.024 0.000 1.281 988 P CA -0.652 62.464 63.100 0.027 0.000 0.811 988 P CB 1.146 32.858 31.700 0.020 0.000 1.154 989 R N 0.572 121.097 120.500 0.042 0.000 2.340 989 R HA 0.329 4.567 4.340 -0.170 0.000 0.300 989 R C -0.481 175.839 176.300 0.033 0.000 1.069 989 R CA -0.676 55.447 56.100 0.038 0.000 0.984 989 R CB 0.025 30.357 30.300 0.054 0.000 1.003 989 R HN 0.343 nan 8.270 nan 0.000 0.459 990 L N 5.825 127.056 121.223 0.015 0.000 2.319 990 L HA 0.285 4.522 4.340 -0.170 0.000 0.280 990 L C -0.746 176.144 176.870 0.032 0.000 1.099 990 L CA 0.137 54.982 54.840 0.008 0.000 0.828 990 L CB 1.426 43.472 42.059 -0.022 0.000 1.150 990 L HN 0.466 nan 8.230 nan 0.000 0.442 991 V N 5.862 125.802 119.914 0.044 0.000 2.769 991 V HA 0.530 4.548 4.120 -0.170 0.000 0.312 991 V C -0.203 175.921 176.094 0.049 0.000 1.058 991 V CA -0.728 61.608 62.300 0.061 0.000 0.952 991 V CB 2.184 34.068 31.823 0.102 0.000 1.019 991 V HN 0.971 nan 8.190 nan 0.000 0.445 992 N N 3.537 122.266 118.700 0.048 0.000 2.498 992 N HA 0.378 5.016 4.740 -0.170 0.000 0.287 992 N C -0.613 174.895 175.510 -0.004 0.000 1.097 992 N CA -0.665 52.401 53.050 0.026 0.000 0.973 992 N CB 1.239 39.743 38.487 0.028 0.000 1.153 992 N HN 0.636 nan 8.380 nan 0.000 0.472 993 K N 0.478 120.806 120.400 -0.121 0.000 2.233 993 K HA 0.103 4.320 4.320 -0.170 0.000 0.239 993 K C 0.907 177.321 176.600 -0.310 0.000 1.064 993 K CA -0.572 55.552 56.287 -0.272 0.000 0.884 993 K CB 0.468 32.678 32.500 -0.484 0.000 1.166 993 K HN 0.185 nan 8.250 nan 0.000 0.512 994 V N 0.988 120.660 119.914 -0.403 0.000 2.307 994 V HA -0.224 3.793 4.120 -0.170 0.000 0.245 994 V C 1.923 177.946 176.094 -0.118 0.000 1.045 994 V CA 2.051 64.167 62.300 -0.306 0.000 1.024 994 V CB -0.975 30.585 31.823 -0.438 0.000 0.651 994 V HN 0.761 nan 8.190 nan 0.000 0.449 995 H N -1.017 118.064 119.070 0.018 0.000 2.556 995 H HA 0.116 4.569 4.556 -0.171 0.000 0.268 995 H C 1.738 177.090 175.328 0.039 0.000 0.996 995 H CA 0.869 56.934 56.048 0.027 0.000 1.157 995 H CB -0.372 29.389 29.762 -0.002 0.000 1.355 995 H HN 0.472 nan 8.280 nan 0.000 0.597 996 E N -0.014 120.116 120.200 -0.117 0.000 2.216 996 E HA 0.293 4.541 4.350 -0.170 0.000 0.192 996 E C 0.775 177.399 176.600 0.039 0.000 0.973 996 E CA 0.438 56.847 56.400 0.015 0.000 0.851 996 E CB 0.542 30.204 29.700 -0.064 0.000 0.804 996 E HN 0.623 nan 8.360 nan 0.000 0.477 997 G N -0.228 108.594 108.800 0.037 0.000 2.351 997 G HA2 0.217 4.075 3.960 -0.170 0.000 0.279 997 G HA3 0.217 4.075 3.960 -0.170 0.000 0.279 997 G C -1.509 173.372 174.900 -0.033 0.000 1.297 997 G CA -1.033 44.077 45.100 0.017 0.000 0.886 997 G HN -0.028 nan 8.290 nan 0.000 0.493 998 R N 0.288 120.748 120.500 -0.066 0.000 2.651 998 R HA 0.608 4.846 4.340 -0.170 0.000 0.278 998 R C -2.425 173.818 176.300 -0.096 0.000 1.010 998 R CA -1.290 54.724 56.100 -0.143 0.000 0.896 998 R CB 2.199 32.389 30.300 -0.183 0.000 1.211 998 R HN 0.492 nan 8.270 nan 0.000 0.456 999 P HA 0.188 nan 4.420 nan 0.000 0.277 999 P C -0.942 176.267 177.300 -0.152 0.000 1.271 999 P CA -0.421 62.547 63.100 -0.219 0.000 0.795 999 P CB 0.515 32.117 31.700 -0.164 0.000 1.101 1000 H N -1.337 117.720 119.070 -0.021 0.000 2.771 1000 H HA 0.291 4.746 4.556 -0.169 0.000 0.344 1000 H C 1.018 176.347 175.328 0.001 0.000 1.260 1000 H CA -0.888 55.144 56.048 -0.027 0.000 1.276 1000 H CB 0.745 30.471 29.762 -0.060 0.000 1.881 1000 H HN 0.185 nan 8.280 nan 0.000 0.615 1001 I N -1.718 119.003 120.570 0.252 0.000 2.381 1001 I HA -0.297 3.771 4.170 -0.170 0.000 0.255 1001 I C 2.176 178.418 176.117 0.209 0.000 1.140 1001 I CA 1.399 62.817 61.300 0.197 0.000 1.404 1001 I CB -0.813 37.215 38.000 0.046 0.000 1.075 1001 I HN 0.553 nan 8.210 nan 0.000 0.433 1002 Q N 1.212 121.157 119.800 0.243 0.000 2.096 1002 Q HA -0.181 4.057 4.340 -0.170 0.000 0.197 1002 Q C 1.716 177.815 176.000 0.164 0.000 0.964 1002 Q CA 1.867 57.747 55.803 0.128 0.000 0.838 1002 Q CB -0.272 28.403 28.738 -0.105 0.000 0.906 1002 Q HN 0.630 nan 8.270 nan 0.000 0.444 1003 D N 0.521 121.102 120.400 0.302 0.000 2.084 1003 D HA -0.165 4.372 4.640 -0.170 0.000 0.194 1003 D C 2.076 178.361 176.300 -0.026 0.000 0.990 1003 D CA 1.149 55.182 54.000 0.055 0.000 0.826 1003 D CB -0.117 40.620 40.800 -0.104 0.000 0.971 1003 D HN 0.303 nan 8.370 nan 0.000 0.453 1004 R N 0.442 120.950 120.500 0.014 0.000 2.091 1004 R HA -0.070 4.168 4.340 -0.170 0.000 0.238 1004 R C 2.657 178.890 176.300 -0.112 0.000 1.136 1004 R CA 0.698 56.743 56.100 -0.092 0.000 0.959 1004 R CB -0.403 29.834 30.300 -0.104 0.000 0.856 1004 R HN 0.262 nan 8.270 nan 0.000 0.437 1005 I N 1.378 121.986 120.570 0.063 0.000 2.127 1005 I HA -0.329 3.739 4.170 -0.170 0.000 0.241 1005 I C 2.727 178.689 176.117 -0.258 0.000 1.075 1005 I CA 1.514 62.855 61.300 0.068 0.000 1.334 1005 I CB -0.345 37.736 38.000 0.134 0.000 1.040 1005 I HN 0.173 nan 8.210 nan 0.000 0.405 1006 K N 1.605 121.747 120.400 -0.430 0.000 2.063 1006 K HA -0.217 4.000 4.320 -0.170 0.000 0.208 1006 K C 1.424 177.676 176.600 -0.580 0.000 1.048 1006 K CA 2.270 57.995 56.287 -0.937 0.000 0.928 1006 K CB -0.296 31.887 32.500 -0.529 0.000 0.713 1006 K HN 0.375 nan 8.250 nan 0.000 0.442 1007 N N -0.199 118.320 118.700 -0.301 0.000 2.571 1007 N HA 0.046 4.684 4.740 -0.170 0.000 0.189 1007 N C 0.237 175.650 175.510 -0.162 0.000 1.154 1007 N CA 0.560 53.492 53.050 -0.197 0.000 0.907 1007 N CB 0.421 38.821 38.487 -0.145 0.000 0.977 1007 N HN 0.470 nan 8.380 nan 0.000 0.449 1008 G N 0.957 109.651 108.800 -0.176 0.000 2.256 1008 G HA2 -0.283 3.575 3.960 -0.170 0.000 0.272 1008 G HA3 -0.283 3.575 3.960 -0.170 0.000 0.272 1008 G C 0.586 175.424 174.900 -0.104 0.000 1.076 1008 G CA -0.015 45.037 45.100 -0.079 0.000 0.882 1008 G HN 0.386 nan 8.290 nan 0.000 0.497 1009 E N -1.539 118.521 120.200 -0.233 0.000 2.216 1009 E HA 0.037 4.284 4.350 -0.170 0.000 0.192 1009 E C 0.280 176.589 176.600 -0.484 0.000 0.988 1009 E CA 0.844 56.986 56.400 -0.429 0.000 0.834 1009 E CB 0.225 29.511 29.700 -0.690 0.000 0.772 1009 E HN 0.678 nan 8.360 nan 0.000 0.479 1010 Y N -0.622 119.709 120.300 0.051 0.000 2.549 1010 Y HA 0.133 4.581 4.550 -0.170 0.000 0.339 1010 Y C 1.387 177.360 175.900 0.122 0.000 1.053 1010 Y CA -0.624 57.530 58.100 0.090 0.000 1.105 1010 Y CB 1.661 40.160 38.460 0.066 0.000 1.258 1010 Y HN -0.181 nan 8.280 nan 0.000 0.478 1011 T N -2.874 111.906 114.554 0.376 0.000 2.985 1011 T HA 0.230 4.477 4.350 -0.170 0.000 0.254 1011 T C -0.705 174.240 174.700 0.408 0.000 1.021 1011 T CA 0.099 62.381 62.100 0.304 0.000 0.957 1011 T CB -0.067 68.903 68.868 0.169 0.000 1.047 1011 T HN 0.467 nan 8.240 nan 0.000 0.511 1012 Y N 0.274 120.710 120.300 0.227 0.000 2.519 1012 Y HA 0.657 5.105 4.550 -0.171 0.000 0.336 1012 Y C -2.351 173.560 175.900 0.017 0.000 1.089 1012 Y CA -2.581 55.588 58.100 0.116 0.000 1.025 1012 Y CB 1.485 39.926 38.460 -0.032 0.000 1.318 1012 Y HN 0.126 nan 8.280 nan 0.000 0.452 1013 I N 6.920 126.979 120.570 -0.852 0.000 2.499 1013 I HA 0.406 4.474 4.170 -0.170 0.000 0.288 1013 I C -1.421 174.179 176.117 -0.861 0.000 1.048 1013 I CA -0.767 60.095 61.300 -0.730 0.000 1.062 1013 I CB 1.998 39.787 38.000 -0.352 0.000 1.238 1013 I HN 0.526 nan 8.210 nan 0.000 0.426 1014 I N 7.381 127.550 120.570 -0.667 0.000 2.355 1014 I HA 0.431 4.498 4.170 -0.170 0.000 0.288 1014 I C -0.822 175.164 176.117 -0.217 0.000 0.999 1014 I CA -0.015 61.063 61.300 -0.370 0.000 1.163 1014 I CB 0.904 38.767 38.000 -0.228 0.000 1.316 1014 I HN 0.604 nan 8.210 nan 0.000 0.454 1015 N N 5.711 124.335 118.700 -0.128 0.000 2.549 1015 N HA 0.334 4.972 4.740 -0.170 0.000 0.281 1015 N C -1.422 174.060 175.510 -0.046 0.000 1.084 1015 N CA -0.255 52.734 53.050 -0.103 0.000 0.862 1015 N CB 1.386 39.788 38.487 -0.141 0.000 1.333 1015 N HN 0.666 nan 8.380 nan 0.000 0.523 1016 T N 0.360 114.893 114.554 -0.036 0.000 2.885 1016 T HA 0.670 4.918 4.350 -0.170 0.000 0.285 1016 T C -0.152 174.536 174.700 -0.020 0.000 1.019 1016 T CA -0.294 61.802 62.100 -0.006 0.000 1.010 1016 T CB 2.004 70.885 68.868 0.021 0.000 1.022 1016 T HN 0.257 nan 8.240 nan 0.000 0.466 1017 T N 1.152 115.697 114.554 -0.016 0.000 2.865 1017 T HA 0.759 5.007 4.350 -0.170 0.000 0.294 1017 T C -0.898 173.777 174.700 -0.043 0.000 1.119 1017 T CA -0.881 61.196 62.100 -0.039 0.000 1.007 1017 T CB 1.895 70.734 68.868 -0.049 0.000 1.225 1017 T HN 0.698 nan 8.240 nan 0.000 0.515 1018 S N 0.150 115.786 115.700 -0.106 0.000 2.545 1018 S HA 0.635 5.003 4.470 -0.170 0.000 0.259 1018 S C -0.596 173.780 174.600 -0.373 0.000 1.092 1018 S CA 0.036 58.106 58.200 -0.216 0.000 1.054 1018 S CB 0.459 63.521 63.200 -0.230 0.000 1.146 1018 S HN 1.439 nan 8.310 nan 0.000 0.447 1019 G N 2.881 111.479 108.800 -0.337 0.000 2.801 1019 G HA2 0.028 3.885 3.960 -0.170 0.000 0.648 1019 G HA3 0.028 3.885 3.960 -0.170 0.000 0.648 1019 G C -0.123 174.717 174.900 -0.099 0.000 1.415 1019 G CA -0.740 44.193 45.100 -0.278 0.000 0.887 1019 G HN 0.529 nan 8.290 nan 0.000 0.627 1020 R N 0.369 120.851 120.500 -0.029 0.000 2.154 1020 R HA -0.076 4.162 4.340 -0.170 0.000 0.248 1020 R C 2.627 178.913 176.300 -0.023 0.000 1.155 1020 R CA 2.233 58.331 56.100 -0.003 0.000 0.979 1020 R CB -0.113 30.206 30.300 0.031 0.000 0.869 1020 R HN 0.511 nan 8.270 nan 0.000 0.452 1021 R N -0.902 119.574 120.500 -0.039 0.000 2.055 1021 R HA 0.109 4.347 4.340 -0.170 0.000 0.226 1021 R C 1.953 178.222 176.300 -0.052 0.000 1.135 1021 R CA 1.348 57.423 56.100 -0.042 0.000 0.959 1021 R CB -0.540 29.733 30.300 -0.045 0.000 0.854 1021 R HN 0.279 nan 8.270 nan 0.000 0.431 1022 A N 1.143 123.920 122.820 -0.070 0.000 1.978 1022 A HA -0.136 4.082 4.320 -0.170 0.000 0.220 1022 A C 2.247 179.795 177.584 -0.060 0.000 1.170 1022 A CA 1.197 53.193 52.037 -0.068 0.000 0.636 1022 A CB -0.476 18.470 19.000 -0.090 0.000 0.810 1022 A HN 0.262 nan 8.150 nan 0.000 0.448 1023 I N -0.702 119.832 120.570 -0.060 0.000 2.133 1023 I HA -0.241 3.826 4.170 -0.170 0.000 0.238 1023 I C 2.448 178.536 176.117 -0.050 0.000 1.074 1023 I CA 1.636 62.904 61.300 -0.053 0.000 1.342 1023 I CB -0.594 37.381 38.000 -0.041 0.000 1.053 1023 I HN 0.392 nan 8.210 nan 0.000 0.404 1024 E N 0.833 121.009 120.200 -0.040 0.000 2.219 1024 E HA -0.255 3.993 4.350 -0.170 0.000 0.198 1024 E C 1.534 178.111 176.600 -0.037 0.000 0.998 1024 E CA 1.448 57.827 56.400 -0.036 0.000 0.818 1024 E CB -0.119 29.566 29.700 -0.026 0.000 0.741 1024 E HN 0.498 nan 8.360 nan 0.000 0.477 1025 D N -0.375 120.003 120.400 -0.036 0.000 2.183 1025 D HA -0.079 4.459 4.640 -0.170 0.000 0.203 1025 D C 1.844 178.125 176.300 -0.032 0.000 0.969 1025 D CA 1.210 55.196 54.000 -0.024 0.000 0.842 1025 D CB -0.091 40.699 40.800 -0.017 0.000 0.957 1025 D HN 0.119 nan 8.370 nan 0.000 0.484 1026 S N -0.163 115.505 115.700 -0.053 0.000 2.548 1026 S HA 0.047 4.414 4.470 -0.170 0.000 0.215 1026 S C 1.729 176.267 174.600 -0.104 0.000 0.976 1026 S CA -0.392 57.762 58.200 -0.077 0.000 0.908 1026 S CB 0.278 63.429 63.200 -0.081 0.000 0.781 1026 S HN 0.103 nan 8.310 nan 0.000 0.519 1027 R N 1.574 122.019 120.500 -0.092 0.000 2.154 1027 R HA -0.125 4.112 4.340 -0.170 0.000 0.248 1027 R C 1.966 178.195 176.300 -0.120 0.000 1.155 1027 R CA 1.758 57.795 56.100 -0.105 0.000 0.979 1027 R CB -0.761 29.494 30.300 -0.076 0.000 0.869 1027 R HN 0.417 nan 8.270 nan 0.000 0.452 1028 V N 0.705 120.556 119.914 -0.106 0.000 2.667 1028 V HA -0.136 3.882 4.120 -0.170 0.000 0.252 1028 V C 2.109 178.127 176.094 -0.126 0.000 1.065 1028 V CA 1.339 63.576 62.300 -0.106 0.000 1.083 1028 V CB -0.148 31.613 31.823 -0.104 0.000 0.692 1028 V HN 0.307 nan 8.190 nan 0.000 0.468 1029 I N -0.023 120.456 120.570 -0.152 0.000 2.133 1029 I HA -0.211 3.856 4.170 -0.170 0.000 0.238 1029 I C 2.789 178.752 176.117 -0.258 0.000 1.074 1029 I CA 1.951 63.145 61.300 -0.177 0.000 1.342 1029 I CB -0.468 37.423 38.000 -0.183 0.000 1.053 1029 I HN 0.220 nan 8.210 nan 0.000 0.404 1030 R N 0.593 120.886 120.500 -0.344 0.000 2.096 1030 R HA -0.172 4.066 4.340 -0.170 0.000 0.240 1030 R C 2.403 178.452 176.300 -0.419 0.000 1.139 1030 R CA 1.431 57.195 56.100 -0.560 0.000 0.952 1030 R CB -0.501 29.520 30.300 -0.465 0.000 0.854 1030 R HN 0.414 nan 8.270 nan 0.000 0.436 1031 R N 0.075 120.434 120.500 -0.235 0.000 2.115 1031 R HA -0.014 4.224 4.340 -0.170 0.000 0.230 1031 R C 2.392 178.632 176.300 -0.100 0.000 1.111 1031 R CA 1.251 57.263 56.100 -0.146 0.000 0.976 1031 R CB -0.244 30.000 30.300 -0.094 0.000 0.870 1031 R HN 0.119 nan 8.270 nan 0.000 0.445 1032 S N 0.841 116.504 115.700 -0.062 0.000 2.371 1032 S HA -0.055 4.313 4.470 -0.170 0.000 0.224 1032 S C 2.097 176.792 174.600 0.159 0.000 1.029 1032 S CA 1.083 59.341 58.200 0.097 0.000 0.978 1032 S CB -0.054 63.231 63.200 0.142 0.000 0.833 1032 S HN 0.471 nan 8.310 nan 0.000 0.466 1033 A N 1.258 124.078 122.820 -0.001 0.000 1.877 1033 A HA -0.061 4.156 4.320 -0.170 0.000 0.216 1033 A C 2.122 179.779 177.584 0.121 0.000 1.186 1033 A CA 1.458 53.522 52.037 0.043 0.000 0.620 1033 A CB -0.778 18.121 19.000 -0.168 0.000 0.822 1033 A HN 0.439 nan 8.150 nan 0.000 0.443 1034 L N -0.158 121.086 121.223 0.035 0.000 2.017 1034 L HA -0.209 4.028 4.340 -0.170 0.000 0.208 1034 L C 2.627 179.515 176.870 0.031 0.000 1.073 1034 L CA 2.722 57.654 54.840 0.154 0.000 0.745 1034 L CB -0.670 41.465 42.059 0.128 0.000 0.894 1034 L HN 0.620 nan 8.230 nan 0.000 0.432 1035 Q N -1.598 118.148 119.800 -0.090 0.000 2.181 1035 Q HA -0.248 3.990 4.340 -0.170 0.000 0.205 1035 Q C 1.284 177.010 176.000 -0.457 0.000 0.980 1035 Q CA 1.923 57.552 55.803 -0.290 0.000 0.862 1035 Q CB -0.239 28.244 28.738 -0.424 0.000 0.905 1035 Q HN 0.698 nan 8.270 nan 0.000 0.429 1036 Y N 0.292 120.625 120.300 0.055 0.000 2.468 1036 Y HA 0.176 4.625 4.550 -0.169 0.000 0.268 1036 Y C -0.013 175.939 175.900 0.087 0.000 1.177 1036 Y CA -0.193 57.946 58.100 0.064 0.000 1.265 1036 Y CB 0.826 39.325 38.460 0.064 0.000 1.103 1036 Y HN -0.007 nan 8.280 nan 0.000 0.522 1037 K N -1.463 119.039 120.400 0.171 0.000 3.230 1037 K HA -0.149 4.069 4.320 -0.170 0.000 0.285 1037 K C -0.641 176.086 176.600 0.211 0.000 1.196 1037 K CA 0.427 56.816 56.287 0.169 0.000 0.838 1037 K CB -2.622 29.958 32.500 0.133 0.000 1.262 1037 K HN 0.135 nan 8.250 nan 0.000 0.492 1038 V N 1.594 121.659 119.914 0.251 0.000 2.432 1038 V HA 0.130 4.148 4.120 -0.170 0.000 0.275 1038 V C 0.851 177.120 176.094 0.292 0.000 1.043 1038 V CA -0.671 61.790 62.300 0.267 0.000 0.925 1038 V CB 1.068 33.047 31.823 0.260 0.000 0.985 1038 V HN 0.312 nan 8.190 nan 0.000 0.466 1039 H N 5.189 124.385 119.070 0.210 0.000 2.964 1039 H HA 0.337 4.792 4.556 -0.169 0.000 0.328 1039 H C -0.657 174.789 175.328 0.196 0.000 1.030 1039 H CA 0.210 56.352 56.048 0.158 0.000 1.445 1039 H CB 0.212 30.078 29.762 0.175 0.000 1.449 1039 H HN 0.684 nan 8.280 nan 0.000 0.581 1040 Y N 1.539 121.544 120.300 -0.493 0.000 2.524 1040 Y HA 0.486 4.931 4.550 -0.175 0.000 0.347 1040 Y C -1.448 174.250 175.900 -0.336 0.000 1.005 1040 Y CA -1.425 56.465 58.100 -0.350 0.000 1.025 1040 Y CB 1.357 39.669 38.460 -0.248 0.000 1.275 1040 Y HN 0.442 nan 8.280 nan 0.000 0.460 1041 D N 1.190 121.563 120.400 -0.044 0.000 2.350 1041 D HA 0.306 4.844 4.640 -0.170 0.000 0.245 1041 D C 0.163 176.529 176.300 0.110 0.000 1.036 1041 D CA -0.361 53.662 54.000 0.039 0.000 0.848 1041 D CB 2.223 43.142 40.800 0.199 0.000 1.307 1041 D HN 0.809 nan 8.370 nan 0.000 0.469 1042 T N -2.854 111.775 114.554 0.125 0.000 3.129 1042 T HA 0.200 4.447 4.350 -0.170 0.000 0.267 1042 T C 0.511 175.271 174.700 0.099 0.000 1.018 1042 T CA -0.264 61.908 62.100 0.119 0.000 0.903 1042 T CB -0.157 68.796 68.868 0.142 0.000 1.067 1042 T HN 0.397 nan 8.240 nan 0.000 0.549 1043 T N -0.959 113.660 114.554 0.110 0.000 2.909 1043 T HA 0.618 4.866 4.350 -0.170 0.000 0.299 1043 T C 0.486 175.258 174.700 0.120 0.000 1.073 1043 T CA -0.882 61.291 62.100 0.121 0.000 0.999 1043 T CB 1.852 70.808 68.868 0.147 0.000 1.098 1043 T HN -0.073 nan 8.240 nan 0.000 0.477 1044 L N 1.973 123.273 121.223 0.128 0.000 2.156 1044 L HA 0.117 4.355 4.340 -0.170 0.000 0.208 1044 L C 2.162 179.188 176.870 0.259 0.000 1.095 1044 L CA 1.584 56.506 54.840 0.138 0.000 0.770 1044 L CB -0.852 41.319 42.059 0.187 0.000 0.914 1044 L HN 0.695 nan 8.230 nan 0.000 0.439 1045 N N -0.118 118.736 118.700 0.258 0.000 2.104 1045 N HA -0.137 4.500 4.740 -0.170 0.000 0.190 1045 N C 1.793 177.435 175.510 0.220 0.000 1.024 1045 N CA 1.467 54.679 53.050 0.270 0.000 0.853 1045 N CB -0.791 37.818 38.487 0.203 0.000 1.008 1045 N HN 0.461 nan 8.380 nan 0.000 0.424 1046 G N -0.232 108.677 108.800 0.181 0.000 2.422 1046 G HA2 -0.149 3.708 3.960 -0.170 0.000 0.218 1046 G HA3 -0.149 3.708 3.960 -0.170 0.000 0.218 1046 G C 1.574 176.557 174.900 0.139 0.000 1.146 1046 G CA 1.052 46.251 45.100 0.165 0.000 0.769 1046 G HN 0.443 nan 8.290 nan 0.000 0.547 1047 G N 0.246 109.121 108.800 0.124 0.000 2.408 1047 G HA2 -0.076 3.781 3.960 -0.170 0.000 0.217 1047 G HA3 -0.076 3.781 3.960 -0.170 0.000 0.217 1047 G C 1.549 176.411 174.900 -0.063 0.000 1.150 1047 G CA 0.479 45.619 45.100 0.067 0.000 0.776 1047 G HN 0.327 nan 8.290 nan 0.000 0.542 1048 F N 1.789 121.741 119.950 0.004 0.000 2.171 1048 F HA 0.063 4.487 4.527 -0.172 0.000 0.300 1048 F C 2.988 178.732 175.800 -0.094 0.000 1.090 1048 F CA 0.924 58.906 58.000 -0.030 0.000 1.293 1048 F CB -0.283 38.713 39.000 -0.007 0.000 1.013 1048 F HN 0.238 nan 8.300 nan 0.000 0.486 1049 A N -0.594 122.216 122.820 -0.017 0.000 1.877 1049 A HA -0.176 4.042 4.320 -0.170 0.000 0.216 1049 A C 2.252 179.608 177.584 -0.381 0.000 1.186 1049 A CA 2.244 54.033 52.037 -0.412 0.000 0.620 1049 A CB -1.335 17.001 19.000 -1.106 0.000 0.822 1049 A HN 0.323 nan 8.150 nan 0.000 0.443 1050 T N 0.365 114.820 114.554 -0.166 0.000 2.699 1050 T HA -0.107 4.141 4.350 -0.170 0.000 0.268 1050 T C 2.167 176.775 174.700 -0.154 0.000 1.036 1050 T CA 1.766 63.828 62.100 -0.064 0.000 1.147 1050 T CB -0.447 68.359 68.868 -0.103 0.000 0.862 1050 T HN 0.612 nan 8.240 nan 0.000 0.446 1051 A N 1.587 124.308 122.820 -0.164 0.000 1.873 1051 A HA -0.048 4.170 4.320 -0.170 0.000 0.215 1051 A C 2.334 179.895 177.584 -0.037 0.000 1.186 1051 A CA 1.340 53.294 52.037 -0.138 0.000 0.616 1051 A CB -0.574 18.363 19.000 -0.106 0.000 0.823 1051 A HN 0.282 nan 8.150 nan 0.000 0.442 1052 M N -0.185 119.420 119.600 0.009 0.000 2.073 1052 M HA -0.184 4.193 4.480 -0.170 0.000 0.258 1052 M C 2.486 178.799 176.300 0.021 0.000 1.070 1052 M CA 1.765 57.094 55.300 0.048 0.000 1.103 1052 M CB -1.609 31.062 32.600 0.118 0.000 1.321 1052 M HN 0.486 nan 8.290 nan 0.000 0.405 1053 A N -0.124 122.699 122.820 0.005 0.000 2.139 1053 A HA -0.158 4.060 4.320 -0.170 0.000 0.221 1053 A C 2.254 179.834 177.584 -0.006 0.000 1.159 1053 A CA 1.196 53.245 52.037 0.019 0.000 0.662 1053 A CB -1.047 18.026 19.000 0.123 0.000 0.796 1053 A HN 0.526 nan 8.150 nan 0.000 0.463 1054 L N -1.167 120.050 121.223 -0.010 0.000 2.275 1054 L HA -0.162 4.076 4.340 -0.170 0.000 0.215 1054 L C 2.020 178.901 176.870 0.018 0.000 1.119 1054 L CA 1.280 56.123 54.840 0.006 0.000 0.790 1054 L CB -0.440 41.638 42.059 0.033 0.000 0.919 1054 L HN 0.481 nan 8.230 nan 0.000 0.443 1055 N N -0.478 118.233 118.700 0.019 0.000 2.457 1055 N HA 0.036 4.674 4.740 -0.170 0.000 0.180 1055 N C 0.599 176.116 175.510 0.010 0.000 1.050 1055 N CA 0.278 53.341 53.050 0.023 0.000 0.906 1055 N CB 0.198 38.704 38.487 0.033 0.000 0.968 1055 N HN 0.260 nan 8.380 nan 0.000 0.445 1056 A N 0.145 122.963 122.820 -0.002 0.000 2.256 1056 A HA 0.394 4.612 4.320 -0.170 0.000 0.318 1056 A C -0.877 176.686 177.584 -0.035 0.000 1.103 1056 A CA -0.388 51.639 52.037 -0.016 0.000 0.860 1056 A CB 0.868 19.853 19.000 -0.025 0.000 1.182 1056 A HN 0.045 nan 8.150 nan 0.000 0.501 1057 D N 0.087 120.459 120.400 -0.046 0.000 2.421 1057 D HA 0.508 5.046 4.640 -0.170 0.000 0.254 1057 D C 0.798 177.043 176.300 -0.091 0.000 1.238 1057 D CA 0.217 54.175 54.000 -0.070 0.000 0.919 1057 D CB 1.241 42.004 40.800 -0.061 0.000 1.152 1057 D HN 0.485 nan 8.370 nan 0.000 0.552 1058 A N 2.564 125.312 122.820 -0.120 0.000 2.084 1058 A HA -0.147 4.070 4.320 -0.170 0.000 0.221 1058 A C 1.775 179.269 177.584 -0.150 0.000 1.161 1058 A CA 2.131 54.086 52.037 -0.138 0.000 0.653 1058 A CB -0.465 18.433 19.000 -0.169 0.000 0.802 1058 A HN 0.574 nan 8.150 nan 0.000 0.457 1059 T N -3.499 110.954 114.554 -0.168 0.000 3.105 1059 T HA 0.185 4.433 4.350 -0.170 0.000 0.253 1059 T C 1.291 175.916 174.700 -0.125 0.000 1.047 1059 T CA 0.697 62.692 62.100 -0.174 0.000 0.944 1059 T CB 0.137 68.864 68.868 -0.234 0.000 1.016 1059 T HN 0.579 nan 8.240 nan 0.000 0.544 1060 E N 1.598 121.741 120.200 -0.093 0.000 2.072 1060 E HA 0.004 4.251 4.350 -0.170 0.000 0.190 1060 E C 0.701 177.269 176.600 -0.054 0.000 0.982 1060 E CA 0.592 56.953 56.400 -0.065 0.000 0.803 1060 E CB 0.218 29.891 29.700 -0.045 0.000 0.755 1060 E HN 0.602 nan 8.360 nan 0.000 0.453 1061 K N 0.504 120.874 120.400 -0.049 0.000 2.513 1061 K HA 0.307 4.525 4.320 -0.170 0.000 0.251 1061 K C -1.061 175.523 176.600 -0.026 0.000 0.939 1061 K CA -0.733 55.535 56.287 -0.032 0.000 0.793 1061 K CB 2.184 34.677 32.500 -0.011 0.000 1.241 1061 K HN 0.000 nan 8.250 nan 0.000 0.431 1062 V N 2.098 122.007 119.914 -0.008 0.000 2.769 1062 V HA 0.762 4.779 4.120 -0.170 0.000 0.312 1062 V C -0.532 175.646 176.094 0.140 0.000 1.058 1062 V CA -0.789 61.543 62.300 0.054 0.000 0.952 1062 V CB 1.490 33.307 31.823 -0.011 0.000 1.019 1062 V HN 0.921 nan 8.190 nan 0.000 0.445 1063 I N 2.665 123.335 120.570 0.167 0.000 2.894 1063 I HA 0.696 4.764 4.170 -0.170 0.000 0.302 1063 I C 0.001 176.004 176.117 -0.190 0.000 1.188 1063 I CA -0.275 61.037 61.300 0.019 0.000 1.014 1063 I CB 2.572 40.517 38.000 -0.092 0.000 1.242 1063 I HN 1.105 nan 8.210 nan 0.000 0.430 1064 S N 4.083 119.526 115.700 -0.429 0.000 2.687 1064 S HA 0.373 4.741 4.470 -0.170 0.000 0.283 1064 S C 0.870 175.195 174.600 -0.459 0.000 1.170 1064 S CA -0.585 57.180 58.200 -0.725 0.000 1.008 1064 S CB 1.825 64.575 63.200 -0.750 0.000 1.026 1064 S HN 0.474 nan 8.310 nan 0.000 0.541 1065 V N 2.013 121.655 119.914 -0.453 0.000 2.343 1065 V HA -0.180 3.837 4.120 -0.170 0.000 0.247 1065 V C 2.694 178.481 176.094 -0.513 0.000 1.051 1065 V CA 2.110 64.120 62.300 -0.484 0.000 1.036 1065 V CB -1.440 30.127 31.823 -0.427 0.000 0.654 1065 V HN 0.846 nan 8.190 nan 0.000 0.451 1066 Q N 0.387 119.976 119.800 -0.352 0.000 2.061 1066 Q HA -0.216 4.022 4.340 -0.170 0.000 0.204 1066 Q C 2.192 178.109 176.000 -0.139 0.000 0.984 1066 Q CA 1.972 57.645 55.803 -0.217 0.000 0.846 1066 Q CB -0.409 28.238 28.738 -0.151 0.000 0.902 1066 Q HN 0.703 nan 8.270 nan 0.000 0.421 1067 E N 0.007 120.108 120.200 -0.165 0.000 2.085 1067 E HA -0.196 4.052 4.350 -0.170 0.000 0.194 1067 E C 1.983 178.548 176.600 -0.059 0.000 0.994 1067 E CA 1.322 57.663 56.400 -0.099 0.000 0.801 1067 E CB -0.189 29.441 29.700 -0.117 0.000 0.743 1067 E HN 0.368 nan 8.360 nan 0.000 0.453 1068 M N -0.142 119.373 119.600 -0.141 0.000 2.082 1068 M HA -0.224 4.154 4.480 -0.170 0.000 0.258 1068 M C 2.060 178.520 176.300 0.267 0.000 1.069 1068 M CA 1.697 56.939 55.300 -0.097 0.000 1.102 1068 M CB -0.495 31.914 32.600 -0.319 0.000 1.336 1068 M HN 0.263 nan 8.290 nan 0.000 0.404 1069 H N -1.003 118.084 119.070 0.029 0.000 2.495 1069 H HA 0.058 4.512 4.556 -0.171 0.000 0.287 1069 H C 2.065 177.417 175.328 0.040 0.000 1.033 1069 H CA 0.541 56.622 56.048 0.056 0.000 1.307 1069 H CB 0.132 29.903 29.762 0.016 0.000 1.401 1069 H HN 0.445 nan 8.280 nan 0.000 0.555 1070 A N 0.771 123.682 122.820 0.151 0.000 2.119 1070 A HA -0.113 4.105 4.320 -0.170 0.000 0.217 1070 A C 2.038 179.668 177.584 0.077 0.000 1.153 1070 A CA 0.817 52.902 52.037 0.081 0.000 0.692 1070 A CB -0.063 18.962 19.000 0.041 0.000 0.799 1070 A HN 0.419 nan 8.150 nan 0.000 0.458 1071 Q N -0.564 119.306 119.800 0.116 0.000 2.424 1071 Q HA 0.196 4.434 4.340 -0.170 0.000 0.204 1071 Q C -0.183 175.869 176.000 0.087 0.000 0.933 1071 Q CA 0.044 55.917 55.803 0.116 0.000 0.929 1071 Q CB 0.129 28.984 28.738 0.194 0.000 1.037 1071 Q HN 0.614 nan 8.270 nan 0.000 0.511 1072 I N 1.954 122.571 120.570 0.079 0.000 2.416 1072 I HA 0.067 4.135 4.170 -0.170 0.000 0.288 1072 I C 0.189 176.302 176.117 -0.005 0.000 1.051 1072 I CA -0.114 61.192 61.300 0.010 0.000 1.375 1072 I CB 0.671 38.658 38.000 -0.023 0.000 1.407 1072 I HN -0.141 nan 8.210 nan 0.000 0.516 1073 K N 0.000 120.387 120.400 -0.022 0.000 2.780 1073 K HA 0.000 4.218 4.320 -0.170 0.000 0.191 1073 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1073 K CB 0.000 32.489 32.500 -0.017 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543