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 1r9j_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMASIEKVAN CIRCLAADIV QGGKSGHPGT PMGMAPMSAV LWTEVMKYNS DATA SEQUENCE QDPDWVDRDR FVMSNGHGCA LQYALLHMAG YNLTMDDLKG FRQDGSRTPG DATA SEQUENCE HPERFVTPGV EVTTGPLGQG IANAVGLAIA EAHLAATFNR PGYNIVDHYT DATA SEQUENCE YVYCGDGCLM EGVCQEALSL AGHLALEKLI VIYDSNYISI DGSTSLSFTE DATA SEQUENCE QCHQKYVAMG FHVIEVKNGD TDYEGLRKAL AEAKATKGKP KMIVQTTTIG DATA SEQUENCE FGSSKQGTEK VHGAPLGEED IANIKAKFGR DPQKKYDVDD DVRAVFRMHI DATA SEQUENCE DKCSAEQKAW EELLAKYTAA FPAEGAAFVA QMRGELPSGW EAKLPTNSSA DATA SEQUENCE IATRKASENC LAVLFPAIPA LMGGSADLTP SNLTRPASAN LVDFSSSSKE DATA SEQUENCE GRYIRFGVRE HAMCAILNGL DAHDGIIPFG GTFLNFIGYA LGAVRLAAIS DATA SEQUENCE HHRVIYVATH DSIGVGEDGP THQPVELVAA LRAMPNLQVI RPSDQTETSG DATA SEQUENCE AWAVALSSIH TPTVLCLSRQ NTEPQSGSSI EGVRHGAYSV VDVPDLQLVI DATA SEQUENCE VASGSEVSLA VDAAKALSGE LRVRVVSMPC QELFDAQPDT YRQAVLPAGV DATA SEQUENCE PVVSVEAYVS FGWEKYSHAH VGMSGFGASA PAGVLYKKFG ITVEEVVRTG DATA SEQUENCE RELAKRFPDG TAPLKNSSFS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.329 175.328 0.002 0.000 0.993 0 H CA 0.000 56.049 56.048 0.002 0.000 1.023 0 H CB 0.000 29.764 29.762 0.003 0.000 1.292 1 M N 2.697 122.041 119.600 -0.428 0.000 2.053 1 M HA 0.347 4.823 4.480 -0.006 0.000 0.297 1 M C -0.076 175.800 176.300 -0.705 0.000 0.921 1 M CA -0.482 54.586 55.300 -0.386 0.000 0.918 1 M CB 0.758 33.264 32.600 -0.156 0.000 1.499 1 M HN 0.620 nan 8.290 nan 0.000 0.422 2 A N 2.889 125.359 122.820 -0.584 0.000 2.555 2 A HA 0.350 4.667 4.320 -0.006 0.000 0.233 2 A C 0.803 178.234 177.584 -0.256 0.000 1.060 2 A CA 0.157 51.951 52.037 -0.406 0.000 0.759 2 A CB -0.047 18.840 19.000 -0.187 0.000 0.995 2 A HN 0.889 nan 8.150 nan 0.000 0.506 3 S N 1.569 117.166 115.700 -0.171 0.000 2.600 3 S HA 0.231 4.697 4.470 -0.006 0.000 0.265 3 S C 1.099 175.560 174.600 -0.231 0.000 1.325 3 S CA 0.096 58.199 58.200 -0.163 0.000 1.002 3 S CB 0.418 63.547 63.200 -0.118 0.000 0.921 3 S HN 0.938 nan 8.310 nan 0.000 0.554 4 I N 1.058 121.440 120.570 -0.312 0.000 2.335 4 I HA -0.140 4.027 4.170 -0.006 0.000 0.251 4 I C 2.421 178.194 176.117 -0.574 0.000 1.129 4 I CA 1.725 62.765 61.300 -0.432 0.000 1.402 4 I CB -0.748 36.937 38.000 -0.525 0.000 1.069 4 I HN 1.002 nan 8.210 nan 0.000 0.424 5 E N 0.238 120.071 120.200 -0.611 0.000 2.106 5 E HA -0.293 4.053 4.350 -0.006 0.000 0.192 5 E C 2.288 178.760 176.600 -0.214 0.000 0.984 5 E CA 1.151 57.287 56.400 -0.441 0.000 0.806 5 E CB -0.185 29.360 29.700 -0.258 0.000 0.750 5 E HN 0.507 nan 8.360 nan 0.000 0.458 6 K N 0.182 120.483 120.400 -0.165 0.000 2.097 6 K HA -0.097 4.220 4.320 -0.006 0.000 0.205 6 K C 2.010 178.562 176.600 -0.081 0.000 1.050 6 K CA 1.137 57.368 56.287 -0.093 0.000 0.938 6 K CB 0.118 32.588 32.500 -0.050 0.000 0.718 6 K HN 0.034 nan 8.250 nan 0.000 0.442 7 V N 1.352 121.208 119.914 -0.096 0.000 2.295 7 V HA -0.248 3.868 4.120 -0.006 0.000 0.246 7 V C 2.443 178.528 176.094 -0.015 0.000 1.049 7 V CA 2.033 64.317 62.300 -0.028 0.000 1.024 7 V CB -0.682 31.102 31.823 -0.065 0.000 0.648 7 V HN 0.496 nan 8.190 nan 0.000 0.447 8 A N 0.272 123.057 122.820 -0.059 0.000 1.902 8 A HA -0.210 4.106 4.320 -0.006 0.000 0.217 8 A C 2.044 179.566 177.584 -0.103 0.000 1.181 8 A CA 1.934 53.956 52.037 -0.026 0.000 0.623 8 A CB -0.631 18.415 19.000 0.076 0.000 0.818 8 A HN 0.584 nan 8.150 nan 0.000 0.443 9 N N -0.570 118.009 118.700 -0.201 0.000 2.309 9 N HA -0.123 4.614 4.740 -0.006 0.000 0.182 9 N C 1.689 177.117 175.510 -0.138 0.000 1.018 9 N CA 1.265 54.089 53.050 -0.378 0.000 0.876 9 N CB -0.817 37.350 38.487 -0.533 0.000 0.972 9 N HN 0.587 nan 8.380 nan 0.000 0.434 10 C N 0.622 119.889 119.300 -0.056 0.000 2.466 10 C HA 0.119 4.576 4.460 -0.006 0.000 0.278 10 C C 2.635 177.625 174.990 -0.000 0.000 1.288 10 C CA 0.015 59.035 59.018 0.003 0.000 1.722 10 C CB -1.044 26.713 27.740 0.028 0.000 2.017 10 C HN 0.328 nan 8.230 nan 0.000 0.488 11 I N 0.559 121.125 120.570 -0.007 0.000 2.179 11 I HA -0.200 3.966 4.170 -0.006 0.000 0.242 11 I C 2.886 178.987 176.117 -0.028 0.000 1.088 11 I CA 1.614 62.900 61.300 -0.023 0.000 1.357 11 I CB -0.592 37.395 38.000 -0.021 0.000 1.051 11 I HN 0.338 nan 8.210 nan 0.000 0.409 12 R N -0.015 120.477 120.500 -0.014 0.000 2.096 12 R HA -0.204 4.133 4.340 -0.006 0.000 0.240 12 R C 2.414 178.748 176.300 0.057 0.000 1.139 12 R CA 1.976 58.098 56.100 0.037 0.000 0.952 12 R CB -0.756 29.598 30.300 0.090 0.000 0.854 12 R HN 0.441 nan 8.270 nan 0.000 0.436 13 C N 0.338 119.681 119.300 0.071 0.000 2.440 13 C HA -0.035 4.421 4.460 -0.006 0.000 0.278 13 C C 2.539 177.503 174.990 -0.043 0.000 1.295 13 C CA 0.042 59.090 59.018 0.050 0.000 1.738 13 C CB -0.828 26.963 27.740 0.086 0.000 1.987 13 C HN 0.414 nan 8.230 nan 0.000 0.492 14 L N 1.818 123.013 121.223 -0.046 0.000 2.056 14 L HA 0.031 4.368 4.340 -0.006 0.000 0.207 14 L C 2.582 179.381 176.870 -0.119 0.000 1.078 14 L CA 2.196 56.987 54.840 -0.082 0.000 0.749 14 L CB -0.979 41.060 42.059 -0.033 0.000 0.901 14 L HN 0.256 nan 8.230 nan 0.000 0.433 15 A N -0.566 122.193 122.820 -0.101 0.000 1.902 15 A HA -0.113 4.204 4.320 -0.006 0.000 0.217 15 A C 2.447 179.944 177.584 -0.144 0.000 1.181 15 A CA 1.773 53.729 52.037 -0.135 0.000 0.623 15 A CB -1.099 17.837 19.000 -0.105 0.000 0.818 15 A HN 0.538 nan 8.150 nan 0.000 0.443 16 A N -0.038 122.723 122.820 -0.099 0.000 1.902 16 A HA -0.179 4.138 4.320 -0.006 0.000 0.217 16 A C 1.772 179.267 177.584 -0.149 0.000 1.181 16 A CA 1.884 53.867 52.037 -0.090 0.000 0.623 16 A CB -0.538 18.435 19.000 -0.046 0.000 0.818 16 A HN 0.454 nan 8.150 nan 0.000 0.443 17 D N -0.103 120.154 120.400 -0.239 0.000 2.144 17 D HA -0.062 4.575 4.640 -0.006 0.000 0.200 17 D C 1.875 177.953 176.300 -0.371 0.000 0.978 17 D CA 0.829 54.570 54.000 -0.431 0.000 0.833 17 D CB -0.290 40.038 40.800 -0.788 0.000 0.961 17 D HN 0.518 nan 8.370 nan 0.000 0.470 18 I N 0.462 120.889 120.570 -0.238 0.000 2.142 18 I HA -0.241 3.926 4.170 -0.006 0.000 0.240 18 I C 2.379 178.407 176.117 -0.148 0.000 1.078 18 I CA 0.744 61.973 61.300 -0.117 0.000 1.343 18 I CB -0.181 37.640 38.000 -0.299 0.000 1.046 18 I HN -0.103 nan 8.210 nan 0.000 0.405 19 V N 0.277 120.069 119.914 -0.203 0.000 2.343 19 V HA -0.301 3.816 4.120 -0.006 0.000 0.247 19 V C 2.431 178.592 176.094 0.110 0.000 1.051 19 V CA 1.914 64.219 62.300 0.007 0.000 1.036 19 V CB -0.688 31.131 31.823 -0.006 0.000 0.654 19 V HN 0.416 nan 8.190 nan 0.000 0.451 20 Q N 1.009 120.820 119.800 0.018 0.000 2.096 20 Q HA -0.124 4.212 4.340 -0.006 0.000 0.204 20 Q C 2.165 178.213 176.000 0.081 0.000 0.982 20 Q CA 2.121 57.938 55.803 0.023 0.000 0.850 20 Q CB -0.968 27.746 28.738 -0.041 0.000 0.901 20 Q HN 0.582 nan 8.270 nan 0.000 0.422 21 G N -1.184 107.696 108.800 0.133 0.000 2.471 21 G HA2 -0.135 3.821 3.960 -0.006 0.000 0.219 21 G HA3 -0.135 3.821 3.960 -0.006 0.000 0.219 21 G C 1.185 176.209 174.900 0.206 0.000 1.125 21 G CA 0.571 45.809 45.100 0.229 0.000 0.775 21 G HN 0.510 nan 8.290 nan 0.000 0.548 22 G N -0.326 108.634 108.800 0.267 0.000 3.042 22 G HA2 0.207 4.164 3.960 -0.006 0.000 0.212 22 G HA3 0.207 4.164 3.960 -0.006 0.000 0.212 22 G C 0.832 175.802 174.900 0.117 0.000 1.166 22 G CA 0.243 45.476 45.100 0.221 0.000 0.767 22 G HN 0.420 nan 8.290 nan 0.000 0.546 23 K N -0.833 119.633 120.400 0.111 0.000 3.020 23 K HA -0.207 4.109 4.320 -0.006 0.000 0.266 23 K C 0.101 176.729 176.600 0.045 0.000 1.067 23 K CA 0.803 57.127 56.287 0.061 0.000 0.780 23 K CB -1.708 30.816 32.500 0.040 0.000 1.220 23 K HN 0.420 nan 8.250 nan 0.000 0.483 24 S N -1.835 113.909 115.700 0.074 0.000 2.578 24 S HA 0.708 5.174 4.470 -0.006 0.000 0.272 24 S C -0.698 173.972 174.600 0.117 0.000 1.145 24 S CA 0.268 58.488 58.200 0.034 0.000 0.835 24 S CB 2.016 65.205 63.200 -0.018 0.000 1.104 24 S HN 0.997 nan 8.310 nan 0.000 0.458 25 G N 2.111 110.926 108.800 0.024 0.000 2.343 25 G HA2 0.252 4.208 3.960 -0.006 0.000 0.465 25 G HA3 0.252 4.208 3.960 -0.006 0.000 0.465 25 G C -2.129 172.686 174.900 -0.141 0.000 1.282 25 G CA -0.776 44.410 45.100 0.144 0.000 0.996 25 G HN 1.070 nan 8.290 nan 0.000 0.521 26 H N 1.074 120.199 119.070 0.092 0.000 2.685 26 H HA 0.534 5.086 4.556 -0.006 0.000 0.307 26 H C -1.559 173.748 175.328 -0.035 0.000 1.017 26 H CA -1.398 54.640 56.048 -0.016 0.000 1.237 26 H CB 2.135 31.871 29.762 -0.043 0.000 1.409 26 H HN 0.355 nan 8.280 nan 0.000 0.488 27 P HA 0.007 nan 4.420 nan 0.000 0.228 27 P C 1.564 178.882 177.300 0.031 0.000 1.166 27 P CA 0.672 63.782 63.100 0.016 0.000 0.812 27 P CB 0.521 32.224 31.700 0.005 0.000 0.857 28 G N 1.055 109.886 108.800 0.051 0.000 2.628 28 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.217 28 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.217 28 G C 1.588 176.529 174.900 0.068 0.000 1.240 28 G CA 2.068 47.215 45.100 0.077 0.000 0.792 28 G HN 0.171 nan 8.290 nan 0.000 0.593 29 T N 2.208 116.793 114.554 0.051 0.000 2.720 29 T HA -0.062 4.284 4.350 -0.006 0.000 0.268 29 T C 0.301 174.991 174.700 -0.017 0.000 1.037 29 T CA 1.715 63.822 62.100 0.012 0.000 1.144 29 T CB -0.890 67.950 68.868 -0.047 0.000 0.864 29 T HN 0.237 nan 8.240 nan 0.000 0.444 30 P HA -0.062 nan 4.420 nan 0.000 0.215 30 P C 1.589 178.884 177.300 -0.009 0.000 1.157 30 P CA 1.311 64.387 63.100 -0.040 0.000 0.874 30 P CB -0.132 31.527 31.700 -0.068 0.000 0.790 31 M N -1.680 117.936 119.600 0.027 0.000 2.175 31 M HA -0.040 4.437 4.480 -0.006 0.000 0.264 31 M C 2.265 178.613 176.300 0.080 0.000 1.063 31 M CA 2.019 57.367 55.300 0.079 0.000 1.119 31 M CB -1.271 31.411 32.600 0.136 0.000 1.377 31 M HN -0.002 nan 8.290 nan 0.000 0.415 32 G N 0.045 108.879 108.800 0.056 0.000 2.422 32 G HA2 -0.131 3.825 3.960 -0.006 0.000 0.218 32 G HA3 -0.131 3.825 3.960 -0.006 0.000 0.218 32 G C 1.409 176.263 174.900 -0.077 0.000 1.140 32 G CA 0.409 45.515 45.100 0.011 0.000 0.775 32 G HN 0.390 nan 8.290 nan 0.000 0.545 33 M N 0.744 120.299 119.600 -0.075 0.000 2.431 33 M HA 0.324 4.800 4.480 -0.006 0.000 0.237 33 M C 2.549 178.808 176.300 -0.068 0.000 1.130 33 M CA 0.101 55.326 55.300 -0.126 0.000 1.002 33 M CB 0.617 33.118 32.600 -0.166 0.000 1.524 33 M HN 0.266 nan 8.290 nan 0.000 0.482 34 A N 1.764 124.557 122.820 -0.046 0.000 1.883 34 A HA -0.076 4.240 4.320 -0.006 0.000 0.217 34 A C -0.461 177.121 177.584 -0.005 0.000 1.186 34 A CA 1.539 53.562 52.037 -0.024 0.000 0.624 34 A CB -1.696 17.292 19.000 -0.020 0.000 0.822 34 A HN 0.277 nan 8.150 nan 0.000 0.444 35 P HA -0.194 nan 4.420 nan 0.000 0.214 35 P C 1.797 179.103 177.300 0.009 0.000 1.163 35 P CA 1.711 64.805 63.100 -0.010 0.000 0.883 35 P CB -0.167 31.337 31.700 -0.327 0.000 0.788 36 M N -0.494 119.065 119.600 -0.069 0.000 2.117 36 M HA -0.111 4.365 4.480 -0.006 0.000 0.262 36 M C 1.908 178.270 176.300 0.104 0.000 1.065 36 M CA 1.890 57.178 55.300 -0.021 0.000 1.114 36 M CB -1.335 31.203 32.600 -0.104 0.000 1.361 36 M HN -0.260 nan 8.290 nan 0.000 0.408 37 S N 0.636 116.418 115.700 0.136 0.000 2.368 37 S HA -0.060 4.407 4.470 -0.006 0.000 0.225 37 S C 2.082 176.772 174.600 0.150 0.000 1.030 37 S CA 1.235 59.562 58.200 0.211 0.000 0.999 37 S CB -0.873 62.359 63.200 0.053 0.000 0.844 37 S HN 0.708 nan 8.310 nan 0.000 0.459 38 A N 1.243 124.113 122.820 0.083 0.000 1.883 38 A HA -0.085 4.232 4.320 -0.006 0.000 0.217 38 A C 2.364 179.935 177.584 -0.021 0.000 1.186 38 A CA 1.768 53.821 52.037 0.027 0.000 0.624 38 A CB -0.981 18.039 19.000 0.034 0.000 0.822 38 A HN 0.347 nan 8.150 nan 0.000 0.444 39 V N -0.373 119.564 119.914 0.037 0.000 2.270 39 V HA -0.209 3.908 4.120 -0.006 0.000 0.245 39 V C 2.480 178.547 176.094 -0.045 0.000 1.043 39 V CA 1.895 64.191 62.300 -0.006 0.000 1.014 39 V CB -0.859 30.991 31.823 0.045 0.000 0.645 39 V HN 0.584 nan 8.190 nan 0.000 0.447 40 L N -0.640 120.599 121.223 0.026 0.000 2.012 40 L HA -0.156 4.181 4.340 -0.006 0.000 0.210 40 L C 2.005 178.826 176.870 -0.081 0.000 1.073 40 L CA 2.166 56.980 54.840 -0.043 0.000 0.748 40 L CB -0.785 41.309 42.059 0.058 0.000 0.891 40 L HN 0.434 nan 8.230 nan 0.000 0.431 41 W N -0.702 120.494 121.300 -0.175 0.000 2.678 41 W HA 0.063 4.720 4.660 -0.006 0.000 0.256 41 W C 2.273 178.628 176.519 -0.273 0.000 1.280 41 W CA 1.391 58.684 57.345 -0.086 0.000 1.345 41 W CB -0.645 28.824 29.460 0.015 0.000 1.118 41 W HN 0.408 nan 8.180 nan 0.000 0.629 42 T N -4.730 109.587 114.554 -0.395 0.000 3.044 42 T HA 0.247 4.594 4.350 -0.006 0.000 0.260 42 T C 1.102 175.302 174.700 -0.832 0.000 1.019 42 T CA 0.290 61.948 62.100 -0.736 0.000 0.921 42 T CB 0.252 68.687 68.868 -0.722 0.000 1.053 42 T HN 0.088 nan 8.240 nan 0.000 0.533 43 E N -0.131 119.670 120.200 -0.664 0.000 2.583 43 E HA 0.228 4.574 4.350 -0.006 0.000 0.204 43 E C 1.367 177.865 176.600 -0.169 0.000 0.860 43 E CA 0.200 56.384 56.400 -0.359 0.000 1.473 43 E CB 0.979 30.571 29.700 -0.180 0.000 1.469 43 E HN 0.239 nan 8.360 nan 0.000 0.788 44 V N 0.957 120.774 119.914 -0.162 0.000 2.743 44 V HA 0.162 4.278 4.120 -0.006 0.000 0.237 44 V C 1.046 177.147 176.094 0.012 0.000 1.113 44 V CA 0.209 62.477 62.300 -0.053 0.000 1.141 44 V CB 0.163 31.927 31.823 -0.098 0.000 0.873 44 V HN 0.192 nan 8.190 nan 0.000 0.486 45 M N 2.070 121.625 119.600 -0.075 0.000 2.252 45 M HA 0.116 4.592 4.480 -0.006 0.000 0.348 45 M C 0.135 176.619 176.300 0.307 0.000 1.334 45 M CA 0.503 55.809 55.300 0.011 0.000 1.071 45 M CB 0.242 32.654 32.600 -0.312 0.000 1.763 45 M HN 0.092 nan 8.290 nan 0.000 0.452 46 K N 6.525 127.074 120.400 0.247 0.000 2.264 46 K HA 0.281 4.597 4.320 -0.006 0.000 0.277 46 K C -2.053 174.664 176.600 0.195 0.000 1.067 46 K CA -0.170 56.214 56.287 0.161 0.000 0.900 46 K CB 0.411 32.978 32.500 0.111 0.000 1.124 46 K HN 0.731 nan 8.250 nan 0.000 0.469 47 Y N 0.328 120.670 120.300 0.071 0.000 2.641 47 Y HA 0.395 4.942 4.550 -0.006 0.000 0.333 47 Y C -1.563 174.437 175.900 0.166 0.000 1.174 47 Y CA -1.386 56.784 58.100 0.116 0.000 1.057 47 Y CB 1.000 39.461 38.460 0.002 0.000 1.322 47 Y HN 0.364 nan 8.280 nan 0.000 0.457 48 N N 1.064 119.903 118.700 0.231 0.000 2.524 48 N HA 0.193 4.930 4.740 -0.006 0.000 0.261 48 N C 0.262 175.698 175.510 -0.122 0.000 0.998 48 N CA 0.018 53.048 53.050 -0.033 0.000 0.915 48 N CB 1.807 40.262 38.487 -0.053 0.000 1.187 48 N HN 0.839 nan 8.380 nan 0.000 0.507 49 S N 2.548 118.055 115.700 -0.322 0.000 2.469 49 S HA -0.117 4.349 4.470 -0.006 0.000 0.238 49 S C 1.025 175.342 174.600 -0.470 0.000 0.998 49 S CA 0.789 58.480 58.200 -0.848 0.000 0.957 49 S CB 0.015 62.852 63.200 -0.605 0.000 0.764 49 S HN 0.525 nan 8.310 nan 0.000 0.514 50 Q N 0.827 120.486 119.800 -0.235 0.000 2.425 50 Q HA 0.277 4.614 4.340 -0.006 0.000 0.204 50 Q C -0.284 175.671 176.000 -0.075 0.000 0.933 50 Q CA 0.491 56.215 55.803 -0.131 0.000 0.939 50 Q CB -0.007 28.665 28.738 -0.111 0.000 1.044 50 Q HN 0.625 nan 8.270 nan 0.000 0.513 51 D N -0.575 119.791 120.400 -0.055 0.000 2.527 51 D HA 0.206 4.842 4.640 -0.006 0.000 0.242 51 D C -2.277 174.098 176.300 0.126 0.000 1.285 51 D CA -1.692 52.326 54.000 0.030 0.000 0.886 51 D CB 1.216 42.017 40.800 0.001 0.000 1.402 51 D HN -0.197 nan 8.370 nan 0.000 0.528 52 P HA 0.023 nan 4.420 nan 0.000 0.228 52 P C 0.362 177.770 177.300 0.180 0.000 1.151 52 P CA 0.703 63.961 63.100 0.264 0.000 0.770 52 P CB 0.399 32.302 31.700 0.339 0.000 0.786 53 D N -2.979 117.511 120.400 0.150 0.000 2.349 53 D HA -0.027 4.610 4.640 -0.006 0.000 0.214 53 D C 0.303 176.676 176.300 0.121 0.000 1.063 53 D CA -0.148 53.917 54.000 0.108 0.000 0.847 53 D CB -0.275 40.586 40.800 0.101 0.000 0.933 53 D HN 0.183 nan 8.370 nan 0.000 0.513 54 W N 3.663 124.913 121.300 -0.083 0.000 2.534 54 W HA -0.070 4.587 4.660 -0.006 0.000 0.340 54 W C 1.466 177.812 176.519 -0.289 0.000 1.352 54 W CA -0.769 56.472 57.345 -0.175 0.000 1.305 54 W CB 0.279 29.627 29.460 -0.186 0.000 1.299 54 W HN -0.172 nan 8.180 nan 0.000 0.572 55 V N 2.783 122.616 119.914 -0.135 0.000 2.720 55 V HA -0.184 3.933 4.120 -0.006 0.000 0.256 55 V C 1.236 176.900 176.094 -0.717 0.000 1.082 55 V CA 2.361 64.450 62.300 -0.352 0.000 1.101 55 V CB -0.475 31.297 31.823 -0.086 0.000 0.693 55 V HN 0.596 nan 8.190 nan 0.000 0.479 56 D N 0.485 120.082 120.400 -1.339 0.000 2.388 56 D HA 0.138 4.774 4.640 -0.006 0.000 0.221 56 D C 0.998 176.352 176.300 -1.576 0.000 1.133 56 D CA -0.390 52.849 54.000 -1.270 0.000 0.831 56 D CB 0.000 40.056 40.800 -1.241 0.000 0.962 56 D HN 0.773 nan 8.370 nan 0.000 0.502 57 R N -0.020 119.476 120.500 -1.674 0.000 2.641 57 R HA 0.227 4.564 4.340 -0.006 0.000 0.269 57 R C -0.366 175.518 176.300 -0.692 0.000 1.074 57 R CA -0.443 54.953 56.100 -1.172 0.000 1.133 57 R CB 0.530 30.462 30.300 -0.613 0.000 1.029 57 R HN -0.140 nan 8.270 nan 0.000 0.488 58 D N 1.220 121.458 120.400 -0.269 0.000 2.382 58 D HA 0.127 4.763 4.640 -0.006 0.000 0.240 58 D C -0.229 176.063 176.300 -0.012 0.000 1.146 58 D CA 0.057 54.072 54.000 0.026 0.000 0.897 58 D CB 0.732 41.695 40.800 0.272 0.000 1.197 58 D HN 0.298 nan 8.370 nan 0.000 0.432 59 R N 0.352 120.902 120.500 0.083 0.000 2.532 59 R HA 0.537 4.873 4.340 -0.006 0.000 0.295 59 R C -0.957 175.442 176.300 0.165 0.000 0.968 59 R CA -0.669 55.465 56.100 0.057 0.000 0.916 59 R CB 0.841 31.163 30.300 0.037 0.000 1.124 59 R HN 0.343 nan 8.270 nan 0.000 0.463 60 F N 2.465 122.387 119.950 -0.047 0.000 2.529 60 F HA 0.647 5.171 4.527 -0.006 0.000 0.320 60 F C -1.360 174.410 175.800 -0.050 0.000 1.118 60 F CA -0.775 57.195 58.000 -0.051 0.000 0.915 60 F CB 1.438 40.330 39.000 -0.181 0.000 1.161 60 F HN 0.186 nan 8.300 nan 0.000 0.445 61 V N 7.341 126.738 119.914 -0.862 0.000 2.638 61 V HA 0.386 4.503 4.120 -0.006 0.000 0.306 61 V C -0.549 175.045 176.094 -0.832 0.000 1.052 61 V CA -0.773 61.166 62.300 -0.602 0.000 0.885 61 V CB 1.963 33.624 31.823 -0.270 0.000 0.999 61 V HN 0.862 nan 8.190 nan 0.000 0.424 62 M N 3.367 122.671 119.600 -0.493 0.000 2.385 62 M HA 0.304 4.781 4.480 -0.006 0.000 0.346 62 M C 1.141 177.372 176.300 -0.116 0.000 1.180 62 M CA 0.106 55.233 55.300 -0.289 0.000 1.154 62 M CB 1.044 33.572 32.600 -0.119 0.000 1.251 62 M HN 0.759 nan 8.290 nan 0.000 0.430 63 S N 3.160 118.811 115.700 -0.082 0.000 2.383 63 S HA -0.134 4.332 4.470 -0.006 0.000 0.229 63 S C 0.741 175.355 174.600 0.023 0.000 1.030 63 S CA 1.739 59.920 58.200 -0.031 0.000 1.002 63 S CB -0.443 62.739 63.200 -0.031 0.000 0.829 63 S HN 0.893 nan 8.310 nan 0.000 0.467 64 N N 0.368 119.093 118.700 0.041 0.000 3.245 64 N HA 0.268 5.004 4.740 -0.006 0.000 0.296 64 N C 1.090 176.574 175.510 -0.043 0.000 1.254 64 N CA 0.157 53.257 53.050 0.084 0.000 1.190 64 N CB 0.541 39.070 38.487 0.070 0.000 1.460 64 N HN 0.252 nan 8.380 nan 0.000 0.538 65 G N 1.720 110.566 108.800 0.077 0.000 2.499 65 G HA2 -0.360 3.596 3.960 -0.006 0.000 0.221 65 G HA3 -0.360 3.596 3.960 -0.006 0.000 0.221 65 G C 1.403 176.311 174.900 0.013 0.000 1.109 65 G CA 0.813 45.955 45.100 0.070 0.000 0.749 65 G HN 0.788 nan 8.290 nan 0.000 0.568 66 H N 0.057 119.100 119.070 -0.046 0.000 2.456 66 H HA 0.002 4.555 4.556 -0.006 0.000 0.296 66 H C 2.154 177.288 175.328 -0.324 0.000 1.079 66 H CA 0.958 56.761 56.048 -0.409 0.000 1.322 66 H CB -0.870 28.442 29.762 -0.751 0.000 1.388 66 H HN 0.223 nan 8.280 nan 0.000 0.538 67 G N 1.456 109.865 108.800 -0.652 0.000 3.424 67 G HA2 0.063 4.019 3.960 -0.006 0.000 0.263 67 G HA3 0.063 4.019 3.960 -0.006 0.000 0.263 67 G C 1.419 176.166 174.900 -0.254 0.000 1.310 67 G CA 0.197 45.069 45.100 -0.380 0.000 1.089 67 G HN 0.707 nan 8.290 nan 0.000 0.534 68 C N -1.669 117.476 119.300 -0.260 0.000 2.430 68 C HA 0.253 4.710 4.460 -0.006 0.000 0.288 68 C C 2.942 177.605 174.990 -0.546 0.000 1.448 68 C CA 0.345 59.115 59.018 -0.413 0.000 1.784 68 C CB -1.015 26.444 27.740 -0.468 0.000 1.776 68 C HN 0.500 nan 8.230 nan 0.000 0.547 69 A N 1.218 123.853 122.820 -0.307 0.000 1.978 69 A HA -0.058 4.258 4.320 -0.006 0.000 0.220 69 A C 2.127 179.555 177.584 -0.260 0.000 1.170 69 A CA 1.838 53.667 52.037 -0.346 0.000 0.636 69 A CB -0.615 18.125 19.000 -0.433 0.000 0.810 69 A HN 0.657 nan 8.150 nan 0.000 0.448 70 L N -0.237 120.844 121.223 -0.237 0.000 2.027 70 L HA -0.173 4.163 4.340 -0.006 0.000 0.206 70 L C 2.479 179.173 176.870 -0.293 0.000 1.074 70 L CA 2.728 57.445 54.840 -0.205 0.000 0.745 70 L CB -0.783 41.204 42.059 -0.119 0.000 0.898 70 L HN 0.582 nan 8.230 nan 0.000 0.433 71 Q N -1.983 117.621 119.800 -0.326 0.000 2.119 71 Q HA -0.232 4.105 4.340 -0.006 0.000 0.201 71 Q C 2.098 177.920 176.000 -0.296 0.000 0.972 71 Q CA 1.778 57.359 55.803 -0.371 0.000 0.847 71 Q CB -0.256 28.335 28.738 -0.245 0.000 0.903 71 Q HN 0.591 nan 8.270 nan 0.000 0.433 72 Y N -0.103 120.098 120.300 -0.165 0.000 2.181 72 Y HA -0.096 4.451 4.550 -0.006 0.000 0.288 72 Y C 2.399 178.209 175.900 -0.150 0.000 1.146 72 Y CA 0.844 58.868 58.100 -0.127 0.000 1.164 72 Y CB -1.083 37.325 38.460 -0.086 0.000 0.982 72 Y HN 0.269 nan 8.280 nan 0.000 0.515 73 A N 0.088 122.880 122.820 -0.046 0.000 1.902 73 A HA -0.144 4.173 4.320 -0.006 0.000 0.217 73 A C 2.355 179.823 177.584 -0.194 0.000 1.181 73 A CA 1.583 53.567 52.037 -0.089 0.000 0.623 73 A CB -1.122 17.803 19.000 -0.124 0.000 0.818 73 A HN 0.449 nan 8.150 nan 0.000 0.443 74 L N -0.735 120.250 121.223 -0.397 0.000 2.027 74 L HA -0.166 4.170 4.340 -0.006 0.000 0.206 74 L C 2.578 179.177 176.870 -0.450 0.000 1.074 74 L CA 1.066 55.502 54.840 -0.673 0.000 0.745 74 L CB -0.533 40.626 42.059 -1.500 0.000 0.898 74 L HN 0.371 nan 8.230 nan 0.000 0.433 75 L N -1.000 120.040 121.223 -0.305 0.000 2.042 75 L HA -0.274 4.062 4.340 -0.006 0.000 0.210 75 L C 2.675 179.639 176.870 0.157 0.000 1.076 75 L CA 1.330 56.155 54.840 -0.025 0.000 0.749 75 L CB -0.691 41.304 42.059 -0.106 0.000 0.893 75 L HN 0.341 nan 8.230 nan 0.000 0.432 76 H N 0.066 119.118 119.070 -0.030 0.000 2.299 76 H HA -0.141 4.412 4.556 -0.006 0.000 0.302 76 H C 2.287 177.551 175.328 -0.107 0.000 1.078 76 H CA 1.801 57.834 56.048 -0.025 0.000 1.323 76 H CB -0.046 29.688 29.762 -0.048 0.000 1.381 76 H HN 0.098 nan 8.280 nan 0.000 0.498 77 M N -0.267 119.101 119.600 -0.386 0.000 2.202 77 M HA -0.112 4.364 4.480 -0.006 0.000 0.262 77 M C 2.457 178.308 176.300 -0.749 0.000 1.063 77 M CA 1.513 56.384 55.300 -0.716 0.000 1.097 77 M CB -0.077 31.902 32.600 -1.034 0.000 1.382 77 M HN 0.469 nan 8.290 nan 0.000 0.413 78 A N -0.378 122.214 122.820 -0.380 0.000 2.119 78 A HA 0.258 4.574 4.320 -0.006 0.000 0.217 78 A C 1.791 179.456 177.584 0.134 0.000 1.153 78 A CA 1.164 53.308 52.037 0.179 0.000 0.692 78 A CB -0.708 18.757 19.000 0.776 0.000 0.799 78 A HN 0.667 nan 8.150 nan 0.000 0.458 79 G N -3.073 105.734 108.800 0.011 0.000 2.148 79 G HA2 -0.237 3.719 3.960 -0.006 0.000 0.203 79 G HA3 -0.237 3.719 3.960 -0.006 0.000 0.203 79 G C 0.051 174.967 174.900 0.026 0.000 0.993 79 G CA 0.040 45.122 45.100 -0.029 0.000 0.661 79 G HN 0.372 nan 8.290 nan 0.000 0.518 80 Y N 0.284 120.628 120.300 0.073 0.000 2.335 80 Y HA 0.315 4.862 4.550 -0.006 0.000 0.348 80 Y C 1.331 177.279 175.900 0.080 0.000 1.280 80 Y CA 0.428 58.592 58.100 0.106 0.000 1.504 80 Y CB 0.329 38.876 38.460 0.145 0.000 1.366 80 Y HN 0.106 nan 8.280 nan 0.000 0.621 81 N N 2.182 121.037 118.700 0.258 0.000 3.193 81 N HA 0.061 4.797 4.740 -0.006 0.000 0.312 81 N C -1.795 173.808 175.510 0.156 0.000 1.261 81 N CA 0.231 53.377 53.050 0.161 0.000 1.208 81 N CB -1.030 37.534 38.487 0.128 0.000 1.471 81 N HN 0.446 nan 8.380 nan 0.000 0.548 82 L N 1.416 122.746 121.223 0.177 0.000 2.518 82 L HA 0.314 4.651 4.340 -0.006 0.000 0.262 82 L C 0.288 177.277 176.870 0.198 0.000 0.982 82 L CA -0.424 54.501 54.840 0.141 0.000 0.873 82 L CB 1.242 43.386 42.059 0.143 0.000 1.198 82 L HN 0.205 nan 8.230 nan 0.000 0.427 83 T N 0.684 115.293 114.554 0.091 0.000 2.788 83 T HA 0.207 4.554 4.350 -0.006 0.000 0.280 83 T C 1.114 175.711 174.700 -0.172 0.000 0.984 83 T CA -0.349 61.789 62.100 0.063 0.000 0.972 83 T CB 0.763 69.644 68.868 0.022 0.000 1.039 83 T HN 0.571 nan 8.240 nan 0.000 0.530 84 M N 0.621 120.074 119.600 -0.245 0.000 2.279 84 M HA -0.024 4.452 4.480 -0.006 0.000 0.264 84 M C 1.511 177.617 176.300 -0.324 0.000 1.062 84 M CA 1.424 56.486 55.300 -0.397 0.000 1.099 84 M CB -1.097 31.353 32.600 -0.251 0.000 1.394 84 M HN 0.664 nan 8.290 nan 0.000 0.426 85 D N 0.042 120.317 120.400 -0.209 0.000 2.117 85 D HA -0.169 4.468 4.640 -0.006 0.000 0.198 85 D C 1.485 177.682 176.300 -0.172 0.000 0.982 85 D CA 1.338 55.227 54.000 -0.184 0.000 0.828 85 D CB -0.349 40.383 40.800 -0.112 0.000 0.967 85 D HN 0.417 nan 8.370 nan 0.000 0.464 86 D N 0.916 121.228 120.400 -0.147 0.000 2.123 86 D HA -0.102 4.535 4.640 -0.006 0.000 0.196 86 D C 2.445 178.651 176.300 -0.156 0.000 0.992 86 D CA 0.438 54.358 54.000 -0.134 0.000 0.833 86 D CB -0.194 40.537 40.800 -0.115 0.000 0.954 86 D HN 0.248 nan 8.370 nan 0.000 0.455 87 L N 0.583 121.690 121.223 -0.194 0.000 2.083 87 L HA -0.158 4.179 4.340 -0.006 0.000 0.209 87 L C 2.265 179.082 176.870 -0.088 0.000 1.083 87 L CA 1.149 55.905 54.840 -0.140 0.000 0.752 87 L CB -0.353 41.609 42.059 -0.161 0.000 0.899 87 L HN -0.033 nan 8.230 nan 0.000 0.433 88 K N 0.017 120.250 120.400 -0.280 0.000 2.439 88 K HA -0.033 4.283 4.320 -0.006 0.000 0.197 88 K C 1.707 178.272 176.600 -0.059 0.000 1.041 88 K CA 0.846 56.965 56.287 -0.281 0.000 0.970 88 K CB -0.162 32.065 32.500 -0.456 0.000 0.773 88 K HN 0.342 nan 8.250 nan 0.000 0.479 89 G N 0.720 109.492 108.800 -0.047 0.000 3.233 89 G HA2 -0.058 3.898 3.960 -0.006 0.000 0.227 89 G HA3 -0.058 3.898 3.960 -0.006 0.000 0.227 89 G C -0.073 174.850 174.900 0.037 0.000 1.175 89 G CA -0.547 44.542 45.100 -0.017 0.000 0.781 89 G HN 0.119 nan 8.290 nan 0.000 0.542 90 F N 1.963 121.874 119.950 -0.066 0.000 2.604 90 F HA 0.072 4.596 4.527 -0.006 0.000 0.393 90 F C 1.510 177.311 175.800 0.002 0.000 1.043 90 F CA 0.064 58.045 58.000 -0.033 0.000 1.227 90 F CB 0.248 39.272 39.000 0.040 0.000 1.016 90 F HN 0.323 nan 8.300 nan 0.000 0.556 91 R N 2.131 122.285 120.500 -0.576 0.000 3.758 91 R HA -0.261 4.075 4.340 -0.006 0.000 0.299 91 R C -0.506 175.675 176.300 -0.198 0.000 1.182 91 R CA 1.046 56.861 56.100 -0.477 0.000 0.809 91 R CB -1.727 28.188 30.300 -0.642 0.000 1.249 91 R HN 0.767 nan 8.270 nan 0.000 0.497 92 Q N 0.058 119.785 119.800 -0.121 0.000 2.348 92 Q HA 0.221 4.557 4.340 -0.006 0.000 0.271 92 Q C -0.641 175.327 176.000 -0.053 0.000 1.067 92 Q CA -1.059 54.705 55.803 -0.065 0.000 0.839 92 Q CB 1.576 30.291 28.738 -0.038 0.000 1.354 92 Q HN 0.026 nan 8.270 nan 0.000 0.447 93 D N 0.422 120.800 120.400 -0.038 0.000 2.662 93 D HA 0.019 4.655 4.640 -0.006 0.000 0.233 93 D C 0.882 177.165 176.300 -0.027 0.000 1.129 93 D CA 2.182 56.165 54.000 -0.028 0.000 0.851 93 D CB 0.120 40.907 40.800 -0.021 0.000 1.152 93 D HN 0.718 nan 8.370 nan 0.000 0.507 94 G N 2.816 111.602 108.800 -0.023 0.000 2.166 94 G HA2 -0.283 3.674 3.960 -0.006 0.000 0.260 94 G HA3 -0.283 3.674 3.960 -0.006 0.000 0.260 94 G C 0.445 175.329 174.900 -0.027 0.000 0.986 94 G CA 0.795 45.883 45.100 -0.020 0.000 0.683 94 G HN 1.078 nan 8.290 nan 0.000 0.527 95 S N -1.105 114.571 115.700 -0.039 0.000 2.645 95 S HA 0.592 5.059 4.470 -0.006 0.000 0.266 95 S C 1.112 175.677 174.600 -0.059 0.000 1.258 95 S CA -0.157 58.010 58.200 -0.055 0.000 0.990 95 S CB 1.225 64.383 63.200 -0.070 0.000 0.967 95 S HN 0.360 nan 8.310 nan 0.000 0.556 96 R N 0.269 120.719 120.500 -0.082 0.000 2.335 96 R HA 0.115 4.452 4.340 -0.006 0.000 0.223 96 R C 0.099 176.276 176.300 -0.205 0.000 0.940 96 R CA 0.529 56.578 56.100 -0.085 0.000 1.086 96 R CB -0.241 30.022 30.300 -0.061 0.000 1.073 96 R HN 0.853 nan 8.270 nan 0.000 0.504 97 T N -0.929 113.468 114.554 -0.261 0.000 3.410 97 T HA 0.286 4.633 4.350 -0.006 0.000 0.328 97 T C -2.499 172.114 174.700 -0.145 0.000 1.567 97 T CA -1.968 59.810 62.100 -0.537 0.000 1.626 97 T CB 1.438 69.934 68.868 -0.620 0.000 0.939 97 T HN -0.110 nan 8.240 nan 0.000 0.656 98 P HA 0.212 nan 4.420 nan 0.000 0.274 98 P C 1.401 178.740 177.300 0.065 0.000 1.256 98 P CA -0.137 62.980 63.100 0.028 0.000 0.795 98 P CB 0.599 32.350 31.700 0.086 0.000 1.038 99 G N 0.008 108.759 108.800 -0.083 0.000 2.485 99 G HA2 -0.171 3.786 3.960 -0.006 0.000 0.221 99 G HA3 -0.171 3.786 3.960 -0.006 0.000 0.221 99 G C 0.055 174.800 174.900 -0.257 0.000 1.115 99 G CA 1.120 46.121 45.100 -0.165 0.000 0.751 99 G HN 0.645 nan 8.290 nan 0.000 0.567 100 H N -1.377 117.770 119.070 0.129 0.000 2.930 100 H HA 0.424 4.977 4.556 -0.006 0.000 0.371 100 H C -2.629 172.771 175.328 0.121 0.000 1.169 100 H CA -1.875 54.234 56.048 0.102 0.000 1.157 100 H CB 1.743 31.542 29.762 0.062 0.000 1.789 100 H HN -0.164 nan 8.280 nan 0.000 0.547 101 P HA -0.044 nan 4.420 nan 0.000 0.258 101 P C -0.792 176.586 177.300 0.131 0.000 1.172 101 P CA 0.622 63.797 63.100 0.126 0.000 0.762 101 P CB 0.439 32.157 31.700 0.030 0.000 0.764 102 E N 2.759 123.046 120.200 0.144 0.000 2.185 102 E HA 0.225 4.572 4.350 -0.006 0.000 0.261 102 E C -0.097 176.537 176.600 0.056 0.000 0.879 102 E CA -1.013 55.445 56.400 0.097 0.000 0.756 102 E CB 1.658 31.427 29.700 0.116 0.000 1.152 102 E HN 0.322 nan 8.360 nan 0.000 0.416 103 R N 2.707 123.182 120.500 -0.041 0.000 2.583 103 R HA -0.065 4.271 4.340 -0.006 0.000 0.274 103 R C -0.128 176.104 176.300 -0.113 0.000 0.998 103 R CA 1.057 57.023 56.100 -0.224 0.000 1.081 103 R CB 0.041 30.056 30.300 -0.475 0.000 0.940 103 R HN 0.851 nan 8.270 nan 0.000 0.413 104 F N 0.357 120.339 119.950 0.053 0.000 2.549 104 F HA -0.418 4.106 4.527 -0.006 0.000 0.616 104 F C 1.579 177.403 175.800 0.040 0.000 0.500 104 F CA 0.781 58.804 58.000 0.039 0.000 0.948 104 F CB -1.257 37.755 39.000 0.020 0.000 1.754 104 F HN 0.379 nan 8.300 nan 0.000 0.260 105 V N -0.621 119.426 119.914 0.222 0.000 2.548 105 V HA -0.100 4.016 4.120 -0.006 0.000 0.249 105 V C 0.880 177.043 176.094 0.115 0.000 1.055 105 V CA 2.405 64.790 62.300 0.142 0.000 1.065 105 V CB -0.121 31.773 31.823 0.118 0.000 0.681 105 V HN 0.355 nan 8.190 nan 0.000 0.462 106 T N 0.730 115.364 114.554 0.132 0.000 2.848 106 T HA 0.449 4.795 4.350 -0.006 0.000 0.285 106 T C -2.730 172.044 174.700 0.124 0.000 0.995 106 T CA -1.147 61.028 62.100 0.124 0.000 0.970 106 T CB 2.023 71.003 68.868 0.188 0.000 0.976 106 T HN -0.004 nan 8.240 nan 0.000 0.441 107 P HA 0.333 nan 4.420 nan 0.000 0.268 107 P C 1.050 178.380 177.300 0.049 0.000 1.204 107 P CA 0.714 63.908 63.100 0.157 0.000 0.768 107 P CB 0.422 32.262 31.700 0.234 0.000 0.842 108 G N 1.253 110.087 108.800 0.058 0.000 2.176 108 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.253 108 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.253 108 G C 0.004 174.883 174.900 -0.034 0.000 0.979 108 G CA -0.220 44.816 45.100 -0.107 0.000 0.641 108 G HN 0.528 nan 8.290 nan 0.000 0.530 109 V N 1.769 121.694 119.914 0.019 0.000 2.364 109 V HA 0.366 4.482 4.120 -0.006 0.000 0.272 109 V C 1.286 177.374 176.094 -0.010 0.000 1.036 109 V CA -0.330 61.989 62.300 0.030 0.000 0.880 109 V CB 1.555 33.413 31.823 0.057 0.000 0.991 109 V HN 0.287 nan 8.190 nan 0.000 0.460 110 E N 3.447 123.641 120.200 -0.009 0.000 2.112 110 E HA -0.003 4.344 4.350 -0.006 0.000 0.190 110 E C 0.497 177.064 176.600 -0.054 0.000 0.979 110 E CA 0.988 57.366 56.400 -0.036 0.000 0.814 110 E CB 0.354 30.041 29.700 -0.021 0.000 0.762 110 E HN 0.670 nan 8.360 nan 0.000 0.460 111 V N -2.608 117.286 119.914 -0.033 0.000 3.181 111 V HA 0.530 4.647 4.120 -0.006 0.000 0.308 111 V C -0.315 175.774 176.094 -0.007 0.000 1.214 111 V CA -1.092 61.207 62.300 -0.001 0.000 1.053 111 V CB 1.834 33.681 31.823 0.040 0.000 1.069 111 V HN -0.172 nan 8.190 nan 0.000 0.441 112 T N 2.560 117.123 114.554 0.014 0.000 2.767 112 T HA 0.680 5.027 4.350 -0.006 0.000 0.288 112 T C 0.223 174.942 174.700 0.033 0.000 0.963 112 T CA 0.225 62.339 62.100 0.024 0.000 1.019 112 T CB 0.897 69.775 68.868 0.018 0.000 0.923 112 T HN 1.230 nan 8.240 nan 0.000 0.468 113 T N -0.181 114.398 114.554 0.042 0.000 2.807 113 T HA 0.887 5.233 4.350 -0.006 0.000 0.277 113 T C 0.917 175.650 174.700 0.056 0.000 1.006 113 T CA -0.050 62.072 62.100 0.036 0.000 1.006 113 T CB 1.917 70.801 68.868 0.025 0.000 1.274 113 T HN 0.733 nan 8.240 nan 0.000 0.569 114 G N 0.145 108.965 108.800 0.032 0.000 4.025 114 G HA2 0.042 3.998 3.960 -0.006 0.000 0.195 114 G HA3 0.042 3.998 3.960 -0.006 0.000 0.195 114 G C -2.638 172.190 174.900 -0.121 0.000 1.546 114 G CA -0.598 44.438 45.100 -0.106 0.000 1.007 114 G HN 0.819 nan 8.290 nan 0.000 0.388 115 P HA 0.518 nan 4.420 nan 0.000 0.276 115 P C 0.407 177.681 177.300 -0.042 0.000 1.264 115 P CA -0.218 62.842 63.100 -0.067 0.000 0.769 115 P CB 0.644 32.320 31.700 -0.040 0.000 0.840 116 L N 2.462 123.658 121.223 -0.045 0.000 2.514 116 L HA 0.105 4.441 4.340 -0.006 0.000 0.280 116 L C 1.827 178.654 176.870 -0.070 0.000 1.223 116 L CA 1.093 55.908 54.840 -0.043 0.000 0.864 116 L CB -0.518 41.508 42.059 -0.056 0.000 1.118 116 L HN 0.788 nan 8.230 nan 0.000 0.494 117 G N 0.607 109.361 108.800 -0.075 0.000 2.268 117 G HA2 -0.273 3.684 3.960 -0.006 0.000 0.240 117 G HA3 -0.273 3.684 3.960 -0.006 0.000 0.240 117 G C 0.986 175.818 174.900 -0.113 0.000 1.010 117 G CA 0.208 45.242 45.100 -0.110 0.000 0.618 117 G HN 0.587 nan 8.290 nan 0.000 0.516 118 Q N 0.582 120.327 119.800 -0.092 0.000 2.079 118 Q HA -0.021 4.316 4.340 -0.006 0.000 0.200 118 Q C 2.768 178.734 176.000 -0.057 0.000 0.974 118 Q CA 2.032 57.790 55.803 -0.076 0.000 0.840 118 Q CB -0.848 27.869 28.738 -0.036 0.000 0.898 118 Q HN 0.699 nan 8.270 nan 0.000 0.430 119 G N 1.764 110.535 108.800 -0.048 0.000 2.446 119 G HA2 -0.224 3.733 3.960 -0.006 0.000 0.217 119 G HA3 -0.224 3.733 3.960 -0.006 0.000 0.217 119 G C 1.519 176.384 174.900 -0.058 0.000 1.168 119 G CA 0.628 45.697 45.100 -0.053 0.000 0.771 119 G HN 0.211 nan 8.290 nan 0.000 0.551 120 I N 1.845 122.380 120.570 -0.058 0.000 2.163 120 I HA -0.185 3.981 4.170 -0.006 0.000 0.243 120 I C 3.277 179.374 176.117 -0.033 0.000 1.085 120 I CA 1.417 62.688 61.300 -0.048 0.000 1.347 120 I CB -1.289 36.673 38.000 -0.064 0.000 1.044 120 I HN 0.279 nan 8.210 nan 0.000 0.408 121 A N 0.970 123.762 122.820 -0.047 0.000 1.902 121 A HA -0.229 4.088 4.320 -0.006 0.000 0.217 121 A C 2.128 179.695 177.584 -0.030 0.000 1.181 121 A CA 2.029 54.045 52.037 -0.035 0.000 0.623 121 A CB -1.092 17.869 19.000 -0.065 0.000 0.818 121 A HN 0.535 nan 8.150 nan 0.000 0.443 122 N N 0.192 118.866 118.700 -0.042 0.000 2.069 122 N HA -0.112 4.625 4.740 -0.006 0.000 0.191 122 N C 1.964 177.453 175.510 -0.035 0.000 1.031 122 N CA 1.084 54.106 53.050 -0.047 0.000 0.852 122 N CB -0.280 38.180 38.487 -0.045 0.000 1.018 122 N HN 0.496 nan 8.380 nan 0.000 0.423 123 A N 0.863 123.663 122.820 -0.032 0.000 1.940 123 A HA -0.103 4.214 4.320 -0.006 0.000 0.219 123 A C 2.376 179.954 177.584 -0.011 0.000 1.176 123 A CA 1.147 53.171 52.037 -0.023 0.000 0.631 123 A CB -0.691 18.291 19.000 -0.029 0.000 0.814 123 A HN 0.116 nan 8.150 nan 0.000 0.446 124 V N -0.249 119.663 119.914 -0.004 0.000 2.427 124 V HA -0.163 3.954 4.120 -0.006 0.000 0.248 124 V C 2.767 178.844 176.094 -0.028 0.000 1.051 124 V CA 1.877 64.178 62.300 0.002 0.000 1.048 124 V CB -1.312 30.529 31.823 0.031 0.000 0.666 124 V HN 0.613 nan 8.190 nan 0.000 0.456 125 G N -0.358 108.422 108.800 -0.033 0.000 2.408 125 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.217 125 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.217 125 G C 1.582 176.440 174.900 -0.070 0.000 1.150 125 G CA 0.680 45.742 45.100 -0.063 0.000 0.776 125 G HN 0.459 nan 8.290 nan 0.000 0.542 126 L N 0.589 121.802 121.223 -0.016 0.000 2.093 126 L HA -0.029 4.307 4.340 -0.006 0.000 0.208 126 L C 3.362 180.236 176.870 0.007 0.000 1.085 126 L CA 0.996 55.873 54.840 0.062 0.000 0.755 126 L CB -0.327 41.792 42.059 0.100 0.000 0.904 126 L HN 0.306 nan 8.230 nan 0.000 0.435 127 A N 0.047 122.845 122.820 -0.036 0.000 1.930 127 A HA -0.121 4.195 4.320 -0.006 0.000 0.217 127 A C 2.206 179.720 177.584 -0.116 0.000 1.175 127 A CA 1.193 53.183 52.037 -0.078 0.000 0.627 127 A CB -0.514 18.449 19.000 -0.062 0.000 0.815 127 A HN 0.330 nan 8.150 nan 0.000 0.443 128 I N -0.295 120.186 120.570 -0.148 0.000 2.202 128 I HA -0.259 3.907 4.170 -0.006 0.000 0.242 128 I C 2.990 178.910 176.117 -0.328 0.000 1.091 128 I CA 0.998 62.132 61.300 -0.276 0.000 1.368 128 I CB -0.321 37.411 38.000 -0.447 0.000 1.058 128 I HN 0.352 nan 8.210 nan 0.000 0.410 129 A N 0.231 122.859 122.820 -0.319 0.000 1.908 129 A HA -0.270 4.047 4.320 -0.006 0.000 0.218 129 A C 2.351 179.691 177.584 -0.406 0.000 1.181 129 A CA 1.902 53.715 52.037 -0.372 0.000 0.627 129 A CB -0.597 18.107 19.000 -0.494 0.000 0.818 129 A HN 0.435 nan 8.150 nan 0.000 0.445 130 E N 0.382 120.311 120.200 -0.451 0.000 2.051 130 E HA -0.157 4.190 4.350 -0.006 0.000 0.192 130 E C 2.220 178.706 176.600 -0.190 0.000 0.991 130 E CA 1.415 57.606 56.400 -0.350 0.000 0.799 130 E CB -0.392 29.047 29.700 -0.436 0.000 0.748 130 E HN 0.459 nan 8.360 nan 0.000 0.449 131 A N 0.856 123.609 122.820 -0.112 0.000 1.933 131 A HA -0.203 4.113 4.320 -0.006 0.000 0.218 131 A C 2.257 179.927 177.584 0.142 0.000 1.175 131 A CA 1.719 53.767 52.037 0.017 0.000 0.628 131 A CB -0.905 18.176 19.000 0.136 0.000 0.814 131 A HN 0.509 nan 8.150 nan 0.000 0.444 132 H N -0.360 118.737 119.070 0.046 0.000 2.363 132 H HA 0.033 4.585 4.556 -0.006 0.000 0.301 132 H C 1.915 177.287 175.328 0.074 0.000 1.074 132 H CA 1.483 57.581 56.048 0.084 0.000 1.354 132 H CB -0.045 29.669 29.762 -0.080 0.000 1.397 132 H HN 0.414 nan 8.280 nan 0.000 0.516 133 L N 0.392 121.622 121.223 0.011 0.000 2.093 133 L HA -0.123 4.213 4.340 -0.006 0.000 0.208 133 L C 3.056 180.038 176.870 0.187 0.000 1.085 133 L CA 0.875 55.800 54.840 0.141 0.000 0.755 133 L CB -0.440 41.743 42.059 0.207 0.000 0.904 133 L HN 0.301 nan 8.230 nan 0.000 0.435 134 A N 0.084 122.947 122.820 0.072 0.000 1.873 134 A HA -0.130 4.186 4.320 -0.006 0.000 0.215 134 A C 2.517 180.109 177.584 0.014 0.000 1.186 134 A CA 1.608 53.673 52.037 0.045 0.000 0.616 134 A CB -0.670 18.315 19.000 -0.025 0.000 0.823 134 A HN 0.375 nan 8.150 nan 0.000 0.442 135 A N -1.212 121.597 122.820 -0.019 0.000 2.015 135 A HA -0.028 4.289 4.320 -0.006 0.000 0.219 135 A C 2.239 179.755 177.584 -0.112 0.000 1.163 135 A CA 2.176 54.183 52.037 -0.049 0.000 0.646 135 A CB -0.914 18.074 19.000 -0.020 0.000 0.806 135 A HN 0.432 nan 8.150 nan 0.000 0.448 136 T N -1.378 113.063 114.554 -0.187 0.000 2.894 136 T HA 0.068 4.414 4.350 -0.006 0.000 0.258 136 T C 1.301 175.740 174.700 -0.436 0.000 1.043 136 T CA 1.311 63.191 62.100 -0.367 0.000 1.141 136 T CB -0.278 68.244 68.868 -0.576 0.000 0.873 136 T HN 0.457 nan 8.240 nan 0.000 0.449 137 F N 0.700 120.623 119.950 -0.045 0.000 2.582 137 F HA 0.334 4.857 4.527 -0.006 0.000 0.290 137 F C 0.980 176.719 175.800 -0.101 0.000 1.115 137 F CA -0.563 57.413 58.000 -0.041 0.000 1.445 137 F CB -0.101 38.878 39.000 -0.035 0.000 1.126 137 F HN -0.087 nan 8.300 nan 0.000 0.574 138 N N 1.933 120.669 118.700 0.059 0.000 2.454 138 N HA 0.129 4.866 4.740 -0.006 0.000 0.254 138 N C -0.034 175.495 175.510 0.032 0.000 1.228 138 N CA 0.344 53.410 53.050 0.027 0.000 0.900 138 N CB 0.456 38.957 38.487 0.023 0.000 1.089 138 N HN -0.024 nan 8.380 nan 0.000 0.449 139 R N 1.303 121.868 120.500 0.109 0.000 2.867 139 R HA 0.492 4.828 4.340 -0.006 0.000 0.268 139 R C -2.575 173.860 176.300 0.224 0.000 1.014 139 R CA -1.964 54.191 56.100 0.091 0.000 0.946 139 R CB 0.552 30.796 30.300 -0.093 0.000 1.208 139 R HN 0.311 nan 8.270 nan 0.000 0.477 140 P HA 0.027 nan 4.420 nan 0.000 0.260 140 P C 0.646 178.084 177.300 0.229 0.000 1.185 140 P CA 1.285 64.491 63.100 0.176 0.000 0.763 140 P CB 0.273 32.060 31.700 0.146 0.000 0.776 141 G N 2.400 111.250 108.800 0.084 0.000 2.205 141 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.261 141 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.261 141 G C -0.215 174.512 174.900 -0.289 0.000 0.980 141 G CA -0.292 44.747 45.100 -0.102 0.000 0.632 141 G HN 0.500 nan 8.290 nan 0.000 0.533 142 Y N 0.553 120.927 120.300 0.123 0.000 2.863 142 Y HA 0.531 5.078 4.550 -0.006 0.000 0.348 142 Y C 0.384 176.300 175.900 0.026 0.000 1.028 142 Y CA -1.170 57.006 58.100 0.126 0.000 1.213 142 Y CB 0.908 39.576 38.460 0.346 0.000 1.120 142 Y HN 0.117 nan 8.280 nan 0.000 0.598 143 N N 3.414 122.171 118.700 0.095 0.000 3.188 143 N HA 0.108 4.845 4.740 -0.006 0.000 0.279 143 N C 1.008 176.569 175.510 0.085 0.000 1.213 143 N CA -0.078 53.015 53.050 0.073 0.000 1.138 143 N CB -0.065 38.465 38.487 0.072 0.000 1.417 143 N HN 0.726 nan 8.380 nan 0.000 0.526 144 I N -1.843 118.712 120.570 -0.025 0.000 3.111 144 I HA 0.131 4.298 4.170 -0.006 0.000 0.272 144 I C -0.393 175.871 176.117 0.246 0.000 1.268 144 I CA 0.348 61.634 61.300 -0.023 0.000 1.467 144 I CB 0.186 37.822 38.000 -0.607 0.000 1.087 144 I HN -0.083 nan 8.210 nan 0.000 0.467 145 V N 2.700 122.695 119.914 0.134 0.000 2.409 145 V HA 0.475 4.592 4.120 -0.006 0.000 0.290 145 V C -1.348 174.788 176.094 0.071 0.000 1.017 145 V CA -0.302 62.104 62.300 0.177 0.000 0.841 145 V CB 1.218 33.141 31.823 0.167 0.000 1.003 145 V HN 0.279 nan 8.190 nan 0.000 0.426 146 D N 4.229 124.674 120.400 0.075 0.000 2.312 146 D HA 0.306 4.943 4.640 -0.006 0.000 0.229 146 D C -0.964 175.336 176.300 0.001 0.000 1.337 146 D CA -0.202 53.778 54.000 -0.034 0.000 0.964 146 D CB 0.684 41.511 40.800 0.046 0.000 1.456 146 D HN 0.795 nan 8.370 nan 0.000 0.547 147 H N 0.689 119.679 119.070 -0.135 0.000 3.037 147 H HA 0.380 4.932 4.556 -0.006 0.000 0.355 147 H C -1.296 173.910 175.328 -0.204 0.000 1.263 147 H CA -0.699 55.294 56.048 -0.092 0.000 1.129 147 H CB 0.464 30.140 29.762 -0.143 0.000 1.861 147 H HN 0.118 nan 8.280 nan 0.000 0.546 148 Y N 0.160 120.476 120.300 0.027 0.000 2.432 148 Y HA 0.397 4.943 4.550 -0.006 0.000 0.322 148 Y C 0.569 176.381 175.900 -0.146 0.000 1.246 148 Y CA -0.479 57.525 58.100 -0.160 0.000 1.268 148 Y CB 2.002 40.253 38.460 -0.350 0.000 1.276 148 Y HN 0.543 nan 8.280 nan 0.000 0.499 149 T N 2.093 116.571 114.554 -0.127 0.000 2.842 149 T HA 0.347 4.693 4.350 -0.006 0.000 0.308 149 T C -1.372 173.224 174.700 -0.174 0.000 1.041 149 T CA -0.639 61.420 62.100 -0.069 0.000 0.964 149 T CB -0.348 68.505 68.868 -0.025 0.000 0.972 149 T HN 0.257 nan 8.240 nan 0.000 0.460 150 Y N 1.789 122.147 120.300 0.097 0.000 2.342 150 Y HA 0.624 5.170 4.550 -0.006 0.000 0.334 150 Y C 0.181 176.031 175.900 -0.083 0.000 1.067 150 Y CA -0.884 57.272 58.100 0.093 0.000 1.128 150 Y CB 1.528 40.110 38.460 0.202 0.000 1.200 150 Y HN 0.367 nan 8.280 nan 0.000 0.464 151 V N 5.182 125.163 119.914 0.112 0.000 2.612 151 V HA 0.446 4.563 4.120 -0.006 0.000 0.301 151 V C -1.708 174.478 176.094 0.153 0.000 1.059 151 V CA -0.789 61.479 62.300 -0.054 0.000 0.886 151 V CB 0.912 32.705 31.823 -0.051 0.000 1.007 151 V HN 0.554 nan 8.190 nan 0.000 0.426 152 Y N 5.358 125.563 120.300 -0.158 0.000 2.299 152 Y HA 0.742 5.288 4.550 -0.006 0.000 0.326 152 Y C 0.653 176.526 175.900 -0.045 0.000 1.164 152 Y CA -0.954 57.120 58.100 -0.043 0.000 1.234 152 Y CB 1.364 39.815 38.460 -0.016 0.000 1.219 152 Y HN 1.012 nan 8.280 nan 0.000 0.497 153 C N 0.296 119.683 119.300 0.144 0.000 3.239 153 C HA 1.007 5.463 4.460 -0.006 0.000 0.317 153 C C 0.071 175.153 174.990 0.154 0.000 1.310 153 C CA -0.585 58.484 59.018 0.087 0.000 1.371 153 C CB 1.480 29.215 27.740 -0.008 0.000 1.714 153 C HN 1.017 nan 8.230 nan 0.000 0.473 154 G N 0.144 109.031 108.800 0.145 0.000 3.108 154 G HA2 0.518 4.475 3.960 -0.006 0.000 0.268 154 G HA3 0.518 4.475 3.960 -0.006 0.000 0.268 154 G C 0.022 175.038 174.900 0.192 0.000 1.361 154 G CA -0.205 45.036 45.100 0.235 0.000 1.047 154 G HN 0.783 nan 8.290 nan 0.000 0.540 155 D N -0.104 120.449 120.400 0.255 0.000 2.123 155 D HA -0.130 4.507 4.640 -0.006 0.000 0.196 155 D C 2.457 178.654 176.300 -0.171 0.000 0.992 155 D CA 1.727 55.807 54.000 0.133 0.000 0.833 155 D CB -0.339 40.586 40.800 0.208 0.000 0.954 155 D HN 0.427 nan 8.370 nan 0.000 0.455 156 G N 0.583 109.327 108.800 -0.093 0.000 2.418 156 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.217 156 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.217 156 G C 1.994 176.792 174.900 -0.171 0.000 1.158 156 G CA 0.926 45.934 45.100 -0.154 0.000 0.771 156 G HN 0.305 nan 8.290 nan 0.000 0.545 157 C N 0.457 119.690 119.300 -0.112 0.000 2.413 157 C HA 0.000 4.457 4.460 -0.006 0.000 0.277 157 C C 2.859 177.736 174.990 -0.188 0.000 1.228 157 C CA 0.654 59.599 59.018 -0.123 0.000 1.731 157 C CB -1.120 26.570 27.740 -0.083 0.000 2.042 157 C HN 0.428 nan 8.230 nan 0.000 0.468 158 L N -0.149 120.923 121.223 -0.252 0.000 2.353 158 L HA -0.173 4.164 4.340 -0.006 0.000 0.220 158 L C 2.447 179.157 176.870 -0.267 0.000 1.133 158 L CA 1.214 55.909 54.840 -0.243 0.000 0.798 158 L CB -0.536 41.377 42.059 -0.244 0.000 0.922 158 L HN 0.477 nan 8.230 nan 0.000 0.445 159 M N -1.405 117.941 119.600 -0.423 0.000 2.447 159 M HA 0.010 4.487 4.480 -0.006 0.000 0.264 159 M C 0.449 176.624 176.300 -0.207 0.000 1.095 159 M CA 0.569 55.623 55.300 -0.409 0.000 1.125 159 M CB 0.251 32.543 32.600 -0.513 0.000 1.389 159 M HN 0.050 nan 8.290 nan 0.000 0.459 160 E N 0.420 120.516 120.200 -0.173 0.000 2.338 160 E HA 0.082 4.428 4.350 -0.006 0.000 0.272 160 E C 0.970 177.511 176.600 -0.098 0.000 1.029 160 E CA 0.078 56.404 56.400 -0.124 0.000 0.872 160 E CB 1.197 30.822 29.700 -0.124 0.000 1.015 160 E HN 0.278 nan 8.360 nan 0.000 0.417 161 G N 2.495 111.253 108.800 -0.071 0.000 2.440 161 G HA2 -0.246 3.711 3.960 -0.006 0.000 0.218 161 G HA3 -0.246 3.711 3.960 -0.006 0.000 0.218 161 G C 1.425 176.286 174.900 -0.066 0.000 1.154 161 G CA 0.638 45.712 45.100 -0.044 0.000 0.767 161 G HN 0.436 nan 8.290 nan 0.000 0.552 162 V N 0.291 120.114 119.914 -0.152 0.000 2.469 162 V HA -0.222 3.895 4.120 -0.006 0.000 0.251 162 V C 2.758 178.753 176.094 -0.164 0.000 1.064 162 V CA 2.383 64.514 62.300 -0.281 0.000 1.066 162 V CB -0.607 30.762 31.823 -0.757 0.000 0.667 162 V HN 0.536 nan 8.190 nan 0.000 0.461 163 C N -0.136 119.084 119.300 -0.134 0.000 2.489 163 C HA -0.104 4.352 4.460 -0.006 0.000 0.279 163 C C 2.773 177.738 174.990 -0.041 0.000 1.266 163 C CA 1.332 60.293 59.018 -0.094 0.000 1.707 163 C CB -0.969 26.704 27.740 -0.113 0.000 2.059 163 C HN 0.650 nan 8.230 nan 0.000 0.481 164 Q N 0.853 120.638 119.800 -0.025 0.000 2.096 164 Q HA -0.180 4.157 4.340 -0.006 0.000 0.204 164 Q C 1.985 178.011 176.000 0.043 0.000 0.982 164 Q CA 1.903 57.720 55.803 0.024 0.000 0.850 164 Q CB -0.607 28.140 28.738 0.015 0.000 0.901 164 Q HN 0.756 nan 8.270 nan 0.000 0.422 165 E N 0.435 120.649 120.200 0.024 0.000 2.058 165 E HA -0.161 4.185 4.350 -0.006 0.000 0.194 165 E C 1.930 178.572 176.600 0.071 0.000 0.997 165 E CA 1.111 57.538 56.400 0.046 0.000 0.801 165 E CB -0.127 29.596 29.700 0.038 0.000 0.746 165 E HN 0.351 nan 8.360 nan 0.000 0.450 166 A N 1.060 123.911 122.820 0.051 0.000 1.898 166 A HA -0.139 4.178 4.320 -0.006 0.000 0.216 166 A C 2.188 179.852 177.584 0.133 0.000 1.181 166 A CA 1.011 53.093 52.037 0.075 0.000 0.620 166 A CB -0.572 18.446 19.000 0.030 0.000 0.819 166 A HN 0.125 nan 8.150 nan 0.000 0.442 167 L N -0.748 120.563 121.223 0.147 0.000 2.141 167 L HA -0.129 4.208 4.340 -0.006 0.000 0.209 167 L C 2.889 179.994 176.870 0.391 0.000 1.094 167 L CA 1.338 56.353 54.840 0.292 0.000 0.763 167 L CB -0.419 41.700 42.059 0.100 0.000 0.908 167 L HN 0.507 nan 8.230 nan 0.000 0.437 168 S N 0.309 116.150 115.700 0.236 0.000 2.356 168 S HA -0.187 4.280 4.470 -0.006 0.000 0.223 168 S C 1.935 176.646 174.600 0.186 0.000 1.032 168 S CA 1.226 59.547 58.200 0.202 0.000 1.005 168 S CB -0.171 63.098 63.200 0.115 0.000 0.867 168 S HN 0.269 nan 8.310 nan 0.000 0.449 169 L N 1.768 123.085 121.223 0.156 0.000 2.093 169 L HA 0.213 4.550 4.340 -0.006 0.000 0.208 169 L C 2.512 179.463 176.870 0.134 0.000 1.085 169 L CA 1.873 56.801 54.840 0.147 0.000 0.755 169 L CB -1.266 40.868 42.059 0.125 0.000 0.904 169 L HN 0.354 nan 8.230 nan 0.000 0.435 170 A N -0.760 122.135 122.820 0.125 0.000 1.933 170 A HA -0.066 4.251 4.320 -0.006 0.000 0.218 170 A C 2.320 179.831 177.584 -0.121 0.000 1.175 170 A CA 1.513 53.568 52.037 0.030 0.000 0.628 170 A CB -1.407 17.654 19.000 0.103 0.000 0.814 170 A HN 0.498 nan 8.150 nan 0.000 0.444 171 G N -1.450 107.313 108.800 -0.062 0.000 2.394 171 G HA2 -0.229 3.728 3.960 -0.006 0.000 0.215 171 G HA3 -0.229 3.728 3.960 -0.006 0.000 0.215 171 G C 1.493 176.361 174.900 -0.054 0.000 1.165 171 G CA 1.308 46.309 45.100 -0.165 0.000 0.784 171 G HN 0.734 nan 8.290 nan 0.000 0.535 172 H N 0.482 119.529 119.070 -0.037 0.000 2.353 172 H HA 0.123 4.675 4.556 -0.005 0.000 0.300 172 H C 2.259 177.542 175.328 -0.075 0.000 1.090 172 H CA 1.187 57.210 56.048 -0.040 0.000 1.327 172 H CB -0.236 29.517 29.762 -0.016 0.000 1.383 172 H HN 0.261 nan 8.280 nan 0.000 0.508 173 L N -0.110 121.013 121.223 -0.168 0.000 2.554 173 L HA 0.174 4.511 4.340 -0.006 0.000 0.226 173 L C 1.188 177.921 176.870 -0.228 0.000 1.137 173 L CA 0.383 55.090 54.840 -0.221 0.000 0.863 173 L CB -0.275 41.781 42.059 -0.005 0.000 0.985 173 L HN 0.488 nan 8.230 nan 0.000 0.451 174 A N 0.621 123.312 122.820 -0.216 0.000 2.687 174 A HA -0.210 4.107 4.320 -0.006 0.000 0.299 174 A C 0.379 177.852 177.584 -0.184 0.000 1.497 174 A CA 0.287 52.196 52.037 -0.213 0.000 0.751 174 A CB -2.351 16.525 19.000 -0.207 0.000 1.048 174 A HN 0.344 nan 8.150 nan 0.000 0.464 175 L N 0.490 121.613 121.223 -0.168 0.000 2.505 175 L HA 0.061 4.398 4.340 -0.006 0.000 0.279 175 L C 1.876 178.660 176.870 -0.143 0.000 1.211 175 L CA 0.501 55.267 54.840 -0.124 0.000 1.059 175 L CB -0.195 41.813 42.059 -0.084 0.000 1.340 175 L HN 0.792 nan 8.230 nan 0.000 0.447 176 E N 1.729 121.848 120.200 -0.135 0.000 2.265 176 E HA -0.211 4.136 4.350 -0.006 0.000 0.196 176 E C 1.028 177.579 176.600 -0.081 0.000 0.996 176 E CA 1.043 57.380 56.400 -0.104 0.000 0.832 176 E CB 0.052 29.696 29.700 -0.094 0.000 0.756 176 E HN 0.565 nan 8.360 nan 0.000 0.491 177 K N 0.501 120.799 120.400 -0.170 0.000 2.417 177 K HA 0.135 4.452 4.320 -0.006 0.000 0.196 177 K C -0.016 176.509 176.600 -0.126 0.000 1.023 177 K CA -0.330 55.798 56.287 -0.264 0.000 1.122 177 K CB 0.238 32.366 32.500 -0.620 0.000 0.850 177 K HN 0.085 nan 8.250 nan 0.000 0.521 178 L N 1.621 122.796 121.223 -0.080 0.000 2.265 178 L HA 0.335 4.671 4.340 -0.006 0.000 0.288 178 L C -0.789 176.089 176.870 0.012 0.000 1.058 178 L CA -0.067 54.747 54.840 -0.044 0.000 0.809 178 L CB 0.503 42.547 42.059 -0.026 0.000 1.179 178 L HN -0.006 nan 8.230 nan 0.000 0.429 179 I N 6.357 126.923 120.570 -0.005 0.000 2.420 179 I HA 0.289 4.456 4.170 -0.006 0.000 0.282 179 I C -0.753 175.454 176.117 0.149 0.000 1.019 179 I CA -0.766 60.583 61.300 0.081 0.000 1.130 179 I CB 1.694 39.724 38.000 0.050 0.000 1.262 179 I HN 0.242 nan 8.210 nan 0.000 0.454 180 V N 7.412 127.421 119.914 0.158 0.000 2.406 180 V HA 0.352 4.469 4.120 -0.006 0.000 0.272 180 V C 0.285 176.453 176.094 0.124 0.000 1.043 180 V CA -0.237 62.135 62.300 0.120 0.000 0.915 180 V CB 1.451 33.296 31.823 0.037 0.000 0.988 180 V HN 0.479 nan 8.190 nan 0.000 0.466 181 I N 6.035 126.702 120.570 0.162 0.000 2.330 181 I HA 0.271 4.437 4.170 -0.006 0.000 0.286 181 I C -0.855 175.301 176.117 0.065 0.000 1.025 181 I CA -0.634 60.728 61.300 0.103 0.000 1.197 181 I CB 0.811 38.877 38.000 0.110 0.000 1.358 181 I HN 0.580 nan 8.210 nan 0.000 0.467 182 Y N 6.388 126.619 120.300 -0.114 0.000 2.404 182 Y HA 0.293 4.839 4.550 -0.005 0.000 0.344 182 Y C -0.248 175.569 175.900 -0.138 0.000 0.970 182 Y CA -1.584 56.437 58.100 -0.133 0.000 1.180 182 Y CB 0.778 39.137 38.460 -0.168 0.000 1.138 182 Y HN 0.501 nan 8.280 nan 0.000 0.510 183 D N 4.173 124.500 120.400 -0.122 0.000 2.422 183 D HA 0.102 4.738 4.640 -0.006 0.000 0.227 183 D C -0.719 175.294 176.300 -0.479 0.000 1.190 183 D CA 0.250 54.071 54.000 -0.297 0.000 0.905 183 D CB 0.423 41.128 40.800 -0.158 0.000 1.034 183 D HN 0.406 nan 8.370 nan 0.000 0.507 184 S N 3.262 118.484 115.700 -0.796 0.000 2.404 184 S HA 0.221 4.688 4.470 -0.006 0.000 0.309 184 S C 0.345 174.659 174.600 -0.477 0.000 1.076 184 S CA -0.784 56.934 58.200 -0.803 0.000 1.095 184 S CB -0.187 62.401 63.200 -1.021 0.000 0.972 184 S HN 0.556 nan 8.310 nan 0.000 0.484 185 N N 3.265 121.795 118.700 -0.284 0.000 2.197 185 N HA 0.111 4.848 4.740 -0.006 0.000 0.228 185 N C -0.509 175.075 175.510 0.123 0.000 1.212 185 N CA -0.499 52.523 53.050 -0.046 0.000 0.883 185 N CB -0.773 37.732 38.487 0.030 0.000 1.107 185 N HN 0.587 nan 8.380 nan 0.000 0.519 186 Y N -0.038 120.298 120.300 0.061 0.000 3.491 186 Y HA -0.206 4.340 4.550 -0.006 0.000 0.215 186 Y C -0.535 175.418 175.900 0.089 0.000 1.219 186 Y CA 0.184 58.334 58.100 0.083 0.000 1.485 186 Y CB -1.669 36.819 38.460 0.048 0.000 1.450 186 Y HN 0.237 nan 8.280 nan 0.000 0.603 187 I N -0.296 120.381 120.570 0.179 0.000 2.656 187 I HA 0.474 4.641 4.170 -0.006 0.000 0.292 187 I C 0.206 176.388 176.117 0.107 0.000 1.144 187 I CA -0.672 60.715 61.300 0.145 0.000 1.038 187 I CB 2.122 40.212 38.000 0.151 0.000 1.244 187 I HN 0.094 nan 8.210 nan 0.000 0.420 188 S N 5.311 121.034 115.700 0.038 0.000 2.851 188 S HA 0.648 5.115 4.470 -0.006 0.000 0.317 188 S C 1.087 175.560 174.600 -0.212 0.000 1.144 188 S CA -0.776 57.381 58.200 -0.071 0.000 0.862 188 S CB 1.586 64.757 63.200 -0.049 0.000 1.259 188 S HN 0.442 nan 8.310 nan 0.000 0.564 189 I N 1.091 121.447 120.570 -0.356 0.000 2.179 189 I HA -0.150 4.016 4.170 -0.006 0.000 0.242 189 I C 1.607 177.641 176.117 -0.138 0.000 1.088 189 I CA 1.699 62.786 61.300 -0.355 0.000 1.357 189 I CB -0.593 37.230 38.000 -0.294 0.000 1.051 189 I HN 0.612 nan 8.210 nan 0.000 0.409 190 D N 0.437 120.784 120.400 -0.089 0.000 2.309 190 D HA 0.055 4.692 4.640 -0.006 0.000 0.212 190 D C 1.021 177.313 176.300 -0.014 0.000 0.968 190 D CA 1.265 55.242 54.000 -0.038 0.000 0.882 190 D CB 0.095 40.881 40.800 -0.024 0.000 0.918 190 D HN 0.567 nan 8.370 nan 0.000 0.503 191 G N -0.650 108.144 108.800 -0.010 0.000 2.217 191 G HA2 -0.118 3.838 3.960 -0.006 0.000 0.173 191 G HA3 -0.118 3.838 3.960 -0.006 0.000 0.173 191 G C -0.533 174.398 174.900 0.052 0.000 1.324 191 G CA -0.147 44.967 45.100 0.023 0.000 1.225 191 G HN 0.165 nan 8.290 nan 0.000 0.494 192 S N 0.580 116.319 115.700 0.065 0.000 2.560 192 S HA 0.381 4.848 4.470 -0.006 0.000 0.284 192 S C 2.102 176.775 174.600 0.122 0.000 1.327 192 S CA 1.292 59.551 58.200 0.100 0.000 1.055 192 S CB 0.706 63.952 63.200 0.076 0.000 0.868 192 S HN 1.820 nan 8.310 nan 0.000 0.506 193 T N 1.376 116.041 114.554 0.186 0.000 3.007 193 T HA -0.101 4.245 4.350 -0.006 0.000 0.270 193 T C 1.763 176.584 174.700 0.202 0.000 1.107 193 T CA 1.107 63.343 62.100 0.226 0.000 1.118 193 T CB -0.704 68.356 68.868 0.320 0.000 0.889 193 T HN 0.711 nan 8.240 nan 0.000 0.506 194 S N 1.181 116.973 115.700 0.153 0.000 2.595 194 S HA 0.140 4.607 4.470 -0.006 0.000 0.235 194 S C 1.749 176.398 174.600 0.081 0.000 0.974 194 S CA 0.178 58.439 58.200 0.102 0.000 0.942 194 S CB -0.854 62.384 63.200 0.063 0.000 0.766 194 S HN 0.548 nan 8.310 nan 0.000 0.536 195 L N 1.351 122.626 121.223 0.086 0.000 2.418 195 L HA 0.122 4.459 4.340 -0.006 0.000 0.218 195 L C 1.758 178.670 176.870 0.070 0.000 1.125 195 L CA 1.018 55.896 54.840 0.063 0.000 0.835 195 L CB -0.149 41.939 42.059 0.049 0.000 0.953 195 L HN 0.670 nan 8.230 nan 0.000 0.454 196 S N -3.059 112.707 115.700 0.109 0.000 2.551 196 S HA 0.104 4.570 4.470 -0.006 0.000 0.236 196 S C -0.350 174.388 174.600 0.231 0.000 0.915 196 S CA -0.550 57.721 58.200 0.120 0.000 1.525 196 S CB -0.075 63.168 63.200 0.073 0.000 1.256 196 S HN 0.056 nan 8.310 nan 0.000 0.641 197 F N 3.449 123.419 119.950 0.033 0.000 2.828 197 F HA 0.608 5.132 4.527 -0.006 0.000 0.355 197 F C -0.534 175.304 175.800 0.063 0.000 1.200 197 F CA -0.277 57.746 58.000 0.039 0.000 1.062 197 F CB 1.735 40.758 39.000 0.039 0.000 1.351 197 F HN 0.200 nan 8.300 nan 0.000 0.504 198 T N 1.485 115.953 114.554 -0.143 0.000 3.658 198 T HA 0.434 4.780 4.350 -0.006 0.000 0.245 198 T C -0.519 174.048 174.700 -0.222 0.000 1.292 198 T CA -0.562 61.424 62.100 -0.189 0.000 1.598 198 T CB -0.040 68.801 68.868 -0.045 0.000 0.861 198 T HN 0.522 nan 8.240 nan 0.000 0.663 199 E N 1.263 121.217 120.200 -0.409 0.000 2.250 199 E HA 0.312 4.659 4.350 -0.006 0.000 0.269 199 E C -0.293 176.200 176.600 -0.178 0.000 1.018 199 E CA -0.997 55.254 56.400 -0.248 0.000 0.873 199 E CB 1.291 30.845 29.700 -0.243 0.000 1.134 199 E HN 0.475 nan 8.360 nan 0.000 0.403 200 Q N 1.236 120.977 119.800 -0.099 0.000 2.681 200 Q HA 0.086 4.422 4.340 -0.006 0.000 0.222 200 Q C 0.908 176.898 176.000 -0.016 0.000 1.258 200 Q CA -0.396 55.386 55.803 -0.035 0.000 1.014 200 Q CB -0.136 28.592 28.738 -0.017 0.000 1.384 200 Q HN 0.730 nan 8.270 nan 0.000 0.570 201 C N -0.720 118.593 119.300 0.022 0.000 2.391 201 C HA -0.267 4.189 4.460 -0.006 0.000 0.276 201 C C 2.170 177.278 174.990 0.198 0.000 1.217 201 C CA 1.265 60.362 59.018 0.131 0.000 1.766 201 C CB -1.000 26.935 27.740 0.325 0.000 2.046 201 C HN 0.883 nan 8.230 nan 0.000 0.475 202 H N 1.371 120.505 119.070 0.107 0.000 2.267 202 H HA -0.163 4.390 4.556 -0.006 0.000 0.297 202 H C 2.417 177.782 175.328 0.061 0.000 1.080 202 H CA 2.595 58.701 56.048 0.097 0.000 1.278 202 H CB -0.194 29.601 29.762 0.055 0.000 1.365 202 H HN 0.475 nan 8.280 nan 0.000 0.489 203 Q N 0.488 120.428 119.800 0.232 0.000 2.124 203 Q HA -0.131 4.205 4.340 -0.006 0.000 0.202 203 Q C 2.314 178.321 176.000 0.011 0.000 0.977 203 Q CA 1.614 57.495 55.803 0.129 0.000 0.850 203 Q CB -0.135 28.643 28.738 0.067 0.000 0.901 203 Q HN 0.428 nan 8.270 nan 0.000 0.429 204 K N -0.291 120.051 120.400 -0.096 0.000 2.002 204 K HA -0.171 4.145 4.320 -0.006 0.000 0.209 204 K C 1.641 178.027 176.600 -0.357 0.000 1.048 204 K CA 1.409 57.526 56.287 -0.284 0.000 0.930 204 K CB -0.169 32.031 32.500 -0.499 0.000 0.714 204 K HN 0.276 nan 8.250 nan 0.000 0.438 205 Y N 0.071 120.341 120.300 -0.050 0.000 2.439 205 Y HA -0.114 4.433 4.550 -0.006 0.000 0.292 205 Y C 2.115 178.056 175.900 0.069 0.000 1.130 205 Y CA 0.306 58.359 58.100 -0.078 0.000 1.254 205 Y CB 0.180 38.482 38.460 -0.264 0.000 1.000 205 Y HN -0.120 nan 8.280 nan 0.000 0.554 206 V N -0.329 119.662 119.914 0.128 0.000 2.427 206 V HA -0.284 3.832 4.120 -0.006 0.000 0.248 206 V C 2.420 178.593 176.094 0.131 0.000 1.051 206 V CA 1.641 64.024 62.300 0.138 0.000 1.048 206 V CB -1.016 30.876 31.823 0.114 0.000 0.666 206 V HN 0.459 nan 8.190 nan 0.000 0.456 207 A N -0.837 122.031 122.820 0.079 0.000 2.067 207 A HA -0.118 4.198 4.320 -0.006 0.000 0.219 207 A C 2.085 179.722 177.584 0.089 0.000 1.158 207 A CA 1.532 53.604 52.037 0.059 0.000 0.661 207 A CB -0.443 18.562 19.000 0.010 0.000 0.801 207 A HN 0.522 nan 8.150 nan 0.000 0.452 208 M N -1.339 118.350 119.600 0.148 0.000 2.561 208 M HA 0.181 4.657 4.480 -0.006 0.000 0.238 208 M C 1.208 177.685 176.300 0.295 0.000 1.131 208 M CA 0.757 56.196 55.300 0.233 0.000 1.046 208 M CB 0.341 33.120 32.600 0.299 0.000 1.532 208 M HN 0.607 nan 8.290 nan 0.000 0.497 209 G N 0.601 109.538 108.800 0.229 0.000 2.144 209 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.218 209 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.218 209 G C -0.237 174.685 174.900 0.037 0.000 0.988 209 G CA -0.566 44.596 45.100 0.104 0.000 0.659 209 G HN 0.336 nan 8.290 nan 0.000 0.522 210 F N 0.114 120.114 119.950 0.084 0.000 2.399 210 F HA 0.666 5.190 4.527 -0.006 0.000 0.328 210 F C 0.712 176.567 175.800 0.092 0.000 1.084 210 F CA -1.034 57.015 58.000 0.082 0.000 1.053 210 F CB 1.241 40.287 39.000 0.078 0.000 1.209 210 F HN 0.154 nan 8.300 nan 0.000 0.502 211 H N 1.693 120.859 119.070 0.160 0.000 2.641 211 H HA 0.544 5.096 4.556 -0.006 0.000 0.295 211 H C -1.353 174.032 175.328 0.095 0.000 1.070 211 H CA -0.599 55.504 56.048 0.092 0.000 1.257 211 H CB 0.358 30.153 29.762 0.056 0.000 1.393 211 H HN 0.300 nan 8.280 nan 0.000 0.464 212 V N 7.773 127.510 119.914 -0.294 0.000 2.407 212 V HA 0.251 4.367 4.120 -0.006 0.000 0.278 212 V C 0.338 176.204 176.094 -0.380 0.000 1.037 212 V CA -0.506 61.588 62.300 -0.343 0.000 0.900 212 V CB 0.868 32.351 31.823 -0.566 0.000 0.983 212 V HN 0.712 nan 8.190 nan 0.000 0.459 213 I N 4.386 124.827 120.570 -0.215 0.000 2.436 213 I HA 0.466 4.633 4.170 -0.006 0.000 0.289 213 I C -0.005 176.101 176.117 -0.019 0.000 1.010 213 I CA -0.408 60.828 61.300 -0.106 0.000 1.098 213 I CB 1.881 39.840 38.000 -0.067 0.000 1.266 213 I HN 0.595 nan 8.210 nan 0.000 0.434 214 E N 5.124 125.342 120.200 0.030 0.000 2.191 214 E HA 0.558 4.905 4.350 -0.006 0.000 0.274 214 E C -1.216 175.382 176.600 -0.004 0.000 0.948 214 E CA -0.780 55.637 56.400 0.028 0.000 0.802 214 E CB 3.062 32.810 29.700 0.079 0.000 1.137 214 E HN 0.230 nan 8.360 nan 0.000 0.397 215 V N 4.580 124.473 119.914 -0.035 0.000 2.385 215 V HA 0.060 4.176 4.120 -0.006 0.000 0.277 215 V C 0.771 176.825 176.094 -0.067 0.000 1.012 215 V CA -0.646 61.621 62.300 -0.056 0.000 0.832 215 V CB 1.024 32.797 31.823 -0.083 0.000 1.028 215 V HN 0.589 nan 8.190 nan 0.000 0.436 216 K N 1.714 122.087 120.400 -0.045 0.000 2.152 216 K HA -0.082 4.234 4.320 -0.006 0.000 0.206 216 K C 0.955 177.522 176.600 -0.056 0.000 1.048 216 K CA 1.065 57.330 56.287 -0.036 0.000 0.933 216 K CB 0.019 32.506 32.500 -0.020 0.000 0.721 216 K HN 0.544 nan 8.250 nan 0.000 0.447 217 N N 0.282 118.931 118.700 -0.084 0.000 2.851 217 N HA 0.113 4.850 4.740 -0.006 0.000 0.248 217 N C 0.190 175.584 175.510 -0.193 0.000 1.221 217 N CA -0.006 52.973 53.050 -0.118 0.000 0.847 217 N CB 0.966 39.393 38.487 -0.100 0.000 1.150 217 N HN 0.082 nan 8.380 nan 0.000 0.507 218 G N 0.886 109.561 108.800 -0.208 0.000 3.026 218 G HA2 -0.081 3.876 3.960 -0.006 0.000 0.208 218 G HA3 -0.081 3.876 3.960 -0.006 0.000 0.208 218 G C 0.760 175.434 174.900 -0.376 0.000 1.169 218 G CA 0.066 45.003 45.100 -0.272 0.000 0.788 218 G HN 0.454 nan 8.290 nan 0.000 0.533 219 D N 0.026 120.173 120.400 -0.423 0.000 2.271 219 D HA -0.013 4.624 4.640 -0.006 0.000 0.206 219 D C 2.290 178.182 176.300 -0.680 0.000 0.967 219 D CA 1.668 55.257 54.000 -0.684 0.000 0.867 219 D CB 0.431 40.699 40.800 -0.887 0.000 0.960 219 D HN 0.486 nan 8.370 nan 0.000 0.509 220 T N -3.092 111.161 114.554 -0.502 0.000 3.252 220 T HA 0.017 4.364 4.350 -0.006 0.000 0.295 220 T C 0.054 174.523 174.700 -0.385 0.000 0.897 220 T CA -0.443 61.416 62.100 -0.402 0.000 0.905 220 T CB 0.191 68.983 68.868 -0.126 0.000 1.202 220 T HN -0.246 nan 8.240 nan 0.000 0.592 221 D N 1.205 121.375 120.400 -0.385 0.000 2.558 221 D HA 0.277 4.914 4.640 -0.006 0.000 0.221 221 D C 0.454 176.586 176.300 -0.280 0.000 1.143 221 D CA -0.759 53.103 54.000 -0.231 0.000 1.010 221 D CB -0.323 40.387 40.800 -0.150 0.000 1.068 221 D HN 0.347 nan 8.370 nan 0.000 0.511 222 Y N 0.934 121.196 120.300 -0.062 0.000 2.293 222 Y HA -0.103 4.444 4.550 -0.006 0.000 0.291 222 Y C 2.307 178.181 175.900 -0.043 0.000 1.137 222 Y CA 1.094 59.159 58.100 -0.059 0.000 1.202 222 Y CB -0.060 38.364 38.460 -0.060 0.000 0.990 222 Y HN 0.409 nan 8.280 nan 0.000 0.537 223 E N 0.114 120.369 120.200 0.091 0.000 2.077 223 E HA -0.154 4.193 4.350 -0.006 0.000 0.193 223 E C 2.515 179.125 176.600 0.017 0.000 0.989 223 E CA 1.144 57.574 56.400 0.049 0.000 0.800 223 E CB -0.480 29.243 29.700 0.037 0.000 0.746 223 E HN 0.467 nan 8.360 nan 0.000 0.452 224 G N 1.306 110.098 108.800 -0.013 0.000 2.418 224 G HA2 -0.226 3.731 3.960 -0.006 0.000 0.217 224 G HA3 -0.226 3.731 3.960 -0.006 0.000 0.217 224 G C 1.596 176.479 174.900 -0.028 0.000 1.158 224 G CA 0.783 45.868 45.100 -0.026 0.000 0.771 224 G HN 0.208 nan 8.290 nan 0.000 0.545 225 L N -0.276 120.916 121.223 -0.051 0.000 2.017 225 L HA -0.050 4.287 4.340 -0.006 0.000 0.208 225 L C 3.178 180.048 176.870 0.001 0.000 1.073 225 L CA 1.098 55.913 54.840 -0.042 0.000 0.745 225 L CB -0.394 41.619 42.059 -0.077 0.000 0.894 225 L HN 0.135 nan 8.230 nan 0.000 0.432 226 R N 0.209 120.720 120.500 0.019 0.000 2.081 226 R HA -0.206 4.131 4.340 -0.006 0.000 0.235 226 R C 2.345 178.658 176.300 0.022 0.000 1.131 226 R CA 1.529 57.642 56.100 0.022 0.000 0.960 226 R CB -0.295 30.020 30.300 0.026 0.000 0.856 226 R HN 0.283 nan 8.270 nan 0.000 0.436 227 K N 0.703 121.116 120.400 0.021 0.000 2.057 227 K HA -0.111 4.206 4.320 -0.006 0.000 0.207 227 K C 2.096 178.719 176.600 0.038 0.000 1.049 227 K CA 1.332 57.636 56.287 0.028 0.000 0.931 227 K CB -0.092 32.423 32.500 0.024 0.000 0.714 227 K HN 0.149 nan 8.250 nan 0.000 0.440 228 A N 1.391 124.231 122.820 0.033 0.000 1.865 228 A HA -0.156 4.161 4.320 -0.006 0.000 0.217 228 A C 2.134 179.759 177.584 0.069 0.000 1.191 228 A CA 1.548 53.613 52.037 0.046 0.000 0.623 228 A CB -0.765 18.250 19.000 0.025 0.000 0.826 228 A HN 0.331 nan 8.150 nan 0.000 0.444 229 L N -0.846 120.415 121.223 0.063 0.000 2.046 229 L HA -0.207 4.130 4.340 -0.006 0.000 0.208 229 L C 3.108 180.014 176.870 0.061 0.000 1.077 229 L CA 1.066 55.956 54.840 0.082 0.000 0.747 229 L CB -0.613 41.482 42.059 0.060 0.000 0.896 229 L HN 0.459 nan 8.230 nan 0.000 0.432 230 A N -0.195 122.650 122.820 0.042 0.000 1.877 230 A HA -0.265 4.051 4.320 -0.006 0.000 0.216 230 A C 2.288 179.899 177.584 0.045 0.000 1.186 230 A CA 1.895 53.950 52.037 0.030 0.000 0.620 230 A CB -0.545 18.471 19.000 0.027 0.000 0.822 230 A HN 0.468 nan 8.150 nan 0.000 0.443 231 E N -0.194 120.047 120.200 0.069 0.000 2.077 231 E HA -0.133 4.213 4.350 -0.006 0.000 0.193 231 E C 2.155 178.828 176.600 0.121 0.000 0.989 231 E CA 0.994 57.453 56.400 0.098 0.000 0.800 231 E CB -0.249 29.534 29.700 0.138 0.000 0.746 231 E HN 0.539 nan 8.360 nan 0.000 0.452 232 A N 1.618 124.518 122.820 0.134 0.000 1.883 232 A HA -0.204 4.112 4.320 -0.006 0.000 0.217 232 A C 2.057 179.705 177.584 0.106 0.000 1.186 232 A CA 1.611 53.742 52.037 0.156 0.000 0.624 232 A CB -0.362 18.731 19.000 0.156 0.000 0.822 232 A HN 0.115 nan 8.150 nan 0.000 0.444 233 K N -0.376 120.047 120.400 0.037 0.000 2.148 233 K HA -0.021 4.296 4.320 -0.006 0.000 0.204 233 K C 2.169 178.808 176.600 0.065 0.000 1.050 233 K CA 1.155 57.428 56.287 -0.023 0.000 0.942 233 K CB -0.343 32.055 32.500 -0.171 0.000 0.724 233 K HN 0.463 nan 8.250 nan 0.000 0.446 234 A N 1.221 124.068 122.820 0.045 0.000 1.970 234 A HA -0.013 4.304 4.320 -0.006 0.000 0.216 234 A C 1.040 178.629 177.584 0.010 0.000 1.170 234 A CA 0.697 52.755 52.037 0.034 0.000 0.645 234 A CB -0.249 18.766 19.000 0.025 0.000 0.816 234 A HN 0.159 nan 8.150 nan 0.000 0.447 235 T N 2.326 116.872 114.554 -0.013 0.000 2.779 235 T HA 0.340 4.687 4.350 -0.006 0.000 0.296 235 T C -0.018 174.643 174.700 -0.066 0.000 0.938 235 T CA 0.094 62.130 62.100 -0.108 0.000 1.119 235 T CB 0.558 69.245 68.868 -0.303 0.000 0.891 235 T HN 0.319 nan 8.240 nan 0.000 0.526 236 K N 1.233 121.588 120.400 -0.074 0.000 2.211 236 K HA 0.615 4.931 4.320 -0.006 0.000 0.237 236 K C 1.227 177.777 176.600 -0.084 0.000 1.002 236 K CA -0.765 55.486 56.287 -0.059 0.000 0.885 236 K CB 1.562 34.035 32.500 -0.044 0.000 1.136 236 K HN 0.700 nan 8.250 nan 0.000 0.448 237 G N 0.736 109.484 108.800 -0.086 0.000 2.225 237 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.254 237 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.254 237 G C -0.245 174.588 174.900 -0.113 0.000 0.988 237 G CA 0.255 45.296 45.100 -0.099 0.000 0.625 237 G HN 0.476 nan 8.290 nan 0.000 0.527 238 K N 0.129 120.463 120.400 -0.110 0.000 2.551 238 K HA 0.516 4.832 4.320 -0.006 0.000 0.269 238 K C -3.089 173.419 176.600 -0.153 0.000 0.949 238 K CA -2.043 54.160 56.287 -0.140 0.000 0.849 238 K CB 3.078 35.533 32.500 -0.075 0.000 1.411 238 K HN -0.025 nan 8.250 nan 0.000 0.432 239 P HA 0.229 nan 4.420 nan 0.000 0.274 239 P C -1.233 176.028 177.300 -0.064 0.000 1.246 239 P CA -0.561 62.366 63.100 -0.288 0.000 0.795 239 P CB 0.609 31.902 31.700 -0.678 0.000 1.006 240 K N 0.504 120.989 120.400 0.141 0.000 2.267 240 K HA 0.693 5.009 4.320 -0.006 0.000 0.246 240 K C -0.610 176.177 176.600 0.311 0.000 0.954 240 K CA -0.587 55.856 56.287 0.260 0.000 0.824 240 K CB 1.737 34.366 32.500 0.215 0.000 1.167 240 K HN 0.419 nan 8.250 nan 0.000 0.431 241 M N 4.260 123.986 119.600 0.210 0.000 2.106 241 M HA 0.432 4.909 4.480 -0.006 0.000 0.288 241 M C -1.646 174.662 176.300 0.012 0.000 0.941 241 M CA -0.484 54.848 55.300 0.053 0.000 0.934 241 M CB 0.756 33.255 32.600 -0.168 0.000 1.551 241 M HN 0.560 nan 8.290 nan 0.000 0.437 242 I N 5.435 126.029 120.570 0.040 0.000 2.312 242 I HA 0.260 4.427 4.170 -0.006 0.000 0.291 242 I C -0.547 175.568 176.117 -0.003 0.000 1.031 242 I CA -0.733 60.577 61.300 0.017 0.000 1.293 242 I CB 1.310 39.334 38.000 0.041 0.000 1.403 242 I HN 0.375 nan 8.210 nan 0.000 0.484 243 V N 7.356 127.256 119.914 -0.023 0.000 2.318 243 V HA 0.189 4.305 4.120 -0.006 0.000 0.271 243 V C 0.095 176.103 176.094 -0.144 0.000 1.030 243 V CA -0.593 61.661 62.300 -0.076 0.000 0.844 243 V CB 0.903 32.726 31.823 0.001 0.000 1.015 243 V HN 0.761 nan 8.190 nan 0.000 0.460 244 Q N 2.680 122.344 119.800 -0.227 0.000 2.293 244 Q HA 0.589 4.926 4.340 -0.006 0.000 0.261 244 Q C -0.688 175.158 176.000 -0.256 0.000 0.960 244 Q CA -0.624 55.055 55.803 -0.206 0.000 0.882 244 Q CB 1.753 30.372 28.738 -0.199 0.000 1.275 244 Q HN 0.494 nan 8.270 nan 0.000 0.445 245 T N 3.511 117.961 114.554 -0.175 0.000 2.733 245 T HA 0.415 4.762 4.350 -0.006 0.000 0.294 245 T C -0.165 174.472 174.700 -0.104 0.000 0.956 245 T CA -0.273 61.751 62.100 -0.128 0.000 0.987 245 T CB 0.766 69.629 68.868 -0.007 0.000 0.920 245 T HN 0.793 nan 8.240 nan 0.000 0.470 246 T N -0.087 114.407 114.554 -0.099 0.000 2.858 246 T HA 0.638 4.985 4.350 -0.006 0.000 0.285 246 T C -0.392 174.325 174.700 0.028 0.000 1.052 246 T CA -0.870 61.184 62.100 -0.076 0.000 1.009 246 T CB 1.639 70.436 68.868 -0.119 0.000 1.241 246 T HN 0.260 nan 8.240 nan 0.000 0.542 247 T N 1.866 116.467 114.554 0.078 0.000 2.788 247 T HA 0.432 4.779 4.350 -0.006 0.000 0.296 247 T C 0.208 175.016 174.700 0.179 0.000 1.009 247 T CA -0.521 61.685 62.100 0.177 0.000 0.949 247 T CB 0.157 69.220 68.868 0.324 0.000 0.946 247 T HN 0.696 nan 8.240 nan 0.000 0.453 248 I N 2.948 123.603 120.570 0.142 0.000 2.752 248 I HA 0.274 4.440 4.170 -0.006 0.000 0.289 248 I C 1.174 177.377 176.117 0.143 0.000 1.197 248 I CA 1.227 62.608 61.300 0.134 0.000 1.432 248 I CB 0.096 38.181 38.000 0.142 0.000 1.359 248 I HN 0.961 nan 8.210 nan 0.000 0.571 249 G N 5.924 114.808 108.800 0.139 0.000 2.221 249 G HA2 -0.346 3.611 3.960 -0.006 0.000 0.265 249 G HA3 -0.346 3.611 3.960 -0.006 0.000 0.265 249 G C 0.186 175.177 174.900 0.152 0.000 1.041 249 G CA 0.050 45.224 45.100 0.124 0.000 0.807 249 G HN 0.725 nan 8.290 nan 0.000 0.502 250 F N 0.872 120.867 119.950 0.075 0.000 2.549 250 F HA 0.335 4.858 4.527 -0.006 0.000 0.400 250 F C 1.558 177.463 175.800 0.174 0.000 1.011 250 F CA 1.897 59.959 58.000 0.104 0.000 1.148 250 F CB 0.159 39.217 39.000 0.096 0.000 0.993 250 F HN 1.073 nan 8.300 nan 0.000 0.540 251 G N 2.914 111.415 108.800 -0.499 0.000 2.376 251 G HA2 -0.243 3.714 3.960 -0.006 0.000 0.208 251 G HA3 -0.243 3.714 3.960 -0.006 0.000 0.208 251 G C 0.448 175.167 174.900 -0.303 0.000 1.032 251 G CA -0.022 44.821 45.100 -0.428 0.000 0.641 251 G HN 0.991 nan 8.290 nan 0.000 0.503 252 S N 0.920 116.526 115.700 -0.156 0.000 2.579 252 S HA 0.465 4.932 4.470 -0.006 0.000 0.275 252 S C 2.037 176.569 174.600 -0.113 0.000 1.345 252 S CA 1.052 59.185 58.200 -0.112 0.000 1.031 252 S CB 1.164 64.339 63.200 -0.042 0.000 0.892 252 S HN 1.627 nan 8.310 nan 0.000 0.529 253 S N 2.946 118.589 115.700 -0.094 0.000 2.447 253 S HA 0.035 4.502 4.470 -0.006 0.000 0.233 253 S C 0.944 175.516 174.600 -0.047 0.000 1.006 253 S CA 0.625 58.779 58.200 -0.077 0.000 0.957 253 S CB -0.335 62.826 63.200 -0.066 0.000 0.773 253 S HN 0.781 nan 8.310 nan 0.000 0.507 254 K N 2.008 122.390 120.400 -0.031 0.000 2.493 254 K HA 0.150 4.466 4.320 -0.006 0.000 0.207 254 K C 0.260 176.867 176.600 0.012 0.000 1.033 254 K CA -0.291 55.993 56.287 -0.005 0.000 1.161 254 K CB 0.283 32.786 32.500 0.005 0.000 0.873 254 K HN 0.720 nan 8.250 nan 0.000 0.491 255 Q N -0.264 119.536 119.800 -0.001 0.000 2.432 255 Q HA 0.118 4.454 4.340 -0.006 0.000 0.264 255 Q C 0.777 176.809 176.000 0.052 0.000 1.035 255 Q CA 0.706 56.526 55.803 0.029 0.000 0.908 255 Q CB 0.286 29.023 28.738 -0.001 0.000 1.280 255 Q HN 0.240 nan 8.270 nan 0.000 0.455 256 G N 0.839 109.691 108.800 0.087 0.000 2.162 256 G HA2 -0.323 3.634 3.960 -0.006 0.000 0.260 256 G HA3 -0.323 3.634 3.960 -0.006 0.000 0.260 256 G C 0.169 175.120 174.900 0.085 0.000 0.976 256 G CA 0.563 45.719 45.100 0.094 0.000 0.655 256 G HN 1.225 nan 8.290 nan 0.000 0.533 257 T N -2.881 111.720 114.554 0.080 0.000 2.930 257 T HA 0.650 4.996 4.350 -0.006 0.000 0.290 257 T C 1.162 175.919 174.700 0.096 0.000 1.052 257 T CA 0.323 62.467 62.100 0.074 0.000 1.017 257 T CB 1.901 70.800 68.868 0.051 0.000 1.137 257 T HN 0.310 nan 8.240 nan 0.000 0.511 258 E N 0.806 121.059 120.200 0.087 0.000 2.409 258 E HA -0.115 4.232 4.350 -0.006 0.000 0.198 258 E C 1.229 177.905 176.600 0.127 0.000 1.024 258 E CA 0.692 57.155 56.400 0.106 0.000 0.861 258 E CB -0.233 29.498 29.700 0.051 0.000 0.788 258 E HN 0.753 nan 8.360 nan 0.000 0.521 259 K N 0.928 121.382 120.400 0.089 0.000 2.209 259 K HA -0.067 4.249 4.320 -0.006 0.000 0.204 259 K C 2.049 178.698 176.600 0.083 0.000 1.048 259 K CA 1.476 57.807 56.287 0.074 0.000 0.940 259 K CB -0.056 32.471 32.500 0.045 0.000 0.729 259 K HN 0.199 nan 8.250 nan 0.000 0.451 260 V N -1.951 118.022 119.914 0.098 0.000 3.633 260 V HA 0.036 4.153 4.120 -0.006 0.000 0.283 260 V C 1.706 177.870 176.094 0.118 0.000 1.305 260 V CA 0.456 62.807 62.300 0.086 0.000 1.153 260 V CB -0.575 31.293 31.823 0.074 0.000 0.950 260 V HN 0.202 nan 8.190 nan 0.000 0.432 261 H N 2.710 121.837 119.070 0.095 0.000 2.256 261 H HA 0.183 4.735 4.556 -0.006 0.000 0.299 261 H C 1.651 177.093 175.328 0.189 0.000 1.071 261 H CA 2.295 58.437 56.048 0.156 0.000 1.280 261 H CB -0.152 29.693 29.762 0.139 0.000 1.370 261 H HN 0.526 nan 8.280 nan 0.000 0.490 262 G N -0.982 107.821 108.800 0.005 0.000 4.904 262 G HA2 0.625 4.582 3.960 -0.006 0.000 0.265 262 G HA3 0.625 4.582 3.960 -0.006 0.000 0.265 262 G C -1.250 173.524 174.900 -0.209 0.000 1.227 262 G CA 0.249 45.162 45.100 -0.312 0.000 0.926 262 G HN 0.628 nan 8.290 nan 0.000 0.581 263 A N 0.697 123.454 122.820 -0.106 0.000 2.566 263 A HA 0.852 5.168 4.320 -0.006 0.000 0.297 263 A C -3.133 174.436 177.584 -0.025 0.000 1.059 263 A CA -1.195 50.809 52.037 -0.054 0.000 0.691 263 A CB 1.696 20.688 19.000 -0.013 0.000 1.282 263 A HN 0.099 nan 8.150 nan 0.000 0.401 264 P HA 0.129 nan 4.420 nan 0.000 0.265 264 P C 0.815 178.113 177.300 -0.004 0.000 1.187 264 P CA -0.012 63.089 63.100 0.002 0.000 0.766 264 P CB 0.451 32.159 31.700 0.013 0.000 0.820 265 L N 1.443 122.661 121.223 -0.009 0.000 2.201 265 L HA 0.085 4.422 4.340 -0.006 0.000 0.212 265 L C 1.179 178.038 176.870 -0.018 0.000 1.105 265 L CA 1.089 55.921 54.840 -0.013 0.000 0.775 265 L CB -1.001 41.045 42.059 -0.021 0.000 0.913 265 L HN 0.730 nan 8.230 nan 0.000 0.440 266 G N 0.041 108.831 108.800 -0.017 0.000 2.712 266 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.686 266 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.686 266 G C 0.185 175.070 174.900 -0.025 0.000 1.181 266 G CA -0.051 45.039 45.100 -0.017 0.000 0.762 266 G HN 0.214 nan 8.290 nan 0.000 0.641 267 E N -0.001 120.186 120.200 -0.022 0.000 2.097 267 E HA -0.212 4.135 4.350 -0.006 0.000 0.196 267 E C 2.004 178.584 176.600 -0.033 0.000 1.000 267 E CA 1.869 58.254 56.400 -0.026 0.000 0.804 267 E CB -0.004 29.686 29.700 -0.017 0.000 0.740 267 E HN 0.683 nan 8.360 nan 0.000 0.454 268 E N 0.139 120.321 120.200 -0.030 0.000 2.047 268 E HA -0.238 4.109 4.350 -0.006 0.000 0.191 268 E C 1.806 178.377 176.600 -0.049 0.000 0.987 268 E CA 1.523 57.902 56.400 -0.036 0.000 0.799 268 E CB -0.135 29.546 29.700 -0.031 0.000 0.752 268 E HN 0.204 nan 8.360 nan 0.000 0.449 269 D N 0.147 120.517 120.400 -0.049 0.000 2.144 269 D HA -0.140 4.497 4.640 -0.006 0.000 0.199 269 D C 1.947 178.199 176.300 -0.079 0.000 0.984 269 D CA 1.043 55.004 54.000 -0.064 0.000 0.834 269 D CB -0.097 40.672 40.800 -0.053 0.000 0.955 269 D HN 0.280 nan 8.370 nan 0.000 0.465 270 I N 0.170 120.701 120.570 -0.065 0.000 2.315 270 I HA -0.216 3.951 4.170 -0.006 0.000 0.248 270 I C 2.401 178.473 176.117 -0.076 0.000 1.117 270 I CA 0.947 62.205 61.300 -0.070 0.000 1.404 270 I CB -0.282 37.680 38.000 -0.064 0.000 1.071 270 I HN 0.054 nan 8.210 nan 0.000 0.419 271 A N 0.934 123.713 122.820 -0.067 0.000 1.902 271 A HA -0.194 4.123 4.320 -0.006 0.000 0.217 271 A C 2.056 179.590 177.584 -0.084 0.000 1.181 271 A CA 1.666 53.665 52.037 -0.062 0.000 0.623 271 A CB -0.591 18.381 19.000 -0.047 0.000 0.818 271 A HN 0.409 nan 8.150 nan 0.000 0.443 272 N N 0.073 118.713 118.700 -0.100 0.000 2.188 272 N HA -0.067 4.669 4.740 -0.006 0.000 0.184 272 N C 1.687 177.070 175.510 -0.211 0.000 1.018 272 N CA 1.375 54.346 53.050 -0.130 0.000 0.858 272 N CB -0.362 38.053 38.487 -0.121 0.000 0.989 272 N HN 0.563 nan 8.380 nan 0.000 0.426 273 I N 1.555 121.982 120.570 -0.238 0.000 2.179 273 I HA -0.255 3.912 4.170 -0.006 0.000 0.242 273 I C 2.155 177.998 176.117 -0.457 0.000 1.088 273 I CA 1.202 62.253 61.300 -0.416 0.000 1.357 273 I CB -0.101 37.740 38.000 -0.264 0.000 1.051 273 I HN 0.076 nan 8.210 nan 0.000 0.409 274 K N 0.908 121.203 120.400 -0.175 0.000 2.026 274 K HA -0.137 4.180 4.320 -0.006 0.000 0.208 274 K C 2.293 178.865 176.600 -0.047 0.000 1.048 274 K CA 1.551 57.817 56.287 -0.036 0.000 0.929 274 K CB -0.342 32.156 32.500 -0.004 0.000 0.713 274 K HN 0.291 nan 8.250 nan 0.000 0.439 275 A N 2.029 124.798 122.820 -0.085 0.000 1.940 275 A HA -0.235 4.081 4.320 -0.006 0.000 0.219 275 A C 2.064 179.600 177.584 -0.081 0.000 1.176 275 A CA 1.791 53.791 52.037 -0.061 0.000 0.631 275 A CB -0.433 18.527 19.000 -0.066 0.000 0.814 275 A HN 0.274 nan 8.150 nan 0.000 0.446 276 K N -1.641 118.638 120.400 -0.202 0.000 2.209 276 K HA -0.105 4.211 4.320 -0.006 0.000 0.204 276 K C 0.590 177.138 176.600 -0.088 0.000 1.048 276 K CA 1.276 57.419 56.287 -0.240 0.000 0.940 276 K CB -0.194 32.022 32.500 -0.474 0.000 0.729 276 K HN 0.389 nan 8.250 nan 0.000 0.451 277 F N 0.317 120.270 119.950 0.004 0.000 2.693 277 F HA 0.302 4.825 4.527 -0.006 0.000 0.303 277 F C 1.275 177.089 175.800 0.025 0.000 1.097 277 F CA 0.062 58.078 58.000 0.027 0.000 1.330 277 F CB 0.288 39.309 39.000 0.036 0.000 1.067 277 F HN 0.236 nan 8.300 nan 0.000 0.565 278 G N 1.211 110.109 108.800 0.163 0.000 2.176 278 G HA2 -0.312 3.645 3.960 -0.006 0.000 0.252 278 G HA3 -0.312 3.645 3.960 -0.006 0.000 0.252 278 G C 0.441 175.398 174.900 0.096 0.000 1.024 278 G CA -0.180 44.983 45.100 0.104 0.000 0.755 278 G HN 0.385 nan 8.290 nan 0.000 0.507 279 R N -0.372 120.191 120.500 0.105 0.000 2.758 279 R HA 0.455 4.792 4.340 -0.006 0.000 0.265 279 R C -0.444 175.885 176.300 0.048 0.000 1.016 279 R CA -0.971 55.180 56.100 0.085 0.000 1.040 279 R CB 0.847 31.217 30.300 0.116 0.000 1.152 279 R HN 0.162 nan 8.270 nan 0.000 0.503 280 D N 2.884 123.307 120.400 0.039 0.000 2.382 280 D HA 0.013 4.650 4.640 -0.006 0.000 0.259 280 D C -1.450 174.857 176.300 0.012 0.000 1.224 280 D CA -1.386 52.628 54.000 0.023 0.000 0.894 280 D CB 1.110 41.925 40.800 0.024 0.000 1.127 280 D HN 0.244 nan 8.370 nan 0.000 0.487 281 P HA -0.036 nan 4.420 nan 0.000 0.245 281 P C 0.577 177.869 177.300 -0.013 0.000 1.212 281 P CA 0.425 63.516 63.100 -0.014 0.000 0.774 281 P CB 0.767 32.453 31.700 -0.023 0.000 0.999 282 Q N -0.159 119.639 119.800 -0.004 0.000 2.394 282 Q HA 0.171 4.508 4.340 -0.006 0.000 0.218 282 Q C 0.711 176.714 176.000 0.005 0.000 0.907 282 Q CA 0.769 56.572 55.803 -0.001 0.000 0.919 282 Q CB 0.105 28.846 28.738 0.004 0.000 1.051 282 Q HN 0.277 nan 8.270 nan 0.000 0.538 283 K N 1.384 121.790 120.400 0.010 0.000 2.276 283 K HA 0.278 4.595 4.320 -0.006 0.000 0.283 283 K C -0.316 176.286 176.600 0.003 0.000 1.044 283 K CA 0.044 56.343 56.287 0.019 0.000 0.944 283 K CB 0.949 33.467 32.500 0.029 0.000 1.012 283 K HN -0.090 nan 8.250 nan 0.000 0.472 284 K N 1.875 122.283 120.400 0.014 0.000 2.208 284 K HA 0.239 4.556 4.320 -0.006 0.000 0.247 284 K C -0.626 176.000 176.600 0.044 0.000 0.953 284 K CA -0.979 55.270 56.287 -0.064 0.000 0.837 284 K CB 1.284 33.729 32.500 -0.092 0.000 1.131 284 K HN 0.465 nan 8.250 nan 0.000 0.431 285 Y N -0.438 119.852 120.300 -0.017 0.000 3.305 285 Y HA -0.274 4.273 4.550 -0.006 0.000 0.212 285 Y C -0.256 175.638 175.900 -0.010 0.000 1.248 285 Y CA 0.336 58.416 58.100 -0.033 0.000 1.359 285 Y CB -1.399 37.029 38.460 -0.054 0.000 1.407 285 Y HN 0.626 nan 8.280 nan 0.000 0.572 286 D N 0.361 120.811 120.400 0.084 0.000 2.392 286 D HA 0.522 5.159 4.640 -0.006 0.000 0.228 286 D C -0.858 175.483 176.300 0.069 0.000 1.074 286 D CA -0.344 53.702 54.000 0.077 0.000 0.838 286 D CB 1.021 41.853 40.800 0.054 0.000 1.067 286 D HN -0.013 nan 8.370 nan 0.000 0.511 287 V N 5.114 125.077 119.914 0.082 0.000 2.313 287 V HA 0.202 4.319 4.120 -0.006 0.000 0.278 287 V C 0.067 176.195 176.094 0.057 0.000 1.017 287 V CA -0.993 61.348 62.300 0.068 0.000 0.823 287 V CB 1.187 33.057 31.823 0.079 0.000 1.010 287 V HN 0.588 nan 8.190 nan 0.000 0.443 288 D N 3.748 124.180 120.400 0.054 0.000 2.525 288 D HA -0.047 4.590 4.640 -0.006 0.000 0.235 288 D C 0.704 177.035 176.300 0.051 0.000 1.137 288 D CA 0.257 54.289 54.000 0.054 0.000 0.868 288 D CB 1.391 42.225 40.800 0.056 0.000 1.180 288 D HN 0.520 nan 8.370 nan 0.000 0.465 289 D N 1.222 121.653 120.400 0.050 0.000 2.218 289 D HA -0.146 4.491 4.640 -0.006 0.000 0.204 289 D C 1.478 177.805 176.300 0.045 0.000 0.976 289 D CA 0.889 54.917 54.000 0.045 0.000 0.853 289 D CB 0.174 41.000 40.800 0.043 0.000 0.939 289 D HN 0.566 nan 8.370 nan 0.000 0.481 290 D N 0.504 120.931 120.400 0.046 0.000 2.234 290 D HA -0.089 4.547 4.640 -0.006 0.000 0.205 290 D C 2.104 178.394 176.300 -0.016 0.000 0.962 290 D CA 0.288 54.291 54.000 0.006 0.000 0.855 290 D CB -0.466 40.336 40.800 0.004 0.000 0.951 290 D HN 0.089 nan 8.370 nan 0.000 0.500 291 V N 0.923 120.856 119.914 0.031 0.000 2.379 291 V HA -0.131 3.985 4.120 -0.006 0.000 0.245 291 V C 2.741 178.951 176.094 0.195 0.000 1.044 291 V CA 1.357 63.710 62.300 0.088 0.000 1.036 291 V CB -0.492 31.396 31.823 0.107 0.000 0.664 291 V HN 0.117 nan 8.190 nan 0.000 0.453 292 R N 0.182 120.759 120.500 0.128 0.000 2.096 292 R HA -0.123 4.214 4.340 -0.006 0.000 0.235 292 R C 2.380 178.765 176.300 0.142 0.000 1.127 292 R CA 1.418 57.591 56.100 0.122 0.000 0.968 292 R CB -0.535 29.783 30.300 0.030 0.000 0.861 292 R HN 0.534 nan 8.270 nan 0.000 0.440 293 A N 0.601 123.471 122.820 0.083 0.000 1.972 293 A HA -0.091 4.225 4.320 -0.006 0.000 0.219 293 A C 2.302 179.918 177.584 0.053 0.000 1.169 293 A CA 1.144 53.212 52.037 0.053 0.000 0.635 293 A CB -0.313 18.698 19.000 0.019 0.000 0.810 293 A HN 0.106 nan 8.150 nan 0.000 0.446 294 V N -1.376 118.567 119.914 0.049 0.000 2.307 294 V HA -0.224 3.893 4.120 -0.006 0.000 0.245 294 V C 2.268 178.361 176.094 -0.002 0.000 1.045 294 V CA 1.995 64.280 62.300 -0.025 0.000 1.024 294 V CB -0.942 30.816 31.823 -0.108 0.000 0.651 294 V HN 0.568 nan 8.190 nan 0.000 0.449 295 F N 0.301 120.272 119.950 0.035 0.000 2.146 295 F HA -0.127 4.397 4.527 -0.006 0.000 0.298 295 F C 2.616 178.461 175.800 0.075 0.000 1.096 295 F CA 1.877 59.933 58.000 0.094 0.000 1.275 295 F CB -0.429 38.633 39.000 0.103 0.000 1.008 295 F HN 0.022 nan 8.300 nan 0.000 0.480 296 R N 0.741 121.370 120.500 0.215 0.000 2.091 296 R HA -0.209 4.127 4.340 -0.006 0.000 0.238 296 R C 2.182 178.510 176.300 0.046 0.000 1.136 296 R CA 1.779 57.937 56.100 0.096 0.000 0.959 296 R CB -0.859 29.476 30.300 0.058 0.000 0.856 296 R HN 0.369 nan 8.270 nan 0.000 0.437 297 M N -0.787 118.840 119.600 0.045 0.000 2.108 297 M HA -0.222 4.255 4.480 -0.006 0.000 0.261 297 M C 1.962 178.274 176.300 0.020 0.000 1.066 297 M CA 2.310 57.621 55.300 0.017 0.000 1.107 297 M CB -0.338 32.268 32.600 0.010 0.000 1.356 297 M HN 0.392 nan 8.290 nan 0.000 0.406 298 H N 0.067 119.099 119.070 -0.065 0.000 2.326 298 H HA -0.092 4.460 4.556 -0.006 0.000 0.301 298 H C 1.563 176.811 175.328 -0.132 0.000 1.081 298 H CA 2.299 58.288 56.048 -0.099 0.000 1.334 298 H CB -0.144 29.546 29.762 -0.120 0.000 1.385 298 H HN 0.365 nan 8.280 nan 0.000 0.504 299 I N 0.916 121.387 120.570 -0.165 0.000 2.361 299 I HA -0.217 3.950 4.170 -0.006 0.000 0.251 299 I C 1.798 177.778 176.117 -0.228 0.000 1.133 299 I CA 1.215 62.350 61.300 -0.276 0.000 1.413 299 I CB -0.444 37.474 38.000 -0.137 0.000 1.073 299 I HN 0.340 nan 8.210 nan 0.000 0.424 300 D N 0.566 120.880 120.400 -0.143 0.000 2.117 300 D HA -0.168 4.469 4.640 -0.006 0.000 0.197 300 D C 2.205 178.420 176.300 -0.142 0.000 0.987 300 D CA 1.107 55.036 54.000 -0.119 0.000 0.829 300 D CB -0.085 40.672 40.800 -0.071 0.000 0.961 300 D HN 0.348 nan 8.370 nan 0.000 0.460 301 K N 0.104 120.408 120.400 -0.159 0.000 2.002 301 K HA -0.079 4.237 4.320 -0.006 0.000 0.209 301 K C 2.395 178.890 176.600 -0.175 0.000 1.048 301 K CA 1.007 57.207 56.287 -0.145 0.000 0.930 301 K CB -0.243 32.179 32.500 -0.129 0.000 0.714 301 K HN 0.150 nan 8.250 nan 0.000 0.438 302 C N 0.448 119.576 119.300 -0.286 0.000 2.422 302 C HA -0.076 4.380 4.460 -0.006 0.000 0.279 302 C C 3.040 177.890 174.990 -0.234 0.000 1.305 302 C CA 0.884 59.770 59.018 -0.220 0.000 1.757 302 C CB -0.743 26.789 27.740 -0.347 0.000 1.962 302 C HN 0.544 nan 8.230 nan 0.000 0.499 303 S N 0.682 116.227 115.700 -0.259 0.000 2.383 303 S HA -0.074 4.393 4.470 -0.006 0.000 0.227 303 S C 2.019 176.472 174.600 -0.245 0.000 1.026 303 S CA 1.459 59.490 58.200 -0.281 0.000 0.981 303 S CB -0.231 62.844 63.200 -0.208 0.000 0.818 303 S HN 0.612 nan 8.310 nan 0.000 0.472 304 A N 0.911 123.633 122.820 -0.164 0.000 1.930 304 A HA 0.001 4.317 4.320 -0.006 0.000 0.217 304 A C 2.017 179.550 177.584 -0.084 0.000 1.175 304 A CA 1.369 53.341 52.037 -0.107 0.000 0.627 304 A CB -0.624 18.333 19.000 -0.071 0.000 0.815 304 A HN 0.667 nan 8.150 nan 0.000 0.443 305 E N -0.762 119.395 120.200 -0.073 0.000 2.110 305 E HA -0.247 4.099 4.350 -0.006 0.000 0.193 305 E C 2.246 178.854 176.600 0.013 0.000 0.988 305 E CA 1.321 57.746 56.400 0.042 0.000 0.804 305 E CB -0.109 29.684 29.700 0.154 0.000 0.745 305 E HN 0.801 nan 8.360 nan 0.000 0.458 306 Q N 1.163 120.715 119.800 -0.414 0.000 2.050 306 Q HA -0.218 4.119 4.340 -0.006 0.000 0.202 306 Q C 2.180 178.063 176.000 -0.194 0.000 0.980 306 Q CA 1.536 56.863 55.803 -0.793 0.000 0.840 306 Q CB 0.022 27.829 28.738 -1.551 0.000 0.898 306 Q HN 0.013 nan 8.270 nan 0.000 0.424 307 K N -0.294 119.999 120.400 -0.178 0.000 2.032 307 K HA -0.183 4.133 4.320 -0.006 0.000 0.209 307 K C 1.928 178.532 176.600 0.008 0.000 1.048 307 K CA 1.328 57.573 56.287 -0.070 0.000 0.927 307 K CB -0.254 32.198 32.500 -0.081 0.000 0.712 307 K HN 0.278 nan 8.250 nan 0.000 0.441 308 A N 0.311 123.151 122.820 0.033 0.000 1.933 308 A HA -0.185 4.132 4.320 -0.006 0.000 0.218 308 A C 1.889 179.544 177.584 0.119 0.000 1.175 308 A CA 1.387 53.462 52.037 0.063 0.000 0.628 308 A CB -0.989 18.054 19.000 0.072 0.000 0.814 308 A HN 0.741 nan 8.150 nan 0.000 0.444 309 W N 0.886 122.213 121.300 0.045 0.000 2.358 309 W HA -0.136 4.521 4.660 -0.006 0.000 0.303 309 W C 1.872 178.448 176.519 0.094 0.000 1.208 309 W CA 1.824 59.245 57.345 0.126 0.000 1.274 309 W CB -0.110 29.536 29.460 0.309 0.000 1.138 309 W HN 0.458 nan 8.180 nan 0.000 0.515 310 E N -0.080 120.171 120.200 0.084 0.000 2.110 310 E HA -0.243 4.104 4.350 -0.006 0.000 0.193 310 E C 1.913 178.406 176.600 -0.179 0.000 0.988 310 E CA 1.712 58.041 56.400 -0.119 0.000 0.804 310 E CB -0.192 29.541 29.700 0.055 0.000 0.745 310 E HN 0.442 nan 8.360 nan 0.000 0.458 311 E N 0.217 120.361 120.200 -0.093 0.000 2.107 311 E HA -0.160 4.186 4.350 -0.006 0.000 0.191 311 E C 1.982 178.535 176.600 -0.078 0.000 0.982 311 E CA 0.391 56.753 56.400 -0.064 0.000 0.809 311 E CB 0.047 29.731 29.700 -0.026 0.000 0.756 311 E HN 0.090 nan 8.360 nan 0.000 0.459 312 L N 0.833 121.981 121.223 -0.126 0.000 2.083 312 L HA -0.123 4.213 4.340 -0.006 0.000 0.209 312 L C 2.068 178.876 176.870 -0.103 0.000 1.083 312 L CA 1.253 56.039 54.840 -0.090 0.000 0.752 312 L CB -0.320 41.667 42.059 -0.120 0.000 0.899 312 L HN 0.149 nan 8.230 nan 0.000 0.433 313 L N -0.309 120.677 121.223 -0.395 0.000 2.141 313 L HA -0.007 4.330 4.340 -0.006 0.000 0.209 313 L C 2.419 179.238 176.870 -0.084 0.000 1.094 313 L CA 1.884 56.490 54.840 -0.391 0.000 0.763 313 L CB -0.961 40.635 42.059 -0.771 0.000 0.908 313 L HN 0.269 nan 8.230 nan 0.000 0.437 314 A N -0.622 122.152 122.820 -0.075 0.000 1.898 314 A HA -0.176 4.141 4.320 -0.006 0.000 0.216 314 A C 2.304 179.918 177.584 0.051 0.000 1.181 314 A CA 1.665 53.700 52.037 -0.003 0.000 0.620 314 A CB -0.401 18.590 19.000 -0.016 0.000 0.819 314 A HN 0.486 nan 8.150 nan 0.000 0.442 315 K N -1.661 118.800 120.400 0.102 0.000 2.057 315 K HA -0.138 4.179 4.320 -0.006 0.000 0.206 315 K C 1.976 178.689 176.600 0.187 0.000 1.050 315 K CA 1.578 57.970 56.287 0.176 0.000 0.935 315 K CB -0.394 32.273 32.500 0.278 0.000 0.715 315 K HN 0.607 nan 8.250 nan 0.000 0.439 316 Y N 2.295 122.651 120.300 0.094 0.000 2.128 316 Y HA -0.256 4.290 4.550 -0.006 0.000 0.284 316 Y C 2.172 178.031 175.900 -0.068 0.000 1.154 316 Y CA 1.888 59.894 58.100 -0.156 0.000 1.149 316 Y CB -0.422 38.005 38.460 -0.054 0.000 0.976 316 Y HN -0.049 nan 8.280 nan 0.000 0.505 317 T N 0.455 115.068 114.554 0.098 0.000 2.915 317 T HA -0.100 4.247 4.350 -0.006 0.000 0.269 317 T C 1.983 176.644 174.700 -0.066 0.000 1.071 317 T CA 1.054 63.175 62.100 0.034 0.000 1.132 317 T CB -0.513 68.412 68.868 0.095 0.000 0.878 317 T HN 0.504 nan 8.240 nan 0.000 0.479 318 A N 1.009 123.779 122.820 -0.084 0.000 1.970 318 A HA 0.442 4.759 4.320 -0.006 0.000 0.216 318 A C 2.469 179.916 177.584 -0.227 0.000 1.170 318 A CA 1.228 53.199 52.037 -0.109 0.000 0.645 318 A CB -0.613 18.350 19.000 -0.062 0.000 0.816 318 A HN 0.475 nan 8.150 nan 0.000 0.447 319 A N -1.868 120.717 122.820 -0.392 0.000 2.081 319 A HA 0.439 4.755 4.320 -0.006 0.000 0.214 319 A C 0.259 177.183 177.584 -1.100 0.000 1.158 319 A CA 0.406 51.998 52.037 -0.742 0.000 0.724 319 A CB -0.113 18.315 19.000 -0.954 0.000 0.826 319 A HN 0.391 nan 8.150 nan 0.000 0.463 320 F N -1.183 118.497 119.950 -0.451 0.000 2.710 320 F HA 0.346 4.869 4.527 -0.006 0.000 0.345 320 F C -2.173 173.463 175.800 -0.273 0.000 1.362 320 F CA -2.146 55.596 58.000 -0.430 0.000 1.175 320 F CB 1.160 39.703 39.000 -0.761 0.000 1.561 320 F HN -0.027 nan 8.300 nan 0.000 0.593 321 P HA -0.298 nan 4.420 nan 0.000 0.214 321 P C 1.766 179.101 177.300 0.058 0.000 1.169 321 P CA 2.557 65.657 63.100 -0.000 0.000 0.908 321 P CB 0.337 32.027 31.700 -0.016 0.000 0.791 322 A N -0.536 122.323 122.820 0.066 0.000 1.865 322 A HA -0.260 4.056 4.320 -0.006 0.000 0.217 322 A C 2.154 179.830 177.584 0.154 0.000 1.191 322 A CA 2.178 54.272 52.037 0.095 0.000 0.623 322 A CB -1.447 17.599 19.000 0.076 0.000 0.826 322 A HN 0.131 nan 8.150 nan 0.000 0.444 323 E N -0.269 120.027 120.200 0.161 0.000 2.077 323 E HA -0.034 4.313 4.350 -0.006 0.000 0.193 323 E C 2.123 178.994 176.600 0.451 0.000 0.989 323 E CA 1.174 57.748 56.400 0.291 0.000 0.800 323 E CB -0.722 29.076 29.700 0.164 0.000 0.746 323 E HN 0.556 nan 8.360 nan 0.000 0.452 324 G N 0.706 109.699 108.800 0.322 0.000 2.446 324 G HA2 -0.281 3.675 3.960 -0.006 0.000 0.217 324 G HA3 -0.281 3.675 3.960 -0.006 0.000 0.217 324 G C 1.690 176.770 174.900 0.301 0.000 1.168 324 G CA 1.137 46.454 45.100 0.362 0.000 0.771 324 G HN 0.404 nan 8.290 nan 0.000 0.551 325 A N 1.161 124.113 122.820 0.220 0.000 1.877 325 A HA 0.258 4.574 4.320 -0.006 0.000 0.216 325 A C 2.840 180.546 177.584 0.203 0.000 1.186 325 A CA 2.360 54.503 52.037 0.177 0.000 0.620 325 A CB -0.854 18.225 19.000 0.132 0.000 0.822 325 A HN 0.831 nan 8.150 nan 0.000 0.443 326 A N -1.206 121.775 122.820 0.268 0.000 1.902 326 A HA -0.040 4.276 4.320 -0.006 0.000 0.217 326 A C 2.043 179.808 177.584 0.301 0.000 1.181 326 A CA 1.627 53.850 52.037 0.309 0.000 0.623 326 A CB -0.742 18.497 19.000 0.398 0.000 0.818 326 A HN 0.647 nan 8.150 nan 0.000 0.443 327 F N 0.767 120.779 119.950 0.104 0.000 2.046 327 F HA -0.196 4.327 4.527 -0.006 0.000 0.297 327 F C 2.329 178.036 175.800 -0.154 0.000 1.123 327 F CA 2.169 59.928 58.000 -0.402 0.000 1.199 327 F CB -0.534 38.171 39.000 -0.491 0.000 0.972 327 F HN 0.030 nan 8.300 nan 0.000 0.474 328 V N 0.505 120.460 119.914 0.068 0.000 2.332 328 V HA -0.344 3.772 4.120 -0.006 0.000 0.248 328 V C 2.699 178.767 176.094 -0.043 0.000 1.055 328 V CA 1.888 64.192 62.300 0.008 0.000 1.038 328 V CB -1.572 30.325 31.823 0.125 0.000 0.651 328 V HN 0.528 nan 8.190 nan 0.000 0.450 329 A N -1.022 121.807 122.820 0.016 0.000 1.858 329 A HA -0.281 4.036 4.320 -0.006 0.000 0.216 329 A C 2.177 179.752 177.584 -0.015 0.000 1.190 329 A CA 1.947 53.998 52.037 0.024 0.000 0.617 329 A CB -0.514 18.528 19.000 0.070 0.000 0.827 329 A HN 0.611 nan 8.150 nan 0.000 0.443 330 Q N -1.245 118.536 119.800 -0.032 0.000 2.084 330 Q HA -0.151 4.185 4.340 -0.006 0.000 0.202 330 Q C 2.044 177.976 176.000 -0.114 0.000 0.978 330 Q CA 1.477 57.256 55.803 -0.039 0.000 0.844 330 Q CB -0.293 28.461 28.738 0.026 0.000 0.898 330 Q HN 0.533 nan 8.270 nan 0.000 0.426 331 M N -0.014 119.426 119.600 -0.266 0.000 2.446 331 M HA -0.123 4.354 4.480 -0.006 0.000 0.263 331 M C 1.432 177.669 176.300 -0.107 0.000 1.066 331 M CA 1.434 56.583 55.300 -0.251 0.000 1.087 331 M CB -0.571 31.765 32.600 -0.439 0.000 1.406 331 M HN 0.133 nan 8.290 nan 0.000 0.459 332 R N -0.690 119.768 120.500 -0.070 0.000 2.312 332 R HA 0.231 4.568 4.340 -0.006 0.000 0.205 332 R C 1.124 177.419 176.300 -0.008 0.000 0.904 332 R CA 0.519 56.608 56.100 -0.020 0.000 1.052 332 R CB 0.162 30.461 30.300 -0.002 0.000 1.014 332 R HN 0.517 nan 8.270 nan 0.000 0.503 333 G N 1.805 110.595 108.800 -0.016 0.000 2.143 333 G HA2 -0.300 3.656 3.960 -0.006 0.000 0.248 333 G HA3 -0.300 3.656 3.960 -0.006 0.000 0.248 333 G C -0.329 174.564 174.900 -0.012 0.000 0.991 333 G CA -0.012 45.080 45.100 -0.013 0.000 0.689 333 G HN 0.381 nan 8.290 nan 0.000 0.522 334 E N -0.267 119.934 120.200 0.002 0.000 2.338 334 E HA 0.490 4.836 4.350 -0.006 0.000 0.272 334 E C 0.634 177.244 176.600 0.018 0.000 1.029 334 E CA -0.326 56.087 56.400 0.021 0.000 0.872 334 E CB 0.906 30.629 29.700 0.038 0.000 1.015 334 E HN 0.363 nan 8.360 nan 0.000 0.417 335 L N 4.734 125.973 121.223 0.026 0.000 2.307 335 L HA 0.352 4.688 4.340 -0.006 0.000 0.282 335 L C -2.056 174.885 176.870 0.118 0.000 1.051 335 L CA -2.265 52.571 54.840 -0.007 0.000 0.804 335 L CB 0.593 42.568 42.059 -0.140 0.000 1.197 335 L HN 0.279 nan 8.230 nan 0.000 0.431 336 P HA 0.039 nan 4.420 nan 0.000 0.267 336 P C -0.305 177.167 177.300 0.287 0.000 1.209 336 P CA -0.241 62.959 63.100 0.166 0.000 0.763 336 P CB 0.607 32.386 31.700 0.132 0.000 0.816 337 S N 2.183 118.011 115.700 0.213 0.000 2.569 337 S HA 0.319 4.785 4.470 -0.006 0.000 0.274 337 S C 1.382 176.067 174.600 0.141 0.000 1.353 337 S CA 0.275 58.584 58.200 0.182 0.000 1.023 337 S CB 0.001 63.257 63.200 0.093 0.000 0.876 337 S HN 0.987 nan 8.310 nan 0.000 0.540 338 G N 1.401 110.211 108.800 0.016 0.000 2.176 338 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.253 338 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.253 338 G C 0.755 175.642 174.900 -0.021 0.000 0.979 338 G CA 0.519 45.602 45.100 -0.029 0.000 0.641 338 G HN 1.115 nan 8.290 nan 0.000 0.530 339 W N 0.513 121.821 121.300 0.014 0.000 2.358 339 W HA 0.056 4.712 4.660 -0.006 0.000 0.303 339 W C 1.561 178.084 176.519 0.006 0.000 1.208 339 W CA 1.382 58.732 57.345 0.007 0.000 1.274 339 W CB -0.887 28.577 29.460 0.006 0.000 1.138 339 W HN 0.449 nan 8.180 nan 0.000 0.515 340 E N 1.422 121.062 120.200 -0.933 0.000 2.077 340 E HA -0.158 4.189 4.350 -0.006 0.000 0.193 340 E C 2.514 178.940 176.600 -0.291 0.000 0.989 340 E CA 1.819 57.760 56.400 -0.765 0.000 0.800 340 E CB -0.375 28.666 29.700 -1.100 0.000 0.746 340 E HN 0.185 nan 8.360 nan 0.000 0.452 341 A N 0.860 123.528 122.820 -0.253 0.000 2.131 341 A HA -0.185 4.132 4.320 -0.006 0.000 0.220 341 A C 1.807 179.356 177.584 -0.057 0.000 1.158 341 A CA 1.361 53.321 52.037 -0.128 0.000 0.665 341 A CB -0.265 18.670 19.000 -0.108 0.000 0.795 341 A HN 0.158 nan 8.150 nan 0.000 0.460 342 K N -0.625 119.759 120.400 -0.027 0.000 2.400 342 K HA 0.236 4.553 4.320 -0.006 0.000 0.194 342 K C -0.050 176.565 176.600 0.025 0.000 1.033 342 K CA -0.177 56.118 56.287 0.015 0.000 1.021 342 K CB -0.092 32.436 32.500 0.047 0.000 0.808 342 K HN 0.421 nan 8.250 nan 0.000 0.505 343 L N 2.767 124.007 121.223 0.028 0.000 2.483 343 L HA 0.057 4.394 4.340 -0.006 0.000 0.276 343 L C -2.076 174.813 176.870 0.032 0.000 1.213 343 L CA -1.788 53.078 54.840 0.043 0.000 0.843 343 L CB -0.221 41.881 42.059 0.072 0.000 1.107 343 L HN -0.117 nan 8.230 nan 0.000 0.487 344 P HA 0.173 nan 4.420 nan 0.000 0.272 344 P C -0.669 176.656 177.300 0.043 0.000 1.230 344 P CA -0.368 62.754 63.100 0.036 0.000 0.788 344 P CB 0.867 32.589 31.700 0.038 0.000 0.949 345 T N -1.664 112.912 114.554 0.036 0.000 2.907 345 T HA 0.412 4.758 4.350 -0.006 0.000 0.290 345 T C 0.060 174.783 174.700 0.038 0.000 1.066 345 T CA -1.076 61.047 62.100 0.038 0.000 1.012 345 T CB 0.475 69.360 68.868 0.029 0.000 1.184 345 T HN 0.112 nan 8.240 nan 0.000 0.522 346 N N 0.933 119.657 118.700 0.040 0.000 2.294 346 N HA 0.229 4.966 4.740 -0.006 0.000 0.248 346 N C 0.222 175.748 175.510 0.028 0.000 1.242 346 N CA 0.277 53.348 53.050 0.036 0.000 0.848 346 N CB 0.702 39.211 38.487 0.036 0.000 1.084 346 N HN 0.701 nan 8.380 nan 0.000 0.457 347 S N -0.324 115.391 115.700 0.025 0.000 4.274 347 S HA 0.276 4.742 4.470 -0.006 0.000 0.171 347 S C -0.197 174.413 174.600 0.017 0.000 1.154 347 S CA -0.400 57.812 58.200 0.020 0.000 1.145 347 S CB 0.007 63.220 63.200 0.021 0.000 1.986 347 S HN 0.499 nan 8.310 nan 0.000 0.795 348 S N 1.412 117.122 115.700 0.017 0.000 2.693 348 S HA 0.732 5.198 4.470 -0.006 0.000 0.276 348 S C -0.147 174.461 174.600 0.013 0.000 1.192 348 S CA -0.459 57.748 58.200 0.013 0.000 0.994 348 S CB 1.173 64.380 63.200 0.012 0.000 1.012 348 S HN 0.758 nan 8.310 nan 0.000 0.550 349 A N 1.760 124.584 122.820 0.007 0.000 2.404 349 A HA 0.579 4.896 4.320 -0.006 0.000 0.273 349 A C 0.088 177.677 177.584 0.008 0.000 1.144 349 A CA -0.394 51.645 52.037 0.003 0.000 0.806 349 A CB -0.899 18.097 19.000 -0.007 0.000 1.080 349 A HN 0.765 nan 8.150 nan 0.000 0.509 350 I N -1.084 119.494 120.570 0.015 0.000 3.095 350 I HA 0.827 4.994 4.170 -0.006 0.000 0.310 350 I C 0.123 176.255 176.117 0.024 0.000 1.196 350 I CA -1.380 59.933 61.300 0.022 0.000 0.985 350 I CB 1.937 39.957 38.000 0.034 0.000 1.250 350 I HN 0.581 nan 8.210 nan 0.000 0.446 351 A N 1.573 124.410 122.820 0.028 0.000 2.407 351 A HA 0.400 4.717 4.320 -0.006 0.000 0.248 351 A C 1.248 178.866 177.584 0.056 0.000 1.082 351 A CA 0.311 52.367 52.037 0.031 0.000 0.785 351 A CB 0.116 19.131 19.000 0.026 0.000 1.020 351 A HN 0.964 nan 8.150 nan 0.000 0.489 352 T N -0.275 114.317 114.554 0.063 0.000 3.007 352 T HA -0.160 4.187 4.350 -0.006 0.000 0.270 352 T C 1.664 176.436 174.700 0.120 0.000 1.107 352 T CA 1.284 63.438 62.100 0.089 0.000 1.118 352 T CB -0.300 68.621 68.868 0.087 0.000 0.889 352 T HN 0.749 nan 8.240 nan 0.000 0.506 353 R N 1.193 121.763 120.500 0.116 0.000 2.092 353 R HA -0.052 4.285 4.340 -0.006 0.000 0.231 353 R C 2.375 178.765 176.300 0.149 0.000 1.119 353 R CA 1.401 57.593 56.100 0.153 0.000 0.970 353 R CB -0.172 30.219 30.300 0.151 0.000 0.864 353 R HN 0.290 nan 8.270 nan 0.000 0.440 354 K N 0.398 120.866 120.400 0.114 0.000 2.116 354 K HA 0.092 4.409 4.320 -0.006 0.000 0.203 354 K C 1.784 178.444 176.600 0.100 0.000 1.052 354 K CA 1.357 57.704 56.287 0.100 0.000 0.952 354 K CB -0.217 32.327 32.500 0.074 0.000 0.729 354 K HN 0.260 nan 8.250 nan 0.000 0.446 355 A N -0.087 122.796 122.820 0.105 0.000 1.940 355 A HA -0.172 4.145 4.320 -0.006 0.000 0.219 355 A C 2.299 179.970 177.584 0.145 0.000 1.176 355 A CA 2.220 54.324 52.037 0.111 0.000 0.631 355 A CB -1.066 18.003 19.000 0.114 0.000 0.814 355 A HN 0.412 nan 8.150 nan 0.000 0.446 356 S N -0.818 115.001 115.700 0.199 0.000 2.368 356 S HA -0.201 4.265 4.470 -0.006 0.000 0.224 356 S C 2.033 176.717 174.600 0.139 0.000 1.029 356 S CA 1.589 59.973 58.200 0.307 0.000 0.988 356 S CB -0.336 63.101 63.200 0.395 0.000 0.838 356 S HN 0.685 nan 8.310 nan 0.000 0.462 357 E N 0.625 120.898 120.200 0.122 0.000 2.077 357 E HA -0.185 4.162 4.350 -0.006 0.000 0.193 357 E C 1.704 178.321 176.600 0.028 0.000 0.989 357 E CA 1.358 57.806 56.400 0.080 0.000 0.800 357 E CB -0.199 29.560 29.700 0.099 0.000 0.746 357 E HN 0.487 nan 8.360 nan 0.000 0.452 358 N N 0.339 119.060 118.700 0.035 0.000 2.166 358 N HA -0.148 4.589 4.740 -0.006 0.000 0.186 358 N C 1.894 177.387 175.510 -0.028 0.000 1.019 358 N CA 1.249 54.309 53.050 0.017 0.000 0.856 358 N CB -0.612 37.896 38.487 0.035 0.000 0.993 358 N HN 0.297 nan 8.380 nan 0.000 0.426 359 C N 0.751 120.005 119.300 -0.078 0.000 2.453 359 C HA 0.059 4.516 4.460 -0.006 0.000 0.277 359 C C 2.824 177.602 174.990 -0.354 0.000 1.262 359 C CA 0.038 58.929 59.018 -0.211 0.000 1.718 359 C CB -1.185 26.358 27.740 -0.328 0.000 2.031 359 C HN 0.406 nan 8.230 nan 0.000 0.480 360 L N 1.201 122.173 121.223 -0.417 0.000 2.131 360 L HA -0.158 4.178 4.340 -0.006 0.000 0.210 360 L C 2.791 179.654 176.870 -0.012 0.000 1.092 360 L CA 1.386 56.015 54.840 -0.351 0.000 0.759 360 L CB -0.620 41.323 42.059 -0.194 0.000 0.903 360 L HN 0.356 nan 8.230 nan 0.000 0.435 361 A N -0.823 122.003 122.820 0.010 0.000 2.070 361 A HA -0.097 4.219 4.320 -0.006 0.000 0.220 361 A C 2.241 179.853 177.584 0.048 0.000 1.159 361 A CA 1.499 53.571 52.037 0.058 0.000 0.656 361 A CB -0.369 18.650 19.000 0.032 0.000 0.800 361 A HN 0.238 nan 8.150 nan 0.000 0.453 362 V N -0.585 119.329 119.914 0.000 0.000 2.575 362 V HA -0.051 4.065 4.120 -0.006 0.000 0.242 362 V C 2.413 178.514 176.094 0.012 0.000 1.045 362 V CA 1.126 63.435 62.300 0.015 0.000 1.065 362 V CB -0.453 31.377 31.823 0.011 0.000 0.717 362 V HN 0.532 nan 8.190 nan 0.000 0.467 363 L N -1.173 119.998 121.223 -0.087 0.000 2.056 363 L HA -0.145 4.192 4.340 -0.006 0.000 0.207 363 L C 2.412 179.220 176.870 -0.102 0.000 1.078 363 L CA 1.821 56.566 54.840 -0.158 0.000 0.749 363 L CB -0.655 41.147 42.059 -0.429 0.000 0.901 363 L HN 0.241 nan 8.230 nan 0.000 0.433 364 F N 0.705 120.615 119.950 -0.067 0.000 2.065 364 F HA -0.201 4.323 4.527 -0.006 0.000 0.298 364 F C 0.021 175.829 175.800 0.014 0.000 1.112 364 F CA 2.012 60.014 58.000 0.002 0.000 1.212 364 F CB -1.412 37.605 39.000 0.030 0.000 0.975 364 F HN 0.147 nan 8.300 nan 0.000 0.476 365 P HA -0.091 nan 4.420 nan 0.000 0.220 365 P C 1.091 178.452 177.300 0.101 0.000 1.152 365 P CA 1.941 65.122 63.100 0.134 0.000 0.812 365 P CB -0.161 31.597 31.700 0.097 0.000 0.792 366 A N -0.066 122.808 122.820 0.089 0.000 1.968 366 A HA 0.041 4.358 4.320 -0.006 0.000 0.217 366 A C 1.555 179.177 177.584 0.064 0.000 1.169 366 A CA 0.756 52.848 52.037 0.092 0.000 0.638 366 A CB -0.758 18.318 19.000 0.128 0.000 0.812 366 A HN 0.173 nan 8.150 nan 0.000 0.446 367 I N 0.828 121.407 120.570 0.015 0.000 2.502 367 I HA 0.205 4.372 4.170 -0.006 0.000 0.276 367 I C -1.771 174.363 176.117 0.029 0.000 1.057 367 I CA -1.830 59.451 61.300 -0.031 0.000 1.163 367 I CB 1.985 39.885 38.000 -0.168 0.000 1.288 367 I HN 0.069 nan 8.210 nan 0.000 0.479 368 P HA -0.178 nan 4.420 nan 0.000 0.220 368 P C 1.281 178.664 177.300 0.138 0.000 1.148 368 P CA 1.053 64.222 63.100 0.115 0.000 0.803 368 P CB 0.439 32.196 31.700 0.095 0.000 0.782 369 A N -0.537 122.346 122.820 0.105 0.000 2.119 369 A HA 0.002 4.318 4.320 -0.006 0.000 0.217 369 A C 1.187 178.822 177.584 0.084 0.000 1.153 369 A CA -0.011 52.096 52.037 0.116 0.000 0.692 369 A CB -1.171 17.874 19.000 0.075 0.000 0.799 369 A HN 0.203 nan 8.150 nan 0.000 0.458 370 L N 0.217 121.465 121.223 0.040 0.000 2.540 370 L HA 0.337 4.673 4.340 -0.006 0.000 0.276 370 L C -0.092 176.814 176.870 0.060 0.000 1.212 370 L CA 0.944 55.776 54.840 -0.013 0.000 0.893 370 L CB 0.316 42.264 42.059 -0.186 0.000 1.138 370 L HN 0.444 nan 8.230 nan 0.000 0.491 371 M N 4.627 124.212 119.600 -0.024 0.000 2.271 371 M HA 0.650 5.127 4.480 -0.006 0.000 0.285 371 M C -0.489 175.572 176.300 -0.398 0.000 1.059 371 M CA -0.242 54.994 55.300 -0.107 0.000 0.940 371 M CB 1.651 34.113 32.600 -0.231 0.000 1.636 371 M HN 0.719 nan 8.290 nan 0.000 0.460 372 G N 1.735 110.184 108.800 -0.585 0.000 3.086 372 G HA2 0.956 4.912 3.960 -0.006 0.000 0.282 372 G HA3 0.956 4.912 3.960 -0.006 0.000 0.282 372 G C -1.011 173.363 174.900 -0.876 0.000 1.343 372 G CA -0.365 43.828 45.100 -1.511 0.000 0.895 372 G HN 1.023 nan 8.290 nan 0.000 0.557 373 G N -1.812 106.544 108.800 -0.740 0.000 2.320 373 G HA2 0.591 4.547 3.960 -0.006 0.000 0.296 373 G HA3 0.591 4.547 3.960 -0.006 0.000 0.296 373 G C -1.428 173.473 174.900 0.001 0.000 1.306 373 G CA 0.651 45.333 45.100 -0.696 0.000 0.836 373 G HN 1.515 nan 8.290 nan 0.000 0.517 374 S N -1.608 114.168 115.700 0.126 0.000 2.564 374 S HA 0.704 5.171 4.470 -0.006 0.000 0.274 374 S C -0.060 174.669 174.600 0.214 0.000 1.124 374 S CA 0.465 58.798 58.200 0.222 0.000 0.869 374 S CB 1.541 64.906 63.200 0.275 0.000 1.105 374 S HN 2.075 nan 8.310 nan 0.000 0.472 375 A N 2.962 125.833 122.820 0.085 0.000 3.056 375 A HA 0.451 4.768 4.320 -0.006 0.000 0.274 375 A C 0.462 178.037 177.584 -0.015 0.000 1.661 375 A CA 0.364 52.426 52.037 0.042 0.000 1.363 375 A CB -1.488 17.481 19.000 -0.052 0.000 1.139 375 A HN 1.189 nan 8.150 nan 0.000 0.598 376 D N -0.105 120.316 120.400 0.036 0.000 2.772 376 D HA -0.175 4.461 4.640 -0.006 0.000 0.233 376 D C 0.003 176.278 176.300 -0.041 0.000 1.143 376 D CA 1.401 55.404 54.000 0.004 0.000 0.700 376 D CB -1.379 39.403 40.800 -0.030 0.000 1.076 376 D HN 0.513 nan 8.370 nan 0.000 0.430 377 L N -0.586 120.620 121.223 -0.028 0.000 3.358 377 L HA 0.199 4.536 4.340 -0.006 0.000 0.301 377 L C 1.869 178.770 176.870 0.052 0.000 1.276 377 L CA 0.016 54.801 54.840 -0.091 0.000 1.028 377 L CB 0.378 42.234 42.059 -0.338 0.000 1.421 377 L HN -0.019 nan 8.230 nan 0.000 0.604 378 T N 1.375 116.010 114.554 0.135 0.000 2.624 378 T HA -0.120 4.226 4.350 -0.006 0.000 0.268 378 T C -0.573 174.213 174.700 0.142 0.000 1.041 378 T CA 1.820 64.038 62.100 0.198 0.000 1.159 378 T CB -0.812 68.175 68.868 0.198 0.000 0.863 378 T HN 0.300 nan 8.240 nan 0.000 0.434 379 P HA 0.153 nan 4.420 nan 0.000 0.237 379 P C 0.977 178.371 177.300 0.156 0.000 1.178 379 P CA 0.844 64.009 63.100 0.108 0.000 0.766 379 P CB 0.130 31.881 31.700 0.085 0.000 0.876 380 S N -0.370 115.440 115.700 0.182 0.000 2.502 380 S HA 0.091 4.557 4.470 -0.006 0.000 0.228 380 S C 1.679 176.489 174.600 0.350 0.000 1.061 380 S CA 0.192 58.569 58.200 0.295 0.000 0.935 380 S CB -0.443 62.936 63.200 0.299 0.000 0.809 380 S HN 0.287 nan 8.310 nan 0.000 0.510 381 N N 1.435 120.290 118.700 0.258 0.000 2.409 381 N HA 0.202 4.939 4.740 -0.006 0.000 0.179 381 N C -0.373 175.301 175.510 0.274 0.000 1.032 381 N CA 0.226 53.448 53.050 0.286 0.000 0.898 381 N CB -0.070 38.569 38.487 0.253 0.000 0.971 381 N HN 0.150 nan 8.380 nan 0.000 0.441 382 L N 0.850 122.215 121.223 0.237 0.000 3.597 382 L HA -0.191 4.145 4.340 -0.006 0.000 0.440 382 L C 0.462 177.471 176.870 0.233 0.000 1.277 382 L CA 0.186 55.145 54.840 0.198 0.000 0.852 382 L CB -2.254 39.912 42.059 0.177 0.000 1.708 382 L HN 0.369 nan 8.230 nan 0.000 0.885 383 T N -4.089 110.654 114.554 0.314 0.000 3.069 383 T HA 0.134 4.480 4.350 -0.006 0.000 0.252 383 T C 0.944 175.946 174.700 0.503 0.000 1.053 383 T CA -0.055 62.335 62.100 0.483 0.000 0.964 383 T CB 0.247 69.555 68.868 0.733 0.000 1.005 383 T HN 0.457 nan 8.240 nan 0.000 0.532 384 R N 2.393 122.979 120.500 0.142 0.000 2.748 384 R HA 0.285 4.622 4.340 -0.006 0.000 0.283 384 R C -2.710 173.527 176.300 -0.105 0.000 1.507 384 R CA -1.854 54.140 56.100 -0.177 0.000 1.666 384 R CB 0.726 30.623 30.300 -0.671 0.000 1.237 384 R HN 0.193 nan 8.270 nan 0.000 0.633 385 P HA -0.059 nan 4.420 nan 0.000 0.260 385 P C 0.566 177.829 177.300 -0.062 0.000 1.185 385 P CA 0.359 63.459 63.100 -0.000 0.000 0.763 385 P CB 1.363 33.096 31.700 0.055 0.000 0.776 386 A N 4.369 127.159 122.820 -0.050 0.000 1.986 386 A HA -0.217 4.100 4.320 -0.006 0.000 0.220 386 A C 2.253 179.806 177.584 -0.053 0.000 1.171 386 A CA 2.217 54.218 52.037 -0.060 0.000 0.640 386 A CB -1.349 17.629 19.000 -0.036 0.000 0.811 386 A HN 0.649 nan 8.150 nan 0.000 0.451 387 S N -0.298 115.383 115.700 -0.030 0.000 2.447 387 S HA 0.181 4.647 4.470 -0.006 0.000 0.233 387 S C 1.865 176.448 174.600 -0.029 0.000 1.006 387 S CA 1.006 59.194 58.200 -0.020 0.000 0.957 387 S CB -0.465 62.734 63.200 -0.001 0.000 0.773 387 S HN 0.891 nan 8.310 nan 0.000 0.507 388 A N 1.932 124.720 122.820 -0.052 0.000 2.121 388 A HA 0.099 4.416 4.320 -0.006 0.000 0.218 388 A C 1.150 178.664 177.584 -0.115 0.000 1.154 388 A CA 0.808 52.797 52.037 -0.081 0.000 0.679 388 A CB -1.097 17.797 19.000 -0.177 0.000 0.795 388 A HN 0.700 nan 8.150 nan 0.000 0.458 389 N N -1.344 117.290 118.700 -0.110 0.000 2.714 389 N HA -0.140 4.597 4.740 -0.006 0.000 0.253 389 N C -0.562 174.870 175.510 -0.130 0.000 1.024 389 N CA 0.536 53.527 53.050 -0.098 0.000 0.726 389 N CB -1.855 36.597 38.487 -0.059 0.000 0.908 389 N HN 0.499 nan 8.380 nan 0.000 0.542 390 L N -0.438 120.664 121.223 -0.202 0.000 2.453 390 L HA 0.483 4.819 4.340 -0.006 0.000 0.261 390 L C 0.657 177.448 176.870 -0.132 0.000 1.179 390 L CA -0.650 54.053 54.840 -0.228 0.000 0.813 390 L CB 0.952 42.776 42.059 -0.392 0.000 1.110 390 L HN -0.071 nan 8.230 nan 0.000 0.466 391 V N 0.499 120.370 119.914 -0.072 0.000 2.604 391 V HA 0.261 4.378 4.120 -0.006 0.000 0.305 391 V C -0.652 175.458 176.094 0.027 0.000 1.043 391 V CA -0.944 61.339 62.300 -0.028 0.000 0.888 391 V CB 1.988 33.801 31.823 -0.015 0.000 0.995 391 V HN 0.613 nan 8.190 nan 0.000 0.429 392 D N 2.346 122.768 120.400 0.037 0.000 2.372 392 D HA 0.199 4.835 4.640 -0.006 0.000 0.243 392 D C -0.338 175.998 176.300 0.059 0.000 1.121 392 D CA 0.061 54.116 54.000 0.092 0.000 0.898 392 D CB 0.865 41.712 40.800 0.078 0.000 1.202 392 D HN 0.383 nan 8.370 nan 0.000 0.428 393 F N 1.999 121.904 119.950 -0.074 0.000 2.467 393 F HA 0.304 4.827 4.527 -0.006 0.000 0.362 393 F C 0.350 176.083 175.800 -0.113 0.000 1.090 393 F CA -0.154 57.779 58.000 -0.112 0.000 1.202 393 F CB 0.300 39.179 39.000 -0.200 0.000 1.113 393 F HN 0.268 nan 8.300 nan 0.000 0.541 394 S N 2.088 117.295 115.700 -0.822 0.000 2.643 394 S HA 0.305 4.771 4.470 -0.006 0.000 0.270 394 S C 0.376 174.545 174.600 -0.718 0.000 1.166 394 S CA -0.206 57.615 58.200 -0.631 0.000 0.815 394 S CB 0.882 63.888 63.200 -0.323 0.000 1.139 394 S HN 0.704 nan 8.310 nan 0.000 0.472 395 S N 0.923 116.325 115.700 -0.497 0.000 2.419 395 S HA -0.086 4.381 4.470 -0.006 0.000 0.233 395 S C 1.585 176.008 174.600 -0.295 0.000 1.016 395 S CA 1.276 59.247 58.200 -0.382 0.000 0.974 395 S CB -0.954 62.069 63.200 -0.294 0.000 0.786 395 S HN 1.361 nan 8.310 nan 0.000 0.492 396 S N 0.864 116.407 115.700 -0.262 0.000 2.556 396 S HA 0.278 4.745 4.470 -0.006 0.000 0.216 396 S C 0.622 175.115 174.600 -0.178 0.000 0.970 396 S CA -0.017 58.072 58.200 -0.186 0.000 0.912 396 S CB -0.102 63.012 63.200 -0.143 0.000 0.790 396 S HN 0.652 nan 8.310 nan 0.000 0.504 397 S N 0.266 115.820 115.700 -0.242 0.000 2.486 397 S HA 0.431 4.898 4.470 -0.006 0.000 0.144 397 S C -0.014 174.441 174.600 -0.241 0.000 1.542 397 S CA -0.914 57.175 58.200 -0.184 0.000 1.262 397 S CB 0.499 63.621 63.200 -0.131 0.000 1.462 397 S HN 0.231 nan 8.310 nan 0.000 0.381 398 K N 1.560 121.824 120.400 -0.227 0.000 2.442 398 K HA -0.053 4.263 4.320 -0.006 0.000 0.198 398 K C 1.810 178.589 176.600 0.298 0.000 1.042 398 K CA 1.139 57.352 56.287 -0.124 0.000 0.958 398 K CB 0.033 32.512 32.500 -0.035 0.000 0.766 398 K HN 0.674 nan 8.250 nan 0.000 0.474 399 E N 1.024 121.317 120.200 0.156 0.000 2.489 399 E HA -0.022 4.324 4.350 -0.006 0.000 0.193 399 E C 0.633 177.428 176.600 0.326 0.000 1.057 399 E CA 0.111 56.623 56.400 0.187 0.000 0.866 399 E CB -0.305 29.400 29.700 0.007 0.000 0.916 399 E HN 0.123 nan 8.360 nan 0.000 0.500 400 G N 1.194 110.157 108.800 0.271 0.000 2.554 400 G HA2 0.056 4.012 3.960 -0.006 0.000 0.238 400 G HA3 0.056 4.012 3.960 -0.006 0.000 0.238 400 G C 0.414 175.429 174.900 0.192 0.000 1.259 400 G CA -0.539 44.680 45.100 0.197 0.000 0.843 400 G HN 0.143 nan 8.290 nan 0.000 0.582 401 R N 0.086 120.651 120.500 0.108 0.000 2.437 401 R HA 0.087 4.424 4.340 -0.006 0.000 0.257 401 R C -0.693 175.637 176.300 0.050 0.000 0.927 401 R CA -0.215 55.904 56.100 0.032 0.000 1.078 401 R CB 0.600 31.012 30.300 0.187 0.000 1.161 401 R HN 0.567 nan 8.270 nan 0.000 0.529 402 Y N 1.106 121.364 120.300 -0.070 0.000 2.328 402 Y HA 0.417 4.964 4.550 -0.006 0.000 0.337 402 Y C -0.509 175.330 175.900 -0.102 0.000 0.966 402 Y CA -1.019 57.037 58.100 -0.074 0.000 1.136 402 Y CB 0.799 39.216 38.460 -0.072 0.000 1.170 402 Y HN -0.136 nan 8.280 nan 0.000 0.470 403 I N 6.878 127.051 120.570 -0.661 0.000 2.336 403 I HA 0.404 4.570 4.170 -0.006 0.000 0.292 403 I C -0.256 175.440 176.117 -0.701 0.000 0.991 403 I CA -0.912 59.982 61.300 -0.676 0.000 1.227 403 I CB 0.896 38.241 38.000 -1.092 0.000 1.366 403 I HN 0.388 nan 8.210 nan 0.000 0.466 404 R N 6.170 126.460 120.500 -0.349 0.000 2.408 404 R HA 0.213 4.549 4.340 -0.006 0.000 0.308 404 R C 0.185 176.377 176.300 -0.180 0.000 1.210 404 R CA -0.205 55.815 56.100 -0.133 0.000 1.115 404 R CB -0.021 30.288 30.300 0.013 0.000 1.127 404 R HN 0.617 nan 8.270 nan 0.000 0.523 405 F N 0.802 120.713 119.950 -0.066 0.000 2.407 405 F HA 0.013 4.536 4.527 -0.006 0.000 0.299 405 F C 1.900 177.673 175.800 -0.045 0.000 1.097 405 F CA 1.081 59.051 58.000 -0.051 0.000 1.422 405 F CB 0.028 38.990 39.000 -0.063 0.000 1.067 405 F HN 0.745 nan 8.300 nan 0.000 0.539 406 G N -0.013 108.854 108.800 0.111 0.000 2.741 406 G HA2 -0.236 3.720 3.960 -0.006 0.000 0.222 406 G HA3 -0.236 3.720 3.960 -0.006 0.000 0.222 406 G C -0.418 174.499 174.900 0.028 0.000 1.364 406 G CA -0.590 44.529 45.100 0.032 0.000 0.866 406 G HN 0.039 nan 8.290 nan 0.000 0.555 407 V N 1.254 121.157 119.914 -0.018 0.000 1.956 407 V HA 0.351 4.468 4.120 -0.006 0.000 0.248 407 V C 1.075 177.154 176.094 -0.025 0.000 1.615 407 V CA 1.068 63.333 62.300 -0.058 0.000 1.558 407 V CB -1.036 30.733 31.823 -0.090 0.000 1.529 407 V HN 0.542 nan 8.190 nan 0.000 0.505 408 R N 1.343 121.848 120.500 0.009 0.000 2.674 408 R HA 0.290 4.627 4.340 -0.006 0.000 0.270 408 R C 0.384 176.702 176.300 0.029 0.000 1.492 408 R CA -0.397 55.730 56.100 0.045 0.000 1.624 408 R CB 0.756 31.105 30.300 0.081 0.000 1.307 408 R HN 0.375 nan 8.270 nan 0.000 0.683 409 E N 0.389 120.596 120.200 0.012 0.000 2.070 409 E HA -0.246 4.100 4.350 -0.006 0.000 0.197 409 E C 1.488 178.129 176.600 0.068 0.000 1.004 409 E CA 1.635 58.036 56.400 0.000 0.000 0.805 409 E CB -0.111 29.594 29.700 0.007 0.000 0.744 409 E HN 0.533 nan 8.360 nan 0.000 0.451 410 H N -0.721 118.364 119.070 0.025 0.000 2.293 410 H HA -0.072 4.481 4.556 -0.006 0.000 0.300 410 H C 1.996 177.314 175.328 -0.017 0.000 1.082 410 H CA 1.017 57.071 56.048 0.011 0.000 1.308 410 H CB 0.046 29.822 29.762 0.024 0.000 1.375 410 H HN 0.247 nan 8.280 nan 0.000 0.495 411 A N 0.889 123.756 122.820 0.079 0.000 1.972 411 A HA -0.189 4.128 4.320 -0.006 0.000 0.219 411 A C 2.458 180.038 177.584 -0.007 0.000 1.169 411 A CA 1.488 53.528 52.037 0.004 0.000 0.635 411 A CB -0.729 18.291 19.000 0.033 0.000 0.810 411 A HN 0.632 nan 8.150 nan 0.000 0.446 412 M N -0.638 118.902 119.600 -0.100 0.000 2.067 412 M HA -0.208 4.269 4.480 -0.006 0.000 0.260 412 M C 2.150 178.255 176.300 -0.326 0.000 1.069 412 M CA 2.356 57.364 55.300 -0.486 0.000 1.117 412 M CB -0.474 31.625 32.600 -0.835 0.000 1.334 412 M HN 0.440 nan 8.290 nan 0.000 0.407 413 C N 0.748 119.981 119.300 -0.112 0.000 2.425 413 C HA -0.046 4.410 4.460 -0.006 0.000 0.277 413 C C 3.031 178.041 174.990 0.034 0.000 1.280 413 C CA 1.023 60.068 59.018 0.044 0.000 1.744 413 C CB -1.599 26.234 27.740 0.154 0.000 1.989 413 C HN 0.761 nan 8.230 nan 0.000 0.491 414 A N 0.109 122.945 122.820 0.027 0.000 1.968 414 A HA -0.033 4.283 4.320 -0.006 0.000 0.217 414 A C 1.994 179.551 177.584 -0.044 0.000 1.169 414 A CA 1.253 53.286 52.037 -0.006 0.000 0.638 414 A CB -0.510 18.468 19.000 -0.036 0.000 0.812 414 A HN 0.608 nan 8.150 nan 0.000 0.446 415 I N -0.256 120.297 120.570 -0.029 0.000 2.315 415 I HA -0.216 3.950 4.170 -0.006 0.000 0.248 415 I C 2.224 178.311 176.117 -0.050 0.000 1.117 415 I CA 0.831 62.128 61.300 -0.004 0.000 1.404 415 I CB -0.262 37.815 38.000 0.128 0.000 1.071 415 I HN 0.292 nan 8.210 nan 0.000 0.419 416 L N 0.493 121.665 121.223 -0.085 0.000 2.079 416 L HA -0.237 4.099 4.340 -0.006 0.000 0.210 416 L C 2.267 179.023 176.870 -0.189 0.000 1.081 416 L CA 1.238 56.001 54.840 -0.128 0.000 0.752 416 L CB -0.855 41.102 42.059 -0.170 0.000 0.896 416 L HN 0.347 nan 8.230 nan 0.000 0.433 417 N N 0.529 119.091 118.700 -0.230 0.000 2.120 417 N HA -0.134 4.603 4.740 -0.006 0.000 0.188 417 N C 1.871 177.098 175.510 -0.472 0.000 1.024 417 N CA 1.587 54.330 53.050 -0.511 0.000 0.852 417 N CB -0.591 37.654 38.487 -0.403 0.000 1.003 417 N HN 0.365 nan 8.380 nan 0.000 0.424 418 G N 1.124 109.791 108.800 -0.222 0.000 2.408 418 G HA2 -0.132 3.825 3.960 -0.006 0.000 0.217 418 G HA3 -0.132 3.825 3.960 -0.006 0.000 0.217 418 G C 1.722 176.576 174.900 -0.077 0.000 1.150 418 G CA 0.259 45.286 45.100 -0.121 0.000 0.776 418 G HN 0.216 nan 8.290 nan 0.000 0.542 419 L N 0.336 121.501 121.223 -0.098 0.000 2.046 419 L HA -0.057 4.279 4.340 -0.006 0.000 0.208 419 L C 2.534 179.388 176.870 -0.027 0.000 1.077 419 L CA 1.579 56.375 54.840 -0.074 0.000 0.747 419 L CB -0.320 41.672 42.059 -0.111 0.000 0.896 419 L HN 0.231 nan 8.230 nan 0.000 0.432 420 D N -0.047 120.310 120.400 -0.072 0.000 2.144 420 D HA -0.168 4.469 4.640 -0.006 0.000 0.200 420 D C 2.119 178.468 176.300 0.082 0.000 0.978 420 D CA 1.194 55.194 54.000 -0.000 0.000 0.833 420 D CB 0.149 40.943 40.800 -0.011 0.000 0.961 420 D HN 0.241 nan 8.370 nan 0.000 0.470 421 A N -0.508 122.340 122.820 0.046 0.000 2.067 421 A HA -0.194 4.123 4.320 -0.006 0.000 0.219 421 A C 2.142 179.767 177.584 0.069 0.000 1.158 421 A CA 1.328 53.430 52.037 0.109 0.000 0.661 421 A CB -0.914 18.143 19.000 0.094 0.000 0.801 421 A HN 0.474 nan 8.150 nan 0.000 0.452 422 H N -0.291 118.776 119.070 -0.005 0.000 2.326 422 H HA -0.012 4.540 4.556 -0.006 0.000 0.301 422 H C -0.646 174.676 175.328 -0.010 0.000 1.081 422 H CA 1.796 57.840 56.048 -0.007 0.000 1.334 422 H CB 0.130 29.892 29.762 0.001 0.000 1.385 422 H HN 0.429 nan 8.280 nan 0.000 0.504 423 D N -3.168 117.336 120.400 0.173 0.000 10.674 423 D HA -0.054 4.583 4.640 -0.006 0.000 0.314 423 D C 0.713 177.106 176.300 0.156 0.000 3.155 423 D CA 1.165 55.225 54.000 0.100 0.000 2.814 423 D CB -1.181 39.614 40.800 -0.009 0.000 1.233 423 D HN 0.596 nan 8.370 nan 0.000 0.952 424 G N -0.156 108.673 108.800 0.050 0.000 2.176 424 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.253 424 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.253 424 G C 0.102 175.045 174.900 0.072 0.000 0.979 424 G CA 0.461 45.580 45.100 0.030 0.000 0.641 424 G HN 0.581 nan 8.290 nan 0.000 0.530 425 I N 0.429 121.034 120.570 0.058 0.000 2.647 425 I HA 0.532 4.699 4.170 -0.006 0.000 0.295 425 I C -0.087 176.036 176.117 0.010 0.000 1.078 425 I CA -1.236 60.086 61.300 0.037 0.000 1.048 425 I CB 1.924 39.921 38.000 -0.004 0.000 1.239 425 I HN -0.031 nan 8.210 nan 0.000 0.421 426 I N 6.701 127.270 120.570 -0.001 0.000 2.502 426 I HA 0.239 4.405 4.170 -0.006 0.000 0.276 426 I C -2.393 173.725 176.117 0.001 0.000 1.057 426 I CA -1.551 59.745 61.300 -0.007 0.000 1.163 426 I CB 1.897 39.881 38.000 -0.025 0.000 1.288 426 I HN 0.202 nan 8.210 nan 0.000 0.479 427 P HA 0.353 nan 4.420 nan 0.000 0.282 427 P C -1.129 176.185 177.300 0.023 0.000 1.249 427 P CA -0.126 62.936 63.100 -0.063 0.000 0.806 427 P CB 1.273 32.910 31.700 -0.105 0.000 0.984 428 F N -0.473 119.452 119.950 -0.041 0.000 2.619 428 F HA 0.822 5.345 4.527 -0.006 0.000 0.308 428 F C -1.154 174.646 175.800 0.000 0.000 1.097 428 F CA -1.075 56.902 58.000 -0.038 0.000 0.953 428 F CB 1.385 40.454 39.000 0.115 0.000 1.287 428 F HN 0.481 nan 8.300 nan 0.000 0.446 429 G N 0.238 109.175 108.800 0.228 0.000 2.620 429 G HA2 0.634 4.590 3.960 -0.006 0.000 0.301 429 G HA3 0.634 4.590 3.960 -0.006 0.000 0.301 429 G C -1.402 173.654 174.900 0.259 0.000 1.347 429 G CA -0.682 44.476 45.100 0.098 0.000 0.971 429 G HN 1.157 nan 8.290 nan 0.000 0.488 430 G N -1.111 107.835 108.800 0.243 0.000 2.453 430 G HA2 0.804 4.760 3.960 -0.006 0.000 0.323 430 G HA3 0.804 4.760 3.960 -0.006 0.000 0.323 430 G C -0.782 174.187 174.900 0.115 0.000 1.198 430 G CA -0.150 45.092 45.100 0.237 0.000 0.959 430 G HN 1.042 nan 8.290 nan 0.000 0.482 431 T N -0.966 113.648 114.554 0.101 0.000 2.652 431 T HA 0.449 4.796 4.350 -0.006 0.000 0.303 431 T C -1.550 173.217 174.700 0.112 0.000 1.738 431 T CA -0.639 61.461 62.100 -0.001 0.000 0.969 431 T CB 0.371 69.239 68.868 0.000 0.000 1.778 431 T HN 0.270 nan 8.240 nan 0.000 0.494 432 F N 2.637 122.619 119.950 0.053 0.000 2.484 432 F HA 0.345 4.870 4.527 -0.004 0.000 0.360 432 F C 1.504 177.248 175.800 -0.094 0.000 1.101 432 F CA -1.213 56.764 58.000 -0.039 0.000 1.251 432 F CB 0.389 39.303 39.000 -0.143 0.000 1.132 432 F HN 0.514 nan 8.300 nan 0.000 0.570 433 L N 3.096 124.400 121.223 0.135 0.000 2.021 433 L HA -0.290 4.046 4.340 -0.006 0.000 0.215 433 L C 2.008 178.810 176.870 -0.114 0.000 1.074 433 L CA 1.962 56.810 54.840 0.014 0.000 0.760 433 L CB -1.086 40.990 42.059 0.029 0.000 0.889 433 L HN 0.712 nan 8.230 nan 0.000 0.433 434 N N -1.203 117.339 118.700 -0.264 0.000 2.258 434 N HA -0.213 4.523 4.740 -0.006 0.000 0.187 434 N C 1.119 176.355 175.510 -0.456 0.000 1.012 434 N CA 1.360 54.145 53.050 -0.440 0.000 0.870 434 N CB -0.192 37.887 38.487 -0.679 0.000 0.977 434 N HN 0.423 nan 8.380 nan 0.000 0.434 435 F N -0.448 119.471 119.950 -0.053 0.000 2.693 435 F HA 0.280 4.804 4.527 -0.006 0.000 0.303 435 F C 1.458 177.200 175.800 -0.097 0.000 1.097 435 F CA -0.491 57.412 58.000 -0.162 0.000 1.330 435 F CB -0.064 38.733 39.000 -0.338 0.000 1.067 435 F HN 0.053 nan 8.300 nan 0.000 0.565 436 I N 0.119 120.700 120.570 0.018 0.000 2.676 436 I HA -0.092 4.075 4.170 -0.006 0.000 0.259 436 I C 2.509 178.600 176.117 -0.042 0.000 1.194 436 I CA 0.968 62.234 61.300 -0.057 0.000 1.473 436 I CB -1.498 36.415 38.000 -0.144 0.000 1.096 436 I HN 0.208 nan 8.210 nan 0.000 0.443 437 G N -0.467 108.348 108.800 0.024 0.000 2.470 437 G HA2 -0.280 3.677 3.960 -0.006 0.000 0.220 437 G HA3 -0.280 3.677 3.960 -0.006 0.000 0.220 437 G C 1.470 176.426 174.900 0.093 0.000 1.121 437 G CA 0.309 45.433 45.100 0.040 0.000 0.766 437 G HN 0.281 nan 8.290 nan 0.000 0.553 438 Y N 0.416 120.675 120.300 -0.067 0.000 2.516 438 Y HA 0.325 4.872 4.550 -0.006 0.000 0.291 438 Y C 2.501 178.216 175.900 -0.309 0.000 1.131 438 Y CA 0.075 58.107 58.100 -0.114 0.000 1.281 438 Y CB 0.287 38.725 38.460 -0.037 0.000 1.013 438 Y HN 0.238 nan 8.280 nan 0.000 0.554 439 A N -1.272 121.453 122.820 -0.159 0.000 2.564 439 A HA 0.260 4.577 4.320 -0.006 0.000 0.279 439 A C 1.610 178.993 177.584 -0.335 0.000 1.232 439 A CA -0.195 51.622 52.037 -0.367 0.000 0.950 439 A CB -0.693 18.242 19.000 -0.109 0.000 1.138 439 A HN 0.368 nan 8.150 nan 0.000 0.526 440 L N -0.628 120.424 121.223 -0.285 0.000 2.187 440 L HA -0.162 4.175 4.340 -0.006 0.000 0.213 440 L C 2.679 179.464 176.870 -0.141 0.000 1.100 440 L CA 1.257 55.980 54.840 -0.194 0.000 0.765 440 L CB -0.430 41.538 42.059 -0.152 0.000 0.904 440 L HN 0.545 nan 8.230 nan 0.000 0.437 441 G N -0.274 108.420 108.800 -0.176 0.000 2.446 441 G HA2 -0.269 3.688 3.960 -0.006 0.000 0.217 441 G HA3 -0.269 3.688 3.960 -0.006 0.000 0.217 441 G C 1.729 176.697 174.900 0.114 0.000 1.168 441 G CA 0.849 45.970 45.100 0.035 0.000 0.771 441 G HN 0.486 nan 8.290 nan 0.000 0.551 442 A N -0.140 122.783 122.820 0.171 0.000 1.930 442 A HA 0.244 4.560 4.320 -0.006 0.000 0.215 442 A C 2.557 180.200 177.584 0.098 0.000 1.176 442 A CA 1.431 53.559 52.037 0.151 0.000 0.632 442 A CB -0.388 18.737 19.000 0.207 0.000 0.819 442 A HN 0.229 nan 8.150 nan 0.000 0.445 443 V N 0.262 120.188 119.914 0.020 0.000 2.343 443 V HA -0.265 3.851 4.120 -0.006 0.000 0.247 443 V C 2.615 178.723 176.094 0.025 0.000 1.051 443 V CA 2.300 64.594 62.300 -0.010 0.000 1.036 443 V CB -0.833 30.856 31.823 -0.222 0.000 0.654 443 V HN 0.672 nan 8.190 nan 0.000 0.451 444 R N -0.146 120.352 120.500 -0.004 0.000 2.096 444 R HA -0.116 4.220 4.340 -0.006 0.000 0.235 444 R C 2.212 178.522 176.300 0.018 0.000 1.127 444 R CA 1.537 57.633 56.100 -0.005 0.000 0.968 444 R CB -0.244 30.044 30.300 -0.020 0.000 0.861 444 R HN 0.458 nan 8.270 nan 0.000 0.440 445 L N -0.021 121.231 121.223 0.049 0.000 2.217 445 L HA -0.024 4.313 4.340 -0.006 0.000 0.211 445 L C 2.573 179.520 176.870 0.128 0.000 1.107 445 L CA 0.847 55.728 54.840 0.069 0.000 0.783 445 L CB -0.394 41.714 42.059 0.082 0.000 0.919 445 L HN 0.315 nan 8.230 nan 0.000 0.442 446 A N 0.198 123.123 122.820 0.175 0.000 1.898 446 A HA -0.118 4.198 4.320 -0.006 0.000 0.216 446 A C 2.540 180.192 177.584 0.113 0.000 1.181 446 A CA 1.592 53.785 52.037 0.260 0.000 0.620 446 A CB -0.526 18.638 19.000 0.273 0.000 0.819 446 A HN 0.371 nan 8.150 nan 0.000 0.442 447 A N -0.058 122.792 122.820 0.049 0.000 1.873 447 A HA -0.030 4.286 4.320 -0.006 0.000 0.215 447 A C 2.120 179.590 177.584 -0.190 0.000 1.186 447 A CA 1.446 53.458 52.037 -0.042 0.000 0.616 447 A CB -0.564 18.423 19.000 -0.022 0.000 0.823 447 A HN 0.474 nan 8.150 nan 0.000 0.442 448 I N -0.055 120.436 120.570 -0.132 0.000 2.252 448 I HA -0.183 3.983 4.170 -0.006 0.000 0.245 448 I C 2.024 178.003 176.117 -0.230 0.000 1.102 448 I CA 1.516 62.717 61.300 -0.165 0.000 1.385 448 I CB -0.143 37.821 38.000 -0.060 0.000 1.064 448 I HN 0.199 nan 8.210 nan 0.000 0.414 449 S N -1.035 114.559 115.700 -0.176 0.000 2.593 449 S HA 0.020 4.487 4.470 -0.006 0.000 0.217 449 S C 0.254 174.767 174.600 -0.146 0.000 0.966 449 S CA -0.061 58.009 58.200 -0.217 0.000 0.914 449 S CB -0.203 62.763 63.200 -0.390 0.000 0.776 449 S HN 0.366 nan 8.310 nan 0.000 0.523 450 H N 1.475 120.537 119.070 -0.014 0.000 2.819 450 H HA -0.127 4.425 4.556 -0.006 0.000 0.315 450 H C -0.428 174.961 175.328 0.102 0.000 1.242 450 H CA 0.623 56.737 56.048 0.111 0.000 1.157 450 H CB -2.201 27.702 29.762 0.235 0.000 1.451 450 H HN 0.496 nan 8.280 nan 0.000 0.430 451 H N 0.828 120.013 119.070 0.193 0.000 2.525 451 H HA 0.257 4.810 4.556 -0.006 0.000 0.339 451 H C 1.123 176.502 175.328 0.085 0.000 1.109 451 H CA -0.371 55.754 56.048 0.128 0.000 1.352 451 H CB 1.220 31.017 29.762 0.059 0.000 1.461 451 H HN 0.288 nan 8.280 nan 0.000 0.533 452 R N 3.068 123.683 120.500 0.192 0.000 2.391 452 R HA 0.328 4.664 4.340 -0.006 0.000 0.310 452 R C -1.094 175.208 176.300 0.003 0.000 1.174 452 R CA -0.467 55.676 56.100 0.072 0.000 1.118 452 R CB -0.525 29.792 30.300 0.028 0.000 1.134 452 R HN 0.397 nan 8.270 nan 0.000 0.524 453 V N 2.047 121.918 119.914 -0.071 0.000 2.735 453 V HA 0.633 4.750 4.120 -0.006 0.000 0.310 453 V C -0.365 175.499 176.094 -0.385 0.000 1.061 453 V CA -1.047 61.111 62.300 -0.237 0.000 0.913 453 V CB 2.069 33.685 31.823 -0.345 0.000 1.005 453 V HN 0.511 nan 8.190 nan 0.000 0.428 454 I N 4.081 124.436 120.570 -0.358 0.000 2.406 454 I HA 0.500 4.666 4.170 -0.006 0.000 0.290 454 I C -1.261 174.640 176.117 -0.361 0.000 0.999 454 I CA -0.545 60.556 61.300 -0.332 0.000 1.124 454 I CB 1.868 39.754 38.000 -0.191 0.000 1.289 454 I HN 0.653 nan 8.210 nan 0.000 0.441 455 Y N 5.150 125.423 120.300 -0.045 0.000 2.342 455 Y HA 0.375 4.922 4.550 -0.006 0.000 0.338 455 Y C 0.110 175.987 175.900 -0.038 0.000 0.965 455 Y CA -0.992 57.103 58.100 -0.009 0.000 1.159 455 Y CB 1.328 39.775 38.460 -0.022 0.000 1.157 455 Y HN 0.185 nan 8.280 nan 0.000 0.486 456 V N 4.195 124.209 119.914 0.166 0.000 2.299 456 V HA 0.390 4.506 4.120 -0.006 0.000 0.255 456 V C 0.266 176.467 176.094 0.179 0.000 1.100 456 V CA -0.503 61.872 62.300 0.125 0.000 0.938 456 V CB -0.173 31.774 31.823 0.208 0.000 1.139 456 V HN 0.853 nan 8.190 nan 0.000 0.490 457 A N 4.167 127.075 122.820 0.147 0.000 2.444 457 A HA 0.635 4.952 4.320 -0.006 0.000 0.332 457 A C 0.727 178.431 177.584 0.200 0.000 1.430 457 A CA -0.233 51.901 52.037 0.162 0.000 0.975 457 A CB 0.215 19.277 19.000 0.102 0.000 1.147 457 A HN 0.757 nan 8.150 nan 0.000 0.524 458 T N -0.566 114.168 114.554 0.299 0.000 2.814 458 T HA 0.437 4.783 4.350 -0.006 0.000 0.284 458 T C 0.303 175.266 174.700 0.437 0.000 0.998 458 T CA -0.019 62.311 62.100 0.383 0.000 0.935 458 T CB -0.034 69.153 68.868 0.533 0.000 1.167 458 T HN 0.818 nan 8.240 nan 0.000 0.545 459 H N 0.437 119.565 119.070 0.096 0.000 2.592 459 H HA -0.088 4.465 4.556 -0.006 0.000 0.323 459 H C 0.657 175.972 175.328 -0.022 0.000 1.117 459 H CA 0.880 56.893 56.048 -0.058 0.000 1.120 459 H CB -1.795 27.723 29.762 -0.408 0.000 1.561 459 H HN 0.806 nan 8.280 nan 0.000 0.409 460 D N -1.048 119.430 120.400 0.130 0.000 2.363 460 D HA 0.004 4.641 4.640 -0.006 0.000 0.226 460 D C 0.885 177.325 176.300 0.234 0.000 1.020 460 D CA 0.884 54.989 54.000 0.175 0.000 0.892 460 D CB 0.302 41.229 40.800 0.213 0.000 0.900 460 D HN 0.540 nan 8.370 nan 0.000 0.531 461 S N -0.693 115.087 115.700 0.133 0.000 2.761 461 S HA 0.219 4.686 4.470 -0.006 0.000 0.290 461 S C 1.022 175.642 174.600 0.033 0.000 1.222 461 S CA -0.375 57.895 58.200 0.117 0.000 0.954 461 S CB -0.379 62.839 63.200 0.029 0.000 1.281 461 S HN 0.062 nan 8.310 nan 0.000 0.527 462 I N -0.209 120.339 120.570 -0.038 0.000 3.164 462 I HA 0.239 4.406 4.170 -0.006 0.000 0.278 462 I C 1.768 177.899 176.117 0.023 0.000 1.320 462 I CA 1.132 62.404 61.300 -0.047 0.000 1.422 462 I CB -1.198 36.710 38.000 -0.153 0.000 1.066 462 I HN 0.705 nan 8.210 nan 0.000 0.503 463 G N 1.319 110.170 108.800 0.085 0.000 2.509 463 G HA2 -0.100 3.856 3.960 -0.006 0.000 0.218 463 G HA3 -0.100 3.856 3.960 -0.006 0.000 0.218 463 G C 1.543 176.464 174.900 0.035 0.000 1.124 463 G CA 0.672 45.870 45.100 0.163 0.000 0.776 463 G HN 0.360 nan 8.290 nan 0.000 0.547 464 V N 0.745 120.654 119.914 -0.007 0.000 2.490 464 V HA 0.100 4.216 4.120 -0.006 0.000 0.250 464 V C 2.367 178.456 176.094 -0.009 0.000 1.061 464 V CA 1.758 64.028 62.300 -0.049 0.000 1.064 464 V CB -1.052 30.753 31.823 -0.029 0.000 0.670 464 V HN 0.847 nan 8.190 nan 0.000 0.461 465 G N -0.107 108.709 108.800 0.027 0.000 2.523 465 G HA2 -0.388 3.569 3.960 -0.006 0.000 0.271 465 G HA3 -0.388 3.569 3.960 -0.006 0.000 0.271 465 G C 0.571 175.486 174.900 0.026 0.000 1.146 465 G CA 0.459 45.582 45.100 0.038 0.000 0.961 465 G HN 0.355 nan 8.290 nan 0.000 0.549 466 E N 0.917 121.126 120.200 0.015 0.000 2.187 466 E HA -0.068 4.278 4.350 -0.006 0.000 0.199 466 E C 1.943 178.528 176.600 -0.024 0.000 1.004 466 E CA 1.589 57.991 56.400 0.003 0.000 0.813 466 E CB -0.209 29.493 29.700 0.003 0.000 0.736 466 E HN 0.490 nan 8.360 nan 0.000 0.468 467 D N -0.252 120.110 120.400 -0.062 0.000 2.265 467 D HA -0.032 4.604 4.640 -0.006 0.000 0.208 467 D C 1.081 177.315 176.300 -0.109 0.000 0.977 467 D CA 1.420 55.316 54.000 -0.173 0.000 0.871 467 D CB -0.264 40.327 40.800 -0.349 0.000 0.925 467 D HN 0.265 nan 8.370 nan 0.000 0.485 468 G N 0.081 108.875 108.800 -0.010 0.000 2.685 468 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.387 468 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.387 468 G C -1.853 173.101 174.900 0.090 0.000 1.324 468 G CA -0.182 44.947 45.100 0.047 0.000 0.878 468 G HN -0.044 nan 8.290 nan 0.000 0.527 469 P HA -0.185 nan 4.420 nan 0.000 0.217 469 P C 1.849 179.186 177.300 0.061 0.000 1.148 469 P CA 3.065 66.214 63.100 0.082 0.000 0.828 469 P CB -0.428 31.306 31.700 0.057 0.000 0.783 470 T N -5.198 109.424 114.554 0.113 0.000 3.072 470 T HA -0.083 4.263 4.350 -0.006 0.000 0.266 470 T C 1.238 176.042 174.700 0.174 0.000 1.127 470 T CA 1.044 63.233 62.100 0.149 0.000 1.107 470 T CB -0.943 68.066 68.868 0.234 0.000 0.910 470 T HN 0.197 nan 8.240 nan 0.000 0.513 471 H N 0.286 119.355 119.070 -0.001 0.000 2.893 471 H HA 0.413 4.966 4.556 -0.005 0.000 0.270 471 H C 0.133 175.365 175.328 -0.160 0.000 1.095 471 H CA -0.349 55.632 56.048 -0.112 0.000 1.186 471 H CB 0.457 30.191 29.762 -0.046 0.000 1.562 471 H HN 0.459 nan 8.280 nan 0.000 0.536 472 Q N 1.703 121.525 119.800 0.037 0.000 2.368 472 Q HA 0.295 4.632 4.340 -0.006 0.000 0.256 472 Q C -2.631 173.389 176.000 0.032 0.000 0.980 472 Q CA -2.209 53.609 55.803 0.025 0.000 0.887 472 Q CB 1.886 30.651 28.738 0.046 0.000 1.221 472 Q HN 0.095 nan 8.270 nan 0.000 0.458 473 P HA -0.051 nan 4.420 nan 0.000 0.276 473 P C 0.071 177.422 177.300 0.086 0.000 1.235 473 P CA -0.016 63.087 63.100 0.005 0.000 0.772 473 P CB 1.023 32.693 31.700 -0.050 0.000 0.871 474 V N 0.437 120.367 119.914 0.026 0.000 3.408 474 V HA 0.189 4.305 4.120 -0.006 0.000 0.263 474 V C 1.044 177.105 176.094 -0.056 0.000 1.503 474 V CA 0.544 62.881 62.300 0.063 0.000 1.046 474 V CB 0.009 31.810 31.823 -0.036 0.000 0.851 474 V HN 0.467 nan 8.190 nan 0.000 0.435 475 E N 0.474 120.600 120.200 -0.124 0.000 2.541 475 E HA 0.137 4.483 4.350 -0.006 0.000 0.219 475 E C 1.635 178.125 176.600 -0.184 0.000 0.922 475 E CA 0.327 56.637 56.400 -0.150 0.000 1.095 475 E CB 0.283 29.897 29.700 -0.144 0.000 1.112 475 E HN 0.425 nan 8.360 nan 0.000 0.516 476 L N 1.455 122.554 121.223 -0.207 0.000 2.046 476 L HA -0.055 4.282 4.340 -0.006 0.000 0.208 476 L C 2.234 178.963 176.870 -0.234 0.000 1.077 476 L CA 1.309 56.032 54.840 -0.196 0.000 0.747 476 L CB -0.544 41.411 42.059 -0.173 0.000 0.896 476 L HN 0.005 nan 8.230 nan 0.000 0.432 477 V N -0.135 119.552 119.914 -0.378 0.000 2.407 477 V HA -0.296 3.821 4.120 -0.006 0.000 0.248 477 V C 2.757 178.741 176.094 -0.182 0.000 1.055 477 V CA 1.509 63.619 62.300 -0.316 0.000 1.049 477 V CB -1.279 30.239 31.823 -0.509 0.000 0.662 477 V HN 0.596 nan 8.190 nan 0.000 0.455 478 A N 0.004 122.729 122.820 -0.158 0.000 1.902 478 A HA -0.114 4.203 4.320 -0.006 0.000 0.217 478 A C 2.443 180.002 177.584 -0.042 0.000 1.181 478 A CA 2.028 54.035 52.037 -0.051 0.000 0.623 478 A CB -0.736 18.288 19.000 0.040 0.000 0.818 478 A HN 0.565 nan 8.150 nan 0.000 0.443 479 A N -0.176 122.593 122.820 -0.085 0.000 1.902 479 A HA -0.050 4.267 4.320 -0.006 0.000 0.217 479 A C 2.142 179.682 177.584 -0.073 0.000 1.181 479 A CA 1.540 53.529 52.037 -0.081 0.000 0.623 479 A CB -0.617 18.320 19.000 -0.105 0.000 0.818 479 A HN 0.481 nan 8.150 nan 0.000 0.443 480 L N -1.398 119.771 121.223 -0.091 0.000 2.141 480 L HA -0.111 4.225 4.340 -0.006 0.000 0.209 480 L C 2.750 179.587 176.870 -0.055 0.000 1.094 480 L CA 1.097 55.888 54.840 -0.081 0.000 0.763 480 L CB -0.414 41.587 42.059 -0.097 0.000 0.908 480 L HN 0.319 nan 8.230 nan 0.000 0.437 481 R N -0.030 120.436 120.500 -0.056 0.000 2.148 481 R HA -0.046 4.291 4.340 -0.006 0.000 0.223 481 R C 2.343 178.621 176.300 -0.037 0.000 1.088 481 R CA 1.050 57.122 56.100 -0.046 0.000 0.985 481 R CB -0.262 29.995 30.300 -0.072 0.000 0.880 481 R HN 0.324 nan 8.270 nan 0.000 0.451 482 A N 0.733 123.537 122.820 -0.027 0.000 2.067 482 A HA -0.024 4.292 4.320 -0.006 0.000 0.217 482 A C 1.118 178.690 177.584 -0.020 0.000 1.156 482 A CA 0.097 52.126 52.037 -0.014 0.000 0.683 482 A CB -0.167 18.843 19.000 0.016 0.000 0.808 482 A HN 0.212 nan 8.150 nan 0.000 0.455 483 M N 1.396 120.980 119.600 -0.027 0.000 2.246 483 M HA 0.297 4.774 4.480 -0.006 0.000 0.350 483 M C -2.659 173.631 176.300 -0.018 0.000 1.406 483 M CA -1.831 53.453 55.300 -0.026 0.000 1.089 483 M CB 0.318 32.897 32.600 -0.035 0.000 1.782 483 M HN -0.108 nan 8.290 nan 0.000 0.457 484 P HA 0.169 nan 4.420 nan 0.000 0.271 484 P C -0.825 176.470 177.300 -0.008 0.000 1.218 484 P CA 0.198 63.292 63.100 -0.010 0.000 0.780 484 P CB 0.488 32.180 31.700 -0.013 0.000 0.901 485 N N 0.295 119.001 118.700 0.010 0.000 2.727 485 N HA -0.194 4.543 4.740 -0.006 0.000 0.249 485 N C -1.329 174.201 175.510 0.033 0.000 1.048 485 N CA 0.623 53.689 53.050 0.027 0.000 0.714 485 N CB -1.373 37.111 38.487 -0.004 0.000 0.959 485 N HN 0.304 nan 8.380 nan 0.000 0.544 486 L N 0.351 121.594 121.223 0.033 0.000 2.438 486 L HA 0.491 4.828 4.340 -0.006 0.000 0.270 486 L C -0.661 176.234 176.870 0.042 0.000 0.972 486 L CA -0.426 54.441 54.840 0.045 0.000 0.831 486 L CB 1.796 43.870 42.059 0.025 0.000 1.273 486 L HN 0.170 nan 8.230 nan 0.000 0.405 487 Q N 3.688 123.520 119.800 0.054 0.000 2.278 487 Q HA 0.595 4.931 4.340 -0.006 0.000 0.257 487 Q C -1.156 174.867 176.000 0.038 0.000 0.928 487 Q CA -0.606 55.224 55.803 0.044 0.000 0.932 487 Q CB 2.174 30.936 28.738 0.041 0.000 1.221 487 Q HN 0.557 nan 8.270 nan 0.000 0.434 488 V N 5.626 125.557 119.914 0.030 0.000 2.284 488 V HA 0.370 4.487 4.120 -0.006 0.000 0.274 488 V C -0.292 175.824 176.094 0.038 0.000 1.023 488 V CA -0.454 61.861 62.300 0.025 0.000 0.808 488 V CB 0.457 32.285 31.823 0.009 0.000 1.035 488 V HN 0.654 nan 8.190 nan 0.000 0.445 489 I N 4.347 124.934 120.570 0.029 0.000 2.336 489 I HA 0.561 4.728 4.170 -0.006 0.000 0.292 489 I C 0.358 176.507 176.117 0.053 0.000 0.991 489 I CA -0.522 60.801 61.300 0.038 0.000 1.227 489 I CB 1.463 39.468 38.000 0.009 0.000 1.366 489 I HN 0.469 nan 8.210 nan 0.000 0.466 490 R N 8.072 128.625 120.500 0.087 0.000 2.477 490 R HA 0.361 4.697 4.340 -0.006 0.000 0.285 490 R C -2.584 173.775 176.300 0.097 0.000 1.415 490 R CA -1.625 54.539 56.100 0.107 0.000 1.446 490 R CB 0.910 31.306 30.300 0.159 0.000 1.110 490 R HN 0.333 nan 8.270 nan 0.000 0.590 491 P HA -0.012 nan 4.420 nan 0.000 0.268 491 P C 0.153 177.502 177.300 0.081 0.000 1.205 491 P CA 0.152 63.307 63.100 0.092 0.000 0.771 491 P CB 1.757 33.512 31.700 0.091 0.000 0.858 492 S N 1.218 116.964 115.700 0.076 0.000 2.458 492 S HA 0.009 4.476 4.470 -0.006 0.000 0.223 492 S C 0.453 175.082 174.600 0.047 0.000 1.019 492 S CA 0.489 58.719 58.200 0.049 0.000 0.937 492 S CB -0.481 62.737 63.200 0.030 0.000 0.788 492 S HN 0.619 nan 8.310 nan 0.000 0.511 493 D N -0.975 119.464 120.400 0.066 0.000 2.825 493 D HA 0.271 4.907 4.640 -0.006 0.000 0.327 493 D C 0.618 176.966 176.300 0.080 0.000 1.277 493 D CA -0.675 53.362 54.000 0.062 0.000 0.950 493 D CB 0.156 40.986 40.800 0.050 0.000 1.438 493 D HN -0.086 nan 8.370 nan 0.000 0.526 494 Q N -0.283 119.561 119.800 0.073 0.000 2.077 494 Q HA -0.124 4.213 4.340 -0.006 0.000 0.206 494 Q C 1.672 177.727 176.000 0.092 0.000 0.989 494 Q CA 3.076 58.929 55.803 0.083 0.000 0.853 494 Q CB -0.953 27.823 28.738 0.065 0.000 0.907 494 Q HN 0.614 nan 8.270 nan 0.000 0.418 495 T N 0.738 115.340 114.554 0.082 0.000 2.708 495 T HA -0.149 4.198 4.350 -0.006 0.000 0.266 495 T C 1.470 176.229 174.700 0.099 0.000 1.037 495 T CA 1.574 63.723 62.100 0.082 0.000 1.146 495 T CB -0.232 68.680 68.868 0.075 0.000 0.865 495 T HN 0.432 nan 8.240 nan 0.000 0.435 496 E N 0.397 120.666 120.200 0.114 0.000 2.106 496 E HA -0.084 4.263 4.350 -0.006 0.000 0.192 496 E C 2.417 179.093 176.600 0.126 0.000 0.984 496 E CA 1.165 57.642 56.400 0.128 0.000 0.806 496 E CB -0.186 29.603 29.700 0.147 0.000 0.750 496 E HN 0.403 nan 8.360 nan 0.000 0.458 497 T N 0.529 115.163 114.554 0.134 0.000 2.788 497 T HA -0.095 4.251 4.350 -0.006 0.000 0.268 497 T C 2.096 176.943 174.700 0.244 0.000 1.044 497 T CA 1.111 63.313 62.100 0.169 0.000 1.139 497 T CB -0.083 68.894 68.868 0.181 0.000 0.867 497 T HN 0.021 nan 8.240 nan 0.000 0.454 498 S N 0.664 116.486 115.700 0.204 0.000 2.402 498 S HA 0.015 4.482 4.470 -0.006 0.000 0.229 498 S C 2.387 177.114 174.600 0.212 0.000 1.021 498 S CA 0.953 59.283 58.200 0.217 0.000 0.974 498 S CB -0.584 62.696 63.200 0.133 0.000 0.800 498 S HN 0.637 nan 8.310 nan 0.000 0.484 499 G N 1.236 110.125 108.800 0.149 0.000 2.408 499 G HA2 0.006 3.962 3.960 -0.006 0.000 0.217 499 G HA3 0.006 3.962 3.960 -0.006 0.000 0.217 499 G C 1.547 176.526 174.900 0.131 0.000 1.150 499 G CA 0.786 45.955 45.100 0.116 0.000 0.776 499 G HN 0.546 nan 8.290 nan 0.000 0.542 500 A N 0.179 123.070 122.820 0.118 0.000 1.877 500 A HA -0.058 4.258 4.320 -0.006 0.000 0.216 500 A C 2.190 179.791 177.584 0.028 0.000 1.186 500 A CA 1.417 53.480 52.037 0.043 0.000 0.620 500 A CB -0.742 18.248 19.000 -0.017 0.000 0.822 500 A HN 0.505 nan 8.150 nan 0.000 0.443 501 W N -0.328 121.013 121.300 0.069 0.000 2.363 501 W HA -0.032 4.624 4.660 -0.006 0.000 0.296 501 W C 2.747 179.346 176.519 0.133 0.000 1.212 501 W CA 1.415 58.794 57.345 0.057 0.000 1.260 501 W CB -0.027 29.458 29.460 0.041 0.000 1.131 501 W HN 0.415 nan 8.180 nan 0.000 0.530 502 A N -0.368 122.719 122.820 0.444 0.000 1.877 502 A HA -0.186 4.131 4.320 -0.006 0.000 0.216 502 A C 1.971 179.768 177.584 0.355 0.000 1.186 502 A CA 2.104 54.448 52.037 0.512 0.000 0.620 502 A CB -1.156 18.014 19.000 0.283 0.000 0.822 502 A HN 0.078 nan 8.150 nan 0.000 0.443 503 V N -0.132 119.898 119.914 0.194 0.000 2.295 503 V HA -0.252 3.864 4.120 -0.006 0.000 0.246 503 V C 3.088 179.233 176.094 0.085 0.000 1.049 503 V CA 1.995 64.364 62.300 0.114 0.000 1.024 503 V CB -1.290 30.569 31.823 0.061 0.000 0.648 503 V HN 0.628 nan 8.190 nan 0.000 0.447 504 A N -0.304 122.539 122.820 0.038 0.000 1.883 504 A HA -0.207 4.110 4.320 -0.006 0.000 0.217 504 A C 2.202 179.794 177.584 0.013 0.000 1.186 504 A CA 2.036 54.057 52.037 -0.026 0.000 0.624 504 A CB -0.640 18.250 19.000 -0.183 0.000 0.822 504 A HN 0.509 nan 8.150 nan 0.000 0.444 505 L N 0.342 121.600 121.223 0.059 0.000 2.201 505 L HA -0.119 4.217 4.340 -0.006 0.000 0.212 505 L C 2.485 179.335 176.870 -0.034 0.000 1.105 505 L CA 1.402 56.214 54.840 -0.046 0.000 0.775 505 L CB -0.223 41.673 42.059 -0.272 0.000 0.913 505 L HN 0.600 nan 8.230 nan 0.000 0.440 506 S N -3.027 112.728 115.700 0.092 0.000 2.556 506 S HA 0.094 4.561 4.470 -0.006 0.000 0.216 506 S C 0.842 175.473 174.600 0.052 0.000 0.970 506 S CA -0.459 57.811 58.200 0.116 0.000 0.912 506 S CB 0.150 63.485 63.200 0.225 0.000 0.790 506 S HN 0.134 nan 8.310 nan 0.000 0.504 507 S N 2.993 118.712 115.700 0.031 0.000 2.955 507 S HA 0.336 4.802 4.470 -0.006 0.000 0.294 507 S C 1.319 175.907 174.600 -0.020 0.000 1.198 507 S CA -0.677 57.535 58.200 0.021 0.000 1.008 507 S CB -0.128 63.096 63.200 0.039 0.000 1.279 507 S HN 0.636 nan 8.310 nan 0.000 0.508 508 I N -0.564 119.942 120.570 -0.108 0.000 2.567 508 I HA -0.121 4.046 4.170 -0.006 0.000 0.257 508 I C 0.751 176.668 176.117 -0.335 0.000 1.184 508 I CA 1.499 62.638 61.300 -0.268 0.000 1.451 508 I CB -0.378 37.353 38.000 -0.448 0.000 1.089 508 I HN 0.529 nan 8.210 nan 0.000 0.441 509 H N 0.229 119.348 119.070 0.083 0.000 2.662 509 H HA 0.376 4.929 4.556 -0.006 0.000 0.268 509 H C -0.671 174.775 175.328 0.197 0.000 1.152 509 H CA -0.162 55.970 56.048 0.140 0.000 1.072 509 H CB 0.690 30.486 29.762 0.056 0.000 1.660 509 H HN 0.183 nan 8.280 nan 0.000 0.584 510 T N 3.231 117.909 114.554 0.206 0.000 3.011 510 T HA 0.209 4.555 4.350 -0.006 0.000 0.303 510 T C -2.855 171.909 174.700 0.107 0.000 0.997 510 T CA -1.447 60.749 62.100 0.161 0.000 1.007 510 T CB 2.604 71.550 68.868 0.131 0.000 1.017 510 T HN -0.026 nan 8.240 nan 0.000 0.443 511 P HA 0.329 nan 4.420 nan 0.000 0.272 511 P C -0.785 176.576 177.300 0.102 0.000 1.223 511 P CA -0.194 62.968 63.100 0.102 0.000 0.784 511 P CB 0.671 32.489 31.700 0.197 0.000 0.923 512 T N 1.253 115.842 114.554 0.058 0.000 2.881 512 T HA 0.326 4.673 4.350 -0.006 0.000 0.290 512 T C -0.399 174.378 174.700 0.129 0.000 1.000 512 T CA -0.445 61.687 62.100 0.053 0.000 0.978 512 T CB 1.227 70.068 68.868 -0.045 0.000 0.997 512 T HN 0.075 nan 8.240 nan 0.000 0.443 513 V N 4.593 124.588 119.914 0.135 0.000 2.370 513 V HA 0.417 4.533 4.120 -0.006 0.000 0.279 513 V C -0.206 175.897 176.094 0.015 0.000 1.029 513 V CA -0.759 61.625 62.300 0.140 0.000 0.870 513 V CB 1.132 32.989 31.823 0.056 0.000 0.984 513 V HN 0.713 nan 8.190 nan 0.000 0.451 514 L N 4.764 125.967 121.223 -0.034 0.000 2.255 514 L HA 0.386 4.722 4.340 -0.006 0.000 0.289 514 L C -0.369 176.505 176.870 0.007 0.000 1.046 514 L CA -0.262 54.523 54.840 -0.091 0.000 0.816 514 L CB 1.029 42.925 42.059 -0.273 0.000 1.197 514 L HN 0.612 nan 8.230 nan 0.000 0.427 515 C N 5.690 125.015 119.300 0.042 0.000 2.256 515 C HA 0.465 4.922 4.460 -0.006 0.000 0.333 515 C C 0.475 175.529 174.990 0.106 0.000 1.183 515 C CA -0.672 58.403 59.018 0.095 0.000 1.692 515 C CB -0.974 26.847 27.740 0.134 0.000 2.274 515 C HN 0.562 nan 8.230 nan 0.000 0.509 516 L N 3.514 124.810 121.223 0.121 0.000 2.334 516 L HA 0.586 4.923 4.340 -0.006 0.000 0.273 516 L C 0.614 177.556 176.870 0.120 0.000 1.013 516 L CA -0.033 54.881 54.840 0.123 0.000 0.816 516 L CB 1.594 43.739 42.059 0.145 0.000 1.278 516 L HN 0.655 nan 8.230 nan 0.000 0.431 517 S N 1.318 117.068 115.700 0.083 0.000 2.616 517 S HA 0.354 4.821 4.470 -0.006 0.000 0.277 517 S C 0.675 175.264 174.600 -0.019 0.000 1.234 517 S CA -0.665 57.557 58.200 0.036 0.000 1.028 517 S CB 1.946 65.162 63.200 0.027 0.000 0.988 517 S HN 0.766 nan 8.310 nan 0.000 0.522 518 R N 0.925 121.344 120.500 -0.135 0.000 2.080 518 R HA 0.017 4.354 4.340 -0.006 0.000 0.222 518 R C 0.771 177.001 176.300 -0.117 0.000 1.107 518 R CA 0.555 56.491 56.100 -0.273 0.000 0.980 518 R CB -0.167 29.781 30.300 -0.588 0.000 0.879 518 R HN 0.904 nan 8.270 nan 0.000 0.439 519 Q N 1.569 121.324 119.800 -0.075 0.000 2.260 519 Q HA 0.116 4.453 4.340 -0.006 0.000 0.238 519 Q C -0.965 175.018 176.000 -0.028 0.000 0.948 519 Q CA -0.474 55.304 55.803 -0.041 0.000 0.895 519 Q CB 0.566 29.284 28.738 -0.032 0.000 1.218 519 Q HN 0.010 nan 8.270 nan 0.000 0.470 520 N N 1.564 120.248 118.700 -0.026 0.000 2.416 520 N HA 0.107 4.844 4.740 -0.006 0.000 0.246 520 N C -0.258 175.230 175.510 -0.037 0.000 1.260 520 N CA 0.560 53.598 53.050 -0.021 0.000 0.897 520 N CB 0.601 39.076 38.487 -0.019 0.000 1.110 520 N HN 0.772 nan 8.380 nan 0.000 0.439 521 T N -2.183 112.357 114.554 -0.024 0.000 2.907 521 T HA 0.372 4.719 4.350 -0.006 0.000 0.292 521 T C -0.506 174.178 174.700 -0.026 0.000 1.043 521 T CA -1.028 61.051 62.100 -0.035 0.000 1.003 521 T CB 1.945 70.803 68.868 -0.017 0.000 1.084 521 T HN 0.140 nan 8.240 nan 0.000 0.483 522 E N 3.208 123.387 120.200 -0.036 0.000 2.229 522 E HA 0.331 4.677 4.350 -0.006 0.000 0.283 522 E C -2.201 174.391 176.600 -0.012 0.000 1.030 522 E CA -2.322 54.062 56.400 -0.026 0.000 0.836 522 E CB 0.970 30.648 29.700 -0.037 0.000 1.068 522 E HN 0.537 nan 8.360 nan 0.000 0.401 523 P HA 0.027 nan 4.420 nan 0.000 0.269 523 P C -0.499 176.805 177.300 0.008 0.000 1.209 523 P CA -0.195 62.912 63.100 0.012 0.000 0.776 523 P CB 0.844 32.554 31.700 0.017 0.000 0.876 524 Q N 0.907 120.717 119.800 0.017 0.000 2.322 524 Q HA 0.185 4.522 4.340 -0.006 0.000 0.265 524 Q C 1.219 177.236 176.000 0.029 0.000 0.985 524 Q CA -0.386 55.424 55.803 0.013 0.000 0.849 524 Q CB 1.783 30.523 28.738 0.003 0.000 1.274 524 Q HN 0.533 nan 8.270 nan 0.000 0.449 525 S N 0.541 116.254 115.700 0.021 0.000 2.474 525 S HA -0.080 4.386 4.470 -0.006 0.000 0.235 525 S C 1.410 176.038 174.600 0.045 0.000 0.997 525 S CA 0.952 59.170 58.200 0.029 0.000 0.949 525 S CB -0.002 63.209 63.200 0.018 0.000 0.766 525 S HN 0.737 nan 8.310 nan 0.000 0.517 526 G N 0.866 109.695 108.800 0.048 0.000 2.777 526 G HA2 0.214 4.170 3.960 -0.006 0.000 0.211 526 G HA3 0.214 4.170 3.960 -0.006 0.000 0.211 526 G C 0.353 175.363 174.900 0.182 0.000 1.149 526 G CA -0.219 44.930 45.100 0.082 0.000 0.785 526 G HN 0.497 nan 8.290 nan 0.000 0.536 527 S N 0.302 116.103 115.700 0.168 0.000 2.568 527 S HA 0.468 4.934 4.470 -0.006 0.000 0.282 527 S C 0.292 175.010 174.600 0.197 0.000 1.338 527 S CA 0.199 58.560 58.200 0.268 0.000 1.045 527 S CB 1.125 64.428 63.200 0.173 0.000 0.873 527 S HN 0.714 nan 8.310 nan 0.000 0.516 528 S N 0.904 116.689 115.700 0.142 0.000 2.543 528 S HA 0.450 4.917 4.470 -0.006 0.000 0.274 528 S C 0.456 174.996 174.600 -0.101 0.000 1.149 528 S CA -0.910 57.281 58.200 -0.014 0.000 0.866 528 S CB 0.358 63.524 63.200 -0.058 0.000 1.111 528 S HN 0.462 nan 8.310 nan 0.000 0.457 529 I N 1.367 121.906 120.570 -0.052 0.000 2.286 529 I HA -0.135 4.031 4.170 -0.006 0.000 0.248 529 I C 2.797 178.865 176.117 -0.082 0.000 1.115 529 I CA 1.657 62.932 61.300 -0.041 0.000 1.392 529 I CB -0.235 37.755 38.000 -0.017 0.000 1.065 529 I HN 0.948 nan 8.210 nan 0.000 0.418 530 E N 1.273 121.416 120.200 -0.095 0.000 2.085 530 E HA -0.222 4.124 4.350 -0.006 0.000 0.194 530 E C 2.232 178.775 176.600 -0.095 0.000 0.994 530 E CA 1.513 57.882 56.400 -0.051 0.000 0.801 530 E CB -0.186 29.479 29.700 -0.058 0.000 0.743 530 E HN 0.529 nan 8.360 nan 0.000 0.453 531 G N 0.590 109.093 108.800 -0.494 0.000 2.418 531 G HA2 -0.229 3.728 3.960 -0.006 0.000 0.217 531 G HA3 -0.229 3.728 3.960 -0.006 0.000 0.217 531 G C 1.670 176.263 174.900 -0.511 0.000 1.158 531 G CA 0.981 45.399 45.100 -1.136 0.000 0.771 531 G HN 0.240 nan 8.290 nan 0.000 0.545 532 V N 0.744 120.498 119.914 -0.266 0.000 2.407 532 V HA -0.146 3.970 4.120 -0.006 0.000 0.248 532 V C 2.840 178.960 176.094 0.044 0.000 1.055 532 V CA 1.666 63.978 62.300 0.021 0.000 1.049 532 V CB -0.456 31.398 31.823 0.051 0.000 0.662 532 V HN 0.296 nan 8.190 nan 0.000 0.455 533 R N -0.601 119.902 120.500 0.006 0.000 2.193 533 R HA -0.133 4.203 4.340 -0.006 0.000 0.229 533 R C 1.847 178.064 176.300 -0.140 0.000 1.110 533 R CA 1.234 57.304 56.100 -0.050 0.000 0.988 533 R CB -0.290 29.956 30.300 -0.090 0.000 0.871 533 R HN 0.635 nan 8.270 nan 0.000 0.458 534 H N -1.684 117.351 119.070 -0.059 0.000 2.551 534 H HA 0.165 4.718 4.556 -0.006 0.000 0.271 534 H C 1.469 176.904 175.328 0.179 0.000 0.984 534 H CA 0.627 56.644 56.048 -0.052 0.000 1.164 534 H CB 0.822 30.480 29.762 -0.174 0.000 1.437 534 H HN 0.421 nan 8.280 nan 0.000 0.550 535 G N 0.265 109.226 108.800 0.268 0.000 2.900 535 G HA2 -0.261 3.696 3.960 -0.006 0.000 0.223 535 G HA3 -0.261 3.696 3.960 -0.006 0.000 0.223 535 G C 0.490 175.551 174.900 0.268 0.000 1.293 535 G CA 0.214 45.489 45.100 0.291 0.000 0.792 535 G HN 0.788 nan 8.290 nan 0.000 0.527 536 A N -0.762 122.275 122.820 0.362 0.000 2.520 536 A HA 0.939 5.255 4.320 -0.006 0.000 0.298 536 A C -0.814 177.019 177.584 0.416 0.000 1.051 536 A CA 0.244 52.335 52.037 0.089 0.000 0.690 536 A CB 1.385 19.915 19.000 -0.783 0.000 1.281 536 A HN 2.066 nan 8.150 nan 0.000 0.402 537 Y N -1.134 119.189 120.300 0.038 0.000 2.624 537 Y HA 0.751 5.297 4.550 -0.005 0.000 0.334 537 Y C -0.405 175.493 175.900 -0.003 0.000 1.155 537 Y CA -1.315 56.832 58.100 0.078 0.000 1.046 537 Y CB 0.497 39.033 38.460 0.127 0.000 1.316 537 Y HN 0.459 nan 8.280 nan 0.000 0.457 538 S N 0.934 116.627 115.700 -0.012 0.000 2.528 538 S HA 0.364 4.831 4.470 -0.006 0.000 0.277 538 S C 0.848 175.366 174.600 -0.136 0.000 1.297 538 S CA -0.118 58.017 58.200 -0.107 0.000 1.052 538 S CB 0.945 64.126 63.200 -0.031 0.000 0.917 538 S HN 1.002 nan 8.310 nan 0.000 0.492 539 V N 1.451 121.238 119.914 -0.212 0.000 3.661 539 V HA 0.426 4.543 4.120 -0.006 0.000 0.271 539 V C 0.060 176.112 176.094 -0.069 0.000 1.315 539 V CA -0.010 62.201 62.300 -0.147 0.000 1.072 539 V CB 0.109 31.800 31.823 -0.220 0.000 0.830 539 V HN 0.485 nan 8.190 nan 0.000 0.443 540 V N 1.661 121.532 119.914 -0.072 0.000 2.577 540 V HA 0.565 4.682 4.120 -0.006 0.000 0.294 540 V C -1.571 174.499 176.094 -0.039 0.000 1.052 540 V CA -0.326 61.946 62.300 -0.046 0.000 0.891 540 V CB 1.623 33.415 31.823 -0.051 0.000 1.017 540 V HN 0.375 nan 8.190 nan 0.000 0.436 541 D N 2.397 122.783 120.400 -0.022 0.000 2.350 541 D HA 0.839 5.476 4.640 -0.006 0.000 0.238 541 D C -1.262 175.030 176.300 -0.013 0.000 0.989 541 D CA -0.203 53.786 54.000 -0.018 0.000 0.921 541 D CB 2.754 43.549 40.800 -0.009 0.000 1.297 541 D HN 0.294 nan 8.370 nan 0.000 0.490 542 V N 2.396 122.303 119.914 -0.011 0.000 2.969 542 V HA 0.351 4.468 4.120 -0.006 0.000 0.304 542 V C -2.312 173.779 176.094 -0.005 0.000 1.192 542 V CA -1.258 61.038 62.300 -0.008 0.000 0.962 542 V CB 2.313 34.130 31.823 -0.010 0.000 1.045 542 V HN 0.502 nan 8.190 nan 0.000 0.428 543 P HA 0.226 nan 4.420 nan 0.000 0.272 543 P C -0.606 176.694 177.300 0.001 0.000 1.223 543 P CA 0.175 63.275 63.100 -0.000 0.000 0.784 543 P CB 0.442 32.142 31.700 0.001 0.000 0.923 544 D N -0.409 119.992 120.400 0.002 0.000 2.740 544 D HA -0.163 4.473 4.640 -0.006 0.000 0.231 544 D C 0.353 176.655 176.300 0.004 0.000 1.194 544 D CA 0.812 54.815 54.000 0.004 0.000 0.673 544 D CB -1.418 39.385 40.800 0.004 0.000 0.995 544 D HN 0.247 nan 8.370 nan 0.000 0.411 545 L N -2.409 118.816 121.223 0.003 0.000 2.499 545 L HA 0.139 4.475 4.340 -0.006 0.000 0.281 545 L C 1.363 178.238 176.870 0.007 0.000 1.234 545 L CA 0.490 55.332 54.840 0.003 0.000 0.839 545 L CB 0.064 42.123 42.059 0.001 0.000 1.104 545 L HN 0.059 nan 8.230 nan 0.000 0.500 546 Q N 0.695 120.499 119.800 0.007 0.000 2.245 546 Q HA 0.506 4.842 4.340 -0.006 0.000 0.236 546 Q C -0.697 175.311 176.000 0.015 0.000 0.842 546 Q CA -0.132 55.678 55.803 0.011 0.000 0.945 546 Q CB 1.012 29.754 28.738 0.007 0.000 1.122 546 Q HN 0.645 nan 8.270 nan 0.000 0.506 547 L N -0.334 120.896 121.223 0.012 0.000 2.591 547 L HA 0.464 4.800 4.340 -0.006 0.000 0.257 547 L C -1.927 174.949 176.870 0.009 0.000 0.935 547 L CA -0.793 54.057 54.840 0.016 0.000 0.873 547 L CB 2.227 44.292 42.059 0.010 0.000 1.397 547 L HN -0.280 nan 8.230 nan 0.000 0.414 548 V N 5.267 125.193 119.914 0.020 0.000 2.555 548 V HA 0.589 4.705 4.120 -0.006 0.000 0.302 548 V C -0.301 175.788 176.094 -0.009 0.000 1.038 548 V CA -0.373 61.929 62.300 0.003 0.000 0.887 548 V CB 1.854 33.687 31.823 0.017 0.000 0.991 548 V HN 0.610 nan 8.190 nan 0.000 0.434 549 I N 4.676 125.220 120.570 -0.043 0.000 2.410 549 I HA 0.475 4.641 4.170 -0.006 0.000 0.286 549 I C -0.569 175.489 176.117 -0.098 0.000 1.009 549 I CA -0.716 60.542 61.300 -0.070 0.000 1.111 549 I CB 1.924 39.878 38.000 -0.077 0.000 1.262 549 I HN 0.371 nan 8.210 nan 0.000 0.443 550 V N 6.552 126.397 119.914 -0.115 0.000 2.547 550 V HA 0.943 5.060 4.120 -0.006 0.000 0.299 550 V C -0.233 175.759 176.094 -0.169 0.000 1.040 550 V CA 0.024 62.248 62.300 -0.127 0.000 0.913 550 V CB 1.555 33.333 31.823 -0.075 0.000 0.992 550 V HN 0.895 nan 8.190 nan 0.000 0.449 551 A N 4.500 127.250 122.820 -0.116 0.000 2.588 551 A HA 0.974 5.291 4.320 -0.006 0.000 0.290 551 A C -0.599 176.983 177.584 -0.004 0.000 1.136 551 A CA -0.025 51.955 52.037 -0.095 0.000 0.681 551 A CB 1.930 20.857 19.000 -0.120 0.000 1.282 551 A HN 1.757 nan 8.150 nan 0.000 0.421 552 S N -0.999 114.722 115.700 0.036 0.000 2.651 552 S HA 0.824 5.291 4.470 -0.006 0.000 0.279 552 S C 0.783 175.408 174.600 0.042 0.000 1.148 552 S CA 0.536 58.781 58.200 0.074 0.000 0.837 552 S CB 0.820 64.126 63.200 0.177 0.000 1.138 552 S HN 2.805 nan 8.310 nan 0.000 0.478 553 G N 2.190 111.025 108.800 0.057 0.000 2.632 553 G HA2 -0.378 3.579 3.960 -0.006 0.000 0.322 553 G HA3 -0.378 3.579 3.960 -0.006 0.000 0.322 553 G C 1.145 176.051 174.900 0.010 0.000 1.326 553 G CA 1.728 46.855 45.100 0.045 0.000 0.986 553 G HN 2.197 nan 8.290 nan 0.000 0.541 554 S N -0.186 115.515 115.700 0.000 0.000 2.537 554 S HA 0.031 4.498 4.470 -0.006 0.000 0.240 554 S C 1.604 176.168 174.600 -0.060 0.000 0.981 554 S CA 2.062 60.243 58.200 -0.031 0.000 0.948 554 S CB 0.093 63.277 63.200 -0.026 0.000 0.759 554 S HN 0.614 nan 8.310 nan 0.000 0.531 555 E N 0.607 120.779 120.200 -0.047 0.000 2.479 555 E HA 0.231 4.578 4.350 -0.006 0.000 0.193 555 E C 1.637 178.190 176.600 -0.078 0.000 1.049 555 E CA 0.005 56.366 56.400 -0.064 0.000 0.870 555 E CB -0.029 29.631 29.700 -0.067 0.000 0.944 555 E HN 0.369 nan 8.360 nan 0.000 0.492 556 V N 0.885 120.760 119.914 -0.066 0.000 2.407 556 V HA -0.282 3.835 4.120 -0.006 0.000 0.248 556 V C 2.276 178.323 176.094 -0.077 0.000 1.055 556 V CA 2.042 64.297 62.300 -0.076 0.000 1.049 556 V CB -0.747 31.037 31.823 -0.066 0.000 0.662 556 V HN 0.425 nan 8.190 nan 0.000 0.455 557 S N 0.037 115.693 115.700 -0.073 0.000 2.399 557 S HA -0.175 4.292 4.470 -0.006 0.000 0.231 557 S C 1.880 176.433 174.600 -0.079 0.000 1.022 557 S CA 1.326 59.482 58.200 -0.073 0.000 0.983 557 S CB -0.513 62.641 63.200 -0.077 0.000 0.803 557 S HN 0.363 nan 8.310 nan 0.000 0.480 558 L N 1.950 123.120 121.223 -0.089 0.000 2.056 558 L HA 0.196 4.533 4.340 -0.006 0.000 0.207 558 L C 2.998 179.820 176.870 -0.080 0.000 1.078 558 L CA 1.515 56.303 54.840 -0.085 0.000 0.749 558 L CB -1.361 40.646 42.059 -0.086 0.000 0.901 558 L HN 0.435 nan 8.230 nan 0.000 0.433 559 A N -1.064 121.703 122.820 -0.088 0.000 1.898 559 A HA -0.133 4.183 4.320 -0.006 0.000 0.216 559 A C 2.367 179.906 177.584 -0.075 0.000 1.181 559 A CA 1.819 53.803 52.037 -0.089 0.000 0.620 559 A CB -0.907 18.031 19.000 -0.104 0.000 0.819 559 A HN 0.194 nan 8.150 nan 0.000 0.442 560 V N 0.618 120.489 119.914 -0.072 0.000 2.343 560 V HA -0.248 3.868 4.120 -0.006 0.000 0.247 560 V C 2.127 178.190 176.094 -0.052 0.000 1.051 560 V CA 2.418 64.681 62.300 -0.061 0.000 1.036 560 V CB -0.891 30.897 31.823 -0.058 0.000 0.654 560 V HN 0.495 nan 8.190 nan 0.000 0.451 561 D N 0.296 120.664 120.400 -0.054 0.000 2.178 561 D HA -0.063 4.573 4.640 -0.006 0.000 0.202 561 D C 2.169 178.443 176.300 -0.044 0.000 0.974 561 D CA 1.426 55.398 54.000 -0.047 0.000 0.841 561 D CB -0.319 40.450 40.800 -0.051 0.000 0.953 561 D HN 0.427 nan 8.370 nan 0.000 0.478 562 A N 0.782 123.572 122.820 -0.050 0.000 1.898 562 A HA 0.015 4.332 4.320 -0.006 0.000 0.216 562 A C 2.267 179.827 177.584 -0.041 0.000 1.181 562 A CA 1.908 53.917 52.037 -0.046 0.000 0.620 562 A CB -0.770 18.197 19.000 -0.054 0.000 0.819 562 A HN 0.219 nan 8.150 nan 0.000 0.442 563 A N 0.132 122.926 122.820 -0.043 0.000 1.865 563 A HA -0.204 4.112 4.320 -0.006 0.000 0.217 563 A C 2.112 179.677 177.584 -0.031 0.000 1.191 563 A CA 1.950 53.964 52.037 -0.038 0.000 0.623 563 A CB -0.517 18.458 19.000 -0.042 0.000 0.826 563 A HN 0.541 nan 8.150 nan 0.000 0.444 564 K N -0.356 120.025 120.400 -0.031 0.000 2.063 564 K HA -0.082 4.234 4.320 -0.006 0.000 0.208 564 K C 2.226 178.812 176.600 -0.024 0.000 1.048 564 K CA 1.184 57.455 56.287 -0.026 0.000 0.928 564 K CB -0.352 32.132 32.500 -0.027 0.000 0.713 564 K HN 0.451 nan 8.250 nan 0.000 0.442 565 A N 0.977 123.781 122.820 -0.026 0.000 2.019 565 A HA -0.092 4.225 4.320 -0.006 0.000 0.219 565 A C 1.890 179.461 177.584 -0.022 0.000 1.164 565 A CA 1.182 53.205 52.037 -0.024 0.000 0.644 565 A CB -0.366 18.618 19.000 -0.027 0.000 0.805 565 A HN 0.191 nan 8.150 nan 0.000 0.449 566 L N -0.675 120.535 121.223 -0.023 0.000 2.592 566 L HA 0.018 4.355 4.340 -0.006 0.000 0.227 566 L C 2.280 179.140 176.870 -0.017 0.000 1.127 566 L CA 0.160 54.988 54.840 -0.020 0.000 0.884 566 L CB -0.102 41.944 42.059 -0.021 0.000 1.065 566 L HN 0.273 nan 8.230 nan 0.000 0.457 567 S N 0.838 116.527 115.700 -0.018 0.000 2.390 567 S HA -0.268 4.199 4.470 -0.006 0.000 0.234 567 S C 2.012 176.604 174.600 -0.013 0.000 1.063 567 S CA 1.987 60.178 58.200 -0.015 0.000 1.108 567 S CB -0.573 62.618 63.200 -0.015 0.000 0.975 567 S HN 0.657 nan 8.310 nan 0.000 0.442 568 G N 0.342 109.134 108.800 -0.013 0.000 2.443 568 G HA2 -0.110 3.846 3.960 -0.006 0.000 0.219 568 G HA3 -0.110 3.846 3.960 -0.006 0.000 0.219 568 G C 1.269 176.163 174.900 -0.011 0.000 1.131 568 G CA 0.595 45.688 45.100 -0.011 0.000 0.775 568 G HN 0.555 nan 8.290 nan 0.000 0.547 569 E N -0.804 119.389 120.200 -0.012 0.000 2.057 569 E HA 0.238 4.585 4.350 -0.006 0.000 0.190 569 E C 0.458 177.052 176.600 -0.010 0.000 0.969 569 E CA 0.229 56.622 56.400 -0.012 0.000 0.812 569 E CB 0.159 29.851 29.700 -0.013 0.000 0.777 569 E HN 0.256 nan 8.360 nan 0.000 0.455 570 L N 0.245 121.462 121.223 -0.011 0.000 2.309 570 L HA 0.478 4.815 4.340 -0.006 0.000 0.261 570 L C -0.203 176.662 176.870 -0.009 0.000 1.021 570 L CA -0.962 53.873 54.840 -0.009 0.000 0.823 570 L CB 1.956 44.010 42.059 -0.008 0.000 1.366 570 L HN -0.165 nan 8.230 nan 0.000 0.423 571 R N 1.068 121.564 120.500 -0.006 0.000 2.198 571 R HA 0.562 4.898 4.340 -0.006 0.000 0.339 571 R C -1.271 175.025 176.300 -0.008 0.000 1.020 571 R CA -0.444 55.652 56.100 -0.007 0.000 0.864 571 R CB 1.356 31.654 30.300 -0.004 0.000 1.105 571 R HN 0.270 nan 8.270 nan 0.000 0.463 572 V N 3.771 123.677 119.914 -0.013 0.000 2.604 572 V HA 0.438 4.555 4.120 -0.006 0.000 0.305 572 V C -0.028 176.052 176.094 -0.024 0.000 1.043 572 V CA -0.957 61.333 62.300 -0.017 0.000 0.888 572 V CB 2.068 33.878 31.823 -0.022 0.000 0.995 572 V HN 0.665 nan 8.190 nan 0.000 0.429 573 R N 2.948 123.433 120.500 -0.026 0.000 2.460 573 R HA 0.776 5.112 4.340 -0.006 0.000 0.303 573 R C -1.743 174.524 176.300 -0.054 0.000 0.968 573 R CA -0.403 55.674 56.100 -0.037 0.000 0.889 573 R CB 1.923 32.204 30.300 -0.032 0.000 1.123 573 R HN 0.521 nan 8.270 nan 0.000 0.455 574 V N 5.015 124.885 119.914 -0.073 0.000 2.417 574 V HA 0.342 4.458 4.120 -0.006 0.000 0.291 574 V C -0.447 175.562 176.094 -0.141 0.000 1.024 574 V CA -0.712 61.529 62.300 -0.099 0.000 0.861 574 V CB 1.760 33.524 31.823 -0.098 0.000 0.985 574 V HN 0.534 nan 8.190 nan 0.000 0.436 575 V N 3.972 123.792 119.914 -0.158 0.000 2.417 575 V HA 0.448 4.565 4.120 -0.006 0.000 0.291 575 V C 0.264 176.208 176.094 -0.251 0.000 1.024 575 V CA -0.283 61.887 62.300 -0.217 0.000 0.861 575 V CB 2.019 33.725 31.823 -0.195 0.000 0.985 575 V HN 0.860 nan 8.190 nan 0.000 0.436 576 S N 5.913 121.383 115.700 -0.384 0.000 2.457 576 S HA 0.600 5.066 4.470 -0.006 0.000 0.289 576 S C -0.351 174.122 174.600 -0.213 0.000 1.163 576 S CA -0.565 57.441 58.200 -0.324 0.000 1.078 576 S CB 0.443 63.350 63.200 -0.488 0.000 0.987 576 S HN 0.769 nan 8.310 nan 0.000 0.482 577 M N 8.778 128.325 119.600 -0.089 0.000 2.386 577 M HA 0.393 4.869 4.480 -0.006 0.000 0.245 577 M C -1.999 174.331 176.300 0.049 0.000 0.982 577 M CA -2.132 53.133 55.300 -0.058 0.000 0.860 577 M CB 1.406 33.922 32.600 -0.140 0.000 1.371 577 M HN 0.463 nan 8.290 nan 0.000 0.425 578 P HA 0.001 nan 4.420 nan 0.000 0.221 578 P C 0.199 177.560 177.300 0.101 0.000 1.150 578 P CA 0.679 63.850 63.100 0.119 0.000 0.800 578 P CB 0.243 32.036 31.700 0.154 0.000 0.787 579 C N 0.625 119.984 119.300 0.098 0.000 2.679 579 C HA 0.297 4.754 4.460 -0.006 0.000 0.354 579 C C 1.790 176.840 174.990 0.101 0.000 1.067 579 C CA -0.377 58.694 59.018 0.087 0.000 1.317 579 C CB -0.063 27.729 27.740 0.087 0.000 1.843 579 C HN 0.111 nan 8.230 nan 0.000 0.459 580 Q N 1.288 121.131 119.800 0.071 0.000 2.170 580 Q HA -0.180 4.157 4.340 -0.006 0.000 0.203 580 Q C 1.359 177.472 176.000 0.187 0.000 0.976 580 Q CA 1.874 57.748 55.803 0.119 0.000 0.858 580 Q CB 0.381 29.165 28.738 0.077 0.000 0.907 580 Q HN 0.786 nan 8.270 nan 0.000 0.433 581 E N 0.761 121.030 120.200 0.116 0.000 2.051 581 E HA -0.141 4.205 4.350 -0.006 0.000 0.192 581 E C 1.824 178.484 176.600 0.100 0.000 0.991 581 E CA 0.905 57.361 56.400 0.093 0.000 0.799 581 E CB -0.161 29.574 29.700 0.058 0.000 0.748 581 E HN 0.271 nan 8.360 nan 0.000 0.449 582 L N -0.371 120.918 121.223 0.109 0.000 2.141 582 L HA -0.109 4.228 4.340 -0.006 0.000 0.209 582 L C 2.172 179.127 176.870 0.142 0.000 1.094 582 L CA 0.670 55.563 54.840 0.089 0.000 0.763 582 L CB -0.271 41.833 42.059 0.074 0.000 0.908 582 L HN 0.133 nan 8.230 nan 0.000 0.437 583 F N 1.440 121.432 119.950 0.069 0.000 2.084 583 F HA -0.233 4.291 4.527 -0.005 0.000 0.296 583 F C 2.196 178.074 175.800 0.129 0.000 1.111 583 F CA 1.678 59.750 58.000 0.120 0.000 1.224 583 F CB -0.304 38.749 39.000 0.090 0.000 0.991 583 F HN 0.111 nan 8.300 nan 0.000 0.471 584 D N 0.379 120.836 120.400 0.094 0.000 2.221 584 D HA -0.135 4.502 4.640 -0.006 0.000 0.204 584 D C 2.189 178.444 176.300 -0.075 0.000 0.982 584 D CA 1.280 55.267 54.000 -0.021 0.000 0.857 584 D CB -0.535 40.307 40.800 0.071 0.000 0.934 584 D HN 0.392 nan 8.370 nan 0.000 0.475 585 A N 0.429 123.224 122.820 -0.041 0.000 2.167 585 A HA -0.064 4.253 4.320 -0.006 0.000 0.214 585 A C 1.172 178.707 177.584 -0.081 0.000 1.151 585 A CA 0.337 52.344 52.037 -0.050 0.000 0.735 585 A CB 0.004 18.986 19.000 -0.029 0.000 0.802 585 A HN 0.031 nan 8.150 nan 0.000 0.467 586 Q N 0.828 120.558 119.800 -0.117 0.000 2.394 586 Q HA 0.252 4.589 4.340 -0.006 0.000 0.248 586 Q C -2.329 173.631 176.000 -0.066 0.000 0.992 586 Q CA -2.015 53.724 55.803 -0.107 0.000 0.888 586 Q CB 0.071 28.759 28.738 -0.083 0.000 1.257 586 Q HN 0.304 nan 8.270 nan 0.000 0.462 587 P HA -0.016 nan 4.420 nan 0.000 0.270 587 P C -0.336 176.975 177.300 0.019 0.000 1.223 587 P CA -0.006 63.097 63.100 0.006 0.000 0.785 587 P CB 0.673 32.391 31.700 0.029 0.000 0.923 588 D N 0.219 120.619 120.400 -0.000 0.000 2.133 588 D HA -0.186 4.450 4.640 -0.006 0.000 0.195 588 D C 1.973 178.288 176.300 0.025 0.000 0.997 588 D CA 2.546 56.543 54.000 -0.004 0.000 0.840 588 D CB -0.825 39.973 40.800 -0.004 0.000 0.947 588 D HN 0.546 nan 8.370 nan 0.000 0.452 589 T N -1.965 112.618 114.554 0.049 0.000 2.759 589 T HA -0.274 4.072 4.350 -0.006 0.000 0.269 589 T C 1.972 176.721 174.700 0.082 0.000 1.042 589 T CA 1.029 63.165 62.100 0.060 0.000 1.140 589 T CB -0.721 68.187 68.868 0.067 0.000 0.864 589 T HN 0.284 nan 8.240 nan 0.000 0.455 590 Y N 2.305 122.614 120.300 0.015 0.000 2.220 590 Y HA 0.113 4.660 4.550 -0.006 0.000 0.291 590 Y C 2.692 178.630 175.900 0.063 0.000 1.129 590 Y CA 0.896 59.025 58.100 0.048 0.000 1.161 590 Y CB -0.118 38.382 38.460 0.067 0.000 0.997 590 Y HN 0.031 nan 8.280 nan 0.000 0.522 591 R N -0.280 120.221 120.500 0.001 0.000 2.073 591 R HA -0.199 4.138 4.340 -0.006 0.000 0.234 591 R C 2.268 178.591 176.300 0.038 0.000 1.134 591 R CA 1.430 57.485 56.100 -0.076 0.000 0.952 591 R CB -0.518 29.637 30.300 -0.242 0.000 0.850 591 R HN 0.348 nan 8.270 nan 0.000 0.433 592 Q N 0.730 120.536 119.800 0.010 0.000 2.096 592 Q HA -0.109 4.228 4.340 -0.006 0.000 0.204 592 Q C 1.993 177.993 176.000 -0.000 0.000 0.982 592 Q CA 2.039 57.857 55.803 0.026 0.000 0.850 592 Q CB -0.204 28.547 28.738 0.022 0.000 0.901 592 Q HN 0.363 nan 8.270 nan 0.000 0.422 593 A N -0.667 122.117 122.820 -0.061 0.000 2.015 593 A HA -0.068 4.249 4.320 -0.006 0.000 0.219 593 A C 2.255 179.765 177.584 -0.122 0.000 1.163 593 A CA 1.350 53.329 52.037 -0.097 0.000 0.646 593 A CB -0.181 18.737 19.000 -0.136 0.000 0.806 593 A HN 0.236 nan 8.150 nan 0.000 0.448 594 V N -0.881 118.948 119.914 -0.142 0.000 2.500 594 V HA 0.108 4.224 4.120 -0.006 0.000 0.243 594 V C 0.848 176.943 176.094 0.002 0.000 1.039 594 V CA 0.926 63.175 62.300 -0.086 0.000 1.053 594 V CB -0.269 31.529 31.823 -0.041 0.000 0.695 594 V HN 0.442 nan 8.190 nan 0.000 0.463 595 L N 3.233 124.509 121.223 0.089 0.000 2.502 595 L HA 0.377 4.713 4.340 -0.006 0.000 0.247 595 L C -2.530 174.400 176.870 0.101 0.000 1.180 595 L CA -1.464 53.440 54.840 0.106 0.000 0.956 595 L CB 1.264 43.435 42.059 0.187 0.000 1.282 595 L HN 0.158 nan 8.230 nan 0.000 0.470 596 P HA 0.070 nan 4.420 nan 0.000 0.268 596 P C -0.052 177.294 177.300 0.076 0.000 1.204 596 P CA -0.100 63.035 63.100 0.058 0.000 0.768 596 P CB 1.258 32.980 31.700 0.036 0.000 0.842 597 A N 2.826 125.690 122.820 0.074 0.000 2.498 597 A HA 0.434 4.750 4.320 -0.006 0.000 0.239 597 A C 1.530 179.152 177.584 0.063 0.000 1.068 597 A CA 0.759 52.845 52.037 0.083 0.000 0.766 597 A CB -1.151 17.897 19.000 0.080 0.000 1.003 597 A HN 0.883 nan 8.150 nan 0.000 0.497 598 G N 0.546 109.381 108.800 0.059 0.000 2.241 598 G HA2 -0.171 3.785 3.960 -0.006 0.000 0.244 598 G HA3 -0.171 3.785 3.960 -0.006 0.000 0.244 598 G C 0.183 175.084 174.900 0.001 0.000 0.998 598 G CA 0.128 45.239 45.100 0.018 0.000 0.621 598 G HN 1.499 nan 8.290 nan 0.000 0.519 599 V N 3.808 123.744 119.914 0.036 0.000 2.407 599 V HA 0.497 4.614 4.120 -0.006 0.000 0.278 599 V C -1.356 174.760 176.094 0.036 0.000 1.037 599 V CA -1.516 60.803 62.300 0.032 0.000 0.900 599 V CB 1.542 33.393 31.823 0.048 0.000 0.983 599 V HN 0.253 nan 8.190 nan 0.000 0.459 600 P HA 0.144 nan 4.420 nan 0.000 0.268 600 P C -0.881 176.508 177.300 0.149 0.000 1.205 600 P CA 0.135 63.174 63.100 -0.102 0.000 0.771 600 P CB 1.170 32.857 31.700 -0.021 0.000 0.858 601 V N 4.007 124.174 119.914 0.422 0.000 2.588 601 V HA 0.287 4.404 4.120 -0.006 0.000 0.304 601 V C 0.220 176.426 176.094 0.186 0.000 1.042 601 V CA -0.761 61.696 62.300 0.261 0.000 0.877 601 V CB 2.268 34.227 31.823 0.225 0.000 0.996 601 V HN 0.270 nan 8.190 nan 0.000 0.425 602 V N 3.883 123.836 119.914 0.064 0.000 2.417 602 V HA 0.572 4.689 4.120 -0.006 0.000 0.291 602 V C 0.234 176.257 176.094 -0.119 0.000 1.024 602 V CA -0.389 61.905 62.300 -0.010 0.000 0.861 602 V CB 2.029 33.831 31.823 -0.035 0.000 0.985 602 V HN 1.014 nan 8.190 nan 0.000 0.436 603 S N 4.189 119.754 115.700 -0.225 0.000 2.565 603 S HA 0.846 5.312 4.470 -0.006 0.000 0.290 603 S C -0.749 173.471 174.600 -0.633 0.000 1.150 603 S CA -0.733 57.162 58.200 -0.508 0.000 1.058 603 S CB 1.922 64.570 63.200 -0.921 0.000 1.032 603 S HN 0.448 nan 8.310 nan 0.000 0.510 604 V N 1.779 121.338 119.914 -0.591 0.000 2.482 604 V HA 0.698 4.815 4.120 -0.006 0.000 0.295 604 V C -0.453 175.406 176.094 -0.392 0.000 1.026 604 V CA -0.372 61.630 62.300 -0.496 0.000 0.856 604 V CB 1.000 32.655 31.823 -0.280 0.000 1.001 604 V HN 1.067 nan 8.190 nan 0.000 0.424 605 E N 3.011 122.984 120.200 -0.378 0.000 2.451 605 E HA 0.544 4.890 4.350 -0.006 0.000 0.295 605 E C -0.307 176.191 176.600 -0.171 0.000 0.966 605 E CA -0.536 55.772 56.400 -0.154 0.000 0.808 605 E CB 1.950 31.748 29.700 0.163 0.000 1.242 605 E HN 0.805 nan 8.360 nan 0.000 0.412 606 A N 4.781 127.412 122.820 -0.316 0.000 2.478 606 A HA 0.205 4.522 4.320 -0.006 0.000 0.239 606 A C -0.918 176.512 177.584 -0.258 0.000 1.480 606 A CA 0.487 52.335 52.037 -0.315 0.000 1.308 606 A CB -0.815 17.980 19.000 -0.342 0.000 0.899 606 A HN 0.481 nan 8.150 nan 0.000 0.600 607 Y N -2.227 118.146 120.300 0.122 0.000 2.698 607 Y HA 0.472 5.018 4.550 -0.006 0.000 0.332 607 Y C 0.626 176.616 175.900 0.151 0.000 1.119 607 Y CA -1.594 56.574 58.100 0.113 0.000 1.109 607 Y CB 1.447 40.012 38.460 0.176 0.000 1.308 607 Y HN 0.114 nan 8.280 nan 0.000 0.499 608 V N -0.384 119.678 119.914 0.246 0.000 3.237 608 V HA 0.061 4.177 4.120 -0.006 0.000 0.305 608 V C 0.890 177.053 176.094 0.114 0.000 1.096 608 V CA 0.280 62.657 62.300 0.129 0.000 1.130 608 V CB 1.110 32.952 31.823 0.032 0.000 1.048 608 V HN 0.971 nan 8.190 nan 0.000 0.484 609 S N 1.645 117.351 115.700 0.010 0.000 2.461 609 S HA 0.018 4.485 4.470 -0.006 0.000 0.228 609 S C 0.718 175.352 174.600 0.056 0.000 1.005 609 S CA 0.076 58.174 58.200 -0.171 0.000 0.942 609 S CB -0.712 62.446 63.200 -0.072 0.000 0.776 609 S HN 0.857 nan 8.310 nan 0.000 0.514 610 F N 3.706 123.636 119.950 -0.034 0.000 2.512 610 F HA 0.319 4.842 4.527 -0.006 0.000 0.406 610 F C 1.529 177.283 175.800 -0.077 0.000 0.990 610 F CA 1.184 59.156 58.000 -0.046 0.000 1.137 610 F CB -0.433 38.531 39.000 -0.061 0.000 0.960 610 F HN 0.409 nan 8.300 nan 0.000 0.533 611 G N 4.451 112.924 108.800 -0.544 0.000 2.258 611 G HA2 -0.374 3.583 3.960 -0.006 0.000 0.233 611 G HA3 -0.374 3.583 3.960 -0.006 0.000 0.233 611 G C 0.905 175.602 174.900 -0.338 0.000 1.006 611 G CA 0.222 45.042 45.100 -0.467 0.000 0.620 611 G HN 0.741 nan 8.290 nan 0.000 0.511 612 W N 1.148 122.335 121.300 -0.189 0.000 2.519 612 W HA 0.250 4.907 4.660 -0.005 0.000 0.266 612 W C 2.229 178.684 176.519 -0.106 0.000 1.253 612 W CA 0.965 58.260 57.345 -0.085 0.000 1.274 612 W CB 0.216 29.605 29.460 -0.119 0.000 1.114 612 W HN 0.292 nan 8.180 nan 0.000 0.596 613 E N 1.325 121.539 120.200 0.024 0.000 2.267 613 E HA -0.245 4.101 4.350 -0.006 0.000 0.197 613 E C 1.881 178.395 176.600 -0.143 0.000 0.998 613 E CA 1.399 57.768 56.400 -0.052 0.000 0.830 613 E CB -0.063 29.576 29.700 -0.102 0.000 0.751 613 E HN 0.511 nan 8.360 nan 0.000 0.491 614 K N -1.188 119.048 120.400 -0.273 0.000 2.365 614 K HA -0.134 4.182 4.320 -0.006 0.000 0.199 614 K C 0.977 177.303 176.600 -0.456 0.000 1.045 614 K CA 1.136 57.155 56.287 -0.447 0.000 0.962 614 K CB -0.017 32.081 32.500 -0.671 0.000 0.759 614 K HN 0.124 nan 8.250 nan 0.000 0.469 615 Y N 1.113 121.431 120.300 0.031 0.000 2.736 615 Y HA 0.145 4.691 4.550 -0.006 0.000 0.272 615 Y C 1.209 177.116 175.900 0.011 0.000 1.118 615 Y CA -0.194 57.955 58.100 0.081 0.000 1.248 615 Y CB 0.206 38.796 38.460 0.217 0.000 1.437 615 Y HN 0.084 nan 8.280 nan 0.000 0.481 616 S N -0.700 115.145 115.700 0.242 0.000 2.690 616 S HA 0.298 4.765 4.470 -0.006 0.000 0.291 616 S C -0.300 174.243 174.600 -0.095 0.000 1.138 616 S CA -0.460 57.789 58.200 0.081 0.000 1.013 616 S CB 1.404 64.705 63.200 0.169 0.000 1.053 616 S HN 0.344 nan 8.310 nan 0.000 0.539 617 H N -0.025 119.104 119.070 0.099 0.000 2.648 617 H HA 0.654 5.206 4.556 -0.006 0.000 0.265 617 H C 0.475 175.868 175.328 0.108 0.000 0.961 617 H CA 0.697 56.794 56.048 0.083 0.000 1.185 617 H CB 0.596 30.394 29.762 0.060 0.000 1.449 617 H HN 0.870 nan 8.280 nan 0.000 0.523 618 A N 0.123 123.059 122.820 0.194 0.000 2.589 618 A HA 0.429 4.745 4.320 -0.006 0.000 0.296 618 A C -1.754 175.890 177.584 0.100 0.000 1.062 618 A CA -0.653 51.468 52.037 0.141 0.000 0.686 618 A CB 1.408 20.479 19.000 0.119 0.000 1.282 618 A HN 0.369 nan 8.150 nan 0.000 0.404 619 H N 1.260 120.306 119.070 -0.040 0.000 2.667 619 H HA 0.586 5.138 4.556 -0.006 0.000 0.353 619 H C -1.857 173.403 175.328 -0.113 0.000 1.072 619 H CA -0.395 55.569 56.048 -0.140 0.000 1.214 619 H CB 1.919 31.602 29.762 -0.132 0.000 1.600 619 H HN 0.409 nan 8.280 nan 0.000 0.527 620 V N 5.724 125.250 119.914 -0.646 0.000 2.294 620 V HA 0.511 4.627 4.120 -0.006 0.000 0.272 620 V C 0.570 176.314 176.094 -0.584 0.000 1.027 620 V CA 0.346 62.394 62.300 -0.419 0.000 0.823 620 V CB 0.674 32.331 31.823 -0.277 0.000 1.030 620 V HN 0.958 nan 8.190 nan 0.000 0.457 621 G N 4.667 113.296 108.800 -0.285 0.000 2.604 621 G HA2 0.458 4.415 3.960 -0.006 0.000 0.242 621 G HA3 0.458 4.415 3.960 -0.006 0.000 0.242 621 G C -1.118 173.779 174.900 -0.006 0.000 1.208 621 G CA -0.759 44.268 45.100 -0.122 0.000 0.912 621 G HN 0.238 nan 8.290 nan 0.000 0.502 622 M N 1.588 121.201 119.600 0.021 0.000 2.314 622 M HA 0.389 4.865 4.480 -0.006 0.000 0.342 622 M C 1.053 177.332 176.300 -0.035 0.000 1.171 622 M CA -0.289 54.954 55.300 -0.095 0.000 1.098 622 M CB 1.217 33.709 32.600 -0.182 0.000 1.559 622 M HN 0.661 nan 8.290 nan 0.000 0.459 623 S N -0.576 115.075 115.700 -0.082 0.000 2.603 623 S HA 0.520 4.986 4.470 -0.006 0.000 0.232 623 S C 0.581 175.108 174.600 -0.120 0.000 1.016 623 S CA 0.091 58.263 58.200 -0.047 0.000 0.976 623 S CB 0.503 63.708 63.200 0.008 0.000 0.921 623 S HN 0.904 nan 8.310 nan 0.000 0.516 624 G N 0.448 109.120 108.800 -0.213 0.000 2.578 624 G HA2 0.536 4.492 3.960 -0.006 0.000 0.302 624 G HA3 0.536 4.492 3.960 -0.006 0.000 0.302 624 G C -1.421 173.241 174.900 -0.396 0.000 1.243 624 G CA -0.881 44.028 45.100 -0.319 0.000 0.843 624 G HN 0.116 nan 8.290 nan 0.000 0.486 625 F N 1.021 120.912 119.950 -0.098 0.000 2.403 625 F HA 0.550 5.073 4.527 -0.007 0.000 0.320 625 F C 1.546 177.236 175.800 -0.184 0.000 1.176 625 F CA 0.771 58.706 58.000 -0.107 0.000 1.206 625 F CB 0.665 39.646 39.000 -0.032 0.000 1.235 625 F HN 0.603 nan 8.300 nan 0.000 0.565 626 G N -0.426 108.420 108.800 0.076 0.000 2.514 626 G HA2 0.601 4.558 3.960 -0.006 0.000 0.245 626 G HA3 0.601 4.558 3.960 -0.006 0.000 0.245 626 G C -1.200 173.870 174.900 0.284 0.000 1.488 626 G CA 0.104 45.213 45.100 0.016 0.000 1.063 626 G HN 0.934 nan 8.290 nan 0.000 0.557 627 A N -2.145 120.864 122.820 0.316 0.000 2.599 627 A HA 0.643 4.959 4.320 -0.006 0.000 0.290 627 A C -0.534 177.134 177.584 0.140 0.000 1.101 627 A CA -0.056 52.118 52.037 0.229 0.000 0.674 627 A CB 1.015 20.160 19.000 0.242 0.000 1.277 627 A HN 1.201 nan 8.150 nan 0.000 0.419 628 S N -0.080 115.671 115.700 0.085 0.000 2.415 628 S HA 0.679 5.146 4.470 -0.006 0.000 0.313 628 S C -0.194 174.427 174.600 0.035 0.000 1.067 628 S CA 0.504 58.734 58.200 0.050 0.000 1.099 628 S CB -0.450 62.770 63.200 0.033 0.000 0.991 628 S HN 2.270 nan 8.310 nan 0.000 0.491 629 A N 5.919 128.760 122.820 0.035 0.000 2.567 629 A HA 0.697 5.014 4.320 -0.006 0.000 0.291 629 A C -3.289 174.314 177.584 0.031 0.000 1.048 629 A CA -1.244 50.806 52.037 0.021 0.000 0.661 629 A CB 0.377 19.379 19.000 0.004 0.000 1.288 629 A HN 0.532 nan 8.150 nan 0.000 0.424 630 P HA 0.303 nan 4.420 nan 0.000 0.267 630 P C 1.093 178.430 177.300 0.063 0.000 1.200 630 P CA 0.880 64.001 63.100 0.035 0.000 0.772 630 P CB 0.772 32.487 31.700 0.024 0.000 0.855 631 A N 3.743 126.613 122.820 0.083 0.000 1.884 631 A HA -0.205 4.112 4.320 -0.006 0.000 0.219 631 A C 2.387 180.106 177.584 0.224 0.000 1.197 631 A CA 2.544 54.679 52.037 0.163 0.000 0.637 631 A CB -2.038 17.054 19.000 0.154 0.000 0.827 631 A HN 0.647 nan 8.150 nan 0.000 0.450 632 G N -0.822 108.052 108.800 0.123 0.000 2.469 632 G HA2 -0.191 3.766 3.960 -0.006 0.000 0.219 632 G HA3 -0.191 3.766 3.960 -0.006 0.000 0.219 632 G C 1.515 176.475 174.900 0.100 0.000 1.150 632 G CA 1.445 46.600 45.100 0.093 0.000 0.763 632 G HN 0.397 nan 8.290 nan 0.000 0.561 633 V N 0.844 120.795 119.914 0.060 0.000 2.358 633 V HA -0.097 4.020 4.120 -0.006 0.000 0.246 633 V C 2.906 178.993 176.094 -0.010 0.000 1.047 633 V CA 1.384 63.692 62.300 0.013 0.000 1.035 633 V CB -0.365 31.453 31.823 -0.009 0.000 0.658 633 V HN 0.356 nan 8.190 nan 0.000 0.452 634 L N -1.633 119.611 121.223 0.035 0.000 2.046 634 L HA -0.190 4.146 4.340 -0.006 0.000 0.208 634 L C 2.518 179.412 176.870 0.040 0.000 1.077 634 L CA 1.818 56.660 54.840 0.003 0.000 0.747 634 L CB -0.684 41.453 42.059 0.131 0.000 0.896 634 L HN 0.295 nan 8.230 nan 0.000 0.432 635 Y N 0.579 120.918 120.300 0.064 0.000 2.224 635 Y HA -0.236 4.309 4.550 -0.008 0.000 0.289 635 Y C 2.629 178.539 175.900 0.017 0.000 1.146 635 Y CA 1.447 59.586 58.100 0.065 0.000 1.182 635 Y CB -0.164 38.307 38.460 0.019 0.000 0.983 635 Y HN 0.080 nan 8.280 nan 0.000 0.524 636 K N 0.038 120.504 120.400 0.109 0.000 2.031 636 K HA -0.174 4.142 4.320 -0.006 0.000 0.205 636 K C 2.111 178.677 176.600 -0.058 0.000 1.049 636 K CA 1.257 57.559 56.287 0.025 0.000 0.939 636 K CB -0.166 32.334 32.500 -0.000 0.000 0.717 636 K HN 0.146 nan 8.250 nan 0.000 0.438 637 K N 0.651 120.946 120.400 -0.175 0.000 2.044 637 K HA -0.157 4.159 4.320 -0.006 0.000 0.210 637 K C 1.372 177.737 176.600 -0.393 0.000 1.049 637 K CA 1.580 57.644 56.287 -0.372 0.000 0.927 637 K CB -0.078 32.031 32.500 -0.653 0.000 0.713 637 K HN 0.004 nan 8.250 nan 0.000 0.443 638 F N 0.088 120.019 119.950 -0.031 0.000 2.773 638 F HA 0.254 4.782 4.527 0.003 0.000 0.304 638 F C 1.370 177.149 175.800 -0.036 0.000 1.129 638 F CA 0.526 58.500 58.000 -0.044 0.000 1.378 638 F CB 0.350 39.299 39.000 -0.086 0.000 1.095 638 F HN 0.334 nan 8.300 nan 0.000 0.565 639 G N 1.100 109.955 108.800 0.091 0.000 2.160 639 G HA2 -0.319 3.637 3.960 -0.006 0.000 0.251 639 G HA3 -0.319 3.637 3.960 -0.006 0.000 0.251 639 G C 0.297 175.230 174.900 0.055 0.000 1.008 639 G CA -0.006 45.129 45.100 0.058 0.000 0.724 639 G HN 0.391 nan 8.290 nan 0.000 0.514 640 I N 2.602 123.229 120.570 0.095 0.000 2.243 640 I HA 0.366 4.532 4.170 -0.006 0.000 0.289 640 I C 0.871 177.078 176.117 0.151 0.000 1.140 640 I CA 0.445 61.804 61.300 0.100 0.000 1.289 640 I CB 0.025 38.091 38.000 0.110 0.000 1.498 640 I HN 0.314 nan 8.210 nan 0.000 0.561 641 T N -0.735 113.852 114.554 0.056 0.000 2.883 641 T HA 0.363 4.709 4.350 -0.006 0.000 0.296 641 T C 0.943 175.634 174.700 -0.015 0.000 1.117 641 T CA -0.722 61.393 62.100 0.025 0.000 1.006 641 T CB 2.095 70.976 68.868 0.021 0.000 1.191 641 T HN -0.091 nan 8.240 nan 0.000 0.508 642 V N 1.766 121.662 119.914 -0.029 0.000 2.332 642 V HA -0.173 3.943 4.120 -0.006 0.000 0.248 642 V C 2.890 178.964 176.094 -0.033 0.000 1.055 642 V CA 2.290 64.566 62.300 -0.039 0.000 1.038 642 V CB -0.932 30.866 31.823 -0.042 0.000 0.651 642 V HN 0.968 nan 8.190 nan 0.000 0.450 643 E N 0.513 120.698 120.200 -0.025 0.000 2.110 643 E HA -0.284 4.063 4.350 -0.006 0.000 0.193 643 E C 2.014 178.600 176.600 -0.022 0.000 0.988 643 E CA 1.501 57.888 56.400 -0.022 0.000 0.804 643 E CB -0.358 29.332 29.700 -0.017 0.000 0.745 643 E HN 0.618 nan 8.360 nan 0.000 0.458 644 E N 1.168 121.356 120.200 -0.021 0.000 2.106 644 E HA -0.073 4.274 4.350 -0.006 0.000 0.192 644 E C 2.130 178.708 176.600 -0.037 0.000 0.984 644 E CA 0.682 57.068 56.400 -0.023 0.000 0.806 644 E CB -0.054 29.636 29.700 -0.017 0.000 0.750 644 E HN 0.116 nan 8.360 nan 0.000 0.458 645 V N -0.439 119.447 119.914 -0.047 0.000 2.307 645 V HA -0.215 3.902 4.120 -0.006 0.000 0.245 645 V C 2.338 178.405 176.094 -0.046 0.000 1.045 645 V CA 1.453 63.716 62.300 -0.061 0.000 1.024 645 V CB -0.453 31.326 31.823 -0.074 0.000 0.651 645 V HN 0.147 nan 8.190 nan 0.000 0.449 646 V N 0.065 119.956 119.914 -0.038 0.000 2.287 646 V HA -0.307 3.810 4.120 -0.006 0.000 0.248 646 V C 2.609 178.687 176.094 -0.025 0.000 1.053 646 V CA 2.292 64.574 62.300 -0.031 0.000 1.027 646 V CB -0.803 31.003 31.823 -0.028 0.000 0.646 646 V HN 0.474 nan 8.190 nan 0.000 0.447 647 R N -0.457 120.029 120.500 -0.024 0.000 2.096 647 R HA -0.141 4.196 4.340 -0.006 0.000 0.235 647 R C 2.363 178.653 176.300 -0.018 0.000 1.127 647 R CA 1.929 58.017 56.100 -0.020 0.000 0.968 647 R CB -0.634 29.656 30.300 -0.017 0.000 0.861 647 R HN 0.522 nan 8.270 nan 0.000 0.440 648 T N -0.413 114.129 114.554 -0.020 0.000 2.812 648 T HA -0.052 4.295 4.350 -0.006 0.000 0.264 648 T C 1.891 176.588 174.700 -0.005 0.000 1.042 648 T CA 1.294 63.387 62.100 -0.012 0.000 1.140 648 T CB -0.346 68.509 68.868 -0.021 0.000 0.870 648 T HN 0.507 nan 8.240 nan 0.000 0.445 649 G N 1.464 110.257 108.800 -0.013 0.000 2.422 649 G HA2 -0.210 3.746 3.960 -0.006 0.000 0.218 649 G HA3 -0.210 3.746 3.960 -0.006 0.000 0.218 649 G C 1.728 176.626 174.900 -0.004 0.000 1.146 649 G CA 0.367 45.464 45.100 -0.005 0.000 0.769 649 G HN 0.392 nan 8.290 nan 0.000 0.547 650 R N 0.325 120.817 120.500 -0.013 0.000 2.070 650 R HA -0.047 4.289 4.340 -0.006 0.000 0.233 650 R C 2.619 178.906 176.300 -0.023 0.000 1.137 650 R CA 1.596 57.686 56.100 -0.017 0.000 0.945 650 R CB -0.301 29.988 30.300 -0.020 0.000 0.845 650 R HN 0.460 nan 8.270 nan 0.000 0.430 651 E N 0.565 120.751 120.200 -0.023 0.000 2.110 651 E HA -0.177 4.169 4.350 -0.006 0.000 0.193 651 E C 2.061 178.632 176.600 -0.049 0.000 0.988 651 E CA 0.879 57.256 56.400 -0.039 0.000 0.804 651 E CB -0.059 29.624 29.700 -0.030 0.000 0.745 651 E HN 0.284 nan 8.360 nan 0.000 0.458 652 L N 0.420 121.640 121.223 -0.005 0.000 2.027 652 L HA -0.148 4.188 4.340 -0.006 0.000 0.206 652 L C 2.518 179.407 176.870 0.032 0.000 1.074 652 L CA 0.998 55.864 54.840 0.042 0.000 0.745 652 L CB -0.360 41.757 42.059 0.096 0.000 0.898 652 L HN 0.176 nan 8.230 nan 0.000 0.433 653 A N -0.358 122.471 122.820 0.016 0.000 1.972 653 A HA -0.252 4.064 4.320 -0.006 0.000 0.219 653 A C 2.349 179.921 177.584 -0.019 0.000 1.169 653 A CA 1.824 53.869 52.037 0.013 0.000 0.635 653 A CB -0.383 18.619 19.000 0.004 0.000 0.810 653 A HN 0.335 nan 8.150 nan 0.000 0.446 654 K N -0.481 119.888 120.400 -0.052 0.000 2.062 654 K HA -0.102 4.214 4.320 -0.006 0.000 0.205 654 K C 2.304 178.815 176.600 -0.148 0.000 1.051 654 K CA 1.273 57.513 56.287 -0.079 0.000 0.941 654 K CB -0.162 32.293 32.500 -0.075 0.000 0.719 654 K HN 0.444 nan 8.250 nan 0.000 0.440 655 R N -0.612 119.734 120.500 -0.257 0.000 2.119 655 R HA -0.014 4.323 4.340 -0.006 0.000 0.222 655 R C -0.101 175.784 176.300 -0.691 0.000 1.088 655 R CA 0.876 56.653 56.100 -0.538 0.000 0.984 655 R CB 0.184 30.007 30.300 -0.795 0.000 0.884 655 R HN 0.067 nan 8.270 nan 0.000 0.447 656 F N 2.544 122.458 119.950 -0.060 0.000 2.531 656 F HA 0.434 4.958 4.527 -0.006 0.000 0.333 656 F C -2.168 173.595 175.800 -0.062 0.000 1.292 656 F CA -2.473 55.482 58.000 -0.075 0.000 1.184 656 F CB 1.460 40.376 39.000 -0.140 0.000 1.426 656 F HN -0.034 nan 8.300 nan 0.000 0.559 657 P HA 0.110 nan 4.420 nan 0.000 0.276 657 P C -0.699 176.632 177.300 0.051 0.000 1.244 657 P CA -0.299 62.828 63.100 0.046 0.000 0.801 657 P CB 0.779 32.487 31.700 0.013 0.000 1.006 658 D N 0.328 120.748 120.400 0.034 0.000 3.306 658 D HA -0.125 4.512 4.640 -0.006 0.000 0.194 658 D C 1.084 177.402 176.300 0.031 0.000 1.231 658 D CA 1.274 55.290 54.000 0.027 0.000 0.840 658 D CB -2.180 38.632 40.800 0.019 0.000 0.851 658 D HN 0.858 nan 8.370 nan 0.000 0.406 659 G N 1.508 110.325 108.800 0.028 0.000 2.168 659 G HA2 -0.353 3.604 3.960 -0.006 0.000 0.263 659 G HA3 -0.353 3.604 3.960 -0.006 0.000 0.263 659 G C 0.938 175.851 174.900 0.022 0.000 0.977 659 G CA 1.012 46.126 45.100 0.023 0.000 0.659 659 G HN 1.358 nan 8.290 nan 0.000 0.533 660 T N -2.272 112.308 114.554 0.044 0.000 3.086 660 T HA 0.652 4.999 4.350 -0.006 0.000 0.250 660 T C 1.279 175.963 174.700 -0.027 0.000 1.074 660 T CA 1.192 63.328 62.100 0.061 0.000 0.988 660 T CB 0.540 69.494 68.868 0.143 0.000 0.988 660 T HN 1.623 nan 8.240 nan 0.000 0.530 661 A N 2.974 125.703 122.820 -0.152 0.000 2.511 661 A HA 0.477 4.794 4.320 -0.006 0.000 0.242 661 A C -2.256 175.067 177.584 -0.435 0.000 1.069 661 A CA -1.168 50.513 52.037 -0.594 0.000 0.763 661 A CB -0.347 18.332 19.000 -0.535 0.000 1.001 661 A HN 0.262 nan 8.150 nan 0.000 0.498 662 P HA 0.105 nan 4.420 nan 0.000 0.264 662 P C -0.536 176.815 177.300 0.085 0.000 1.183 662 P CA 0.301 63.302 63.100 -0.165 0.000 0.763 662 P CB 0.288 31.902 31.700 -0.143 0.000 0.807 663 L N 3.429 124.698 121.223 0.078 0.000 2.426 663 L HA 0.170 4.506 4.340 -0.006 0.000 0.271 663 L C 1.155 178.151 176.870 0.209 0.000 1.169 663 L CA -0.266 54.671 54.840 0.162 0.000 0.836 663 L CB 0.197 42.371 42.059 0.193 0.000 1.112 663 L HN 0.241 nan 8.230 nan 0.000 0.465 664 K N 2.056 122.541 120.400 0.142 0.000 2.098 664 K HA 0.170 4.487 4.320 -0.006 0.000 0.257 664 K C 0.684 177.242 176.600 -0.070 0.000 0.999 664 K CA -0.509 55.795 56.287 0.029 0.000 0.924 664 K CB 0.778 33.250 32.500 -0.046 0.000 1.028 664 K HN 0.376 nan 8.250 nan 0.000 0.466 665 N N 0.657 119.208 118.700 -0.249 0.000 2.094 665 N HA -0.196 4.540 4.740 -0.006 0.000 0.191 665 N C 1.487 176.503 175.510 -0.824 0.000 1.023 665 N CA 1.946 54.553 53.050 -0.738 0.000 0.857 665 N CB -0.363 37.886 38.487 -0.396 0.000 1.013 665 N HN 0.657 nan 8.380 nan 0.000 0.426 666 S N -0.203 115.252 115.700 -0.409 0.000 2.419 666 S HA -0.153 4.314 4.470 -0.006 0.000 0.235 666 S C 2.015 176.479 174.600 -0.227 0.000 1.019 666 S CA 1.378 59.412 58.200 -0.277 0.000 0.982 666 S CB -0.650 62.466 63.200 -0.139 0.000 0.789 666 S HN 0.468 nan 8.310 nan 0.000 0.490 667 S N 2.129 117.717 115.700 -0.187 0.000 2.387 667 S HA -0.003 4.463 4.470 -0.006 0.000 0.226 667 S C 1.463 176.082 174.600 0.031 0.000 1.026 667 S CA 0.702 58.888 58.200 -0.024 0.000 0.972 667 S CB -0.957 62.301 63.200 0.097 0.000 0.814 667 S HN 0.846 nan 8.310 nan 0.000 0.477 668 F N 1.113 121.059 119.950 -0.007 0.000 2.653 668 F HA 0.619 5.143 4.527 -0.006 0.000 0.304 668 F C 0.723 176.516 175.800 -0.012 0.000 1.092 668 F CA -0.865 57.130 58.000 -0.008 0.000 1.279 668 F CB -0.499 38.496 39.000 -0.008 0.000 1.044 668 F HN 0.173 nan 8.300 nan 0.000 0.564 669 S N 0.000 115.516 115.700 -0.306 0.000 2.498 669 S HA 0.000 4.467 4.470 -0.006 0.000 0.327 669 S CA 0.000 58.075 58.200 -0.209 0.000 1.107 669 S CB 0.000 63.021 63.200 -0.299 0.000 0.593 669 S HN 0.000 nan 8.310 nan 0.000 0.517