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 1c3o_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 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 P HA 0.266 nan 4.420 nan 0.000 0.329 2 P C -1.294 175.723 177.300 -0.472 0.000 1.319 2 P CA -0.412 62.541 63.100 -0.245 0.000 0.742 2 P CB -0.010 31.610 31.700 -0.133 0.000 1.564 3 K N 0.196 120.188 120.400 -0.679 0.000 2.382 3 K HA 0.139 4.350 4.320 -0.181 0.000 0.275 3 K C 0.168 176.685 176.600 -0.138 0.000 1.009 3 K CA -0.250 55.734 56.287 -0.505 0.000 0.970 3 K CB 0.446 32.736 32.500 -0.351 0.000 0.934 3 K HN 0.147 nan 8.250 nan 0.000 0.479 4 R N 1.337 121.823 120.500 -0.024 0.000 2.585 4 R HA -0.046 4.186 4.340 -0.181 0.000 0.275 4 R C 0.690 177.044 176.300 0.090 0.000 1.018 4 R CA 0.888 57.010 56.100 0.036 0.000 1.072 4 R CB 0.435 30.764 30.300 0.047 0.000 0.953 4 R HN 0.979 nan 8.270 nan 0.000 0.419 5 T N -2.678 111.903 114.554 0.045 0.000 2.990 5 T HA -0.039 4.203 4.350 -0.181 0.000 0.250 5 T C 0.842 175.571 174.700 0.048 0.000 1.041 5 T CA 0.095 62.216 62.100 0.036 0.000 1.010 5 T CB 0.159 69.030 68.868 0.004 0.000 1.003 5 T HN 0.659 nan 8.240 nan 0.000 0.499 6 D N 1.307 121.736 120.400 0.049 0.000 2.352 6 D HA 0.133 4.664 4.640 -0.181 0.000 0.232 6 D C 0.299 176.639 176.300 0.068 0.000 1.055 6 D CA -0.167 53.861 54.000 0.046 0.000 0.891 6 D CB -0.340 40.479 40.800 0.032 0.000 0.897 6 D HN 0.463 nan 8.370 nan 0.000 0.529 7 I N -0.165 120.472 120.570 0.111 0.000 2.533 7 I HA 0.237 4.299 4.170 -0.181 0.000 0.290 7 I C 0.832 177.092 176.117 0.237 0.000 1.056 7 I CA -0.718 60.674 61.300 0.153 0.000 1.057 7 I CB 2.620 40.700 38.000 0.134 0.000 1.240 7 I HN -0.304 nan 8.210 nan 0.000 0.423 8 K N 2.233 122.747 120.400 0.190 0.000 2.485 8 K HA 0.228 4.439 4.320 -0.181 0.000 0.200 8 K C 0.305 177.031 176.600 0.210 0.000 1.344 8 K CA 0.552 56.941 56.287 0.171 0.000 0.948 8 K CB 0.878 33.426 32.500 0.079 0.000 1.454 8 K HN 0.681 nan 8.250 nan 0.000 0.502 9 S N 0.814 116.602 115.700 0.147 0.000 2.472 9 S HA 0.687 5.049 4.470 -0.181 0.000 0.303 9 S C -0.214 174.440 174.600 0.090 0.000 1.099 9 S CA -0.806 57.466 58.200 0.119 0.000 1.077 9 S CB 1.536 64.784 63.200 0.081 0.000 1.031 9 S HN 0.087 nan 8.310 nan 0.000 0.487 10 I N 2.544 123.160 120.570 0.076 0.000 2.545 10 I HA 0.436 4.497 4.170 -0.181 0.000 0.292 10 I C -1.040 175.095 176.117 0.029 0.000 1.040 10 I CA -0.834 60.483 61.300 0.028 0.000 1.068 10 I CB 2.020 40.003 38.000 -0.027 0.000 1.251 10 I HN 0.631 nan 8.210 nan 0.000 0.424 11 L N 7.698 128.931 121.223 0.016 0.000 2.272 11 L HA 0.606 4.838 4.340 -0.181 0.000 0.289 11 L C -0.873 176.002 176.870 0.009 0.000 1.032 11 L CA 0.092 54.942 54.840 0.017 0.000 0.810 11 L CB 0.613 42.673 42.059 0.002 0.000 1.205 11 L HN 0.416 nan 8.230 nan 0.000 0.422 12 I N 6.230 126.810 120.570 0.017 0.000 2.339 12 I HA 0.283 4.344 4.170 -0.181 0.000 0.290 12 I C -0.522 175.602 176.117 0.012 0.000 0.994 12 I CA -0.574 60.733 61.300 0.011 0.000 1.191 12 I CB 1.286 39.295 38.000 0.015 0.000 1.343 12 I HN 0.466 nan 8.210 nan 0.000 0.458 13 L N 6.247 127.470 121.223 0.000 0.000 2.313 13 L HA 0.430 4.662 4.340 -0.181 0.000 0.282 13 L C 0.957 177.819 176.870 -0.013 0.000 1.092 13 L CA -0.264 54.571 54.840 -0.008 0.000 0.831 13 L CB 0.581 42.628 42.059 -0.020 0.000 1.159 13 L HN 0.679 nan 8.230 nan 0.000 0.442 14 G N 1.517 110.316 108.800 -0.003 0.000 2.528 14 G HA2 0.440 4.292 3.960 -0.181 0.000 0.289 14 G HA3 0.440 4.292 3.960 -0.181 0.000 0.289 14 G C 0.687 175.568 174.900 -0.032 0.000 1.192 14 G CA 0.085 45.188 45.100 0.005 0.000 0.921 14 G HN 0.764 nan 8.290 nan 0.000 0.512 15 A N -0.926 121.879 122.820 -0.026 0.000 2.081 15 A HA 0.561 4.773 4.320 -0.181 0.000 0.214 15 A C 1.580 179.147 177.584 -0.029 0.000 1.158 15 A CA 1.591 53.577 52.037 -0.085 0.000 0.724 15 A CB -0.805 18.140 19.000 -0.091 0.000 0.826 15 A HN 2.527 nan 8.150 nan 0.000 0.463 16 G N -0.977 107.828 108.800 0.008 0.000 2.627 16 G HA2 -0.047 3.805 3.960 -0.181 0.000 0.214 16 G HA3 -0.047 3.805 3.960 -0.181 0.000 0.214 16 G C -3.086 171.825 174.900 0.017 0.000 1.331 16 G CA -0.442 44.661 45.100 0.004 0.000 0.891 16 G HN 0.342 nan 8.290 nan 0.000 0.539 17 P HA 0.393 nan 4.420 nan 0.000 0.271 17 P C 0.374 177.681 177.300 0.011 0.000 1.218 17 P CA -0.280 62.818 63.100 -0.004 0.000 0.780 17 P CB 0.376 32.061 31.700 -0.025 0.000 0.901 18 I N 2.901 123.478 120.570 0.012 0.000 2.598 18 I HA 0.063 4.125 4.170 -0.181 0.000 0.284 18 I C 0.870 176.986 176.117 -0.002 0.000 1.140 18 I CA 0.121 61.434 61.300 0.022 0.000 1.420 18 I CB -0.176 37.835 38.000 0.017 0.000 1.387 18 I HN 0.185 nan 8.210 nan 0.000 0.553 19 V N 4.975 124.891 119.914 0.003 0.000 3.078 19 V HA 0.547 4.558 4.120 -0.181 0.000 0.311 19 V C -0.010 176.063 176.094 -0.035 0.000 1.138 19 V CA -1.197 61.086 62.300 -0.029 0.000 1.007 19 V CB 2.115 33.913 31.823 -0.041 0.000 1.045 19 V HN 0.456 nan 8.190 nan 0.000 0.432 20 I N 3.092 123.618 120.570 -0.074 0.000 2.742 20 I HA 0.384 4.446 4.170 -0.181 0.000 0.287 20 I C 1.499 177.566 176.117 -0.083 0.000 1.186 20 I CA 2.162 63.408 61.300 -0.090 0.000 1.417 20 I CB 0.437 38.348 38.000 -0.148 0.000 1.377 20 I HN 1.293 nan 8.210 nan 0.000 0.556 21 G N 4.831 113.597 108.800 -0.057 0.000 2.175 21 G HA2 -0.275 3.577 3.960 -0.181 0.000 0.244 21 G HA3 -0.275 3.577 3.960 -0.181 0.000 0.244 21 G C 0.249 175.186 174.900 0.061 0.000 0.982 21 G CA 0.113 45.190 45.100 -0.038 0.000 0.641 21 G HN 0.619 nan 8.290 nan 0.000 0.527 22 Q N -0.408 119.452 119.800 0.100 0.000 3.990 22 Q HA 0.619 4.851 4.340 -0.181 0.000 0.175 22 Q C 0.144 176.280 176.000 0.226 0.000 0.875 22 Q CA 0.458 56.421 55.803 0.267 0.000 0.761 22 Q CB 0.336 29.172 28.738 0.163 0.000 1.491 22 Q HN 0.952 nan 8.270 nan 0.000 0.457 23 A N -0.120 122.788 122.820 0.147 0.000 3.444 23 A HA 0.419 4.630 4.320 -0.181 0.000 0.189 23 A C 1.258 178.856 177.584 0.023 0.000 1.542 23 A CA -0.048 52.022 52.037 0.056 0.000 0.867 23 A CB -0.339 18.652 19.000 -0.016 0.000 1.712 23 A HN 0.788 nan 8.150 nan 0.000 0.556 24 C N 0.935 120.226 119.300 -0.016 0.000 2.396 24 C HA -0.159 4.193 4.460 -0.181 0.000 0.277 24 C C 2.578 177.537 174.990 -0.051 0.000 1.231 24 C CA 1.259 60.274 59.018 -0.006 0.000 1.775 24 C CB -1.510 26.229 27.740 -0.001 0.000 2.036 24 C HN 0.882 nan 8.230 nan 0.000 0.484 25 E N 1.459 121.529 120.200 -0.217 0.000 2.233 25 E HA -0.258 3.984 4.350 -0.181 0.000 0.199 25 E C 1.445 177.826 176.600 -0.365 0.000 1.004 25 E CA 1.790 57.991 56.400 -0.333 0.000 0.819 25 E CB -0.745 28.629 29.700 -0.544 0.000 0.738 25 E HN 0.669 nan 8.360 nan 0.000 0.478 26 F N 1.305 121.320 119.950 0.108 0.000 2.615 26 F HA 0.098 4.516 4.527 -0.182 0.000 0.297 26 F C 2.067 177.911 175.800 0.075 0.000 1.124 26 F CA 0.699 58.747 58.000 0.080 0.000 1.451 26 F CB -0.283 38.747 39.000 0.049 0.000 1.103 26 F HN 0.027 nan 8.300 nan 0.000 0.569 27 D N -0.675 119.841 120.400 0.193 0.000 2.120 27 D HA -0.223 4.308 4.640 -0.181 0.000 0.202 27 D C 2.210 178.593 176.300 0.139 0.000 0.972 27 D CA 1.060 55.153 54.000 0.154 0.000 0.837 27 D CB -0.353 40.528 40.800 0.136 0.000 0.989 27 D HN 0.252 nan 8.370 nan 0.000 0.469 28 Y N 1.192 121.502 120.300 0.016 0.000 2.097 28 Y HA -0.227 4.215 4.550 -0.180 0.000 0.282 28 Y C 2.379 178.288 175.900 0.015 0.000 1.152 28 Y CA 2.407 60.505 58.100 -0.004 0.000 1.136 28 Y CB -0.660 37.780 38.460 -0.033 0.000 0.975 28 Y HN -0.051 nan 8.280 nan 0.000 0.498 29 S N 0.209 115.841 115.700 -0.113 0.000 2.345 29 S HA -0.118 4.244 4.470 -0.181 0.000 0.220 29 S C 2.288 176.840 174.600 -0.079 0.000 1.031 29 S CA 1.125 59.221 58.200 -0.173 0.000 0.996 29 S CB -1.311 61.929 63.200 0.067 0.000 0.882 29 S HN 0.729 nan 8.310 nan 0.000 0.445 30 G N 1.653 110.479 108.800 0.043 0.000 2.469 30 G HA2 -0.151 3.701 3.960 -0.181 0.000 0.219 30 G HA3 -0.151 3.701 3.960 -0.181 0.000 0.219 30 G C 1.560 176.457 174.900 -0.004 0.000 1.150 30 G CA 1.082 46.207 45.100 0.043 0.000 0.763 30 G HN 0.595 nan 8.290 nan 0.000 0.561 31 A N 0.191 122.998 122.820 -0.023 0.000 1.902 31 A HA -0.077 4.134 4.320 -0.181 0.000 0.217 31 A C 2.344 179.877 177.584 -0.084 0.000 1.181 31 A CA 1.890 53.905 52.037 -0.035 0.000 0.623 31 A CB -0.417 18.571 19.000 -0.021 0.000 0.818 31 A HN 0.458 nan 8.150 nan 0.000 0.443 32 Q N -0.750 118.944 119.800 -0.176 0.000 2.124 32 Q HA -0.121 4.111 4.340 -0.181 0.000 0.202 32 Q C 2.454 178.392 176.000 -0.104 0.000 0.977 32 Q CA 1.312 56.999 55.803 -0.194 0.000 0.850 32 Q CB -0.361 28.173 28.738 -0.340 0.000 0.901 32 Q HN 0.694 nan 8.270 nan 0.000 0.429 33 A N 0.419 123.193 122.820 -0.077 0.000 1.877 33 A HA -0.190 4.022 4.320 -0.181 0.000 0.216 33 A C 2.382 179.957 177.584 -0.015 0.000 1.186 33 A CA 1.297 53.313 52.037 -0.034 0.000 0.620 33 A CB -0.974 18.015 19.000 -0.017 0.000 0.822 33 A HN 0.471 nan 8.150 nan 0.000 0.443 34 C N -0.696 118.599 119.300 -0.009 0.000 2.413 34 C HA -0.114 4.238 4.460 -0.181 0.000 0.278 34 C C 2.704 177.702 174.990 0.013 0.000 1.224 34 C CA 1.467 60.491 59.018 0.009 0.000 1.732 34 C CB -1.083 26.664 27.740 0.011 0.000 2.050 34 C HN 0.771 nan 8.230 nan 0.000 0.463 35 K N 1.158 121.555 120.400 -0.005 0.000 2.015 35 K HA -0.254 3.957 4.320 -0.181 0.000 0.216 35 K C 2.077 178.682 176.600 0.008 0.000 1.052 35 K CA 2.202 58.485 56.287 -0.005 0.000 0.937 35 K CB -0.455 32.026 32.500 -0.031 0.000 0.719 35 K HN 0.414 nan 8.250 nan 0.000 0.446 36 A N 0.986 123.804 122.820 -0.003 0.000 1.865 36 A HA -0.161 4.051 4.320 -0.181 0.000 0.217 36 A C 2.217 179.839 177.584 0.064 0.000 1.191 36 A CA 1.843 53.886 52.037 0.009 0.000 0.623 36 A CB -0.780 18.212 19.000 -0.013 0.000 0.826 36 A HN 0.383 nan 8.150 nan 0.000 0.444 37 L N -1.320 119.946 121.223 0.071 0.000 2.141 37 L HA -0.132 4.100 4.340 -0.181 0.000 0.209 37 L C 2.759 179.760 176.870 0.218 0.000 1.094 37 L CA 1.502 56.431 54.840 0.148 0.000 0.763 37 L CB -0.429 41.665 42.059 0.057 0.000 0.908 37 L HN 0.479 nan 8.230 nan 0.000 0.437 38 R N 0.589 121.162 120.500 0.121 0.000 2.066 38 R HA -0.192 4.040 4.340 -0.181 0.000 0.232 38 R C 2.153 178.504 176.300 0.086 0.000 1.131 38 R CA 1.568 57.727 56.100 0.098 0.000 0.955 38 R CB -0.125 30.207 30.300 0.053 0.000 0.851 38 R HN 0.298 nan 8.270 nan 0.000 0.432 39 E N -0.000 120.242 120.200 0.070 0.000 2.114 39 E HA -0.207 4.035 4.350 -0.181 0.000 0.199 39 E C 1.289 177.929 176.600 0.067 0.000 1.008 39 E CA 1.446 57.876 56.400 0.050 0.000 0.810 39 E CB 0.081 29.801 29.700 0.034 0.000 0.739 39 E HN 0.365 nan 8.360 nan 0.000 0.456 40 E N -0.726 119.555 120.200 0.136 0.000 2.494 40 E HA 0.011 4.252 4.350 -0.181 0.000 0.193 40 E C 0.841 177.441 176.600 -0.000 0.000 1.074 40 E CA 0.638 57.145 56.400 0.178 0.000 0.867 40 E CB 0.378 30.339 29.700 0.434 0.000 0.924 40 E HN 0.389 nan 8.360 nan 0.000 0.502 41 G N 1.488 110.290 108.800 0.004 0.000 2.273 41 G HA2 -0.310 3.542 3.960 -0.181 0.000 0.280 41 G HA3 -0.310 3.542 3.960 -0.181 0.000 0.280 41 G C -0.302 174.495 174.900 -0.171 0.000 1.047 41 G CA 0.284 45.336 45.100 -0.079 0.000 0.869 41 G HN 0.225 nan 8.290 nan 0.000 0.502 42 Y N -0.955 119.368 120.300 0.038 0.000 2.354 42 Y HA 0.578 5.019 4.550 -0.180 0.000 0.322 42 Y C 1.197 177.113 175.900 0.027 0.000 1.253 42 Y CA -0.931 57.190 58.100 0.035 0.000 1.272 42 Y CB 0.896 39.382 38.460 0.043 0.000 1.255 42 Y HN 0.113 nan 8.280 nan 0.000 0.500 43 R N 1.843 122.465 120.500 0.204 0.000 2.205 43 R HA 0.392 4.624 4.340 -0.181 0.000 0.342 43 R C -1.686 174.683 176.300 0.116 0.000 1.058 43 R CA -0.300 55.872 56.100 0.119 0.000 0.904 43 R CB 0.155 30.507 30.300 0.087 0.000 1.089 43 R HN 0.474 nan 8.270 nan 0.000 0.471 44 V N 7.416 127.385 119.914 0.091 0.000 2.348 44 V HA 0.312 4.324 4.120 -0.181 0.000 0.270 44 V C 0.158 176.285 176.094 0.056 0.000 1.037 44 V CA -0.392 61.951 62.300 0.071 0.000 0.872 44 V CB 1.187 33.049 31.823 0.065 0.000 1.002 44 V HN 0.602 nan 8.190 nan 0.000 0.464 45 I N 7.081 127.690 120.570 0.066 0.000 2.406 45 I HA 0.635 4.696 4.170 -0.181 0.000 0.290 45 I C -0.400 175.772 176.117 0.091 0.000 0.999 45 I CA -0.492 60.864 61.300 0.094 0.000 1.124 45 I CB 1.613 39.680 38.000 0.113 0.000 1.289 45 I HN 0.546 nan 8.210 nan 0.000 0.441 46 L N 5.172 126.463 121.223 0.113 0.000 2.359 46 L HA 0.933 5.164 4.340 -0.181 0.000 0.256 46 L C -1.144 175.809 176.870 0.140 0.000 1.026 46 L CA -1.039 53.855 54.840 0.091 0.000 0.828 46 L CB 2.123 44.216 42.059 0.056 0.000 1.406 46 L HN 0.333 nan 8.230 nan 0.000 0.413 47 V N 1.928 121.895 119.914 0.088 0.000 2.483 47 V HA 0.705 4.717 4.120 -0.181 0.000 0.297 47 V C -1.562 174.562 176.094 0.050 0.000 1.027 47 V CA 0.056 62.410 62.300 0.089 0.000 0.855 47 V CB 1.533 33.375 31.823 0.032 0.000 0.995 47 V HN 0.937 nan 8.190 nan 0.000 0.424 48 N N 3.421 122.152 118.700 0.051 0.000 2.542 48 N HA 0.273 4.905 4.740 -0.181 0.000 0.288 48 N C 0.564 176.090 175.510 0.026 0.000 1.115 48 N CA 0.256 53.326 53.050 0.034 0.000 0.924 48 N CB 2.444 40.955 38.487 0.040 0.000 1.526 48 N HN 0.664 nan 8.380 nan 0.000 0.515 49 S N 1.570 117.278 115.700 0.014 0.000 2.474 49 S HA -0.057 4.305 4.470 -0.181 0.000 0.235 49 S C 0.784 175.386 174.600 0.004 0.000 0.997 49 S CA 0.258 58.460 58.200 0.004 0.000 0.949 49 S CB -0.223 62.970 63.200 -0.011 0.000 0.766 49 S HN 0.587 nan 8.310 nan 0.000 0.517 50 N N 3.185 121.890 118.700 0.009 0.000 2.406 50 N HA 0.247 4.879 4.740 -0.181 0.000 0.251 50 N C -1.825 173.687 175.510 0.003 0.000 1.069 50 N CA -2.382 50.671 53.050 0.004 0.000 0.947 50 N CB 1.335 39.831 38.487 0.015 0.000 1.111 50 N HN 0.018 nan 8.380 nan 0.000 0.497 51 P HA 0.025 nan 4.420 nan 0.000 0.227 51 P C 0.230 177.448 177.300 -0.137 0.000 1.161 51 P CA 0.501 63.585 63.100 -0.026 0.000 0.788 51 P CB 0.156 31.882 31.700 0.043 0.000 0.822 52 A N 0.419 123.142 122.820 -0.162 0.000 2.416 52 A HA 0.207 4.419 4.320 -0.181 0.000 0.252 52 A C 0.678 178.208 177.584 -0.089 0.000 1.353 52 A CA 0.192 52.038 52.037 -0.319 0.000 0.996 52 A CB -1.504 17.348 19.000 -0.246 0.000 0.961 52 A HN 0.297 nan 8.150 nan 0.000 0.523 53 T N -3.139 111.437 114.554 0.037 0.000 2.824 53 T HA 0.536 4.778 4.350 -0.181 0.000 0.280 53 T C 0.963 175.849 174.700 0.310 0.000 0.995 53 T CA -0.740 61.465 62.100 0.175 0.000 1.009 53 T CB 1.034 69.966 68.868 0.108 0.000 0.955 53 T HN -0.009 nan 8.240 nan 0.000 0.452 54 I N 2.655 123.381 120.570 0.260 0.000 2.315 54 I HA -0.118 3.944 4.170 -0.181 0.000 0.248 54 I C 2.554 178.755 176.117 0.140 0.000 1.117 54 I CA 1.498 62.906 61.300 0.181 0.000 1.404 54 I CB -0.919 37.123 38.000 0.069 0.000 1.071 54 I HN 0.874 nan 8.210 nan 0.000 0.419 55 M N 0.698 120.364 119.600 0.110 0.000 2.346 55 M HA -0.156 4.216 4.480 -0.181 0.000 0.263 55 M C 1.709 178.052 176.300 0.070 0.000 1.064 55 M CA 2.201 57.546 55.300 0.074 0.000 1.083 55 M CB -0.953 31.684 32.600 0.063 0.000 1.399 55 M HN 0.268 nan 8.290 nan 0.000 0.435 56 T N -2.525 112.084 114.554 0.093 0.000 3.129 56 T HA 0.123 4.364 4.350 -0.181 0.000 0.251 56 T C 0.043 174.782 174.700 0.065 0.000 1.117 56 T CA -0.372 61.764 62.100 0.059 0.000 1.034 56 T CB -0.550 68.345 68.868 0.044 0.000 0.968 56 T HN 0.281 nan 8.240 nan 0.000 0.526 57 D N 3.649 124.121 120.400 0.120 0.000 2.472 57 D HA 0.128 4.659 4.640 -0.181 0.000 0.237 57 D C -1.265 175.063 176.300 0.046 0.000 1.141 57 D CA -1.887 52.192 54.000 0.133 0.000 0.875 57 D CB 1.327 42.229 40.800 0.170 0.000 1.192 57 D HN 0.125 nan 8.370 nan 0.000 0.450 58 P HA -0.137 nan 4.420 nan 0.000 0.217 58 P C 0.541 177.831 177.300 -0.017 0.000 1.150 58 P CA 1.213 64.290 63.100 -0.037 0.000 0.832 58 P CB 0.201 31.874 31.700 -0.045 0.000 0.787 59 E N -1.125 119.080 120.200 0.008 0.000 2.478 59 E HA -0.018 4.224 4.350 -0.181 0.000 0.198 59 E C 1.673 178.274 176.600 0.002 0.000 1.046 59 E CA 0.713 57.114 56.400 0.002 0.000 0.870 59 E CB -0.810 28.890 29.700 -0.000 0.000 0.818 59 E HN 0.178 nan 8.360 nan 0.000 0.527 60 M N 0.108 119.712 119.600 0.007 0.000 2.514 60 M HA 0.340 4.711 4.480 -0.181 0.000 0.258 60 M C 0.645 176.950 176.300 0.009 0.000 1.119 60 M CA 0.226 55.532 55.300 0.011 0.000 1.111 60 M CB -0.329 32.284 32.600 0.022 0.000 1.390 60 M HN 0.148 nan 8.290 nan 0.000 0.475 61 A N -0.554 122.265 122.820 -0.000 0.000 2.583 61 A HA 0.524 4.736 4.320 -0.181 0.000 0.289 61 A C -0.013 177.561 177.584 -0.016 0.000 1.151 61 A CA -0.649 51.388 52.037 0.000 0.000 0.695 61 A CB 0.823 19.825 19.000 0.003 0.000 1.290 61 A HN 0.151 nan 8.150 nan 0.000 0.419 62 D N 0.153 120.549 120.400 -0.006 0.000 2.144 62 D HA 0.213 4.745 4.640 -0.181 0.000 0.207 62 D C 0.812 177.080 176.300 -0.054 0.000 0.970 62 D CA 1.835 55.826 54.000 -0.015 0.000 0.853 62 D CB 0.137 40.944 40.800 0.011 0.000 1.007 62 D HN 0.678 nan 8.370 nan 0.000 0.469 63 A N 1.233 124.020 122.820 -0.054 0.000 2.586 63 A HA 0.443 4.654 4.320 -0.181 0.000 0.320 63 A C -0.470 176.998 177.584 -0.193 0.000 1.281 63 A CA -0.485 51.464 52.037 -0.146 0.000 0.775 63 A CB 0.688 19.681 19.000 -0.012 0.000 1.122 63 A HN -0.144 nan 8.150 nan 0.000 0.470 64 T N 2.512 116.889 114.554 -0.296 0.000 2.743 64 T HA 0.424 4.665 4.350 -0.181 0.000 0.293 64 T C -0.968 173.505 174.700 -0.378 0.000 0.945 64 T CA 0.542 62.511 62.100 -0.219 0.000 1.030 64 T CB -0.099 68.673 68.868 -0.160 0.000 0.912 64 T HN 0.391 nan 8.240 nan 0.000 0.483 65 Y N 2.788 123.052 120.300 -0.061 0.000 2.402 65 Y HA 0.431 4.872 4.550 -0.181 0.000 0.332 65 Y C 0.491 176.354 175.900 -0.061 0.000 0.960 65 Y CA -0.955 57.103 58.100 -0.070 0.000 1.228 65 Y CB 0.533 38.954 38.460 -0.065 0.000 1.120 65 Y HN 0.569 nan 8.280 nan 0.000 0.491 66 I N 4.940 125.532 120.570 0.037 0.000 2.206 66 I HA 0.162 4.224 4.170 -0.181 0.000 0.292 66 I C -0.175 175.958 176.117 0.027 0.000 1.156 66 I CA 0.186 61.497 61.300 0.019 0.000 1.356 66 I CB -0.266 37.724 38.000 -0.017 0.000 1.494 66 I HN 0.554 nan 8.210 nan 0.000 0.601 67 E N 5.478 125.704 120.200 0.042 0.000 2.392 67 E HA 0.471 4.713 4.350 -0.181 0.000 0.269 67 E C -2.596 173.997 176.600 -0.010 0.000 0.924 67 E CA -2.147 54.258 56.400 0.010 0.000 0.784 67 E CB 1.707 31.413 29.700 0.012 0.000 1.292 67 E HN 0.000 nan 8.360 nan 0.000 0.447 68 P HA 0.103 nan 4.420 nan 0.000 0.264 68 P C -0.023 177.278 177.300 0.001 0.000 1.193 68 P CA 0.354 63.438 63.100 -0.026 0.000 0.763 68 P CB 0.109 31.780 31.700 -0.048 0.000 0.810 69 I N 3.904 124.480 120.570 0.011 0.000 2.382 69 I HA 0.050 4.111 4.170 -0.181 0.000 0.297 69 I C 1.075 177.219 176.117 0.044 0.000 1.172 69 I CA 0.285 61.594 61.300 0.015 0.000 1.825 69 I CB -0.957 37.042 38.000 -0.003 0.000 1.509 69 I HN 0.373 nan 8.210 nan 0.000 0.842 70 H N 5.470 124.511 119.070 -0.048 0.000 2.538 70 H HA 0.055 4.502 4.556 -0.181 0.000 0.353 70 H C 0.591 175.884 175.328 -0.058 0.000 1.109 70 H CA -0.897 55.124 56.048 -0.046 0.000 1.192 70 H CB 1.454 31.143 29.762 -0.121 0.000 1.555 70 H HN 0.587 nan 8.280 nan 0.000 0.518 71 W N 5.220 126.343 121.300 -0.294 0.000 2.308 71 W HA -0.161 4.390 4.660 -0.181 0.000 0.301 71 W C 0.604 177.164 176.519 0.069 0.000 1.220 71 W CA 1.150 58.434 57.345 -0.103 0.000 1.240 71 W CB -0.504 28.860 29.460 -0.160 0.000 1.142 71 W HN 0.647 nan 8.180 nan 0.000 0.521 72 E N 0.841 120.645 120.200 -0.660 0.000 2.077 72 E HA -0.176 4.066 4.350 -0.181 0.000 0.193 72 E C 2.396 178.803 176.600 -0.321 0.000 0.989 72 E CA 2.044 58.011 56.400 -0.722 0.000 0.800 72 E CB -0.271 28.983 29.700 -0.744 0.000 0.746 72 E HN 0.177 nan 8.360 nan 0.000 0.452 73 V N 0.965 120.772 119.914 -0.179 0.000 2.307 73 V HA -0.208 3.803 4.120 -0.181 0.000 0.245 73 V C 2.414 178.406 176.094 -0.170 0.000 1.045 73 V CA 1.265 63.465 62.300 -0.165 0.000 1.024 73 V CB -0.406 31.347 31.823 -0.116 0.000 0.651 73 V HN 0.114 nan 8.190 nan 0.000 0.449 74 V N 0.140 119.989 119.914 -0.110 0.000 2.469 74 V HA -0.289 3.723 4.120 -0.181 0.000 0.251 74 V C 2.550 178.558 176.094 -0.144 0.000 1.064 74 V CA 2.317 64.548 62.300 -0.115 0.000 1.066 74 V CB -0.916 30.890 31.823 -0.028 0.000 0.667 74 V HN 0.481 nan 8.190 nan 0.000 0.461 75 R N -0.031 120.408 120.500 -0.100 0.000 2.081 75 R HA -0.157 4.075 4.340 -0.181 0.000 0.235 75 R C 2.478 178.632 176.300 -0.244 0.000 1.131 75 R CA 1.210 57.245 56.100 -0.109 0.000 0.960 75 R CB -0.103 30.189 30.300 -0.013 0.000 0.856 75 R HN 0.296 nan 8.270 nan 0.000 0.436 76 K N 0.790 121.055 120.400 -0.226 0.000 2.032 76 K HA -0.129 4.083 4.320 -0.181 0.000 0.209 76 K C 2.031 178.440 176.600 -0.318 0.000 1.048 76 K CA 1.396 57.539 56.287 -0.240 0.000 0.927 76 K CB -0.408 31.969 32.500 -0.204 0.000 0.712 76 K HN 0.309 nan 8.250 nan 0.000 0.441 77 I N 0.456 120.794 120.570 -0.387 0.000 2.286 77 I HA -0.252 3.809 4.170 -0.181 0.000 0.248 77 I C 2.242 178.124 176.117 -0.392 0.000 1.115 77 I CA 1.055 62.036 61.300 -0.531 0.000 1.392 77 I CB -0.233 37.372 38.000 -0.659 0.000 1.065 77 I HN 0.043 nan 8.210 nan 0.000 0.418 78 I N 0.159 120.503 120.570 -0.376 0.000 2.353 78 I HA -0.213 3.849 4.170 -0.181 0.000 0.248 78 I C 2.702 178.424 176.117 -0.658 0.000 1.119 78 I CA 0.978 62.032 61.300 -0.410 0.000 1.417 78 I CB -0.321 37.453 38.000 -0.376 0.000 1.078 78 I HN 0.255 nan 8.210 nan 0.000 0.421 79 E N 1.752 121.456 120.200 -0.826 0.000 2.031 79 E HA -0.295 3.947 4.350 -0.181 0.000 0.193 79 E C 2.142 178.553 176.600 -0.315 0.000 0.994 79 E CA 1.591 57.475 56.400 -0.861 0.000 0.800 79 E CB -0.020 29.360 29.700 -0.532 0.000 0.752 79 E HN 0.415 nan 8.360 nan 0.000 0.447 80 K N 0.130 120.395 120.400 -0.226 0.000 2.097 80 K HA -0.123 4.089 4.320 -0.181 0.000 0.205 80 K C 1.757 178.322 176.600 -0.057 0.000 1.050 80 K CA 1.376 57.602 56.287 -0.101 0.000 0.938 80 K CB 0.101 32.552 32.500 -0.081 0.000 0.718 80 K HN -0.033 nan 8.250 nan 0.000 0.442 81 E N 0.578 120.726 120.200 -0.087 0.000 2.340 81 E HA 0.014 4.256 4.350 -0.181 0.000 0.194 81 E C -0.223 176.370 176.600 -0.012 0.000 0.996 81 E CA 0.076 56.465 56.400 -0.018 0.000 0.869 81 E CB 0.302 30.006 29.700 0.006 0.000 0.835 81 E HN 0.227 nan 8.360 nan 0.000 0.493 82 R N 0.925 121.392 120.500 -0.054 0.000 3.127 82 R HA -0.131 4.100 4.340 -0.181 0.000 0.247 82 R C -2.336 173.984 176.300 0.034 0.000 0.896 82 R CA 0.379 56.486 56.100 0.012 0.000 0.624 82 R CB -2.377 27.971 30.300 0.080 0.000 1.154 82 R HN 0.227 nan 8.270 nan 0.000 0.474 83 P HA 0.074 nan 4.420 nan 0.000 0.271 83 P C 0.489 177.820 177.300 0.051 0.000 1.218 83 P CA -0.173 62.946 63.100 0.032 0.000 0.780 83 P CB 0.669 32.376 31.700 0.012 0.000 0.901 84 D N 0.544 120.978 120.400 0.056 0.000 2.137 84 D HA 0.055 4.587 4.640 -0.181 0.000 0.202 84 D C 0.778 177.105 176.300 0.045 0.000 0.970 84 D CA 1.282 55.316 54.000 0.058 0.000 0.837 84 D CB 0.272 41.111 40.800 0.066 0.000 0.981 84 D HN 0.490 nan 8.370 nan 0.000 0.475 85 A N -0.169 122.671 122.820 0.032 0.000 2.566 85 A HA 0.597 4.809 4.320 -0.181 0.000 0.292 85 A C -1.406 176.183 177.584 0.008 0.000 1.112 85 A CA -0.560 51.487 52.037 0.016 0.000 0.707 85 A CB 2.359 21.358 19.000 -0.002 0.000 1.302 85 A HN -0.053 nan 8.150 nan 0.000 0.409 86 V N 0.873 120.789 119.914 0.004 0.000 2.656 86 V HA 0.695 4.707 4.120 -0.181 0.000 0.307 86 V C -1.738 174.353 176.094 -0.006 0.000 1.051 86 V CA -0.651 61.649 62.300 0.000 0.000 0.893 86 V CB 1.557 33.383 31.823 0.005 0.000 0.999 86 V HN 1.008 nan 8.190 nan 0.000 0.426 87 L N 9.937 131.154 121.223 -0.009 0.000 2.301 87 L HA 0.721 4.952 4.340 -0.181 0.000 0.278 87 L C -2.037 174.829 176.870 -0.006 0.000 1.022 87 L CA -1.458 53.376 54.840 -0.010 0.000 0.854 87 L CB 1.840 43.889 42.059 -0.017 0.000 1.226 87 L HN 0.530 nan 8.230 nan 0.000 0.429 88 P HA 0.086 nan 4.420 nan 0.000 0.261 88 P C 0.604 177.895 177.300 -0.016 0.000 1.268 88 P CA 0.246 63.340 63.100 -0.010 0.000 0.833 88 P CB 0.160 31.859 31.700 -0.002 0.000 1.231 89 T N -4.364 110.188 114.554 -0.002 0.000 3.188 89 T HA 0.240 4.482 4.350 -0.181 0.000 0.250 89 T C 1.070 175.784 174.700 0.024 0.000 1.077 89 T CA 0.026 62.130 62.100 0.007 0.000 0.967 89 T CB -0.544 68.337 68.868 0.022 0.000 1.006 89 T HN -0.107 nan 8.240 nan 0.000 0.552 90 M N 0.818 120.425 119.600 0.013 0.000 2.502 90 M HA 0.389 4.760 4.480 -0.181 0.000 0.351 90 M C 1.061 177.383 176.300 0.037 0.000 1.118 90 M CA -0.032 55.309 55.300 0.068 0.000 0.952 90 M CB 1.076 33.713 32.600 0.062 0.000 1.424 90 M HN 0.430 nan 8.290 nan 0.000 0.529 91 G N 0.023 108.732 108.800 -0.153 0.000 4.543 91 G HA2 0.490 4.342 3.960 -0.181 0.000 0.286 91 G HA3 0.490 4.342 3.960 -0.181 0.000 0.286 91 G C 0.723 175.218 174.900 -0.675 0.000 1.112 91 G CA 0.122 45.034 45.100 -0.314 0.000 0.870 91 G HN 0.556 nan 8.290 nan 0.000 0.540 92 G N 0.909 109.015 108.800 -1.155 0.000 2.582 92 G HA2 -0.383 3.469 3.960 -0.181 0.000 0.288 92 G HA3 -0.383 3.469 3.960 -0.181 0.000 0.288 92 G C 1.007 175.663 174.900 -0.406 0.000 1.247 92 G CA 0.882 45.331 45.100 -1.084 0.000 0.972 92 G HN 0.656 nan 8.290 nan 0.000 0.557 93 Q N -0.964 118.671 119.800 -0.274 0.000 2.187 93 Q HA 0.111 4.343 4.340 -0.181 0.000 0.199 93 Q C 2.857 178.804 176.000 -0.088 0.000 0.957 93 Q CA 2.508 58.243 55.803 -0.113 0.000 0.857 93 Q CB -0.537 28.169 28.738 -0.053 0.000 0.929 93 Q HN 0.685 nan 8.270 nan 0.000 0.453 94 T N 0.157 114.633 114.554 -0.130 0.000 2.622 94 T HA -0.206 4.035 4.350 -0.181 0.000 0.266 94 T C 1.698 176.349 174.700 -0.082 0.000 1.047 94 T CA 1.641 63.686 62.100 -0.092 0.000 1.159 94 T CB -0.673 68.135 68.868 -0.101 0.000 0.863 94 T HN 0.481 nan 8.240 nan 0.000 0.422 95 A N 1.101 123.850 122.820 -0.119 0.000 1.917 95 A HA -0.065 4.146 4.320 -0.181 0.000 0.219 95 A C 2.308 179.863 177.584 -0.048 0.000 1.182 95 A CA 1.447 53.433 52.037 -0.085 0.000 0.633 95 A CB -0.899 18.038 19.000 -0.104 0.000 0.819 95 A HN 0.521 nan 8.150 nan 0.000 0.448 96 L N -0.687 120.513 121.223 -0.038 0.000 2.109 96 L HA -0.152 4.080 4.340 -0.181 0.000 0.207 96 L C 2.255 179.156 176.870 0.052 0.000 1.086 96 L CA 1.042 55.898 54.840 0.027 0.000 0.760 96 L CB -0.644 41.456 42.059 0.069 0.000 0.910 96 L HN 0.331 nan 8.230 nan 0.000 0.437 97 N N -0.429 118.284 118.700 0.022 0.000 2.106 97 N HA -0.169 4.462 4.740 -0.181 0.000 0.188 97 N C 1.925 177.390 175.510 -0.074 0.000 1.029 97 N CA 1.344 54.375 53.050 -0.033 0.000 0.848 97 N CB -0.753 37.711 38.487 -0.039 0.000 1.007 97 N HN 0.295 nan 8.380 nan 0.000 0.423 98 C N 1.128 120.399 119.300 -0.048 0.000 2.413 98 C HA -0.025 4.327 4.460 -0.181 0.000 0.277 98 C C 2.794 177.764 174.990 -0.032 0.000 1.228 98 C CA 1.287 60.284 59.018 -0.034 0.000 1.731 98 C CB -1.265 26.466 27.740 -0.015 0.000 2.042 98 C HN 0.491 nan 8.230 nan 0.000 0.468 99 A N -0.150 122.657 122.820 -0.023 0.000 1.892 99 A HA -0.171 4.041 4.320 -0.181 0.000 0.218 99 A C 1.935 179.498 177.584 -0.035 0.000 1.188 99 A CA 2.071 54.099 52.037 -0.015 0.000 0.631 99 A CB -0.718 18.281 19.000 -0.002 0.000 0.822 99 A HN 0.580 nan 8.150 nan 0.000 0.447 100 L N -0.939 120.252 121.223 -0.054 0.000 2.395 100 L HA -0.015 4.217 4.340 -0.181 0.000 0.218 100 L C 2.274 179.044 176.870 -0.167 0.000 1.130 100 L CA 1.719 56.504 54.840 -0.093 0.000 0.826 100 L CB -0.340 41.664 42.059 -0.092 0.000 0.941 100 L HN 0.488 nan 8.230 nan 0.000 0.451 101 E N -0.215 119.872 120.200 -0.189 0.000 2.076 101 E HA -0.104 4.138 4.350 -0.181 0.000 0.190 101 E C 2.168 178.581 176.600 -0.311 0.000 0.979 101 E CA 1.070 57.288 56.400 -0.304 0.000 0.807 101 E CB -0.167 29.355 29.700 -0.297 0.000 0.761 101 E HN 0.364 nan 8.360 nan 0.000 0.454 102 L N 0.595 121.740 121.223 -0.130 0.000 2.046 102 L HA -0.183 4.049 4.340 -0.181 0.000 0.208 102 L C 2.545 179.373 176.870 -0.070 0.000 1.077 102 L CA 1.777 56.597 54.840 -0.034 0.000 0.747 102 L CB -0.473 41.612 42.059 0.042 0.000 0.896 102 L HN 0.244 nan 8.230 nan 0.000 0.432 103 E N 0.582 120.734 120.200 -0.080 0.000 2.031 103 E HA -0.269 3.972 4.350 -0.181 0.000 0.193 103 E C 2.345 178.882 176.600 -0.105 0.000 0.994 103 E CA 1.363 57.722 56.400 -0.067 0.000 0.800 103 E CB -0.206 29.460 29.700 -0.056 0.000 0.752 103 E HN 0.154 nan 8.360 nan 0.000 0.447 104 R N -0.381 120.021 120.500 -0.164 0.000 2.120 104 R HA -0.086 4.146 4.340 -0.181 0.000 0.234 104 R C 1.614 177.774 176.300 -0.233 0.000 1.123 104 R CA 1.349 57.334 56.100 -0.193 0.000 0.975 104 R CB 0.006 30.168 30.300 -0.231 0.000 0.866 104 R HN 0.302 nan 8.270 nan 0.000 0.446 105 Q N -0.671 118.931 119.800 -0.330 0.000 2.444 105 Q HA 0.053 4.284 4.340 -0.181 0.000 0.206 105 Q C 0.930 176.846 176.000 -0.140 0.000 0.948 105 Q CA 0.823 56.404 55.803 -0.369 0.000 0.946 105 Q CB 0.728 28.991 28.738 -0.792 0.000 1.027 105 Q HN 0.642 nan 8.270 nan 0.000 0.513 106 G N 0.097 108.842 108.800 -0.091 0.000 2.184 106 G HA2 -0.324 3.527 3.960 -0.181 0.000 0.264 106 G HA3 -0.324 3.527 3.960 -0.181 0.000 0.264 106 G C 1.029 175.949 174.900 0.034 0.000 0.975 106 G CA 0.534 45.618 45.100 -0.027 0.000 0.642 106 G HN 0.320 nan 8.290 nan 0.000 0.536 107 V N 0.769 120.730 119.914 0.078 0.000 2.392 107 V HA -0.180 3.832 4.120 -0.181 0.000 0.249 107 V C 2.905 179.125 176.094 0.211 0.000 1.059 107 V CA 2.302 64.724 62.300 0.203 0.000 1.051 107 V CB -0.495 31.475 31.823 0.245 0.000 0.658 107 V HN 0.526 nan 8.190 nan 0.000 0.455 108 L N -0.300 120.992 121.223 0.114 0.000 2.093 108 L HA -0.161 4.071 4.340 -0.181 0.000 0.208 108 L C 2.557 179.477 176.870 0.083 0.000 1.085 108 L CA 1.787 56.687 54.840 0.100 0.000 0.755 108 L CB -0.555 41.534 42.059 0.050 0.000 0.904 108 L HN 0.415 nan 8.230 nan 0.000 0.435 109 E N 0.532 120.759 120.200 0.045 0.000 2.047 109 E HA -0.251 3.991 4.350 -0.181 0.000 0.191 109 E C 2.112 178.698 176.600 -0.024 0.000 0.987 109 E CA 1.014 57.419 56.400 0.009 0.000 0.799 109 E CB 0.084 29.778 29.700 -0.010 0.000 0.752 109 E HN 0.360 nan 8.360 nan 0.000 0.449 110 E N -0.660 119.510 120.200 -0.049 0.000 2.097 110 E HA -0.196 4.046 4.350 -0.181 0.000 0.196 110 E C 1.170 177.511 176.600 -0.432 0.000 1.000 110 E CA 1.250 57.502 56.400 -0.246 0.000 0.804 110 E CB -0.043 29.500 29.700 -0.261 0.000 0.740 110 E HN 0.305 nan 8.360 nan 0.000 0.454 111 F N -0.654 119.305 119.950 0.014 0.000 2.664 111 F HA 0.282 4.701 4.527 -0.180 0.000 0.303 111 F C 1.120 176.926 175.800 0.011 0.000 1.092 111 F CA 0.319 58.327 58.000 0.013 0.000 1.305 111 F CB 0.910 39.918 39.000 0.013 0.000 1.054 111 F HN 0.010 nan 8.300 nan 0.000 0.565 112 G N 1.800 110.659 108.800 0.100 0.000 2.372 112 G HA2 -0.238 3.613 3.960 -0.181 0.000 0.297 112 G HA3 -0.238 3.613 3.960 -0.181 0.000 0.297 112 G C -0.301 174.650 174.900 0.085 0.000 1.005 112 G CA 0.035 45.175 45.100 0.066 0.000 1.173 112 G HN 0.167 nan 8.290 nan 0.000 0.511 113 V N 0.807 120.779 119.914 0.096 0.000 2.383 113 V HA 0.510 4.521 4.120 -0.181 0.000 0.275 113 V C 0.905 177.028 176.094 0.048 0.000 1.036 113 V CA -0.226 62.120 62.300 0.076 0.000 0.889 113 V CB 1.616 33.488 31.823 0.082 0.000 0.985 113 V HN 0.405 nan 8.190 nan 0.000 0.459 114 T N 6.465 121.041 114.554 0.037 0.000 2.845 114 T HA 0.393 4.635 4.350 -0.181 0.000 0.288 114 T C -0.001 174.709 174.700 0.016 0.000 0.980 114 T CA -0.218 61.896 62.100 0.024 0.000 1.071 114 T CB 0.819 69.700 68.868 0.021 0.000 0.941 114 T HN 0.588 nan 8.240 nan 0.000 0.487 115 M N 5.657 125.265 119.600 0.014 0.000 2.143 115 M HA 0.423 4.795 4.480 -0.181 0.000 0.348 115 M C -0.348 175.955 176.300 0.005 0.000 1.375 115 M CA -0.319 54.987 55.300 0.009 0.000 1.124 115 M CB -0.058 32.549 32.600 0.011 0.000 1.669 115 M HN 0.590 nan 8.290 nan 0.000 0.469 116 I N 0.612 121.180 120.570 -0.002 0.000 2.910 116 I HA 0.909 4.971 4.170 -0.181 0.000 0.310 116 I C 0.610 176.726 176.117 -0.003 0.000 1.043 116 I CA -0.192 61.104 61.300 -0.007 0.000 1.053 116 I CB 1.939 39.924 38.000 -0.025 0.000 1.242 116 I HN 0.823 nan 8.210 nan 0.000 0.452 117 G N 3.206 112.008 108.800 0.003 0.000 2.729 117 G HA2 -0.044 3.808 3.960 -0.181 0.000 0.216 117 G HA3 -0.044 3.808 3.960 -0.181 0.000 0.216 117 G C 0.152 175.063 174.900 0.018 0.000 1.252 117 G CA 0.303 45.410 45.100 0.012 0.000 0.751 117 G HN 1.900 nan 8.290 nan 0.000 0.527 118 A N -0.430 122.400 122.820 0.015 0.000 2.555 118 A HA 0.837 5.048 4.320 -0.181 0.000 0.297 118 A C 0.012 177.607 177.584 0.018 0.000 1.060 118 A CA 0.940 52.988 52.037 0.019 0.000 0.710 118 A CB 0.635 19.646 19.000 0.020 0.000 1.282 118 A HN 1.952 nan 8.150 nan 0.000 0.399 119 T N -0.176 114.390 114.554 0.020 0.000 2.828 119 T HA 0.538 4.780 4.350 -0.181 0.000 0.290 119 T C 1.466 176.182 174.700 0.027 0.000 1.019 119 T CA 0.241 62.353 62.100 0.020 0.000 1.031 119 T CB 1.276 70.154 68.868 0.018 0.000 1.001 119 T HN 1.805 nan 8.240 nan 0.000 0.531 120 A N 0.652 123.487 122.820 0.026 0.000 1.933 120 A HA -0.070 4.141 4.320 -0.181 0.000 0.218 120 A C 2.007 179.621 177.584 0.049 0.000 1.175 120 A CA 2.002 54.061 52.037 0.036 0.000 0.628 120 A CB -1.240 17.772 19.000 0.020 0.000 0.814 120 A HN 1.028 nan 8.150 nan 0.000 0.444 121 D N -0.523 119.899 120.400 0.036 0.000 2.178 121 D HA 0.033 4.565 4.640 -0.181 0.000 0.202 121 D C 1.967 178.292 176.300 0.043 0.000 0.974 121 D CA 1.328 55.352 54.000 0.039 0.000 0.841 121 D CB -0.134 40.681 40.800 0.025 0.000 0.953 121 D HN 0.341 nan 8.370 nan 0.000 0.478 122 A N 0.207 123.048 122.820 0.035 0.000 1.873 122 A HA -0.094 4.117 4.320 -0.181 0.000 0.215 122 A C 2.361 179.963 177.584 0.031 0.000 1.186 122 A CA 1.095 53.151 52.037 0.032 0.000 0.616 122 A CB -0.812 18.204 19.000 0.026 0.000 0.823 122 A HN 0.354 nan 8.150 nan 0.000 0.442 123 I N -0.251 120.341 120.570 0.037 0.000 2.163 123 I HA -0.288 3.774 4.170 -0.181 0.000 0.243 123 I C 2.321 178.444 176.117 0.010 0.000 1.085 123 I CA 2.131 63.449 61.300 0.030 0.000 1.347 123 I CB -0.383 37.661 38.000 0.073 0.000 1.044 123 I HN 0.453 nan 8.210 nan 0.000 0.408 124 D N 0.691 121.155 120.400 0.107 0.000 2.178 124 D HA -0.230 4.302 4.640 -0.181 0.000 0.202 124 D C 2.165 178.496 176.300 0.052 0.000 0.974 124 D CA 1.170 55.272 54.000 0.170 0.000 0.841 124 D CB 0.021 40.952 40.800 0.218 0.000 0.953 124 D HN 0.067 nan 8.370 nan 0.000 0.478 125 K N -0.746 119.683 120.400 0.049 0.000 2.211 125 K HA -0.001 4.211 4.320 -0.181 0.000 0.203 125 K C 1.657 178.315 176.600 0.097 0.000 1.050 125 K CA 1.064 57.385 56.287 0.058 0.000 0.945 125 K CB 0.017 32.545 32.500 0.047 0.000 0.732 125 K HN 0.179 nan 8.250 nan 0.000 0.451 126 A N 0.123 122.966 122.820 0.039 0.000 2.063 126 A HA 0.052 4.264 4.320 -0.181 0.000 0.211 126 A C 1.514 178.964 177.584 -0.224 0.000 1.177 126 A CA 0.333 52.387 52.037 0.029 0.000 0.759 126 A CB 0.091 19.064 19.000 -0.046 0.000 0.857 126 A HN 0.169 nan 8.150 nan 0.000 0.468 127 E N 0.493 120.453 120.200 -0.400 0.000 2.250 127 E HA -0.043 4.199 4.350 -0.181 0.000 0.192 127 E C -0.210 175.972 176.600 -0.697 0.000 0.986 127 E CA 0.217 56.098 56.400 -0.865 0.000 0.849 127 E CB -0.059 28.552 29.700 -1.815 0.000 0.797 127 E HN 0.521 nan 8.360 nan 0.000 0.482 128 D N 1.571 121.792 120.400 -0.298 0.000 2.393 128 D HA 0.018 4.550 4.640 -0.181 0.000 0.232 128 D C 1.031 177.343 176.300 0.020 0.000 1.192 128 D CA -0.135 53.861 54.000 -0.007 0.000 0.882 128 D CB 0.503 41.383 40.800 0.134 0.000 1.038 128 D HN -0.122 nan 8.370 nan 0.000 0.499 129 R N 3.323 123.825 120.500 0.003 0.000 2.133 129 R HA -0.201 4.030 4.340 -0.181 0.000 0.247 129 R C 2.034 178.394 176.300 0.101 0.000 1.151 129 R CA 0.891 57.013 56.100 0.036 0.000 0.971 129 R CB -0.314 29.981 30.300 -0.008 0.000 0.866 129 R HN 0.499 nan 8.270 nan 0.000 0.447 130 R N 1.187 121.739 120.500 0.086 0.000 2.073 130 R HA -0.086 4.146 4.340 -0.181 0.000 0.234 130 R C 2.363 178.709 176.300 0.076 0.000 1.134 130 R CA 1.399 57.546 56.100 0.078 0.000 0.952 130 R CB -0.018 30.336 30.300 0.090 0.000 0.850 130 R HN 0.195 nan 8.270 nan 0.000 0.433 131 R N -0.727 119.824 120.500 0.086 0.000 2.092 131 R HA -0.138 4.093 4.340 -0.181 0.000 0.231 131 R C 2.210 178.545 176.300 0.057 0.000 1.119 131 R CA 1.453 57.590 56.100 0.062 0.000 0.970 131 R CB -0.459 29.881 30.300 0.066 0.000 0.864 131 R HN 0.229 nan 8.270 nan 0.000 0.440 132 F N 2.341 122.265 119.950 -0.042 0.000 2.134 132 F HA -0.206 4.214 4.527 -0.179 0.000 0.299 132 F C 2.102 177.875 175.800 -0.045 0.000 1.097 132 F CA 1.534 59.501 58.000 -0.056 0.000 1.264 132 F CB -0.218 38.733 39.000 -0.081 0.000 1.001 132 F HN -0.005 nan 8.300 nan 0.000 0.479 133 D N -0.251 120.195 120.400 0.077 0.000 2.178 133 D HA -0.143 4.389 4.640 -0.181 0.000 0.201 133 D C 2.221 178.460 176.300 -0.103 0.000 0.980 133 D CA 1.296 55.289 54.000 -0.012 0.000 0.842 133 D CB 0.154 40.984 40.800 0.051 0.000 0.948 133 D HN 0.273 nan 8.370 nan 0.000 0.472 134 V N 1.251 121.117 119.914 -0.081 0.000 2.379 134 V HA -0.164 3.848 4.120 -0.181 0.000 0.245 134 V C 2.703 178.717 176.094 -0.133 0.000 1.044 134 V CA 1.491 63.743 62.300 -0.080 0.000 1.036 134 V CB -0.568 31.232 31.823 -0.037 0.000 0.664 134 V HN 0.214 nan 8.190 nan 0.000 0.453 135 A N -0.159 122.539 122.820 -0.204 0.000 1.883 135 A HA -0.246 3.966 4.320 -0.181 0.000 0.217 135 A C 2.225 179.649 177.584 -0.266 0.000 1.186 135 A CA 2.102 53.997 52.037 -0.236 0.000 0.624 135 A CB -0.511 18.298 19.000 -0.317 0.000 0.822 135 A HN 0.391 nan 8.150 nan 0.000 0.444 136 M N -0.274 119.090 119.600 -0.393 0.000 2.108 136 M HA -0.157 4.214 4.480 -0.181 0.000 0.261 136 M C 2.058 178.267 176.300 -0.151 0.000 1.066 136 M CA 1.930 57.050 55.300 -0.301 0.000 1.107 136 M CB -1.245 31.160 32.600 -0.325 0.000 1.356 136 M HN 0.537 nan 8.290 nan 0.000 0.406 137 K N 0.361 120.686 120.400 -0.125 0.000 2.057 137 K HA -0.196 4.015 4.320 -0.181 0.000 0.207 137 K C 2.141 178.704 176.600 -0.062 0.000 1.049 137 K CA 1.421 57.665 56.287 -0.072 0.000 0.931 137 K CB -0.084 32.383 32.500 -0.055 0.000 0.714 137 K HN 0.214 nan 8.250 nan 0.000 0.440 138 K N 1.162 121.517 120.400 -0.075 0.000 2.074 138 K HA -0.154 4.058 4.320 -0.181 0.000 0.209 138 K C 1.795 178.363 176.600 -0.052 0.000 1.048 138 K CA 1.878 58.129 56.287 -0.060 0.000 0.926 138 K CB -0.205 32.255 32.500 -0.066 0.000 0.713 138 K HN 0.406 nan 8.250 nan 0.000 0.444 139 I N -3.193 117.338 120.570 -0.065 0.000 3.855 139 I HA 0.313 4.374 4.170 -0.181 0.000 0.327 139 I C 0.606 176.703 176.117 -0.033 0.000 1.359 139 I CA 0.287 61.559 61.300 -0.047 0.000 1.142 139 I CB 0.137 38.105 38.000 -0.052 0.000 1.041 139 I HN 0.253 nan 8.210 nan 0.000 0.403 140 G N 1.988 110.769 108.800 -0.033 0.000 2.179 140 G HA2 -0.252 3.600 3.960 -0.181 0.000 0.257 140 G HA3 -0.252 3.600 3.960 -0.181 0.000 0.257 140 G C -0.012 174.884 174.900 -0.007 0.000 1.010 140 G CA 0.385 45.474 45.100 -0.018 0.000 0.736 140 G HN 0.475 nan 8.290 nan 0.000 0.513 141 L N -0.517 120.698 121.223 -0.014 0.000 2.399 141 L HA 0.630 4.862 4.340 -0.181 0.000 0.265 141 L C 0.781 177.664 176.870 0.021 0.000 1.089 141 L CA -0.846 54.005 54.840 0.018 0.000 0.802 141 L CB 1.183 43.265 42.059 0.038 0.000 1.180 141 L HN 0.240 nan 8.230 nan 0.000 0.454 142 E N 0.338 120.575 120.200 0.061 0.000 2.266 142 E HA 0.396 4.637 4.350 -0.181 0.000 0.277 142 E C -1.015 175.627 176.600 0.070 0.000 1.018 142 E CA -0.436 56.002 56.400 0.064 0.000 0.840 142 E CB 1.361 31.116 29.700 0.092 0.000 1.082 142 E HN 0.665 nan 8.360 nan 0.000 0.395 143 T N -0.145 114.434 114.554 0.042 0.000 2.906 143 T HA 0.724 4.966 4.350 -0.181 0.000 0.295 143 T C -0.239 174.464 174.700 0.005 0.000 1.075 143 T CA -0.928 61.193 62.100 0.035 0.000 1.005 143 T CB 1.547 70.436 68.868 0.036 0.000 1.136 143 T HN 0.476 nan 8.240 nan 0.000 0.498 144 A N 1.640 124.444 122.820 -0.027 0.000 2.366 144 A HA 0.544 4.756 4.320 -0.181 0.000 0.249 144 A C 0.688 178.245 177.584 -0.045 0.000 1.084 144 A CA -0.631 51.365 52.037 -0.069 0.000 0.794 144 A CB 0.034 18.958 19.000 -0.126 0.000 1.034 144 A HN 0.903 nan 8.150 nan 0.000 0.491 145 R N 0.292 120.762 120.500 -0.051 0.000 2.522 145 R HA 0.278 4.510 4.340 -0.181 0.000 0.284 145 R C -0.040 176.234 176.300 -0.043 0.000 1.032 145 R CA 1.109 57.185 56.100 -0.040 0.000 1.049 145 R CB 0.093 30.366 30.300 -0.044 0.000 0.956 145 R HN 0.987 nan 8.270 nan 0.000 0.422 146 S N 1.196 116.877 115.700 -0.032 0.000 2.672 146 S HA 0.786 5.148 4.470 -0.181 0.000 0.271 146 S C -0.657 173.927 174.600 -0.025 0.000 1.171 146 S CA -0.695 57.488 58.200 -0.029 0.000 0.817 146 S CB 2.064 65.252 63.200 -0.019 0.000 1.150 146 S HN 0.671 nan 8.310 nan 0.000 0.478 147 G N -0.106 108.680 108.800 -0.024 0.000 2.733 147 G HA2 0.589 4.440 3.960 -0.181 0.000 0.297 147 G HA3 0.589 4.440 3.960 -0.181 0.000 0.297 147 G C -1.371 173.505 174.900 -0.040 0.000 1.422 147 G CA -0.730 44.354 45.100 -0.027 0.000 0.942 147 G HN 0.633 nan 8.290 nan 0.000 0.510 148 I N 0.774 121.306 120.570 -0.064 0.000 2.577 148 I HA 0.660 4.722 4.170 -0.181 0.000 0.300 148 I C 0.539 176.521 176.117 -0.226 0.000 0.990 148 I CA -0.518 60.699 61.300 -0.139 0.000 1.283 148 I CB 1.597 39.510 38.000 -0.144 0.000 1.411 148 I HN 0.672 nan 8.210 nan 0.000 0.515 149 A N 4.278 126.887 122.820 -0.352 0.000 2.515 149 A HA 0.630 4.842 4.320 -0.181 0.000 0.298 149 A C -0.704 176.580 177.584 -0.500 0.000 1.059 149 A CA -0.432 51.411 52.037 -0.323 0.000 0.698 149 A CB 0.991 19.932 19.000 -0.097 0.000 1.289 149 A HN 0.873 nan 8.150 nan 0.000 0.404 150 H N 0.001 119.087 119.070 0.026 0.000 3.241 150 H HA 0.259 4.707 4.556 -0.181 0.000 0.260 150 H C 0.559 175.898 175.328 0.018 0.000 1.084 150 H CA 0.846 56.905 56.048 0.019 0.000 1.203 150 H CB 1.168 30.940 29.762 0.017 0.000 1.524 150 H HN 0.771 nan 8.280 nan 0.000 0.521 151 T N -2.961 111.650 114.554 0.095 0.000 2.883 151 T HA 0.202 4.444 4.350 -0.181 0.000 0.296 151 T C 0.874 175.609 174.700 0.057 0.000 1.117 151 T CA -0.930 61.215 62.100 0.074 0.000 1.006 151 T CB 2.030 70.943 68.868 0.076 0.000 1.191 151 T HN -0.054 nan 8.240 nan 0.000 0.508 152 M N 1.008 120.642 119.600 0.058 0.000 2.117 152 M HA 0.011 4.383 4.480 -0.181 0.000 0.262 152 M C 2.137 178.501 176.300 0.106 0.000 1.065 152 M CA 2.111 57.456 55.300 0.075 0.000 1.114 152 M CB -1.006 31.636 32.600 0.070 0.000 1.361 152 M HN 0.927 nan 8.290 nan 0.000 0.408 153 E N -0.469 119.779 120.200 0.080 0.000 2.077 153 E HA -0.259 3.983 4.350 -0.181 0.000 0.193 153 E C 1.898 178.540 176.600 0.069 0.000 0.989 153 E CA 1.758 58.201 56.400 0.072 0.000 0.800 153 E CB -0.274 29.459 29.700 0.054 0.000 0.746 153 E HN 0.714 nan 8.360 nan 0.000 0.452 154 E N -0.027 120.210 120.200 0.062 0.000 2.072 154 E HA -0.177 4.065 4.350 -0.181 0.000 0.191 154 E C 2.017 178.653 176.600 0.060 0.000 0.985 154 E CA 0.971 57.398 56.400 0.045 0.000 0.801 154 E CB -0.142 29.574 29.700 0.027 0.000 0.750 154 E HN 0.422 nan 8.360 nan 0.000 0.452 155 A N 0.913 123.794 122.820 0.102 0.000 1.883 155 A HA -0.206 4.006 4.320 -0.181 0.000 0.217 155 A C 2.160 179.927 177.584 0.304 0.000 1.186 155 A CA 1.289 53.451 52.037 0.208 0.000 0.624 155 A CB -0.811 18.306 19.000 0.195 0.000 0.822 155 A HN 0.184 nan 8.150 nan 0.000 0.444 156 L N -0.633 120.754 121.223 0.273 0.000 2.081 156 L HA -0.249 3.983 4.340 -0.181 0.000 0.212 156 L C 3.012 179.849 176.870 -0.055 0.000 1.080 156 L CA 1.244 56.145 54.840 0.101 0.000 0.754 156 L CB -0.528 41.589 42.059 0.097 0.000 0.893 156 L HN 0.438 nan 8.230 nan 0.000 0.433 157 A N -0.654 122.161 122.820 -0.008 0.000 1.930 157 A HA -0.102 4.109 4.320 -0.181 0.000 0.217 157 A C 2.360 179.898 177.584 -0.077 0.000 1.175 157 A CA 1.531 53.540 52.037 -0.046 0.000 0.627 157 A CB -0.672 18.317 19.000 -0.019 0.000 0.815 157 A HN 0.181 nan 8.150 nan 0.000 0.443 158 V N -0.114 119.772 119.914 -0.047 0.000 2.270 158 V HA -0.236 3.775 4.120 -0.181 0.000 0.245 158 V C 3.085 179.087 176.094 -0.155 0.000 1.043 158 V CA 1.884 64.147 62.300 -0.062 0.000 1.014 158 V CB -1.267 30.552 31.823 -0.006 0.000 0.645 158 V HN 0.603 nan 8.190 nan 0.000 0.447 159 A N 0.204 122.874 122.820 -0.251 0.000 1.917 159 A HA -0.240 3.972 4.320 -0.181 0.000 0.219 159 A C 2.389 179.633 177.584 -0.567 0.000 1.182 159 A CA 2.405 54.107 52.037 -0.558 0.000 0.633 159 A CB -0.918 17.388 19.000 -1.157 0.000 0.819 159 A HN 0.639 nan 8.150 nan 0.000 0.448 160 A N -0.709 121.864 122.820 -0.411 0.000 2.070 160 A HA -0.159 4.053 4.320 -0.181 0.000 0.220 160 A C 1.792 179.235 177.584 -0.235 0.000 1.159 160 A CA 2.172 54.023 52.037 -0.309 0.000 0.656 160 A CB -0.504 18.382 19.000 -0.190 0.000 0.800 160 A HN 0.592 nan 8.150 nan 0.000 0.453 161 D N -0.737 119.540 120.400 -0.204 0.000 2.216 161 D HA -0.073 4.458 4.640 -0.181 0.000 0.208 161 D C 1.777 177.987 176.300 -0.151 0.000 0.960 161 D CA 1.674 55.587 54.000 -0.145 0.000 0.861 161 D CB 0.062 40.800 40.800 -0.104 0.000 0.985 161 D HN 0.363 nan 8.370 nan 0.000 0.493 162 V N -2.854 116.947 119.914 -0.189 0.000 3.590 162 V HA 0.484 4.496 4.120 -0.181 0.000 0.265 162 V C 1.157 177.124 176.094 -0.211 0.000 1.239 162 V CA 0.450 62.651 62.300 -0.165 0.000 1.117 162 V CB -0.622 31.125 31.823 -0.126 0.000 0.818 162 V HN 0.286 nan 8.190 nan 0.000 0.451 163 G N 0.462 109.052 108.800 -0.350 0.000 2.880 163 G HA2 -0.223 3.629 3.960 -0.181 0.000 0.617 163 G HA3 -0.223 3.629 3.960 -0.181 0.000 0.617 163 G C -0.687 173.957 174.900 -0.428 0.000 1.493 163 G CA -0.024 44.822 45.100 -0.422 0.000 0.916 163 G HN 0.550 nan 8.290 nan 0.000 0.553 164 F N 1.436 121.351 119.950 -0.059 0.000 2.397 164 F HA 0.572 4.992 4.527 -0.179 0.000 0.331 164 F C -0.841 174.964 175.800 0.009 0.000 1.090 164 F CA -1.429 56.550 58.000 -0.035 0.000 1.065 164 F CB 1.687 40.683 39.000 -0.006 0.000 1.184 164 F HN 0.460 nan 8.300 nan 0.000 0.499 165 P HA 0.385 nan 4.420 nan 0.000 0.281 165 P C -1.246 176.102 177.300 0.080 0.000 1.264 165 P CA -0.541 62.655 63.100 0.160 0.000 0.824 165 P CB 1.200 32.814 31.700 -0.144 0.000 1.092 166 C N -0.444 118.918 119.300 0.103 0.000 2.971 166 C HA 0.779 5.131 4.460 -0.181 0.000 0.310 166 C C -0.531 174.473 174.990 0.024 0.000 1.285 166 C CA -0.926 58.120 59.018 0.046 0.000 1.593 166 C CB 0.232 28.003 27.740 0.050 0.000 2.076 166 C HN 0.385 nan 8.230 nan 0.000 0.472 167 I N 1.631 122.200 120.570 -0.001 0.000 2.377 167 I HA 0.538 4.600 4.170 -0.181 0.000 0.293 167 I C -0.058 176.062 176.117 0.006 0.000 0.987 167 I CA -0.648 60.641 61.300 -0.018 0.000 1.185 167 I CB 1.274 39.246 38.000 -0.045 0.000 1.341 167 I HN 0.572 nan 8.210 nan 0.000 0.455 168 I N 6.647 127.212 120.570 -0.010 0.000 2.354 168 I HA 0.485 4.546 4.170 -0.181 0.000 0.292 168 I C -0.160 175.932 176.117 -0.041 0.000 0.989 168 I CA -0.624 60.659 61.300 -0.028 0.000 1.188 168 I CB 0.803 38.755 38.000 -0.081 0.000 1.342 168 I HN 0.381 nan 8.210 nan 0.000 0.457 169 R N 6.825 127.302 120.500 -0.039 0.000 2.422 169 R HA 0.402 4.633 4.340 -0.181 0.000 0.307 169 R C -2.726 173.551 176.300 -0.039 0.000 1.004 169 R CA -1.810 54.265 56.100 -0.041 0.000 0.882 169 R CB 1.747 32.019 30.300 -0.047 0.000 1.164 169 R HN 0.241 nan 8.270 nan 0.000 0.489 170 P HA 0.070 nan 4.420 nan 0.000 0.272 170 P C -0.344 176.956 177.300 0.001 0.000 1.223 170 P CA -0.211 62.883 63.100 -0.011 0.000 0.784 170 P CB 0.843 32.540 31.700 -0.005 0.000 0.923 171 S N 1.229 116.955 115.700 0.045 0.000 2.565 171 S HA 0.334 4.696 4.470 -0.181 0.000 0.276 171 S C -0.039 174.667 174.600 0.176 0.000 1.326 171 S CA -0.079 58.160 58.200 0.064 0.000 1.045 171 S CB -0.856 62.439 63.200 0.159 0.000 0.918 171 S HN 0.442 nan 8.310 nan 0.000 0.505 172 F N 0.245 120.173 119.950 -0.037 0.000 3.058 172 F HA -0.223 4.195 4.527 -0.181 0.000 0.295 172 F C 0.796 176.569 175.800 -0.046 0.000 0.875 172 F CA 0.818 58.793 58.000 -0.041 0.000 1.150 172 F CB -2.002 36.977 39.000 -0.036 0.000 1.175 172 F HN 0.647 nan 8.300 nan 0.000 0.599 173 T N -1.736 112.847 114.554 0.047 0.000 2.883 173 T HA 0.868 5.110 4.350 -0.181 0.000 0.301 173 T C -0.340 174.345 174.700 -0.026 0.000 1.158 173 T CA -0.262 61.846 62.100 0.014 0.000 1.007 173 T CB 2.889 71.760 68.868 0.004 0.000 1.186 173 T HN 0.520 nan 8.240 nan 0.000 0.499 174 M N -0.113 119.474 119.600 -0.022 0.000 2.843 174 M HA 0.866 5.238 4.480 -0.181 0.000 0.273 174 M C 0.881 177.162 176.300 -0.031 0.000 1.286 174 M CA 0.329 55.625 55.300 -0.006 0.000 0.807 174 M CB 0.380 32.984 32.600 0.007 0.000 1.684 174 M HN 1.662 nan 8.290 nan 0.000 0.458 175 G N -0.783 108.001 108.800 -0.028 0.000 2.175 175 G HA2 0.158 4.010 3.960 -0.181 0.000 0.265 175 G HA3 0.158 4.010 3.960 -0.181 0.000 0.265 175 G C 1.203 175.810 174.900 -0.488 0.000 0.979 175 G CA 0.925 45.845 45.100 -0.299 0.000 0.663 175 G HN 2.611 nan 8.290 nan 0.000 0.533 176 G N -1.407 107.264 108.800 -0.214 0.000 2.198 176 G HA2 -0.055 3.797 3.960 -0.181 0.000 0.260 176 G HA3 -0.055 3.797 3.960 -0.181 0.000 0.260 176 G C 0.412 175.250 174.900 -0.104 0.000 1.025 176 G CA 0.865 45.908 45.100 -0.096 0.000 0.769 176 G HN 1.736 nan 8.290 nan 0.000 0.507 177 S N -0.005 115.632 115.700 -0.105 0.000 2.515 177 S HA 0.452 4.814 4.470 -0.181 0.000 0.285 177 S C 1.605 176.162 174.600 -0.071 0.000 1.265 177 S CA 1.179 59.321 58.200 -0.096 0.000 1.079 177 S CB 0.915 64.067 63.200 -0.080 0.000 0.877 177 S HN 2.095 nan 8.310 nan 0.000 0.493 178 G N 2.566 111.319 108.800 -0.080 0.000 2.159 178 G HA2 -0.161 3.691 3.960 -0.181 0.000 0.256 178 G HA3 -0.161 3.691 3.960 -0.181 0.000 0.256 178 G C 0.318 175.175 174.900 -0.071 0.000 0.977 178 G CA -0.036 45.021 45.100 -0.071 0.000 0.652 178 G HN 1.079 nan 8.290 nan 0.000 0.531 179 G N -1.608 107.153 108.800 -0.066 0.000 3.209 179 G HA2 1.073 4.925 3.960 -0.181 0.000 0.236 179 G HA3 1.073 4.925 3.960 -0.181 0.000 0.236 179 G C 0.288 175.155 174.900 -0.054 0.000 1.329 179 G CA 0.347 45.411 45.100 -0.060 0.000 1.015 179 G HN 1.862 nan 8.290 nan 0.000 0.571 180 G N -1.796 106.979 108.800 -0.042 0.000 2.359 180 G HA2 0.382 4.234 3.960 -0.181 0.000 0.293 180 G HA3 0.382 4.234 3.960 -0.181 0.000 0.293 180 G C -1.799 173.067 174.900 -0.057 0.000 1.300 180 G CA -0.757 44.323 45.100 -0.034 0.000 0.888 180 G HN 0.723 nan 8.290 nan 0.000 0.541 181 I N 1.200 121.716 120.570 -0.090 0.000 2.378 181 I HA 0.614 4.676 4.170 -0.181 0.000 0.291 181 I C 0.641 176.569 176.117 -0.314 0.000 0.992 181 I CA -0.669 60.499 61.300 -0.219 0.000 1.154 181 I CB 1.989 39.786 38.000 -0.340 0.000 1.315 181 I HN 0.810 nan 8.210 nan 0.000 0.448 182 A N 5.622 128.325 122.820 -0.195 0.000 2.252 182 A HA 0.463 4.675 4.320 -0.181 0.000 0.309 182 A C -0.325 177.109 177.584 -0.250 0.000 1.285 182 A CA -0.201 51.780 52.037 -0.094 0.000 0.900 182 A CB -0.011 19.192 19.000 0.337 0.000 1.157 182 A HN 0.743 nan 8.150 nan 0.000 0.536 183 Y N 1.703 121.929 120.300 -0.123 0.000 2.503 183 Y HA 0.090 4.530 4.550 -0.182 0.000 0.278 183 Y C 0.962 176.554 175.900 -0.512 0.000 1.111 183 Y CA 0.777 58.778 58.100 -0.165 0.000 1.270 183 Y CB 0.175 38.586 38.460 -0.082 0.000 1.063 183 Y HN 0.885 nan 8.280 nan 0.000 0.548 184 N N -2.253 116.044 118.700 -0.672 0.000 2.853 184 N HA 0.214 4.845 4.740 -0.181 0.000 0.258 184 N C 0.372 175.356 175.510 -0.877 0.000 1.444 184 N CA -0.992 51.512 53.050 -0.910 0.000 0.837 184 N CB 0.709 39.011 38.487 -0.308 0.000 1.489 184 N HN -0.216 nan 8.380 nan 0.000 0.529 185 R N -0.008 120.206 120.500 -0.476 0.000 2.081 185 R HA -0.158 4.074 4.340 -0.181 0.000 0.235 185 R C 1.314 177.666 176.300 0.087 0.000 1.131 185 R CA 1.851 57.945 56.100 -0.011 0.000 0.960 185 R CB -0.258 30.112 30.300 0.116 0.000 0.856 185 R HN 0.853 nan 8.270 nan 0.000 0.436 186 E N 0.485 120.688 120.200 0.004 0.000 2.033 186 E HA -0.242 4.000 4.350 -0.181 0.000 0.199 186 E C 1.781 178.399 176.600 0.030 0.000 1.011 186 E CA 1.858 58.273 56.400 0.025 0.000 0.815 186 E CB -0.004 29.696 29.700 -0.000 0.000 0.755 186 E HN 0.436 nan 8.360 nan 0.000 0.451 187 E N -0.424 119.774 120.200 -0.004 0.000 2.085 187 E HA -0.203 4.039 4.350 -0.181 0.000 0.194 187 E C 1.926 178.541 176.600 0.026 0.000 0.994 187 E CA 1.088 57.488 56.400 0.001 0.000 0.801 187 E CB -0.262 29.429 29.700 -0.016 0.000 0.743 187 E HN 0.317 nan 8.360 nan 0.000 0.453 188 F N 2.106 122.000 119.950 -0.092 0.000 2.069 188 F HA -0.230 4.189 4.527 -0.180 0.000 0.298 188 F C 2.163 177.977 175.800 0.023 0.000 1.113 188 F CA 1.698 59.699 58.000 0.001 0.000 1.214 188 F CB 0.075 39.136 39.000 0.101 0.000 0.978 188 F HN -0.056 nan 8.300 nan 0.000 0.474 189 E N -0.112 120.151 120.200 0.106 0.000 2.051 189 E HA -0.279 3.963 4.350 -0.181 0.000 0.192 189 E C 2.214 178.755 176.600 -0.099 0.000 0.991 189 E CA 1.315 57.711 56.400 -0.007 0.000 0.799 189 E CB -0.417 29.349 29.700 0.108 0.000 0.748 189 E HN 0.568 nan 8.360 nan 0.000 0.449 190 E N 0.936 121.100 120.200 -0.059 0.000 2.049 190 E HA -0.245 3.997 4.350 -0.181 0.000 0.198 190 E C 2.134 178.667 176.600 -0.111 0.000 1.007 190 E CA 1.353 57.714 56.400 -0.065 0.000 0.809 190 E CB -0.124 29.553 29.700 -0.038 0.000 0.749 190 E HN 0.230 nan 8.360 nan 0.000 0.450 191 I N 0.460 120.940 120.570 -0.150 0.000 2.202 191 I HA -0.318 3.744 4.170 -0.181 0.000 0.242 191 I C 2.804 178.786 176.117 -0.225 0.000 1.091 191 I CA 0.787 61.983 61.300 -0.172 0.000 1.368 191 I CB -0.331 37.563 38.000 -0.176 0.000 1.058 191 I HN 0.313 nan 8.210 nan 0.000 0.410 192 C N 0.827 119.906 119.300 -0.367 0.000 2.413 192 C HA -0.185 4.166 4.460 -0.181 0.000 0.276 192 C C 3.213 178.094 174.990 -0.181 0.000 1.248 192 C CA 1.054 59.863 59.018 -0.348 0.000 1.742 192 C CB -1.248 26.157 27.740 -0.559 0.000 2.017 192 C HN 0.611 nan 8.230 nan 0.000 0.481 193 A N 0.194 122.929 122.820 -0.142 0.000 1.902 193 A HA -0.221 3.991 4.320 -0.181 0.000 0.217 193 A C 2.225 179.760 177.584 -0.081 0.000 1.181 193 A CA 1.896 53.885 52.037 -0.081 0.000 0.623 193 A CB -0.597 18.369 19.000 -0.057 0.000 0.818 193 A HN 0.665 nan 8.150 nan 0.000 0.443 194 R N -0.660 119.780 120.500 -0.099 0.000 2.075 194 R HA -0.061 4.170 4.340 -0.181 0.000 0.232 194 R C 2.239 178.492 176.300 -0.078 0.000 1.126 194 R CA 1.503 57.547 56.100 -0.094 0.000 0.963 194 R CB -0.650 29.592 30.300 -0.097 0.000 0.858 194 R HN 0.436 nan 8.270 nan 0.000 0.435 195 G N 0.801 109.548 108.800 -0.088 0.000 2.402 195 G HA2 -0.213 3.639 3.960 -0.181 0.000 0.216 195 G HA3 -0.213 3.639 3.960 -0.181 0.000 0.216 195 G C 1.427 176.301 174.900 -0.044 0.000 1.162 195 G CA 0.526 45.583 45.100 -0.072 0.000 0.777 195 G HN 0.234 nan 8.290 nan 0.000 0.539 196 L N 0.014 121.210 121.223 -0.044 0.000 2.093 196 L HA -0.046 4.186 4.340 -0.181 0.000 0.208 196 L C 2.498 179.369 176.870 0.001 0.000 1.085 196 L CA 1.406 56.239 54.840 -0.011 0.000 0.755 196 L CB -0.264 41.791 42.059 -0.008 0.000 0.904 196 L HN 0.216 nan 8.230 nan 0.000 0.435 197 D N -0.249 120.145 120.400 -0.011 0.000 2.097 197 D HA -0.201 4.330 4.640 -0.181 0.000 0.197 197 D C 2.048 178.346 176.300 -0.003 0.000 0.984 197 D CA 0.733 54.732 54.000 -0.002 0.000 0.826 197 D CB 0.137 40.930 40.800 -0.010 0.000 0.973 197 D HN 0.032 nan 8.370 nan 0.000 0.460 198 L N 0.362 121.576 121.223 -0.015 0.000 2.131 198 L HA 0.022 4.253 4.340 -0.181 0.000 0.210 198 L C 0.771 177.642 176.870 0.001 0.000 1.092 198 L CA 0.976 55.808 54.840 -0.013 0.000 0.759 198 L CB -0.728 41.313 42.059 -0.029 0.000 0.903 198 L HN -0.090 nan 8.230 nan 0.000 0.435 199 S N -0.076 115.630 115.700 0.010 0.000 2.515 199 S HA 0.091 4.453 4.470 -0.181 0.000 0.285 199 S C -1.370 173.243 174.600 0.021 0.000 1.265 199 S CA -1.010 57.212 58.200 0.037 0.000 1.079 199 S CB 0.515 63.747 63.200 0.055 0.000 0.877 199 S HN 0.122 nan 8.310 nan 0.000 0.493 200 P HA -0.061 nan 4.420 nan 0.000 0.219 200 P C 1.015 178.251 177.300 -0.107 0.000 1.146 200 P CA 1.217 64.270 63.100 -0.078 0.000 0.808 200 P CB -0.149 31.451 31.700 -0.168 0.000 0.779 201 T N -5.125 109.405 114.554 -0.040 0.000 3.134 201 T HA 0.203 4.445 4.350 -0.181 0.000 0.260 201 T C 0.671 175.396 174.700 0.041 0.000 1.027 201 T CA -0.575 61.511 62.100 -0.023 0.000 0.913 201 T CB -0.541 68.350 68.868 0.039 0.000 1.046 201 T HN -0.024 nan 8.240 nan 0.000 0.553 202 K N 1.306 121.734 120.400 0.046 0.000 3.278 202 K HA -0.216 3.996 4.320 -0.181 0.000 0.270 202 K C -0.467 176.233 176.600 0.166 0.000 0.955 202 K CA 0.792 57.122 56.287 0.072 0.000 0.723 202 K CB -1.023 31.504 32.500 0.045 0.000 1.382 202 K HN 0.865 nan 8.250 nan 0.000 0.461 203 E N 0.954 121.250 120.200 0.161 0.000 2.331 203 E HA 0.495 4.736 4.350 -0.181 0.000 0.275 203 E C -1.097 175.534 176.600 0.052 0.000 0.895 203 E CA -0.901 55.613 56.400 0.190 0.000 0.753 203 E CB 1.250 31.146 29.700 0.327 0.000 1.216 203 E HN 0.235 nan 8.360 nan 0.000 0.434 204 L N 2.805 124.005 121.223 -0.037 0.000 2.309 204 L HA 0.644 4.876 4.340 -0.181 0.000 0.261 204 L C -1.102 175.728 176.870 -0.066 0.000 1.021 204 L CA -1.316 53.494 54.840 -0.049 0.000 0.823 204 L CB 1.950 43.970 42.059 -0.065 0.000 1.366 204 L HN 0.517 nan 8.230 nan 0.000 0.423 205 L N 1.945 123.142 121.223 -0.042 0.000 2.441 205 L HA 0.575 4.807 4.340 -0.181 0.000 0.270 205 L C -1.292 175.568 176.870 -0.017 0.000 0.973 205 L CA 0.083 54.904 54.840 -0.031 0.000 0.842 205 L CB 1.563 43.609 42.059 -0.021 0.000 1.239 205 L HN 0.347 nan 8.230 nan 0.000 0.406 206 I N 4.440 125.011 120.570 0.001 0.000 2.339 206 I HA 0.430 4.492 4.170 -0.181 0.000 0.290 206 I C -0.824 175.297 176.117 0.005 0.000 0.994 206 I CA -0.091 61.230 61.300 0.036 0.000 1.191 206 I CB 1.340 39.408 38.000 0.113 0.000 1.343 206 I HN 0.585 nan 8.210 nan 0.000 0.458 207 D N 4.425 124.821 120.400 -0.008 0.000 2.350 207 D HA 0.305 4.836 4.640 -0.181 0.000 0.238 207 D C -0.533 175.735 176.300 -0.054 0.000 0.989 207 D CA -0.816 53.161 54.000 -0.039 0.000 0.921 207 D CB 0.990 41.756 40.800 -0.056 0.000 1.297 207 D HN 0.543 nan 8.370 nan 0.000 0.490 208 E N -0.118 120.037 120.200 -0.075 0.000 2.398 208 E HA 0.163 4.404 4.350 -0.181 0.000 0.263 208 E C -0.253 176.280 176.600 -0.112 0.000 1.046 208 E CA -0.565 55.783 56.400 -0.088 0.000 0.908 208 E CB 0.831 30.478 29.700 -0.088 0.000 0.963 208 E HN 0.215 nan 8.360 nan 0.000 0.431 209 S N 3.026 118.670 115.700 -0.094 0.000 2.549 209 S HA 0.052 4.413 4.470 -0.181 0.000 0.286 209 S C 0.386 174.861 174.600 -0.208 0.000 1.314 209 S CA -0.400 57.733 58.200 -0.111 0.000 1.062 209 S CB 0.017 63.192 63.200 -0.042 0.000 0.865 209 S HN 0.586 nan 8.310 nan 0.000 0.498 210 L N 5.186 126.228 121.223 -0.302 0.000 3.358 210 L HA 0.395 4.627 4.340 -0.181 0.000 0.301 210 L C -0.166 176.510 176.870 -0.323 0.000 1.276 210 L CA -0.330 54.123 54.840 -0.645 0.000 1.028 210 L CB 0.056 41.534 42.059 -0.969 0.000 1.421 210 L HN 0.614 nan 8.230 nan 0.000 0.604 211 I N 1.427 121.936 120.570 -0.102 0.000 2.741 211 I HA -0.011 4.051 4.170 -0.181 0.000 0.288 211 I C 1.492 177.677 176.117 0.113 0.000 1.192 211 I CA 1.453 62.764 61.300 0.019 0.000 1.426 211 I CB 0.394 38.425 38.000 0.051 0.000 1.367 211 I HN 0.482 nan 8.210 nan 0.000 0.563 212 G N 4.444 113.325 108.800 0.135 0.000 2.232 212 G HA2 -0.216 3.636 3.960 -0.181 0.000 0.226 212 G HA3 -0.216 3.636 3.960 -0.181 0.000 0.226 212 G C -0.114 174.974 174.900 0.312 0.000 0.996 212 G CA -0.643 44.558 45.100 0.168 0.000 0.626 212 G HN 0.491 nan 8.290 nan 0.000 0.509 213 W N 1.843 123.166 121.300 0.039 0.000 2.093 213 W HA 0.640 5.192 4.660 -0.181 0.000 0.352 213 W C 1.072 177.624 176.519 0.054 0.000 1.294 213 W CA -0.632 56.753 57.345 0.066 0.000 1.290 213 W CB 0.358 29.865 29.460 0.078 0.000 1.149 213 W HN 0.012 nan 8.180 nan 0.000 0.606 214 K N 1.323 121.894 120.400 0.285 0.000 2.295 214 K HA 0.125 4.337 4.320 -0.181 0.000 0.270 214 K C -0.312 176.363 176.600 0.125 0.000 1.011 214 K CA -0.282 56.082 56.287 0.128 0.000 0.953 214 K CB 0.787 33.351 32.500 0.106 0.000 0.956 214 K HN 0.385 nan 8.250 nan 0.000 0.477 215 E N 2.396 122.548 120.200 -0.081 0.000 2.176 215 E HA 0.258 4.499 4.350 -0.181 0.000 0.267 215 E C -1.562 174.912 176.600 -0.211 0.000 0.893 215 E CA -0.557 55.829 56.400 -0.024 0.000 0.761 215 E CB 0.775 30.477 29.700 0.002 0.000 1.133 215 E HN 0.359 nan 8.360 nan 0.000 0.409 216 Y N 1.449 121.850 120.300 0.168 0.000 2.602 216 Y HA 0.445 4.887 4.550 -0.179 0.000 0.342 216 Y C -0.306 175.713 175.900 0.198 0.000 1.029 216 Y CA -0.788 57.412 58.100 0.166 0.000 1.080 216 Y CB 2.264 40.814 38.460 0.150 0.000 1.284 216 Y HN 0.436 nan 8.280 nan 0.000 0.485 217 E N 1.744 122.156 120.200 0.354 0.000 2.356 217 E HA 0.619 4.860 4.350 -0.181 0.000 0.275 217 E C -1.558 175.171 176.600 0.214 0.000 0.904 217 E CA -0.954 55.591 56.400 0.241 0.000 0.757 217 E CB 3.169 32.940 29.700 0.117 0.000 1.232 217 E HN 0.473 nan 8.360 nan 0.000 0.442 218 M N 1.699 121.410 119.600 0.184 0.000 2.327 218 M HA 0.260 4.632 4.480 -0.181 0.000 0.298 218 M C -1.167 175.170 176.300 0.061 0.000 1.065 218 M CA -0.814 54.553 55.300 0.111 0.000 0.916 218 M CB 2.292 34.948 32.600 0.093 0.000 1.630 218 M HN 0.297 nan 8.290 nan 0.000 0.442 219 E N 3.313 123.525 120.200 0.020 0.000 2.089 219 E HA 0.411 4.653 4.350 -0.181 0.000 0.284 219 E C -1.004 175.566 176.600 -0.050 0.000 1.023 219 E CA -0.198 56.196 56.400 -0.010 0.000 0.819 219 E CB 1.289 30.979 29.700 -0.018 0.000 1.076 219 E HN 0.351 nan 8.360 nan 0.000 0.396 220 V N 2.603 122.499 119.914 -0.031 0.000 2.769 220 V HA 0.524 4.536 4.120 -0.181 0.000 0.312 220 V C 0.122 176.191 176.094 -0.040 0.000 1.058 220 V CA -0.949 61.325 62.300 -0.043 0.000 0.952 220 V CB 2.192 34.012 31.823 -0.006 0.000 1.019 220 V HN 0.321 nan 8.190 nan 0.000 0.445 221 V N 3.372 123.255 119.914 -0.052 0.000 2.709 221 V HA 0.680 4.691 4.120 -0.181 0.000 0.308 221 V C -0.349 175.754 176.094 0.014 0.000 1.062 221 V CA -0.732 61.561 62.300 -0.012 0.000 0.901 221 V CB 1.988 33.809 31.823 -0.004 0.000 1.003 221 V HN 0.935 nan 8.190 nan 0.000 0.425 222 R N 2.249 122.771 120.500 0.037 0.000 2.673 222 R HA 0.650 4.882 4.340 -0.181 0.000 0.281 222 R C -1.575 174.759 176.300 0.056 0.000 0.991 222 R CA -0.475 55.650 56.100 0.041 0.000 0.896 222 R CB 2.153 32.472 30.300 0.033 0.000 1.201 222 R HN 0.970 nan 8.270 nan 0.000 0.457 223 D N 1.313 121.749 120.400 0.059 0.000 2.506 223 D HA 0.152 4.684 4.640 -0.181 0.000 0.254 223 D C 0.282 176.614 176.300 0.053 0.000 1.089 223 D CA -0.810 53.231 54.000 0.067 0.000 1.050 223 D CB 1.003 41.856 40.800 0.087 0.000 1.221 223 D HN 0.591 nan 8.370 nan 0.000 0.589 224 K N -0.704 119.728 120.400 0.053 0.000 2.365 224 K HA -0.008 4.203 4.320 -0.181 0.000 0.199 224 K C 0.429 177.050 176.600 0.036 0.000 1.045 224 K CA 0.648 56.958 56.287 0.039 0.000 0.962 224 K CB -0.296 32.223 32.500 0.032 0.000 0.759 224 K HN 0.101 nan 8.250 nan 0.000 0.469 225 N N 1.235 119.961 118.700 0.043 0.000 2.336 225 N HA -0.050 4.581 4.740 -0.181 0.000 0.189 225 N C -0.568 174.963 175.510 0.036 0.000 1.113 225 N CA 0.634 53.707 53.050 0.039 0.000 0.858 225 N CB 0.215 38.728 38.487 0.044 0.000 0.970 225 N HN 0.301 nan 8.380 nan 0.000 0.471 226 D N -0.529 119.893 120.400 0.036 0.000 3.103 226 D HA -0.148 4.383 4.640 -0.181 0.000 0.211 226 D C -1.061 175.260 176.300 0.036 0.000 1.100 226 D CA 0.342 54.361 54.000 0.032 0.000 0.961 226 D CB -1.504 39.310 40.800 0.025 0.000 1.093 226 D HN 0.170 nan 8.370 nan 0.000 0.427 227 N N 0.514 119.241 118.700 0.045 0.000 2.514 227 N HA 0.361 4.993 4.740 -0.181 0.000 0.277 227 N C -0.247 175.290 175.510 0.045 0.000 1.126 227 N CA 0.056 53.136 53.050 0.050 0.000 0.978 227 N CB 1.457 39.983 38.487 0.066 0.000 1.106 227 N HN 0.291 nan 8.380 nan 0.000 0.461 228 C N 3.549 122.870 119.300 0.035 0.000 2.698 228 C HA 0.777 5.129 4.460 -0.181 0.000 0.309 228 C C -0.677 174.316 174.990 0.005 0.000 1.186 228 C CA -0.681 58.349 59.018 0.020 0.000 1.474 228 C CB -0.127 27.622 27.740 0.016 0.000 2.020 228 C HN 0.771 nan 8.230 nan 0.000 0.474 229 I N 2.829 123.383 120.570 -0.027 0.000 2.994 229 I HA 0.650 4.712 4.170 -0.181 0.000 0.306 229 I C -1.413 174.636 176.117 -0.113 0.000 1.195 229 I CA -0.899 60.358 61.300 -0.071 0.000 1.001 229 I CB 1.828 39.754 38.000 -0.123 0.000 1.244 229 I HN 0.269 nan 8.210 nan 0.000 0.437 230 I N 4.412 124.913 120.570 -0.115 0.000 2.307 230 I HA 0.197 4.259 4.170 -0.181 0.000 0.289 230 I C 1.071 177.062 176.117 -0.210 0.000 1.021 230 I CA -0.435 60.796 61.300 -0.115 0.000 1.224 230 I CB 1.340 39.315 38.000 -0.042 0.000 1.376 230 I HN 0.560 nan 8.210 nan 0.000 0.470 231 V N 5.029 124.764 119.914 -0.298 0.000 2.488 231 V HA -0.072 3.940 4.120 -0.181 0.000 0.246 231 V C 0.809 176.770 176.094 -0.222 0.000 1.046 231 V CA 1.052 63.081 62.300 -0.451 0.000 1.053 231 V CB 0.167 31.646 31.823 -0.574 0.000 0.679 231 V HN 0.880 nan 8.190 nan 0.000 0.458 232 C N -0.447 118.789 119.300 -0.107 0.000 3.284 232 C HA 0.622 4.974 4.460 -0.181 0.000 0.338 232 C C -0.364 174.649 174.990 0.038 0.000 1.237 232 C CA -0.273 58.733 59.018 -0.020 0.000 1.276 232 C CB 1.374 29.111 27.740 -0.005 0.000 1.601 232 C HN 0.497 nan 8.230 nan 0.000 0.494 233 S N 3.229 118.984 115.700 0.090 0.000 2.536 233 S HA 0.913 5.275 4.470 -0.181 0.000 0.298 233 S C -1.146 173.547 174.600 0.155 0.000 1.083 233 S CA -0.540 57.741 58.200 0.135 0.000 0.995 233 S CB 1.359 64.686 63.200 0.212 0.000 1.058 233 S HN 0.728 nan 8.310 nan 0.000 0.488 234 I N 1.162 121.848 120.570 0.194 0.000 2.619 234 I HA 0.448 4.510 4.170 -0.181 0.000 0.292 234 I C -0.724 175.534 176.117 0.235 0.000 1.100 234 I CA -0.358 61.051 61.300 0.181 0.000 1.043 234 I CB 2.361 40.436 38.000 0.125 0.000 1.239 234 I HN 0.860 nan 8.210 nan 0.000 0.420 235 E N 6.047 126.353 120.200 0.177 0.000 2.155 235 E HA 0.342 4.583 4.350 -0.181 0.000 0.264 235 E C -0.971 175.633 176.600 0.006 0.000 0.886 235 E CA -0.583 55.831 56.400 0.023 0.000 0.752 235 E CB 0.936 30.726 29.700 0.150 0.000 1.133 235 E HN 0.541 nan 8.360 nan 0.000 0.414 236 N N 4.448 123.084 118.700 -0.107 0.000 2.497 236 N HA 0.021 4.652 4.740 -0.181 0.000 0.268 236 N C 0.313 175.794 175.510 -0.049 0.000 1.171 236 N CA -0.090 52.938 53.050 -0.036 0.000 0.948 236 N CB 0.631 39.092 38.487 -0.043 0.000 1.069 236 N HN 0.549 nan 8.380 nan 0.000 0.460 237 F N 2.445 122.232 119.950 -0.271 0.000 2.084 237 F HA -0.051 4.368 4.527 -0.180 0.000 0.296 237 F C 0.630 176.274 175.800 -0.261 0.000 1.111 237 F CA 0.968 58.632 58.000 -0.560 0.000 1.224 237 F CB 0.226 38.907 39.000 -0.532 0.000 0.991 237 F HN 0.398 nan 8.300 nan 0.000 0.471 238 D N 1.574 122.038 120.400 0.107 0.000 2.351 238 D HA 0.295 4.827 4.640 -0.181 0.000 0.251 238 D C 0.436 176.734 176.300 -0.003 0.000 1.137 238 D CA 0.413 54.446 54.000 0.056 0.000 0.879 238 D CB 1.392 42.293 40.800 0.168 0.000 1.181 238 D HN 0.342 nan 8.370 nan 0.000 0.448 239 A N 3.238 126.046 122.820 -0.019 0.000 2.256 239 A HA 0.221 4.432 4.320 -0.181 0.000 0.276 239 A C 0.720 178.327 177.584 0.038 0.000 1.259 239 A CA -0.403 51.642 52.037 0.013 0.000 0.813 239 A CB 0.207 19.221 19.000 0.024 0.000 1.200 239 A HN 0.532 nan 8.150 nan 0.000 0.506 240 M N -0.150 119.490 119.600 0.065 0.000 2.238 240 M HA 0.318 4.690 4.480 -0.181 0.000 0.350 240 M C 1.261 177.583 176.300 0.036 0.000 1.321 240 M CA 1.672 57.000 55.300 0.047 0.000 1.097 240 M CB -0.154 32.481 32.600 0.057 0.000 1.713 240 M HN 1.325 nan 8.290 nan 0.000 0.455 241 G N 3.682 112.498 108.800 0.027 0.000 2.480 241 G HA2 -0.111 3.740 3.960 -0.181 0.000 0.193 241 G HA3 -0.111 3.740 3.960 -0.181 0.000 0.193 241 G C -0.003 174.940 174.900 0.072 0.000 1.004 241 G CA -0.679 44.446 45.100 0.042 0.000 0.696 241 G HN 0.562 nan 8.290 nan 0.000 0.478 242 I N 2.477 123.093 120.570 0.077 0.000 2.389 242 I HA 0.334 4.396 4.170 -0.181 0.000 0.288 242 I C 0.535 176.724 176.117 0.120 0.000 0.999 242 I CA -1.030 60.342 61.300 0.119 0.000 1.129 242 I CB 1.395 39.470 38.000 0.125 0.000 1.288 242 I HN 0.134 nan 8.210 nan 0.000 0.444 243 H N 5.006 124.121 119.070 0.075 0.000 3.038 243 H HA -0.058 4.390 4.556 -0.179 0.000 0.338 243 H C 1.152 176.518 175.328 0.063 0.000 1.041 243 H CA 1.192 57.274 56.048 0.057 0.000 1.394 243 H CB 1.347 31.141 29.762 0.053 0.000 1.357 243 H HN 0.858 nan 8.280 nan 0.000 0.600 244 T N 0.666 115.039 114.554 -0.301 0.000 2.737 244 T HA -0.151 4.091 4.350 -0.181 0.000 0.269 244 T C 2.078 176.842 174.700 0.107 0.000 1.040 244 T CA 1.183 63.230 62.100 -0.088 0.000 1.142 244 T CB -0.631 68.140 68.868 -0.162 0.000 0.861 244 T HN 0.630 nan 8.240 nan 0.000 0.456 245 G N 0.454 109.474 108.800 0.367 0.000 2.534 245 G HA2 -0.005 3.847 3.960 -0.181 0.000 0.217 245 G HA3 -0.005 3.847 3.960 -0.181 0.000 0.217 245 G C 1.054 176.046 174.900 0.153 0.000 1.128 245 G CA 0.511 45.755 45.100 0.239 0.000 0.784 245 G HN 0.476 nan 8.290 nan 0.000 0.542 246 D N -0.390 120.156 120.400 0.243 0.000 2.398 246 D HA 0.227 4.759 4.640 -0.181 0.000 0.210 246 D C 0.588 177.070 176.300 0.303 0.000 1.094 246 D CA 0.037 54.213 54.000 0.293 0.000 0.839 246 D CB 0.666 41.706 40.800 0.400 0.000 0.963 246 D HN 0.047 nan 8.370 nan 0.000 0.506 247 S N -0.038 115.777 115.700 0.192 0.000 2.617 247 S HA 0.438 4.799 4.470 -0.181 0.000 0.283 247 S C 0.390 175.047 174.600 0.094 0.000 1.189 247 S CA -0.615 57.677 58.200 0.153 0.000 1.036 247 S CB 1.606 64.870 63.200 0.108 0.000 1.014 247 S HN 0.056 nan 8.310 nan 0.000 0.522 248 I N 3.009 123.622 120.570 0.073 0.000 2.496 248 I HA 0.199 4.261 4.170 -0.181 0.000 0.285 248 I C 0.732 176.857 176.117 0.012 0.000 1.080 248 I CA 0.102 61.375 61.300 -0.045 0.000 1.404 248 I CB 0.778 38.595 38.000 -0.304 0.000 1.403 248 I HN 0.654 nan 8.210 nan 0.000 0.539 249 T N 3.954 118.511 114.554 0.005 0.000 2.906 249 T HA 0.773 5.015 4.350 -0.181 0.000 0.295 249 T C -0.541 174.194 174.700 0.059 0.000 1.075 249 T CA -0.736 61.388 62.100 0.041 0.000 1.005 249 T CB 2.008 70.903 68.868 0.044 0.000 1.136 249 T HN 0.424 nan 8.240 nan 0.000 0.498 250 V N -1.598 118.385 119.914 0.115 0.000 3.007 250 V HA 1.020 5.031 4.120 -0.181 0.000 0.311 250 V C -0.583 175.601 176.094 0.151 0.000 1.120 250 V CA -1.189 61.205 62.300 0.158 0.000 0.980 250 V CB 1.219 33.210 31.823 0.280 0.000 1.033 250 V HN 1.571 nan 8.190 nan 0.000 0.429 251 A N 4.312 127.209 122.820 0.128 0.000 2.371 251 A HA 1.048 5.260 4.320 -0.181 0.000 0.311 251 A C -2.841 174.791 177.584 0.079 0.000 1.068 251 A CA -1.789 50.310 52.037 0.102 0.000 0.744 251 A CB 1.900 20.948 19.000 0.079 0.000 1.239 251 A HN 0.782 nan 8.150 nan 0.000 0.435 252 P HA 0.495 nan 4.420 nan 0.000 0.328 252 P C 0.108 177.470 177.300 0.104 0.000 1.305 252 P CA -0.255 62.883 63.100 0.063 0.000 0.745 252 P CB 0.530 32.232 31.700 0.003 0.000 1.462 253 A N 0.059 122.973 122.820 0.157 0.000 2.483 253 A HA 0.101 4.313 4.320 -0.181 0.000 0.238 253 A C 1.144 178.744 177.584 0.027 0.000 1.070 253 A CA 0.200 52.368 52.037 0.219 0.000 0.770 253 A CB -0.314 18.868 19.000 0.303 0.000 1.008 253 A HN 0.453 nan 8.150 nan 0.000 0.497 254 Q N 0.320 120.071 119.800 -0.082 0.000 2.511 254 Q HA 0.005 4.237 4.340 -0.181 0.000 0.236 254 Q C 1.338 177.020 176.000 -0.530 0.000 0.893 254 Q CA 1.642 57.163 55.803 -0.470 0.000 0.947 254 Q CB -0.193 27.898 28.738 -1.077 0.000 1.110 254 Q HN 0.976 nan 8.270 nan 0.000 0.591 255 T N -1.346 112.996 114.554 -0.352 0.000 3.251 255 T HA 0.466 4.708 4.350 -0.181 0.000 0.259 255 T C 0.478 175.121 174.700 -0.096 0.000 0.998 255 T CA -0.131 61.807 62.100 -0.269 0.000 0.905 255 T CB -0.390 68.359 68.868 -0.197 0.000 1.067 255 T HN -0.094 nan 8.240 nan 0.000 0.569 256 L N 2.662 123.838 121.223 -0.079 0.000 2.317 256 L HA 0.502 4.733 4.340 -0.181 0.000 0.281 256 L C 0.915 177.735 176.870 -0.084 0.000 1.024 256 L CA -1.046 53.743 54.840 -0.085 0.000 0.810 256 L CB 1.816 43.788 42.059 -0.145 0.000 1.240 256 L HN 0.321 nan 8.230 nan 0.000 0.427 257 T N -2.549 111.959 114.554 -0.077 0.000 2.813 257 T HA 0.008 4.250 4.350 -0.181 0.000 0.297 257 T C 0.740 175.411 174.700 -0.048 0.000 1.036 257 T CA -0.455 61.603 62.100 -0.070 0.000 1.044 257 T CB 1.193 70.024 68.868 -0.061 0.000 0.993 257 T HN 0.702 nan 8.240 nan 0.000 0.535 258 D N 0.267 120.632 120.400 -0.057 0.000 2.149 258 D HA -0.128 4.404 4.640 -0.181 0.000 0.198 258 D C 2.012 178.318 176.300 0.010 0.000 0.990 258 D CA 1.406 55.384 54.000 -0.038 0.000 0.839 258 D CB -0.059 40.699 40.800 -0.069 0.000 0.948 258 D HN 0.643 nan 8.370 nan 0.000 0.460 259 K N -0.089 120.299 120.400 -0.021 0.000 2.063 259 K HA -0.183 4.029 4.320 -0.181 0.000 0.208 259 K C 2.157 178.732 176.600 -0.041 0.000 1.048 259 K CA 1.555 57.826 56.287 -0.027 0.000 0.928 259 K CB -0.066 32.413 32.500 -0.036 0.000 0.713 259 K HN 0.332 nan 8.250 nan 0.000 0.442 260 E N -0.494 119.670 120.200 -0.059 0.000 2.107 260 E HA -0.191 4.051 4.350 -0.181 0.000 0.191 260 E C 1.822 178.326 176.600 -0.160 0.000 0.982 260 E CA 0.832 57.161 56.400 -0.117 0.000 0.809 260 E CB -0.157 29.460 29.700 -0.138 0.000 0.756 260 E HN 0.316 nan 8.360 nan 0.000 0.459 261 Y N 2.050 122.222 120.300 -0.214 0.000 2.128 261 Y HA -0.291 4.150 4.550 -0.181 0.000 0.284 261 Y C 2.294 178.079 175.900 -0.193 0.000 1.154 261 Y CA 1.672 59.636 58.100 -0.227 0.000 1.149 261 Y CB 0.178 38.535 38.460 -0.173 0.000 0.976 261 Y HN -0.030 nan 8.280 nan 0.000 0.505 262 Q N 0.007 119.823 119.800 0.027 0.000 2.172 262 Q HA -0.111 4.121 4.340 -0.181 0.000 0.200 262 Q C 2.444 178.370 176.000 -0.125 0.000 0.964 262 Q CA 1.526 57.315 55.803 -0.024 0.000 0.855 262 Q CB -0.311 28.439 28.738 0.020 0.000 0.918 262 Q HN 0.620 nan 8.270 nan 0.000 0.444 263 I N 0.287 120.769 120.570 -0.147 0.000 2.252 263 I HA -0.245 3.817 4.170 -0.181 0.000 0.245 263 I C 2.475 178.446 176.117 -0.243 0.000 1.102 263 I CA 0.855 62.063 61.300 -0.154 0.000 1.385 263 I CB -0.180 37.737 38.000 -0.139 0.000 1.064 263 I HN 0.208 nan 8.210 nan 0.000 0.414 264 M N 0.604 119.962 119.600 -0.404 0.000 2.086 264 M HA -0.254 4.118 4.480 -0.181 0.000 0.261 264 M C 2.541 178.544 176.300 -0.495 0.000 1.067 264 M CA 1.757 56.662 55.300 -0.658 0.000 1.116 264 M CB -0.202 31.864 32.600 -0.890 0.000 1.348 264 M HN 0.072 nan 8.290 nan 0.000 0.407 265 R N 0.209 120.431 120.500 -0.463 0.000 2.091 265 R HA -0.176 4.056 4.340 -0.181 0.000 0.238 265 R C 1.479 177.697 176.300 -0.137 0.000 1.136 265 R CA 2.482 58.398 56.100 -0.306 0.000 0.959 265 R CB -0.509 29.631 30.300 -0.266 0.000 0.856 265 R HN 0.579 nan 8.270 nan 0.000 0.437 266 N N 0.212 118.842 118.700 -0.116 0.000 2.080 266 N HA -0.134 4.497 4.740 -0.181 0.000 0.189 266 N C 1.935 177.434 175.510 -0.018 0.000 1.036 266 N CA 1.093 54.111 53.050 -0.053 0.000 0.846 266 N CB -0.257 38.203 38.487 -0.045 0.000 1.015 266 N HN 0.296 nan 8.380 nan 0.000 0.423 267 A N 0.936 123.747 122.820 -0.014 0.000 1.917 267 A HA -0.214 3.998 4.320 -0.181 0.000 0.219 267 A C 2.370 180.051 177.584 0.161 0.000 1.182 267 A CA 1.791 53.879 52.037 0.085 0.000 0.633 267 A CB -0.877 18.222 19.000 0.165 0.000 0.819 267 A HN 0.218 nan 8.150 nan 0.000 0.448 268 S N -0.564 115.250 115.700 0.190 0.000 2.359 268 S HA -0.221 4.141 4.470 -0.181 0.000 0.223 268 S C 2.065 176.720 174.600 0.091 0.000 1.039 268 S CA 1.991 60.315 58.200 0.205 0.000 1.042 268 S CB -0.426 62.856 63.200 0.136 0.000 0.915 268 S HN 0.612 nan 8.310 nan 0.000 0.439 269 M N 0.802 120.428 119.600 0.045 0.000 2.159 269 M HA -0.094 4.278 4.480 -0.181 0.000 0.263 269 M C 2.459 178.775 176.300 0.026 0.000 1.063 269 M CA 1.417 56.732 55.300 0.025 0.000 1.110 269 M CB -0.611 31.994 32.600 0.009 0.000 1.374 269 M HN 0.387 nan 8.290 nan 0.000 0.411 270 A N 0.130 122.967 122.820 0.027 0.000 1.933 270 A HA -0.081 4.130 4.320 -0.181 0.000 0.218 270 A C 2.292 179.882 177.584 0.011 0.000 1.175 270 A CA 1.446 53.493 52.037 0.015 0.000 0.628 270 A CB -0.952 18.055 19.000 0.010 0.000 0.814 270 A HN 0.289 nan 8.150 nan 0.000 0.444 271 V N -0.311 119.622 119.914 0.031 0.000 2.255 271 V HA -0.280 3.732 4.120 -0.181 0.000 0.247 271 V C 2.520 178.630 176.094 0.027 0.000 1.051 271 V CA 2.157 64.470 62.300 0.021 0.000 1.018 271 V CB -0.793 31.067 31.823 0.061 0.000 0.641 271 V HN 0.517 nan 8.190 nan 0.000 0.445 272 L N -0.466 120.779 121.223 0.037 0.000 2.079 272 L HA -0.159 4.073 4.340 -0.181 0.000 0.210 272 L C 2.583 179.466 176.870 0.021 0.000 1.081 272 L CA 1.891 56.751 54.840 0.033 0.000 0.752 272 L CB -0.683 41.394 42.059 0.030 0.000 0.896 272 L HN 0.239 nan 8.230 nan 0.000 0.433 273 R N -1.012 119.496 120.500 0.014 0.000 2.092 273 R HA -0.168 4.063 4.340 -0.181 0.000 0.231 273 R C 2.170 178.469 176.300 -0.001 0.000 1.119 273 R CA 1.188 57.293 56.100 0.008 0.000 0.970 273 R CB -0.212 30.091 30.300 0.006 0.000 0.864 273 R HN 0.263 nan 8.270 nan 0.000 0.440 274 E N 1.045 121.237 120.200 -0.012 0.000 2.072 274 E HA -0.113 4.129 4.350 -0.181 0.000 0.190 274 E C 1.684 178.271 176.600 -0.022 0.000 0.982 274 E CA 0.956 57.339 56.400 -0.029 0.000 0.803 274 E CB -0.017 29.647 29.700 -0.061 0.000 0.755 274 E HN 0.035 nan 8.360 nan 0.000 0.453 275 I N 0.387 120.954 120.570 -0.006 0.000 2.286 275 I HA -0.020 4.042 4.170 -0.181 0.000 0.248 275 I C 1.820 177.949 176.117 0.020 0.000 1.115 275 I CA 1.767 63.080 61.300 0.022 0.000 1.392 275 I CB -1.164 36.875 38.000 0.065 0.000 1.065 275 I HN 0.447 nan 8.210 nan 0.000 0.418 276 G N -0.158 108.652 108.800 0.016 0.000 2.138 276 G HA2 -0.177 3.675 3.960 -0.181 0.000 0.193 276 G HA3 -0.177 3.675 3.960 -0.181 0.000 0.193 276 G C 0.260 175.172 174.900 0.020 0.000 0.998 276 G CA 0.046 45.156 45.100 0.016 0.000 0.668 276 G HN 0.143 nan 8.290 nan 0.000 0.516 277 V N 1.088 121.016 119.914 0.024 0.000 2.326 277 V HA 0.268 4.280 4.120 -0.181 0.000 0.249 277 V C 1.301 177.411 176.094 0.026 0.000 1.114 277 V CA 0.752 63.068 62.300 0.026 0.000 1.028 277 V CB 0.919 32.759 31.823 0.028 0.000 1.170 277 V HN 0.512 nan 8.190 nan 0.000 0.494 278 E N 2.259 122.474 120.200 0.026 0.000 2.447 278 E HA 0.015 4.257 4.350 -0.181 0.000 0.195 278 E C 0.906 177.527 176.600 0.034 0.000 1.028 278 E CA 0.685 57.102 56.400 0.028 0.000 0.876 278 E CB 0.526 30.240 29.700 0.024 0.000 0.885 278 E HN 0.808 nan 8.360 nan 0.000 0.500 279 T N -2.026 112.549 114.554 0.035 0.000 3.732 279 T HA 0.607 4.849 4.350 -0.181 0.000 0.234 279 T C -0.037 174.692 174.700 0.048 0.000 1.146 279 T CA -0.276 61.851 62.100 0.044 0.000 1.454 279 T CB 0.870 69.761 68.868 0.037 0.000 0.910 279 T HN 0.122 nan 8.240 nan 0.000 0.640 280 G N -0.390 108.440 108.800 0.051 0.000 2.317 280 G HA2 0.576 4.428 3.960 -0.181 0.000 0.293 280 G HA3 0.576 4.428 3.960 -0.181 0.000 0.293 280 G C -0.440 174.490 174.900 0.051 0.000 1.287 280 G CA -0.221 44.912 45.100 0.055 0.000 0.850 280 G HN 0.640 nan 8.290 nan 0.000 0.515 281 G N -1.127 107.705 108.800 0.054 0.000 2.502 281 G HA2 0.675 4.527 3.960 -0.181 0.000 0.305 281 G HA3 0.675 4.527 3.960 -0.181 0.000 0.305 281 G C -0.445 174.477 174.900 0.038 0.000 1.190 281 G CA 0.273 45.399 45.100 0.043 0.000 0.933 281 G HN 1.280 nan 8.290 nan 0.000 0.503 282 S N -0.747 114.970 115.700 0.028 0.000 2.543 282 S HA 0.310 4.672 4.470 -0.181 0.000 0.274 282 S C -1.036 173.574 174.600 0.016 0.000 1.149 282 S CA -0.863 57.350 58.200 0.022 0.000 0.866 282 S CB 1.799 65.009 63.200 0.017 0.000 1.111 282 S HN 0.766 nan 8.310 nan 0.000 0.457 283 N N 1.867 120.572 118.700 0.008 0.000 2.421 283 N HA 0.524 5.156 4.740 -0.181 0.000 0.285 283 N C -1.375 174.113 175.510 -0.036 0.000 1.027 283 N CA -0.178 52.873 53.050 0.001 0.000 0.918 283 N CB 1.180 39.672 38.487 0.009 0.000 1.152 283 N HN 0.359 nan 8.380 nan 0.000 0.485 284 V N 3.142 123.035 119.914 -0.035 0.000 2.495 284 V HA 0.360 4.372 4.120 -0.181 0.000 0.298 284 V C -0.214 175.743 176.094 -0.228 0.000 1.031 284 V CA -0.777 61.440 62.300 -0.138 0.000 0.871 284 V CB 1.671 33.443 31.823 -0.085 0.000 0.988 284 V HN 0.636 nan 8.190 nan 0.000 0.432 285 Q N 3.011 122.571 119.800 -0.401 0.000 2.309 285 Q HA 0.761 4.992 4.340 -0.181 0.000 0.264 285 Q C -1.646 174.015 176.000 -0.564 0.000 1.008 285 Q CA -0.335 55.282 55.803 -0.309 0.000 0.853 285 Q CB 2.580 31.210 28.738 -0.180 0.000 1.314 285 Q HN 0.664 nan 8.270 nan 0.000 0.448 286 F N -0.048 119.958 119.950 0.095 0.000 2.629 286 F HA 0.749 5.168 4.527 -0.181 0.000 0.316 286 F C -0.508 175.408 175.800 0.193 0.000 1.081 286 F CA -1.088 56.992 58.000 0.133 0.000 0.954 286 F CB 1.731 40.814 39.000 0.138 0.000 1.337 286 F HN 0.503 nan 8.300 nan 0.000 0.474 287 A N 1.184 124.276 122.820 0.454 0.000 2.343 287 A HA 0.833 5.045 4.320 -0.181 0.000 0.316 287 A C -1.662 176.266 177.584 0.573 0.000 1.104 287 A CA -0.698 51.612 52.037 0.454 0.000 0.768 287 A CB 1.301 20.501 19.000 0.334 0.000 1.213 287 A HN 0.529 nan 8.150 nan 0.000 0.456 288 V N 3.095 123.332 119.914 0.538 0.000 2.487 288 V HA 0.278 4.290 4.120 -0.181 0.000 0.298 288 V C -0.235 175.864 176.094 0.008 0.000 1.028 288 V CA -0.940 61.543 62.300 0.304 0.000 0.860 288 V CB 1.812 33.806 31.823 0.285 0.000 0.991 288 V HN 0.916 nan 8.190 nan 0.000 0.427 289 N N 7.577 125.945 118.700 -0.554 0.000 2.405 289 N HA 0.208 4.840 4.740 -0.181 0.000 0.260 289 N C -1.396 173.822 175.510 -0.487 0.000 1.152 289 N CA -1.876 50.461 53.050 -1.189 0.000 0.948 289 N CB 1.745 39.303 38.487 -1.549 0.000 1.111 289 N HN 0.277 nan 8.380 nan 0.000 0.485 290 P HA -0.152 nan 4.420 nan 0.000 0.218 290 P C 0.692 177.914 177.300 -0.130 0.000 1.148 290 P CA 1.491 64.519 63.100 -0.120 0.000 0.822 290 P CB 0.421 32.117 31.700 -0.006 0.000 0.784 291 K N -0.375 119.920 120.400 -0.174 0.000 2.097 291 K HA -0.093 4.118 4.320 -0.181 0.000 0.205 291 K C 1.098 177.625 176.600 -0.122 0.000 1.050 291 K CA 1.645 57.857 56.287 -0.125 0.000 0.938 291 K CB -0.249 32.186 32.500 -0.108 0.000 0.718 291 K HN 0.293 nan 8.250 nan 0.000 0.442 292 N N -2.293 116.309 118.700 -0.164 0.000 2.167 292 N HA 0.107 4.739 4.740 -0.181 0.000 0.234 292 N C 0.569 176.011 175.510 -0.114 0.000 1.312 292 N CA 0.343 53.321 53.050 -0.119 0.000 0.861 292 N CB 0.920 39.349 38.487 -0.098 0.000 1.217 292 N HN 0.097 nan 8.380 nan 0.000 0.504 293 G N 0.804 109.523 108.800 -0.135 0.000 2.189 293 G HA2 -0.404 3.447 3.960 -0.181 0.000 0.267 293 G HA3 -0.404 3.447 3.960 -0.181 0.000 0.267 293 G C 0.058 174.904 174.900 -0.089 0.000 0.975 293 G CA 0.308 45.346 45.100 -0.104 0.000 0.644 293 G HN 0.631 nan 8.290 nan 0.000 0.537 294 R N -0.210 120.222 120.500 -0.113 0.000 2.538 294 R HA 0.326 4.558 4.340 -0.181 0.000 0.282 294 R C -0.244 176.100 176.300 0.075 0.000 1.009 294 R CA -0.181 55.904 56.100 -0.024 0.000 1.063 294 R CB 0.072 30.361 30.300 -0.018 0.000 0.945 294 R HN 0.279 nan 8.270 nan 0.000 0.414 295 L N 6.641 127.935 121.223 0.118 0.000 2.287 295 L HA 0.470 4.702 4.340 -0.181 0.000 0.287 295 L C -0.875 176.150 176.870 0.258 0.000 1.022 295 L CA -0.164 54.778 54.840 0.170 0.000 0.814 295 L CB 1.363 43.445 42.059 0.039 0.000 1.217 295 L HN 0.567 nan 8.230 nan 0.000 0.420 296 I N 5.022 125.804 120.570 0.353 0.000 2.509 296 I HA 0.400 4.461 4.170 -0.181 0.000 0.293 296 I C -0.716 175.593 176.117 0.321 0.000 1.020 296 I CA -1.071 60.403 61.300 0.289 0.000 1.088 296 I CB 2.222 40.348 38.000 0.210 0.000 1.267 296 I HN 0.200 nan 8.210 nan 0.000 0.430 297 V N 6.268 126.305 119.914 0.205 0.000 2.461 297 V HA 0.197 4.209 4.120 -0.181 0.000 0.275 297 V C 1.004 177.116 176.094 0.030 0.000 1.047 297 V CA -0.343 61.984 62.300 0.044 0.000 0.955 297 V CB 1.149 33.004 31.823 0.052 0.000 0.988 297 V HN 0.568 nan 8.190 nan 0.000 0.471 298 I N 2.943 123.455 120.570 -0.097 0.000 2.364 298 I HA 0.187 4.249 4.170 -0.181 0.000 0.241 298 I C 1.020 177.040 176.117 -0.163 0.000 1.082 298 I CA 1.071 62.318 61.300 -0.089 0.000 1.401 298 I CB -0.353 37.583 38.000 -0.106 0.000 1.126 298 I HN 1.001 nan 8.210 nan 0.000 0.429 299 E N 0.849 120.859 120.200 -0.316 0.000 2.402 299 E HA 0.509 4.751 4.350 -0.181 0.000 0.270 299 E C -0.951 175.327 176.600 -0.537 0.000 1.131 299 E CA -0.918 55.063 56.400 -0.697 0.000 0.884 299 E CB 1.679 31.054 29.700 -0.541 0.000 1.564 299 E HN 0.061 nan 8.360 nan 0.000 0.456 300 M N 0.624 119.840 119.600 -0.640 0.000 2.322 300 M HA 0.564 4.936 4.480 -0.181 0.000 0.286 300 M C -2.150 174.004 176.300 -0.242 0.000 1.111 300 M CA -0.499 54.633 55.300 -0.280 0.000 0.941 300 M CB 2.326 34.906 32.600 -0.034 0.000 1.671 300 M HN 0.370 nan 8.290 nan 0.000 0.470 301 N N 4.480 123.098 118.700 -0.137 0.000 2.444 301 N HA 0.400 5.032 4.740 -0.181 0.000 0.262 301 N C -2.556 172.929 175.510 -0.041 0.000 0.974 301 N CA -1.268 51.725 53.050 -0.095 0.000 0.933 301 N CB 1.699 40.153 38.487 -0.055 0.000 1.137 301 N HN 0.551 nan 8.380 nan 0.000 0.498 302 P HA 0.086 nan 4.420 nan 0.000 0.237 302 P C -0.502 176.803 177.300 0.009 0.000 1.723 302 P CA 0.260 63.354 63.100 -0.010 0.000 0.882 302 P CB -0.107 31.583 31.700 -0.016 0.000 1.810 303 R N -2.344 118.172 120.500 0.027 0.000 2.921 303 R HA 0.520 4.751 4.340 -0.181 0.000 0.268 303 R C -0.564 175.794 176.300 0.097 0.000 1.008 303 R CA -1.094 55.038 56.100 0.054 0.000 0.876 303 R CB -0.043 30.282 30.300 0.041 0.000 1.395 303 R HN -0.168 nan 8.270 nan 0.000 0.443 304 V N -0.368 119.633 119.914 0.146 0.000 3.133 304 V HA 0.751 4.763 4.120 -0.181 0.000 0.305 304 V C 0.091 176.363 176.094 0.296 0.000 1.084 304 V CA 0.323 62.740 62.300 0.196 0.000 1.089 304 V CB 1.148 33.091 31.823 0.200 0.000 1.073 304 V HN 1.022 nan 8.190 nan 0.000 0.477 305 S N 1.912 117.743 115.700 0.219 0.000 2.752 305 S HA 0.475 4.837 4.470 -0.181 0.000 0.284 305 S C 0.628 175.223 174.600 -0.008 0.000 1.189 305 S CA -0.484 57.835 58.200 0.197 0.000 0.835 305 S CB 1.565 64.850 63.200 0.142 0.000 1.192 305 S HN 1.117 nan 8.310 nan 0.000 0.506 306 R N 0.200 120.678 120.500 -0.037 0.000 2.148 306 R HA 0.135 4.366 4.340 -0.181 0.000 0.223 306 R C 1.562 177.848 176.300 -0.023 0.000 1.088 306 R CA 1.571 57.611 56.100 -0.102 0.000 0.985 306 R CB -0.777 29.474 30.300 -0.082 0.000 0.880 306 R HN 0.419 nan 8.270 nan 0.000 0.451 307 S N 1.109 116.821 115.700 0.021 0.000 2.387 307 S HA -0.099 4.263 4.470 -0.181 0.000 0.226 307 S C 1.956 176.584 174.600 0.046 0.000 1.026 307 S CA 1.319 59.540 58.200 0.034 0.000 0.972 307 S CB -0.024 63.200 63.200 0.040 0.000 0.814 307 S HN 0.661 nan 8.310 nan 0.000 0.477 308 S N 1.439 117.176 115.700 0.062 0.000 2.453 308 S HA 0.143 4.504 4.470 -0.181 0.000 0.231 308 S C 1.853 176.528 174.600 0.125 0.000 1.005 308 S CA 0.804 59.057 58.200 0.088 0.000 0.949 308 S CB -0.255 63.005 63.200 0.101 0.000 0.774 308 S HN 0.451 nan 8.310 nan 0.000 0.510 309 A N 1.863 124.738 122.820 0.092 0.000 1.874 309 A HA 0.222 4.434 4.320 -0.181 0.000 0.214 309 A C 2.164 179.756 177.584 0.013 0.000 1.189 309 A CA 1.215 53.309 52.037 0.094 0.000 0.615 309 A CB -0.911 18.080 19.000 -0.015 0.000 0.830 309 A HN 0.552 nan 8.150 nan 0.000 0.443 310 L N 0.184 121.410 121.223 0.004 0.000 1.989 310 L HA -0.115 4.117 4.340 -0.181 0.000 0.211 310 L C 2.621 179.512 176.870 0.035 0.000 1.071 310 L CA 2.508 57.351 54.840 0.006 0.000 0.749 310 L CB -0.907 41.158 42.059 0.011 0.000 0.890 310 L HN 0.340 nan 8.230 nan 0.000 0.431 311 A N -0.999 121.856 122.820 0.059 0.000 1.892 311 A HA -0.252 3.959 4.320 -0.181 0.000 0.218 311 A C 2.353 180.015 177.584 0.129 0.000 1.188 311 A CA 2.382 54.464 52.037 0.075 0.000 0.631 311 A CB -1.186 17.848 19.000 0.057 0.000 0.822 311 A HN 0.622 nan 8.150 nan 0.000 0.447 312 S N -0.209 115.600 115.700 0.181 0.000 2.382 312 S HA -0.139 4.223 4.470 -0.181 0.000 0.228 312 S C 1.986 176.763 174.600 0.294 0.000 1.027 312 S CA 1.566 59.941 58.200 0.293 0.000 0.991 312 S CB -0.205 63.230 63.200 0.390 0.000 0.823 312 S HN 0.465 nan 8.310 nan 0.000 0.469 313 K N 2.142 122.647 120.400 0.175 0.000 2.025 313 K HA 0.216 4.428 4.320 -0.181 0.000 0.207 313 K C 2.349 179.022 176.600 0.121 0.000 1.049 313 K CA 1.308 57.690 56.287 0.159 0.000 0.933 313 K CB -1.252 31.248 32.500 0.000 0.000 0.714 313 K HN 0.309 nan 8.250 nan 0.000 0.438 314 A N 0.638 123.484 122.820 0.043 0.000 1.892 314 A HA -0.208 4.004 4.320 -0.181 0.000 0.218 314 A C 2.280 179.951 177.584 0.145 0.000 1.188 314 A CA 3.025 55.087 52.037 0.041 0.000 0.631 314 A CB -1.096 17.939 19.000 0.059 0.000 0.822 314 A HN 0.529 nan 8.150 nan 0.000 0.447 315 T N -5.410 109.250 114.554 0.177 0.000 3.044 315 T HA 0.414 4.655 4.350 -0.181 0.000 0.255 315 T C 1.525 176.395 174.700 0.283 0.000 1.073 315 T CA 1.173 63.399 62.100 0.210 0.000 1.125 315 T CB 0.224 69.199 68.868 0.179 0.000 0.908 315 T HN 1.812 nan 8.240 nan 0.000 0.480 316 G N 0.978 110.000 108.800 0.371 0.000 2.176 316 G HA2 -0.193 3.658 3.960 -0.181 0.000 0.232 316 G HA3 -0.193 3.658 3.960 -0.181 0.000 0.232 316 G C -0.201 174.988 174.900 0.482 0.000 0.986 316 G CA -0.083 45.291 45.100 0.457 0.000 0.643 316 G HN 0.611 nan 8.290 nan 0.000 0.522 317 F N 3.868 123.986 119.950 0.280 0.000 2.375 317 F HA 0.577 4.995 4.527 -0.181 0.000 0.362 317 F C -1.816 174.130 175.800 0.242 0.000 1.129 317 F CA -3.202 54.938 58.000 0.233 0.000 1.154 317 F CB 1.387 40.450 39.000 0.105 0.000 1.205 317 F HN -0.072 nan 8.300 nan 0.000 0.513 318 P HA 0.062 nan 4.420 nan 0.000 0.252 318 P C 1.179 178.639 177.300 0.266 0.000 1.694 318 P CA 0.492 63.743 63.100 0.251 0.000 1.163 318 P CB -0.221 31.548 31.700 0.114 0.000 1.934 319 I N 1.738 122.558 120.570 0.418 0.000 2.118 319 I HA -0.342 3.719 4.170 -0.181 0.000 0.241 319 I C 2.404 178.635 176.117 0.189 0.000 1.070 319 I CA 1.992 63.510 61.300 0.363 0.000 1.327 319 I CB -0.796 37.357 38.000 0.255 0.000 1.034 319 I HN 0.184 nan 8.210 nan 0.000 0.405 320 A N 0.404 123.279 122.820 0.091 0.000 1.908 320 A HA -0.265 3.946 4.320 -0.181 0.000 0.218 320 A C 2.336 179.916 177.584 -0.007 0.000 1.181 320 A CA 1.984 54.029 52.037 0.014 0.000 0.627 320 A CB -0.552 18.402 19.000 -0.076 0.000 0.818 320 A HN 0.312 nan 8.150 nan 0.000 0.445 321 K N -0.621 119.758 120.400 -0.036 0.000 2.009 321 K HA -0.109 4.103 4.320 -0.181 0.000 0.210 321 K C 1.895 178.490 176.600 -0.008 0.000 1.049 321 K CA 1.673 57.935 56.287 -0.040 0.000 0.929 321 K CB -0.358 32.109 32.500 -0.055 0.000 0.714 321 K HN 0.271 nan 8.250 nan 0.000 0.440 322 V N 0.929 120.859 119.914 0.025 0.000 2.261 322 V HA -0.286 3.726 4.120 -0.181 0.000 0.246 322 V C 2.271 178.412 176.094 0.077 0.000 1.047 322 V CA 2.098 64.427 62.300 0.048 0.000 1.015 322 V CB -0.785 31.114 31.823 0.128 0.000 0.642 322 V HN 0.449 nan 8.190 nan 0.000 0.446 323 A N -0.083 122.796 122.820 0.099 0.000 1.978 323 A HA -0.170 4.042 4.320 -0.181 0.000 0.220 323 A C 2.416 180.034 177.584 0.056 0.000 1.170 323 A CA 2.251 54.339 52.037 0.085 0.000 0.636 323 A CB -0.771 18.279 19.000 0.084 0.000 0.810 323 A HN 0.602 nan 8.150 nan 0.000 0.448 324 A N 0.054 122.895 122.820 0.034 0.000 1.858 324 A HA -0.188 4.024 4.320 -0.181 0.000 0.216 324 A C 2.099 179.700 177.584 0.028 0.000 1.190 324 A CA 1.770 53.815 52.037 0.012 0.000 0.617 324 A CB -0.500 18.497 19.000 -0.005 0.000 0.827 324 A HN 0.512 nan 8.150 nan 0.000 0.443 325 K N -0.911 119.518 120.400 0.049 0.000 2.152 325 K HA -0.141 4.071 4.320 -0.181 0.000 0.206 325 K C 1.710 178.450 176.600 0.234 0.000 1.048 325 K CA 1.219 57.583 56.287 0.128 0.000 0.933 325 K CB -0.381 32.082 32.500 -0.062 0.000 0.721 325 K HN 0.315 nan 8.250 nan 0.000 0.447 326 L N 0.665 121.975 121.223 0.144 0.000 2.156 326 L HA -0.043 4.189 4.340 -0.181 0.000 0.208 326 L C 2.334 179.258 176.870 0.090 0.000 1.095 326 L CA 1.332 56.257 54.840 0.141 0.000 0.770 326 L CB -0.888 41.237 42.059 0.110 0.000 0.914 326 L HN 0.100 nan 8.230 nan 0.000 0.439 327 A N -0.594 122.258 122.820 0.052 0.000 2.019 327 A HA -0.129 4.082 4.320 -0.181 0.000 0.219 327 A C 1.922 179.492 177.584 -0.023 0.000 1.164 327 A CA 1.708 53.750 52.037 0.008 0.000 0.644 327 A CB -0.793 18.197 19.000 -0.016 0.000 0.805 327 A HN 0.327 nan 8.150 nan 0.000 0.449 328 V N -4.307 115.595 119.914 -0.020 0.000 3.577 328 V HA 0.575 4.587 4.120 -0.181 0.000 0.294 328 V C 1.185 177.262 176.094 -0.028 0.000 1.317 328 V CA 0.699 62.956 62.300 -0.072 0.000 1.169 328 V CB -0.716 30.936 31.823 -0.285 0.000 1.011 328 V HN 1.326 nan 8.190 nan 0.000 0.426 329 G N -1.081 107.720 108.800 0.003 0.000 2.211 329 G HA2 -0.241 3.611 3.960 -0.181 0.000 0.201 329 G HA3 -0.241 3.611 3.960 -0.181 0.000 0.201 329 G C -0.157 174.707 174.900 -0.061 0.000 0.997 329 G CA -0.021 45.051 45.100 -0.046 0.000 0.652 329 G HN 0.547 nan 8.290 nan 0.000 0.500 330 Y N 1.983 122.312 120.300 0.048 0.000 2.314 330 Y HA 0.487 4.929 4.550 -0.181 0.000 0.334 330 Y C 1.451 177.380 175.900 0.050 0.000 1.266 330 Y CA 0.833 58.964 58.100 0.053 0.000 1.391 330 Y CB 1.102 39.596 38.460 0.057 0.000 1.306 330 Y HN 0.247 nan 8.280 nan 0.000 0.558 331 T N -1.025 113.682 114.554 0.254 0.000 2.918 331 T HA 0.359 4.600 4.350 -0.181 0.000 0.286 331 T C 0.812 175.609 174.700 0.161 0.000 1.026 331 T CA -0.895 61.303 62.100 0.164 0.000 1.031 331 T CB 1.072 70.008 68.868 0.114 0.000 1.046 331 T HN 0.647 nan 8.240 nan 0.000 0.479 332 L N 1.029 122.334 121.223 0.137 0.000 2.043 332 L HA -0.136 4.096 4.340 -0.181 0.000 0.212 332 L C 2.646 179.592 176.870 0.126 0.000 1.075 332 L CA 1.936 56.861 54.840 0.142 0.000 0.752 332 L CB -0.641 41.513 42.059 0.158 0.000 0.891 332 L HN 0.840 nan 8.230 nan 0.000 0.432 333 D N -0.398 120.069 120.400 0.112 0.000 2.264 333 D HA -0.214 4.318 4.640 -0.181 0.000 0.208 333 D C 1.595 177.942 176.300 0.077 0.000 0.966 333 D CA 1.046 55.099 54.000 0.090 0.000 0.864 333 D CB -0.224 40.622 40.800 0.078 0.000 0.933 333 D HN 0.486 nan 8.370 nan 0.000 0.499 334 E N -0.076 120.186 120.200 0.103 0.000 2.230 334 E HA 0.109 4.351 4.350 -0.181 0.000 0.192 334 E C 0.633 177.266 176.600 0.055 0.000 0.987 334 E CA 0.063 56.533 56.400 0.116 0.000 0.841 334 E CB 0.289 30.131 29.700 0.236 0.000 0.783 334 E HN 0.330 nan 8.360 nan 0.000 0.481 335 L N 1.439 122.673 121.223 0.018 0.000 2.399 335 L HA 0.341 4.573 4.340 -0.181 0.000 0.266 335 L C 0.226 177.069 176.870 -0.045 0.000 1.114 335 L CA -0.582 54.220 54.840 -0.064 0.000 0.804 335 L CB 0.675 42.679 42.059 -0.091 0.000 1.146 335 L HN -0.036 nan 8.230 nan 0.000 0.451 336 M N 0.681 120.236 119.600 -0.076 0.000 2.472 336 M HA 0.394 4.765 4.480 -0.181 0.000 0.331 336 M C -0.614 175.627 176.300 -0.099 0.000 1.170 336 M CA -0.687 54.565 55.300 -0.080 0.000 1.009 336 M CB 1.271 33.824 32.600 -0.078 0.000 1.672 336 M HN 0.340 nan 8.290 nan 0.000 0.453 337 N N 1.877 120.506 118.700 -0.117 0.000 2.405 337 N HA 0.044 4.676 4.740 -0.181 0.000 0.260 337 N C 0.047 175.493 175.510 -0.107 0.000 1.152 337 N CA 0.219 53.196 53.050 -0.121 0.000 0.948 337 N CB 0.549 38.945 38.487 -0.151 0.000 1.111 337 N HN 0.569 nan 8.380 nan 0.000 0.485 338 D N 2.630 122.984 120.400 -0.077 0.000 2.137 338 D HA -0.252 4.280 4.640 -0.181 0.000 0.189 338 D C 1.642 177.874 176.300 -0.112 0.000 0.998 338 D CA 1.712 55.687 54.000 -0.042 0.000 0.839 338 D CB -0.368 40.493 40.800 0.101 0.000 0.962 338 D HN 0.816 nan 8.370 nan 0.000 0.446 339 I N -0.463 119.996 120.570 -0.184 0.000 3.241 339 I HA -0.040 4.022 4.170 -0.181 0.000 0.280 339 I C 0.605 176.665 176.117 -0.095 0.000 1.320 339 I CA 1.058 62.238 61.300 -0.201 0.000 1.413 339 I CB -0.414 37.393 38.000 -0.322 0.000 1.060 339 I HN -0.099 nan 8.210 nan 0.000 0.500 340 T N -2.605 111.892 114.554 -0.095 0.000 3.293 340 T HA 0.512 4.753 4.350 -0.181 0.000 0.276 340 T C 1.193 175.842 174.700 -0.085 0.000 1.003 340 T CA -0.028 62.022 62.100 -0.082 0.000 0.916 340 T CB 0.071 68.839 68.868 -0.166 0.000 1.134 340 T HN 0.592 nan 8.240 nan 0.000 0.530 341 G N 0.891 109.650 108.800 -0.069 0.000 2.258 341 G HA2 0.020 3.872 3.960 -0.181 0.000 0.274 341 G HA3 0.020 3.872 3.960 -0.181 0.000 0.274 341 G C 1.219 176.080 174.900 -0.065 0.000 1.021 341 G CA 0.360 45.428 45.100 -0.053 0.000 0.798 341 G HN 1.876 nan 8.290 nan 0.000 0.507 342 G N -1.348 107.398 108.800 -0.089 0.000 2.175 342 G HA2 -0.364 3.487 3.960 -0.181 0.000 0.265 342 G HA3 -0.364 3.487 3.960 -0.181 0.000 0.265 342 G C 1.224 176.057 174.900 -0.112 0.000 0.979 342 G CA 1.247 46.291 45.100 -0.093 0.000 0.663 342 G HN 0.950 nan 8.290 nan 0.000 0.533 343 R N 0.726 121.148 120.500 -0.130 0.000 2.081 343 R HA 0.102 4.334 4.340 -0.181 0.000 0.235 343 R C 2.121 178.289 176.300 -0.221 0.000 1.131 343 R CA 1.890 57.905 56.100 -0.142 0.000 0.960 343 R CB -0.506 29.723 30.300 -0.119 0.000 0.856 343 R HN 0.727 nan 8.270 nan 0.000 0.436 344 T N -1.646 112.704 114.554 -0.341 0.000 2.952 344 T HA 0.569 4.811 4.350 -0.181 0.000 0.286 344 T C -2.626 171.891 174.700 -0.305 0.000 1.024 344 T CA -2.389 59.446 62.100 -0.442 0.000 1.029 344 T CB 2.271 70.637 68.868 -0.837 0.000 1.094 344 T HN -0.165 nan 8.240 nan 0.000 0.515 345 P HA 0.379 nan 4.420 nan 0.000 0.276 345 P C 0.341 177.669 177.300 0.047 0.000 1.261 345 P CA -0.633 62.425 63.100 -0.070 0.000 0.800 345 P CB 0.459 32.162 31.700 0.004 0.000 1.066 346 A N 0.420 123.325 122.820 0.142 0.000 2.123 346 A HA 0.016 4.228 4.320 -0.181 0.000 0.214 346 A C 1.063 178.951 177.584 0.506 0.000 1.152 346 A CA 0.656 52.866 52.037 0.288 0.000 0.728 346 A CB -1.189 17.872 19.000 0.102 0.000 0.814 346 A HN 0.576 nan 8.150 nan 0.000 0.464 347 S N 0.677 116.589 115.700 0.353 0.000 3.072 347 S HA 0.528 4.890 4.470 -0.181 0.000 0.306 347 S C -0.358 174.492 174.600 0.418 0.000 1.207 347 S CA -0.385 57.996 58.200 0.301 0.000 1.008 347 S CB -1.299 62.010 63.200 0.181 0.000 1.390 347 S HN 0.931 nan 8.310 nan 0.000 0.523 348 F N -1.455 118.584 119.950 0.149 0.000 2.842 348 F HA 0.595 5.014 4.527 -0.180 0.000 0.319 348 F C -1.673 174.194 175.800 0.112 0.000 1.159 348 F CA -1.217 56.853 58.000 0.116 0.000 0.902 348 F CB 0.773 39.834 39.000 0.101 0.000 1.311 348 F HN 0.220 nan 8.300 nan 0.000 0.453 349 E N 2.778 122.899 120.200 -0.133 0.000 2.129 349 E HA 0.399 4.641 4.350 -0.181 0.000 0.268 349 E C -2.623 173.872 176.600 -0.174 0.000 0.900 349 E CA -2.012 54.225 56.400 -0.271 0.000 0.755 349 E CB 1.669 31.326 29.700 -0.071 0.000 1.117 349 E HN 0.291 nan 8.360 nan 0.000 0.410 350 P HA 0.008 nan 4.420 nan 0.000 0.270 350 P C -0.695 176.645 177.300 0.066 0.000 1.223 350 P CA -0.269 62.853 63.100 0.037 0.000 0.785 350 P CB 0.814 32.529 31.700 0.026 0.000 0.923 351 S N 0.994 116.764 115.700 0.117 0.000 2.571 351 S HA 0.708 5.070 4.470 -0.181 0.000 0.284 351 S C -0.665 173.904 174.600 -0.051 0.000 1.128 351 S CA -0.825 57.384 58.200 0.015 0.000 0.970 351 S CB 0.047 63.269 63.200 0.038 0.000 1.039 351 S HN 0.376 nan 8.310 nan 0.000 0.485 352 I N 1.540 121.996 120.570 -0.190 0.000 2.603 352 I HA 0.693 4.755 4.170 -0.181 0.000 0.300 352 I C -0.802 175.046 176.117 -0.449 0.000 1.017 352 I CA -0.931 60.095 61.300 -0.457 0.000 1.098 352 I CB 2.185 39.698 38.000 -0.812 0.000 1.279 352 I HN 0.550 nan 8.210 nan 0.000 0.437 353 D N 4.370 124.471 120.400 -0.499 0.000 2.895 353 D HA 0.278 4.809 4.640 -0.181 0.000 0.258 353 D C -0.562 175.702 176.300 -0.060 0.000 1.311 353 D CA -0.137 53.753 54.000 -0.183 0.000 0.843 353 D CB -0.331 40.476 40.800 0.013 0.000 1.055 353 D HN 0.731 nan 8.370 nan 0.000 0.486 354 Y N -3.532 116.769 120.300 0.003 0.000 2.871 354 Y HA 0.673 5.115 4.550 -0.180 0.000 0.331 354 Y C -1.632 174.244 175.900 -0.040 0.000 1.378 354 Y CA -1.724 56.352 58.100 -0.039 0.000 1.079 354 Y CB 0.789 39.122 38.460 -0.212 0.000 1.441 354 Y HN -0.222 nan 8.280 nan 0.000 0.446 355 V N 1.909 121.970 119.914 0.246 0.000 2.531 355 V HA 0.585 4.597 4.120 -0.181 0.000 0.301 355 V C -0.821 175.370 176.094 0.161 0.000 1.034 355 V CA -0.864 61.545 62.300 0.183 0.000 0.865 355 V CB 1.532 33.469 31.823 0.189 0.000 0.995 355 V HN 0.656 nan 8.190 nan 0.000 0.424 356 V N 3.802 123.800 119.914 0.141 0.000 2.394 356 V HA 0.574 4.585 4.120 -0.181 0.000 0.282 356 V C 0.247 176.381 176.094 0.067 0.000 1.031 356 V CA -0.155 62.183 62.300 0.063 0.000 0.881 356 V CB 1.792 33.645 31.823 0.049 0.000 0.982 356 V HN 0.976 nan 8.190 nan 0.000 0.451 357 T N 5.012 119.587 114.554 0.036 0.000 2.863 357 T HA 0.499 4.741 4.350 -0.181 0.000 0.285 357 T C -0.560 174.145 174.700 0.008 0.000 1.009 357 T CA -0.743 61.376 62.100 0.032 0.000 0.989 357 T CB 1.780 70.659 68.868 0.018 0.000 1.004 357 T HN 0.664 nan 8.240 nan 0.000 0.455 358 K N 3.313 123.710 120.400 -0.004 0.000 2.397 358 K HA 0.621 4.833 4.320 -0.181 0.000 0.253 358 K C -1.437 175.137 176.600 -0.042 0.000 0.932 358 K CA -0.704 55.579 56.287 -0.007 0.000 0.795 358 K CB 1.161 33.663 32.500 0.005 0.000 1.159 358 K HN 0.595 nan 8.250 nan 0.000 0.424 359 I N 5.687 126.230 120.570 -0.045 0.000 2.465 359 I HA 0.361 4.423 4.170 -0.181 0.000 0.291 359 I C -2.247 173.835 176.117 -0.058 0.000 1.014 359 I CA -2.684 58.578 61.300 -0.064 0.000 1.093 359 I CB 2.135 40.084 38.000 -0.084 0.000 1.267 359 I HN 0.473 nan 8.210 nan 0.000 0.431 360 P HA 0.232 nan 4.420 nan 0.000 0.275 360 P C -0.995 176.090 177.300 -0.360 0.000 1.228 360 P CA -0.533 62.413 63.100 -0.257 0.000 0.786 360 P CB 0.997 32.486 31.700 -0.352 0.000 0.927 361 R N 2.033 122.253 120.500 -0.467 0.000 2.514 361 R HA 0.647 4.878 4.340 -0.181 0.000 0.301 361 R C -1.181 174.781 176.300 -0.564 0.000 0.962 361 R CA -0.411 55.509 56.100 -0.301 0.000 0.882 361 R CB 0.125 30.342 30.300 -0.138 0.000 1.143 361 R HN 0.295 nan 8.270 nan 0.000 0.452 362 F N 1.337 121.284 119.950 -0.006 0.000 2.639 362 F HA 0.472 4.883 4.527 -0.192 0.000 0.339 362 F C 0.655 176.382 175.800 -0.123 0.000 1.071 362 F CA -0.766 57.159 58.000 -0.125 0.000 0.994 362 F CB 1.986 40.885 39.000 -0.168 0.000 1.341 362 F HN 0.558 nan 8.300 nan 0.000 0.498 363 N N -0.356 118.332 118.700 -0.019 0.000 2.547 363 N HA 0.198 4.829 4.740 -0.181 0.000 0.285 363 N C 0.325 175.864 175.510 0.048 0.000 1.600 363 N CA 0.007 53.075 53.050 0.030 0.000 0.872 363 N CB 0.216 38.761 38.487 0.097 0.000 1.412 363 N HN 0.356 nan 8.380 nan 0.000 0.489 364 F N 1.904 121.955 119.950 0.168 0.000 2.192 364 F HA -0.214 4.192 4.527 -0.202 0.000 0.301 364 F C 2.735 178.538 175.800 0.004 0.000 1.079 364 F CA 1.060 59.108 58.000 0.079 0.000 1.303 364 F CB -0.081 38.935 39.000 0.028 0.000 1.024 364 F HN 0.320 nan 8.300 nan 0.000 0.494 365 E N 1.209 121.496 120.200 0.145 0.000 2.265 365 E HA -0.223 4.019 4.350 -0.181 0.000 0.196 365 E C 1.340 177.866 176.600 -0.123 0.000 0.996 365 E CA 1.251 57.659 56.400 0.015 0.000 0.832 365 E CB -0.661 29.036 29.700 -0.006 0.000 0.756 365 E HN 0.415 nan 8.360 nan 0.000 0.491 366 K N -0.203 120.022 120.400 -0.293 0.000 2.426 366 K HA 0.100 4.311 4.320 -0.181 0.000 0.193 366 K C -0.159 175.776 176.600 -1.108 0.000 1.028 366 K CA 0.163 56.036 56.287 -0.691 0.000 1.047 366 K CB 0.181 32.132 32.500 -0.915 0.000 0.821 366 K HN 0.085 nan 8.250 nan 0.000 0.513 367 F N -0.048 119.849 119.950 -0.089 0.000 2.542 367 F HA 0.334 4.853 4.527 -0.012 0.000 0.323 367 F C 1.160 176.938 175.800 -0.037 0.000 1.411 367 F CA -0.831 57.105 58.000 -0.106 0.000 1.124 367 F CB 0.333 39.083 39.000 -0.418 0.000 1.331 367 F HN -0.145 nan 8.300 nan 0.000 0.560 368 A N 1.070 123.912 122.820 0.037 0.000 1.909 368 A HA -0.243 3.969 4.320 -0.181 0.000 0.221 368 A C 2.514 180.129 177.584 0.052 0.000 1.223 368 A CA 2.489 54.544 52.037 0.030 0.000 0.658 368 A CB -1.218 17.782 19.000 0.001 0.000 0.831 368 A HN 0.677 nan 8.150 nan 0.000 0.462 369 G N -0.960 107.888 108.800 0.079 0.000 2.509 369 G HA2 0.292 4.144 3.960 -0.181 0.000 0.218 369 G HA3 0.292 4.144 3.960 -0.181 0.000 0.218 369 G C 0.786 175.742 174.900 0.093 0.000 1.124 369 G CA 0.883 46.028 45.100 0.074 0.000 0.776 369 G HN 0.974 nan 8.290 nan 0.000 0.547 370 A N 0.347 123.249 122.820 0.137 0.000 2.425 370 A HA 0.343 4.555 4.320 -0.181 0.000 0.242 370 A C 0.545 178.168 177.584 0.065 0.000 1.077 370 A CA -0.418 51.715 52.037 0.159 0.000 0.781 370 A CB 0.191 19.303 19.000 0.186 0.000 1.020 370 A HN 0.245 nan 8.150 nan 0.000 0.494 371 N N 1.158 119.913 118.700 0.090 0.000 2.399 371 N HA 0.030 4.662 4.740 -0.181 0.000 0.259 371 N C -0.338 175.095 175.510 -0.128 0.000 1.160 371 N CA 0.014 53.060 53.050 -0.007 0.000 0.946 371 N CB 0.784 39.302 38.487 0.051 0.000 1.156 371 N HN 0.579 nan 8.380 nan 0.000 0.489 372 D N 2.101 122.226 120.400 -0.459 0.000 2.325 372 D HA 0.041 4.572 4.640 -0.181 0.000 0.225 372 D C 0.018 175.870 176.300 -0.748 0.000 1.096 372 D CA 0.010 53.274 54.000 -1.226 0.000 0.844 372 D CB 0.175 40.220 40.800 -1.259 0.000 0.925 372 D HN 0.184 nan 8.370 nan 0.000 0.513 373 R N 0.537 120.846 120.500 -0.318 0.000 2.500 373 R HA 0.428 4.660 4.340 -0.181 0.000 0.275 373 R C 0.260 176.539 176.300 -0.035 0.000 1.051 373 R CA -0.699 55.302 56.100 -0.165 0.000 1.088 373 R CB 1.048 31.296 30.300 -0.087 0.000 1.063 373 R HN 0.175 nan 8.270 nan 0.000 0.511 374 L N 0.862 122.088 121.223 0.005 0.000 2.349 374 L HA 0.334 4.566 4.340 -0.181 0.000 0.275 374 L C 1.143 178.083 176.870 0.116 0.000 1.115 374 L CA -0.005 54.894 54.840 0.098 0.000 0.820 374 L CB 1.120 43.246 42.059 0.111 0.000 1.135 374 L HN 0.629 nan 8.230 nan 0.000 0.445 375 T N -1.108 113.533 114.554 0.144 0.000 2.572 375 T HA 0.180 4.422 4.350 -0.181 0.000 0.274 375 T C 1.000 175.783 174.700 0.138 0.000 0.949 375 T CA 0.397 62.572 62.100 0.125 0.000 1.126 375 T CB 1.328 70.258 68.868 0.104 0.000 1.478 375 T HN 0.736 nan 8.240 nan 0.000 0.492 376 T N -0.581 114.037 114.554 0.106 0.000 3.055 376 T HA 0.153 4.394 4.350 -0.181 0.000 0.265 376 T C 0.725 175.498 174.700 0.122 0.000 1.111 376 T CA 0.488 62.668 62.100 0.133 0.000 1.118 376 T CB -0.108 68.805 68.868 0.075 0.000 0.909 376 T HN 0.484 nan 8.240 nan 0.000 0.501 377 Q N 1.235 121.060 119.800 0.042 0.000 2.303 377 Q HA 0.369 4.600 4.340 -0.181 0.000 0.257 377 Q C -0.563 175.403 176.000 -0.056 0.000 0.941 377 Q CA -0.472 55.300 55.803 -0.052 0.000 0.931 377 Q CB 0.923 29.625 28.738 -0.059 0.000 1.215 377 Q HN 0.454 nan 8.270 nan 0.000 0.437 378 M N 3.623 123.104 119.600 -0.198 0.000 2.250 378 M HA -0.054 4.318 4.480 -0.181 0.000 0.337 378 M C 0.481 176.758 176.300 -0.038 0.000 1.161 378 M CA 1.376 56.605 55.300 -0.118 0.000 1.088 378 M CB 0.425 32.876 32.600 -0.249 0.000 1.639 378 M HN 0.549 nan 8.290 nan 0.000 0.447 379 K N 0.223 120.697 120.400 0.122 0.000 2.554 379 K HA 0.116 4.328 4.320 -0.181 0.000 0.211 379 K C -0.148 176.569 176.600 0.194 0.000 1.226 379 K CA -0.119 56.278 56.287 0.183 0.000 1.025 379 K CB 0.855 33.631 32.500 0.460 0.000 1.021 379 K HN 0.764 nan 8.250 nan 0.000 0.600 380 S N 0.127 115.859 115.700 0.053 0.000 2.610 380 S HA 0.187 4.549 4.470 -0.181 0.000 0.273 380 S C 1.165 175.643 174.600 -0.203 0.000 1.274 380 S CA -0.754 57.245 58.200 -0.334 0.000 1.023 380 S CB 1.628 64.357 63.200 -0.784 0.000 0.962 380 S HN 0.018 nan 8.310 nan 0.000 0.523 381 V N -1.159 118.628 119.914 -0.212 0.000 3.644 381 V HA 0.632 4.644 4.120 -0.181 0.000 0.267 381 V C 0.843 176.869 176.094 -0.114 0.000 1.277 381 V CA 0.673 62.909 62.300 -0.108 0.000 1.096 381 V CB -0.841 30.958 31.823 -0.039 0.000 0.828 381 V HN 1.154 nan 8.190 nan 0.000 0.446 382 G N 0.437 109.134 108.800 -0.173 0.000 2.561 382 G HA2 0.672 4.523 3.960 -0.181 0.000 0.310 382 G HA3 0.672 4.523 3.960 -0.181 0.000 0.310 382 G C -1.678 173.126 174.900 -0.162 0.000 1.292 382 G CA -0.035 44.988 45.100 -0.129 0.000 0.811 382 G HN 0.671 nan 8.290 nan 0.000 0.482 383 E N -2.123 118.015 120.200 -0.104 0.000 2.388 383 E HA 0.577 4.818 4.350 -0.181 0.000 0.281 383 E C -2.139 174.440 176.600 -0.034 0.000 1.046 383 E CA -0.898 55.451 56.400 -0.085 0.000 0.825 383 E CB 2.109 31.765 29.700 -0.074 0.000 1.243 383 E HN 0.802 nan 8.360 nan 0.000 0.438 384 V N 2.137 122.045 119.914 -0.010 0.000 2.960 384 V HA 0.777 4.788 4.120 -0.181 0.000 0.315 384 V C -0.935 175.207 176.094 0.080 0.000 1.087 384 V CA -0.752 61.569 62.300 0.035 0.000 0.982 384 V CB 2.032 33.870 31.823 0.024 0.000 1.039 384 V HN 0.849 nan 8.190 nan 0.000 0.437 385 M N 4.753 124.467 119.600 0.191 0.000 2.572 385 M HA 0.929 5.300 4.480 -0.181 0.000 0.299 385 M C -1.352 175.122 176.300 0.290 0.000 1.205 385 M CA -0.392 55.038 55.300 0.218 0.000 0.876 385 M CB 2.181 34.904 32.600 0.205 0.000 1.728 385 M HN 0.867 nan 8.290 nan 0.000 0.458 386 A N 3.637 126.534 122.820 0.128 0.000 2.539 386 A HA 0.853 5.064 4.320 -0.181 0.000 0.296 386 A C -1.578 175.990 177.584 -0.025 0.000 1.073 386 A CA -0.816 51.289 52.037 0.114 0.000 0.700 386 A CB 1.609 20.658 19.000 0.082 0.000 1.296 386 A HN 0.853 nan 8.150 nan 0.000 0.405 387 I N 1.218 121.744 120.570 -0.072 0.000 2.465 387 I HA 0.656 4.718 4.170 -0.181 0.000 0.291 387 I C 0.401 176.409 176.117 -0.181 0.000 1.014 387 I CA -0.473 60.635 61.300 -0.321 0.000 1.093 387 I CB 1.948 39.448 38.000 -0.833 0.000 1.267 387 I HN 0.815 nan 8.210 nan 0.000 0.431 388 G N 4.347 113.068 108.800 -0.131 0.000 2.660 388 G HA2 0.407 4.259 3.960 -0.181 0.000 0.294 388 G HA3 0.407 4.259 3.960 -0.181 0.000 0.294 388 G C 0.143 175.114 174.900 0.119 0.000 1.369 388 G CA -0.480 44.650 45.100 0.050 0.000 0.912 388 G HN 0.486 nan 8.290 nan 0.000 0.479 389 R N -0.606 120.019 120.500 0.209 0.000 2.276 389 R HA 0.089 4.320 4.340 -0.181 0.000 0.203 389 R C 0.752 177.152 176.300 0.168 0.000 1.017 389 R CA 1.009 57.246 56.100 0.228 0.000 1.010 389 R CB -0.047 30.390 30.300 0.229 0.000 0.900 389 R HN 0.723 nan 8.270 nan 0.000 0.469 390 T N -4.494 110.148 114.554 0.146 0.000 2.868 390 T HA 0.151 4.393 4.350 -0.181 0.000 0.306 390 T C 0.595 175.371 174.700 0.126 0.000 1.224 390 T CA -0.871 61.306 62.100 0.127 0.000 1.012 390 T CB 2.242 71.165 68.868 0.092 0.000 1.221 390 T HN -0.215 nan 8.240 nan 0.000 0.499 391 Q N 0.758 120.646 119.800 0.146 0.000 2.096 391 Q HA -0.159 4.073 4.340 -0.181 0.000 0.204 391 Q C 2.147 178.213 176.000 0.110 0.000 0.982 391 Q CA 2.172 58.081 55.803 0.176 0.000 0.850 391 Q CB -0.469 28.397 28.738 0.213 0.000 0.901 391 Q HN 0.812 nan 8.270 nan 0.000 0.422 392 Q N -0.431 119.399 119.800 0.049 0.000 2.079 392 Q HA -0.185 4.047 4.340 -0.181 0.000 0.200 392 Q C 1.991 177.998 176.000 0.013 0.000 0.974 392 Q CA 1.588 57.403 55.803 0.020 0.000 0.840 392 Q CB -0.101 28.625 28.738 -0.020 0.000 0.898 392 Q HN 0.591 nan 8.270 nan 0.000 0.430 393 E N -0.252 119.971 120.200 0.038 0.000 2.072 393 E HA -0.181 4.061 4.350 -0.181 0.000 0.191 393 E C 2.018 178.650 176.600 0.052 0.000 0.985 393 E CA 1.237 57.666 56.400 0.048 0.000 0.801 393 E CB -0.081 29.677 29.700 0.097 0.000 0.750 393 E HN 0.158 nan 8.360 nan 0.000 0.452 394 S N -0.060 115.680 115.700 0.068 0.000 2.368 394 S HA -0.154 4.208 4.470 -0.181 0.000 0.225 394 S C 1.988 176.607 174.600 0.032 0.000 1.030 394 S CA 1.133 59.367 58.200 0.057 0.000 0.999 394 S CB -0.333 62.912 63.200 0.075 0.000 0.844 394 S HN 0.374 nan 8.310 nan 0.000 0.459 395 L N 1.789 123.032 121.223 0.033 0.000 2.005 395 L HA -0.023 4.208 4.340 -0.181 0.000 0.207 395 L C 2.493 179.311 176.870 -0.087 0.000 1.072 395 L CA 1.960 56.789 54.840 -0.017 0.000 0.744 395 L CB -1.011 41.072 42.059 0.040 0.000 0.895 395 L HN 0.346 nan 8.230 nan 0.000 0.433 396 Q N -0.319 119.437 119.800 -0.072 0.000 2.084 396 Q HA -0.248 3.984 4.340 -0.181 0.000 0.202 396 Q C 2.244 178.193 176.000 -0.086 0.000 0.978 396 Q CA 1.876 57.596 55.803 -0.138 0.000 0.844 396 Q CB -0.191 28.451 28.738 -0.161 0.000 0.898 396 Q HN 0.576 nan 8.270 nan 0.000 0.426 397 K N 0.536 120.924 120.400 -0.021 0.000 2.032 397 K HA -0.176 4.036 4.320 -0.181 0.000 0.209 397 K C 2.155 178.765 176.600 0.017 0.000 1.048 397 K CA 1.330 57.633 56.287 0.027 0.000 0.927 397 K CB -0.251 32.293 32.500 0.073 0.000 0.712 397 K HN 0.151 nan 8.250 nan 0.000 0.441 398 A N 1.459 124.277 122.820 -0.003 0.000 1.883 398 A HA -0.174 4.038 4.320 -0.181 0.000 0.217 398 A C 2.161 179.723 177.584 -0.037 0.000 1.186 398 A CA 1.417 53.448 52.037 -0.009 0.000 0.624 398 A CB -0.774 18.209 19.000 -0.029 0.000 0.822 398 A HN 0.186 nan 8.150 nan 0.000 0.444 399 L N -0.399 120.760 121.223 -0.106 0.000 2.042 399 L HA -0.255 3.977 4.340 -0.181 0.000 0.210 399 L C 2.781 179.655 176.870 0.008 0.000 1.076 399 L CA 2.023 56.806 54.840 -0.096 0.000 0.749 399 L CB -0.499 41.388 42.059 -0.288 0.000 0.893 399 L HN 0.631 nan 8.230 nan 0.000 0.432 400 R N 0.023 120.518 120.500 -0.008 0.000 2.276 400 R HA -0.010 4.221 4.340 -0.181 0.000 0.203 400 R C 1.749 178.065 176.300 0.026 0.000 1.017 400 R CA 1.125 57.237 56.100 0.020 0.000 1.010 400 R CB -0.470 29.844 30.300 0.023 0.000 0.900 400 R HN 0.215 nan 8.270 nan 0.000 0.469 401 G N 0.510 109.326 108.800 0.027 0.000 3.126 401 G HA2 -0.007 3.844 3.960 -0.181 0.000 0.224 401 G HA3 -0.007 3.844 3.960 -0.181 0.000 0.224 401 G C 0.968 175.880 174.900 0.021 0.000 1.142 401 G CA -0.376 44.739 45.100 0.025 0.000 0.759 401 G HN 0.204 nan 8.290 nan 0.000 0.550 402 L N 0.231 121.476 121.223 0.035 0.000 2.362 402 L HA 0.136 4.368 4.340 -0.181 0.000 0.219 402 L C 1.113 178.003 176.870 0.034 0.000 1.134 402 L CA 0.942 55.811 54.840 0.048 0.000 0.807 402 L CB -0.103 42.021 42.059 0.107 0.000 0.927 402 L HN 0.174 nan 8.230 nan 0.000 0.447 403 E N -1.131 119.079 120.200 0.017 0.000 2.694 403 E HA -0.170 4.072 4.350 -0.181 0.000 0.272 403 E C 0.745 177.339 176.600 -0.009 0.000 1.040 403 E CA 0.966 57.362 56.400 -0.006 0.000 0.809 403 E CB -2.170 27.517 29.700 -0.021 0.000 1.389 403 E HN 0.454 nan 8.360 nan 0.000 0.413 404 V N -3.862 116.052 119.914 -0.001 0.000 3.319 404 V HA 0.617 4.629 4.120 -0.181 0.000 0.317 404 V C 1.289 177.330 176.094 -0.088 0.000 1.411 404 V CA 0.853 63.131 62.300 -0.036 0.000 1.112 404 V CB 0.580 32.383 31.823 -0.034 0.000 1.031 404 V HN 0.572 nan 8.190 nan 0.000 0.448 405 G N -0.031 108.731 108.800 -0.063 0.000 2.143 405 G HA2 -0.026 3.826 3.960 -0.181 0.000 0.249 405 G HA3 -0.026 3.826 3.960 -0.181 0.000 0.249 405 G C 0.290 175.139 174.900 -0.086 0.000 0.981 405 G CA 0.248 45.303 45.100 -0.074 0.000 0.665 405 G HN 1.673 nan 8.290 nan 0.000 0.528 406 A N -0.219 122.561 122.820 -0.067 0.000 2.303 406 A HA 0.851 5.062 4.320 -0.181 0.000 0.317 406 A C 1.228 178.827 177.584 0.024 0.000 1.149 406 A CA 0.891 52.907 52.037 -0.035 0.000 0.822 406 A CB 0.940 19.966 19.000 0.044 0.000 1.131 406 A HN 1.428 nan 8.150 nan 0.000 0.493 407 T N -1.463 113.116 114.554 0.041 0.000 3.044 407 T HA 0.539 4.781 4.350 -0.181 0.000 0.260 407 T C 0.876 175.616 174.700 0.067 0.000 1.019 407 T CA 0.992 63.124 62.100 0.053 0.000 0.921 407 T CB -0.084 68.820 68.868 0.059 0.000 1.053 407 T HN 2.147 nan 8.240 nan 0.000 0.533 408 G N 1.411 110.250 108.800 0.064 0.000 2.374 408 G HA2 0.180 4.031 3.960 -0.181 0.000 0.067 408 G HA3 0.180 4.031 3.960 -0.181 0.000 0.067 408 G C -1.268 173.609 174.900 -0.039 0.000 1.023 408 G CA -0.779 44.298 45.100 -0.038 0.000 1.131 408 G HN 0.190 nan 8.290 nan 0.000 0.436 409 F N 3.824 123.897 119.950 0.205 0.000 2.640 409 F HA 0.326 4.746 4.527 -0.179 0.000 0.331 409 F C 0.273 176.247 175.800 0.289 0.000 1.200 409 F CA -0.584 57.580 58.000 0.274 0.000 1.278 409 F CB 0.229 39.321 39.000 0.153 0.000 1.571 409 F HN 0.045 nan 8.300 nan 0.000 0.576 410 D N 3.013 123.633 120.400 0.366 0.000 2.382 410 D HA 0.096 4.627 4.640 -0.181 0.000 0.245 410 D C -2.196 174.192 176.300 0.146 0.000 1.120 410 D CA -1.028 53.076 54.000 0.173 0.000 0.890 410 D CB 0.801 41.612 40.800 0.018 0.000 1.201 410 D HN 0.098 nan 8.370 nan 0.000 0.433 411 P HA 0.110 nan 4.420 nan 0.000 0.271 411 P C 0.151 177.406 177.300 -0.074 0.000 1.218 411 P CA -0.190 62.930 63.100 0.033 0.000 0.780 411 P CB 1.149 32.871 31.700 0.036 0.000 0.901 412 K N 1.007 121.318 120.400 -0.149 0.000 2.350 412 K HA 0.140 4.352 4.320 -0.181 0.000 0.196 412 K C 0.339 176.877 176.600 -0.105 0.000 1.084 412 K CA 0.396 56.530 56.287 -0.254 0.000 0.967 412 K CB 0.454 32.529 32.500 -0.708 0.000 0.950 412 K HN 0.432 nan 8.250 nan 0.000 0.512 413 V N -1.913 117.978 119.914 -0.039 0.000 2.914 413 V HA 0.541 4.553 4.120 -0.181 0.000 0.314 413 V C -0.258 175.855 176.094 0.032 0.000 1.084 413 V CA -1.174 61.151 62.300 0.042 0.000 0.963 413 V CB 1.676 33.573 31.823 0.122 0.000 1.025 413 V HN -0.025 nan 8.190 nan 0.000 0.432 414 S N 1.522 117.242 115.700 0.034 0.000 2.580 414 S HA 0.447 4.809 4.470 -0.181 0.000 0.274 414 S C 0.883 175.505 174.600 0.036 0.000 1.329 414 S CA -0.516 57.702 58.200 0.029 0.000 1.036 414 S CB 0.676 63.889 63.200 0.022 0.000 0.919 414 S HN 0.771 nan 8.310 nan 0.000 0.515 415 L N 2.272 123.516 121.223 0.035 0.000 2.201 415 L HA -0.049 4.183 4.340 -0.181 0.000 0.212 415 L C 1.550 178.439 176.870 0.032 0.000 1.105 415 L CA 1.356 56.218 54.840 0.037 0.000 0.775 415 L CB -0.432 41.649 42.059 0.037 0.000 0.913 415 L HN 0.754 nan 8.230 nan 0.000 0.440 416 D N -2.451 117.965 120.400 0.027 0.000 2.340 416 D HA -0.080 4.452 4.640 -0.181 0.000 0.220 416 D C 0.629 176.942 176.300 0.022 0.000 1.039 416 D CA -0.121 53.893 54.000 0.023 0.000 0.866 416 D CB -0.368 40.443 40.800 0.018 0.000 0.913 416 D HN 0.012 nan 8.370 nan 0.000 0.523 417 D N 1.403 121.818 120.400 0.026 0.000 2.363 417 D HA 0.013 4.545 4.640 -0.181 0.000 0.263 417 D C -1.168 175.148 176.300 0.025 0.000 1.258 417 D CA -1.736 52.280 54.000 0.026 0.000 0.907 417 D CB 1.383 42.203 40.800 0.033 0.000 1.107 417 D HN -0.034 nan 8.370 nan 0.000 0.495 418 P HA -0.106 nan 4.420 nan 0.000 0.217 418 P C 0.723 178.033 177.300 0.017 0.000 1.150 418 P CA 0.980 64.090 63.100 0.017 0.000 0.832 418 P CB 0.314 32.021 31.700 0.013 0.000 0.787 419 E N -0.792 119.419 120.200 0.017 0.000 2.502 419 E HA 0.097 4.339 4.350 -0.181 0.000 0.194 419 E C 1.955 178.569 176.600 0.024 0.000 1.062 419 E CA 0.225 56.634 56.400 0.015 0.000 0.867 419 E CB -0.239 29.467 29.700 0.010 0.000 0.888 419 E HN 0.130 nan 8.360 nan 0.000 0.510 420 A N 1.174 124.016 122.820 0.035 0.000 1.927 420 A HA -0.215 3.997 4.320 -0.181 0.000 0.220 420 A C 2.074 179.690 177.584 0.053 0.000 1.185 420 A CA 1.197 53.267 52.037 0.055 0.000 0.639 420 A CB -0.573 18.465 19.000 0.062 0.000 0.820 420 A HN 0.236 nan 8.150 nan 0.000 0.451 421 L N -1.034 120.211 121.223 0.037 0.000 2.275 421 L HA -0.115 4.116 4.340 -0.181 0.000 0.215 421 L C 2.642 179.519 176.870 0.011 0.000 1.119 421 L CA 1.371 56.228 54.840 0.029 0.000 0.790 421 L CB -0.439 41.634 42.059 0.024 0.000 0.919 421 L HN 0.372 nan 8.230 nan 0.000 0.443 422 T N -0.329 114.228 114.554 0.005 0.000 2.770 422 T HA -0.125 4.116 4.350 -0.181 0.000 0.263 422 T C 1.844 176.523 174.700 -0.036 0.000 1.039 422 T CA 1.151 63.242 62.100 -0.015 0.000 1.142 422 T CB 0.075 68.934 68.868 -0.015 0.000 0.868 422 T HN 0.339 nan 8.240 nan 0.000 0.435 423 K N 1.041 121.425 120.400 -0.026 0.000 2.002 423 K HA 0.006 4.217 4.320 -0.181 0.000 0.209 423 K C 2.185 178.703 176.600 -0.136 0.000 1.048 423 K CA 1.282 57.526 56.287 -0.071 0.000 0.930 423 K CB -0.450 32.048 32.500 -0.003 0.000 0.714 423 K HN 0.280 nan 8.250 nan 0.000 0.438 424 I N 1.204 121.767 120.570 -0.011 0.000 2.194 424 I HA -0.307 3.755 4.170 -0.181 0.000 0.246 424 I C 2.881 178.965 176.117 -0.055 0.000 1.093 424 I CA 1.266 62.588 61.300 0.036 0.000 1.355 424 I CB -0.287 37.773 38.000 0.100 0.000 1.046 424 I HN 0.218 nan 8.210 nan 0.000 0.413 425 R N 0.939 121.409 120.500 -0.050 0.000 2.081 425 R HA -0.203 4.029 4.340 -0.181 0.000 0.235 425 R C 2.557 178.803 176.300 -0.090 0.000 1.131 425 R CA 1.462 57.528 56.100 -0.056 0.000 0.960 425 R CB -0.249 30.027 30.300 -0.039 0.000 0.856 425 R HN 0.268 nan 8.270 nan 0.000 0.436 426 R N 0.552 120.980 120.500 -0.120 0.000 2.080 426 R HA -0.142 4.090 4.340 -0.181 0.000 0.236 426 R C 1.678 177.870 176.300 -0.180 0.000 1.137 426 R CA 1.727 57.742 56.100 -0.142 0.000 0.943 426 R CB -0.185 30.025 30.300 -0.150 0.000 0.846 426 R HN 0.216 nan 8.270 nan 0.000 0.431 427 E N 0.601 120.631 120.200 -0.283 0.000 2.209 427 E HA -0.179 4.063 4.350 -0.181 0.000 0.196 427 E C 1.930 178.440 176.600 -0.150 0.000 0.993 427 E CA 0.796 56.989 56.400 -0.344 0.000 0.819 427 E CB -0.095 29.088 29.700 -0.861 0.000 0.745 427 E HN 0.248 nan 8.360 nan 0.000 0.477 428 L N 0.766 121.928 121.223 -0.103 0.000 2.162 428 L HA -0.003 4.229 4.340 -0.181 0.000 0.205 428 L C 2.280 179.117 176.870 -0.055 0.000 1.086 428 L CA 1.347 56.160 54.840 -0.044 0.000 0.778 428 L CB -0.374 41.661 42.059 -0.039 0.000 0.928 428 L HN -0.033 nan 8.230 nan 0.000 0.446 429 K N -0.781 119.575 120.400 -0.073 0.000 2.103 429 K HA -0.055 4.156 4.320 -0.181 0.000 0.204 429 K C -0.374 176.184 176.600 -0.071 0.000 1.052 429 K CA 1.049 57.294 56.287 -0.072 0.000 0.945 429 K CB 0.261 32.716 32.500 -0.076 0.000 0.722 429 K HN 0.222 nan 8.250 nan 0.000 0.443 430 D N 1.069 121.418 120.400 -0.084 0.000 2.404 430 D HA 0.171 4.702 4.640 -0.181 0.000 0.267 430 D C -1.141 175.114 176.300 -0.075 0.000 1.194 430 D CA -0.152 53.800 54.000 -0.080 0.000 0.910 430 D CB 1.399 42.134 40.800 -0.108 0.000 1.090 430 D HN 0.233 nan 8.370 nan 0.000 0.511 431 A N 1.447 124.245 122.820 -0.037 0.000 2.565 431 A HA 0.494 4.706 4.320 -0.181 0.000 0.237 431 A C 0.871 178.427 177.584 -0.046 0.000 1.053 431 A CA 0.403 52.431 52.037 -0.017 0.000 0.755 431 A CB 0.492 19.511 19.000 0.032 0.000 0.980 431 A HN 0.511 nan 8.150 nan 0.000 0.506 432 G N -0.831 107.939 108.800 -0.051 0.000 3.013 432 G HA2 0.575 4.427 3.960 -0.181 0.000 0.278 432 G HA3 0.575 4.427 3.960 -0.181 0.000 0.278 432 G C 0.750 175.609 174.900 -0.067 0.000 1.353 432 G CA 0.077 45.110 45.100 -0.111 0.000 1.043 432 G HN 1.354 nan 8.290 nan 0.000 0.523 433 A N -0.944 121.796 122.820 -0.135 0.000 2.168 433 A HA 0.126 4.338 4.320 -0.181 0.000 0.215 433 A C 1.437 179.201 177.584 0.301 0.000 1.152 433 A CA 1.551 53.517 52.037 -0.118 0.000 0.716 433 A CB -0.098 18.703 19.000 -0.331 0.000 0.794 433 A HN 0.392 nan 8.150 nan 0.000 0.465 434 D N -0.973 119.640 120.400 0.354 0.000 2.350 434 D HA 0.027 4.558 4.640 -0.181 0.000 0.213 434 D C 1.779 178.471 176.300 0.654 0.000 1.031 434 D CA 0.109 54.505 54.000 0.659 0.000 0.861 434 D CB -0.162 40.979 40.800 0.569 0.000 0.926 434 D HN 0.503 nan 8.370 nan 0.000 0.520 435 R N 0.708 121.436 120.500 0.381 0.000 2.119 435 R HA -0.212 4.020 4.340 -0.181 0.000 0.246 435 R C 2.021 178.454 176.300 0.222 0.000 1.146 435 R CA 1.137 57.413 56.100 0.292 0.000 0.962 435 R CB -0.378 30.020 30.300 0.164 0.000 0.863 435 R HN 0.115 nan 8.270 nan 0.000 0.442 436 I N 0.229 120.812 120.570 0.021 0.000 2.264 436 I HA -0.275 3.786 4.170 -0.181 0.000 0.248 436 I C 1.577 177.618 176.117 -0.127 0.000 1.111 436 I CA 1.467 62.648 61.300 -0.200 0.000 1.382 436 I CB -0.228 37.368 38.000 -0.673 0.000 1.060 436 I HN 0.314 nan 8.210 nan 0.000 0.418 437 W N -0.713 120.675 121.300 0.147 0.000 2.418 437 W HA -0.161 4.394 4.660 -0.175 0.000 0.292 437 W C 2.515 179.033 176.519 -0.001 0.000 1.213 437 W CA 0.768 58.159 57.345 0.077 0.000 1.283 437 W CB -1.298 28.111 29.460 -0.085 0.000 1.119 437 W HN 0.200 nan 8.180 nan 0.000 0.542 438 Y N 0.529 120.992 120.300 0.271 0.000 2.333 438 Y HA -0.185 4.254 4.550 -0.185 0.000 0.290 438 Y C 2.451 178.364 175.900 0.022 0.000 1.144 438 Y CA 1.149 59.328 58.100 0.131 0.000 1.228 438 Y CB -0.777 37.738 38.460 0.092 0.000 0.985 438 Y HN -0.165 nan 8.280 nan 0.000 0.542 439 I N -0.739 119.904 120.570 0.122 0.000 2.202 439 I HA -0.320 3.741 4.170 -0.181 0.000 0.242 439 I C 2.570 178.517 176.117 -0.284 0.000 1.091 439 I CA 1.140 62.382 61.300 -0.097 0.000 1.368 439 I CB -0.560 37.445 38.000 0.008 0.000 1.058 439 I HN 0.198 nan 8.210 nan 0.000 0.410 440 A N 0.325 123.110 122.820 -0.057 0.000 1.930 440 A HA -0.230 3.982 4.320 -0.181 0.000 0.217 440 A C 1.919 179.516 177.584 0.021 0.000 1.175 440 A CA 1.901 53.932 52.037 -0.010 0.000 0.627 440 A CB -0.544 18.462 19.000 0.011 0.000 0.815 440 A HN 0.322 nan 8.150 nan 0.000 0.443 441 D N 0.078 120.500 120.400 0.038 0.000 2.178 441 D HA -0.047 4.484 4.640 -0.181 0.000 0.201 441 D C 2.173 178.481 176.300 0.013 0.000 0.980 441 D CA 1.323 55.353 54.000 0.051 0.000 0.842 441 D CB -0.306 40.531 40.800 0.061 0.000 0.948 441 D HN 0.428 nan 8.370 nan 0.000 0.472 442 A N 0.160 122.916 122.820 -0.106 0.000 1.902 442 A HA -0.164 4.048 4.320 -0.181 0.000 0.217 442 A C 1.908 179.416 177.584 -0.127 0.000 1.181 442 A CA 0.978 52.909 52.037 -0.177 0.000 0.623 442 A CB -0.812 17.984 19.000 -0.340 0.000 0.818 442 A HN 0.128 nan 8.150 nan 0.000 0.443 443 F N 0.113 120.090 119.950 0.046 0.000 2.146 443 F HA -0.063 4.356 4.527 -0.179 0.000 0.298 443 F C 2.497 178.314 175.800 0.029 0.000 1.096 443 F CA 1.170 59.186 58.000 0.026 0.000 1.275 443 F CB -0.721 38.278 39.000 -0.001 0.000 1.008 443 F HN 0.136 nan 8.300 nan 0.000 0.480 444 R N 0.252 120.876 120.500 0.206 0.000 2.091 444 R HA -0.103 4.128 4.340 -0.181 0.000 0.238 444 R C 2.183 178.545 176.300 0.104 0.000 1.136 444 R CA 1.386 57.567 56.100 0.135 0.000 0.959 444 R CB -0.910 29.454 30.300 0.107 0.000 0.856 444 R HN 0.256 nan 8.270 nan 0.000 0.437 445 A N 0.200 123.075 122.820 0.091 0.000 2.235 445 A HA 0.191 4.403 4.320 -0.181 0.000 0.208 445 A C 1.342 178.970 177.584 0.074 0.000 1.172 445 A CA 0.799 52.878 52.037 0.071 0.000 0.786 445 A CB -0.145 18.889 19.000 0.058 0.000 0.804 445 A HN 0.506 nan 8.150 nan 0.000 0.479 446 G N -1.362 107.499 108.800 0.101 0.000 2.132 446 G HA2 -0.184 3.667 3.960 -0.181 0.000 0.228 446 G HA3 -0.184 3.667 3.960 -0.181 0.000 0.228 446 G C -0.013 174.953 174.900 0.111 0.000 1.000 446 G CA 0.184 45.345 45.100 0.102 0.000 0.693 446 G HN 0.407 nan 8.290 nan 0.000 0.515 447 L N 1.315 122.613 121.223 0.125 0.000 2.399 447 L HA 0.609 4.841 4.340 -0.181 0.000 0.266 447 L C 1.359 178.357 176.870 0.213 0.000 1.114 447 L CA -0.053 54.855 54.840 0.114 0.000 0.804 447 L CB 1.443 43.529 42.059 0.044 0.000 1.146 447 L HN 0.451 nan 8.230 nan 0.000 0.451 448 S N 0.844 116.652 115.700 0.179 0.000 2.646 448 S HA 0.238 4.599 4.470 -0.181 0.000 0.276 448 S C 1.062 175.843 174.600 0.301 0.000 1.222 448 S CA -0.922 57.407 58.200 0.216 0.000 1.014 448 S CB 1.732 65.007 63.200 0.125 0.000 0.991 448 S HN 0.338 nan 8.310 nan 0.000 0.533 449 V N 1.582 121.681 119.914 0.309 0.000 2.317 449 V HA -0.226 3.785 4.120 -0.181 0.000 0.251 449 V C 2.183 178.431 176.094 0.257 0.000 1.065 449 V CA 2.514 65.006 62.300 0.319 0.000 1.049 449 V CB -0.918 30.977 31.823 0.120 0.000 0.651 449 V HN 0.884 nan 8.190 nan 0.000 0.450 450 D N 0.170 120.672 120.400 0.171 0.000 2.117 450 D HA -0.099 4.433 4.640 -0.181 0.000 0.197 450 D C 2.184 178.621 176.300 0.230 0.000 0.987 450 D CA 1.599 55.700 54.000 0.169 0.000 0.829 450 D CB -0.600 40.256 40.800 0.094 0.000 0.961 450 D HN 0.497 nan 8.370 nan 0.000 0.460 451 G N 0.771 109.675 108.800 0.174 0.000 2.421 451 G HA2 -0.203 3.649 3.960 -0.181 0.000 0.216 451 G HA3 -0.203 3.649 3.960 -0.181 0.000 0.216 451 G C 1.885 176.858 174.900 0.122 0.000 1.171 451 G CA 0.689 45.868 45.100 0.132 0.000 0.775 451 G HN 0.227 nan 8.290 nan 0.000 0.543 452 V N 0.455 120.450 119.914 0.136 0.000 2.343 452 V HA -0.144 3.868 4.120 -0.181 0.000 0.247 452 V C 2.329 178.490 176.094 0.111 0.000 1.051 452 V CA 1.897 64.243 62.300 0.076 0.000 1.036 452 V CB -0.587 31.264 31.823 0.047 0.000 0.654 452 V HN 0.426 nan 8.190 nan 0.000 0.451 453 F N 1.750 121.738 119.950 0.062 0.000 2.146 453 F HA -0.161 4.258 4.527 -0.180 0.000 0.298 453 F C 2.322 178.145 175.800 0.038 0.000 1.096 453 F CA 1.820 59.851 58.000 0.052 0.000 1.275 453 F CB -0.360 38.678 39.000 0.064 0.000 1.008 453 F HN 0.182 nan 8.300 nan 0.000 0.480 454 N N 0.947 119.721 118.700 0.123 0.000 2.205 454 N HA -0.167 4.464 4.740 -0.181 0.000 0.186 454 N C 1.948 177.378 175.510 -0.134 0.000 1.015 454 N CA 1.606 54.650 53.050 -0.009 0.000 0.862 454 N CB -0.415 38.141 38.487 0.114 0.000 0.986 454 N HN 0.396 nan 8.380 nan 0.000 0.429 455 L N 0.119 121.285 121.223 -0.096 0.000 2.102 455 L HA -0.050 4.182 4.340 -0.181 0.000 0.202 455 L C 2.434 179.226 176.870 -0.130 0.000 1.076 455 L CA 1.396 56.183 54.840 -0.088 0.000 0.761 455 L CB -0.459 41.570 42.059 -0.050 0.000 0.921 455 L HN 0.270 nan 8.230 nan 0.000 0.444 456 T N -5.051 109.402 114.554 -0.169 0.000 3.040 456 T HA 0.079 4.321 4.350 -0.181 0.000 0.252 456 T C 0.904 175.448 174.700 -0.260 0.000 1.064 456 T CA 0.589 62.591 62.100 -0.163 0.000 1.110 456 T CB -0.102 68.703 68.868 -0.104 0.000 0.921 456 T HN 0.355 nan 8.240 nan 0.000 0.480 457 N N 0.270 118.649 118.700 -0.535 0.000 2.878 457 N HA -0.114 4.517 4.740 -0.181 0.000 0.247 457 N C -0.776 174.553 175.510 -0.302 0.000 1.021 457 N CA 0.506 53.157 53.050 -0.663 0.000 0.873 457 N CB -1.710 36.588 38.487 -0.315 0.000 1.128 457 N HN 0.555 nan 8.380 nan 0.000 0.571 458 I N 0.986 121.433 120.570 -0.205 0.000 2.529 458 I HA 0.020 4.082 4.170 -0.181 0.000 0.284 458 I C 0.972 177.231 176.117 0.236 0.000 1.082 458 I CA -0.103 61.117 61.300 -0.134 0.000 1.406 458 I CB 0.409 38.158 38.000 -0.418 0.000 1.405 458 I HN 0.126 nan 8.210 nan 0.000 0.548 459 D N 5.618 126.215 120.400 0.328 0.000 2.525 459 D HA -0.052 4.480 4.640 -0.181 0.000 0.235 459 D C 1.160 177.686 176.300 0.378 0.000 1.137 459 D CA 0.323 54.576 54.000 0.421 0.000 0.868 459 D CB 0.830 41.851 40.800 0.369 0.000 1.180 459 D HN 0.480 nan 8.370 nan 0.000 0.465 460 R N 2.722 123.354 120.500 0.221 0.000 2.127 460 R HA -0.198 4.034 4.340 -0.181 0.000 0.238 460 R C 1.964 178.346 176.300 0.138 0.000 1.134 460 R CA 1.157 57.341 56.100 0.140 0.000 0.975 460 R CB -0.173 30.111 30.300 -0.027 0.000 0.865 460 R HN 0.657 nan 8.270 nan 0.000 0.447 461 W N 0.766 122.017 121.300 -0.082 0.000 2.325 461 W HA -0.234 4.317 4.660 -0.182 0.000 0.299 461 W C 1.253 177.671 176.519 -0.168 0.000 1.215 461 W CA 1.573 58.802 57.345 -0.194 0.000 1.244 461 W CB -0.189 29.043 29.460 -0.380 0.000 1.140 461 W HN -0.021 nan 8.180 nan 0.000 0.523 462 F N -0.591 119.517 119.950 0.263 0.000 2.179 462 F HA -0.022 4.398 4.527 -0.178 0.000 0.292 462 F C 2.247 178.113 175.800 0.109 0.000 1.089 462 F CA 1.175 59.287 58.000 0.187 0.000 1.295 462 F CB -1.207 37.961 39.000 0.281 0.000 1.041 462 F HN -0.269 nan 8.300 nan 0.000 0.487 463 L N 0.237 121.662 121.223 0.336 0.000 2.079 463 L HA -0.184 4.047 4.340 -0.181 0.000 0.210 463 L C 2.568 179.504 176.870 0.110 0.000 1.081 463 L CA 1.332 56.360 54.840 0.314 0.000 0.752 463 L CB -1.045 41.229 42.059 0.359 0.000 0.896 463 L HN 0.175 nan 8.230 nan 0.000 0.433 464 V N -2.504 117.395 119.914 -0.025 0.000 2.407 464 V HA -0.265 3.747 4.120 -0.181 0.000 0.248 464 V C 2.170 178.137 176.094 -0.212 0.000 1.055 464 V CA 1.473 63.669 62.300 -0.174 0.000 1.049 464 V CB -0.843 30.880 31.823 -0.168 0.000 0.662 464 V HN 0.521 nan 8.190 nan 0.000 0.455 465 Q N 0.252 119.944 119.800 -0.181 0.000 2.167 465 Q HA 0.004 4.236 4.340 -0.181 0.000 0.202 465 Q C 2.308 178.232 176.000 -0.127 0.000 0.970 465 Q CA 1.996 57.694 55.803 -0.175 0.000 0.855 465 Q CB -0.295 28.312 28.738 -0.218 0.000 0.911 465 Q HN 0.665 nan 8.270 nan 0.000 0.438 466 I N 0.836 121.363 120.570 -0.072 0.000 2.286 466 I HA -0.224 3.838 4.170 -0.181 0.000 0.245 466 I C 2.505 178.504 176.117 -0.198 0.000 1.104 466 I CA 0.994 62.209 61.300 -0.142 0.000 1.397 466 I CB -0.218 37.780 38.000 -0.003 0.000 1.072 466 I HN 0.248 nan 8.210 nan 0.000 0.417 467 E N 1.232 121.180 120.200 -0.421 0.000 2.085 467 E HA -0.322 3.920 4.350 -0.181 0.000 0.194 467 E C 2.076 178.476 176.600 -0.333 0.000 0.994 467 E CA 1.685 57.620 56.400 -0.776 0.000 0.801 467 E CB -0.006 28.933 29.700 -1.267 0.000 0.743 467 E HN 0.489 nan 8.360 nan 0.000 0.453 468 E N 0.446 120.506 120.200 -0.235 0.000 2.038 468 E HA -0.232 4.010 4.350 -0.181 0.000 0.195 468 E C 2.314 178.902 176.600 -0.020 0.000 1.000 468 E CA 1.497 57.829 56.400 -0.114 0.000 0.803 468 E CB -0.209 29.433 29.700 -0.096 0.000 0.750 468 E HN 0.318 nan 8.360 nan 0.000 0.448 469 L N 0.435 121.646 121.223 -0.020 0.000 2.043 469 L HA -0.237 3.995 4.340 -0.181 0.000 0.212 469 L C 2.619 179.601 176.870 0.187 0.000 1.075 469 L CA 1.103 56.010 54.840 0.113 0.000 0.752 469 L CB -0.548 41.462 42.059 -0.081 0.000 0.891 469 L HN 0.157 nan 8.230 nan 0.000 0.432 470 V N -0.467 119.472 119.914 0.041 0.000 2.407 470 V HA -0.227 3.784 4.120 -0.181 0.000 0.248 470 V C 2.711 178.856 176.094 0.084 0.000 1.055 470 V CA 1.510 63.861 62.300 0.084 0.000 1.049 470 V CB -0.636 31.245 31.823 0.097 0.000 0.662 470 V HN 0.419 nan 8.190 nan 0.000 0.455 471 R N -0.224 120.299 120.500 0.039 0.000 2.081 471 R HA -0.047 4.185 4.340 -0.181 0.000 0.235 471 R C 2.249 178.584 176.300 0.057 0.000 1.131 471 R CA 1.292 57.409 56.100 0.028 0.000 0.960 471 R CB -0.873 29.417 30.300 -0.017 0.000 0.856 471 R HN 0.419 nan 8.270 nan 0.000 0.436 472 L N 0.915 122.198 121.223 0.101 0.000 2.046 472 L HA -0.138 4.094 4.340 -0.181 0.000 0.208 472 L C 2.636 179.538 176.870 0.053 0.000 1.077 472 L CA 1.190 56.104 54.840 0.124 0.000 0.747 472 L CB -0.378 41.797 42.059 0.193 0.000 0.896 472 L HN 0.220 nan 8.230 nan 0.000 0.432 473 E N 0.152 120.387 120.200 0.059 0.000 2.070 473 E HA -0.297 3.944 4.350 -0.181 0.000 0.197 473 E C 2.036 178.653 176.600 0.028 0.000 1.004 473 E CA 1.749 58.159 56.400 0.017 0.000 0.805 473 E CB 0.023 29.818 29.700 0.158 0.000 0.744 473 E HN 0.537 nan 8.360 nan 0.000 0.451 474 E N 0.315 120.547 120.200 0.054 0.000 2.077 474 E HA -0.203 4.038 4.350 -0.181 0.000 0.193 474 E C 2.128 178.750 176.600 0.038 0.000 0.989 474 E CA 1.228 57.655 56.400 0.045 0.000 0.800 474 E CB -0.029 29.696 29.700 0.042 0.000 0.746 474 E HN 0.087 nan 8.360 nan 0.000 0.452 475 K N 0.670 121.099 120.400 0.048 0.000 2.002 475 K HA -0.171 4.041 4.320 -0.181 0.000 0.209 475 K C 2.041 178.703 176.600 0.103 0.000 1.048 475 K CA 1.467 57.783 56.287 0.048 0.000 0.930 475 K CB -0.122 32.406 32.500 0.047 0.000 0.714 475 K HN -0.044 nan 8.250 nan 0.000 0.438 476 V N 1.675 121.678 119.914 0.148 0.000 2.231 476 V HA -0.344 3.667 4.120 -0.181 0.000 0.250 476 V C 2.550 178.676 176.094 0.054 0.000 1.058 476 V CA 2.225 64.588 62.300 0.106 0.000 1.022 476 V CB -1.118 30.659 31.823 -0.076 0.000 0.640 476 V HN 0.592 nan 8.190 nan 0.000 0.445 477 A N -0.712 122.124 122.820 0.028 0.000 1.903 477 A HA -0.358 3.854 4.320 -0.181 0.000 0.219 477 A C 2.281 179.880 177.584 0.026 0.000 1.191 477 A CA 2.522 54.572 52.037 0.023 0.000 0.638 477 A CB -0.649 18.366 19.000 0.026 0.000 0.823 477 A HN 0.678 nan 8.150 nan 0.000 0.451 478 E N -0.505 119.712 120.200 0.028 0.000 2.047 478 E HA -0.139 4.102 4.350 -0.181 0.000 0.191 478 E C 1.960 178.572 176.600 0.020 0.000 0.987 478 E CA 1.807 58.218 56.400 0.019 0.000 0.799 478 E CB -0.157 29.549 29.700 0.010 0.000 0.752 478 E HN 0.594 nan 8.360 nan 0.000 0.449 479 V N -1.834 118.101 119.914 0.035 0.000 3.129 479 V HA 0.231 4.243 4.120 -0.181 0.000 0.259 479 V C 1.055 177.179 176.094 0.049 0.000 1.116 479 V CA 0.793 63.118 62.300 0.041 0.000 1.127 479 V CB -0.884 30.973 31.823 0.057 0.000 0.742 479 V HN 0.415 nan 8.190 nan 0.000 0.474 480 G N 0.455 109.282 108.800 0.046 0.000 2.749 480 G HA2 -0.363 3.489 3.960 -0.181 0.000 0.242 480 G HA3 -0.363 3.489 3.960 -0.181 0.000 0.242 480 G C 0.420 175.343 174.900 0.039 0.000 1.364 480 G CA 0.387 45.506 45.100 0.031 0.000 0.888 480 G HN 0.909 nan 8.290 nan 0.000 0.566 481 I N -0.467 120.116 120.570 0.023 0.000 2.286 481 I HA -0.118 3.944 4.170 -0.181 0.000 0.248 481 I C 2.837 178.982 176.117 0.047 0.000 1.115 481 I CA 2.825 64.137 61.300 0.021 0.000 1.392 481 I CB -0.258 37.743 38.000 0.003 0.000 1.065 481 I HN 0.707 nan 8.210 nan 0.000 0.418 482 T N 0.333 114.913 114.554 0.045 0.000 2.665 482 T HA -0.183 4.059 4.350 -0.181 0.000 0.268 482 T C 1.539 176.285 174.700 0.077 0.000 1.035 482 T CA 1.660 63.791 62.100 0.052 0.000 1.151 482 T CB -0.715 68.174 68.868 0.036 0.000 0.862 482 T HN 0.649 nan 8.240 nan 0.000 0.438 483 G N 0.519 109.372 108.800 0.088 0.000 2.848 483 G HA2 0.098 3.950 3.960 -0.181 0.000 0.208 483 G HA3 0.098 3.950 3.960 -0.181 0.000 0.208 483 G C 0.661 175.702 174.900 0.234 0.000 1.152 483 G CA -0.114 45.059 45.100 0.122 0.000 0.789 483 G HN 0.477 nan 8.290 nan 0.000 0.531 484 L N 2.477 123.814 121.223 0.189 0.000 2.533 484 L HA 0.141 4.373 4.340 -0.181 0.000 0.239 484 L C 0.499 177.503 176.870 0.224 0.000 1.376 484 L CA -0.715 54.235 54.840 0.182 0.000 1.240 484 L CB -1.184 40.911 42.059 0.059 0.000 1.487 484 L HN 0.303 nan 8.230 nan 0.000 0.419 485 N N -0.198 118.615 118.700 0.188 0.000 2.326 485 N HA 0.128 4.760 4.740 -0.181 0.000 0.239 485 N C 1.228 176.627 175.510 -0.184 0.000 1.301 485 N CA 0.286 53.356 53.050 0.034 0.000 0.909 485 N CB 0.803 39.292 38.487 0.003 0.000 1.156 485 N HN 0.176 nan 8.380 nan 0.000 0.462 486 A N -0.081 122.311 122.820 -0.714 0.000 1.972 486 A HA -0.192 4.019 4.320 -0.181 0.000 0.219 486 A C 1.481 178.893 177.584 -0.286 0.000 1.169 486 A CA 1.576 53.086 52.037 -0.878 0.000 0.635 486 A CB -0.709 17.602 19.000 -1.148 0.000 0.810 486 A HN 0.784 nan 8.150 nan 0.000 0.446 487 D N -1.223 119.081 120.400 -0.160 0.000 2.144 487 D HA -0.097 4.435 4.640 -0.181 0.000 0.200 487 D C 1.568 177.913 176.300 0.076 0.000 0.978 487 D CA 1.018 54.996 54.000 -0.037 0.000 0.833 487 D CB -0.346 40.439 40.800 -0.026 0.000 0.961 487 D HN 0.428 nan 8.370 nan 0.000 0.470 488 F N 1.370 121.263 119.950 -0.095 0.000 2.118 488 F HA 0.023 4.442 4.527 -0.180 0.000 0.293 488 F C 2.117 177.879 175.800 -0.064 0.000 1.102 488 F CA 0.609 58.567 58.000 -0.069 0.000 1.247 488 F CB -0.844 38.118 39.000 -0.063 0.000 1.017 488 F HN -0.125 nan 8.300 nan 0.000 0.475 489 L N 0.455 121.583 121.223 -0.158 0.000 2.051 489 L HA -0.289 3.943 4.340 -0.181 0.000 0.214 489 L C 2.720 179.477 176.870 -0.188 0.000 1.076 489 L CA 2.022 56.715 54.840 -0.245 0.000 0.758 489 L CB -0.480 41.571 42.059 -0.014 0.000 0.890 489 L HN 0.200 nan 8.230 nan 0.000 0.433 490 R N -0.595 119.848 120.500 -0.094 0.000 2.148 490 R HA -0.204 4.028 4.340 -0.181 0.000 0.227 490 R C 2.263 178.522 176.300 -0.067 0.000 1.103 490 R CA 1.309 57.362 56.100 -0.078 0.000 0.983 490 R CB -0.111 30.183 30.300 -0.009 0.000 0.874 490 R HN 0.470 nan 8.270 nan 0.000 0.451 491 Q N 0.572 120.362 119.800 -0.017 0.000 2.020 491 Q HA -0.139 4.092 4.340 -0.181 0.000 0.198 491 Q C 2.131 178.140 176.000 0.014 0.000 0.974 491 Q CA 1.498 57.329 55.803 0.047 0.000 0.829 491 Q CB -0.043 28.797 28.738 0.171 0.000 0.894 491 Q HN 0.426 nan 8.270 nan 0.000 0.433 492 L N 0.858 122.017 121.223 -0.108 0.000 2.042 492 L HA -0.241 3.991 4.340 -0.181 0.000 0.210 492 L C 2.582 179.472 176.870 0.033 0.000 1.076 492 L CA 1.080 55.876 54.840 -0.073 0.000 0.749 492 L CB -0.519 41.262 42.059 -0.464 0.000 0.893 492 L HN 0.096 nan 8.230 nan 0.000 0.432 493 K N 0.466 120.744 120.400 -0.203 0.000 2.026 493 K HA -0.135 4.077 4.320 -0.181 0.000 0.208 493 K C 2.146 178.551 176.600 -0.325 0.000 1.048 493 K CA 1.337 57.353 56.287 -0.451 0.000 0.929 493 K CB -0.435 31.375 32.500 -1.150 0.000 0.713 493 K HN 0.255 nan 8.250 nan 0.000 0.439 494 R N 0.904 121.312 120.500 -0.153 0.000 2.241 494 R HA -0.041 4.191 4.340 -0.181 0.000 0.224 494 R C 1.543 177.880 176.300 0.063 0.000 1.101 494 R CA 0.814 56.937 56.100 0.037 0.000 0.995 494 R CB 0.116 30.464 30.300 0.080 0.000 0.870 494 R HN -0.009 nan 8.270 nan 0.000 0.463 495 K N -1.053 119.385 120.400 0.063 0.000 2.404 495 K HA 0.153 4.364 4.320 -0.181 0.000 0.194 495 K C 1.040 177.603 176.600 -0.062 0.000 1.023 495 K CA 0.812 57.126 56.287 0.045 0.000 1.094 495 K CB 1.008 33.593 32.500 0.143 0.000 0.841 495 K HN 0.355 nan 8.250 nan 0.000 0.523 496 G N 1.067 109.853 108.800 -0.023 0.000 2.176 496 G HA2 -0.242 3.609 3.960 -0.181 0.000 0.232 496 G HA3 -0.242 3.609 3.960 -0.181 0.000 0.232 496 G C 0.003 174.860 174.900 -0.072 0.000 0.986 496 G CA -0.501 44.573 45.100 -0.043 0.000 0.643 496 G HN 0.178 nan 8.290 nan 0.000 0.522 497 F N 1.938 121.877 119.950 -0.018 0.000 2.607 497 F HA 0.469 4.888 4.527 -0.181 0.000 0.374 497 F C 1.151 176.930 175.800 -0.035 0.000 1.104 497 F CA 0.706 58.694 58.000 -0.021 0.000 1.296 497 F CB 0.761 39.724 39.000 -0.061 0.000 1.085 497 F HN 0.370 nan 8.300 nan 0.000 0.584 498 A N 3.135 126.075 122.820 0.200 0.000 2.304 498 A HA 0.298 4.510 4.320 -0.181 0.000 0.301 498 A C 1.008 178.649 177.584 0.096 0.000 1.132 498 A CA -0.764 51.343 52.037 0.117 0.000 0.819 498 A CB 0.411 19.466 19.000 0.091 0.000 1.094 498 A HN 0.757 nan 8.150 nan 0.000 0.492 499 D N 1.805 122.238 120.400 0.055 0.000 2.126 499 D HA -0.219 4.313 4.640 -0.181 0.000 0.190 499 D C 2.155 178.469 176.300 0.024 0.000 1.001 499 D CA 2.340 56.354 54.000 0.023 0.000 0.841 499 D CB -0.408 40.406 40.800 0.022 0.000 0.949 499 D HN 0.675 nan 8.370 nan 0.000 0.446 500 A N 0.326 123.168 122.820 0.036 0.000 2.024 500 A HA -0.202 4.010 4.320 -0.181 0.000 0.220 500 A C 2.167 179.778 177.584 0.046 0.000 1.164 500 A CA 1.894 53.951 52.037 0.032 0.000 0.643 500 A CB -0.387 18.632 19.000 0.031 0.000 0.806 500 A HN 0.102 nan 8.150 nan 0.000 0.451 501 R N -0.137 120.411 120.500 0.081 0.000 2.062 501 R HA 0.119 4.351 4.340 -0.181 0.000 0.226 501 R C 1.869 178.214 176.300 0.074 0.000 1.125 501 R CA 1.270 57.443 56.100 0.122 0.000 0.966 501 R CB -0.615 29.828 30.300 0.238 0.000 0.861 501 R HN 0.479 nan 8.270 nan 0.000 0.433 502 L N 0.140 121.378 121.223 0.026 0.000 2.083 502 L HA -0.058 4.173 4.340 -0.181 0.000 0.209 502 L C 2.523 179.365 176.870 -0.046 0.000 1.083 502 L CA 1.227 56.023 54.840 -0.074 0.000 0.752 502 L CB -0.757 41.219 42.059 -0.137 0.000 0.899 502 L HN 0.304 nan 8.230 nan 0.000 0.433 503 A N 0.693 123.502 122.820 -0.019 0.000 1.865 503 A HA -0.256 3.955 4.320 -0.181 0.000 0.217 503 A C 2.360 179.941 177.584 -0.005 0.000 1.191 503 A CA 2.003 54.032 52.037 -0.013 0.000 0.623 503 A CB -0.469 18.528 19.000 -0.005 0.000 0.826 503 A HN 0.328 nan 8.150 nan 0.000 0.444 504 K N -0.530 119.875 120.400 0.009 0.000 2.074 504 K HA -0.138 4.074 4.320 -0.181 0.000 0.209 504 K C 1.898 178.505 176.600 0.012 0.000 1.048 504 K CA 1.634 57.929 56.287 0.015 0.000 0.926 504 K CB -0.482 32.036 32.500 0.029 0.000 0.713 504 K HN 0.489 nan 8.250 nan 0.000 0.444 505 L N 0.152 121.381 121.223 0.009 0.000 2.083 505 L HA -0.149 4.082 4.340 -0.181 0.000 0.209 505 L C 2.302 179.170 176.870 -0.003 0.000 1.083 505 L CA 1.164 56.007 54.840 0.004 0.000 0.752 505 L CB -0.336 41.711 42.059 -0.020 0.000 0.899 505 L HN 0.186 nan 8.230 nan 0.000 0.433 506 A N -0.554 122.258 122.820 -0.013 0.000 2.275 506 A HA 0.339 4.551 4.320 -0.181 0.000 0.212 506 A C 1.535 179.117 177.584 -0.003 0.000 1.201 506 A CA 0.518 52.550 52.037 -0.009 0.000 0.843 506 A CB -0.395 18.593 19.000 -0.021 0.000 0.873 506 A HN 0.455 nan 8.150 nan 0.000 0.492 507 G N -0.325 108.474 108.800 -0.002 0.000 2.314 507 G HA2 -0.005 3.847 3.960 -0.181 0.000 0.292 507 G HA3 -0.005 3.847 3.960 -0.181 0.000 0.292 507 G C 0.163 175.061 174.900 -0.004 0.000 1.059 507 G CA 0.813 45.913 45.100 -0.000 0.000 0.982 507 G HN 1.865 nan 8.290 nan 0.000 0.505 508 V N -4.019 115.891 119.914 -0.007 0.000 3.141 508 V HA 0.906 4.918 4.120 -0.181 0.000 0.312 508 V C 0.444 176.532 176.094 -0.010 0.000 1.157 508 V CA -1.998 60.296 62.300 -0.010 0.000 1.041 508 V CB 1.525 33.338 31.823 -0.016 0.000 1.071 508 V HN 0.386 nan 8.190 nan 0.000 0.441 509 R N 0.640 121.133 120.500 -0.011 0.000 2.594 509 R HA 0.260 4.492 4.340 -0.181 0.000 0.272 509 R C 1.447 177.740 176.300 -0.011 0.000 1.074 509 R CA 0.505 56.599 56.100 -0.009 0.000 1.105 509 R CB 0.590 30.884 30.300 -0.010 0.000 1.008 509 R HN 0.990 nan 8.270 nan 0.000 0.472 510 E N 2.309 122.505 120.200 -0.006 0.000 2.171 510 E HA -0.278 3.964 4.350 -0.181 0.000 0.197 510 E C 1.392 177.988 176.600 -0.007 0.000 0.997 510 E CA 1.622 58.020 56.400 -0.003 0.000 0.810 510 E CB 0.054 29.756 29.700 0.004 0.000 0.738 510 E HN 0.732 nan 8.360 nan 0.000 0.467 511 A N 0.921 123.736 122.820 -0.008 0.000 1.972 511 A HA -0.210 4.002 4.320 -0.181 0.000 0.219 511 A C 1.910 179.481 177.584 -0.022 0.000 1.169 511 A CA 1.525 53.556 52.037 -0.010 0.000 0.635 511 A CB -0.444 18.551 19.000 -0.008 0.000 0.810 511 A HN 0.351 nan 8.150 nan 0.000 0.446 512 E N -0.361 119.824 120.200 -0.026 0.000 2.085 512 E HA -0.171 4.070 4.350 -0.181 0.000 0.194 512 E C 1.798 178.365 176.600 -0.056 0.000 0.994 512 E CA 1.180 57.557 56.400 -0.038 0.000 0.801 512 E CB -0.171 29.510 29.700 -0.033 0.000 0.743 512 E HN 0.560 nan 8.360 nan 0.000 0.453 513 I N 0.572 121.112 120.570 -0.048 0.000 2.315 513 I HA -0.208 3.854 4.170 -0.181 0.000 0.248 513 I C 2.473 178.551 176.117 -0.065 0.000 1.117 513 I CA 1.162 62.426 61.300 -0.061 0.000 1.404 513 I CB -0.844 37.128 38.000 -0.047 0.000 1.071 513 I HN 0.091 nan 8.210 nan 0.000 0.419 514 R N 1.320 121.797 120.500 -0.038 0.000 2.081 514 R HA -0.173 4.058 4.340 -0.181 0.000 0.235 514 R C 2.302 178.576 176.300 -0.044 0.000 1.131 514 R CA 1.468 57.554 56.100 -0.023 0.000 0.960 514 R CB 0.014 30.318 30.300 0.006 0.000 0.856 514 R HN 0.206 nan 8.270 nan 0.000 0.436 515 K N 0.101 120.468 120.400 -0.055 0.000 2.057 515 K HA -0.155 4.057 4.320 -0.181 0.000 0.207 515 K C 1.978 178.493 176.600 -0.143 0.000 1.049 515 K CA 1.215 57.461 56.287 -0.069 0.000 0.931 515 K CB -0.229 32.233 32.500 -0.064 0.000 0.714 515 K HN 0.073 nan 8.250 nan 0.000 0.440 516 L N 1.660 122.768 121.223 -0.191 0.000 2.079 516 L HA -0.204 4.028 4.340 -0.181 0.000 0.210 516 L C 1.986 178.581 176.870 -0.458 0.000 1.081 516 L CA 1.705 56.324 54.840 -0.367 0.000 0.752 516 L CB -0.292 41.595 42.059 -0.286 0.000 0.896 516 L HN 0.080 nan 8.230 nan 0.000 0.433 517 R N -0.797 119.561 120.500 -0.237 0.000 2.073 517 R HA -0.117 4.115 4.340 -0.181 0.000 0.229 517 R C 1.917 178.083 176.300 -0.223 0.000 1.120 517 R CA 1.303 57.291 56.100 -0.186 0.000 0.967 517 R CB -0.420 29.794 30.300 -0.143 0.000 0.862 517 R HN 0.420 nan 8.270 nan 0.000 0.436 518 D N 0.573 120.883 120.400 -0.149 0.000 2.182 518 D HA -0.169 4.363 4.640 -0.181 0.000 0.201 518 D C 1.826 178.125 176.300 -0.001 0.000 0.986 518 D CA 1.240 55.236 54.000 -0.007 0.000 0.847 518 D CB 0.087 40.924 40.800 0.061 0.000 0.942 518 D HN 0.271 nan 8.370 nan 0.000 0.467 519 Q N -0.794 118.937 119.800 -0.115 0.000 2.020 519 Q HA -0.128 4.104 4.340 -0.181 0.000 0.198 519 Q C 1.486 177.497 176.000 0.019 0.000 0.974 519 Q CA 0.921 56.658 55.803 -0.110 0.000 0.829 519 Q CB -0.012 28.537 28.738 -0.315 0.000 0.894 519 Q HN 0.324 nan 8.270 nan 0.000 0.433 520 Y N 0.747 121.038 120.300 -0.015 0.000 2.632 520 Y HA -0.023 4.419 4.550 -0.181 0.000 0.301 520 Y C 0.253 176.151 175.900 -0.003 0.000 1.172 520 Y CA 0.676 58.770 58.100 -0.010 0.000 1.328 520 Y CB -0.461 37.984 38.460 -0.025 0.000 1.016 520 Y HN 0.215 nan 8.280 nan 0.000 0.529 521 D N -0.303 120.174 120.400 0.128 0.000 2.723 521 D HA -0.207 4.324 4.640 -0.181 0.000 0.236 521 D C -0.799 175.543 176.300 0.069 0.000 1.138 521 D CA 0.211 54.291 54.000 0.133 0.000 0.676 521 D CB -1.253 39.648 40.800 0.169 0.000 1.069 521 D HN 0.164 nan 8.370 nan 0.000 0.430 522 L N 2.764 123.920 121.223 -0.113 0.000 2.288 522 L HA 0.426 4.658 4.340 -0.181 0.000 0.283 522 L C -0.754 175.964 176.870 -0.252 0.000 1.072 522 L CA -0.193 54.622 54.840 -0.041 0.000 0.862 522 L CB 0.526 42.629 42.059 0.072 0.000 1.245 522 L HN 0.151 nan 8.230 nan 0.000 0.432 523 H N 4.448 123.637 119.070 0.199 0.000 2.895 523 H HA 0.565 5.012 4.556 -0.181 0.000 0.373 523 H C -2.528 172.580 175.328 -0.366 0.000 1.174 523 H CA -1.626 54.449 56.048 0.045 0.000 1.144 523 H CB 1.924 31.693 29.762 0.013 0.000 1.793 523 H HN 0.349 nan 8.280 nan 0.000 0.551 524 P HA 0.126 nan 4.420 nan 0.000 0.275 524 P C -0.269 176.670 177.300 -0.602 0.000 1.266 524 P CA -0.446 61.935 63.100 -1.199 0.000 0.793 524 P CB 1.006 32.079 31.700 -1.045 0.000 1.074 525 V N -2.706 116.858 119.914 -0.583 0.000 3.046 525 V HA 0.602 4.614 4.120 -0.181 0.000 0.316 525 V C -1.339 174.448 176.094 -0.512 0.000 1.104 525 V CA -0.994 61.099 62.300 -0.345 0.000 1.006 525 V CB 1.512 33.236 31.823 -0.164 0.000 1.058 525 V HN 0.321 nan 8.190 nan 0.000 0.440 526 Y N 1.720 121.949 120.300 -0.119 0.000 2.335 526 Y HA 0.736 5.177 4.550 -0.181 0.000 0.338 526 Y C 0.366 176.107 175.900 -0.265 0.000 0.977 526 Y CA -0.744 57.255 58.100 -0.169 0.000 1.114 526 Y CB 1.883 40.334 38.460 -0.015 0.000 1.182 526 Y HN 0.529 nan 8.280 nan 0.000 0.463 527 K N 3.171 123.307 120.400 -0.440 0.000 2.185 527 K HA 0.607 4.819 4.320 -0.181 0.000 0.240 527 K C -0.378 175.964 176.600 -0.431 0.000 0.983 527 K CA -0.946 55.075 56.287 -0.443 0.000 0.873 527 K CB 1.948 34.157 32.500 -0.485 0.000 1.118 527 K HN 0.705 nan 8.250 nan 0.000 0.441 528 R N -0.064 120.354 120.500 -0.137 0.000 2.828 528 R HA 0.526 4.758 4.340 -0.181 0.000 0.264 528 R C -0.450 175.906 176.300 0.093 0.000 1.022 528 R CA -1.058 55.025 56.100 -0.027 0.000 1.021 528 R CB 1.395 31.692 30.300 -0.004 0.000 1.163 528 R HN 0.189 nan 8.270 nan 0.000 0.494 529 V N 1.791 121.687 119.914 -0.031 0.000 2.465 529 V HA 0.107 4.119 4.120 -0.181 0.000 0.279 529 V C -0.091 176.021 176.094 0.030 0.000 1.045 529 V CA 0.136 62.391 62.300 -0.075 0.000 0.938 529 V CB 1.362 32.782 31.823 -0.672 0.000 0.986 529 V HN 0.999 nan 8.190 nan 0.000 0.467 530 D N 0.645 121.117 120.400 0.121 0.000 2.480 530 D HA 0.041 4.573 4.640 -0.181 0.000 0.276 530 D C 0.935 177.339 176.300 0.173 0.000 1.294 530 D CA 0.790 54.858 54.000 0.114 0.000 0.829 530 D CB 0.159 41.028 40.800 0.115 0.000 1.242 530 D HN 0.772 nan 8.370 nan 0.000 0.513 531 T N -1.893 112.792 114.554 0.218 0.000 8.466 531 T HA -0.355 3.887 4.350 -0.181 0.000 0.319 531 T C 1.015 175.922 174.700 0.344 0.000 2.022 531 T CA 1.437 63.724 62.100 0.312 0.000 3.147 531 T CB -2.876 66.281 68.868 0.481 0.000 2.153 531 T HN 0.977 nan 8.240 nan 0.000 1.109 532 C N 0.565 120.023 119.300 0.263 0.000 3.101 532 C HA 0.892 5.244 4.460 -0.181 0.000 0.253 532 C C 1.667 176.743 174.990 0.144 0.000 1.754 532 C CA -0.292 58.890 59.018 0.274 0.000 1.756 532 C CB -0.515 27.464 27.740 0.399 0.000 3.227 532 C HN 2.204 nan 8.230 nan 0.000 0.483 533 A N 0.117 122.989 122.820 0.087 0.000 2.783 533 A HA 0.225 4.437 4.320 -0.181 0.000 0.292 533 A C 1.656 179.255 177.584 0.024 0.000 1.495 533 A CA 1.751 53.807 52.037 0.032 0.000 0.787 533 A CB -1.815 17.179 19.000 -0.009 0.000 1.017 533 A HN 2.863 nan 8.150 nan 0.000 0.516 534 A N -2.416 120.432 122.820 0.046 0.000 3.383 534 A HA -0.309 3.902 4.320 -0.181 0.000 0.264 534 A C 1.176 178.711 177.584 -0.082 0.000 1.154 534 A CA 2.160 54.203 52.037 0.010 0.000 1.179 534 A CB -2.281 16.726 19.000 0.011 0.000 1.133 534 A HN 1.865 nan 8.150 nan 0.000 0.933 535 E N -1.562 118.544 120.200 -0.156 0.000 2.265 535 E HA 0.066 4.307 4.350 -0.181 0.000 0.196 535 E C 0.046 176.118 176.600 -0.880 0.000 0.996 535 E CA 0.992 57.095 56.400 -0.495 0.000 0.832 535 E CB -0.019 29.335 29.700 -0.576 0.000 0.756 535 E HN 0.761 nan 8.360 nan 0.000 0.491 536 F N -0.764 119.173 119.950 -0.021 0.000 2.599 536 F HA 0.528 4.946 4.527 -0.181 0.000 0.311 536 F C -0.035 175.750 175.800 -0.026 0.000 1.076 536 F CA -1.122 56.857 58.000 -0.035 0.000 0.937 536 F CB 1.390 40.349 39.000 -0.069 0.000 1.282 536 F HN -0.214 nan 8.300 nan 0.000 0.460 537 A N 1.066 123.990 122.820 0.173 0.000 2.371 537 A HA 0.593 4.804 4.320 -0.181 0.000 0.257 537 A C -0.095 177.529 177.584 0.068 0.000 1.089 537 A CA -0.105 51.984 52.037 0.086 0.000 0.794 537 A CB 0.659 19.693 19.000 0.056 0.000 1.029 537 A HN 0.725 nan 8.150 nan 0.000 0.488 538 T N -0.380 114.197 114.554 0.039 0.000 2.908 538 T HA 0.469 4.711 4.350 -0.181 0.000 0.290 538 T C -0.350 174.351 174.700 0.002 0.000 1.034 538 T CA -0.554 61.554 62.100 0.013 0.000 1.010 538 T CB 1.074 69.948 68.868 0.011 0.000 1.068 538 T HN 0.552 nan 8.240 nan 0.000 0.481 539 D N 1.740 122.132 120.400 -0.013 0.000 2.433 539 D HA 0.180 4.711 4.640 -0.181 0.000 0.211 539 D C 0.194 176.486 176.300 -0.013 0.000 1.114 539 D CA 0.175 54.169 54.000 -0.010 0.000 0.837 539 D CB 0.765 41.560 40.800 -0.009 0.000 0.984 539 D HN 0.443 nan 8.370 nan 0.000 0.505 540 T N 0.598 115.137 114.554 -0.025 0.000 2.909 540 T HA 0.491 4.732 4.350 -0.181 0.000 0.289 540 T C 0.357 175.059 174.700 0.004 0.000 1.005 540 T CA -0.387 61.698 62.100 -0.024 0.000 1.084 540 T CB 1.931 70.740 68.868 -0.098 0.000 0.975 540 T HN -0.053 nan 8.240 nan 0.000 0.509 541 A N 3.106 125.936 122.820 0.017 0.000 3.158 541 A HA 0.377 4.589 4.320 -0.181 0.000 0.319 541 A C -0.796 176.809 177.584 0.034 0.000 1.204 541 A CA -0.438 51.593 52.037 -0.010 0.000 0.992 541 A CB -0.298 18.669 19.000 -0.055 0.000 1.110 541 A HN 0.709 nan 8.150 nan 0.000 0.519 542 Y N 2.710 122.977 120.300 -0.054 0.000 2.491 542 Y HA 0.680 5.121 4.550 -0.181 0.000 0.334 542 Y C -0.458 175.450 175.900 0.013 0.000 0.969 542 Y CA -1.764 56.345 58.100 0.015 0.000 1.241 542 Y CB 0.360 38.867 38.460 0.079 0.000 1.105 542 Y HN 0.569 nan 8.280 nan 0.000 0.503 543 M N 6.464 126.193 119.600 0.216 0.000 2.716 543 M HA 0.572 4.944 4.480 -0.181 0.000 0.307 543 M C -1.545 174.951 176.300 0.328 0.000 1.223 543 M CA -1.182 54.178 55.300 0.100 0.000 0.871 543 M CB 2.831 35.369 32.600 -0.103 0.000 1.739 543 M HN 0.432 nan 8.290 nan 0.000 0.475 544 Y N -1.620 118.809 120.300 0.215 0.000 2.562 544 Y HA 0.819 5.260 4.550 -0.181 0.000 0.345 544 Y C -0.560 175.463 175.900 0.205 0.000 1.045 544 Y CA -1.358 56.886 58.100 0.239 0.000 1.028 544 Y CB 0.935 39.411 38.460 0.026 0.000 1.297 544 Y HN 0.766 nan 8.280 nan 0.000 0.463 545 S N 1.340 117.156 115.700 0.193 0.000 2.610 545 S HA 0.781 5.143 4.470 -0.181 0.000 0.273 545 S C -0.332 174.222 174.600 -0.077 0.000 1.274 545 S CA 0.065 58.097 58.200 -0.280 0.000 1.023 545 S CB 1.668 64.667 63.200 -0.334 0.000 0.962 545 S HN 1.112 nan 8.310 nan 0.000 0.523 546 T N 0.613 115.021 114.554 -0.244 0.000 2.749 546 T HA 0.425 4.667 4.350 -0.181 0.000 0.310 546 T C -2.179 172.401 174.700 -0.200 0.000 1.496 546 T CA -0.591 61.492 62.100 -0.028 0.000 1.006 546 T CB 0.703 69.635 68.868 0.107 0.000 1.457 546 T HN 0.604 nan 8.240 nan 0.000 0.497 547 Y N 1.868 122.167 120.300 -0.001 0.000 2.958 547 Y HA 0.541 4.983 4.550 -0.181 0.000 0.336 547 Y C 0.673 176.583 175.900 0.017 0.000 1.160 547 Y CA -0.387 57.715 58.100 0.003 0.000 1.292 547 Y CB 0.787 39.258 38.460 0.019 0.000 1.306 547 Y HN 0.607 nan 8.280 nan 0.000 0.547 548 E N -0.132 120.088 120.200 0.034 0.000 2.573 548 E HA 0.321 4.562 4.350 -0.181 0.000 0.218 548 E C 0.594 177.209 176.600 0.024 0.000 0.777 548 E CA -0.380 56.047 56.400 0.046 0.000 0.970 548 E CB 1.039 30.764 29.700 0.041 0.000 1.666 548 E HN 0.250 nan 8.360 nan 0.000 0.384 549 E N 0.414 120.628 120.200 0.023 0.000 2.083 549 E HA 0.024 4.265 4.350 -0.181 0.000 0.193 549 E C -0.146 176.461 176.600 0.011 0.000 0.950 549 E CA 0.394 56.807 56.400 0.022 0.000 0.849 549 E CB 0.015 29.731 29.700 0.027 0.000 0.827 549 E HN 0.391 nan 8.360 nan 0.000 0.465 550 E N 0.803 121.007 120.200 0.008 0.000 2.289 550 E HA 0.110 4.351 4.350 -0.181 0.000 0.278 550 E C -1.024 175.574 176.600 -0.002 0.000 1.032 550 E CA -0.217 56.187 56.400 0.006 0.000 0.854 550 E CB 0.974 30.679 29.700 0.008 0.000 1.046 550 E HN 0.046 nan 8.360 nan 0.000 0.409 551 C N 4.793 124.099 119.300 0.010 0.000 2.330 551 C HA 0.282 4.634 4.460 -0.181 0.000 0.344 551 C C 0.674 175.681 174.990 0.029 0.000 1.273 551 C CA -0.294 58.740 59.018 0.026 0.000 1.879 551 C CB -0.088 27.688 27.740 0.060 0.000 2.376 551 C HN 0.914 nan 8.230 nan 0.000 0.534 552 E N 3.191 123.410 120.200 0.031 0.000 2.501 552 E HA 0.113 4.354 4.350 -0.181 0.000 0.201 552 E C 1.626 178.239 176.600 0.021 0.000 1.016 552 E CA 0.319 56.728 56.400 0.016 0.000 0.920 552 E CB 0.381 30.075 29.700 -0.010 0.000 1.023 552 E HN 0.823 nan 8.360 nan 0.000 0.474 553 A N 2.351 125.206 122.820 0.059 0.000 1.851 553 A HA -0.235 3.977 4.320 -0.181 0.000 0.216 553 A C 0.900 178.484 177.584 0.000 0.000 1.195 553 A CA 1.090 53.142 52.037 0.024 0.000 0.622 553 A CB -0.398 18.632 19.000 0.050 0.000 0.831 553 A HN 0.316 nan 8.150 nan 0.000 0.444 554 N N -0.661 118.047 118.700 0.015 0.000 2.688 554 N HA -0.103 4.529 4.740 -0.181 0.000 0.258 554 N C -2.544 172.968 175.510 0.005 0.000 1.016 554 N CA 1.151 54.206 53.050 0.008 0.000 0.747 554 N CB -1.757 36.733 38.487 0.004 0.000 0.895 554 N HN 0.464 nan 8.380 nan 0.000 0.543 555 P HA 0.067 nan 4.420 nan 0.000 0.266 555 P C 0.229 177.535 177.300 0.009 0.000 1.195 555 P CA -0.023 63.084 63.100 0.011 0.000 0.768 555 P CB 0.509 32.216 31.700 0.011 0.000 0.838 556 S N 0.433 116.140 115.700 0.011 0.000 2.592 556 S HA 0.272 4.633 4.470 -0.181 0.000 0.271 556 S C 1.003 175.609 174.600 0.010 0.000 1.326 556 S CA 0.136 58.342 58.200 0.010 0.000 1.024 556 S CB 0.298 63.505 63.200 0.011 0.000 0.921 556 S HN 0.618 nan 8.310 nan 0.000 0.527 557 T N -2.239 112.319 114.554 0.007 0.000 2.985 557 T HA 0.163 4.404 4.350 -0.181 0.000 0.254 557 T C 0.812 175.516 174.700 0.006 0.000 1.021 557 T CA -0.003 62.101 62.100 0.006 0.000 0.957 557 T CB -0.196 68.675 68.868 0.004 0.000 1.047 557 T HN 0.487 nan 8.240 nan 0.000 0.511 558 D N 2.394 122.797 120.400 0.006 0.000 2.174 558 D HA -0.025 4.507 4.640 -0.181 0.000 0.215 558 D C 1.126 177.427 176.300 0.003 0.000 1.021 558 D CA 1.035 55.037 54.000 0.003 0.000 0.910 558 D CB 0.066 40.868 40.800 0.003 0.000 1.142 558 D HN 0.317 nan 8.370 nan 0.000 0.473 559 R N 1.112 121.617 120.500 0.008 0.000 2.637 559 R HA 0.227 4.458 4.340 -0.181 0.000 0.269 559 R C 0.175 176.497 176.300 0.036 0.000 1.089 559 R CA -0.207 55.900 56.100 0.012 0.000 1.177 559 R CB 0.242 30.555 30.300 0.021 0.000 1.091 559 R HN 0.336 nan 8.270 nan 0.000 0.540 560 E N 2.188 122.419 120.200 0.052 0.000 2.259 560 E HA 0.107 4.349 4.350 -0.181 0.000 0.281 560 E C -0.563 176.150 176.600 0.188 0.000 1.037 560 E CA 0.008 56.480 56.400 0.120 0.000 0.854 560 E CB 0.916 30.723 29.700 0.178 0.000 1.051 560 E HN 0.198 nan 8.360 nan 0.000 0.409 561 K N 2.854 123.329 120.400 0.126 0.000 2.164 561 K HA 0.507 4.719 4.320 -0.181 0.000 0.258 561 K C -0.422 176.200 176.600 0.036 0.000 0.951 561 K CA -0.684 55.660 56.287 0.095 0.000 0.844 561 K CB 1.628 34.159 32.500 0.052 0.000 1.099 561 K HN 0.318 nan 8.250 nan 0.000 0.435 562 I N 3.239 123.806 120.570 -0.005 0.000 2.418 562 I HA 0.289 4.350 4.170 -0.181 0.000 0.287 562 I C -0.549 175.524 176.117 -0.073 0.000 1.008 562 I CA -0.554 60.680 61.300 -0.110 0.000 1.104 562 I CB 1.622 39.454 38.000 -0.281 0.000 1.264 562 I HN 0.648 nan 8.210 nan 0.000 0.438 563 M N 6.138 125.691 119.600 -0.078 0.000 2.209 563 M HA 0.440 4.811 4.480 -0.181 0.000 0.355 563 M C -1.049 175.204 176.300 -0.078 0.000 1.171 563 M CA -0.573 54.691 55.300 -0.060 0.000 1.069 563 M CB 1.559 34.122 32.600 -0.061 0.000 1.622 563 M HN 0.263 nan 8.290 nan 0.000 0.459 564 V N 6.548 126.431 119.914 -0.052 0.000 2.378 564 V HA 0.368 4.379 4.120 -0.181 0.000 0.288 564 V C -0.276 175.803 176.094 -0.026 0.000 1.016 564 V CA -0.697 61.572 62.300 -0.052 0.000 0.840 564 V CB 1.356 33.160 31.823 -0.031 0.000 0.994 564 V HN 0.737 nan 8.190 nan 0.000 0.431 565 L N 5.043 126.249 121.223 -0.028 0.000 2.260 565 L HA 0.547 4.779 4.340 -0.181 0.000 0.289 565 L C 1.177 178.047 176.870 0.000 0.000 1.057 565 L CA -0.052 54.776 54.840 -0.020 0.000 0.811 565 L CB 0.960 43.001 42.059 -0.030 0.000 1.184 565 L HN 0.762 nan 8.230 nan 0.000 0.429 566 G N 1.804 110.598 108.800 -0.011 0.000 2.611 566 G HA2 0.308 4.160 3.960 -0.181 0.000 0.273 566 G HA3 0.308 4.160 3.960 -0.181 0.000 0.273 566 G C 0.859 175.746 174.900 -0.021 0.000 1.305 566 G CA 0.111 45.208 45.100 -0.004 0.000 1.010 566 G HN 0.768 nan 8.290 nan 0.000 0.509 567 G N -1.847 106.940 108.800 -0.022 0.000 3.126 567 G HA2 0.514 4.365 3.960 -0.181 0.000 0.224 567 G HA3 0.514 4.365 3.960 -0.181 0.000 0.224 567 G C 0.978 175.843 174.900 -0.057 0.000 1.142 567 G CA 0.858 45.925 45.100 -0.054 0.000 0.759 567 G HN 1.881 nan 8.290 nan 0.000 0.550 568 G N 0.620 109.384 108.800 -0.060 0.000 2.542 568 G HA2 -0.153 3.699 3.960 -0.181 0.000 0.235 568 G HA3 -0.153 3.699 3.960 -0.181 0.000 0.235 568 G C -2.608 172.262 174.900 -0.050 0.000 1.286 568 G CA -0.322 44.741 45.100 -0.062 0.000 0.904 568 G HN 0.341 nan 8.290 nan 0.000 0.577 569 P HA 0.242 nan 4.420 nan 0.000 0.271 569 P C -0.168 177.113 177.300 -0.032 0.000 1.216 569 P CA -0.061 63.017 63.100 -0.035 0.000 0.776 569 P CB 0.175 31.855 31.700 -0.034 0.000 0.881 570 N N 2.549 121.233 118.700 -0.028 0.000 2.508 570 N HA 0.387 5.018 4.740 -0.181 0.000 0.264 570 N C 0.098 175.593 175.510 -0.025 0.000 1.216 570 N CA -0.195 52.848 53.050 -0.011 0.000 0.943 570 N CB 0.409 38.899 38.487 0.004 0.000 1.113 570 N HN 0.331 nan 8.380 nan 0.000 0.447 571 R N 0.359 120.853 120.500 -0.010 0.000 2.795 571 R HA 0.478 4.709 4.340 -0.181 0.000 0.268 571 R C -0.935 175.369 176.300 0.006 0.000 1.041 571 R CA -0.839 55.254 56.100 -0.013 0.000 0.927 571 R CB 0.670 30.957 30.300 -0.021 0.000 1.235 571 R HN 0.403 nan 8.270 nan 0.000 0.463 572 I N 1.730 122.305 120.570 0.009 0.000 2.598 572 I HA 0.196 4.258 4.170 -0.181 0.000 0.284 572 I C 1.072 177.181 176.117 -0.014 0.000 1.140 572 I CA 1.645 62.949 61.300 0.007 0.000 1.420 572 I CB 0.579 38.590 38.000 0.018 0.000 1.387 572 I HN 0.966 nan 8.210 nan 0.000 0.553 573 G N 4.804 113.614 108.800 0.016 0.000 2.234 573 G HA2 -0.195 3.657 3.960 -0.181 0.000 0.235 573 G HA3 -0.195 3.657 3.960 -0.181 0.000 0.235 573 G C 0.253 175.248 174.900 0.158 0.000 0.997 573 G CA -0.435 44.693 45.100 0.047 0.000 0.623 573 G HN 0.531 nan 8.290 nan 0.000 0.514 574 Q N 0.952 120.828 119.800 0.126 0.000 3.075 574 Q HA 0.522 4.754 4.340 -0.181 0.000 0.318 574 Q C 0.689 176.828 176.000 0.233 0.000 0.907 574 Q CA 0.310 56.193 55.803 0.133 0.000 0.882 574 Q CB 0.869 29.556 28.738 -0.086 0.000 1.386 574 Q HN 0.552 nan 8.270 nan 0.000 0.408 575 G N 0.196 109.198 108.800 0.336 0.000 2.630 575 G HA2 0.324 4.175 3.960 -0.181 0.000 0.223 575 G HA3 0.324 4.175 3.960 -0.181 0.000 0.223 575 G C 0.719 175.722 174.900 0.172 0.000 1.434 575 G CA -0.540 44.664 45.100 0.174 0.000 1.057 575 G HN 0.454 nan 8.290 nan 0.000 0.570 576 I N -0.214 120.395 120.570 0.064 0.000 2.756 576 I HA -0.080 3.982 4.170 -0.181 0.000 0.262 576 I C 2.485 178.609 176.117 0.012 0.000 1.225 576 I CA 0.963 62.295 61.300 0.053 0.000 1.472 576 I CB 0.014 38.036 38.000 0.037 0.000 1.094 576 I HN 0.525 nan 8.210 nan 0.000 0.454 577 E N 0.469 120.596 120.200 -0.122 0.000 2.118 577 E HA -0.235 4.006 4.350 -0.181 0.000 0.195 577 E C 1.800 178.187 176.600 -0.355 0.000 0.992 577 E CA 1.705 57.908 56.400 -0.328 0.000 0.804 577 E CB -0.274 29.081 29.700 -0.575 0.000 0.741 577 E HN 0.481 nan 8.360 nan 0.000 0.458 578 F N 0.291 120.246 119.950 0.008 0.000 2.259 578 F HA -0.030 4.387 4.527 -0.184 0.000 0.298 578 F C 2.025 177.843 175.800 0.031 0.000 1.088 578 F CA 1.113 59.117 58.000 0.007 0.000 1.358 578 F CB -0.324 38.679 39.000 0.005 0.000 1.040 578 F HN -0.013 nan 8.300 nan 0.000 0.505 579 D N -1.035 119.483 120.400 0.197 0.000 2.144 579 D HA -0.250 4.282 4.640 -0.181 0.000 0.200 579 D C 2.138 178.489 176.300 0.084 0.000 0.978 579 D CA 0.846 54.921 54.000 0.125 0.000 0.833 579 D CB -0.209 40.646 40.800 0.092 0.000 0.961 579 D HN 0.298 nan 8.370 nan 0.000 0.470 580 Y N 0.523 120.777 120.300 -0.077 0.000 2.128 580 Y HA -0.315 4.127 4.550 -0.181 0.000 0.284 580 Y C 2.206 177.973 175.900 -0.220 0.000 1.154 580 Y CA 1.680 59.675 58.100 -0.175 0.000 1.149 580 Y CB -0.534 37.782 38.460 -0.240 0.000 0.976 580 Y HN 0.142 nan 8.280 nan 0.000 0.505 581 C N -0.540 118.755 119.300 -0.009 0.000 2.413 581 C HA -0.272 4.079 4.460 -0.181 0.000 0.278 581 C C 2.982 178.054 174.990 0.136 0.000 1.224 581 C CA 1.178 60.146 59.018 -0.083 0.000 1.732 581 C CB -1.683 25.883 27.740 -0.290 0.000 2.050 581 C HN 0.808 nan 8.230 nan 0.000 0.463 582 C N 0.350 119.774 119.300 0.206 0.000 2.391 582 C HA -0.133 4.218 4.460 -0.181 0.000 0.276 582 C C 2.739 177.813 174.990 0.140 0.000 1.217 582 C CA 1.353 60.512 59.018 0.234 0.000 1.766 582 C CB -1.468 26.361 27.740 0.148 0.000 2.046 582 C HN 0.567 nan 8.230 nan 0.000 0.475 583 V N -0.512 119.439 119.914 0.062 0.000 2.295 583 V HA -0.253 3.759 4.120 -0.181 0.000 0.246 583 V C 2.306 178.462 176.094 0.102 0.000 1.049 583 V CA 2.111 64.437 62.300 0.042 0.000 1.024 583 V CB -0.907 30.904 31.823 -0.020 0.000 0.648 583 V HN 0.659 nan 8.190 nan 0.000 0.447 584 H N -0.423 118.583 119.070 -0.106 0.000 2.387 584 H HA -0.175 4.274 4.556 -0.179 0.000 0.299 584 H C 2.327 177.676 175.328 0.035 0.000 1.099 584 H CA 1.197 57.196 56.048 -0.081 0.000 1.315 584 H CB 0.070 29.748 29.762 -0.139 0.000 1.380 584 H HN 0.485 nan 8.280 nan 0.000 0.513 585 A N 0.173 123.139 122.820 0.244 0.000 1.877 585 A HA -0.210 4.002 4.320 -0.181 0.000 0.216 585 A C 2.568 180.182 177.584 0.050 0.000 1.186 585 A CA 1.790 53.914 52.037 0.146 0.000 0.620 585 A CB -0.777 18.262 19.000 0.065 0.000 0.822 585 A HN 0.375 nan 8.150 nan 0.000 0.443 586 S N -0.339 115.393 115.700 0.054 0.000 2.344 586 S HA -0.129 4.233 4.470 -0.181 0.000 0.217 586 S C 1.994 176.610 174.600 0.028 0.000 1.033 586 S CA 1.509 59.727 58.200 0.030 0.000 1.017 586 S CB -0.596 62.622 63.200 0.030 0.000 0.941 586 S HN 0.471 nan 8.310 nan 0.000 0.430 587 L N 1.209 122.442 121.223 0.018 0.000 2.021 587 L HA -0.213 4.019 4.340 -0.181 0.000 0.215 587 L C 2.947 179.813 176.870 -0.007 0.000 1.074 587 L CA 1.618 56.453 54.840 -0.009 0.000 0.760 587 L CB -1.064 40.959 42.059 -0.060 0.000 0.889 587 L HN 0.470 nan 8.230 nan 0.000 0.433 588 A N 0.431 123.246 122.820 -0.008 0.000 1.841 588 A HA -0.189 4.023 4.320 -0.181 0.000 0.216 588 A C 2.208 179.826 177.584 0.057 0.000 1.199 588 A CA 1.663 53.705 52.037 0.009 0.000 0.621 588 A CB -0.935 18.074 19.000 0.015 0.000 0.835 588 A HN 0.369 nan 8.150 nan 0.000 0.445 589 L N -1.008 120.258 121.223 0.072 0.000 2.127 589 L HA -0.204 4.028 4.340 -0.181 0.000 0.211 589 L C 2.810 179.818 176.870 0.229 0.000 1.089 589 L CA 1.788 56.728 54.840 0.167 0.000 0.757 589 L CB -0.550 41.513 42.059 0.007 0.000 0.899 589 L HN 0.505 nan 8.230 nan 0.000 0.434 590 R N 0.726 121.298 120.500 0.119 0.000 2.066 590 R HA -0.222 4.010 4.340 -0.181 0.000 0.232 590 R C 2.237 178.575 176.300 0.064 0.000 1.131 590 R CA 1.747 57.903 56.100 0.093 0.000 0.955 590 R CB -0.065 30.268 30.300 0.057 0.000 0.851 590 R HN 0.280 nan 8.270 nan 0.000 0.432 591 E N 0.549 120.777 120.200 0.047 0.000 2.118 591 E HA -0.201 4.041 4.350 -0.181 0.000 0.195 591 E C 1.100 177.714 176.600 0.023 0.000 0.992 591 E CA 1.938 58.353 56.400 0.024 0.000 0.804 591 E CB -0.076 29.631 29.700 0.012 0.000 0.741 591 E HN 0.325 nan 8.360 nan 0.000 0.458 592 D N -1.364 119.070 120.400 0.057 0.000 2.312 592 D HA 0.050 4.582 4.640 -0.181 0.000 0.211 592 D C 1.111 177.379 176.300 -0.054 0.000 0.964 592 D CA 1.270 55.296 54.000 0.042 0.000 0.877 592 D CB 0.431 41.322 40.800 0.152 0.000 0.924 592 D HN 0.392 nan 8.370 nan 0.000 0.515 593 G N -1.130 107.650 108.800 -0.033 0.000 2.175 593 G HA2 -0.228 3.624 3.960 -0.181 0.000 0.182 593 G HA3 -0.228 3.624 3.960 -0.181 0.000 0.182 593 G C -0.137 174.681 174.900 -0.137 0.000 1.003 593 G CA -0.538 44.498 45.100 -0.107 0.000 0.666 593 G HN 0.226 nan 8.290 nan 0.000 0.506 594 Y N 0.819 121.116 120.300 -0.004 0.000 2.300 594 Y HA 0.511 4.953 4.550 -0.180 0.000 0.328 594 Y C 0.925 176.824 175.900 -0.002 0.000 1.270 594 Y CA -0.187 57.911 58.100 -0.004 0.000 1.352 594 Y CB 0.785 39.241 38.460 -0.008 0.000 1.286 594 Y HN 0.212 nan 8.280 nan 0.000 0.536 595 E N 1.613 121.924 120.200 0.185 0.000 2.105 595 E HA 0.171 4.412 4.350 -0.181 0.000 0.285 595 E C -0.851 175.810 176.600 0.102 0.000 1.055 595 E CA -0.561 55.902 56.400 0.105 0.000 0.843 595 E CB 0.433 30.177 29.700 0.073 0.000 1.067 595 E HN 0.644 nan 8.360 nan 0.000 0.398 596 T N 2.515 117.116 114.554 0.079 0.000 2.799 596 T HA 0.490 4.732 4.350 -0.181 0.000 0.286 596 T C 0.096 174.825 174.700 0.049 0.000 0.973 596 T CA -0.735 61.397 62.100 0.053 0.000 1.035 596 T CB 0.558 69.452 68.868 0.044 0.000 0.932 596 T HN 0.372 nan 8.240 nan 0.000 0.469 597 I N 3.691 124.290 120.570 0.048 0.000 2.420 597 I HA 0.348 4.410 4.170 -0.181 0.000 0.282 597 I C -0.207 175.956 176.117 0.077 0.000 1.019 597 I CA -0.840 60.511 61.300 0.084 0.000 1.130 597 I CB 1.677 39.746 38.000 0.115 0.000 1.262 597 I HN 0.617 nan 8.210 nan 0.000 0.454 598 M N 7.696 127.343 119.600 0.078 0.000 2.277 598 M HA 0.480 4.852 4.480 -0.181 0.000 0.350 598 M C -1.134 175.219 176.300 0.089 0.000 1.180 598 M CA -0.133 55.198 55.300 0.052 0.000 1.103 598 M CB 1.353 33.962 32.600 0.015 0.000 1.577 598 M HN 0.272 nan 8.290 nan 0.000 0.459 599 V N 5.431 125.368 119.914 0.039 0.000 2.305 599 V HA 0.572 4.584 4.120 -0.181 0.000 0.275 599 V C -0.725 175.342 176.094 -0.045 0.000 1.020 599 V CA -0.594 61.726 62.300 0.034 0.000 0.811 599 V CB 0.460 32.286 31.823 0.005 0.000 1.031 599 V HN 0.923 nan 8.190 nan 0.000 0.439 600 N N 2.517 121.138 118.700 -0.132 0.000 2.591 600 N HA 0.499 5.131 4.740 -0.181 0.000 0.263 600 N C -0.174 174.996 175.510 -0.567 0.000 1.308 600 N CA -0.426 52.475 53.050 -0.247 0.000 0.837 600 N CB 2.208 40.570 38.487 -0.207 0.000 1.548 600 N HN 0.557 nan 8.380 nan 0.000 0.493 601 C N 0.106 119.097 119.300 -0.515 0.000 2.969 601 C HA 0.526 4.878 4.460 -0.181 0.000 0.260 601 C C 0.164 174.932 174.990 -0.370 0.000 1.618 601 C CA -1.038 57.533 59.018 -0.745 0.000 1.774 601 C CB -1.764 25.871 27.740 -0.175 0.000 3.063 601 C HN 0.564 nan 8.230 nan 0.000 0.506 602 N N 2.932 121.447 118.700 -0.309 0.000 2.414 602 N HA 0.331 4.963 4.740 -0.181 0.000 0.256 602 N C -1.153 174.352 175.510 -0.008 0.000 1.029 602 N CA -2.169 50.826 53.050 -0.092 0.000 0.948 602 N CB 1.760 40.195 38.487 -0.086 0.000 1.102 602 N HN 0.218 nan 8.380 nan 0.000 0.496 603 P HA -0.054 nan 4.420 nan 0.000 0.222 603 P C 0.363 177.595 177.300 -0.114 0.000 1.153 603 P CA 1.122 64.306 63.100 0.140 0.000 0.798 603 P CB 0.557 32.324 31.700 0.112 0.000 0.796 604 E N -0.011 120.122 120.200 -0.112 0.000 2.152 604 E HA -0.044 4.198 4.350 -0.181 0.000 0.192 604 E C 1.051 177.551 176.600 -0.167 0.000 0.983 604 E CA 0.822 57.124 56.400 -0.162 0.000 0.818 604 E CB -0.407 29.230 29.700 -0.106 0.000 0.758 604 E HN 0.393 nan 8.360 nan 0.000 0.467 605 T N -2.012 112.467 114.554 -0.124 0.000 2.788 605 T HA 0.127 4.369 4.350 -0.181 0.000 0.287 605 T C 1.351 176.040 174.700 -0.018 0.000 1.007 605 T CA -0.722 61.351 62.100 -0.046 0.000 1.005 605 T CB 1.528 70.382 68.868 -0.023 0.000 1.012 605 T HN -0.207 nan 8.240 nan 0.000 0.530 606 V N 1.550 121.518 119.914 0.089 0.000 2.719 606 V HA -0.108 3.904 4.120 -0.181 0.000 0.252 606 V C 3.057 179.179 176.094 0.047 0.000 1.065 606 V CA 1.897 64.281 62.300 0.139 0.000 1.086 606 V CB -0.956 30.931 31.823 0.107 0.000 0.700 606 V HN 1.109 nan 8.190 nan 0.000 0.467 607 S N 1.064 116.768 115.700 0.007 0.000 2.400 607 S HA -0.201 4.161 4.470 -0.181 0.000 0.232 607 S C 1.771 176.335 174.600 -0.059 0.000 1.025 607 S CA 1.781 59.969 58.200 -0.021 0.000 0.993 607 S CB -0.804 62.383 63.200 -0.022 0.000 0.808 607 S HN 0.715 nan 8.310 nan 0.000 0.478 608 T N -1.293 113.209 114.554 -0.087 0.000 3.163 608 T HA 0.219 4.460 4.350 -0.181 0.000 0.252 608 T C 0.010 174.657 174.700 -0.089 0.000 1.056 608 T CA -0.355 61.687 62.100 -0.096 0.000 0.947 608 T CB -0.258 68.562 68.868 -0.080 0.000 1.016 608 T HN 0.277 nan 8.240 nan 0.000 0.554 609 D N 1.516 121.876 120.400 -0.068 0.000 2.312 609 D HA 0.077 4.609 4.640 -0.181 0.000 0.252 609 D C 1.062 177.260 176.300 -0.171 0.000 1.150 609 D CA -0.726 53.222 54.000 -0.086 0.000 0.870 609 D CB 0.854 41.678 40.800 0.040 0.000 1.153 609 D HN 0.442 nan 8.370 nan 0.000 0.457 610 Y N 1.988 122.228 120.300 -0.099 0.000 2.384 610 Y HA -0.098 4.344 4.550 -0.180 0.000 0.289 610 Y C 1.317 177.201 175.900 -0.026 0.000 1.152 610 Y CA 0.677 58.706 58.100 -0.118 0.000 1.258 610 Y CB -0.371 38.039 38.460 -0.082 0.000 0.979 610 Y HN 0.235 nan 8.280 nan 0.000 0.549 611 D N 0.206 120.539 120.400 -0.111 0.000 2.269 611 D HA -0.082 4.450 4.640 -0.181 0.000 0.208 611 D C 1.804 178.102 176.300 -0.003 0.000 0.963 611 D CA 1.467 55.457 54.000 -0.017 0.000 0.864 611 D CB -0.151 40.581 40.800 -0.114 0.000 0.936 611 D HN 0.470 nan 8.370 nan 0.000 0.505 612 T N -0.360 114.181 114.554 -0.021 0.000 2.951 612 T HA -0.028 4.214 4.350 -0.181 0.000 0.268 612 T C 1.173 175.881 174.700 0.013 0.000 1.073 612 T CA 0.793 62.890 62.100 -0.004 0.000 1.134 612 T CB 0.142 69.006 68.868 -0.006 0.000 0.884 612 T HN 0.214 nan 8.240 nan 0.000 0.479 613 S N -0.346 115.367 115.700 0.023 0.000 2.740 613 S HA 0.432 4.794 4.470 -0.181 0.000 0.300 613 S C 0.037 174.662 174.600 0.042 0.000 1.147 613 S CA -0.912 57.306 58.200 0.031 0.000 0.871 613 S CB 1.660 64.875 63.200 0.026 0.000 1.173 613 S HN -0.088 nan 8.310 nan 0.000 0.510 614 D N 0.568 120.992 120.400 0.039 0.000 2.120 614 D HA 0.116 4.648 4.640 -0.181 0.000 0.202 614 D C 0.230 176.544 176.300 0.023 0.000 0.972 614 D CA 1.117 55.139 54.000 0.036 0.000 0.837 614 D CB 0.098 40.920 40.800 0.037 0.000 0.989 614 D HN 0.451 nan 8.370 nan 0.000 0.469 615 R N 0.038 120.546 120.500 0.013 0.000 2.561 615 R HA 0.549 4.780 4.340 -0.181 0.000 0.297 615 R C -1.143 175.137 176.300 -0.034 0.000 0.969 615 R CA -0.752 55.325 56.100 -0.040 0.000 0.879 615 R CB 2.454 32.720 30.300 -0.056 0.000 1.178 615 R HN -0.079 nan 8.270 nan 0.000 0.445 616 L N 2.776 123.945 121.223 -0.090 0.000 2.349 616 L HA 0.454 4.686 4.340 -0.181 0.000 0.278 616 L C -1.700 175.134 176.870 -0.060 0.000 0.996 616 L CA -0.430 54.394 54.840 -0.028 0.000 0.825 616 L CB 1.149 43.183 42.059 -0.040 0.000 1.243 616 L HN 0.546 nan 8.230 nan 0.000 0.412 617 Y N 5.224 125.582 120.300 0.098 0.000 2.478 617 Y HA 0.322 4.763 4.550 -0.181 0.000 0.329 617 Y C -0.416 175.600 175.900 0.194 0.000 0.967 617 Y CA -0.216 57.977 58.100 0.156 0.000 1.255 617 Y CB 1.070 39.563 38.460 0.055 0.000 1.103 617 Y HN 0.538 nan 8.280 nan 0.000 0.497 618 F N 4.835 124.985 119.950 0.334 0.000 2.679 618 F HA 0.219 4.638 4.527 -0.181 0.000 0.351 618 F C 0.016 175.964 175.800 0.246 0.000 1.279 618 F CA -0.142 58.022 58.000 0.274 0.000 1.227 618 F CB -0.364 38.866 39.000 0.384 0.000 1.623 618 F HN 0.417 nan 8.300 nan 0.000 0.666 619 E N 3.546 123.886 120.200 0.234 0.000 2.392 619 E HA 0.376 4.618 4.350 -0.181 0.000 0.269 619 E C -2.707 173.947 176.600 0.090 0.000 0.924 619 E CA -2.379 54.154 56.400 0.221 0.000 0.784 619 E CB 1.304 31.150 29.700 0.243 0.000 1.292 619 E HN 0.056 nan 8.360 nan 0.000 0.447 620 P HA 0.036 nan 4.420 nan 0.000 0.267 620 P C 0.043 177.361 177.300 0.031 0.000 1.205 620 P CA -0.063 63.070 63.100 0.055 0.000 0.765 620 P CB 0.339 32.078 31.700 0.065 0.000 0.828 621 V N 3.880 123.793 119.914 -0.001 0.000 1.973 621 V HA 0.078 4.090 4.120 -0.181 0.000 0.255 621 V C 1.069 177.159 176.094 -0.007 0.000 1.605 621 V CA 0.270 62.562 62.300 -0.013 0.000 1.542 621 V CB -1.548 30.255 31.823 -0.033 0.000 1.504 621 V HN 0.645 nan 8.190 nan 0.000 0.505 622 T N -1.082 113.477 114.554 0.008 0.000 2.949 622 T HA 0.546 4.788 4.350 -0.181 0.000 0.287 622 T C 0.781 175.486 174.700 0.010 0.000 1.034 622 T CA -0.686 61.420 62.100 0.011 0.000 1.018 622 T CB 2.192 71.076 68.868 0.027 0.000 1.135 622 T HN 0.083 nan 8.240 nan 0.000 0.532 623 L N 0.836 122.063 121.223 0.008 0.000 1.994 623 L HA 0.017 4.248 4.340 -0.181 0.000 0.208 623 L C 2.680 179.563 176.870 0.021 0.000 1.071 623 L CA 2.425 57.269 54.840 0.007 0.000 0.745 623 L CB -0.985 41.077 42.059 0.005 0.000 0.892 623 L HN 1.017 nan 8.230 nan 0.000 0.431 624 E N -0.516 119.705 120.200 0.035 0.000 2.035 624 E HA -0.304 3.937 4.350 -0.181 0.000 0.204 624 E C 1.777 178.418 176.600 0.069 0.000 1.025 624 E CA 2.112 58.547 56.400 0.057 0.000 0.835 624 E CB -0.374 29.367 29.700 0.068 0.000 0.764 624 E HN 0.614 nan 8.360 nan 0.000 0.457 625 D N 0.105 120.547 120.400 0.070 0.000 2.149 625 D HA -0.148 4.384 4.640 -0.181 0.000 0.198 625 D C 2.197 178.526 176.300 0.048 0.000 0.990 625 D CA 1.288 55.338 54.000 0.084 0.000 0.839 625 D CB -0.076 40.780 40.800 0.093 0.000 0.948 625 D HN 0.176 nan 8.370 nan 0.000 0.460 626 V N 1.478 121.399 119.914 0.011 0.000 2.358 626 V HA -0.189 3.822 4.120 -0.181 0.000 0.246 626 V C 2.707 178.772 176.094 -0.047 0.000 1.047 626 V CA 0.930 63.208 62.300 -0.038 0.000 1.035 626 V CB -0.420 31.381 31.823 -0.038 0.000 0.658 626 V HN 0.173 nan 8.190 nan 0.000 0.452 627 L N -0.331 120.886 121.223 -0.010 0.000 2.042 627 L HA -0.193 4.039 4.340 -0.181 0.000 0.210 627 L C 2.765 179.635 176.870 0.001 0.000 1.076 627 L CA 1.484 56.322 54.840 -0.003 0.000 0.749 627 L CB -0.667 41.405 42.059 0.022 0.000 0.893 627 L HN 0.347 nan 8.230 nan 0.000 0.432 628 E N 0.122 120.349 120.200 0.045 0.000 2.110 628 E HA -0.193 4.048 4.350 -0.181 0.000 0.193 628 E C 2.218 178.840 176.600 0.035 0.000 0.988 628 E CA 1.313 57.767 56.400 0.089 0.000 0.804 628 E CB -0.175 29.625 29.700 0.167 0.000 0.745 628 E HN 0.544 nan 8.360 nan 0.000 0.458 629 I N 0.192 120.708 120.570 -0.090 0.000 2.406 629 I HA -0.186 3.875 4.170 -0.181 0.000 0.249 629 I C 2.330 178.284 176.117 -0.273 0.000 1.122 629 I CA 0.398 61.473 61.300 -0.375 0.000 1.431 629 I CB -0.066 37.523 38.000 -0.685 0.000 1.087 629 I HN -0.107 nan 8.210 nan 0.000 0.424 630 V N 0.726 120.537 119.914 -0.171 0.000 2.407 630 V HA -0.294 3.717 4.120 -0.181 0.000 0.248 630 V C 2.602 178.642 176.094 -0.089 0.000 1.055 630 V CA 1.748 63.977 62.300 -0.118 0.000 1.049 630 V CB -0.835 30.940 31.823 -0.080 0.000 0.662 630 V HN 0.397 nan 8.190 nan 0.000 0.455 631 R N 0.328 120.780 120.500 -0.080 0.000 2.096 631 R HA -0.208 4.024 4.340 -0.181 0.000 0.240 631 R C 2.214 178.468 176.300 -0.078 0.000 1.139 631 R CA 2.495 58.549 56.100 -0.077 0.000 0.952 631 R CB -0.259 29.984 30.300 -0.095 0.000 0.854 631 R HN 0.750 nan 8.270 nan 0.000 0.436 632 I N -3.025 117.498 120.570 -0.078 0.000 3.265 632 I HA 0.095 4.157 4.170 -0.181 0.000 0.282 632 I C 1.587 177.673 176.117 -0.051 0.000 1.207 632 I CA 0.411 61.678 61.300 -0.056 0.000 1.449 632 I CB -0.030 37.951 38.000 -0.032 0.000 1.121 632 I HN -0.094 nan 8.210 nan 0.000 0.442 633 E N 2.168 122.322 120.200 -0.076 0.000 2.076 633 E HA -0.059 4.182 4.350 -0.181 0.000 0.190 633 E C 0.280 176.861 176.600 -0.032 0.000 0.979 633 E CA 0.478 56.849 56.400 -0.049 0.000 0.807 633 E CB -0.066 29.587 29.700 -0.077 0.000 0.761 633 E HN 0.456 nan 8.360 nan 0.000 0.454 634 K N 0.915 121.289 120.400 -0.044 0.000 3.419 634 K HA -0.138 4.074 4.320 -0.181 0.000 0.272 634 K C -2.454 174.134 176.600 -0.020 0.000 0.973 634 K CA 0.202 56.470 56.287 -0.031 0.000 0.749 634 K CB -1.257 31.230 32.500 -0.022 0.000 1.403 634 K HN 0.214 nan 8.250 nan 0.000 0.456 635 P HA -0.073 nan 4.420 nan 0.000 0.271 635 P C 0.499 177.791 177.300 -0.012 0.000 1.233 635 P CA -0.127 62.963 63.100 -0.016 0.000 0.789 635 P CB 0.796 32.475 31.700 -0.034 0.000 0.951 636 K N -0.203 120.197 120.400 -0.000 0.000 2.116 636 K HA 0.072 4.284 4.320 -0.181 0.000 0.203 636 K C 0.824 177.408 176.600 -0.027 0.000 1.052 636 K CA 1.203 57.493 56.287 0.005 0.000 0.952 636 K CB -0.258 32.270 32.500 0.046 0.000 0.729 636 K HN 0.718 nan 8.250 nan 0.000 0.446 637 G N -0.605 108.160 108.800 -0.058 0.000 2.677 637 G HA2 0.476 4.327 3.960 -0.181 0.000 0.291 637 G HA3 0.476 4.327 3.960 -0.181 0.000 0.291 637 G C -1.915 172.928 174.900 -0.095 0.000 1.435 637 G CA -0.631 44.420 45.100 -0.082 0.000 0.826 637 G HN -0.055 nan 8.290 nan 0.000 0.491 638 V N 1.123 120.981 119.914 -0.094 0.000 2.525 638 V HA 0.414 4.426 4.120 -0.181 0.000 0.299 638 V C -0.392 175.635 176.094 -0.112 0.000 1.034 638 V CA -0.489 61.753 62.300 -0.096 0.000 0.863 638 V CB 1.593 33.372 31.823 -0.073 0.000 0.999 638 V HN 0.660 nan 8.190 nan 0.000 0.423 639 I N 5.426 125.911 120.570 -0.142 0.000 2.301 639 I HA 0.227 4.288 4.170 -0.181 0.000 0.292 639 I C 0.862 176.906 176.117 -0.122 0.000 1.046 639 I CA -0.084 61.107 61.300 -0.182 0.000 1.282 639 I CB 1.662 39.475 38.000 -0.312 0.000 1.409 639 I HN 0.616 nan 8.210 nan 0.000 0.484 640 V N 2.367 122.232 119.914 -0.081 0.000 3.427 640 V HA 0.184 4.196 4.120 -0.181 0.000 0.305 640 V C 0.955 177.057 176.094 0.014 0.000 1.412 640 V CA 0.199 62.479 62.300 -0.032 0.000 1.086 640 V CB 0.035 31.838 31.823 -0.033 0.000 0.964 640 V HN 0.769 nan 8.190 nan 0.000 0.439 641 Q N -0.937 118.890 119.800 0.045 0.000 2.319 641 Q HA 0.326 4.558 4.340 -0.181 0.000 0.202 641 Q C 1.139 177.368 176.000 0.382 0.000 0.896 641 Q CA 0.531 56.429 55.803 0.160 0.000 0.942 641 Q CB 0.068 28.896 28.738 0.150 0.000 1.083 641 Q HN 0.730 nan 8.270 nan 0.000 0.510 642 Y N -1.336 118.998 120.300 0.056 0.000 2.462 642 Y HA 0.363 4.805 4.550 -0.181 0.000 0.253 642 Y C 1.917 177.916 175.900 0.164 0.000 1.095 642 Y CA -0.058 58.113 58.100 0.119 0.000 1.283 642 Y CB 0.268 38.779 38.460 0.085 0.000 1.138 642 Y HN 0.114 nan 8.280 nan 0.000 0.522 643 G N -0.392 108.534 108.800 0.210 0.000 3.141 643 G HA2 0.413 4.265 3.960 -0.181 0.000 0.218 643 G HA3 0.413 4.265 3.960 -0.181 0.000 0.218 643 G C 0.868 175.683 174.900 -0.142 0.000 1.170 643 G CA 0.509 45.666 45.100 0.096 0.000 0.769 643 G HN 0.572 nan 8.290 nan 0.000 0.546 644 G N -0.182 108.432 108.800 -0.310 0.000 2.615 644 G HA2 -0.249 3.602 3.960 -0.181 0.000 0.218 644 G HA3 -0.249 3.602 3.960 -0.181 0.000 0.218 644 G C 0.709 175.386 174.900 -0.372 0.000 1.339 644 G CA 0.132 44.743 45.100 -0.815 0.000 0.884 644 G HN 0.088 nan 8.290 nan 0.000 0.559 645 Q N -0.494 119.090 119.800 -0.360 0.000 2.181 645 Q HA -0.078 4.154 4.340 -0.181 0.000 0.205 645 Q C 2.937 178.853 176.000 -0.140 0.000 0.980 645 Q CA 2.367 58.050 55.803 -0.200 0.000 0.862 645 Q CB -0.970 27.665 28.738 -0.171 0.000 0.905 645 Q HN 0.725 nan 8.270 nan 0.000 0.429 646 T N 1.769 116.235 114.554 -0.146 0.000 2.580 646 T HA -0.130 4.111 4.350 -0.181 0.000 0.265 646 T C -1.013 173.645 174.700 -0.071 0.000 1.063 646 T CA 1.960 64.003 62.100 -0.095 0.000 1.170 646 T CB -1.134 67.682 68.868 -0.086 0.000 0.863 646 T HN 0.267 nan 8.240 nan 0.000 0.418 647 P HA 0.041 nan 4.420 nan 0.000 0.217 647 P C 1.695 178.969 177.300 -0.042 0.000 1.151 647 P CA 0.582 63.655 63.100 -0.045 0.000 0.828 647 P CB -0.204 31.478 31.700 -0.030 0.000 0.788 648 L N 0.565 121.757 121.223 -0.052 0.000 1.971 648 L HA -0.168 4.064 4.340 -0.181 0.000 0.215 648 L C 2.239 179.084 176.870 -0.042 0.000 1.072 648 L CA 2.111 56.924 54.840 -0.044 0.000 0.758 648 L CB -1.158 40.867 42.059 -0.057 0.000 0.889 648 L HN -0.174 nan 8.230 nan 0.000 0.433 649 K N -0.948 119.422 120.400 -0.050 0.000 2.442 649 K HA -0.132 4.079 4.320 -0.181 0.000 0.199 649 K C 1.808 178.388 176.600 -0.033 0.000 1.044 649 K CA 0.925 57.187 56.287 -0.042 0.000 0.941 649 K CB -0.161 32.311 32.500 -0.047 0.000 0.759 649 K HN 0.375 nan 8.250 nan 0.000 0.472 650 L N -0.748 120.456 121.223 -0.033 0.000 2.463 650 L HA 0.086 4.317 4.340 -0.181 0.000 0.219 650 L C 2.344 179.199 176.870 -0.024 0.000 1.088 650 L CA 0.100 54.925 54.840 -0.027 0.000 0.849 650 L CB -0.288 41.755 42.059 -0.027 0.000 1.012 650 L HN 0.092 nan 8.230 nan 0.000 0.468 651 A N 0.925 123.729 122.820 -0.026 0.000 1.896 651 A HA -0.333 3.879 4.320 -0.181 0.000 0.220 651 A C 2.336 179.908 177.584 -0.020 0.000 1.206 651 A CA 2.353 54.376 52.037 -0.024 0.000 0.647 651 A CB -0.583 18.404 19.000 -0.023 0.000 0.828 651 A HN 0.299 nan 8.150 nan 0.000 0.455 652 R N -0.831 119.658 120.500 -0.018 0.000 2.097 652 R HA -0.138 4.094 4.340 -0.181 0.000 0.236 652 R C 2.490 178.781 176.300 -0.014 0.000 1.135 652 R CA 1.873 57.964 56.100 -0.015 0.000 0.934 652 R CB -0.578 29.713 30.300 -0.015 0.000 0.846 652 R HN 0.530 nan 8.270 nan 0.000 0.431 653 A N 0.427 123.239 122.820 -0.014 0.000 1.902 653 A HA -0.154 4.057 4.320 -0.181 0.000 0.217 653 A C 2.189 179.766 177.584 -0.012 0.000 1.181 653 A CA 1.343 53.374 52.037 -0.011 0.000 0.623 653 A CB -0.648 18.345 19.000 -0.010 0.000 0.818 653 A HN 0.292 nan 8.150 nan 0.000 0.443 654 L N -0.950 120.264 121.223 -0.015 0.000 1.989 654 L HA -0.240 3.992 4.340 -0.181 0.000 0.211 654 L C 2.737 179.596 176.870 -0.017 0.000 1.071 654 L CA 2.020 56.850 54.840 -0.018 0.000 0.749 654 L CB -0.580 41.464 42.059 -0.024 0.000 0.890 654 L HN 0.564 nan 8.230 nan 0.000 0.431 655 E N 0.064 120.254 120.200 -0.017 0.000 2.085 655 E HA -0.278 3.964 4.350 -0.181 0.000 0.194 655 E C 2.185 178.779 176.600 -0.011 0.000 0.994 655 E CA 1.302 57.693 56.400 -0.015 0.000 0.801 655 E CB -0.013 29.679 29.700 -0.014 0.000 0.743 655 E HN 0.481 nan 8.360 nan 0.000 0.453 656 A N 1.171 123.985 122.820 -0.010 0.000 1.908 656 A HA -0.127 4.084 4.320 -0.181 0.000 0.218 656 A C 2.313 179.894 177.584 -0.006 0.000 1.181 656 A CA 1.823 53.855 52.037 -0.007 0.000 0.627 656 A CB -0.698 18.298 19.000 -0.007 0.000 0.818 656 A HN 0.378 nan 8.150 nan 0.000 0.445 657 A N -1.734 121.081 122.820 -0.007 0.000 2.248 657 A HA 0.371 4.583 4.320 -0.181 0.000 0.210 657 A C 1.695 179.275 177.584 -0.006 0.000 1.174 657 A CA 1.333 53.367 52.037 -0.004 0.000 0.750 657 A CB -1.124 17.875 19.000 -0.002 0.000 0.780 657 A HN 2.044 nan 8.150 nan 0.000 0.478 658 G N -1.647 107.148 108.800 -0.009 0.000 2.140 658 G HA2 -0.134 3.718 3.960 -0.181 0.000 0.211 658 G HA3 -0.134 3.718 3.960 -0.181 0.000 0.211 658 G C -0.043 174.848 174.900 -0.016 0.000 1.013 658 G CA -0.062 45.032 45.100 -0.011 0.000 0.705 658 G HN 0.751 nan 8.290 nan 0.000 0.508 659 V N 1.244 121.146 119.914 -0.019 0.000 2.546 659 V HA 0.422 4.434 4.120 -0.181 0.000 0.284 659 V C -1.392 174.685 176.094 -0.027 0.000 1.050 659 V CA -1.307 60.978 62.300 -0.026 0.000 0.981 659 V CB 1.510 33.315 31.823 -0.031 0.000 0.990 659 V HN 0.167 nan 8.190 nan 0.000 0.474 660 P HA 0.148 nan 4.420 nan 0.000 0.244 660 P C -0.354 176.922 177.300 -0.041 0.000 1.769 660 P CA -0.081 63.001 63.100 -0.031 0.000 1.102 660 P CB -0.035 31.648 31.700 -0.029 0.000 1.937 661 V N 5.128 125.019 119.914 -0.037 0.000 2.415 661 V HA 0.047 4.058 4.120 -0.181 0.000 0.267 661 V C 1.285 177.351 176.094 -0.046 0.000 1.042 661 V CA -0.251 62.023 62.300 -0.044 0.000 1.000 661 V CB -0.460 31.342 31.823 -0.035 0.000 1.015 661 V HN 0.355 nan 8.190 nan 0.000 0.478 662 I N 2.735 123.266 120.570 -0.066 0.000 2.970 662 I HA 0.942 5.004 4.170 -0.181 0.000 0.310 662 I C 0.805 176.883 176.117 -0.065 0.000 1.010 662 I CA 0.054 61.313 61.300 -0.068 0.000 1.228 662 I CB 0.917 38.862 38.000 -0.091 0.000 1.433 662 I HN 0.816 nan 8.210 nan 0.000 0.573 663 G N 2.344 111.114 108.800 -0.050 0.000 2.750 663 G HA2 -0.208 3.644 3.960 -0.181 0.000 0.228 663 G HA3 -0.208 3.644 3.960 -0.181 0.000 0.228 663 G C -0.081 174.812 174.900 -0.011 0.000 1.367 663 G CA -0.278 44.803 45.100 -0.032 0.000 0.871 663 G HN 1.040 nan 8.290 nan 0.000 0.560 664 T N 1.158 115.715 114.554 0.006 0.000 2.596 664 T HA 0.319 4.561 4.350 -0.181 0.000 0.252 664 T C 1.423 176.126 174.700 0.005 0.000 1.033 664 T CA 1.153 63.261 62.100 0.013 0.000 1.215 664 T CB -0.243 68.638 68.868 0.022 0.000 1.011 664 T HN 1.989 nan 8.240 nan 0.000 0.498 665 S N 5.232 120.936 115.700 0.006 0.000 2.558 665 S HA 0.041 4.403 4.470 -0.181 0.000 0.287 665 S C -1.219 173.381 174.600 -0.000 0.000 1.321 665 S CA -1.111 57.090 58.200 0.002 0.000 1.048 665 S CB 0.630 63.834 63.200 0.006 0.000 0.844 665 S HN 0.345 nan 8.310 nan 0.000 0.512 666 P HA -0.093 nan 4.420 nan 0.000 0.216 666 P C 0.989 178.285 177.300 -0.006 0.000 1.150 666 P CA 1.665 64.760 63.100 -0.008 0.000 0.837 666 P CB -0.135 31.558 31.700 -0.012 0.000 0.786 667 D N -0.564 119.835 120.400 -0.002 0.000 2.117 667 D HA -0.127 4.405 4.640 -0.181 0.000 0.198 667 D C 1.979 178.283 176.300 0.006 0.000 0.982 667 D CA 1.304 55.304 54.000 0.001 0.000 0.828 667 D CB -0.511 40.291 40.800 0.003 0.000 0.967 667 D HN -0.055 nan 8.370 nan 0.000 0.464 668 A N 0.370 123.197 122.820 0.012 0.000 1.892 668 A HA -0.187 4.025 4.320 -0.181 0.000 0.218 668 A C 2.361 179.953 177.584 0.013 0.000 1.188 668 A CA 1.423 53.472 52.037 0.020 0.000 0.631 668 A CB -0.977 18.038 19.000 0.025 0.000 0.822 668 A HN 0.412 nan 8.150 nan 0.000 0.447 669 I N -0.529 120.043 120.570 0.003 0.000 2.118 669 I HA -0.305 3.757 4.170 -0.181 0.000 0.241 669 I C 2.331 178.437 176.117 -0.018 0.000 1.070 669 I CA 2.088 63.383 61.300 -0.010 0.000 1.327 669 I CB -0.468 37.526 38.000 -0.010 0.000 1.034 669 I HN 0.389 nan 8.210 nan 0.000 0.405 670 D N 0.502 120.894 120.400 -0.013 0.000 2.149 670 D HA -0.202 4.329 4.640 -0.181 0.000 0.198 670 D C 2.360 178.656 176.300 -0.007 0.000 0.990 670 D CA 1.182 55.173 54.000 -0.015 0.000 0.839 670 D CB 0.029 40.822 40.800 -0.013 0.000 0.948 670 D HN 0.055 nan 8.370 nan 0.000 0.460 671 R N -0.153 120.354 120.500 0.010 0.000 2.096 671 R HA -0.187 4.045 4.340 -0.181 0.000 0.240 671 R C 2.188 178.531 176.300 0.071 0.000 1.139 671 R CA 1.429 57.554 56.100 0.041 0.000 0.952 671 R CB -0.540 29.794 30.300 0.057 0.000 0.854 671 R HN 0.257 nan 8.270 nan 0.000 0.436 672 A N 1.272 124.102 122.820 0.018 0.000 1.855 672 A HA -0.145 4.066 4.320 -0.181 0.000 0.215 672 A C 1.963 179.415 177.584 -0.221 0.000 1.191 672 A CA 1.238 53.215 52.037 -0.098 0.000 0.613 672 A CB -0.300 18.622 19.000 -0.130 0.000 0.829 672 A HN 0.287 nan 8.150 nan 0.000 0.442 673 E N 0.499 120.622 120.200 -0.129 0.000 2.110 673 E HA -0.167 4.075 4.350 -0.181 0.000 0.193 673 E C 0.105 176.662 176.600 -0.071 0.000 0.988 673 E CA 0.857 57.186 56.400 -0.118 0.000 0.804 673 E CB -0.571 29.080 29.700 -0.081 0.000 0.745 673 E HN 0.706 nan 8.360 nan 0.000 0.458 674 D N 1.151 121.537 120.400 -0.023 0.000 2.346 674 D HA -0.025 4.507 4.640 -0.181 0.000 0.260 674 D C 1.391 177.733 176.300 0.071 0.000 1.252 674 D CA -0.178 53.828 54.000 0.010 0.000 0.895 674 D CB 0.614 41.413 40.800 -0.001 0.000 1.097 674 D HN -0.073 nan 8.370 nan 0.000 0.489 675 R N 3.475 124.018 120.500 0.072 0.000 2.174 675 R HA -0.240 3.991 4.340 -0.181 0.000 0.253 675 R C 1.270 177.680 176.300 0.184 0.000 1.165 675 R CA 1.312 57.495 56.100 0.139 0.000 0.984 675 R CB -0.470 29.884 30.300 0.089 0.000 0.873 675 R HN 0.591 nan 8.270 nan 0.000 0.456 676 E N 0.236 120.504 120.200 0.112 0.000 2.127 676 E HA 0.065 4.307 4.350 -0.181 0.000 0.191 676 E C 2.168 178.759 176.600 -0.016 0.000 0.964 676 E CA -0.136 56.319 56.400 0.092 0.000 0.832 676 E CB 0.266 29.966 29.700 -0.001 0.000 0.790 676 E HN 0.202 nan 8.360 nan 0.000 0.465 677 R N -0.050 120.420 120.500 -0.050 0.000 2.120 677 R HA -0.122 4.109 4.340 -0.181 0.000 0.234 677 R C 2.161 178.530 176.300 0.114 0.000 1.123 677 R CA 0.843 56.893 56.100 -0.083 0.000 0.975 677 R CB -0.291 29.998 30.300 -0.018 0.000 0.866 677 R HN 0.207 nan 8.270 nan 0.000 0.446 678 F N 2.002 121.963 119.950 0.019 0.000 2.098 678 F HA -0.105 4.315 4.527 -0.178 0.000 0.294 678 F C 2.402 178.260 175.800 0.096 0.000 1.107 678 F CA 1.304 59.333 58.000 0.049 0.000 1.234 678 F CB -0.457 38.559 39.000 0.027 0.000 1.002 678 F HN -0.099 nan 8.300 nan 0.000 0.472 679 Q N -0.784 119.032 119.800 0.027 0.000 2.197 679 Q HA -0.277 3.954 4.340 -0.181 0.000 0.207 679 Q C 2.058 178.034 176.000 -0.040 0.000 0.984 679 Q CA 2.011 57.766 55.803 -0.081 0.000 0.869 679 Q CB -0.286 28.503 28.738 0.084 0.000 0.906 679 Q HN 0.546 nan 8.270 nan 0.000 0.426 680 H N -0.589 118.434 119.070 -0.079 0.000 2.293 680 H HA -0.090 4.358 4.556 -0.181 0.000 0.300 680 H C 1.891 177.173 175.328 -0.075 0.000 1.082 680 H CA 1.631 57.649 56.048 -0.051 0.000 1.308 680 H CB -0.400 29.359 29.762 -0.006 0.000 1.375 680 H HN 0.341 nan 8.280 nan 0.000 0.495 681 A N 0.216 123.073 122.820 0.060 0.000 1.902 681 A HA -0.142 4.070 4.320 -0.181 0.000 0.217 681 A C 2.685 180.213 177.584 -0.095 0.000 1.181 681 A CA 1.682 53.720 52.037 0.002 0.000 0.623 681 A CB -0.956 18.074 19.000 0.050 0.000 0.818 681 A HN 0.257 nan 8.150 nan 0.000 0.443 682 V N 0.007 119.763 119.914 -0.262 0.000 2.287 682 V HA -0.258 3.754 4.120 -0.181 0.000 0.248 682 V C 2.687 178.694 176.094 -0.146 0.000 1.053 682 V CA 2.455 64.585 62.300 -0.284 0.000 1.027 682 V CB -0.662 30.871 31.823 -0.484 0.000 0.646 682 V HN 0.571 nan 8.190 nan 0.000 0.447 683 E N 0.377 120.496 120.200 -0.134 0.000 2.035 683 E HA -0.277 3.965 4.350 -0.181 0.000 0.204 683 E C 2.316 178.877 176.600 -0.064 0.000 1.025 683 E CA 2.097 58.439 56.400 -0.097 0.000 0.835 683 E CB -0.537 29.094 29.700 -0.115 0.000 0.764 683 E HN 0.536 nan 8.360 nan 0.000 0.457 684 R N 0.131 120.603 120.500 -0.046 0.000 2.140 684 R HA -0.166 4.065 4.340 -0.181 0.000 0.250 684 R C 2.283 178.575 176.300 -0.013 0.000 1.150 684 R CA 1.923 58.012 56.100 -0.019 0.000 0.966 684 R CB -0.463 29.841 30.300 0.006 0.000 0.869 684 R HN 0.243 nan 8.270 nan 0.000 0.445 685 L N 0.444 121.657 121.223 -0.017 0.000 2.554 685 L HA 0.128 4.359 4.340 -0.181 0.000 0.226 685 L C 0.198 177.061 176.870 -0.012 0.000 1.137 685 L CA 0.220 55.059 54.840 -0.002 0.000 0.863 685 L CB -0.127 41.940 42.059 0.013 0.000 0.985 685 L HN 0.169 nan 8.230 nan 0.000 0.451 686 K N 1.238 121.620 120.400 -0.030 0.000 3.619 686 K HA -0.147 4.064 4.320 -0.181 0.000 0.275 686 K C -0.745 175.834 176.600 -0.035 0.000 0.993 686 K CA 0.337 56.603 56.287 -0.034 0.000 0.787 686 K CB -1.429 31.054 32.500 -0.027 0.000 1.431 686 K HN 0.257 nan 8.250 nan 0.000 0.451 687 L N 0.125 121.323 121.223 -0.043 0.000 2.286 687 L HA 0.474 4.705 4.340 -0.181 0.000 0.265 687 L C 0.529 177.370 176.870 -0.049 0.000 1.012 687 L CA -1.217 53.602 54.840 -0.035 0.000 0.818 687 L CB 1.340 43.397 42.059 -0.003 0.000 1.337 687 L HN 0.014 nan 8.230 nan 0.000 0.438 688 K N 2.069 122.436 120.400 -0.056 0.000 2.227 688 K HA 0.345 4.557 4.320 -0.181 0.000 0.280 688 K C -1.005 175.621 176.600 0.044 0.000 1.041 688 K CA -0.169 56.073 56.287 -0.076 0.000 0.905 688 K CB 1.651 33.972 32.500 -0.298 0.000 1.068 688 K HN 0.518 nan 8.250 nan 0.000 0.470 689 Q N 3.484 123.343 119.800 0.098 0.000 2.394 689 Q HA 0.422 4.654 4.340 -0.181 0.000 0.273 689 Q C -2.428 173.702 176.000 0.216 0.000 1.089 689 Q CA -2.052 53.841 55.803 0.150 0.000 0.812 689 Q CB 2.133 30.894 28.738 0.039 0.000 1.353 689 Q HN 0.306 nan 8.270 nan 0.000 0.438 690 P HA 0.135 nan 4.420 nan 0.000 0.271 690 P C -1.316 176.057 177.300 0.122 0.000 1.218 690 P CA -0.233 62.961 63.100 0.157 0.000 0.780 690 P CB 0.593 32.336 31.700 0.072 0.000 0.901 691 A N 2.998 125.888 122.820 0.117 0.000 2.545 691 A HA 0.261 4.473 4.320 -0.181 0.000 0.253 691 A C 0.501 178.125 177.584 0.066 0.000 1.074 691 A CA 0.100 52.179 52.037 0.070 0.000 0.760 691 A CB -1.189 17.827 19.000 0.026 0.000 1.005 691 A HN 0.765 nan 8.150 nan 0.000 0.506 692 N N 0.495 119.224 118.700 0.048 0.000 2.469 692 N HA 0.839 5.471 4.740 -0.181 0.000 0.286 692 N C -0.873 174.657 175.510 0.032 0.000 1.275 692 N CA -0.184 52.892 53.050 0.044 0.000 0.790 692 N CB 2.008 40.530 38.487 0.059 0.000 1.446 692 N HN 0.891 nan 8.380 nan 0.000 0.501 693 A N -0.421 122.418 122.820 0.032 0.000 2.555 693 A HA 0.601 4.813 4.320 -0.181 0.000 0.297 693 A C -1.400 176.208 177.584 0.041 0.000 1.060 693 A CA -0.759 51.297 52.037 0.032 0.000 0.710 693 A CB 1.240 20.253 19.000 0.022 0.000 1.282 693 A HN 0.582 nan 8.150 nan 0.000 0.399 694 T N 2.339 116.920 114.554 0.046 0.000 2.910 694 T HA 0.473 4.715 4.350 -0.181 0.000 0.323 694 T C -0.115 174.618 174.700 0.055 0.000 1.091 694 T CA -0.098 62.033 62.100 0.052 0.000 0.960 694 T CB 0.179 69.078 68.868 0.052 0.000 1.024 694 T HN 0.531 nan 8.240 nan 0.000 0.509 695 V N 3.675 123.633 119.914 0.074 0.000 2.644 695 V HA 0.297 4.309 4.120 -0.181 0.000 0.295 695 V C 1.197 177.343 176.094 0.087 0.000 1.053 695 V CA -0.248 62.101 62.300 0.082 0.000 0.987 695 V CB 1.630 33.523 31.823 0.117 0.000 1.006 695 V HN 0.869 nan 8.190 nan 0.000 0.472 696 T N 1.661 116.249 114.554 0.057 0.000 3.056 696 T HA 0.360 4.601 4.350 -0.181 0.000 0.241 696 T C 0.565 175.282 174.700 0.029 0.000 1.006 696 T CA 0.734 62.863 62.100 0.047 0.000 1.115 696 T CB 0.503 69.387 68.868 0.028 0.000 0.939 696 T HN 0.779 nan 8.240 nan 0.000 0.462 697 A N 0.304 123.116 122.820 -0.013 0.000 2.288 697 A HA 0.704 4.916 4.320 -0.181 0.000 0.328 697 A C 0.788 178.244 177.584 -0.213 0.000 1.123 697 A CA -0.572 51.417 52.037 -0.080 0.000 0.861 697 A CB 0.469 19.429 19.000 -0.067 0.000 1.272 697 A HN 0.097 nan 8.150 nan 0.000 0.490 698 I N 0.498 120.853 120.570 -0.357 0.000 2.072 698 I HA -0.158 3.904 4.170 -0.181 0.000 0.235 698 I C 2.188 178.058 176.117 -0.410 0.000 1.058 698 I CA 1.568 62.448 61.300 -0.700 0.000 1.320 698 I CB -0.669 36.966 38.000 -0.608 0.000 1.047 698 I HN 0.690 nan 8.210 nan 0.000 0.397 699 E N 0.181 120.245 120.200 -0.227 0.000 2.233 699 E HA -0.294 3.948 4.350 -0.181 0.000 0.199 699 E C 2.178 178.734 176.600 -0.073 0.000 1.004 699 E CA 1.354 57.684 56.400 -0.117 0.000 0.819 699 E CB -0.571 29.083 29.700 -0.077 0.000 0.738 699 E HN 0.543 nan 8.360 nan 0.000 0.478 700 M N 0.261 119.813 119.600 -0.079 0.000 2.067 700 M HA -0.197 4.175 4.480 -0.181 0.000 0.260 700 M C 2.278 178.574 176.300 -0.006 0.000 1.069 700 M CA 1.772 57.052 55.300 -0.033 0.000 1.117 700 M CB -0.152 32.431 32.600 -0.028 0.000 1.334 700 M HN 0.136 nan 8.290 nan 0.000 0.407 701 A N -0.126 122.687 122.820 -0.012 0.000 1.849 701 A HA -0.188 4.023 4.320 -0.181 0.000 0.217 701 A C 1.947 179.580 177.584 0.082 0.000 1.202 701 A CA 2.303 54.384 52.037 0.075 0.000 0.629 701 A CB -1.417 17.691 19.000 0.179 0.000 0.834 701 A HN 0.409 nan 8.150 nan 0.000 0.447 702 V N 0.309 120.267 119.914 0.074 0.000 2.428 702 V HA -0.317 3.694 4.120 -0.181 0.000 0.255 702 V C 2.490 178.646 176.094 0.103 0.000 1.080 702 V CA 2.728 65.100 62.300 0.120 0.000 1.083 702 V CB -1.032 30.837 31.823 0.076 0.000 0.665 702 V HN 0.780 nan 8.190 nan 0.000 0.461 703 E N 0.681 120.914 120.200 0.055 0.000 2.042 703 E HA -0.127 4.114 4.350 -0.181 0.000 0.189 703 E C 2.091 178.715 176.600 0.039 0.000 0.974 703 E CA 1.042 57.469 56.400 0.045 0.000 0.806 703 E CB -0.253 29.461 29.700 0.023 0.000 0.769 703 E HN 0.367 nan 8.360 nan 0.000 0.451 704 K N 0.225 120.643 120.400 0.030 0.000 2.147 704 K HA 0.028 4.240 4.320 -0.181 0.000 0.205 704 K C 1.801 178.399 176.600 -0.003 0.000 1.049 704 K CA 1.203 57.500 56.287 0.017 0.000 0.936 704 K CB -0.496 32.018 32.500 0.023 0.000 0.722 704 K HN 0.247 nan 8.250 nan 0.000 0.446 705 A N 0.500 123.317 122.820 -0.004 0.000 1.877 705 A HA -0.188 4.024 4.320 -0.181 0.000 0.216 705 A C 1.961 179.498 177.584 -0.078 0.000 1.186 705 A CA 1.820 53.787 52.037 -0.118 0.000 0.620 705 A CB -0.430 18.498 19.000 -0.119 0.000 0.822 705 A HN 0.222 nan 8.150 nan 0.000 0.443 706 K N -0.227 120.227 120.400 0.090 0.000 2.160 706 K HA -0.164 4.048 4.320 -0.181 0.000 0.206 706 K C 2.024 178.660 176.600 0.061 0.000 1.047 706 K CA 1.644 58.016 56.287 0.142 0.000 0.930 706 K CB -0.087 32.485 32.500 0.120 0.000 0.720 706 K HN 0.676 nan 8.250 nan 0.000 0.450 707 E N 0.057 120.269 120.200 0.021 0.000 2.005 707 E HA -0.158 4.084 4.350 -0.181 0.000 0.191 707 E C 1.946 178.530 176.600 -0.027 0.000 0.987 707 E CA 1.245 57.645 56.400 0.000 0.000 0.814 707 E CB -0.052 29.647 29.700 -0.001 0.000 0.772 707 E HN 0.126 nan 8.360 nan 0.000 0.453 708 I N 0.232 120.774 120.570 -0.046 0.000 2.069 708 I HA -0.194 3.867 4.170 -0.181 0.000 0.237 708 I C 1.154 177.198 176.117 -0.121 0.000 1.053 708 I CA 1.586 62.845 61.300 -0.068 0.000 1.311 708 I CB -0.359 37.611 38.000 -0.050 0.000 1.030 708 I HN 0.343 nan 8.210 nan 0.000 0.398 709 G N -1.429 107.303 108.800 -0.112 0.000 2.885 709 G HA2 -0.107 3.745 3.960 -0.181 0.000 0.685 709 G HA3 -0.107 3.745 3.960 -0.181 0.000 0.685 709 G C -0.921 174.016 174.900 0.062 0.000 1.216 709 G CA -1.082 43.996 45.100 -0.037 0.000 0.790 709 G HN 0.045 nan 8.290 nan 0.000 0.631 710 Y N 1.810 122.212 120.300 0.171 0.000 2.326 710 Y HA 0.489 4.930 4.550 -0.182 0.000 0.333 710 Y C -0.950 175.135 175.900 0.307 0.000 1.240 710 Y CA -1.153 57.075 58.100 0.213 0.000 1.365 710 Y CB 0.443 38.994 38.460 0.153 0.000 1.289 710 Y HN 0.504 nan 8.280 nan 0.000 0.548 711 P HA 0.263 nan 4.420 nan 0.000 0.275 711 P C -1.228 176.165 177.300 0.153 0.000 1.266 711 P CA -0.327 62.995 63.100 0.370 0.000 0.793 711 P CB 0.910 32.878 31.700 0.446 0.000 1.074 712 L N -0.164 121.050 121.223 -0.015 0.000 2.354 712 L HA 0.449 4.681 4.340 -0.181 0.000 0.264 712 L C -0.847 175.910 176.870 -0.188 0.000 1.008 712 L CA -0.763 54.005 54.840 -0.120 0.000 0.819 712 L CB 2.375 44.284 42.059 -0.251 0.000 1.339 712 L HN 0.002 nan 8.230 nan 0.000 0.420 713 V N 3.509 123.344 119.914 -0.132 0.000 2.293 713 V HA 0.314 4.326 4.120 -0.181 0.000 0.275 713 V C -0.625 175.360 176.094 -0.182 0.000 1.021 713 V CA -0.708 61.498 62.300 -0.156 0.000 0.815 713 V CB 1.579 33.382 31.823 -0.034 0.000 1.025 713 V HN 0.435 nan 8.190 nan 0.000 0.448 714 V N 5.696 125.428 119.914 -0.304 0.000 2.356 714 V HA 0.418 4.429 4.120 -0.181 0.000 0.258 714 V C 0.516 176.477 176.094 -0.221 0.000 1.065 714 V CA -0.561 61.540 62.300 -0.333 0.000 0.935 714 V CB -0.063 31.362 31.823 -0.664 0.000 1.061 714 V HN 0.707 nan 8.190 nan 0.000 0.484 715 R N 4.933 125.367 120.500 -0.109 0.000 2.265 715 R HA 0.579 4.811 4.340 -0.181 0.000 0.319 715 R C -2.054 174.237 176.300 -0.014 0.000 1.006 715 R CA -0.972 55.098 56.100 -0.051 0.000 0.880 715 R CB 1.961 32.248 30.300 -0.023 0.000 1.077 715 R HN 0.589 nan 8.270 nan 0.000 0.454 725 M N 1.489 121.072 119.600 -0.029 0.000 2.446 725 M HA 0.608 4.980 4.480 -0.181 0.000 0.294 725 M C -0.668 175.565 176.300 -0.112 0.000 1.158 725 M CA -0.267 54.990 55.300 -0.071 0.000 0.899 725 M CB 2.683 35.251 32.600 -0.053 0.000 1.687 725 M HN 0.899 nan 8.290 nan 0.000 0.455 726 E N 2.359 122.419 120.200 -0.234 0.000 2.356 726 E HA 0.582 4.823 4.350 -0.181 0.000 0.275 726 E C -1.877 174.467 176.600 -0.426 0.000 0.904 726 E CA -0.626 55.596 56.400 -0.297 0.000 0.757 726 E CB 2.322 31.880 29.700 -0.237 0.000 1.232 726 E HN 0.677 nan 8.360 nan 0.000 0.442 727 I N 3.492 123.795 120.570 -0.445 0.000 2.321 727 I HA 0.287 4.348 4.170 -0.181 0.000 0.291 727 I C -0.693 174.934 176.117 -0.817 0.000 0.998 727 I CA -0.872 60.069 61.300 -0.599 0.000 1.227 727 I CB 1.519 39.118 38.000 -0.668 0.000 1.368 727 I HN 0.270 nan 8.210 nan 0.000 0.466 728 V N 6.913 126.408 119.914 -0.699 0.000 2.459 728 V HA 0.222 4.234 4.120 -0.181 0.000 0.295 728 V C -0.108 175.750 176.094 -0.394 0.000 1.029 728 V CA -0.380 61.573 62.300 -0.579 0.000 0.874 728 V CB 1.246 32.901 31.823 -0.281 0.000 0.985 728 V HN 0.615 nan 8.190 nan 0.000 0.438 729 Y N 1.519 121.897 120.300 0.129 0.000 2.389 729 Y HA 0.217 4.660 4.550 -0.179 0.000 0.292 729 Y C 0.747 176.723 175.900 0.128 0.000 1.117 729 Y CA -0.234 57.968 58.100 0.169 0.000 1.195 729 Y CB 0.323 38.820 38.460 0.061 0.000 1.076 729 Y HN 0.793 nan 8.280 nan 0.000 0.548 730 D N -1.783 118.637 120.400 0.034 0.000 2.610 730 D HA 0.093 4.625 4.640 -0.181 0.000 0.271 730 D C 0.496 176.551 176.300 -0.408 0.000 1.174 730 D CA -0.791 52.883 54.000 -0.543 0.000 0.949 730 D CB 0.542 41.161 40.800 -0.302 0.000 1.430 730 D HN -0.047 nan 8.370 nan 0.000 0.467 731 E N -0.125 119.757 120.200 -0.530 0.000 2.097 731 E HA -0.311 3.931 4.350 -0.181 0.000 0.196 731 E C 1.828 178.455 176.600 0.045 0.000 1.000 731 E CA 1.628 57.981 56.400 -0.078 0.000 0.804 731 E CB -0.214 29.443 29.700 -0.072 0.000 0.740 731 E HN 0.522 nan 8.360 nan 0.000 0.454 732 A N 1.082 123.898 122.820 -0.006 0.000 1.877 732 A HA -0.236 3.975 4.320 -0.181 0.000 0.216 732 A C 1.884 179.514 177.584 0.078 0.000 1.186 732 A CA 2.000 54.058 52.037 0.034 0.000 0.620 732 A CB -0.755 18.252 19.000 0.010 0.000 0.822 732 A HN 0.294 nan 8.150 nan 0.000 0.443 733 D N -0.798 119.645 120.400 0.072 0.000 2.133 733 D HA -0.156 4.376 4.640 -0.181 0.000 0.195 733 D C 1.785 178.168 176.300 0.139 0.000 0.997 733 D CA 1.112 55.168 54.000 0.094 0.000 0.840 733 D CB -0.167 40.683 40.800 0.083 0.000 0.947 733 D HN 0.241 nan 8.370 nan 0.000 0.452 734 L N 1.310 122.657 121.223 0.207 0.000 1.956 734 L HA -0.202 4.030 4.340 -0.181 0.000 0.216 734 L C 2.076 179.215 176.870 0.447 0.000 1.073 734 L CA 1.832 56.860 54.840 0.313 0.000 0.762 734 L CB -0.828 41.482 42.059 0.419 0.000 0.889 734 L HN 0.054 nan 8.230 nan 0.000 0.433 735 R N -0.857 119.858 120.500 0.358 0.000 2.097 735 R HA -0.218 4.014 4.340 -0.181 0.000 0.236 735 R C 2.278 178.742 176.300 0.274 0.000 1.135 735 R CA 1.521 57.814 56.100 0.320 0.000 0.934 735 R CB -0.874 29.520 30.300 0.157 0.000 0.846 735 R HN 0.378 nan 8.270 nan 0.000 0.431 736 R N 0.387 120.995 120.500 0.179 0.000 2.159 736 R HA -0.276 3.956 4.340 -0.181 0.000 0.252 736 R C 2.231 178.604 176.300 0.121 0.000 1.144 736 R CA 2.297 58.470 56.100 0.122 0.000 0.961 736 R CB -0.548 29.813 30.300 0.101 0.000 0.877 736 R HN 0.394 nan 8.270 nan 0.000 0.444 737 Y N -0.142 120.165 120.300 0.011 0.000 2.092 737 Y HA -0.259 4.172 4.550 -0.197 0.000 0.282 737 Y C 2.036 177.899 175.900 -0.062 0.000 1.126 737 Y CA 1.926 59.971 58.100 -0.091 0.000 1.111 737 Y CB -0.726 37.584 38.460 -0.249 0.000 0.987 737 Y HN -0.037 nan 8.280 nan 0.000 0.489 738 F N 1.486 121.441 119.950 0.008 0.000 2.135 738 F HA -0.397 4.028 4.527 -0.170 0.000 0.300 738 F C 2.616 178.315 175.800 -0.170 0.000 1.074 738 F CA 2.191 60.139 58.000 -0.087 0.000 1.262 738 F CB -1.103 37.936 39.000 0.065 0.000 1.013 738 F HN 0.318 nan 8.300 nan 0.000 0.489 739 Q N 0.165 120.004 119.800 0.064 0.000 1.806 739 Q HA -0.257 3.974 4.340 -0.181 0.000 0.277 739 Q C 2.407 178.353 176.000 -0.089 0.000 0.993 739 Q CA 3.227 59.031 55.803 0.002 0.000 0.888 739 Q CB -0.632 28.112 28.738 0.010 0.000 0.941 739 Q HN 0.459 nan 8.270 nan 0.000 0.420 740 T N -0.676 113.801 114.554 -0.129 0.000 2.714 740 T HA -0.196 4.045 4.350 -0.181 0.000 0.268 740 T C 0.980 175.529 174.700 -0.251 0.000 1.036 740 T CA 0.968 62.972 62.100 -0.161 0.000 1.148 740 T CB -0.980 67.802 68.868 -0.144 0.000 0.856 740 T HN 0.543 nan 8.240 nan 0.000 0.462 751 L N 5.390 126.632 121.223 0.032 0.000 2.292 751 L HA 0.632 4.864 4.340 -0.181 0.000 0.284 751 L C -0.635 176.233 176.870 -0.003 0.000 1.065 751 L CA -0.221 54.633 54.840 0.024 0.000 0.806 751 L CB 1.305 43.378 42.059 0.024 0.000 1.175 751 L HN 0.419 nan 8.230 nan 0.000 0.431 752 L N 3.394 124.621 121.223 0.007 0.000 2.333 752 L HA 0.514 4.746 4.340 -0.181 0.000 0.280 752 L C -0.947 175.920 176.870 -0.005 0.000 1.004 752 L CA -0.320 54.508 54.840 -0.021 0.000 0.820 752 L CB 1.471 43.523 42.059 -0.012 0.000 1.247 752 L HN 0.507 nan 8.230 nan 0.000 0.416 753 D N -0.021 120.370 120.400 -0.014 0.000 2.879 753 D HA 0.261 4.793 4.640 -0.181 0.000 0.236 753 D C -0.786 175.540 176.300 0.044 0.000 1.171 753 D CA -0.475 53.542 54.000 0.027 0.000 0.868 753 D CB 1.257 42.079 40.800 0.037 0.000 1.598 753 D HN 0.414 nan 8.370 nan 0.000 0.497 754 H N 1.659 120.717 119.070 -0.021 0.000 3.004 754 H HA 0.136 4.585 4.556 -0.179 0.000 0.316 754 H C -0.984 174.362 175.328 0.030 0.000 1.014 754 H CA 0.014 56.051 56.048 -0.018 0.000 1.454 754 H CB 0.138 29.875 29.762 -0.042 0.000 1.472 754 H HN 0.267 nan 8.280 nan 0.000 0.571 755 F N 6.661 126.227 119.950 -0.640 0.000 2.413 755 F HA 0.222 4.644 4.527 -0.175 0.000 0.359 755 F C -0.645 174.741 175.800 -0.690 0.000 1.122 755 F CA -0.889 56.805 58.000 -0.509 0.000 1.160 755 F CB 0.195 39.050 39.000 -0.241 0.000 1.146 755 F HN 0.554 nan 8.300 nan 0.000 0.514 756 L N 6.819 127.382 121.223 -1.101 0.000 2.505 756 L HA 0.093 4.325 4.340 -0.181 0.000 0.279 756 L C -0.252 175.942 176.870 -1.126 0.000 1.211 756 L CA -0.474 53.807 54.840 -0.932 0.000 1.059 756 L CB -1.086 40.553 42.059 -0.699 0.000 1.340 756 L HN 0.572 nan 8.230 nan 0.000 0.447 757 D N 1.584 121.504 120.400 -0.801 0.000 2.400 757 D HA -0.008 4.524 4.640 -0.181 0.000 0.238 757 D C 0.386 176.546 176.300 -0.234 0.000 1.157 757 D CA -0.437 53.317 54.000 -0.410 0.000 0.889 757 D CB 0.285 41.058 40.800 -0.046 0.000 1.199 757 D HN 0.386 nan 8.370 nan 0.000 0.436 758 D N -0.897 119.447 120.400 -0.093 0.000 2.692 758 D HA -0.186 4.345 4.640 -0.181 0.000 0.233 758 D C -0.563 175.690 176.300 -0.078 0.000 1.172 758 D CA 0.951 54.923 54.000 -0.046 0.000 0.636 758 D CB -1.147 39.646 40.800 -0.011 0.000 1.028 758 D HN 0.546 nan 8.370 nan 0.000 0.419 759 A N -0.115 122.634 122.820 -0.119 0.000 2.340 759 A HA 0.613 4.825 4.320 -0.181 0.000 0.331 759 A C 0.119 177.672 177.584 -0.052 0.000 1.140 759 A CA -0.597 51.375 52.037 -0.107 0.000 0.801 759 A CB 1.956 20.838 19.000 -0.197 0.000 1.234 759 A HN 0.065 nan 8.150 nan 0.000 0.469 760 V N 1.947 121.838 119.914 -0.039 0.000 2.465 760 V HA 0.242 4.253 4.120 -0.181 0.000 0.279 760 V C 0.450 176.516 176.094 -0.047 0.000 1.045 760 V CA -0.218 62.065 62.300 -0.028 0.000 0.938 760 V CB 1.203 32.998 31.823 -0.048 0.000 0.986 760 V HN 0.986 nan 8.190 nan 0.000 0.467 761 E N 3.672 123.821 120.200 -0.086 0.000 2.231 761 E HA 0.626 4.868 4.350 -0.181 0.000 0.277 761 E C -1.449 174.830 176.600 -0.535 0.000 0.999 761 E CA -0.396 55.846 56.400 -0.263 0.000 0.827 761 E CB 1.813 31.378 29.700 -0.225 0.000 1.101 761 E HN 0.461 nan 8.360 nan 0.000 0.393 762 V N 3.732 123.433 119.914 -0.356 0.000 2.876 762 V HA 0.311 4.322 4.120 -0.181 0.000 0.312 762 V C -0.856 175.202 176.094 -0.060 0.000 1.085 762 V CA -0.886 61.297 62.300 -0.195 0.000 0.945 762 V CB 2.278 34.139 31.823 0.063 0.000 1.017 762 V HN 0.757 nan 8.190 nan 0.000 0.428 763 D N 1.749 122.196 120.400 0.078 0.000 2.362 763 D HA 0.634 5.165 4.640 -0.181 0.000 0.247 763 D C -1.277 175.119 176.300 0.160 0.000 1.050 763 D CA -0.051 54.040 54.000 0.152 0.000 0.839 763 D CB 2.477 43.417 40.800 0.232 0.000 1.283 763 D HN 0.263 nan 8.370 nan 0.000 0.477 764 V N 3.050 123.042 119.914 0.131 0.000 2.482 764 V HA 0.254 4.265 4.120 -0.181 0.000 0.295 764 V C -0.632 175.511 176.094 0.082 0.000 1.026 764 V CA -0.905 61.477 62.300 0.136 0.000 0.856 764 V CB 2.064 34.014 31.823 0.211 0.000 1.001 764 V HN 0.375 nan 8.190 nan 0.000 0.424 765 D N 3.837 124.281 120.400 0.074 0.000 2.256 765 D HA 0.821 5.352 4.640 -0.181 0.000 0.240 765 D C -0.047 176.275 176.300 0.037 0.000 1.062 765 D CA 0.141 54.169 54.000 0.046 0.000 0.832 765 D CB 2.417 43.242 40.800 0.042 0.000 1.135 765 D HN 0.789 nan 8.370 nan 0.000 0.484 766 A N 2.204 125.037 122.820 0.023 0.000 2.569 766 A HA 0.790 5.002 4.320 -0.181 0.000 0.290 766 A C -1.126 176.461 177.584 0.005 0.000 1.136 766 A CA -0.666 51.378 52.037 0.012 0.000 0.710 766 A CB 1.283 20.284 19.000 0.002 0.000 1.303 766 A HN 0.493 nan 8.150 nan 0.000 0.413 767 I N -0.054 120.516 120.570 -0.001 0.000 2.509 767 I HA 0.538 4.600 4.170 -0.181 0.000 0.293 767 I C -0.752 175.349 176.117 -0.026 0.000 1.020 767 I CA -0.576 60.728 61.300 0.005 0.000 1.088 767 I CB 1.808 39.825 38.000 0.029 0.000 1.267 767 I HN 0.639 nan 8.210 nan 0.000 0.430 768 C N 5.060 124.343 119.300 -0.029 0.000 2.482 768 C HA 0.460 4.812 4.460 -0.181 0.000 0.317 768 C C 0.245 175.241 174.990 0.011 0.000 1.197 768 C CA -0.437 58.545 59.018 -0.060 0.000 1.432 768 C CB 1.017 28.657 27.740 -0.167 0.000 2.062 768 C HN 0.940 nan 8.230 nan 0.000 0.471 769 D N 1.859 122.291 120.400 0.054 0.000 2.431 769 D HA 0.282 4.814 4.640 -0.181 0.000 0.213 769 D C 1.358 177.727 176.300 0.114 0.000 1.130 769 D CA 0.699 54.744 54.000 0.076 0.000 0.834 769 D CB 0.152 40.993 40.800 0.069 0.000 0.985 769 D HN 1.369 nan 8.370 nan 0.000 0.504 770 G N 0.635 109.546 108.800 0.185 0.000 2.258 770 G HA2 -0.349 3.503 3.960 -0.181 0.000 0.233 770 G HA3 -0.349 3.503 3.960 -0.181 0.000 0.233 770 G C 1.013 176.099 174.900 0.311 0.000 1.006 770 G CA 0.349 45.605 45.100 0.261 0.000 0.620 770 G HN 0.411 nan 8.290 nan 0.000 0.511 771 E N -0.423 119.930 120.200 0.254 0.000 2.132 771 E HA 0.405 4.647 4.350 -0.181 0.000 0.193 771 E C 1.486 178.260 176.600 0.290 0.000 0.951 771 E CA 1.020 57.527 56.400 0.179 0.000 0.843 771 E CB 0.123 29.886 29.700 0.106 0.000 0.807 771 E HN 0.741 nan 8.360 nan 0.000 0.467 772 M N -1.242 118.546 119.600 0.314 0.000 2.716 772 M HA 0.559 4.931 4.480 -0.181 0.000 0.278 772 M C -1.589 174.800 176.300 0.149 0.000 1.281 772 M CA -0.887 54.602 55.300 0.316 0.000 0.814 772 M CB 2.408 35.107 32.600 0.165 0.000 1.719 772 M HN -0.294 nan 8.290 nan 0.000 0.457 773 V N 2.140 122.093 119.914 0.065 0.000 2.588 773 V HA 0.576 4.588 4.120 -0.181 0.000 0.304 773 V C -1.313 174.776 176.094 -0.008 0.000 1.042 773 V CA -0.693 61.566 62.300 -0.067 0.000 0.877 773 V CB 1.844 33.544 31.823 -0.205 0.000 0.996 773 V HN 0.753 nan 8.190 nan 0.000 0.425 774 L N 6.289 127.506 121.223 -0.010 0.000 2.287 774 L HA 0.596 4.827 4.340 -0.181 0.000 0.287 774 L C -0.479 176.391 176.870 0.001 0.000 1.022 774 L CA -0.005 54.838 54.840 0.004 0.000 0.814 774 L CB 1.068 43.133 42.059 0.011 0.000 1.217 774 L HN 0.437 nan 8.230 nan 0.000 0.420 775 I N 5.692 126.264 120.570 0.005 0.000 2.379 775 I HA 0.161 4.222 4.170 -0.181 0.000 0.290 775 I C 1.409 177.531 176.117 0.009 0.000 1.063 775 I CA 0.439 61.746 61.300 0.011 0.000 1.351 775 I CB 0.691 38.700 38.000 0.014 0.000 1.410 775 I HN 0.883 nan 8.210 nan 0.000 0.505 776 G N 5.443 114.252 108.800 0.015 0.000 2.396 776 G HA2 0.234 4.086 3.960 -0.181 0.000 0.214 776 G HA3 0.234 4.086 3.960 -0.181 0.000 0.214 776 G C 0.651 175.558 174.900 0.011 0.000 1.166 776 G CA 0.635 45.741 45.100 0.011 0.000 0.793 776 G HN 0.773 nan 8.290 nan 0.000 0.533 777 G N -0.989 107.832 108.800 0.035 0.000 2.596 777 G HA2 0.449 4.300 3.960 -0.181 0.000 0.296 777 G HA3 0.449 4.300 3.960 -0.181 0.000 0.296 777 G C -1.678 173.276 174.900 0.090 0.000 1.513 777 G CA -0.836 44.295 45.100 0.051 0.000 0.851 777 G HN 0.136 nan 8.290 nan 0.000 0.548 778 I N 1.649 122.276 120.570 0.095 0.000 2.382 778 I HA 0.421 4.483 4.170 -0.181 0.000 0.286 778 I C -0.164 176.050 176.117 0.162 0.000 1.002 778 I CA -0.469 60.901 61.300 0.117 0.000 1.135 778 I CB 1.831 39.878 38.000 0.078 0.000 1.288 778 I HN 0.248 nan 8.210 nan 0.000 0.448 779 M N 5.980 125.699 119.600 0.199 0.000 2.227 779 M HA 0.314 4.686 4.480 -0.181 0.000 0.335 779 M C -0.339 176.110 176.300 0.249 0.000 1.053 779 M CA -0.323 55.136 55.300 0.266 0.000 0.973 779 M CB 1.942 34.724 32.600 0.303 0.000 1.623 779 M HN 0.426 nan 8.290 nan 0.000 0.434 780 E N 3.592 123.963 120.200 0.285 0.000 2.109 780 E HA 0.218 4.459 4.350 -0.181 0.000 0.278 780 E C -1.017 175.815 176.600 0.387 0.000 0.954 780 E CA -0.453 56.099 56.400 0.253 0.000 0.779 780 E CB 0.747 30.577 29.700 0.217 0.000 1.093 780 E HN 0.662 nan 8.360 nan 0.000 0.401 781 H N 3.905 123.087 119.070 0.186 0.000 2.764 781 H HA 0.012 4.460 4.556 -0.180 0.000 0.341 781 H C 0.982 176.447 175.328 0.229 0.000 1.072 781 H CA -0.704 55.450 56.048 0.177 0.000 1.444 781 H CB 1.142 30.978 29.762 0.123 0.000 1.458 781 H HN 0.559 nan 8.280 nan 0.000 0.572 782 I N 1.736 122.527 120.570 0.369 0.000 2.133 782 I HA -0.178 3.884 4.170 -0.181 0.000 0.238 782 I C 0.731 177.004 176.117 0.261 0.000 1.074 782 I CA 1.285 62.774 61.300 0.315 0.000 1.342 782 I CB -0.087 38.061 38.000 0.247 0.000 1.053 782 I HN 0.628 nan 8.210 nan 0.000 0.404 783 E N 1.899 122.240 120.200 0.234 0.000 2.373 783 E HA 0.049 4.291 4.350 -0.181 0.000 0.267 783 E C 0.161 176.893 176.600 0.219 0.000 1.032 783 E CA -0.334 56.188 56.400 0.203 0.000 0.889 783 E CB 0.220 30.025 29.700 0.174 0.000 0.984 783 E HN 0.151 nan 8.360 nan 0.000 0.425 784 Q N 1.448 121.354 119.800 0.177 0.000 2.722 784 Q HA 0.175 4.406 4.340 -0.181 0.000 0.214 784 Q C -0.283 175.817 176.000 0.167 0.000 1.109 784 Q CA -0.381 55.508 55.803 0.145 0.000 1.066 784 Q CB 0.194 29.005 28.738 0.120 0.000 1.290 784 Q HN 0.477 nan 8.270 nan 0.000 0.620 785 A N -0.766 122.115 122.820 0.101 0.000 2.462 785 A HA 0.478 4.690 4.320 -0.181 0.000 0.243 785 A C 1.064 178.823 177.584 0.291 0.000 1.076 785 A CA 0.635 52.739 52.037 0.112 0.000 0.773 785 A CB -0.548 18.429 19.000 -0.039 0.000 1.010 785 A HN 1.389 nan 8.150 nan 0.000 0.493 786 G N 0.356 109.372 108.800 0.359 0.000 2.255 786 G HA2 -0.091 3.761 3.960 -0.181 0.000 0.196 786 G HA3 -0.091 3.761 3.960 -0.181 0.000 0.196 786 G C -0.022 174.992 174.900 0.190 0.000 0.998 786 G CA 0.068 45.415 45.100 0.411 0.000 0.656 786 G HN 1.448 nan 8.290 nan 0.000 0.490 787 V N 3.108 123.137 119.914 0.192 0.000 2.326 787 V HA 0.406 4.418 4.120 -0.181 0.000 0.281 787 V C 0.684 176.878 176.094 0.167 0.000 1.015 787 V CA -1.068 61.333 62.300 0.169 0.000 0.823 787 V CB 1.172 33.093 31.823 0.164 0.000 1.009 787 V HN 0.448 nan 8.190 nan 0.000 0.436 788 H N 3.651 122.771 119.070 0.084 0.000 3.198 788 H HA -0.129 4.328 4.556 -0.164 0.000 0.296 788 H C 1.639 176.988 175.328 0.034 0.000 0.935 788 H CA 1.175 57.259 56.048 0.061 0.000 1.365 788 H CB 1.009 30.789 29.762 0.031 0.000 1.267 788 H HN 0.866 nan 8.280 nan 0.000 0.572 789 S N 2.871 118.392 115.700 -0.298 0.000 2.383 789 S HA -0.149 4.212 4.470 -0.181 0.000 0.229 789 S C 2.271 176.841 174.600 -0.049 0.000 1.030 789 S CA 0.883 58.979 58.200 -0.173 0.000 1.002 789 S CB -0.483 62.696 63.200 -0.034 0.000 0.829 789 S HN 0.720 nan 8.310 nan 0.000 0.467 790 G N 0.952 109.992 108.800 0.400 0.000 2.559 790 G HA2 -0.032 3.820 3.960 -0.181 0.000 0.216 790 G HA3 -0.032 3.820 3.960 -0.181 0.000 0.216 790 G C 0.623 175.575 174.900 0.086 0.000 1.126 790 G CA 0.752 45.997 45.100 0.241 0.000 0.778 790 G HN 0.537 nan 8.290 nan 0.000 0.543 791 D N -0.409 120.058 120.400 0.111 0.000 2.431 791 D HA 0.178 4.709 4.640 -0.181 0.000 0.213 791 D C 0.535 176.845 176.300 0.016 0.000 1.130 791 D CA 0.005 54.034 54.000 0.048 0.000 0.834 791 D CB 0.789 41.641 40.800 0.087 0.000 0.985 791 D HN 0.083 nan 8.370 nan 0.000 0.504 792 S N 0.492 116.154 115.700 -0.063 0.000 2.578 792 S HA 0.711 5.073 4.470 -0.181 0.000 0.283 792 S C 0.322 174.856 174.600 -0.111 0.000 1.195 792 S CA -0.802 57.345 58.200 -0.088 0.000 1.050 792 S CB 2.064 65.119 63.200 -0.242 0.000 1.012 792 S HN 0.213 nan 8.310 nan 0.000 0.511 793 A N 0.780 123.606 122.820 0.009 0.000 2.272 793 A HA 0.719 4.930 4.320 -0.181 0.000 0.275 793 A C 0.307 177.916 177.584 0.040 0.000 1.096 793 A CA -0.548 51.504 52.037 0.024 0.000 0.822 793 A CB -0.293 18.827 19.000 0.200 0.000 1.088 793 A HN 1.328 nan 8.150 nan 0.000 0.495 794 C N -1.219 118.097 119.300 0.025 0.000 3.288 794 C HA 0.856 5.207 4.460 -0.181 0.000 0.318 794 C C -0.324 174.796 174.990 0.217 0.000 1.356 794 C CA -0.511 58.587 59.018 0.133 0.000 1.359 794 C CB 0.927 28.719 27.740 0.087 0.000 1.688 794 C HN 1.002 nan 8.230 nan 0.000 0.467 795 S N 0.490 116.407 115.700 0.361 0.000 2.513 795 S HA 0.850 5.211 4.470 -0.181 0.000 0.299 795 S C -1.328 173.562 174.600 0.484 0.000 1.087 795 S CA -0.534 57.953 58.200 0.478 0.000 1.012 795 S CB 1.200 64.733 63.200 0.555 0.000 1.044 795 S HN 0.965 nan 8.310 nan 0.000 0.485 796 L N 6.147 127.680 121.223 0.516 0.000 2.504 796 L HA 0.533 4.765 4.340 -0.181 0.000 0.265 796 L C -2.550 174.456 176.870 0.227 0.000 0.975 796 L CA -1.889 53.161 54.840 0.350 0.000 0.864 796 L CB 2.322 44.567 42.059 0.309 0.000 1.212 796 L HN 0.486 nan 8.230 nan 0.000 0.416 797 P HA 0.215 nan 4.420 nan 0.000 0.277 797 P C -0.595 176.917 177.300 0.354 0.000 1.271 797 P CA -0.408 62.775 63.100 0.137 0.000 0.795 797 P CB 0.698 32.385 31.700 -0.021 0.000 1.101 798 A N 0.661 123.639 122.820 0.263 0.000 2.555 798 A HA 0.027 4.238 4.320 -0.181 0.000 0.233 798 A C 0.560 178.349 177.584 0.341 0.000 1.060 798 A CA 0.267 52.470 52.037 0.277 0.000 0.759 798 A CB -0.975 18.091 19.000 0.110 0.000 0.995 798 A HN 0.767 nan 8.150 nan 0.000 0.506 799 Y N -0.046 120.270 120.300 0.027 0.000 2.481 799 Y HA 0.317 4.758 4.550 -0.182 0.000 0.247 799 Y C 1.314 177.071 175.900 -0.238 0.000 1.151 799 Y CA 0.551 58.550 58.100 -0.168 0.000 1.238 799 Y CB 0.202 38.220 38.460 -0.737 0.000 1.179 799 Y HN 0.657 nan 8.280 nan 0.000 0.524 800 T N -2.222 111.916 114.554 -0.694 0.000 3.254 800 T HA 0.267 4.509 4.350 -0.181 0.000 0.267 800 T C 0.373 174.894 174.700 -0.298 0.000 0.946 800 T CA -0.191 61.572 62.100 -0.561 0.000 0.991 800 T CB -0.681 67.760 68.868 -0.712 0.000 1.205 800 T HN 0.140 nan 8.240 nan 0.000 0.494 801 L N 4.286 125.363 121.223 -0.244 0.000 2.559 801 L HA 0.243 4.475 4.340 -0.181 0.000 0.282 801 L C 1.009 177.815 176.870 -0.106 0.000 1.232 801 L CA -0.199 54.553 54.840 -0.147 0.000 0.885 801 L CB 0.295 42.289 42.059 -0.108 0.000 1.131 801 L HN 0.573 nan 8.230 nan 0.000 0.498 802 S N 1.739 117.381 115.700 -0.096 0.000 2.585 802 S HA 0.043 4.405 4.470 -0.181 0.000 0.273 802 S C 0.568 175.129 174.600 -0.066 0.000 1.339 802 S CA -0.616 57.538 58.200 -0.077 0.000 1.028 802 S CB 1.700 64.855 63.200 -0.075 0.000 0.906 802 S HN 0.654 nan 8.310 nan 0.000 0.528 803 Q N 0.945 120.713 119.800 -0.054 0.000 2.119 803 Q HA -0.149 4.083 4.340 -0.181 0.000 0.201 803 Q C 2.072 178.037 176.000 -0.057 0.000 0.972 803 Q CA 2.191 57.965 55.803 -0.049 0.000 0.847 803 Q CB -0.424 28.291 28.738 -0.039 0.000 0.903 803 Q HN 0.964 nan 8.270 nan 0.000 0.433 804 E N -0.236 119.929 120.200 -0.059 0.000 2.070 804 E HA -0.234 4.008 4.350 -0.181 0.000 0.197 804 E C 1.902 178.453 176.600 -0.082 0.000 1.004 804 E CA 1.496 57.858 56.400 -0.063 0.000 0.805 804 E CB -0.334 29.332 29.700 -0.058 0.000 0.744 804 E HN 0.513 nan 8.360 nan 0.000 0.451 805 I N 0.645 121.160 120.570 -0.092 0.000 2.315 805 I HA -0.251 3.810 4.170 -0.181 0.000 0.248 805 I C 2.438 178.466 176.117 -0.147 0.000 1.117 805 I CA 1.281 62.508 61.300 -0.121 0.000 1.404 805 I CB -0.291 37.639 38.000 -0.116 0.000 1.071 805 I HN 0.347 nan 8.210 nan 0.000 0.419 806 Q N 0.251 119.982 119.800 -0.114 0.000 2.050 806 Q HA -0.241 3.990 4.340 -0.181 0.000 0.202 806 Q C 1.706 177.635 176.000 -0.118 0.000 0.980 806 Q CA 1.627 57.363 55.803 -0.112 0.000 0.840 806 Q CB -0.162 28.538 28.738 -0.063 0.000 0.898 806 Q HN 0.490 nan 8.270 nan 0.000 0.424 807 D N 0.140 120.485 120.400 -0.091 0.000 2.190 807 D HA -0.144 4.388 4.640 -0.181 0.000 0.200 807 D C 1.933 178.176 176.300 -0.095 0.000 0.992 807 D CA 1.102 55.057 54.000 -0.075 0.000 0.854 807 D CB 0.033 40.800 40.800 -0.056 0.000 0.936 807 D HN 0.110 nan 8.370 nan 0.000 0.462 808 V N 0.954 120.786 119.914 -0.137 0.000 2.379 808 V HA -0.193 3.819 4.120 -0.181 0.000 0.245 808 V C 2.587 178.545 176.094 -0.226 0.000 1.044 808 V CA 1.086 63.291 62.300 -0.158 0.000 1.036 808 V CB -0.346 31.369 31.823 -0.178 0.000 0.664 808 V HN 0.168 nan 8.190 nan 0.000 0.453 809 M N -0.677 118.701 119.600 -0.371 0.000 2.108 809 M HA -0.199 4.173 4.480 -0.181 0.000 0.261 809 M C 2.507 178.690 176.300 -0.196 0.000 1.066 809 M CA 1.861 56.779 55.300 -0.637 0.000 1.107 809 M CB -0.495 31.616 32.600 -0.814 0.000 1.356 809 M HN 0.214 nan 8.290 nan 0.000 0.406 810 R N -0.150 120.285 120.500 -0.109 0.000 2.094 810 R HA -0.222 4.009 4.340 -0.181 0.000 0.239 810 R C 2.265 178.571 176.300 0.010 0.000 1.137 810 R CA 1.879 57.970 56.100 -0.016 0.000 0.943 810 R CB -0.508 29.778 30.300 -0.022 0.000 0.850 810 R HN 0.493 nan 8.270 nan 0.000 0.433 811 Q N 0.533 120.326 119.800 -0.013 0.000 2.084 811 Q HA -0.236 3.996 4.340 -0.181 0.000 0.202 811 Q C 2.135 178.166 176.000 0.052 0.000 0.978 811 Q CA 1.604 57.418 55.803 0.018 0.000 0.844 811 Q CB 0.092 28.830 28.738 0.000 0.000 0.898 811 Q HN 0.407 nan 8.270 nan 0.000 0.426 812 Q N -0.696 119.134 119.800 0.049 0.000 2.096 812 Q HA -0.173 4.058 4.340 -0.181 0.000 0.204 812 Q C 2.142 178.254 176.000 0.187 0.000 0.982 812 Q CA 1.784 57.665 55.803 0.130 0.000 0.850 812 Q CB 0.035 28.881 28.738 0.179 0.000 0.901 812 Q HN 0.255 nan 8.270 nan 0.000 0.422 813 V N 0.778 120.826 119.914 0.223 0.000 2.219 813 V HA -0.380 3.632 4.120 -0.181 0.000 0.248 813 V C 2.319 178.438 176.094 0.041 0.000 1.053 813 V CA 2.390 64.787 62.300 0.162 0.000 1.009 813 V CB -0.841 31.074 31.823 0.153 0.000 0.636 813 V HN 0.479 nan 8.190 nan 0.000 0.445 814 Q N -0.141 119.667 119.800 0.012 0.000 2.082 814 Q HA -0.350 3.881 4.340 -0.181 0.000 0.211 814 Q C 2.282 178.279 176.000 -0.004 0.000 1.002 814 Q CA 2.604 58.367 55.803 -0.067 0.000 0.868 814 Q CB -0.166 28.604 28.738 0.053 0.000 0.931 814 Q HN 0.594 nan 8.270 nan 0.000 0.414 815 K N -0.080 120.388 120.400 0.113 0.000 2.020 815 K HA -0.179 4.033 4.320 -0.181 0.000 0.212 815 K C 2.082 178.759 176.600 0.128 0.000 1.050 815 K CA 1.826 58.211 56.287 0.162 0.000 0.929 815 K CB -0.231 32.340 32.500 0.119 0.000 0.714 815 K HN 0.229 nan 8.250 nan 0.000 0.443 816 L N 0.010 121.283 121.223 0.083 0.000 2.017 816 L HA -0.217 4.014 4.340 -0.181 0.000 0.208 816 L C 2.498 179.385 176.870 0.027 0.000 1.073 816 L CA 1.337 56.223 54.840 0.077 0.000 0.745 816 L CB -0.615 41.499 42.059 0.092 0.000 0.894 816 L HN 0.255 nan 8.230 nan 0.000 0.432 817 A N -0.149 122.623 122.820 -0.080 0.000 1.948 817 A HA -0.237 3.974 4.320 -0.181 0.000 0.220 817 A C 2.003 179.472 177.584 -0.192 0.000 1.177 817 A CA 1.900 53.821 52.037 -0.195 0.000 0.636 817 A CB -0.755 18.028 19.000 -0.361 0.000 0.815 817 A HN 0.326 nan 8.150 nan 0.000 0.449 818 F N -0.634 119.344 119.950 0.048 0.000 2.149 818 F HA 0.040 4.459 4.527 -0.179 0.000 0.294 818 F C 2.318 178.141 175.800 0.039 0.000 1.095 818 F CA 1.268 59.291 58.000 0.039 0.000 1.276 818 F CB -0.812 38.208 39.000 0.033 0.000 1.023 818 F HN 0.293 nan 8.300 nan 0.000 0.480 819 E N 0.991 121.328 120.200 0.227 0.000 2.058 819 E HA -0.187 4.055 4.350 -0.181 0.000 0.194 819 E C 1.935 178.604 176.600 0.115 0.000 0.997 819 E CA 1.563 58.052 56.400 0.149 0.000 0.801 819 E CB -0.585 29.188 29.700 0.120 0.000 0.746 819 E HN 0.419 nan 8.360 nan 0.000 0.450 820 L N -0.052 121.231 121.223 0.100 0.000 2.376 820 L HA 0.008 4.240 4.340 -0.181 0.000 0.219 820 L C 0.452 177.364 176.870 0.070 0.000 1.133 820 L CA 0.563 55.452 54.840 0.082 0.000 0.816 820 L CB -0.179 41.925 42.059 0.074 0.000 0.933 820 L HN 0.155 nan 8.230 nan 0.000 0.449 821 Q N -0.876 118.974 119.800 0.084 0.000 2.470 821 Q HA -0.131 4.101 4.340 -0.181 0.000 0.281 821 Q C -0.362 175.671 176.000 0.055 0.000 1.260 821 Q CA 0.149 56.003 55.803 0.085 0.000 0.815 821 Q CB -2.302 26.479 28.738 0.071 0.000 1.204 821 Q HN 0.232 nan 8.270 nan 0.000 0.444 822 V N 1.912 121.844 119.914 0.029 0.000 2.540 822 V HA 0.042 4.053 4.120 -0.181 0.000 0.297 822 V C 1.010 177.114 176.094 0.017 0.000 1.024 822 V CA 0.704 63.010 62.300 0.010 0.000 1.105 822 V CB 0.683 32.492 31.823 -0.023 0.000 0.938 822 V HN 0.159 nan 8.190 nan 0.000 0.482 823 R N 4.313 124.828 120.500 0.026 0.000 2.513 823 R HA 0.596 4.827 4.340 -0.181 0.000 0.283 823 R C 0.370 176.692 176.300 0.036 0.000 1.535 823 R CA 0.418 56.537 56.100 0.030 0.000 1.315 823 R CB 1.071 31.388 30.300 0.028 0.000 1.163 823 R HN 1.053 nan 8.270 nan 0.000 0.573 824 G N 1.056 109.884 108.800 0.047 0.000 2.250 824 G HA2 -0.135 3.717 3.960 -0.181 0.000 0.189 824 G HA3 -0.135 3.717 3.960 -0.181 0.000 0.189 824 G C -1.173 173.779 174.900 0.086 0.000 1.298 824 G CA -0.978 44.172 45.100 0.083 0.000 1.246 824 G HN 0.262 nan 8.290 nan 0.000 0.513 825 L N 1.821 123.126 121.223 0.136 0.000 2.395 825 L HA 0.763 4.994 4.340 -0.181 0.000 0.269 825 L C 0.937 177.844 176.870 0.062 0.000 1.133 825 L CA -0.226 54.669 54.840 0.092 0.000 0.812 825 L CB 1.251 43.361 42.059 0.084 0.000 1.125 825 L HN 0.894 nan 8.230 nan 0.000 0.452 826 M N 1.740 121.359 119.600 0.030 0.000 2.622 826 M HA 0.534 4.906 4.480 -0.181 0.000 0.276 826 M C -1.769 174.535 176.300 0.007 0.000 1.265 826 M CA -0.793 54.515 55.300 0.013 0.000 0.850 826 M CB 2.579 35.175 32.600 -0.006 0.000 1.720 826 M HN 0.527 nan 8.290 nan 0.000 0.465 827 N N 1.063 119.758 118.700 -0.008 0.000 2.264 827 N HA 0.670 5.302 4.740 -0.181 0.000 0.288 827 N C -2.460 173.012 175.510 -0.063 0.000 1.094 827 N CA -0.272 52.770 53.050 -0.014 0.000 0.817 827 N CB 3.026 41.516 38.487 0.006 0.000 1.604 827 N HN 0.677 nan 8.380 nan 0.000 0.473 828 V N 2.185 122.045 119.914 -0.090 0.000 2.709 828 V HA 0.441 4.453 4.120 -0.181 0.000 0.308 828 V C -0.701 175.212 176.094 -0.303 0.000 1.062 828 V CA -0.717 61.434 62.300 -0.248 0.000 0.901 828 V CB 1.879 33.504 31.823 -0.330 0.000 1.003 828 V HN 0.622 nan 8.190 nan 0.000 0.425 829 Q N 3.283 122.853 119.800 -0.384 0.000 2.331 829 Q HA 0.715 4.946 4.340 -0.181 0.000 0.267 829 Q C -1.631 174.137 176.000 -0.386 0.000 1.006 829 Q CA -0.271 55.371 55.803 -0.268 0.000 0.818 829 Q CB 2.468 31.134 28.738 -0.120 0.000 1.276 829 Q HN 0.638 nan 8.270 nan 0.000 0.450 830 F N 0.494 120.441 119.950 -0.005 0.000 2.618 830 F HA 0.824 5.244 4.527 -0.179 0.000 0.332 830 F C -0.198 175.592 175.800 -0.017 0.000 1.061 830 F CA -1.101 56.907 58.000 0.014 0.000 0.974 830 F CB 1.721 40.725 39.000 0.006 0.000 1.310 830 F HN 0.494 nan 8.300 nan 0.000 0.491 831 A N 0.891 123.879 122.820 0.281 0.000 2.375 831 A HA 0.722 4.934 4.320 -0.181 0.000 0.295 831 A C -1.803 175.902 177.584 0.202 0.000 1.066 831 A CA -0.626 51.497 52.037 0.143 0.000 0.722 831 A CB 1.058 20.080 19.000 0.037 0.000 1.206 831 A HN 0.479 nan 8.150 nan 0.000 0.435 832 V N 3.102 123.073 119.914 0.096 0.000 2.328 832 V HA 0.445 4.457 4.120 -0.181 0.000 0.278 832 V C 0.149 176.281 176.094 0.064 0.000 1.021 832 V CA -0.329 62.023 62.300 0.086 0.000 0.838 832 V CB 1.020 32.842 31.823 -0.001 0.000 0.999 832 V HN 0.813 nan 8.190 nan 0.000 0.447 833 K N 3.996 124.489 120.400 0.156 0.000 2.463 833 K HA 0.421 4.632 4.320 -0.181 0.000 0.255 833 K C 0.072 176.746 176.600 0.124 0.000 0.942 833 K CA -0.601 55.740 56.287 0.089 0.000 0.814 833 K CB 0.800 33.293 32.500 -0.011 0.000 1.122 833 K HN 0.795 nan 8.250 nan 0.000 0.425 834 N N 3.770 122.497 118.700 0.045 0.000 2.714 834 N HA -0.269 4.362 4.740 -0.181 0.000 0.253 834 N C -0.561 174.961 175.510 0.020 0.000 1.024 834 N CA 0.693 53.762 53.050 0.032 0.000 0.726 834 N CB -1.001 37.516 38.487 0.051 0.000 0.908 834 N HN 0.925 nan 8.380 nan 0.000 0.542 835 N N -0.655 118.043 118.700 -0.002 0.000 2.725 835 N HA -0.218 4.414 4.740 -0.181 0.000 0.249 835 N C -1.351 174.136 175.510 -0.039 0.000 1.103 835 N CA 1.283 54.315 53.050 -0.030 0.000 0.707 835 N CB -0.211 38.253 38.487 -0.039 0.000 1.043 835 N HN 0.574 nan 8.380 nan 0.000 0.553 836 E N 0.293 120.490 120.200 -0.005 0.000 2.224 836 E HA 0.298 4.540 4.350 -0.181 0.000 0.265 836 E C -0.561 175.975 176.600 -0.107 0.000 0.878 836 E CA -0.686 55.658 56.400 -0.093 0.000 0.759 836 E CB 2.482 32.124 29.700 -0.097 0.000 1.164 836 E HN -0.026 nan 8.360 nan 0.000 0.414 837 V N 4.384 124.160 119.914 -0.230 0.000 2.385 837 V HA 0.214 4.226 4.120 -0.181 0.000 0.269 837 V C -0.783 175.198 176.094 -0.189 0.000 1.043 837 V CA -0.269 61.940 62.300 -0.151 0.000 0.906 837 V CB -0.293 31.388 31.823 -0.236 0.000 0.995 837 V HN 0.517 nan 8.190 nan 0.000 0.467 838 Y N 4.207 124.574 120.300 0.111 0.000 2.409 838 Y HA 0.568 5.011 4.550 -0.179 0.000 0.339 838 Y C -0.073 175.973 175.900 0.244 0.000 1.033 838 Y CA -0.995 57.186 58.100 0.135 0.000 1.094 838 Y CB 1.755 40.255 38.460 0.067 0.000 1.210 838 Y HN 0.428 nan 8.280 nan 0.000 0.456 839 L N 4.170 125.588 121.223 0.327 0.000 2.260 839 L HA 0.333 4.564 4.340 -0.181 0.000 0.289 839 L C 0.290 177.265 176.870 0.176 0.000 1.057 839 L CA 0.551 55.518 54.840 0.211 0.000 0.811 839 L CB 0.161 42.325 42.059 0.175 0.000 1.184 839 L HN 0.790 nan 8.230 nan 0.000 0.429 840 I N 2.844 123.457 120.570 0.072 0.000 2.494 840 I HA 0.064 4.125 4.170 -0.181 0.000 0.250 840 I C 0.387 176.528 176.117 0.041 0.000 1.112 840 I CA 0.475 61.809 61.300 0.055 0.000 1.438 840 I CB 0.278 38.279 38.000 0.001 0.000 1.111 840 I HN 0.771 nan 8.210 nan 0.000 0.431 841 E N -0.720 119.450 120.200 -0.050 0.000 2.382 841 E HA 0.320 4.562 4.350 -0.181 0.000 0.280 841 E C -1.745 174.695 176.600 -0.268 0.000 1.161 841 E CA -0.740 55.530 56.400 -0.216 0.000 0.905 841 E CB 1.560 31.121 29.700 -0.231 0.000 1.268 841 E HN -0.214 nan 8.360 nan 0.000 0.426 842 V N 1.959 121.615 119.914 -0.430 0.000 2.577 842 V HA 0.492 4.504 4.120 -0.181 0.000 0.303 842 V C -1.070 174.879 176.094 -0.241 0.000 1.042 842 V CA -0.973 61.167 62.300 -0.267 0.000 0.872 842 V CB 1.786 33.519 31.823 -0.150 0.000 0.998 842 V HN 0.630 nan 8.190 nan 0.000 0.423 843 N N 5.908 124.527 118.700 -0.134 0.000 2.518 843 N HA 0.367 4.999 4.740 -0.181 0.000 0.254 843 N C -2.668 172.820 175.510 -0.037 0.000 0.979 843 N CA -1.428 51.575 53.050 -0.079 0.000 0.930 843 N CB 2.366 40.832 38.487 -0.035 0.000 1.152 843 N HN 0.340 nan 8.380 nan 0.000 0.505 844 P HA 0.122 nan 4.420 nan 0.000 0.235 844 P C -0.315 177.004 177.300 0.033 0.000 1.725 844 P CA 0.258 63.357 63.100 -0.001 0.000 0.894 844 P CB 0.046 31.742 31.700 -0.006 0.000 1.704 845 R N -1.816 118.715 120.500 0.051 0.000 3.015 845 R HA 0.803 5.035 4.340 -0.181 0.000 0.258 845 R C -0.919 175.446 176.300 0.107 0.000 1.172 845 R CA -1.260 54.902 56.100 0.104 0.000 1.003 845 R CB 0.249 30.610 30.300 0.103 0.000 1.326 845 R HN -0.191 nan 8.270 nan 0.000 0.449 846 A N 0.579 123.481 122.820 0.137 0.000 2.409 846 A HA 0.629 4.841 4.320 -0.181 0.000 0.267 846 A C -0.067 177.591 177.584 0.124 0.000 1.127 846 A CA -0.035 52.014 52.037 0.020 0.000 0.795 846 A CB 0.022 18.898 19.000 -0.207 0.000 1.061 846 A HN 0.730 nan 8.150 nan 0.000 0.502 847 A N 2.362 125.203 122.820 0.034 0.000 2.294 847 A HA 0.587 4.799 4.320 -0.181 0.000 0.330 847 A C 1.220 178.689 177.584 -0.192 0.000 1.133 847 A CA -0.440 51.625 52.037 0.047 0.000 0.836 847 A CB 0.418 19.441 19.000 0.038 0.000 1.190 847 A HN 1.042 nan 8.150 nan 0.000 0.492 848 R N -0.227 120.112 120.500 -0.268 0.000 2.341 848 R HA -0.091 4.141 4.340 -0.181 0.000 0.213 848 R C 0.747 176.883 176.300 -0.273 0.000 1.082 848 R CA 1.821 57.616 56.100 -0.508 0.000 1.017 848 R CB -0.948 29.123 30.300 -0.381 0.000 0.860 848 R HN 0.647 nan 8.270 nan 0.000 0.473 849 T N -1.807 112.668 114.554 -0.130 0.000 3.043 849 T HA 0.079 4.321 4.350 -0.181 0.000 0.263 849 T C 1.930 176.629 174.700 -0.001 0.000 1.094 849 T CA 0.457 62.542 62.100 -0.024 0.000 1.127 849 T CB -0.098 68.801 68.868 0.051 0.000 0.905 849 T HN 0.036 nan 8.240 nan 0.000 0.490 850 V N 2.924 122.787 119.914 -0.085 0.000 2.278 850 V HA -0.151 3.860 4.120 -0.181 0.000 0.251 850 V C -0.174 175.854 176.094 -0.110 0.000 1.062 850 V CA 2.028 64.279 62.300 -0.081 0.000 1.038 850 V CB -1.656 30.098 31.823 -0.115 0.000 0.646 850 V HN 0.391 nan 8.190 nan 0.000 0.447 851 P HA -0.169 nan 4.420 nan 0.000 0.216 851 P C 1.748 178.893 177.300 -0.258 0.000 1.153 851 P CA 1.502 64.282 63.100 -0.534 0.000 0.848 851 P CB -0.158 30.945 31.700 -0.994 0.000 0.787 852 F N 0.403 120.211 119.950 -0.236 0.000 2.102 852 F HA -0.191 4.230 4.527 -0.177 0.000 0.298 852 F C 1.922 177.698 175.800 -0.040 0.000 1.105 852 F CA 1.392 59.320 58.000 -0.120 0.000 1.239 852 F CB -0.839 38.108 39.000 -0.088 0.000 0.991 852 F HN -0.322 nan 8.300 nan 0.000 0.474 853 V N -0.058 119.773 119.914 -0.138 0.000 2.295 853 V HA -0.303 3.709 4.120 -0.181 0.000 0.246 853 V C 2.497 178.495 176.094 -0.160 0.000 1.049 853 V CA 2.118 64.303 62.300 -0.190 0.000 1.024 853 V CB -1.059 30.759 31.823 -0.009 0.000 0.648 853 V HN 0.405 nan 8.190 nan 0.000 0.447 854 S N -0.641 115.015 115.700 -0.074 0.000 2.387 854 S HA -0.259 4.102 4.470 -0.181 0.000 0.230 854 S C 2.051 176.668 174.600 0.029 0.000 1.035 854 S CA 1.781 59.987 58.200 0.009 0.000 1.014 854 S CB -0.283 62.989 63.200 0.120 0.000 0.836 854 S HN 0.430 nan 8.310 nan 0.000 0.466 855 K N 1.378 121.764 120.400 -0.023 0.000 2.116 855 K HA 0.271 4.483 4.320 -0.181 0.000 0.203 855 K C 2.060 178.714 176.600 0.091 0.000 1.052 855 K CA 0.953 57.276 56.287 0.060 0.000 0.952 855 K CB -0.558 31.917 32.500 -0.042 0.000 0.729 855 K HN 0.268 nan 8.250 nan 0.000 0.446 856 A N -0.105 122.620 122.820 -0.158 0.000 1.872 856 A HA -0.126 4.086 4.320 -0.181 0.000 0.214 856 A C 2.140 179.733 177.584 0.015 0.000 1.187 856 A CA 2.199 54.180 52.037 -0.093 0.000 0.614 856 A CB -1.004 17.747 19.000 -0.414 0.000 0.826 856 A HN 0.461 nan 8.150 nan 0.000 0.442 857 T N -4.732 109.757 114.554 -0.108 0.000 3.081 857 T HA 0.378 4.620 4.350 -0.181 0.000 0.255 857 T C 1.491 176.010 174.700 -0.302 0.000 1.113 857 T CA 1.167 63.170 62.100 -0.161 0.000 1.082 857 T CB 0.059 68.849 68.868 -0.130 0.000 0.939 857 T HN 1.717 nan 8.240 nan 0.000 0.506 858 G N 0.696 109.220 108.800 -0.460 0.000 2.184 858 G HA2 -0.229 3.622 3.960 -0.181 0.000 0.264 858 G HA3 -0.229 3.622 3.960 -0.181 0.000 0.264 858 G C 0.061 174.789 174.900 -0.286 0.000 0.975 858 G CA 0.106 44.668 45.100 -0.897 0.000 0.642 858 G HN 0.763 nan 8.290 nan 0.000 0.536 859 V N 2.263 122.091 119.914 -0.143 0.000 2.350 859 V HA 0.428 4.439 4.120 -0.181 0.000 0.276 859 V C -1.627 174.484 176.094 0.028 0.000 1.028 859 V CA -1.447 60.823 62.300 -0.050 0.000 0.860 859 V CB 1.675 33.470 31.823 -0.046 0.000 0.990 859 V HN 0.129 nan 8.190 nan 0.000 0.453 860 P HA 0.157 nan 4.420 nan 0.000 0.241 860 P C 1.195 178.578 177.300 0.138 0.000 1.760 860 P CA 0.044 63.227 63.100 0.138 0.000 1.081 860 P CB 0.188 31.916 31.700 0.046 0.000 1.975 861 L N 0.955 122.252 121.223 0.123 0.000 2.064 861 L HA -0.305 3.927 4.340 -0.181 0.000 0.216 861 L C 2.417 179.357 176.870 0.116 0.000 1.077 861 L CA 2.117 57.011 54.840 0.091 0.000 0.766 861 L CB -1.010 41.081 42.059 0.055 0.000 0.890 861 L HN 0.196 nan 8.230 nan 0.000 0.435 862 A N -0.045 122.871 122.820 0.160 0.000 1.873 862 A HA -0.197 4.015 4.320 -0.181 0.000 0.215 862 A C 2.326 180.080 177.584 0.284 0.000 1.186 862 A CA 1.619 53.746 52.037 0.150 0.000 0.616 862 A CB -0.297 18.775 19.000 0.120 0.000 0.823 862 A HN 0.349 nan 8.150 nan 0.000 0.442 863 K N -0.319 120.211 120.400 0.216 0.000 1.985 863 K HA -0.091 4.121 4.320 -0.181 0.000 0.210 863 K C 1.942 178.610 176.600 0.113 0.000 1.047 863 K CA 1.525 57.886 56.287 0.123 0.000 0.932 863 K CB -0.651 31.855 32.500 0.011 0.000 0.716 863 K HN 0.289 nan 8.250 nan 0.000 0.439 864 V N 1.839 121.811 119.914 0.096 0.000 2.252 864 V HA -0.306 3.705 4.120 -0.181 0.000 0.249 864 V C 2.486 178.638 176.094 0.097 0.000 1.056 864 V CA 2.222 64.570 62.300 0.079 0.000 1.022 864 V CB -0.903 30.959 31.823 0.064 0.000 0.641 864 V HN 0.417 nan 8.190 nan 0.000 0.445 865 A N -0.314 122.589 122.820 0.139 0.000 1.972 865 A HA -0.075 4.137 4.320 -0.181 0.000 0.219 865 A C 2.396 180.071 177.584 0.152 0.000 1.169 865 A CA 2.030 54.163 52.037 0.161 0.000 0.635 865 A CB -0.692 18.446 19.000 0.229 0.000 0.810 865 A HN 0.603 nan 8.150 nan 0.000 0.446 866 A N 0.379 123.306 122.820 0.177 0.000 1.858 866 A HA -0.182 4.030 4.320 -0.181 0.000 0.216 866 A C 2.198 179.775 177.584 -0.011 0.000 1.190 866 A CA 1.520 53.580 52.037 0.039 0.000 0.617 866 A CB -0.533 18.503 19.000 0.060 0.000 0.827 866 A HN 0.567 nan 8.150 nan 0.000 0.443 867 R N -0.595 119.925 120.500 0.033 0.000 2.127 867 R HA -0.097 4.135 4.340 -0.181 0.000 0.238 867 R C 1.893 178.212 176.300 0.031 0.000 1.134 867 R CA 1.387 57.509 56.100 0.037 0.000 0.975 867 R CB -0.650 29.686 30.300 0.059 0.000 0.865 867 R HN 0.398 nan 8.270 nan 0.000 0.447 868 V N 1.354 121.289 119.914 0.035 0.000 2.379 868 V HA -0.204 3.807 4.120 -0.181 0.000 0.245 868 V C 2.253 178.354 176.094 0.011 0.000 1.044 868 V CA 1.680 64.000 62.300 0.033 0.000 1.036 868 V CB -0.332 31.519 31.823 0.046 0.000 0.664 868 V HN 0.316 nan 8.190 nan 0.000 0.453 869 M N 0.172 119.763 119.600 -0.016 0.000 2.229 869 M HA -0.057 4.314 4.480 -0.181 0.000 0.264 869 M C 2.047 178.302 176.300 -0.076 0.000 1.063 869 M CA 1.870 57.138 55.300 -0.053 0.000 1.114 869 M CB -0.480 32.056 32.600 -0.107 0.000 1.387 869 M HN 0.340 nan 8.290 nan 0.000 0.420 870 A N -0.109 122.658 122.820 -0.089 0.000 2.251 870 A HA 0.433 4.645 4.320 -0.181 0.000 0.209 870 A C 1.643 179.231 177.584 0.007 0.000 1.187 870 A CA 0.792 52.760 52.037 -0.114 0.000 0.823 870 A CB -0.473 18.345 19.000 -0.304 0.000 0.846 870 A HN 0.650 nan 8.150 nan 0.000 0.486 871 G N -0.854 107.959 108.800 0.022 0.000 2.192 871 G HA2 -0.187 3.664 3.960 -0.181 0.000 0.193 871 G HA3 -0.187 3.664 3.960 -0.181 0.000 0.193 871 G C 0.203 175.137 174.900 0.056 0.000 0.999 871 G CA 0.182 45.309 45.100 0.046 0.000 0.659 871 G HN 0.556 nan 8.290 nan 0.000 0.503 872 K N 2.098 122.533 120.400 0.058 0.000 2.356 872 K HA 0.528 4.740 4.320 -0.181 0.000 0.243 872 K C 1.238 177.866 176.600 0.047 0.000 1.072 872 K CA 0.295 56.615 56.287 0.056 0.000 1.014 872 K CB 0.158 32.698 32.500 0.067 0.000 1.523 872 K HN 0.590 nan 8.250 nan 0.000 0.455 873 S N 2.743 118.469 115.700 0.044 0.000 2.525 873 S HA -0.140 4.222 4.470 -0.181 0.000 0.282 873 S C 1.346 175.972 174.600 0.042 0.000 1.324 873 S CA -0.028 58.199 58.200 0.045 0.000 1.025 873 S CB 0.337 63.564 63.200 0.044 0.000 0.820 873 S HN 0.619 nan 8.310 nan 0.000 0.514 874 L N 2.161 123.410 121.223 0.044 0.000 2.046 874 L HA -0.054 4.178 4.340 -0.181 0.000 0.208 874 L C 3.059 179.949 176.870 0.033 0.000 1.077 874 L CA 1.646 56.509 54.840 0.039 0.000 0.747 874 L CB -1.157 40.927 42.059 0.040 0.000 0.896 874 L HN 0.947 nan 8.230 nan 0.000 0.432 875 A N -0.023 122.818 122.820 0.035 0.000 1.908 875 A HA -0.251 3.961 4.320 -0.181 0.000 0.218 875 A C 2.191 179.790 177.584 0.025 0.000 1.181 875 A CA 1.878 53.932 52.037 0.029 0.000 0.627 875 A CB -0.501 18.517 19.000 0.030 0.000 0.818 875 A HN 0.450 nan 8.150 nan 0.000 0.445 876 E N -0.342 119.874 120.200 0.027 0.000 2.110 876 E HA -0.218 4.023 4.350 -0.181 0.000 0.193 876 E C 2.231 178.845 176.600 0.023 0.000 0.988 876 E CA 1.448 57.863 56.400 0.025 0.000 0.804 876 E CB -0.148 29.569 29.700 0.029 0.000 0.745 876 E HN 0.763 nan 8.360 nan 0.000 0.458 877 Q N -0.926 118.890 119.800 0.026 0.000 2.311 877 Q HA 0.037 4.268 4.340 -0.181 0.000 0.203 877 Q C 1.081 177.091 176.000 0.017 0.000 0.954 877 Q CA 0.662 56.479 55.803 0.024 0.000 0.885 877 Q CB 0.569 29.324 28.738 0.029 0.000 0.963 877 Q HN 0.360 nan 8.270 nan 0.000 0.471 878 G N 0.904 109.713 108.800 0.017 0.000 2.171 878 G HA2 -0.205 3.646 3.960 -0.181 0.000 0.238 878 G HA3 -0.205 3.646 3.960 -0.181 0.000 0.238 878 G C -0.205 174.700 174.900 0.009 0.000 1.039 878 G CA 0.057 45.164 45.100 0.011 0.000 0.759 878 G HN 0.190 nan 8.290 nan 0.000 0.501 879 V N 0.818 120.740 119.914 0.013 0.000 2.380 879 V HA 0.609 4.621 4.120 -0.181 0.000 0.272 879 V C 0.780 176.882 176.094 0.014 0.000 1.011 879 V CA 0.330 62.636 62.300 0.010 0.000 0.826 879 V CB 0.901 32.731 31.823 0.012 0.000 1.040 879 V HN 0.617 nan 8.190 nan 0.000 0.441 880 T N 0.239 114.799 114.554 0.010 0.000 3.010 880 T HA 0.199 4.441 4.350 -0.181 0.000 0.252 880 T C 0.533 175.239 174.700 0.010 0.000 0.963 880 T CA -0.286 61.823 62.100 0.016 0.000 0.952 880 T CB 0.304 69.183 68.868 0.018 0.000 1.182 880 T HN 0.587 nan 8.240 nan 0.000 0.495 881 K N 2.372 122.772 120.400 0.001 0.000 2.143 881 K HA 0.528 4.739 4.320 -0.181 0.000 0.272 881 K C -0.335 176.257 176.600 -0.013 0.000 1.001 881 K CA -0.722 55.562 56.287 -0.005 0.000 0.915 881 K CB 1.705 34.200 32.500 -0.008 0.000 1.047 881 K HN 0.282 nan 8.250 nan 0.000 0.458 882 E N 2.634 122.826 120.200 -0.014 0.000 2.344 882 E HA 0.063 4.304 4.350 -0.181 0.000 0.270 882 E C -0.922 175.656 176.600 -0.038 0.000 1.021 882 E CA -0.687 55.700 56.400 -0.021 0.000 0.887 882 E CB 0.910 30.601 29.700 -0.014 0.000 0.997 882 E HN 0.391 nan 8.360 nan 0.000 0.429 883 V N 6.342 126.225 119.914 -0.051 0.000 2.465 883 V HA 0.252 4.264 4.120 -0.181 0.000 0.279 883 V C 0.234 176.271 176.094 -0.096 0.000 1.045 883 V CA -0.513 61.741 62.300 -0.077 0.000 0.938 883 V CB 1.095 32.862 31.823 -0.093 0.000 0.986 883 V HN 0.623 nan 8.190 nan 0.000 0.467 884 I N 6.369 126.870 120.570 -0.115 0.000 2.411 884 I HA 0.396 4.457 4.170 -0.181 0.000 0.284 884 I C -2.355 173.631 176.117 -0.219 0.000 1.012 884 I CA -1.819 59.393 61.300 -0.148 0.000 1.119 884 I CB 1.885 39.816 38.000 -0.116 0.000 1.261 884 I HN 0.436 nan 8.210 nan 0.000 0.448 885 P HA 0.292 nan 4.420 nan 0.000 0.274 885 P C -2.092 174.880 177.300 -0.547 0.000 1.237 885 P CA -1.145 61.624 63.100 -0.552 0.000 0.793 885 P CB 0.179 31.321 31.700 -0.930 0.000 0.977 886 P HA 0.015 nan 4.420 nan 0.000 0.227 886 P C -0.052 177.100 177.300 -0.248 0.000 1.161 886 P CA 1.055 63.986 63.100 -0.281 0.000 0.788 886 P CB -0.090 31.564 31.700 -0.077 0.000 0.822 887 Y N -2.912 117.342 120.300 -0.077 0.000 2.654 887 Y HA 0.628 5.069 4.550 -0.181 0.000 0.327 887 Y C -0.153 175.681 175.900 -0.110 0.000 1.122 887 Y CA -2.031 56.045 58.100 -0.040 0.000 1.227 887 Y CB -0.084 38.391 38.460 0.025 0.000 1.370 887 Y HN -0.323 nan 8.280 nan 0.000 0.528 888 Y N 0.303 120.791 120.300 0.312 0.000 2.320 888 Y HA 0.501 4.942 4.550 -0.181 0.000 0.334 888 Y C -0.227 175.857 175.900 0.306 0.000 1.055 888 Y CA -0.237 58.017 58.100 0.258 0.000 1.143 888 Y CB 1.852 40.456 38.460 0.240 0.000 1.193 888 Y HN 0.581 nan 8.280 nan 0.000 0.477 889 S N 2.950 118.918 115.700 0.446 0.000 2.566 889 S HA 0.554 4.916 4.470 -0.181 0.000 0.324 889 S C -1.019 173.917 174.600 0.560 0.000 1.081 889 S CA -0.660 57.775 58.200 0.392 0.000 1.105 889 S CB 0.733 64.029 63.200 0.161 0.000 0.981 889 S HN 0.340 nan 8.310 nan 0.000 0.464 890 V N 4.792 124.962 119.914 0.426 0.000 2.448 890 V HA 0.477 4.489 4.120 -0.181 0.000 0.295 890 V C 0.029 176.188 176.094 0.108 0.000 1.025 890 V CA -0.766 61.693 62.300 0.265 0.000 0.859 890 V CB 1.718 33.584 31.823 0.071 0.000 0.988 890 V HN 0.684 nan 8.190 nan 0.000 0.431 891 K N 3.882 124.161 120.400 -0.202 0.000 2.235 891 K HA 0.580 4.792 4.320 -0.181 0.000 0.266 891 K C -0.827 175.611 176.600 -0.270 0.000 0.980 891 K CA -0.422 55.607 56.287 -0.429 0.000 0.849 891 K CB 1.756 33.585 32.500 -1.118 0.000 1.098 891 K HN 0.715 nan 8.250 nan 0.000 0.445 892 E N 3.011 123.077 120.200 -0.222 0.000 2.244 892 E HA 0.306 4.547 4.350 -0.181 0.000 0.266 892 E C -1.156 175.356 176.600 -0.147 0.000 0.914 892 E CA -0.871 55.414 56.400 -0.191 0.000 0.794 892 E CB 1.699 31.241 29.700 -0.264 0.000 1.210 892 E HN 0.404 nan 8.360 nan 0.000 0.414 893 V N 1.265 121.115 119.914 -0.106 0.000 2.966 893 V HA 0.837 4.849 4.120 -0.181 0.000 0.317 893 V C -0.278 175.775 176.094 -0.068 0.000 1.070 893 V CA -0.604 61.645 62.300 -0.085 0.000 1.008 893 V CB 1.523 33.304 31.823 -0.071 0.000 1.070 893 V HN 0.582 nan 8.190 nan 0.000 0.457 894 V N 1.264 121.138 119.914 -0.067 0.000 2.448 894 V HA 0.752 4.763 4.120 -0.181 0.000 0.295 894 V C -0.575 175.465 176.094 -0.091 0.000 1.025 894 V CA -0.613 61.648 62.300 -0.064 0.000 0.859 894 V CB 0.929 32.719 31.823 -0.055 0.000 0.988 894 V HN 0.869 nan 8.190 nan 0.000 0.431 895 L N 6.044 127.198 121.223 -0.116 0.000 2.331 895 L HA 0.640 4.872 4.340 -0.181 0.000 0.275 895 L C -1.539 175.167 176.870 -0.272 0.000 1.022 895 L CA -1.429 53.251 54.840 -0.266 0.000 0.812 895 L CB 2.441 44.254 42.059 -0.409 0.000 1.257 895 L HN 0.465 nan 8.230 nan 0.000 0.435 896 P HA 0.060 nan 4.420 nan 0.000 0.255 896 P C 1.241 178.424 177.300 -0.195 0.000 1.248 896 P CA 0.170 63.120 63.100 -0.249 0.000 0.807 896 P CB 0.081 31.681 31.700 -0.167 0.000 1.150 897 F N 2.714 122.709 119.950 0.075 0.000 2.111 897 F HA -0.256 4.150 4.527 -0.202 0.000 0.300 897 F C 2.138 177.929 175.800 -0.015 0.000 1.088 897 F CA 1.645 59.710 58.000 0.108 0.000 1.243 897 F CB -2.057 37.036 39.000 0.155 0.000 0.996 897 F HN 0.136 nan 8.300 nan 0.000 0.483 898 N N 0.639 119.380 118.700 0.069 0.000 2.519 898 N HA -0.175 4.457 4.740 -0.181 0.000 0.186 898 N C 1.129 176.528 175.510 -0.186 0.000 1.062 898 N CA 0.984 54.017 53.050 -0.029 0.000 0.910 898 N CB -0.425 38.043 38.487 -0.032 0.000 0.958 898 N HN 0.279 nan 8.380 nan 0.000 0.445 899 K N -0.231 119.914 120.400 -0.424 0.000 2.361 899 K HA 0.089 4.301 4.320 -0.181 0.000 0.196 899 K C -0.338 175.718 176.600 -0.907 0.000 1.039 899 K CA 0.262 56.078 56.287 -0.785 0.000 1.001 899 K CB 0.189 31.932 32.500 -1.261 0.000 0.795 899 K HN 0.235 nan 8.250 nan 0.000 0.495 900 F N 1.110 121.032 119.950 -0.047 0.000 2.660 900 F HA 0.288 4.733 4.527 -0.137 0.000 0.352 900 F C -1.926 173.915 175.800 0.068 0.000 1.257 900 F CA -2.575 55.431 58.000 0.010 0.000 1.200 900 F CB 1.297 40.276 39.000 -0.035 0.000 1.473 900 F HN -0.178 nan 8.300 nan 0.000 0.561 901 P HA -0.101 nan 4.420 nan 0.000 0.219 901 P C 1.738 179.100 177.300 0.103 0.000 1.146 901 P CA 1.229 64.389 63.100 0.100 0.000 0.808 901 P CB 0.264 31.985 31.700 0.034 0.000 0.779 902 G N -0.637 108.243 108.800 0.132 0.000 2.776 902 G HA2 0.066 3.918 3.960 -0.181 0.000 0.209 902 G HA3 0.066 3.918 3.960 -0.181 0.000 0.209 902 G C 0.376 175.344 174.900 0.114 0.000 1.145 902 G CA 0.044 45.205 45.100 0.101 0.000 0.791 902 G HN 0.194 nan 8.290 nan 0.000 0.530 903 V N 0.442 120.458 119.914 0.170 0.000 2.617 903 V HA 0.242 4.253 4.120 -0.181 0.000 0.298 903 V C -0.462 175.663 176.094 0.051 0.000 1.048 903 V CA -1.102 61.304 62.300 0.177 0.000 0.964 903 V CB 1.980 34.027 31.823 0.373 0.000 1.004 903 V HN 0.094 nan 8.190 nan 0.000 0.466 904 D N 5.432 125.817 120.400 -0.026 0.000 2.352 904 D HA 0.205 4.737 4.640 -0.181 0.000 0.245 904 D C -2.050 173.998 176.300 -0.421 0.000 1.224 904 D CA -2.047 51.863 54.000 -0.149 0.000 0.879 904 D CB 1.347 42.091 40.800 -0.093 0.000 1.057 904 D HN 0.262 nan 8.370 nan 0.000 0.491 905 P HA 0.097 nan 4.420 nan 0.000 0.232 905 P C -0.510 176.297 177.300 -0.821 0.000 1.738 905 P CA -0.153 62.111 63.100 -1.394 0.000 0.948 905 P CB -0.497 30.930 31.700 -0.455 0.000 1.943 906 L N 0.527 121.391 121.223 -0.597 0.000 2.365 906 L HA 0.442 4.674 4.340 -0.181 0.000 0.273 906 L C -0.465 176.433 176.870 0.047 0.000 1.000 906 L CA -1.198 53.562 54.840 -0.135 0.000 0.819 906 L CB 1.493 43.500 42.059 -0.086 0.000 1.284 906 L HN -0.142 nan 8.230 nan 0.000 0.418 907 L N 4.095 125.395 121.223 0.129 0.000 2.476 907 L HA 0.730 4.961 4.340 -0.181 0.000 0.264 907 L C 0.828 177.772 176.870 0.123 0.000 1.224 907 L CA 0.367 55.309 54.840 0.171 0.000 0.821 907 L CB 0.218 42.374 42.059 0.162 0.000 1.101 907 L HN 0.915 nan 8.230 nan 0.000 0.488 908 G N 0.038 108.915 108.800 0.128 0.000 2.428 908 G HA2 0.316 4.167 3.960 -0.181 0.000 0.304 908 G HA3 0.316 4.167 3.960 -0.181 0.000 0.304 908 G C -2.727 172.239 174.900 0.111 0.000 1.303 908 G CA -0.382 44.771 45.100 0.087 0.000 0.825 908 G HN 0.304 nan 8.290 nan 0.000 0.484 909 P HA 0.072 nan 4.420 nan 0.000 0.237 909 P C 0.269 177.673 177.300 0.173 0.000 1.178 909 P CA 0.844 64.007 63.100 0.105 0.000 0.766 909 P CB 0.405 32.115 31.700 0.018 0.000 0.876 910 E N 0.123 120.373 120.200 0.083 0.000 2.166 910 E HA 0.316 4.557 4.350 -0.181 0.000 0.275 910 E C -0.561 175.960 176.600 -0.133 0.000 0.941 910 E CA -1.003 55.386 56.400 -0.018 0.000 0.784 910 E CB 0.858 30.517 29.700 -0.069 0.000 1.115 910 E HN -0.114 nan 8.360 nan 0.000 0.399 911 M N 4.619 123.943 119.600 -0.460 0.000 2.219 911 M HA 0.152 4.523 4.480 -0.181 0.000 0.353 911 M C 0.074 176.229 176.300 -0.241 0.000 1.304 911 M CA 0.415 55.428 55.300 -0.478 0.000 1.115 911 M CB 0.381 32.454 32.600 -0.878 0.000 1.664 911 M HN 0.556 nan 8.290 nan 0.000 0.459 912 R N 1.339 121.763 120.500 -0.126 0.000 2.521 912 R HA 0.180 4.412 4.340 -0.181 0.000 0.289 912 R C 0.039 176.320 176.300 -0.032 0.000 0.936 912 R CA 0.096 56.153 56.100 -0.072 0.000 1.089 912 R CB 0.707 30.998 30.300 -0.014 0.000 1.348 912 R HN 0.834 nan 8.270 nan 0.000 0.536 913 S N -0.731 114.927 115.700 -0.070 0.000 2.585 913 S HA 0.064 4.425 4.470 -0.181 0.000 0.273 913 S C 1.175 175.753 174.600 -0.037 0.000 1.339 913 S CA 0.102 58.259 58.200 -0.073 0.000 1.028 913 S CB 1.555 64.715 63.200 -0.067 0.000 0.906 913 S HN 0.277 nan 8.310 nan 0.000 0.528 914 T N -0.877 113.652 114.554 -0.041 0.000 3.034 914 T HA 0.483 4.725 4.350 -0.181 0.000 0.248 914 T C 0.847 175.531 174.700 -0.026 0.000 1.040 914 T CA 0.269 62.356 62.100 -0.022 0.000 1.107 914 T CB -0.271 68.581 68.868 -0.026 0.000 0.932 914 T HN 1.041 nan 8.240 nan 0.000 0.474 915 G N 0.581 109.356 108.800 -0.041 0.000 2.788 915 G HA2 0.647 4.499 3.960 -0.181 0.000 0.293 915 G HA3 0.647 4.499 3.960 -0.181 0.000 0.293 915 G C -1.961 172.902 174.900 -0.062 0.000 1.392 915 G CA -0.951 44.123 45.100 -0.043 0.000 0.810 915 G HN 0.546 nan 8.290 nan 0.000 0.508 916 E N -2.107 118.053 120.200 -0.066 0.000 2.449 916 E HA 0.700 4.941 4.350 -0.181 0.000 0.278 916 E C -1.031 175.526 176.600 -0.070 0.000 0.992 916 E CA -1.040 55.308 56.400 -0.087 0.000 0.807 916 E CB 2.273 31.901 29.700 -0.120 0.000 1.350 916 E HN 0.968 nan 8.360 nan 0.000 0.462 917 V N -1.917 117.947 119.914 -0.083 0.000 3.141 917 V HA 0.747 4.759 4.120 -0.181 0.000 0.312 917 V C -0.626 175.444 176.094 -0.039 0.000 1.157 917 V CA -1.114 61.152 62.300 -0.057 0.000 1.041 917 V CB 1.878 33.659 31.823 -0.070 0.000 1.071 917 V HN 0.915 nan 8.190 nan 0.000 0.441 918 M N 1.654 121.261 119.600 0.012 0.000 2.393 918 M HA 0.831 5.202 4.480 -0.181 0.000 0.299 918 M C -0.449 175.874 176.300 0.039 0.000 1.103 918 M CA -0.237 55.122 55.300 0.099 0.000 0.910 918 M CB 1.992 34.726 32.600 0.223 0.000 1.659 918 M HN 1.189 nan 8.290 nan 0.000 0.445 919 G N 3.212 112.042 108.800 0.049 0.000 2.530 919 G HA2 0.650 4.502 3.960 -0.181 0.000 0.316 919 G HA3 0.650 4.502 3.960 -0.181 0.000 0.316 919 G C -1.787 173.147 174.900 0.056 0.000 1.298 919 G CA -0.461 44.634 45.100 -0.008 0.000 0.948 919 G HN 0.590 nan 8.290 nan 0.000 0.486 920 V N 1.338 121.265 119.914 0.022 0.000 2.448 920 V HA 0.912 4.924 4.120 -0.181 0.000 0.295 920 V C 0.572 176.694 176.094 0.046 0.000 1.025 920 V CA -0.109 62.215 62.300 0.040 0.000 0.859 920 V CB 1.363 33.128 31.823 -0.097 0.000 0.988 920 V HN 1.106 nan 8.190 nan 0.000 0.431 921 G N 3.303 112.191 108.800 0.147 0.000 2.690 921 G HA2 0.519 4.371 3.960 -0.181 0.000 0.291 921 G HA3 0.519 4.371 3.960 -0.181 0.000 0.291 921 G C -0.008 175.042 174.900 0.251 0.000 1.403 921 G CA -0.761 44.423 45.100 0.140 0.000 0.864 921 G HN 0.555 nan 8.290 nan 0.000 0.480 922 R N -0.901 119.715 120.500 0.193 0.000 2.092 922 R HA 0.068 4.300 4.340 -0.181 0.000 0.231 922 R C 1.338 177.833 176.300 0.324 0.000 1.119 922 R CA 1.552 57.785 56.100 0.221 0.000 0.970 922 R CB -0.201 30.184 30.300 0.142 0.000 0.864 922 R HN 0.608 nan 8.270 nan 0.000 0.440 923 T N -3.408 111.308 114.554 0.270 0.000 2.912 923 T HA 0.210 4.452 4.350 -0.181 0.000 0.288 923 T C 0.530 175.275 174.700 0.075 0.000 1.030 923 T CA -0.934 61.308 62.100 0.238 0.000 1.020 923 T CB 1.692 70.634 68.868 0.124 0.000 1.056 923 T HN 0.100 nan 8.240 nan 0.000 0.480 924 F N 2.125 121.790 119.950 -0.476 0.000 2.126 924 F HA 0.043 4.461 4.527 -0.182 0.000 0.299 924 F C 2.430 178.109 175.800 -0.201 0.000 1.096 924 F CA 1.819 59.441 58.000 -0.630 0.000 1.255 924 F CB -0.750 37.739 39.000 -0.852 0.000 0.997 924 F HN 0.756 nan 8.300 nan 0.000 0.479 925 A N -0.066 122.688 122.820 -0.111 0.000 1.940 925 A HA -0.254 3.958 4.320 -0.181 0.000 0.219 925 A C 2.268 179.764 177.584 -0.146 0.000 1.176 925 A CA 1.888 53.845 52.037 -0.133 0.000 0.631 925 A CB -0.984 18.029 19.000 0.023 0.000 0.814 925 A HN 0.634 nan 8.150 nan 0.000 0.446 926 E N -0.326 119.823 120.200 -0.086 0.000 2.072 926 E HA -0.041 4.200 4.350 -0.181 0.000 0.190 926 E C 2.161 178.712 176.600 -0.081 0.000 0.982 926 E CA 0.800 57.169 56.400 -0.052 0.000 0.803 926 E CB -0.209 29.495 29.700 0.006 0.000 0.755 926 E HN 0.535 nan 8.360 nan 0.000 0.453 927 A N 0.675 123.439 122.820 -0.093 0.000 1.877 927 A HA -0.170 4.042 4.320 -0.181 0.000 0.216 927 A C 1.981 179.454 177.584 -0.184 0.000 1.186 927 A CA 1.145 53.136 52.037 -0.076 0.000 0.620 927 A CB -0.917 18.107 19.000 0.041 0.000 0.822 927 A HN 0.476 nan 8.150 nan 0.000 0.443 928 F N 0.703 120.350 119.950 -0.505 0.000 2.216 928 F HA -0.043 4.374 4.527 -0.182 0.000 0.300 928 F C 2.468 178.088 175.800 -0.300 0.000 1.085 928 F CA 1.084 58.785 58.000 -0.499 0.000 1.326 928 F CB -0.066 38.429 39.000 -0.841 0.000 1.027 928 F HN 0.254 nan 8.300 nan 0.000 0.497 929 A N -0.225 122.504 122.820 -0.151 0.000 1.968 929 A HA -0.147 4.065 4.320 -0.181 0.000 0.217 929 A C 2.169 179.625 177.584 -0.212 0.000 1.169 929 A CA 1.537 53.484 52.037 -0.150 0.000 0.638 929 A CB -0.475 18.469 19.000 -0.093 0.000 0.812 929 A HN 0.395 nan 8.150 nan 0.000 0.446 930 K N -0.314 119.970 120.400 -0.193 0.000 2.062 930 K HA 0.064 4.276 4.320 -0.181 0.000 0.205 930 K C 2.290 178.768 176.600 -0.202 0.000 1.051 930 K CA 1.012 57.201 56.287 -0.164 0.000 0.941 930 K CB -0.266 32.169 32.500 -0.108 0.000 0.719 930 K HN 0.401 nan 8.250 nan 0.000 0.440 931 A N 1.120 123.772 122.820 -0.279 0.000 1.933 931 A HA -0.248 3.963 4.320 -0.181 0.000 0.218 931 A C 2.114 179.473 177.584 -0.376 0.000 1.175 931 A CA 1.532 53.382 52.037 -0.312 0.000 0.628 931 A CB -0.506 18.263 19.000 -0.385 0.000 0.814 931 A HN 0.366 nan 8.150 nan 0.000 0.444 932 Q N -0.966 118.518 119.800 -0.526 0.000 2.050 932 Q HA -0.172 4.060 4.340 -0.181 0.000 0.202 932 Q C 1.989 177.851 176.000 -0.229 0.000 0.980 932 Q CA 1.698 57.241 55.803 -0.433 0.000 0.840 932 Q CB -0.237 28.210 28.738 -0.485 0.000 0.898 932 Q HN 0.528 nan 8.270 nan 0.000 0.424 933 L N 0.282 121.385 121.223 -0.200 0.000 2.017 933 L HA 0.000 4.232 4.340 -0.181 0.000 0.208 933 L C 2.162 178.985 176.870 -0.079 0.000 1.073 933 L CA 2.410 57.176 54.840 -0.124 0.000 0.745 933 L CB -1.128 40.846 42.059 -0.141 0.000 0.894 933 L HN 0.300 nan 8.230 nan 0.000 0.432 934 G N -1.309 107.430 108.800 -0.102 0.000 2.469 934 G HA2 -0.338 3.514 3.960 -0.181 0.000 0.220 934 G HA3 -0.338 3.514 3.960 -0.181 0.000 0.220 934 G C 1.514 176.378 174.900 -0.061 0.000 1.136 934 G CA 1.057 46.114 45.100 -0.070 0.000 0.759 934 G HN 0.596 nan 8.290 nan 0.000 0.562 935 S N -0.387 115.261 115.700 -0.086 0.000 2.720 935 S HA 0.026 4.388 4.470 -0.181 0.000 0.222 935 S C 1.073 175.657 174.600 -0.027 0.000 0.958 935 S CA 0.800 58.961 58.200 -0.066 0.000 0.943 935 S CB -0.712 62.434 63.200 -0.091 0.000 0.779 935 S HN 0.604 nan 8.310 nan 0.000 0.526 936 N N 0.235 118.928 118.700 -0.011 0.000 2.818 936 N HA -0.195 4.437 4.740 -0.181 0.000 0.250 936 N C -0.294 175.246 175.510 0.049 0.000 1.108 936 N CA 0.586 53.649 53.050 0.020 0.000 0.745 936 N CB -1.637 36.858 38.487 0.014 0.000 1.104 936 N HN 0.588 nan 8.380 nan 0.000 0.557 937 S N -0.183 115.544 115.700 0.046 0.000 2.562 937 S HA 0.195 4.556 4.470 -0.181 0.000 0.281 937 S C 1.448 176.112 174.600 0.106 0.000 1.333 937 S CA 0.734 59.003 58.200 0.114 0.000 1.052 937 S CB 1.089 64.330 63.200 0.067 0.000 0.884 937 S HN 0.309 nan 8.310 nan 0.000 0.506 938 T N 2.808 117.470 114.554 0.180 0.000 3.206 938 T HA 0.253 4.494 4.350 -0.181 0.000 0.253 938 T C 0.428 175.220 174.700 0.153 0.000 1.042 938 T CA -0.519 61.675 62.100 0.157 0.000 0.931 938 T CB -0.359 68.613 68.868 0.173 0.000 1.029 938 T HN 0.548 nan 8.240 nan 0.000 0.564 939 M N 3.143 122.790 119.600 0.078 0.000 2.250 939 M HA 0.254 4.625 4.480 -0.181 0.000 0.337 939 M C -0.181 176.127 176.300 0.014 0.000 1.161 939 M CA -0.190 55.113 55.300 0.005 0.000 1.088 939 M CB 0.164 32.589 32.600 -0.292 0.000 1.639 939 M HN 0.064 nan 8.290 nan 0.000 0.447 940 K N 4.095 124.520 120.400 0.041 0.000 2.306 940 K HA 0.391 4.603 4.320 -0.181 0.000 0.236 940 K C -0.283 176.333 176.600 0.026 0.000 1.013 940 K CA -0.816 55.448 56.287 -0.038 0.000 0.857 940 K CB 1.175 33.513 32.500 -0.269 0.000 1.214 940 K HN 0.589 nan 8.250 nan 0.000 0.449 941 K N 1.221 121.618 120.400 -0.005 0.000 2.437 941 K HA 0.068 4.280 4.320 -0.181 0.000 0.205 941 K C 0.189 176.732 176.600 -0.095 0.000 1.026 941 K CA 0.044 56.371 56.287 0.066 0.000 1.153 941 K CB 0.105 32.647 32.500 0.070 0.000 0.863 941 K HN 0.629 nan 8.250 nan 0.000 0.502 942 H N -2.845 115.995 119.070 -0.383 0.000 2.902 942 H HA 0.515 4.963 4.556 -0.180 0.000 0.297 942 H C 0.072 174.962 175.328 -0.729 0.000 1.406 942 H CA -0.224 55.337 56.048 -0.811 0.000 1.134 942 H CB 0.900 30.453 29.762 -0.348 0.000 1.833 942 H HN 0.106 nan 8.280 nan 0.000 0.527 943 G N 0.664 109.219 108.800 -0.409 0.000 2.418 943 G HA2 -0.098 3.753 3.960 -0.181 0.000 0.206 943 G HA3 -0.098 3.753 3.960 -0.181 0.000 0.206 943 G C -1.107 173.878 174.900 0.141 0.000 1.202 943 G CA -0.274 44.808 45.100 -0.029 0.000 1.061 943 G HN 0.833 nan 8.290 nan 0.000 0.563 944 R N 0.423 121.122 120.500 0.333 0.000 2.437 944 R HA 0.691 4.923 4.340 -0.181 0.000 0.310 944 R C 0.126 176.769 176.300 0.572 0.000 0.955 944 R CA 0.092 56.457 56.100 0.442 0.000 0.851 944 R CB 1.211 31.688 30.300 0.295 0.000 1.161 944 R HN 1.422 nan 8.270 nan 0.000 0.446 945 A N 4.350 127.442 122.820 0.454 0.000 2.303 945 A HA 0.471 4.683 4.320 -0.181 0.000 0.317 945 A C -1.200 176.375 177.584 -0.015 0.000 1.149 945 A CA -0.714 51.446 52.037 0.205 0.000 0.822 945 A CB 1.082 20.146 19.000 0.106 0.000 1.131 945 A HN 0.630 nan 8.150 nan 0.000 0.493 946 L N 2.518 123.535 121.223 -0.343 0.000 2.313 946 L HA 0.728 4.959 4.340 -0.181 0.000 0.283 946 L C -1.560 175.106 176.870 -0.341 0.000 1.013 946 L CA -0.309 54.226 54.840 -0.509 0.000 0.816 946 L CB 1.214 42.633 42.059 -1.066 0.000 1.236 946 L HN 0.476 nan 8.230 nan 0.000 0.419 947 L N 4.599 125.697 121.223 -0.208 0.000 2.325 947 L HA 0.643 4.874 4.340 -0.181 0.000 0.281 947 L C 0.035 176.831 176.870 -0.124 0.000 1.004 947 L CA 0.012 54.759 54.840 -0.156 0.000 0.823 947 L CB 1.715 43.719 42.059 -0.092 0.000 1.236 947 L HN 0.668 nan 8.230 nan 0.000 0.415 948 S N 2.713 118.340 115.700 -0.122 0.000 2.386 948 S HA 0.513 4.875 4.470 -0.181 0.000 0.152 948 S C -0.640 173.920 174.600 -0.066 0.000 1.511 948 S CA -0.554 57.595 58.200 -0.085 0.000 1.246 948 S CB 0.299 63.441 63.200 -0.097 0.000 1.338 948 S HN 0.407 nan 8.310 nan 0.000 0.409 949 V N 2.659 122.545 119.914 -0.047 0.000 2.837 949 V HA 0.806 4.818 4.120 -0.181 0.000 0.310 949 V C 0.129 176.211 176.094 -0.020 0.000 1.059 949 V CA -1.175 61.105 62.300 -0.032 0.000 1.004 949 V CB 1.023 32.829 31.823 -0.028 0.000 1.045 949 V HN 0.806 nan 8.190 nan 0.000 0.465 950 R N 1.154 121.643 120.500 -0.018 0.000 2.637 950 R HA 0.437 4.669 4.340 -0.181 0.000 0.269 950 R C 0.901 177.194 176.300 -0.012 0.000 1.089 950 R CA -0.408 55.679 56.100 -0.021 0.000 1.177 950 R CB 0.261 30.540 30.300 -0.034 0.000 1.091 950 R HN 0.670 nan 8.270 nan 0.000 0.540 951 E N 1.311 121.501 120.200 -0.017 0.000 2.035 951 E HA -0.197 4.045 4.350 -0.181 0.000 0.204 951 E C 2.111 178.712 176.600 0.001 0.000 1.025 951 E CA 2.304 58.700 56.400 -0.007 0.000 0.835 951 E CB -0.938 28.753 29.700 -0.014 0.000 0.764 951 E HN 0.927 nan 8.360 nan 0.000 0.457 952 G N 0.876 109.674 108.800 -0.003 0.000 2.532 952 G HA2 -0.270 3.582 3.960 -0.181 0.000 0.222 952 G HA3 -0.270 3.582 3.960 -0.181 0.000 0.222 952 G C 1.072 175.986 174.900 0.024 0.000 1.102 952 G CA 1.334 46.441 45.100 0.011 0.000 0.742 952 G HN 0.193 nan 8.290 nan 0.000 0.577 953 D N -0.560 119.853 120.400 0.022 0.000 2.392 953 D HA 0.094 4.626 4.640 -0.181 0.000 0.206 953 D C 2.265 178.584 176.300 0.031 0.000 1.046 953 D CA 0.097 54.117 54.000 0.034 0.000 0.865 953 D CB 0.028 40.844 40.800 0.027 0.000 0.969 953 D HN 0.210 nan 8.370 nan 0.000 0.509 954 K N 0.940 121.352 120.400 0.020 0.000 2.173 954 K HA -0.196 4.015 4.320 -0.181 0.000 0.207 954 K C 1.865 178.480 176.600 0.026 0.000 1.046 954 K CA 1.105 57.403 56.287 0.017 0.000 0.929 954 K CB 0.149 32.658 32.500 0.015 0.000 0.720 954 K HN 0.178 nan 8.250 nan 0.000 0.453 955 E N 0.513 120.732 120.200 0.033 0.000 2.112 955 E HA -0.150 4.091 4.350 -0.181 0.000 0.190 955 E C 1.890 178.526 176.600 0.060 0.000 0.979 955 E CA 0.863 57.287 56.400 0.039 0.000 0.814 955 E CB 0.206 29.926 29.700 0.033 0.000 0.762 955 E HN 0.187 nan 8.360 nan 0.000 0.460 956 R N -0.022 120.528 120.500 0.083 0.000 2.210 956 R HA 0.032 4.263 4.340 -0.181 0.000 0.203 956 R C 2.329 178.727 176.300 0.164 0.000 1.010 956 R CA 0.283 56.475 56.100 0.153 0.000 1.008 956 R CB 0.133 30.553 30.300 0.199 0.000 0.923 956 R HN 0.064 nan 8.270 nan 0.000 0.469 957 V N 0.620 120.575 119.914 0.067 0.000 2.453 957 V HA -0.247 3.765 4.120 -0.181 0.000 0.252 957 V C 1.936 178.033 176.094 0.005 0.000 1.068 957 V CA 1.800 64.097 62.300 -0.004 0.000 1.070 957 V CB -0.082 31.731 31.823 -0.017 0.000 0.664 957 V HN 0.119 nan 8.190 nan 0.000 0.461 958 V N 0.533 120.475 119.914 0.045 0.000 2.252 958 V HA -0.298 3.714 4.120 -0.181 0.000 0.249 958 V C 2.447 178.587 176.094 0.076 0.000 1.056 958 V CA 2.657 64.986 62.300 0.049 0.000 1.022 958 V CB -0.918 30.935 31.823 0.049 0.000 0.641 958 V HN 0.720 nan 8.190 nan 0.000 0.445 959 D N -0.323 120.169 120.400 0.153 0.000 2.178 959 D HA -0.140 4.392 4.640 -0.181 0.000 0.202 959 D C 1.912 178.342 176.300 0.217 0.000 0.974 959 D CA 1.019 55.153 54.000 0.223 0.000 0.841 959 D CB -0.114 40.881 40.800 0.325 0.000 0.953 959 D HN 0.355 nan 8.370 nan 0.000 0.478 960 L N 0.362 121.604 121.223 0.031 0.000 2.093 960 L HA 0.111 4.342 4.340 -0.181 0.000 0.208 960 L C 2.135 178.920 176.870 -0.142 0.000 1.085 960 L CA 2.015 56.653 54.840 -0.337 0.000 0.755 960 L CB -0.979 40.575 42.059 -0.843 0.000 0.904 960 L HN 0.012 nan 8.230 nan 0.000 0.435 961 A N -0.159 122.619 122.820 -0.070 0.000 1.933 961 A HA -0.079 4.133 4.320 -0.181 0.000 0.218 961 A C 2.479 180.071 177.584 0.013 0.000 1.175 961 A CA 1.754 53.775 52.037 -0.026 0.000 0.628 961 A CB -1.178 17.818 19.000 -0.007 0.000 0.814 961 A HN 0.601 nan 8.150 nan 0.000 0.444 962 A N -0.295 122.546 122.820 0.034 0.000 1.902 962 A HA -0.185 4.026 4.320 -0.181 0.000 0.217 962 A C 2.111 179.732 177.584 0.062 0.000 1.181 962 A CA 2.100 54.170 52.037 0.055 0.000 0.623 962 A CB -0.435 18.606 19.000 0.069 0.000 0.818 962 A HN 0.495 nan 8.150 nan 0.000 0.443 963 K N -0.536 119.902 120.400 0.063 0.000 2.057 963 K HA 0.019 4.230 4.320 -0.181 0.000 0.207 963 K C 1.804 178.430 176.600 0.044 0.000 1.049 963 K CA 1.216 57.542 56.287 0.065 0.000 0.931 963 K CB -0.325 32.223 32.500 0.080 0.000 0.714 963 K HN 0.474 nan 8.250 nan 0.000 0.440 964 L N 0.424 121.644 121.223 -0.004 0.000 2.141 964 L HA -0.171 4.061 4.340 -0.181 0.000 0.209 964 L C 2.113 179.091 176.870 0.180 0.000 1.094 964 L CA 0.893 55.730 54.840 -0.004 0.000 0.763 964 L CB -0.222 41.755 42.059 -0.136 0.000 0.908 964 L HN 0.204 nan 8.230 nan 0.000 0.437 965 L N -0.532 120.765 121.223 0.123 0.000 2.072 965 L HA -0.211 4.020 4.340 -0.181 0.000 0.205 965 L C 2.661 179.604 176.870 0.122 0.000 1.079 965 L CA 1.174 56.093 54.840 0.132 0.000 0.752 965 L CB -0.359 41.752 42.059 0.087 0.000 0.906 965 L HN 0.210 nan 8.230 nan 0.000 0.436 966 K N -0.457 120.003 120.400 0.101 0.000 2.152 966 K HA -0.221 3.990 4.320 -0.181 0.000 0.206 966 K C 2.071 178.730 176.600 0.098 0.000 1.048 966 K CA 1.112 57.451 56.287 0.085 0.000 0.933 966 K CB 0.104 32.647 32.500 0.072 0.000 0.721 966 K HN 0.208 nan 8.250 nan 0.000 0.447 967 Q N -0.741 119.150 119.800 0.151 0.000 2.436 967 Q HA -0.038 4.194 4.340 -0.181 0.000 0.209 967 Q C 0.916 176.983 176.000 0.111 0.000 0.965 967 Q CA 1.143 57.051 55.803 0.175 0.000 0.910 967 Q CB 0.650 29.590 28.738 0.336 0.000 0.980 967 Q HN 0.623 nan 8.270 nan 0.000 0.491 968 G N -0.432 108.434 108.800 0.111 0.000 2.148 968 G HA2 -0.233 3.618 3.960 -0.181 0.000 0.203 968 G HA3 -0.233 3.618 3.960 -0.181 0.000 0.203 968 G C -0.147 174.738 174.900 -0.025 0.000 0.993 968 G CA -0.273 44.837 45.100 0.017 0.000 0.661 968 G HN 0.236 nan 8.290 nan 0.000 0.518 969 F N 1.111 121.097 119.950 0.059 0.000 2.382 969 F HA 0.591 5.010 4.527 -0.180 0.000 0.331 969 F C 1.042 176.887 175.800 0.075 0.000 1.121 969 F CA -0.087 57.959 58.000 0.077 0.000 1.183 969 F CB 0.852 39.896 39.000 0.073 0.000 1.207 969 F HN 0.066 nan 8.300 nan 0.000 0.555 970 E N 1.955 122.325 120.200 0.284 0.000 2.214 970 E HA 0.539 4.781 4.350 -0.181 0.000 0.274 970 E C -1.134 175.603 176.600 0.227 0.000 0.977 970 E CA -0.633 55.883 56.400 0.193 0.000 0.827 970 E CB 1.474 31.256 29.700 0.137 0.000 1.130 970 E HN 0.385 nan 8.360 nan 0.000 0.394 971 L N 1.964 123.283 121.223 0.161 0.000 2.330 971 L HA 0.567 4.799 4.340 -0.181 0.000 0.271 971 L C -0.702 176.241 176.870 0.122 0.000 1.013 971 L CA -0.972 53.952 54.840 0.139 0.000 0.816 971 L CB 1.532 43.644 42.059 0.088 0.000 1.287 971 L HN 0.428 nan 8.230 nan 0.000 0.435 972 D N 0.806 121.275 120.400 0.114 0.000 2.671 972 D HA 0.820 5.351 4.640 -0.181 0.000 0.232 972 D C -1.080 175.231 176.300 0.020 0.000 1.114 972 D CA -0.151 53.911 54.000 0.104 0.000 0.858 972 D CB 2.426 43.364 40.800 0.230 0.000 1.544 972 D HN 0.709 nan 8.370 nan 0.000 0.471 973 A N 0.451 123.278 122.820 0.012 0.000 2.589 973 A HA 0.656 4.868 4.320 -0.181 0.000 0.296 973 A C -0.273 177.306 177.584 -0.009 0.000 1.062 973 A CA -0.865 51.160 52.037 -0.020 0.000 0.686 973 A CB 0.933 19.919 19.000 -0.025 0.000 1.282 973 A HN 0.455 nan 8.150 nan 0.000 0.404 974 T N -0.571 113.975 114.554 -0.013 0.000 2.860 974 T HA 0.354 4.595 4.350 -0.181 0.000 0.299 974 T C 1.162 175.890 174.700 0.048 0.000 1.045 974 T CA 0.795 62.906 62.100 0.018 0.000 1.071 974 T CB 0.432 69.305 68.868 0.008 0.000 0.985 974 T HN 0.911 nan 8.240 nan 0.000 0.537 975 H N 2.200 121.268 119.070 -0.003 0.000 2.486 975 H HA -0.251 4.197 4.556 -0.181 0.000 0.278 975 H C 2.423 177.753 175.328 0.003 0.000 1.080 975 H CA 2.889 58.940 56.048 0.005 0.000 1.188 975 H CB -0.994 28.776 29.762 0.014 0.000 1.512 975 H HN 0.825 nan 8.280 nan 0.000 0.686 976 G N -1.876 107.136 108.800 0.354 0.000 2.503 976 G HA2 -0.324 3.527 3.960 -0.181 0.000 0.221 976 G HA3 -0.324 3.527 3.960 -0.181 0.000 0.221 976 G C 1.705 176.650 174.900 0.074 0.000 1.131 976 G CA 1.543 46.790 45.100 0.245 0.000 0.756 976 G HN 0.552 nan 8.290 nan 0.000 0.572 977 T N 1.156 115.732 114.554 0.037 0.000 2.942 977 T HA 0.196 4.438 4.350 -0.181 0.000 0.265 977 T C 2.782 177.469 174.700 -0.022 0.000 1.062 977 T CA 1.121 63.222 62.100 0.002 0.000 1.139 977 T CB -0.189 68.671 68.868 -0.013 0.000 0.883 977 T HN 0.384 nan 8.240 nan 0.000 0.468 978 A N 1.731 124.522 122.820 -0.048 0.000 1.930 978 A HA -0.017 4.195 4.320 -0.181 0.000 0.217 978 A C 2.156 179.688 177.584 -0.086 0.000 1.175 978 A CA 0.863 52.857 52.037 -0.072 0.000 0.627 978 A CB -0.610 18.331 19.000 -0.098 0.000 0.815 978 A HN 0.330 nan 8.150 nan 0.000 0.443 979 I N 0.012 120.509 120.570 -0.121 0.000 2.068 979 I HA -0.235 3.826 4.170 -0.181 0.000 0.238 979 I C 2.563 178.659 176.117 -0.034 0.000 1.046 979 I CA 1.465 62.709 61.300 -0.093 0.000 1.306 979 I CB -1.386 36.584 38.000 -0.050 0.000 1.023 979 I HN 0.159 nan 8.210 nan 0.000 0.399 980 V N 0.802 120.708 119.914 -0.013 0.000 2.392 980 V HA -0.266 3.746 4.120 -0.181 0.000 0.249 980 V C 2.600 178.693 176.094 -0.001 0.000 1.059 980 V CA 1.426 63.726 62.300 0.000 0.000 1.051 980 V CB -0.463 31.365 31.823 0.008 0.000 0.658 980 V HN 0.343 nan 8.190 nan 0.000 0.455 981 L N -0.088 121.130 121.223 -0.008 0.000 2.027 981 L HA -0.067 4.165 4.340 -0.181 0.000 0.206 981 L C 2.700 179.569 176.870 -0.003 0.000 1.074 981 L CA 1.795 56.633 54.840 -0.003 0.000 0.745 981 L CB -1.310 40.746 42.059 -0.006 0.000 0.898 981 L HN 0.462 nan 8.230 nan 0.000 0.433 982 G N -0.289 108.502 108.800 -0.014 0.000 2.491 982 G HA2 -0.321 3.530 3.960 -0.181 0.000 0.218 982 G HA3 -0.321 3.530 3.960 -0.181 0.000 0.218 982 G C 1.337 176.234 174.900 -0.006 0.000 1.180 982 G CA 0.823 45.915 45.100 -0.014 0.000 0.774 982 G HN 0.386 nan 8.290 nan 0.000 0.562 983 E N 0.254 120.451 120.200 -0.006 0.000 2.448 983 E HA 0.034 4.275 4.350 -0.181 0.000 0.203 983 E C 2.182 178.786 176.600 0.006 0.000 1.046 983 E CA 0.546 56.947 56.400 0.001 0.000 0.871 983 E CB -0.074 29.629 29.700 0.004 0.000 0.790 983 E HN 0.456 nan 8.360 nan 0.000 0.545 984 A N -0.967 121.858 122.820 0.008 0.000 2.470 984 A HA 0.446 4.658 4.320 -0.181 0.000 0.251 984 A C 1.309 178.901 177.584 0.014 0.000 1.245 984 A CA 0.425 52.469 52.037 0.013 0.000 0.932 984 A CB 0.400 19.411 19.000 0.018 0.000 1.037 984 A HN 0.239 nan 8.150 nan 0.000 0.522 985 G N -0.495 108.312 108.800 0.011 0.000 2.144 985 G HA2 -0.153 3.699 3.960 -0.181 0.000 0.218 985 G HA3 -0.153 3.699 3.960 -0.181 0.000 0.218 985 G C -0.130 174.779 174.900 0.014 0.000 0.988 985 G CA 0.107 45.214 45.100 0.012 0.000 0.659 985 G HN 0.479 nan 8.290 nan 0.000 0.522 986 I N 0.895 121.472 120.570 0.013 0.000 2.418 986 I HA 0.320 4.381 4.170 -0.181 0.000 0.287 986 I C -0.489 175.633 176.117 0.009 0.000 1.008 986 I CA -0.715 60.594 61.300 0.015 0.000 1.104 986 I CB 1.756 39.768 38.000 0.020 0.000 1.264 986 I HN 0.073 nan 8.210 nan 0.000 0.438 987 N N 7.992 126.699 118.700 0.012 0.000 2.511 987 N HA 0.419 5.051 4.740 -0.181 0.000 0.249 987 N C -2.475 173.044 175.510 0.016 0.000 0.971 987 N CA -1.248 51.806 53.050 0.007 0.000 0.938 987 N CB 1.469 39.959 38.487 0.006 0.000 1.131 987 N HN 0.366 nan 8.380 nan 0.000 0.505 988 P HA 0.229 nan 4.420 nan 0.000 0.284 988 P C -0.774 176.540 177.300 0.024 0.000 1.292 988 P CA -0.637 62.478 63.100 0.026 0.000 0.800 988 P CB 1.158 32.868 31.700 0.016 0.000 1.188 989 R N 0.651 121.176 120.500 0.042 0.000 2.297 989 R HA 0.344 4.576 4.340 -0.181 0.000 0.308 989 R C -0.568 175.752 176.300 0.035 0.000 1.029 989 R CA -0.717 55.406 56.100 0.039 0.000 0.929 989 R CB 0.092 30.424 30.300 0.053 0.000 1.046 989 R HN 0.315 nan 8.270 nan 0.000 0.461 990 L N 6.373 127.607 121.223 0.018 0.000 2.360 990 L HA 0.223 4.454 4.340 -0.181 0.000 0.276 990 L C -0.729 176.160 176.870 0.032 0.000 1.121 990 L CA -0.005 54.843 54.840 0.013 0.000 0.845 990 L CB 1.326 43.382 42.059 -0.005 0.000 1.143 990 L HN 0.470 nan 8.230 nan 0.000 0.452 991 V N 1.973 121.911 119.914 0.041 0.000 2.919 991 V HA 0.609 4.621 4.120 -0.181 0.000 0.316 991 V C -0.144 175.975 176.094 0.041 0.000 1.077 991 V CA -1.033 61.299 62.300 0.054 0.000 0.977 991 V CB 1.713 33.591 31.823 0.092 0.000 1.039 991 V HN 0.821 nan 8.190 nan 0.000 0.441 992 N N 1.201 119.925 118.700 0.039 0.000 2.473 992 N HA 0.411 5.043 4.740 -0.181 0.000 0.291 992 N C -0.390 175.110 175.510 -0.016 0.000 1.083 992 N CA -0.774 52.285 53.050 0.015 0.000 0.951 992 N CB 1.433 39.933 38.487 0.022 0.000 1.164 992 N HN 0.670 nan 8.380 nan 0.000 0.480 993 K N 0.479 120.799 120.400 -0.134 0.000 2.132 993 K HA 0.108 4.319 4.320 -0.181 0.000 0.240 993 K C 0.912 177.318 176.600 -0.325 0.000 1.036 993 K CA -0.537 55.584 56.287 -0.275 0.000 0.888 993 K CB 0.581 32.804 32.500 -0.460 0.000 1.071 993 K HN 0.208 nan 8.250 nan 0.000 0.502 994 V N 0.843 120.524 119.914 -0.388 0.000 2.358 994 V HA -0.224 3.788 4.120 -0.181 0.000 0.246 994 V C 1.807 177.810 176.094 -0.152 0.000 1.047 994 V CA 1.966 64.057 62.300 -0.348 0.000 1.035 994 V CB -1.092 30.448 31.823 -0.471 0.000 0.658 994 V HN 0.779 nan 8.190 nan 0.000 0.452 995 H N -0.953 118.113 119.070 -0.006 0.000 2.543 995 H HA 0.180 4.627 4.556 -0.181 0.000 0.269 995 H C 1.680 177.027 175.328 0.032 0.000 1.005 995 H CA 0.713 56.770 56.048 0.015 0.000 1.146 995 H CB -0.335 29.423 29.762 -0.007 0.000 1.353 995 H HN 0.468 nan 8.280 nan 0.000 0.595 996 E N -0.059 120.034 120.200 -0.179 0.000 2.201 996 E HA 0.320 4.561 4.350 -0.181 0.000 0.193 996 E C 0.805 177.418 176.600 0.022 0.000 0.957 996 E CA 0.431 56.811 56.400 -0.033 0.000 0.858 996 E CB 0.634 30.272 29.700 -0.104 0.000 0.816 996 E HN 0.596 nan 8.360 nan 0.000 0.475 997 G N -0.271 108.547 108.800 0.029 0.000 2.344 997 G HA2 0.280 4.132 3.960 -0.181 0.000 0.282 997 G HA3 0.280 4.132 3.960 -0.181 0.000 0.282 997 G C -1.533 173.364 174.900 -0.004 0.000 1.281 997 G CA -1.012 44.102 45.100 0.024 0.000 0.877 997 G HN -0.043 nan 8.290 nan 0.000 0.494 998 R N 0.250 120.724 120.500 -0.043 0.000 2.673 998 R HA 0.605 4.837 4.340 -0.181 0.000 0.281 998 R C -2.417 173.834 176.300 -0.082 0.000 0.991 998 R CA -1.253 54.779 56.100 -0.113 0.000 0.896 998 R CB 2.179 32.388 30.300 -0.152 0.000 1.201 998 R HN 0.474 nan 8.270 nan 0.000 0.457 999 P HA 0.206 nan 4.420 nan 0.000 0.277 999 P C -0.965 176.261 177.300 -0.123 0.000 1.271 999 P CA -0.453 62.531 63.100 -0.193 0.000 0.795 999 P CB 0.525 32.127 31.700 -0.164 0.000 1.101 1000 H N -1.133 117.922 119.070 -0.025 0.000 2.771 1000 H HA 0.271 4.720 4.556 -0.179 0.000 0.344 1000 H C 0.997 176.323 175.328 -0.004 0.000 1.260 1000 H CA -0.900 55.130 56.048 -0.030 0.000 1.276 1000 H CB 0.731 30.458 29.762 -0.058 0.000 1.881 1000 H HN 0.181 nan 8.280 nan 0.000 0.615 1001 I N -1.238 119.478 120.570 0.243 0.000 2.185 1001 I HA -0.322 3.740 4.170 -0.181 0.000 0.246 1001 I C 2.150 178.390 176.117 0.205 0.000 1.088 1001 I CA 1.498 62.906 61.300 0.180 0.000 1.347 1001 I CB -1.439 36.587 38.000 0.043 0.000 1.041 1001 I HN 0.662 nan 8.210 nan 0.000 0.415 1002 Q N 0.927 120.865 119.800 0.230 0.000 2.084 1002 Q HA -0.225 4.006 4.340 -0.181 0.000 0.202 1002 Q C 1.883 177.984 176.000 0.169 0.000 0.978 1002 Q CA 2.153 58.047 55.803 0.150 0.000 0.844 1002 Q CB -0.346 28.384 28.738 -0.012 0.000 0.898 1002 Q HN 0.654 nan 8.270 nan 0.000 0.426 1003 D N -0.038 120.529 120.400 0.278 0.000 2.097 1003 D HA -0.147 4.385 4.640 -0.181 0.000 0.195 1003 D C 2.042 178.302 176.300 -0.066 0.000 0.989 1003 D CA 0.892 54.894 54.000 0.002 0.000 0.827 1003 D CB -0.005 40.684 40.800 -0.186 0.000 0.966 1003 D HN 0.292 nan 8.370 nan 0.000 0.456 1004 R N 0.469 120.956 120.500 -0.023 0.000 2.075 1004 R HA -0.035 4.197 4.340 -0.181 0.000 0.232 1004 R C 2.644 178.843 176.300 -0.169 0.000 1.126 1004 R CA 0.540 56.562 56.100 -0.129 0.000 0.963 1004 R CB -0.418 29.808 30.300 -0.122 0.000 0.858 1004 R HN 0.263 nan 8.270 nan 0.000 0.435 1005 I N 1.536 122.109 120.570 0.004 0.000 2.127 1005 I HA -0.337 3.725 4.170 -0.181 0.000 0.241 1005 I C 2.670 178.574 176.117 -0.354 0.000 1.075 1005 I CA 1.601 62.904 61.300 0.005 0.000 1.334 1005 I CB -0.361 37.689 38.000 0.082 0.000 1.040 1005 I HN 0.141 nan 8.210 nan 0.000 0.405 1006 K N 1.702 121.800 120.400 -0.503 0.000 2.103 1006 K HA -0.206 4.005 4.320 -0.181 0.000 0.207 1006 K C 1.266 177.511 176.600 -0.592 0.000 1.048 1006 K CA 2.215 57.929 56.287 -0.954 0.000 0.930 1006 K CB -0.358 31.852 32.500 -0.484 0.000 0.716 1006 K HN 0.377 nan 8.250 nan 0.000 0.444 1007 N N -0.125 118.384 118.700 -0.318 0.000 2.449 1007 N HA 0.107 4.739 4.740 -0.181 0.000 0.191 1007 N C -0.107 175.303 175.510 -0.167 0.000 1.161 1007 N CA 0.411 53.339 53.050 -0.204 0.000 0.863 1007 N CB 0.640 39.036 38.487 -0.152 0.000 0.980 1007 N HN 0.451 nan 8.380 nan 0.000 0.458 1008 G N 1.227 109.914 108.800 -0.189 0.000 2.314 1008 G HA2 -0.291 3.561 3.960 -0.181 0.000 0.292 1008 G HA3 -0.291 3.561 3.960 -0.181 0.000 0.292 1008 G C 0.562 175.391 174.900 -0.120 0.000 1.059 1008 G CA 0.073 45.121 45.100 -0.086 0.000 0.982 1008 G HN 0.442 nan 8.290 nan 0.000 0.505 1009 E N -1.554 118.491 120.200 -0.257 0.000 2.230 1009 E HA 0.059 4.301 4.350 -0.181 0.000 0.192 1009 E C 0.359 176.680 176.600 -0.465 0.000 0.987 1009 E CA 0.727 56.864 56.400 -0.438 0.000 0.841 1009 E CB 0.293 29.568 29.700 -0.709 0.000 0.783 1009 E HN 0.699 nan 8.360 nan 0.000 0.481 1010 Y N -0.269 120.056 120.300 0.043 0.000 2.567 1010 Y HA 0.161 4.602 4.550 -0.180 0.000 0.333 1010 Y C 1.474 177.447 175.900 0.120 0.000 1.106 1010 Y CA -0.496 57.655 58.100 0.086 0.000 1.157 1010 Y CB 1.471 39.967 38.460 0.060 0.000 1.277 1010 Y HN -0.165 nan 8.280 nan 0.000 0.490 1011 T N -3.337 111.449 114.554 0.386 0.000 2.975 1011 T HA 0.243 4.484 4.350 -0.181 0.000 0.261 1011 T C -0.814 174.134 174.700 0.413 0.000 0.984 1011 T CA 0.015 62.305 62.100 0.316 0.000 0.911 1011 T CB -0.081 68.911 68.868 0.207 0.000 1.127 1011 T HN 0.484 nan 8.240 nan 0.000 0.514 1012 Y N 0.311 120.748 120.300 0.228 0.000 2.519 1012 Y HA 0.675 5.116 4.550 -0.181 0.000 0.336 1012 Y C -2.389 173.519 175.900 0.013 0.000 1.089 1012 Y CA -2.486 55.681 58.100 0.111 0.000 1.025 1012 Y CB 1.529 39.953 38.460 -0.059 0.000 1.318 1012 Y HN 0.167 nan 8.280 nan 0.000 0.452 1013 I N 6.966 126.991 120.570 -0.909 0.000 2.571 1013 I HA 0.411 4.472 4.170 -0.181 0.000 0.289 1013 I C -1.479 174.102 176.117 -0.893 0.000 1.115 1013 I CA -0.842 59.998 61.300 -0.768 0.000 1.045 1013 I CB 2.128 39.896 38.000 -0.387 0.000 1.238 1013 I HN 0.552 nan 8.210 nan 0.000 0.424 1014 I N 7.241 127.407 120.570 -0.674 0.000 2.362 1014 I HA 0.461 4.523 4.170 -0.181 0.000 0.289 1014 I C -0.915 175.074 176.117 -0.213 0.000 0.994 1014 I CA 0.163 61.242 61.300 -0.368 0.000 1.158 1014 I CB 1.108 38.983 38.000 -0.210 0.000 1.315 1014 I HN 0.617 nan 8.210 nan 0.000 0.451 1015 N N 5.677 124.304 118.700 -0.120 0.000 2.558 1015 N HA 0.272 4.904 4.740 -0.181 0.000 0.285 1015 N C -1.454 174.034 175.510 -0.037 0.000 1.112 1015 N CA -0.263 52.733 53.050 -0.091 0.000 0.857 1015 N CB 1.416 39.831 38.487 -0.120 0.000 1.376 1015 N HN 0.712 nan 8.380 nan 0.000 0.526 1016 T N 0.391 114.926 114.554 -0.032 0.000 2.859 1016 T HA 0.655 4.896 4.350 -0.181 0.000 0.281 1016 T C -0.226 174.462 174.700 -0.019 0.000 1.005 1016 T CA -0.244 61.851 62.100 -0.008 0.000 1.025 1016 T CB 1.919 70.792 68.868 0.009 0.000 0.977 1016 T HN 0.249 nan 8.240 nan 0.000 0.458 1017 T N 1.591 116.137 114.554 -0.014 0.000 2.900 1017 T HA 0.680 4.922 4.350 -0.181 0.000 0.303 1017 T C -1.149 173.524 174.700 -0.044 0.000 1.142 1017 T CA -0.786 61.296 62.100 -0.030 0.000 1.007 1017 T CB 1.909 70.761 68.868 -0.027 0.000 1.156 1017 T HN 0.766 nan 8.240 nan 0.000 0.490 1018 S N 0.884 116.528 115.700 -0.092 0.000 2.776 1018 S HA 0.719 5.081 4.470 -0.181 0.000 0.284 1018 S C -0.494 173.951 174.600 -0.259 0.000 1.160 1018 S CA 0.272 58.349 58.200 -0.206 0.000 1.051 1018 S CB 0.311 63.339 63.200 -0.286 0.000 1.037 1018 S HN 1.467 nan 8.310 nan 0.000 0.485 1019 G N 3.758 112.492 108.800 -0.110 0.000 2.931 1019 G HA2 0.006 3.858 3.960 -0.181 0.000 0.675 1019 G HA3 0.006 3.858 3.960 -0.181 0.000 0.675 1019 G C -0.078 174.915 174.900 0.155 0.000 1.339 1019 G CA -0.702 44.462 45.100 0.106 0.000 0.866 1019 G HN 0.588 nan 8.290 nan 0.000 0.616 1020 R N 0.365 120.990 120.500 0.208 0.000 2.133 1020 R HA -0.064 4.167 4.340 -0.181 0.000 0.247 1020 R C 2.673 179.008 176.300 0.057 0.000 1.151 1020 R CA 2.162 58.324 56.100 0.102 0.000 0.971 1020 R CB -0.153 30.194 30.300 0.078 0.000 0.866 1020 R HN 0.523 nan 8.270 nan 0.000 0.447 1021 R N -0.810 119.721 120.500 0.053 0.000 2.055 1021 R HA 0.100 4.332 4.340 -0.181 0.000 0.226 1021 R C 1.986 178.290 176.300 0.006 0.000 1.135 1021 R CA 1.380 57.492 56.100 0.021 0.000 0.959 1021 R CB -0.635 29.673 30.300 0.014 0.000 0.854 1021 R HN 0.278 nan 8.270 nan 0.000 0.431 1022 A N 1.089 123.910 122.820 0.001 0.000 1.948 1022 A HA -0.169 4.043 4.320 -0.181 0.000 0.220 1022 A C 2.280 179.857 177.584 -0.012 0.000 1.177 1022 A CA 1.398 53.427 52.037 -0.014 0.000 0.636 1022 A CB -0.522 18.458 19.000 -0.034 0.000 0.815 1022 A HN 0.270 nan 8.150 nan 0.000 0.449 1023 I N -0.873 119.696 120.570 -0.000 0.000 2.133 1023 I HA -0.231 3.830 4.170 -0.181 0.000 0.238 1023 I C 2.479 178.589 176.117 -0.013 0.000 1.074 1023 I CA 1.589 62.886 61.300 -0.005 0.000 1.342 1023 I CB -0.482 37.525 38.000 0.012 0.000 1.053 1023 I HN 0.366 nan 8.210 nan 0.000 0.404 1024 E N 0.674 120.872 120.200 -0.004 0.000 2.171 1024 E HA -0.277 3.964 4.350 -0.181 0.000 0.197 1024 E C 1.510 178.101 176.600 -0.015 0.000 0.997 1024 E CA 1.641 58.036 56.400 -0.009 0.000 0.810 1024 E CB -0.100 29.599 29.700 -0.002 0.000 0.738 1024 E HN 0.491 nan 8.360 nan 0.000 0.467 1025 D N -0.811 119.582 120.400 -0.012 0.000 2.194 1025 D HA -0.068 4.463 4.640 -0.181 0.000 0.204 1025 D C 1.780 178.074 176.300 -0.011 0.000 0.964 1025 D CA 1.109 55.105 54.000 -0.006 0.000 0.846 1025 D CB 0.055 40.855 40.800 -0.000 0.000 0.962 1025 D HN 0.088 nan 8.370 nan 0.000 0.490 1026 S N -0.239 115.444 115.700 -0.028 0.000 2.548 1026 S HA 0.036 4.398 4.470 -0.181 0.000 0.215 1026 S C 1.727 176.281 174.600 -0.077 0.000 0.976 1026 S CA -0.367 57.802 58.200 -0.052 0.000 0.908 1026 S CB 0.137 63.304 63.200 -0.055 0.000 0.781 1026 S HN 0.134 nan 8.310 nan 0.000 0.519 1027 R N 1.551 122.012 120.500 -0.065 0.000 2.174 1027 R HA -0.157 4.075 4.340 -0.181 0.000 0.253 1027 R C 1.990 178.233 176.300 -0.094 0.000 1.165 1027 R CA 1.789 57.842 56.100 -0.078 0.000 0.984 1027 R CB -0.715 29.553 30.300 -0.053 0.000 0.873 1027 R HN 0.396 nan 8.270 nan 0.000 0.456 1028 V N 0.567 120.430 119.914 -0.085 0.000 2.548 1028 V HA -0.146 3.866 4.120 -0.181 0.000 0.249 1028 V C 2.078 178.107 176.094 -0.108 0.000 1.055 1028 V CA 1.557 63.804 62.300 -0.088 0.000 1.065 1028 V CB -0.154 31.614 31.823 -0.091 0.000 0.681 1028 V HN 0.344 nan 8.190 nan 0.000 0.462 1029 I N 0.099 120.589 120.570 -0.132 0.000 2.113 1029 I HA -0.224 3.837 4.170 -0.181 0.000 0.238 1029 I C 2.805 178.777 176.117 -0.243 0.000 1.070 1029 I CA 2.092 63.295 61.300 -0.162 0.000 1.332 1029 I CB -0.491 37.409 38.000 -0.167 0.000 1.044 1029 I HN 0.239 nan 8.210 nan 0.000 0.402 1030 R N 0.568 120.881 120.500 -0.311 0.000 2.096 1030 R HA -0.178 4.054 4.340 -0.181 0.000 0.240 1030 R C 2.400 178.464 176.300 -0.393 0.000 1.139 1030 R CA 1.422 57.216 56.100 -0.510 0.000 0.952 1030 R CB -0.589 29.474 30.300 -0.395 0.000 0.854 1030 R HN 0.406 nan 8.270 nan 0.000 0.436 1031 R N 0.294 120.667 120.500 -0.212 0.000 2.096 1031 R HA -0.038 4.193 4.340 -0.181 0.000 0.235 1031 R C 2.423 178.675 176.300 -0.079 0.000 1.127 1031 R CA 1.412 57.437 56.100 -0.125 0.000 0.968 1031 R CB -0.232 30.025 30.300 -0.072 0.000 0.861 1031 R HN 0.148 nan 8.270 nan 0.000 0.440 1032 S N 0.712 116.383 115.700 -0.048 0.000 2.371 1032 S HA -0.056 4.306 4.470 -0.181 0.000 0.224 1032 S C 2.073 176.767 174.600 0.156 0.000 1.029 1032 S CA 1.034 59.301 58.200 0.111 0.000 0.978 1032 S CB -0.035 63.236 63.200 0.118 0.000 0.833 1032 S HN 0.464 nan 8.310 nan 0.000 0.466 1033 A N 1.377 124.169 122.820 -0.047 0.000 1.877 1033 A HA -0.067 4.145 4.320 -0.181 0.000 0.216 1033 A C 2.104 179.710 177.584 0.037 0.000 1.186 1033 A CA 1.380 53.383 52.037 -0.056 0.000 0.620 1033 A CB -0.776 17.988 19.000 -0.394 0.000 0.822 1033 A HN 0.419 nan 8.150 nan 0.000 0.443 1034 L N -0.115 121.078 121.223 -0.051 0.000 2.017 1034 L HA -0.211 4.021 4.340 -0.181 0.000 0.208 1034 L C 2.603 179.489 176.870 0.026 0.000 1.073 1034 L CA 2.709 57.608 54.840 0.098 0.000 0.745 1034 L CB -0.792 41.316 42.059 0.083 0.000 0.894 1034 L HN 0.628 nan 8.230 nan 0.000 0.432 1035 Q N -1.801 117.955 119.800 -0.072 0.000 2.170 1035 Q HA -0.248 3.983 4.340 -0.181 0.000 0.203 1035 Q C 1.565 177.302 176.000 -0.438 0.000 0.976 1035 Q CA 1.929 57.574 55.803 -0.263 0.000 0.858 1035 Q CB -0.218 28.299 28.738 -0.368 0.000 0.907 1035 Q HN 0.675 nan 8.270 nan 0.000 0.433 1036 Y N 0.405 120.728 120.300 0.039 0.000 2.466 1036 Y HA 0.134 4.577 4.550 -0.180 0.000 0.272 1036 Y C -0.023 175.922 175.900 0.076 0.000 1.169 1036 Y CA 0.006 58.138 58.100 0.053 0.000 1.285 1036 Y CB 0.803 39.295 38.460 0.053 0.000 1.078 1036 Y HN -0.014 nan 8.280 nan 0.000 0.523 1037 K N -0.967 119.531 120.400 0.163 0.000 3.167 1037 K HA -0.143 4.069 4.320 -0.181 0.000 0.272 1037 K C -0.838 175.888 176.600 0.210 0.000 1.137 1037 K CA 0.307 56.693 56.287 0.165 0.000 0.800 1037 K CB -2.584 29.990 32.500 0.124 0.000 1.253 1037 K HN 0.099 nan 8.250 nan 0.000 0.497 1038 V N 1.544 121.605 119.914 0.244 0.000 2.407 1038 V HA 0.127 4.138 4.120 -0.181 0.000 0.278 1038 V C 0.746 177.024 176.094 0.306 0.000 1.037 1038 V CA -0.735 61.722 62.300 0.263 0.000 0.900 1038 V CB 1.174 33.143 31.823 0.243 0.000 0.983 1038 V HN 0.393 nan 8.190 nan 0.000 0.459 1039 H N 5.326 124.539 119.070 0.238 0.000 2.928 1039 H HA 0.303 4.751 4.556 -0.179 0.000 0.338 1039 H C -0.655 174.830 175.328 0.260 0.000 1.047 1039 H CA 0.330 56.508 56.048 0.217 0.000 1.435 1039 H CB 0.230 30.116 29.762 0.206 0.000 1.428 1039 H HN 0.666 nan 8.280 nan 0.000 0.590 1040 Y N 1.341 121.305 120.300 -0.559 0.000 2.553 1040 Y HA 0.490 4.928 4.550 -0.185 0.000 0.347 1040 Y C -1.457 174.252 175.900 -0.319 0.000 1.019 1040 Y CA -1.368 56.519 58.100 -0.356 0.000 1.032 1040 Y CB 1.476 39.786 38.460 -0.250 0.000 1.284 1040 Y HN 0.449 nan 8.280 nan 0.000 0.466 1041 D N 1.157 121.526 120.400 -0.052 0.000 2.481 1041 D HA 0.254 4.786 4.640 -0.181 0.000 0.244 1041 D C 0.086 176.432 176.300 0.077 0.000 1.057 1041 D CA -0.385 53.624 54.000 0.015 0.000 0.848 1041 D CB 2.282 43.196 40.800 0.189 0.000 1.388 1041 D HN 0.830 nan 8.370 nan 0.000 0.475 1042 T N -2.810 111.794 114.554 0.084 0.000 3.092 1042 T HA 0.147 4.389 4.350 -0.181 0.000 0.258 1042 T C 0.651 175.399 174.700 0.080 0.000 1.031 1042 T CA -0.168 61.991 62.100 0.099 0.000 0.925 1042 T CB -0.079 68.865 68.868 0.127 0.000 1.036 1042 T HN 0.413 nan 8.240 nan 0.000 0.544 1043 T N -0.813 113.795 114.554 0.090 0.000 2.893 1043 T HA 0.622 4.863 4.350 -0.181 0.000 0.293 1043 T C 0.592 175.349 174.700 0.096 0.000 1.027 1043 T CA -0.897 61.263 62.100 0.099 0.000 0.988 1043 T CB 1.902 70.845 68.868 0.125 0.000 1.043 1043 T HN -0.063 nan 8.240 nan 0.000 0.461 1044 L N 2.265 123.543 121.223 0.092 0.000 2.093 1044 L HA 0.079 4.311 4.340 -0.181 0.000 0.208 1044 L C 2.242 179.211 176.870 0.165 0.000 1.085 1044 L CA 1.558 56.448 54.840 0.083 0.000 0.755 1044 L CB -0.747 41.369 42.059 0.096 0.000 0.904 1044 L HN 0.696 nan 8.230 nan 0.000 0.435 1045 N N -0.134 118.682 118.700 0.193 0.000 2.104 1045 N HA -0.153 4.479 4.740 -0.181 0.000 0.190 1045 N C 1.773 177.396 175.510 0.188 0.000 1.024 1045 N CA 1.496 54.679 53.050 0.221 0.000 0.853 1045 N CB -0.744 37.853 38.487 0.183 0.000 1.008 1045 N HN 0.470 nan 8.380 nan 0.000 0.424 1046 G N -0.465 108.429 108.800 0.156 0.000 2.422 1046 G HA2 -0.115 3.737 3.960 -0.181 0.000 0.218 1046 G HA3 -0.115 3.737 3.960 -0.181 0.000 0.218 1046 G C 1.557 176.534 174.900 0.127 0.000 1.140 1046 G CA 0.958 46.147 45.100 0.149 0.000 0.775 1046 G HN 0.439 nan 8.290 nan 0.000 0.545 1047 G N 0.271 109.135 108.800 0.108 0.000 2.408 1047 G HA2 -0.085 3.767 3.960 -0.181 0.000 0.217 1047 G HA3 -0.085 3.767 3.960 -0.181 0.000 0.217 1047 G C 1.529 176.384 174.900 -0.075 0.000 1.150 1047 G CA 0.439 45.570 45.100 0.052 0.000 0.776 1047 G HN 0.287 nan 8.290 nan 0.000 0.542 1048 F N 1.915 121.866 119.950 0.002 0.000 2.102 1048 F HA 0.032 4.450 4.527 -0.181 0.000 0.298 1048 F C 3.011 178.758 175.800 -0.089 0.000 1.105 1048 F CA 0.874 58.856 58.000 -0.030 0.000 1.239 1048 F CB -0.531 38.466 39.000 -0.005 0.000 0.991 1048 F HN 0.239 nan 8.300 nan 0.000 0.474 1049 A N -0.776 122.045 122.820 0.003 0.000 1.877 1049 A HA -0.201 4.011 4.320 -0.181 0.000 0.216 1049 A C 2.252 179.639 177.584 -0.329 0.000 1.186 1049 A CA 2.336 54.142 52.037 -0.384 0.000 0.620 1049 A CB -1.371 16.942 19.000 -1.146 0.000 0.822 1049 A HN 0.354 nan 8.150 nan 0.000 0.443 1050 T N 0.263 114.738 114.554 -0.131 0.000 2.759 1050 T HA -0.082 4.159 4.350 -0.181 0.000 0.269 1050 T C 2.154 176.770 174.700 -0.141 0.000 1.042 1050 T CA 1.687 63.759 62.100 -0.046 0.000 1.140 1050 T CB -0.419 68.376 68.868 -0.122 0.000 0.864 1050 T HN 0.618 nan 8.240 nan 0.000 0.455 1051 A N 1.358 124.090 122.820 -0.147 0.000 1.873 1051 A HA -0.001 4.211 4.320 -0.181 0.000 0.215 1051 A C 2.359 179.932 177.584 -0.018 0.000 1.186 1051 A CA 1.348 53.313 52.037 -0.120 0.000 0.616 1051 A CB -0.619 18.328 19.000 -0.090 0.000 0.823 1051 A HN 0.430 nan 8.150 nan 0.000 0.442 1052 M N -0.397 119.222 119.600 0.031 0.000 2.108 1052 M HA -0.189 4.183 4.480 -0.181 0.000 0.261 1052 M C 2.440 178.757 176.300 0.028 0.000 1.066 1052 M CA 1.562 56.897 55.300 0.059 0.000 1.107 1052 M CB -0.565 32.106 32.600 0.118 0.000 1.356 1052 M HN 0.480 nan 8.290 nan 0.000 0.406 1053 A N 0.220 123.046 122.820 0.010 0.000 2.125 1053 A HA -0.070 4.141 4.320 -0.181 0.000 0.219 1053 A C 2.015 179.596 177.584 -0.004 0.000 1.156 1053 A CA 1.025 53.072 52.037 0.017 0.000 0.671 1053 A CB -0.888 18.181 19.000 0.115 0.000 0.794 1053 A HN 0.477 nan 8.150 nan 0.000 0.459 1054 L N -0.886 120.333 121.223 -0.006 0.000 2.362 1054 L HA -0.130 4.102 4.340 -0.181 0.000 0.219 1054 L C 1.841 178.723 176.870 0.020 0.000 1.134 1054 L CA 1.015 55.860 54.840 0.009 0.000 0.807 1054 L CB -0.413 41.668 42.059 0.035 0.000 0.927 1054 L HN 0.474 nan 8.230 nan 0.000 0.447 1055 N N -0.660 118.051 118.700 0.019 0.000 2.463 1055 N HA 0.105 4.737 4.740 -0.181 0.000 0.181 1055 N C 0.523 176.038 175.510 0.010 0.000 1.078 1055 N CA 0.057 53.120 53.050 0.022 0.000 0.902 1055 N CB 0.339 38.845 38.487 0.032 0.000 0.970 1055 N HN 0.242 nan 8.380 nan 0.000 0.451 1056 A N 0.167 122.985 122.820 -0.004 0.000 2.288 1056 A HA 0.439 4.650 4.320 -0.181 0.000 0.328 1056 A C -1.095 176.468 177.584 -0.035 0.000 1.123 1056 A CA -0.434 51.593 52.037 -0.017 0.000 0.861 1056 A CB 1.070 20.055 19.000 -0.025 0.000 1.272 1056 A HN 0.021 nan 8.150 nan 0.000 0.490 1057 D N 0.107 120.479 120.400 -0.046 0.000 2.440 1057 D HA 0.516 5.048 4.640 -0.181 0.000 0.252 1057 D C 0.790 177.036 176.300 -0.089 0.000 1.180 1057 D CA 0.225 54.183 54.000 -0.069 0.000 0.894 1057 D CB 1.294 42.058 40.800 -0.060 0.000 1.111 1057 D HN 0.491 nan 8.370 nan 0.000 0.544 1058 A N 2.536 125.285 122.820 -0.118 0.000 2.076 1058 A HA -0.126 4.085 4.320 -0.181 0.000 0.220 1058 A C 1.722 179.217 177.584 -0.149 0.000 1.160 1058 A CA 2.016 53.972 52.037 -0.135 0.000 0.653 1058 A CB -0.405 18.499 19.000 -0.160 0.000 0.801 1058 A HN 0.559 nan 8.150 nan 0.000 0.455 1059 T N -3.756 110.698 114.554 -0.168 0.000 3.134 1059 T HA 0.238 4.479 4.350 -0.181 0.000 0.260 1059 T C 1.173 175.794 174.700 -0.132 0.000 1.027 1059 T CA 0.608 62.601 62.100 -0.179 0.000 0.913 1059 T CB 0.216 68.938 68.868 -0.243 0.000 1.046 1059 T HN 0.542 nan 8.240 nan 0.000 0.553 1060 E N 1.631 121.772 120.200 -0.098 0.000 2.051 1060 E HA 0.052 4.294 4.350 -0.181 0.000 0.189 1060 E C 0.668 177.233 176.600 -0.059 0.000 0.979 1060 E CA 0.574 56.932 56.400 -0.069 0.000 0.803 1060 E CB 0.250 29.921 29.700 -0.048 0.000 0.761 1060 E HN 0.638 nan 8.360 nan 0.000 0.451 1061 K N 0.205 120.572 120.400 -0.055 0.000 2.501 1061 K HA 0.318 4.530 4.320 -0.181 0.000 0.252 1061 K C -1.156 175.423 176.600 -0.036 0.000 0.934 1061 K CA -0.767 55.497 56.287 -0.039 0.000 0.797 1061 K CB 2.204 34.694 32.500 -0.016 0.000 1.270 1061 K HN -0.022 nan 8.250 nan 0.000 0.431 1062 V N 1.956 121.854 119.914 -0.027 0.000 2.628 1062 V HA 0.739 4.750 4.120 -0.181 0.000 0.306 1062 V C -0.572 175.603 176.094 0.135 0.000 1.045 1062 V CA -0.784 61.529 62.300 0.022 0.000 0.905 1062 V CB 1.486 33.257 31.823 -0.088 0.000 0.997 1062 V HN 0.903 nan 8.190 nan 0.000 0.436 1063 I N 3.546 124.226 120.570 0.182 0.000 2.656 1063 I HA 0.587 4.648 4.170 -0.181 0.000 0.292 1063 I C 0.139 176.186 176.117 -0.116 0.000 1.144 1063 I CA -0.238 61.104 61.300 0.070 0.000 1.038 1063 I CB 2.551 40.510 38.000 -0.069 0.000 1.244 1063 I HN 1.093 nan 8.210 nan 0.000 0.420 1064 S N 5.194 120.646 115.700 -0.413 0.000 2.601 1064 S HA 0.238 4.600 4.470 -0.181 0.000 0.271 1064 S C 1.073 175.400 174.600 -0.454 0.000 1.305 1064 S CA -0.613 57.131 58.200 -0.760 0.000 1.022 1064 S CB 1.778 64.497 63.200 -0.802 0.000 0.940 1064 S HN 0.487 nan 8.310 nan 0.000 0.525 1065 V N 2.859 122.501 119.914 -0.453 0.000 2.392 1065 V HA -0.211 3.801 4.120 -0.181 0.000 0.249 1065 V C 2.638 178.431 176.094 -0.502 0.000 1.059 1065 V CA 2.149 64.165 62.300 -0.474 0.000 1.051 1065 V CB -1.460 30.108 31.823 -0.425 0.000 0.658 1065 V HN 0.855 nan 8.190 nan 0.000 0.455 1066 Q N 0.232 119.825 119.800 -0.345 0.000 2.124 1066 Q HA -0.177 4.055 4.340 -0.181 0.000 0.202 1066 Q C 2.216 178.141 176.000 -0.124 0.000 0.977 1066 Q CA 1.751 57.429 55.803 -0.208 0.000 0.850 1066 Q CB -0.337 28.310 28.738 -0.152 0.000 0.901 1066 Q HN 0.718 nan 8.270 nan 0.000 0.429 1067 E N -0.057 120.050 120.200 -0.155 0.000 2.072 1067 E HA -0.149 4.093 4.350 -0.181 0.000 0.191 1067 E C 1.960 178.532 176.600 -0.047 0.000 0.985 1067 E CA 1.040 57.388 56.400 -0.088 0.000 0.801 1067 E CB -0.137 29.501 29.700 -0.104 0.000 0.750 1067 E HN 0.336 nan 8.360 nan 0.000 0.452 1068 M N 0.034 119.558 119.600 -0.126 0.000 2.073 1068 M HA -0.242 4.130 4.480 -0.181 0.000 0.258 1068 M C 2.098 178.558 176.300 0.266 0.000 1.070 1068 M CA 1.759 57.012 55.300 -0.079 0.000 1.103 1068 M CB -0.467 31.957 32.600 -0.293 0.000 1.321 1068 M HN 0.274 nan 8.290 nan 0.000 0.405 1069 H N -1.164 117.924 119.070 0.030 0.000 2.457 1069 H HA -0.007 4.440 4.556 -0.181 0.000 0.294 1069 H C 2.105 177.457 175.328 0.041 0.000 1.064 1069 H CA 0.628 56.709 56.048 0.054 0.000 1.330 1069 H CB 0.073 29.845 29.762 0.016 0.000 1.395 1069 H HN 0.464 nan 8.280 nan 0.000 0.541 1070 A N 1.023 123.933 122.820 0.151 0.000 1.969 1070 A HA -0.158 4.054 4.320 -0.181 0.000 0.218 1070 A C 2.103 179.733 177.584 0.077 0.000 1.169 1070 A CA 0.996 53.083 52.037 0.083 0.000 0.635 1070 A CB -0.230 18.797 19.000 0.045 0.000 0.810 1070 A HN 0.430 nan 8.150 nan 0.000 0.445 1071 Q N -0.473 119.394 119.800 0.110 0.000 2.437 1071 Q HA 0.080 4.311 4.340 -0.181 0.000 0.210 1071 Q C -0.135 175.912 176.000 0.079 0.000 0.972 1071 Q CA 0.168 56.037 55.803 0.109 0.000 0.903 1071 Q CB -0.132 28.713 28.738 0.179 0.000 0.967 1071 Q HN 0.620 nan 8.270 nan 0.000 0.486 1072 I N 1.845 122.458 120.570 0.071 0.000 2.416 1072 I HA 0.065 4.126 4.170 -0.181 0.000 0.288 1072 I C 0.205 176.317 176.117 -0.008 0.000 1.051 1072 I CA -0.144 61.160 61.300 0.006 0.000 1.375 1072 I CB 0.762 38.747 38.000 -0.025 0.000 1.407 1072 I HN -0.125 nan 8.210 nan 0.000 0.516 1073 K N 0.000 120.386 120.400 -0.024 0.000 2.780 1073 K HA 0.000 4.212 4.320 -0.181 0.000 0.191 1073 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 1073 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543