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 1hm5_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALTRNPQFQ KLQQWHREHG SELNLRHLFD TDKERFNHFS LTLNTNHGHI DATA SEQUENCE LLDYSKNLVT EEVMHMLLDL AKSRGVEAAR ESMFNGEKIN STEDRAVLHV DATA SEQUENCE ALRNRSNTPI VVDGKDVMPE VNKVLDKMKA FCQRVRSGDW KGYTGKTITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSSGGPRV WFVSNIDGTH IAKTLACLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AKTAKDWFLL SAKDPSTVAK HFVALSTNTA DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA MLGIWYINCF GCETQAVLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGARV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKS TEEARKELQA DATA SEQUENCE AGKSPEDLMK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GVVWDINSFD QWGVELGKQL AKKIEPELDG SSPVTSHDSS TNGLINFIKQ DATA SEQUENCE QREAKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.618 177.584 0.057 0.000 1.274 1 A CA 0.000 52.066 52.037 0.049 0.000 0.836 1 A CB 0.000 19.036 19.000 0.060 0.000 0.831 2 A N 1.311 124.159 122.820 0.048 0.000 1.841 2 A HA 0.070 4.476 4.320 0.143 0.000 0.216 2 A C 2.011 179.582 177.584 -0.023 0.000 1.199 2 A CA 2.232 54.281 52.037 0.021 0.000 0.621 2 A CB -0.810 18.201 19.000 0.017 0.000 0.835 2 A HN 1.951 nan 8.150 nan 0.000 0.445 3 L N -0.060 121.108 121.223 -0.092 0.000 2.010 3 L HA -0.221 4.205 4.340 0.143 0.000 0.219 3 L C 2.475 179.131 176.870 -0.357 0.000 1.077 3 L CA 2.973 57.610 54.840 -0.339 0.000 0.773 3 L CB -1.224 40.426 42.059 -0.681 0.000 0.892 3 L HN 0.431 nan 8.230 nan 0.000 0.436 4 T N 0.005 114.454 114.554 -0.174 0.000 2.881 4 T HA -0.182 4.254 4.350 0.143 0.000 0.270 4 T C 1.641 176.442 174.700 0.168 0.000 1.068 4 T CA 1.546 63.700 62.100 0.089 0.000 1.131 4 T CB -0.335 68.628 68.868 0.159 0.000 0.871 4 T HN 0.587 nan 8.240 nan 0.000 0.479 5 R N 1.181 121.735 120.500 0.090 0.000 2.300 5 R HA 0.177 4.603 4.340 0.143 0.000 0.199 5 R C 0.796 177.150 176.300 0.091 0.000 0.920 5 R CA -0.124 56.029 56.100 0.089 0.000 1.046 5 R CB -0.132 30.203 30.300 0.058 0.000 0.984 5 R HN 0.132 nan 8.270 nan 0.000 0.493 6 N N 2.155 120.915 118.700 0.100 0.000 2.475 6 N HA 0.044 4.870 4.740 0.143 0.000 0.267 6 N C -1.835 173.762 175.510 0.146 0.000 1.169 6 N CA -1.559 51.551 53.050 0.101 0.000 0.947 6 N CB 1.587 40.120 38.487 0.076 0.000 1.061 6 N HN -0.122 nan 8.380 nan 0.000 0.466 7 P HA -0.121 nan 4.420 nan 0.000 0.215 7 P C 0.875 178.224 177.300 0.081 0.000 1.157 7 P CA 1.450 64.596 63.100 0.076 0.000 0.868 7 P CB 0.371 32.098 31.700 0.045 0.000 0.788 8 Q N -1.853 117.996 119.800 0.081 0.000 2.124 8 Q HA -0.141 4.285 4.340 0.143 0.000 0.202 8 Q C 1.940 178.014 176.000 0.123 0.000 0.977 8 Q CA 1.334 57.179 55.803 0.069 0.000 0.850 8 Q CB -1.389 27.378 28.738 0.049 0.000 0.901 8 Q HN 0.233 nan 8.270 nan 0.000 0.429 9 F N 1.227 121.189 119.950 0.019 0.000 2.102 9 F HA -0.220 4.392 4.527 0.142 0.000 0.298 9 F C 1.943 177.779 175.800 0.060 0.000 1.105 9 F CA 1.681 59.704 58.000 0.037 0.000 1.239 9 F CB -0.234 38.779 39.000 0.022 0.000 0.991 9 F HN 0.092 nan 8.300 nan 0.000 0.474 10 Q N 0.062 119.899 119.800 0.062 0.000 2.135 10 Q HA -0.267 4.159 4.340 0.143 0.000 0.204 10 Q C 2.281 178.258 176.000 -0.039 0.000 0.981 10 Q CA 1.943 57.726 55.803 -0.034 0.000 0.856 10 Q CB -0.360 28.415 28.738 0.062 0.000 0.902 10 Q HN 0.454 nan 8.270 nan 0.000 0.425 11 K N 0.945 121.352 120.400 0.011 0.000 2.057 11 K HA -0.127 4.279 4.320 0.143 0.000 0.207 11 K C 2.048 178.694 176.600 0.078 0.000 1.049 11 K CA 0.726 57.039 56.287 0.043 0.000 0.931 11 K CB -0.068 32.450 32.500 0.030 0.000 0.714 11 K HN 0.168 nan 8.250 nan 0.000 0.440 12 L N 0.985 122.224 121.223 0.028 0.000 1.994 12 L HA -0.256 4.170 4.340 0.143 0.000 0.208 12 L C 2.612 179.576 176.870 0.157 0.000 1.071 12 L CA 1.651 56.552 54.840 0.101 0.000 0.745 12 L CB -0.375 41.721 42.059 0.060 0.000 0.892 12 L HN 0.441 nan 8.230 nan 0.000 0.431 13 Q N -0.835 118.893 119.800 -0.120 0.000 2.061 13 Q HA -0.328 4.098 4.340 0.143 0.000 0.204 13 Q C 2.150 178.162 176.000 0.021 0.000 0.984 13 Q CA 2.112 57.825 55.803 -0.151 0.000 0.846 13 Q CB -0.152 28.371 28.738 -0.358 0.000 0.902 13 Q HN 0.509 nan 8.270 nan 0.000 0.421 14 Q N -0.426 119.392 119.800 0.030 0.000 2.061 14 Q HA -0.234 4.192 4.340 0.143 0.000 0.204 14 Q C 1.762 177.820 176.000 0.096 0.000 0.984 14 Q CA 1.732 57.562 55.803 0.045 0.000 0.846 14 Q CB -0.256 28.511 28.738 0.048 0.000 0.902 14 Q HN 0.491 nan 8.270 nan 0.000 0.421 15 W N 0.359 121.684 121.300 0.042 0.000 2.358 15 W HA -0.224 4.524 4.660 0.147 0.000 0.303 15 W C 2.333 178.928 176.519 0.126 0.000 1.208 15 W CA 1.869 59.280 57.345 0.111 0.000 1.274 15 W CB -0.344 29.221 29.460 0.174 0.000 1.138 15 W HN 0.365 nan 8.180 nan 0.000 0.515 16 H N 0.194 119.508 119.070 0.407 0.000 2.389 16 H HA -0.097 4.544 4.556 0.142 0.000 0.299 16 H C 2.284 177.529 175.328 -0.139 0.000 1.081 16 H CA 1.519 57.676 56.048 0.182 0.000 1.345 16 H CB -0.115 29.628 29.762 -0.032 0.000 1.393 16 H HN -0.020 nan 8.280 nan 0.000 0.520 17 R N 1.226 121.735 120.500 0.015 0.000 2.120 17 R HA -0.100 4.326 4.340 0.143 0.000 0.234 17 R C 1.806 177.961 176.300 -0.242 0.000 1.123 17 R CA 1.472 57.524 56.100 -0.079 0.000 0.975 17 R CB -0.029 30.235 30.300 -0.060 0.000 0.866 17 R HN 0.610 nan 8.270 nan 0.000 0.446 18 E N -1.891 118.068 120.200 -0.402 0.000 2.216 18 E HA -0.024 4.412 4.350 0.143 0.000 0.192 18 E C 1.014 177.082 176.600 -0.886 0.000 0.973 18 E CA 0.475 56.480 56.400 -0.658 0.000 0.851 18 E CB 0.240 29.431 29.700 -0.848 0.000 0.804 18 E HN 0.463 nan 8.360 nan 0.000 0.477 19 H N -1.456 117.226 119.070 -0.648 0.000 3.360 19 H HA 0.217 4.859 4.556 0.143 0.000 0.262 19 H C 1.836 176.868 175.328 -0.493 0.000 1.149 19 H CA 0.584 56.209 56.048 -0.705 0.000 1.181 19 H CB 0.433 29.410 29.762 -1.308 0.000 1.564 19 H HN 0.156 nan 8.280 nan 0.000 0.565 20 G N 1.843 110.360 108.800 -0.472 0.000 2.631 20 G HA2 -0.352 3.694 3.960 0.143 0.000 0.219 20 G HA3 -0.352 3.694 3.960 0.143 0.000 0.219 20 G C 1.817 176.609 174.900 -0.180 0.000 1.214 20 G CA 2.068 46.802 45.100 -0.609 0.000 0.785 20 G HN 0.482 nan 8.290 nan 0.000 0.596 21 S N 0.757 116.349 115.700 -0.180 0.000 2.595 21 S HA -0.016 4.540 4.470 0.143 0.000 0.235 21 S C 1.846 176.480 174.600 0.055 0.000 0.974 21 S CA 1.547 59.761 58.200 0.022 0.000 0.942 21 S CB 0.056 63.253 63.200 -0.007 0.000 0.766 21 S HN 0.619 nan 8.310 nan 0.000 0.536 22 E N 1.688 121.908 120.200 0.033 0.000 2.385 22 E HA 0.068 4.504 4.350 0.143 0.000 0.194 22 E C 0.294 176.964 176.600 0.117 0.000 1.013 22 E CA -0.123 56.307 56.400 0.050 0.000 0.866 22 E CB -0.272 29.440 29.700 0.021 0.000 0.832 22 E HN 0.591 nan 8.360 nan 0.000 0.500 23 L N 2.695 124.041 121.223 0.204 0.000 2.499 23 L HA 0.077 4.502 4.340 0.143 0.000 0.273 23 L C 0.547 177.549 176.870 0.220 0.000 1.195 23 L CA 0.214 55.215 54.840 0.269 0.000 0.882 23 L CB 0.045 42.353 42.059 0.416 0.000 1.133 23 L HN 0.061 nan 8.230 nan 0.000 0.483 24 N N 3.745 122.569 118.700 0.206 0.000 2.519 24 N HA 0.221 5.046 4.740 0.143 0.000 0.286 24 N C 0.610 176.243 175.510 0.205 0.000 1.079 24 N CA -0.450 52.712 53.050 0.186 0.000 0.878 24 N CB 1.561 40.141 38.487 0.156 0.000 1.375 24 N HN 0.546 nan 8.380 nan 0.000 0.514 25 L N 2.464 123.802 121.223 0.192 0.000 1.990 25 L HA -0.187 4.239 4.340 0.143 0.000 0.213 25 L C 2.566 179.623 176.870 0.311 0.000 1.072 25 L CA 1.450 56.435 54.840 0.242 0.000 0.755 25 L CB -0.276 41.927 42.059 0.241 0.000 0.889 25 L HN 0.569 nan 8.230 nan 0.000 0.432 26 R N -0.824 119.810 120.500 0.223 0.000 2.103 26 R HA -0.257 4.169 4.340 0.143 0.000 0.242 26 R C 2.454 178.881 176.300 0.212 0.000 1.142 26 R CA 1.993 58.207 56.100 0.190 0.000 0.960 26 R CB -0.291 30.082 30.300 0.122 0.000 0.858 26 R HN 0.402 nan 8.270 nan 0.000 0.439 27 H N 0.037 119.174 119.070 0.110 0.000 2.357 27 H HA -0.021 4.621 4.556 0.144 0.000 0.301 27 H C 1.872 177.239 175.328 0.065 0.000 1.082 27 H CA 1.753 57.849 56.048 0.080 0.000 1.342 27 H CB -0.134 29.667 29.762 0.065 0.000 1.389 27 H HN 0.148 nan 8.280 nan 0.000 0.511 28 L N -1.029 120.182 121.223 -0.021 0.000 2.046 28 L HA -0.153 4.273 4.340 0.143 0.000 0.208 28 L C 2.031 178.756 176.870 -0.241 0.000 1.077 28 L CA 1.253 55.982 54.840 -0.185 0.000 0.747 28 L CB -0.477 41.463 42.059 -0.198 0.000 0.896 28 L HN 0.252 nan 8.230 nan 0.000 0.432 29 F N 0.156 120.050 119.950 -0.093 0.000 2.206 29 F HA -0.178 4.433 4.527 0.141 0.000 0.298 29 F C 2.250 178.002 175.800 -0.080 0.000 1.090 29 F CA 1.127 59.081 58.000 -0.077 0.000 1.323 29 F CB -0.305 38.663 39.000 -0.055 0.000 1.028 29 F HN 0.091 nan 8.300 nan 0.000 0.492 30 D N -0.804 119.649 120.400 0.089 0.000 2.218 30 D HA -0.110 4.616 4.640 0.143 0.000 0.204 30 D C 2.053 178.322 176.300 -0.051 0.000 0.976 30 D CA 1.754 55.767 54.000 0.022 0.000 0.853 30 D CB -0.525 40.295 40.800 0.033 0.000 0.939 30 D HN 0.303 nan 8.370 nan 0.000 0.481 31 T N -2.990 111.475 114.554 -0.149 0.000 3.134 31 T HA 0.149 4.585 4.350 0.143 0.000 0.260 31 T C -0.062 174.577 174.700 -0.101 0.000 1.027 31 T CA -0.519 61.490 62.100 -0.151 0.000 0.913 31 T CB 0.486 69.184 68.868 -0.283 0.000 1.046 31 T HN -0.210 nan 8.240 nan 0.000 0.553 32 D N 0.612 120.960 120.400 -0.086 0.000 2.337 32 D HA 0.266 4.992 4.640 0.143 0.000 0.238 32 D C 0.873 177.142 176.300 -0.052 0.000 1.331 32 D CA -0.537 53.420 54.000 -0.071 0.000 0.967 32 D CB 1.206 41.946 40.800 -0.099 0.000 1.382 32 D HN -0.195 nan 8.370 nan 0.000 0.549 33 K N 1.190 121.572 120.400 -0.030 0.000 2.280 33 K HA -0.058 4.348 4.320 0.143 0.000 0.202 33 K C 0.651 177.230 176.600 -0.035 0.000 1.047 33 K CA 0.751 57.032 56.287 -0.009 0.000 0.942 33 K CB 0.424 32.919 32.500 -0.008 0.000 0.739 33 K HN 0.472 nan 8.250 nan 0.000 0.457 34 E N 0.400 120.521 120.200 -0.133 0.000 2.463 34 E HA 0.002 4.438 4.350 0.143 0.000 0.193 34 E C 1.614 178.020 176.600 -0.322 0.000 1.041 34 E CA -0.069 56.139 56.400 -0.319 0.000 0.879 34 E CB 0.262 29.550 29.700 -0.688 0.000 0.997 34 E HN 0.226 nan 8.360 nan 0.000 0.478 35 R N 0.177 120.608 120.500 -0.116 0.000 2.096 35 R HA -0.192 4.234 4.340 0.143 0.000 0.240 35 R C 2.099 178.463 176.300 0.106 0.000 1.139 35 R CA 1.468 57.542 56.100 -0.044 0.000 0.952 35 R CB -0.316 29.727 30.300 -0.429 0.000 0.854 35 R HN 0.151 nan 8.270 nan 0.000 0.436 36 F N 1.988 121.953 119.950 0.025 0.000 2.095 36 F HA -0.224 4.393 4.527 0.150 0.000 0.298 36 F C 1.838 177.657 175.800 0.030 0.000 1.104 36 F CA 1.763 59.806 58.000 0.073 0.000 1.232 36 F CB -0.476 38.579 39.000 0.093 0.000 0.987 36 F HN 0.074 nan 8.300 nan 0.000 0.475 37 N N -0.055 118.571 118.700 -0.123 0.000 2.149 37 N HA -0.200 4.626 4.740 0.143 0.000 0.188 37 N C 1.697 177.136 175.510 -0.119 0.000 1.019 37 N CA 1.924 54.852 53.050 -0.203 0.000 0.857 37 N CB -0.826 37.619 38.487 -0.071 0.000 0.997 37 N HN 0.599 nan 8.380 nan 0.000 0.426 38 H N -2.135 116.842 119.070 -0.155 0.000 2.535 38 H HA 0.108 4.747 4.556 0.139 0.000 0.273 38 H C 0.066 175.031 175.328 -0.605 0.000 0.983 38 H CA 0.198 56.057 56.048 -0.315 0.000 1.238 38 H CB 0.222 29.814 29.762 -0.284 0.000 1.412 38 H HN 0.098 nan 8.280 nan 0.000 0.562 39 F N 1.299 121.052 119.950 -0.329 0.000 2.831 39 F HA 0.255 4.870 4.527 0.147 0.000 0.355 39 F C -0.031 175.020 175.800 -1.249 0.000 1.341 39 F CA -0.540 56.980 58.000 -0.800 0.000 1.201 39 F CB 0.700 39.320 39.000 -0.633 0.000 1.058 39 F HN -0.048 nan 8.300 nan 0.000 0.514 40 S N 0.862 116.186 115.700 -0.627 0.000 2.588 40 S HA 0.899 5.455 4.470 0.143 0.000 0.269 40 S C -1.433 173.114 174.600 -0.087 0.000 1.157 40 S CA -0.925 57.053 58.200 -0.370 0.000 0.824 40 S CB 2.347 65.175 63.200 -0.619 0.000 1.126 40 S HN 0.279 nan 8.310 nan 0.000 0.464 41 L N -1.111 120.153 121.223 0.067 0.000 2.482 41 L HA 0.918 5.344 4.340 0.143 0.000 0.263 41 L C -0.500 176.440 176.870 0.117 0.000 0.957 41 L CA -0.589 54.312 54.840 0.102 0.000 0.836 41 L CB 1.515 43.684 42.059 0.184 0.000 1.324 41 L HN 0.908 nan 8.230 nan 0.000 0.406 42 T N 1.013 115.634 114.554 0.113 0.000 2.794 42 T HA 0.810 5.246 4.350 0.143 0.000 0.280 42 T C -0.357 174.432 174.700 0.149 0.000 0.987 42 T CA -0.520 61.670 62.100 0.151 0.000 0.993 42 T CB 1.028 69.998 68.868 0.171 0.000 0.939 42 T HN 0.665 nan 8.240 nan 0.000 0.449 43 L N 3.461 124.757 121.223 0.121 0.000 2.325 43 L HA 0.505 4.931 4.340 0.143 0.000 0.281 43 L C -0.066 176.726 176.870 -0.130 0.000 1.004 43 L CA -1.020 53.864 54.840 0.072 0.000 0.823 43 L CB 1.550 43.649 42.059 0.067 0.000 1.236 43 L HN 0.641 nan 8.230 nan 0.000 0.415 44 N N 1.218 119.802 118.700 -0.193 0.000 2.457 44 N HA 0.155 4.981 4.740 0.143 0.000 0.250 44 N C 0.695 175.979 175.510 -0.377 0.000 0.982 44 N CA -0.315 52.370 53.050 -0.609 0.000 0.941 44 N CB 1.474 39.656 38.487 -0.509 0.000 1.120 44 N HN 0.669 nan 8.380 nan 0.000 0.505 45 T N 0.135 114.310 114.554 -0.631 0.000 3.086 45 T HA 0.137 4.573 4.350 0.143 0.000 0.250 45 T C 0.357 174.740 174.700 -0.530 0.000 1.074 45 T CA -0.092 61.491 62.100 -0.863 0.000 0.988 45 T CB -0.123 68.129 68.868 -1.027 0.000 0.988 45 T HN 0.567 nan 8.240 nan 0.000 0.530 46 N N 0.887 119.296 118.700 -0.486 0.000 2.980 46 N HA -0.150 4.676 4.740 0.143 0.000 0.219 46 N C -0.355 174.636 175.510 -0.865 0.000 0.883 46 N CA 1.610 54.322 53.050 -0.563 0.000 1.018 46 N CB -1.449 36.711 38.487 -0.545 0.000 1.041 46 N HN 0.647 nan 8.380 nan 0.000 0.592 47 H N -0.453 118.322 119.070 -0.490 0.000 2.637 47 H HA 0.560 5.204 4.556 0.147 0.000 0.245 47 H C 1.224 176.382 175.328 -0.284 0.000 1.190 47 H CA 0.634 56.372 56.048 -0.518 0.000 0.934 47 H CB 0.613 29.681 29.762 -1.156 0.000 1.950 47 H HN 0.471 nan 8.280 nan 0.000 0.614 48 G N 0.504 109.229 108.800 -0.126 0.000 2.375 48 G HA2 -0.082 3.964 3.960 0.143 0.000 0.663 48 G HA3 -0.082 3.964 3.960 0.143 0.000 0.663 48 G C -1.414 173.472 174.900 -0.024 0.000 1.391 48 G CA -1.022 44.093 45.100 0.024 0.000 0.949 48 G HN 0.356 nan 8.290 nan 0.000 0.646 49 H N -0.498 118.565 119.070 -0.013 0.000 2.499 49 H HA 0.659 5.308 4.556 0.155 0.000 0.340 49 H C -0.143 175.217 175.328 0.054 0.000 1.148 49 H CA -0.325 55.719 56.048 -0.007 0.000 1.215 49 H CB 2.032 31.803 29.762 0.015 0.000 1.529 49 H HN 0.387 nan 8.280 nan 0.000 0.510 50 I N 3.554 124.207 120.570 0.139 0.000 2.439 50 I HA 0.065 4.320 4.170 0.143 0.000 0.285 50 I C -0.891 175.332 176.117 0.177 0.000 1.021 50 I CA -0.752 60.651 61.300 0.171 0.000 1.091 50 I CB 2.014 40.068 38.000 0.091 0.000 1.242 50 I HN 0.135 nan 8.210 nan 0.000 0.439 51 L N 8.199 129.545 121.223 0.205 0.000 2.272 51 L HA 0.528 4.954 4.340 0.143 0.000 0.289 51 L C -1.113 175.895 176.870 0.230 0.000 1.032 51 L CA -0.438 54.526 54.840 0.206 0.000 0.810 51 L CB 1.355 43.543 42.059 0.214 0.000 1.205 51 L HN 0.533 nan 8.230 nan 0.000 0.422 52 L N 5.380 126.738 121.223 0.225 0.000 2.283 52 L HA 0.491 4.917 4.340 0.143 0.000 0.281 52 L C -0.921 176.130 176.870 0.302 0.000 1.033 52 L CA -0.017 54.984 54.840 0.269 0.000 0.848 52 L CB 0.713 42.923 42.059 0.253 0.000 1.226 52 L HN 0.666 nan 8.230 nan 0.000 0.429 53 D N 3.734 124.315 120.400 0.302 0.000 2.428 53 D HA 0.144 4.870 4.640 0.143 0.000 0.221 53 D C -0.212 176.266 176.300 0.297 0.000 1.123 53 D CA -0.185 53.972 54.000 0.263 0.000 0.869 53 D CB 0.445 41.465 40.800 0.367 0.000 1.032 53 D HN 0.554 nan 8.370 nan 0.000 0.506 54 Y N 1.478 121.907 120.300 0.215 0.000 2.658 54 Y HA 0.237 4.866 4.550 0.132 0.000 0.276 54 Y C 1.505 177.546 175.900 0.234 0.000 1.167 54 Y CA -0.288 57.947 58.100 0.224 0.000 1.230 54 Y CB -0.331 38.256 38.460 0.211 0.000 1.144 54 Y HN 0.202 nan 8.280 nan 0.000 0.529 55 S N 0.193 115.927 115.700 0.057 0.000 2.453 55 S HA -0.048 4.507 4.470 0.143 0.000 0.231 55 S C 1.094 175.791 174.600 0.161 0.000 1.005 55 S CA 0.295 58.505 58.200 0.017 0.000 0.949 55 S CB -0.282 63.006 63.200 0.147 0.000 0.774 55 S HN 0.507 nan 8.310 nan 0.000 0.510 56 K N 1.958 122.539 120.400 0.302 0.000 2.745 56 K HA 0.260 4.666 4.320 0.143 0.000 0.223 56 K C -0.389 176.350 176.600 0.231 0.000 1.057 56 K CA -0.140 56.335 56.287 0.313 0.000 1.217 56 K CB -0.176 32.408 32.500 0.141 0.000 0.993 56 K HN 0.387 nan 8.250 nan 0.000 0.478 57 N N 0.817 119.652 118.700 0.226 0.000 2.443 57 N HA 0.249 5.075 4.740 0.143 0.000 0.293 57 N C -0.123 175.549 175.510 0.269 0.000 1.159 57 N CA -0.536 52.708 53.050 0.324 0.000 0.904 57 N CB 1.460 40.197 38.487 0.417 0.000 1.214 57 N HN 0.023 nan 8.380 nan 0.000 0.513 58 L N 1.940 123.421 121.223 0.429 0.000 2.437 58 L HA 0.172 4.598 4.340 0.143 0.000 0.243 58 L C -0.022 177.130 176.870 0.469 0.000 1.346 58 L CA -0.366 54.737 54.840 0.439 0.000 1.233 58 L CB -0.735 41.636 42.059 0.520 0.000 1.436 58 L HN 0.207 nan 8.230 nan 0.000 0.416 59 V N -2.149 117.862 119.914 0.162 0.000 3.159 59 V HA 0.875 5.081 4.120 0.143 0.000 0.308 59 V C -0.102 175.947 176.094 -0.076 0.000 1.190 59 V CA -0.499 61.797 62.300 -0.007 0.000 1.037 59 V CB 2.044 33.821 31.823 -0.078 0.000 1.060 59 V HN 0.312 nan 8.190 nan 0.000 0.437 60 T N -1.414 113.121 114.554 -0.031 0.000 2.888 60 T HA 0.607 5.043 4.350 0.143 0.000 0.288 60 T C 0.526 175.343 174.700 0.194 0.000 1.063 60 T CA -0.074 62.068 62.100 0.071 0.000 1.010 60 T CB 2.008 70.911 68.868 0.060 0.000 1.214 60 T HN 0.678 nan 8.240 nan 0.000 0.533 61 E N 0.359 120.719 120.200 0.266 0.000 2.118 61 E HA -0.135 4.300 4.350 0.143 0.000 0.195 61 E C 1.890 178.475 176.600 -0.025 0.000 0.992 61 E CA 1.642 58.093 56.400 0.084 0.000 0.804 61 E CB -0.174 29.533 29.700 0.011 0.000 0.741 61 E HN 0.846 nan 8.360 nan 0.000 0.458 62 E N 0.235 120.395 120.200 -0.066 0.000 2.051 62 E HA -0.182 4.254 4.350 0.143 0.000 0.192 62 E C 1.939 178.320 176.600 -0.366 0.000 0.991 62 E CA 1.329 57.626 56.400 -0.171 0.000 0.799 62 E CB 0.105 29.686 29.700 -0.199 0.000 0.748 62 E HN 0.103 nan 8.360 nan 0.000 0.449 63 V N 1.123 120.721 119.914 -0.526 0.000 2.343 63 V HA -0.291 3.915 4.120 0.143 0.000 0.247 63 V C 2.471 178.277 176.094 -0.480 0.000 1.051 63 V CA 1.553 63.412 62.300 -0.736 0.000 1.036 63 V CB -0.403 30.891 31.823 -0.882 0.000 0.654 63 V HN 0.410 nan 8.190 nan 0.000 0.451 64 M N -0.797 118.649 119.600 -0.256 0.000 2.117 64 M HA -0.171 4.395 4.480 0.143 0.000 0.262 64 M C 2.142 178.384 176.300 -0.098 0.000 1.065 64 M CA 1.819 57.026 55.300 -0.153 0.000 1.114 64 M CB -1.585 30.991 32.600 -0.039 0.000 1.361 64 M HN 0.544 nan 8.290 nan 0.000 0.408 65 H N -0.160 118.789 119.070 -0.202 0.000 2.319 65 H HA -0.117 4.527 4.556 0.146 0.000 0.299 65 H C 2.136 177.364 175.328 -0.168 0.000 1.092 65 H CA 1.548 57.496 56.048 -0.168 0.000 1.302 65 H CB 0.201 29.870 29.762 -0.155 0.000 1.373 65 H HN 0.248 nan 8.280 nan 0.000 0.497 66 M N 0.178 119.683 119.600 -0.159 0.000 2.159 66 M HA -0.186 4.380 4.480 0.143 0.000 0.263 66 M C 2.408 178.630 176.300 -0.129 0.000 1.063 66 M CA 1.214 56.389 55.300 -0.209 0.000 1.110 66 M CB -0.089 32.341 32.600 -0.283 0.000 1.374 66 M HN 0.341 nan 8.290 nan 0.000 0.411 67 L N -0.138 120.992 121.223 -0.154 0.000 2.093 67 L HA -0.191 4.234 4.340 0.143 0.000 0.208 67 L C 2.301 179.138 176.870 -0.056 0.000 1.085 67 L CA 0.993 55.772 54.840 -0.101 0.000 0.755 67 L CB -0.492 41.472 42.059 -0.158 0.000 0.904 67 L HN 0.326 nan 8.230 nan 0.000 0.435 68 L N -0.719 120.476 121.223 -0.048 0.000 2.141 68 L HA -0.191 4.235 4.340 0.143 0.000 0.209 68 L C 2.146 179.012 176.870 -0.006 0.000 1.094 68 L CA 0.830 55.655 54.840 -0.024 0.000 0.763 68 L CB -0.554 41.494 42.059 -0.018 0.000 0.908 68 L HN 0.262 nan 8.230 nan 0.000 0.437 69 D N 0.067 120.469 120.400 0.002 0.000 2.144 69 D HA -0.173 4.553 4.640 0.143 0.000 0.199 69 D C 2.069 178.363 176.300 -0.011 0.000 0.984 69 D CA 1.016 55.010 54.000 -0.011 0.000 0.834 69 D CB -0.063 40.701 40.800 -0.060 0.000 0.955 69 D HN 0.130 nan 8.370 nan 0.000 0.465 70 L N 1.118 122.338 121.223 -0.005 0.000 2.017 70 L HA -0.087 4.339 4.340 0.143 0.000 0.208 70 L C 2.154 179.020 176.870 -0.006 0.000 1.073 70 L CA 1.873 56.724 54.840 0.019 0.000 0.745 70 L CB -0.898 41.197 42.059 0.060 0.000 0.894 70 L HN -0.028 nan 8.230 nan 0.000 0.432 71 A N -0.415 122.393 122.820 -0.020 0.000 1.908 71 A HA -0.264 4.142 4.320 0.143 0.000 0.218 71 A C 2.287 179.854 177.584 -0.028 0.000 1.181 71 A CA 2.210 54.227 52.037 -0.033 0.000 0.627 71 A CB -0.548 18.434 19.000 -0.030 0.000 0.818 71 A HN 0.572 nan 8.150 nan 0.000 0.445 72 K N 0.255 120.642 120.400 -0.023 0.000 2.025 72 K HA -0.113 4.293 4.320 0.143 0.000 0.207 72 K C 2.291 178.879 176.600 -0.020 0.000 1.049 72 K CA 1.652 57.925 56.287 -0.024 0.000 0.933 72 K CB -0.349 32.138 32.500 -0.021 0.000 0.714 72 K HN 0.628 nan 8.250 nan 0.000 0.438 73 S N 0.840 116.532 115.700 -0.013 0.000 2.507 73 S HA -0.022 4.534 4.470 0.143 0.000 0.235 73 S C 1.625 176.219 174.600 -0.011 0.000 0.988 73 S CA 0.564 58.760 58.200 -0.007 0.000 0.944 73 S CB -0.021 63.181 63.200 0.003 0.000 0.762 73 S HN 0.126 nan 8.310 nan 0.000 0.526 74 R N 0.884 121.371 120.500 -0.022 0.000 2.334 74 R HA 0.274 4.700 4.340 0.143 0.000 0.216 74 R C 1.427 177.708 176.300 -0.031 0.000 0.905 74 R CA 0.439 56.519 56.100 -0.033 0.000 1.064 74 R CB -0.810 29.454 30.300 -0.060 0.000 1.046 74 R HN 0.615 nan 8.270 nan 0.000 0.508 75 G N 1.039 109.826 108.800 -0.023 0.000 2.221 75 G HA2 -0.262 3.784 3.960 0.143 0.000 0.265 75 G HA3 -0.262 3.784 3.960 0.143 0.000 0.265 75 G C 0.925 175.818 174.900 -0.010 0.000 1.041 75 G CA 0.420 45.511 45.100 -0.016 0.000 0.807 75 G HN 0.199 nan 8.290 nan 0.000 0.502 76 V N -0.263 119.642 119.914 -0.016 0.000 2.332 76 V HA -0.221 3.985 4.120 0.143 0.000 0.248 76 V C 2.653 178.775 176.094 0.046 0.000 1.055 76 V CA 2.931 65.239 62.300 0.013 0.000 1.038 76 V CB -0.399 31.436 31.823 0.021 0.000 0.651 76 V HN 0.715 nan 8.190 nan 0.000 0.450 77 E N 0.291 120.479 120.200 -0.021 0.000 2.047 77 E HA -0.171 4.265 4.350 0.143 0.000 0.191 77 E C 2.340 178.908 176.600 -0.054 0.000 0.987 77 E CA 1.290 57.642 56.400 -0.080 0.000 0.799 77 E CB -0.379 29.256 29.700 -0.109 0.000 0.752 77 E HN 0.599 nan 8.360 nan 0.000 0.449 78 A N 1.578 124.384 122.820 -0.023 0.000 1.933 78 A HA -0.100 4.306 4.320 0.143 0.000 0.218 78 A C 2.403 180.016 177.584 0.048 0.000 1.175 78 A CA 1.633 53.665 52.037 -0.008 0.000 0.628 78 A CB -0.632 18.365 19.000 -0.005 0.000 0.814 78 A HN 0.286 nan 8.150 nan 0.000 0.444 79 A N -0.205 122.677 122.820 0.103 0.000 1.902 79 A HA -0.177 4.229 4.320 0.143 0.000 0.217 79 A C 2.256 180.081 177.584 0.402 0.000 1.181 79 A CA 1.745 53.919 52.037 0.227 0.000 0.623 79 A CB -0.527 18.581 19.000 0.180 0.000 0.818 79 A HN 0.571 nan 8.150 nan 0.000 0.443 80 R N -0.419 120.299 120.500 0.364 0.000 2.083 80 R HA -0.171 4.255 4.340 0.143 0.000 0.237 80 R C 1.902 178.261 176.300 0.098 0.000 1.137 80 R CA 1.750 57.983 56.100 0.223 0.000 0.951 80 R CB -0.265 29.951 30.300 -0.141 0.000 0.851 80 R HN 0.457 nan 8.270 nan 0.000 0.434 81 E N 0.434 120.623 120.200 -0.017 0.000 2.085 81 E HA -0.137 4.299 4.350 0.143 0.000 0.194 81 E C 2.079 178.690 176.600 0.019 0.000 0.994 81 E CA 1.413 57.784 56.400 -0.049 0.000 0.801 81 E CB -0.325 29.318 29.700 -0.094 0.000 0.743 81 E HN 0.292 nan 8.360 nan 0.000 0.453 82 S N 1.006 116.729 115.700 0.039 0.000 2.370 82 S HA -0.171 4.385 4.470 0.143 0.000 0.226 82 S C 1.914 176.508 174.600 -0.010 0.000 1.033 82 S CA 1.519 59.735 58.200 0.025 0.000 1.011 82 S CB -0.222 63.014 63.200 0.061 0.000 0.852 82 S HN 0.311 nan 8.310 nan 0.000 0.457 83 M N 0.253 119.850 119.600 -0.005 0.000 2.077 83 M HA -0.091 4.474 4.480 0.143 0.000 0.261 83 M C 1.567 177.705 176.300 -0.270 0.000 1.070 83 M CA 1.752 56.936 55.300 -0.193 0.000 1.125 83 M CB -0.296 32.077 32.600 -0.378 0.000 1.339 83 M HN 0.248 nan 8.290 nan 0.000 0.409 84 F N 1.119 120.904 119.950 -0.276 0.000 2.216 84 F HA -0.174 4.440 4.527 0.145 0.000 0.300 84 F C 1.901 177.561 175.800 -0.232 0.000 1.085 84 F CA 1.206 59.048 58.000 -0.263 0.000 1.326 84 F CB -0.650 38.201 39.000 -0.248 0.000 1.027 84 F HN 0.327 nan 8.300 nan 0.000 0.497 85 N N -0.242 118.444 118.700 -0.024 0.000 2.461 85 N HA 0.074 4.900 4.740 0.143 0.000 0.188 85 N C 1.680 177.106 175.510 -0.140 0.000 1.134 85 N CA 1.024 54.027 53.050 -0.078 0.000 0.878 85 N CB 0.118 38.569 38.487 -0.059 0.000 0.972 85 N HN 0.326 nan 8.380 nan 0.000 0.456 86 G N 0.771 109.452 108.800 -0.199 0.000 2.143 86 G HA2 -0.276 3.769 3.960 0.143 0.000 0.249 86 G HA3 -0.276 3.769 3.960 0.143 0.000 0.249 86 G C -0.085 174.714 174.900 -0.169 0.000 0.981 86 G CA -0.104 44.845 45.100 -0.251 0.000 0.665 86 G HN 0.403 nan 8.290 nan 0.000 0.528 87 E N 0.182 120.315 120.200 -0.112 0.000 2.408 87 E HA 0.308 4.744 4.350 0.143 0.000 0.259 87 E C 0.472 177.045 176.600 -0.045 0.000 1.110 87 E CA -0.101 56.264 56.400 -0.059 0.000 0.929 87 E CB 0.431 30.115 29.700 -0.027 0.000 0.971 87 E HN 0.281 nan 8.360 nan 0.000 0.438 88 K N 2.982 123.379 120.400 -0.005 0.000 2.480 88 K HA 0.082 4.488 4.320 0.143 0.000 0.241 88 K C 1.054 177.689 176.600 0.059 0.000 1.261 88 K CA -0.009 56.295 56.287 0.028 0.000 1.193 88 K CB -0.500 32.030 32.500 0.051 0.000 1.598 88 K HN 0.509 nan 8.250 nan 0.000 0.278 89 I N -2.207 118.394 120.570 0.051 0.000 2.756 89 I HA -0.143 4.113 4.170 0.143 0.000 0.262 89 I C 0.670 176.896 176.117 0.181 0.000 1.225 89 I CA 0.761 62.130 61.300 0.115 0.000 1.472 89 I CB -0.204 37.881 38.000 0.143 0.000 1.094 89 I HN 0.283 nan 8.210 nan 0.000 0.454 90 N N 2.177 120.973 118.700 0.160 0.000 2.819 90 N HA 0.003 4.829 4.740 0.143 0.000 0.284 90 N C 1.421 177.054 175.510 0.206 0.000 1.196 90 N CA 0.354 53.546 53.050 0.236 0.000 1.114 90 N CB 0.428 39.042 38.487 0.211 0.000 1.437 90 N HN 0.453 nan 8.380 nan 0.000 0.518 91 S N 0.911 116.733 115.700 0.203 0.000 2.368 91 S HA -0.228 4.328 4.470 0.143 0.000 0.225 91 S C 2.086 176.797 174.600 0.185 0.000 1.030 91 S CA 1.779 60.079 58.200 0.167 0.000 0.999 91 S CB -0.817 62.469 63.200 0.143 0.000 0.844 91 S HN 0.679 nan 8.310 nan 0.000 0.459 92 T N 0.205 114.908 114.554 0.249 0.000 2.867 92 T HA 0.032 4.468 4.350 0.143 0.000 0.268 92 T C 1.447 176.371 174.700 0.374 0.000 1.057 92 T CA 1.217 63.504 62.100 0.313 0.000 1.136 92 T CB -0.465 68.713 68.868 0.517 0.000 0.874 92 T HN 0.623 nan 8.240 nan 0.000 0.466 93 E N 0.692 121.097 120.200 0.342 0.000 2.481 93 E HA 0.135 4.571 4.350 0.143 0.000 0.198 93 E C -0.085 176.639 176.600 0.205 0.000 1.027 93 E CA 0.044 56.624 56.400 0.301 0.000 0.900 93 E CB 0.135 29.969 29.700 0.223 0.000 0.993 93 E HN 0.483 nan 8.360 nan 0.000 0.482 94 D N 1.618 122.126 120.400 0.180 0.000 2.803 94 D HA -0.200 4.526 4.640 0.143 0.000 0.233 94 D C -0.914 175.466 176.300 0.134 0.000 1.182 94 D CA 0.855 54.938 54.000 0.138 0.000 0.726 94 D CB -0.629 40.241 40.800 0.117 0.000 0.987 94 D HN 0.133 nan 8.370 nan 0.000 0.412 95 R N -0.191 120.394 120.500 0.142 0.000 2.808 95 R HA 0.851 5.276 4.340 0.143 0.000 0.272 95 R C -0.128 176.243 176.300 0.118 0.000 0.995 95 R CA -0.550 55.641 56.100 0.151 0.000 0.917 95 R CB 1.493 31.901 30.300 0.180 0.000 1.217 95 R HN 0.139 nan 8.270 nan 0.000 0.471 96 A N 0.959 123.854 122.820 0.124 0.000 2.296 96 A HA 0.510 4.916 4.320 0.143 0.000 0.264 96 A C -0.418 177.179 177.584 0.022 0.000 1.097 96 A CA -0.347 51.696 52.037 0.011 0.000 0.811 96 A CB 0.710 19.644 19.000 -0.110 0.000 1.072 96 A HN 0.340 nan 8.150 nan 0.000 0.495 97 V N 1.339 121.149 119.914 -0.174 0.000 2.385 97 V HA 0.293 4.499 4.120 0.143 0.000 0.277 97 V C -0.472 175.377 176.094 -0.409 0.000 1.012 97 V CA 0.166 62.272 62.300 -0.324 0.000 0.832 97 V CB 0.462 31.792 31.823 -0.821 0.000 1.028 97 V HN 0.674 nan 8.190 nan 0.000 0.436 98 L N 4.580 125.710 121.223 -0.155 0.000 2.960 98 L HA 0.326 4.752 4.340 0.143 0.000 0.274 98 L C 1.427 178.256 176.870 -0.068 0.000 1.327 98 L CA -0.249 54.405 54.840 -0.310 0.000 0.860 98 L CB 0.102 41.789 42.059 -0.621 0.000 1.239 98 L HN 0.850 nan 8.230 nan 0.000 0.551 99 H N -1.922 117.147 119.070 -0.001 0.000 2.491 99 H HA -0.095 4.546 4.556 0.142 0.000 0.290 99 H C 1.959 177.219 175.328 -0.113 0.000 1.050 99 H CA 1.161 57.260 56.048 0.084 0.000 1.309 99 H CB -0.361 29.479 29.762 0.130 0.000 1.392 99 H HN 0.313 nan 8.280 nan 0.000 0.554 100 V N -1.275 118.347 119.914 -0.487 0.000 2.759 100 V HA -0.028 4.178 4.120 0.143 0.000 0.256 100 V C 2.429 178.388 176.094 -0.224 0.000 1.080 100 V CA 1.180 63.237 62.300 -0.404 0.000 1.101 100 V CB -0.932 30.444 31.823 -0.743 0.000 0.698 100 V HN 0.576 nan 8.190 nan 0.000 0.477 101 A N 0.760 123.452 122.820 -0.213 0.000 1.929 101 A HA 0.111 4.517 4.320 0.143 0.000 0.216 101 A C 2.176 179.765 177.584 0.009 0.000 1.176 101 A CA 1.578 53.525 52.037 -0.151 0.000 0.628 101 A CB -0.569 18.233 19.000 -0.329 0.000 0.816 101 A HN 0.550 nan 8.150 nan 0.000 0.444 102 L N -0.139 121.172 121.223 0.147 0.000 2.129 102 L HA -0.183 4.243 4.340 0.143 0.000 0.212 102 L C 2.317 179.267 176.870 0.133 0.000 1.087 102 L CA 1.674 56.668 54.840 0.257 0.000 0.757 102 L CB -0.392 41.901 42.059 0.390 0.000 0.896 102 L HN 0.564 nan 8.230 nan 0.000 0.434 103 R N -0.653 119.848 120.500 0.001 0.000 2.586 103 R HA 0.090 4.515 4.340 0.143 0.000 0.336 103 R C 0.186 176.401 176.300 -0.141 0.000 1.060 103 R CA -0.212 55.846 56.100 -0.069 0.000 1.079 103 R CB -0.697 29.499 30.300 -0.174 0.000 1.317 103 R HN 0.038 nan 8.270 nan 0.000 0.568 104 N N 2.332 120.954 118.700 -0.131 0.000 2.744 104 N HA 0.004 4.830 4.740 0.143 0.000 0.290 104 N C 0.552 175.829 175.510 -0.388 0.000 1.206 104 N CA -0.165 52.738 53.050 -0.244 0.000 1.119 104 N CB 0.484 38.918 38.487 -0.088 0.000 1.449 104 N HN 0.070 nan 8.380 nan 0.000 0.514 105 R N 0.742 120.800 120.500 -0.737 0.000 2.193 105 R HA -0.009 4.417 4.340 0.143 0.000 0.229 105 R C 1.162 177.313 176.300 -0.249 0.000 1.110 105 R CA 0.600 56.461 56.100 -0.398 0.000 0.988 105 R CB -0.677 29.441 30.300 -0.303 0.000 0.871 105 R HN 0.389 nan 8.270 nan 0.000 0.458 106 S N 1.218 116.744 115.700 -0.290 0.000 2.481 106 S HA -0.022 4.534 4.470 0.143 0.000 0.231 106 S C 0.451 175.035 174.600 -0.027 0.000 0.996 106 S CA 0.112 58.298 58.200 -0.022 0.000 0.942 106 S CB -0.149 63.132 63.200 0.135 0.000 0.768 106 S HN 0.330 nan 8.310 nan 0.000 0.520 107 N N 1.113 119.774 118.700 -0.064 0.000 2.708 107 N HA -0.129 4.697 4.740 0.143 0.000 0.251 107 N C -0.667 174.826 175.510 -0.028 0.000 1.123 107 N CA 0.957 53.984 53.050 -0.039 0.000 0.739 107 N CB -1.912 36.565 38.487 -0.018 0.000 1.113 107 N HN 0.345 nan 8.380 nan 0.000 0.561 108 T N 2.216 116.759 114.554 -0.019 0.000 2.902 108 T HA 0.181 4.617 4.350 0.143 0.000 0.301 108 T C -2.075 172.599 174.700 -0.044 0.000 1.012 108 T CA -0.442 61.646 62.100 -0.020 0.000 1.151 108 T CB 0.875 69.740 68.868 -0.006 0.000 0.946 108 T HN 0.020 nan 8.240 nan 0.000 0.542 109 P HA 0.141 nan 4.420 nan 0.000 0.264 109 P C -0.596 176.646 177.300 -0.097 0.000 1.183 109 P CA 0.273 63.330 63.100 -0.072 0.000 0.763 109 P CB 0.253 31.917 31.700 -0.059 0.000 0.807 110 I N 2.967 123.453 120.570 -0.140 0.000 2.476 110 I HA 0.180 4.436 4.170 0.143 0.000 0.281 110 I C -0.555 175.430 176.117 -0.218 0.000 1.040 110 I CA -0.936 60.249 61.300 -0.191 0.000 1.094 110 I CB 1.769 39.610 38.000 -0.264 0.000 1.219 110 I HN -0.046 nan 8.210 nan 0.000 0.450 111 V N 7.066 126.876 119.914 -0.173 0.000 2.432 111 V HA 0.405 4.611 4.120 0.143 0.000 0.275 111 V C 0.045 176.035 176.094 -0.173 0.000 1.043 111 V CA -0.504 61.704 62.300 -0.154 0.000 0.925 111 V CB 1.796 33.558 31.823 -0.101 0.000 0.985 111 V HN 0.398 nan 8.190 nan 0.000 0.466 112 V N 3.796 123.608 119.914 -0.170 0.000 2.525 112 V HA 0.455 4.661 4.120 0.143 0.000 0.299 112 V C -0.285 175.771 176.094 -0.063 0.000 1.034 112 V CA -0.594 61.619 62.300 -0.146 0.000 0.863 112 V CB 1.520 33.202 31.823 -0.234 0.000 0.999 112 V HN 0.952 nan 8.190 nan 0.000 0.423 113 D N 3.925 124.305 120.400 -0.033 0.000 2.746 113 D HA -0.161 4.565 4.640 0.143 0.000 0.236 113 D C 1.241 177.534 176.300 -0.010 0.000 1.129 113 D CA 1.781 55.779 54.000 -0.004 0.000 0.691 113 D CB -1.119 39.697 40.800 0.026 0.000 1.077 113 D HN 1.527 nan 8.370 nan 0.000 0.432 114 G N -0.043 108.741 108.800 -0.026 0.000 2.198 114 G HA2 -0.357 3.689 3.960 0.143 0.000 0.260 114 G HA3 -0.357 3.689 3.960 0.143 0.000 0.260 114 G C 0.202 175.086 174.900 -0.028 0.000 1.025 114 G CA 0.951 46.035 45.100 -0.025 0.000 0.769 114 G HN 0.676 nan 8.290 nan 0.000 0.507 115 K N -0.068 120.307 120.400 -0.042 0.000 2.535 115 K HA 0.410 4.816 4.320 0.143 0.000 0.251 115 K C -1.323 175.229 176.600 -0.080 0.000 0.942 115 K CA -0.899 55.362 56.287 -0.043 0.000 0.798 115 K CB 1.387 33.875 32.500 -0.019 0.000 1.267 115 K HN 0.023 nan 8.250 nan 0.000 0.434 116 D N 2.935 123.288 120.400 -0.077 0.000 2.417 116 D HA 0.006 4.732 4.640 0.143 0.000 0.250 116 D C 1.097 177.320 176.300 -0.128 0.000 1.166 116 D CA -0.169 53.767 54.000 -0.107 0.000 0.881 116 D CB 1.497 42.251 40.800 -0.077 0.000 1.164 116 D HN 0.309 nan 8.370 nan 0.000 0.467 117 V N 2.118 121.906 119.914 -0.210 0.000 3.235 117 V HA -0.072 4.134 4.120 0.143 0.000 0.259 117 V C 1.966 177.942 176.094 -0.197 0.000 1.133 117 V CA 0.274 62.419 62.300 -0.257 0.000 1.128 117 V CB -0.483 31.042 31.823 -0.497 0.000 0.757 117 V HN 0.460 nan 8.190 nan 0.000 0.469 118 M N 0.877 120.390 119.600 -0.145 0.000 2.106 118 M HA -0.022 4.544 4.480 0.143 0.000 0.259 118 M C 0.236 176.528 176.300 -0.013 0.000 1.068 118 M CA 1.699 56.956 55.300 -0.072 0.000 1.100 118 M CB -2.677 29.887 32.600 -0.060 0.000 1.351 118 M HN 0.332 nan 8.290 nan 0.000 0.404 119 P HA -0.148 nan 4.420 nan 0.000 0.215 119 P C 1.463 178.809 177.300 0.077 0.000 1.153 119 P CA 1.274 64.394 63.100 0.033 0.000 0.853 119 P CB 0.023 31.736 31.700 0.022 0.000 0.788 120 E N -0.805 119.430 120.200 0.057 0.000 2.152 120 E HA -0.097 4.339 4.350 0.143 0.000 0.192 120 E C 1.878 178.643 176.600 0.275 0.000 0.983 120 E CA 0.672 57.171 56.400 0.165 0.000 0.818 120 E CB -1.046 28.718 29.700 0.106 0.000 0.758 120 E HN -0.087 nan 8.360 nan 0.000 0.467 121 V N 1.475 121.455 119.914 0.111 0.000 2.295 121 V HA -0.258 3.947 4.120 0.143 0.000 0.246 121 V C 1.821 178.109 176.094 0.322 0.000 1.049 121 V CA 1.917 64.385 62.300 0.279 0.000 1.024 121 V CB -0.531 31.388 31.823 0.161 0.000 0.648 121 V HN 0.332 nan 8.190 nan 0.000 0.447 122 N N 0.010 118.836 118.700 0.210 0.000 2.309 122 N HA -0.140 4.686 4.740 0.143 0.000 0.182 122 N C 1.884 177.520 175.510 0.210 0.000 1.018 122 N CA 0.838 54.008 53.050 0.200 0.000 0.876 122 N CB -0.282 38.284 38.487 0.132 0.000 0.972 122 N HN 0.366 nan 8.380 nan 0.000 0.434 123 K N 1.651 122.179 120.400 0.212 0.000 2.026 123 K HA -0.033 4.373 4.320 0.143 0.000 0.208 123 K C 1.816 178.552 176.600 0.228 0.000 1.048 123 K CA 0.789 57.191 56.287 0.192 0.000 0.929 123 K CB -0.323 32.288 32.500 0.186 0.000 0.713 123 K HN -0.060 nan 8.250 nan 0.000 0.439 124 V N 1.974 122.077 119.914 0.315 0.000 2.358 124 V HA -0.230 3.976 4.120 0.143 0.000 0.246 124 V C 2.609 178.909 176.094 0.343 0.000 1.047 124 V CA 1.387 63.885 62.300 0.329 0.000 1.035 124 V CB -0.374 31.680 31.823 0.386 0.000 0.658 124 V HN 0.231 nan 8.190 nan 0.000 0.452 125 L N -0.134 121.312 121.223 0.371 0.000 2.012 125 L HA -0.222 4.204 4.340 0.143 0.000 0.210 125 L C 2.454 179.471 176.870 0.246 0.000 1.073 125 L CA 1.788 56.894 54.840 0.443 0.000 0.748 125 L CB -0.779 41.568 42.059 0.481 0.000 0.891 125 L HN 0.360 nan 8.230 nan 0.000 0.431 126 D N -0.139 120.356 120.400 0.159 0.000 2.144 126 D HA -0.212 4.514 4.640 0.143 0.000 0.199 126 D C 2.082 178.397 176.300 0.025 0.000 0.984 126 D CA 1.148 55.167 54.000 0.031 0.000 0.834 126 D CB -0.081 40.759 40.800 0.067 0.000 0.955 126 D HN 0.261 nan 8.370 nan 0.000 0.465 127 K N 0.223 120.704 120.400 0.136 0.000 2.057 127 K HA -0.104 4.302 4.320 0.143 0.000 0.207 127 K C 2.187 178.980 176.600 0.322 0.000 1.049 127 K CA 0.861 57.270 56.287 0.202 0.000 0.931 127 K CB -0.023 32.599 32.500 0.204 0.000 0.714 127 K HN 0.059 nan 8.250 nan 0.000 0.440 128 M N 0.597 120.362 119.600 0.275 0.000 2.086 128 M HA -0.171 4.395 4.480 0.143 0.000 0.261 128 M C 2.361 178.638 176.300 -0.039 0.000 1.067 128 M CA 1.667 57.064 55.300 0.161 0.000 1.116 128 M CB -0.218 32.522 32.600 0.232 0.000 1.348 128 M HN 0.080 nan 8.290 nan 0.000 0.407 129 K N 0.591 120.668 120.400 -0.537 0.000 2.026 129 K HA -0.151 4.255 4.320 0.143 0.000 0.208 129 K C 1.993 178.437 176.600 -0.261 0.000 1.048 129 K CA 1.536 57.303 56.287 -0.866 0.000 0.929 129 K CB -0.144 31.557 32.500 -1.332 0.000 0.713 129 K HN 0.273 nan 8.250 nan 0.000 0.439 130 A N 0.928 123.687 122.820 -0.102 0.000 1.883 130 A HA -0.210 4.196 4.320 0.143 0.000 0.217 130 A C 2.040 179.691 177.584 0.112 0.000 1.186 130 A CA 1.691 53.745 52.037 0.027 0.000 0.624 130 A CB -0.949 18.103 19.000 0.086 0.000 0.822 130 A HN 0.548 nan 8.150 nan 0.000 0.444 131 F N 0.147 120.130 119.950 0.054 0.000 2.102 131 F HA -0.212 4.401 4.527 0.143 0.000 0.298 131 F C 2.562 178.338 175.800 -0.040 0.000 1.105 131 F CA 1.418 59.460 58.000 0.071 0.000 1.239 131 F CB -0.925 38.180 39.000 0.175 0.000 0.991 131 F HN 0.361 nan 8.300 nan 0.000 0.474 132 C N 1.098 120.311 119.300 -0.145 0.000 2.413 132 C HA -0.221 4.325 4.460 0.143 0.000 0.276 132 C C 2.763 177.632 174.990 -0.203 0.000 1.248 132 C CA 1.837 60.715 59.018 -0.232 0.000 1.742 132 C CB -1.341 26.384 27.740 -0.026 0.000 2.017 132 C HN 0.650 nan 8.230 nan 0.000 0.481 133 Q N -0.292 119.440 119.800 -0.114 0.000 2.061 133 Q HA -0.176 4.250 4.340 0.143 0.000 0.204 133 Q C 2.551 178.511 176.000 -0.067 0.000 0.984 133 Q CA 1.579 57.344 55.803 -0.064 0.000 0.846 133 Q CB -0.279 28.441 28.738 -0.030 0.000 0.902 133 Q HN 0.668 nan 8.270 nan 0.000 0.421 134 R N 0.017 120.475 120.500 -0.070 0.000 2.081 134 R HA -0.109 4.317 4.340 0.143 0.000 0.235 134 R C 2.336 178.614 176.300 -0.037 0.000 1.131 134 R CA 1.367 57.470 56.100 0.006 0.000 0.960 134 R CB -0.482 29.909 30.300 0.152 0.000 0.856 134 R HN 0.157 nan 8.270 nan 0.000 0.436 135 V N 1.287 121.030 119.914 -0.285 0.000 2.270 135 V HA -0.212 3.994 4.120 0.143 0.000 0.245 135 V C 2.490 178.493 176.094 -0.152 0.000 1.043 135 V CA 1.607 63.719 62.300 -0.312 0.000 1.014 135 V CB -0.482 30.938 31.823 -0.672 0.000 0.645 135 V HN 0.283 nan 8.190 nan 0.000 0.447 136 R N 0.997 121.408 120.500 -0.147 0.000 2.081 136 R HA -0.117 4.309 4.340 0.143 0.000 0.235 136 R C 2.551 178.832 176.300 -0.032 0.000 1.131 136 R CA 1.767 57.823 56.100 -0.073 0.000 0.960 136 R CB -0.869 29.397 30.300 -0.057 0.000 0.856 136 R HN 0.701 nan 8.270 nan 0.000 0.436 137 S N -0.936 114.750 115.700 -0.024 0.000 2.481 137 S HA 0.027 4.583 4.470 0.143 0.000 0.231 137 S C 1.547 176.154 174.600 0.011 0.000 0.996 137 S CA 0.970 59.169 58.200 -0.001 0.000 0.942 137 S CB 0.286 63.489 63.200 0.005 0.000 0.768 137 S HN 0.535 nan 8.310 nan 0.000 0.520 138 G N 0.937 109.748 108.800 0.019 0.000 2.194 138 G HA2 -0.251 3.795 3.960 0.143 0.000 0.236 138 G HA3 -0.251 3.795 3.960 0.143 0.000 0.236 138 G C 0.505 175.440 174.900 0.057 0.000 0.987 138 G CA 0.351 45.475 45.100 0.039 0.000 0.635 138 G HN 0.447 nan 8.290 nan 0.000 0.520 139 D N -0.625 119.810 120.400 0.058 0.000 2.133 139 D HA -0.069 4.657 4.640 0.143 0.000 0.195 139 D C 1.186 177.536 176.300 0.083 0.000 0.997 139 D CA 0.831 54.865 54.000 0.058 0.000 0.840 139 D CB -0.108 40.727 40.800 0.059 0.000 0.947 139 D HN 0.524 nan 8.370 nan 0.000 0.452 140 W N 1.962 123.226 121.300 -0.060 0.000 2.253 140 W HA 0.218 4.964 4.660 0.144 0.000 0.322 140 W C -0.117 176.375 176.519 -0.047 0.000 1.342 140 W CA 0.010 57.323 57.345 -0.054 0.000 1.218 140 W CB 0.404 29.795 29.460 -0.114 0.000 1.205 140 W HN -0.287 nan 8.180 nan 0.000 0.551 141 K N 3.145 123.415 120.400 -0.218 0.000 2.328 141 K HA 0.579 4.985 4.320 0.143 0.000 0.246 141 K C 0.347 176.899 176.600 -0.080 0.000 0.955 141 K CA -0.500 55.743 56.287 -0.072 0.000 0.817 141 K CB 1.715 34.160 32.500 -0.091 0.000 1.208 141 K HN 0.513 nan 8.250 nan 0.000 0.432 142 G N 0.470 109.297 108.800 0.046 0.000 2.599 142 G HA2 0.076 4.122 3.960 0.143 0.000 0.264 142 G HA3 0.076 4.122 3.960 0.143 0.000 0.264 142 G C 0.428 175.450 174.900 0.204 0.000 1.200 142 G CA -0.166 45.008 45.100 0.123 0.000 0.896 142 G HN 0.828 nan 8.290 nan 0.000 0.536 143 Y N -1.595 119.015 120.300 0.516 0.000 2.556 143 Y HA -0.025 4.610 4.550 0.143 0.000 0.290 143 Y C 2.127 178.134 175.900 0.178 0.000 1.149 143 Y CA 1.466 59.755 58.100 0.316 0.000 1.329 143 Y CB -0.218 38.483 38.460 0.400 0.000 0.975 143 Y HN 0.280 nan 8.280 nan 0.000 0.561 144 T N -0.395 113.871 114.554 -0.480 0.000 3.040 144 T HA 0.324 4.760 4.350 0.143 0.000 0.250 144 T C 1.471 176.078 174.700 -0.154 0.000 1.058 144 T CA 0.735 62.583 62.100 -0.421 0.000 0.988 144 T CB -0.494 68.029 68.868 -0.576 0.000 0.993 144 T HN 0.775 nan 8.240 nan 0.000 0.519 145 G N 1.766 110.517 108.800 -0.081 0.000 2.159 145 G HA2 -0.185 3.861 3.960 0.143 0.000 0.227 145 G HA3 -0.185 3.861 3.960 0.143 0.000 0.227 145 G C -0.003 174.884 174.900 -0.021 0.000 0.986 145 G CA -0.230 44.845 45.100 -0.041 0.000 0.651 145 G HN 0.468 nan 8.290 nan 0.000 0.523 146 K N 1.141 121.535 120.400 -0.011 0.000 2.087 146 K HA 0.571 4.977 4.320 0.143 0.000 0.255 146 K C 0.937 177.571 176.600 0.057 0.000 0.988 146 K CA 0.073 56.372 56.287 0.020 0.000 0.915 146 K CB 0.963 33.475 32.500 0.020 0.000 1.043 146 K HN 0.299 nan 8.250 nan 0.000 0.457 147 T N -1.104 113.484 114.554 0.056 0.000 2.899 147 T HA 0.256 4.692 4.350 0.143 0.000 0.295 147 T C 0.622 175.372 174.700 0.084 0.000 1.033 147 T CA -0.878 61.265 62.100 0.072 0.000 1.084 147 T CB 0.390 69.288 68.868 0.049 0.000 0.979 147 T HN 0.206 nan 8.240 nan 0.000 0.532 148 I N 3.540 124.161 120.570 0.085 0.000 2.533 148 I HA 0.117 4.373 4.170 0.143 0.000 0.284 148 I C 1.756 177.895 176.117 0.036 0.000 1.109 148 I CA 0.086 61.421 61.300 0.059 0.000 1.412 148 I CB 0.392 38.388 38.000 -0.006 0.000 1.396 148 I HN 1.087 nan 8.210 nan 0.000 0.543 149 T N 0.862 115.446 114.554 0.050 0.000 2.978 149 T HA 0.221 4.657 4.350 0.143 0.000 0.248 149 T C 0.230 174.973 174.700 0.070 0.000 1.018 149 T CA -0.141 61.994 62.100 0.059 0.000 1.026 149 T CB 0.192 69.106 68.868 0.076 0.000 1.032 149 T HN 0.477 nan 8.240 nan 0.000 0.485 150 D N 0.383 120.807 120.400 0.040 0.000 2.780 150 D HA 0.634 5.360 4.640 0.143 0.000 0.242 150 D C -1.542 174.698 176.300 -0.101 0.000 1.135 150 D CA -0.492 53.536 54.000 0.047 0.000 0.859 150 D CB 2.770 43.586 40.800 0.027 0.000 1.530 150 D HN 0.026 nan 8.370 nan 0.000 0.493 151 V N 2.614 122.476 119.914 -0.087 0.000 2.448 151 V HA 0.481 4.687 4.120 0.143 0.000 0.295 151 V C -0.728 175.189 176.094 -0.295 0.000 1.025 151 V CA -0.662 61.497 62.300 -0.234 0.000 0.859 151 V CB 1.327 33.027 31.823 -0.205 0.000 0.988 151 V HN 0.428 nan 8.190 nan 0.000 0.431 152 I N 4.832 125.110 120.570 -0.486 0.000 2.382 152 I HA 0.366 4.622 4.170 0.143 0.000 0.286 152 I C 0.200 176.106 176.117 -0.352 0.000 1.002 152 I CA -0.100 60.920 61.300 -0.467 0.000 1.135 152 I CB 1.360 38.956 38.000 -0.673 0.000 1.288 152 I HN 0.517 nan 8.210 nan 0.000 0.448 153 N N 7.469 125.911 118.700 -0.431 0.000 2.434 153 N HA 0.430 5.256 4.740 0.143 0.000 0.272 153 N C -1.108 174.334 175.510 -0.113 0.000 1.040 153 N CA -0.223 52.661 53.050 -0.277 0.000 0.956 153 N CB 1.034 39.300 38.487 -0.368 0.000 1.108 153 N HN 0.500 nan 8.380 nan 0.000 0.481 154 I N 2.582 123.135 120.570 -0.028 0.000 2.382 154 I HA 0.489 4.745 4.170 0.143 0.000 0.286 154 I C 0.524 176.639 176.117 -0.002 0.000 1.002 154 I CA -0.566 60.733 61.300 -0.003 0.000 1.135 154 I CB 1.695 39.706 38.000 0.018 0.000 1.288 154 I HN 0.564 nan 8.210 nan 0.000 0.448 155 G N 6.514 115.323 108.800 0.015 0.000 2.466 155 G HA2 0.593 4.639 3.960 0.143 0.000 0.291 155 G HA3 0.593 4.639 3.960 0.143 0.000 0.291 155 G C -1.524 173.391 174.900 0.025 0.000 1.460 155 G CA -0.659 44.448 45.100 0.011 0.000 0.791 155 G HN 0.646 nan 8.290 nan 0.000 0.505 156 I N -1.599 118.977 120.570 0.009 0.000 2.957 156 I HA 0.883 5.138 4.170 0.143 0.000 0.310 156 I C 1.049 177.159 176.117 -0.012 0.000 1.063 156 I CA -0.158 61.147 61.300 0.008 0.000 1.033 156 I CB 1.903 39.904 38.000 0.002 0.000 1.230 156 I HN 1.883 nan 8.210 nan 0.000 0.447 157 G N 2.960 111.743 108.800 -0.028 0.000 2.660 157 G HA2 -0.352 3.694 3.960 0.143 0.000 0.321 157 G HA3 -0.352 3.694 3.960 0.143 0.000 0.321 157 G C 0.889 175.739 174.900 -0.082 0.000 1.246 157 G CA 0.742 45.804 45.100 -0.062 0.000 1.000 157 G HN 1.519 nan 8.290 nan 0.000 0.550 158 G N -0.645 108.101 108.800 -0.090 0.000 2.498 158 G HA2 0.157 4.203 3.960 0.143 0.000 0.219 158 G HA3 0.157 4.203 3.960 0.143 0.000 0.219 158 G C 1.714 176.568 174.900 -0.077 0.000 1.119 158 G CA 1.801 46.839 45.100 -0.104 0.000 0.766 158 G HN 1.097 nan 8.290 nan 0.000 0.552 159 S N -0.586 115.085 115.700 -0.047 0.000 2.605 159 S HA 0.148 4.704 4.470 0.143 0.000 0.217 159 S C 1.170 175.768 174.600 -0.003 0.000 0.958 159 S CA 0.730 58.907 58.200 -0.038 0.000 0.919 159 S CB 0.259 63.458 63.200 -0.003 0.000 0.780 159 S HN 0.670 nan 8.310 nan 0.000 0.507 160 D N 0.009 120.403 120.400 -0.010 0.000 2.954 160 D HA 0.107 4.833 4.640 0.143 0.000 0.266 160 D C 1.588 177.838 176.300 -0.082 0.000 1.277 160 D CA -0.177 53.838 54.000 0.025 0.000 1.130 160 D CB -0.554 40.275 40.800 0.048 0.000 1.440 160 D HN 0.044 nan 8.370 nan 0.000 0.427 161 L N 1.222 122.392 121.223 -0.090 0.000 2.043 161 L HA 0.124 4.550 4.340 0.143 0.000 0.212 161 L C 2.158 178.976 176.870 -0.087 0.000 1.075 161 L CA 2.615 57.394 54.840 -0.102 0.000 0.752 161 L CB -1.121 40.884 42.059 -0.091 0.000 0.891 161 L HN 0.319 nan 8.230 nan 0.000 0.432 162 G N -0.840 107.944 108.800 -0.027 0.000 2.453 162 G HA2 -0.196 3.850 3.960 0.143 0.000 0.215 162 G HA3 -0.196 3.850 3.960 0.143 0.000 0.215 162 G C -0.588 174.110 174.900 -0.337 0.000 1.201 162 G CA 0.837 45.820 45.100 -0.196 0.000 0.784 162 G HN 0.357 nan 8.290 nan 0.000 0.545 163 P HA -0.079 nan 4.420 nan 0.000 0.215 163 P C 2.085 179.085 177.300 -0.501 0.000 1.153 163 P CA 0.614 63.600 63.100 -0.190 0.000 0.853 163 P CB -0.098 31.662 31.700 0.099 0.000 0.788 164 L N -1.585 119.080 121.223 -0.930 0.000 1.994 164 L HA -0.153 4.272 4.340 0.143 0.000 0.208 164 L C 2.311 178.816 176.870 -0.609 0.000 1.071 164 L CA 1.730 55.786 54.840 -1.307 0.000 0.745 164 L CB -0.604 40.831 42.059 -1.040 0.000 0.892 164 L HN -0.045 nan 8.230 nan 0.000 0.431 165 M N -0.655 118.684 119.600 -0.435 0.000 2.117 165 M HA -0.165 4.401 4.480 0.143 0.000 0.262 165 M C 2.128 178.279 176.300 -0.248 0.000 1.065 165 M CA 1.945 57.056 55.300 -0.314 0.000 1.114 165 M CB -0.497 31.913 32.600 -0.316 0.000 1.361 165 M HN 0.224 nan 8.290 nan 0.000 0.408 166 V N 0.719 120.456 119.914 -0.294 0.000 2.307 166 V HA -0.236 3.970 4.120 0.143 0.000 0.245 166 V C 2.608 178.644 176.094 -0.098 0.000 1.045 166 V CA 2.234 64.410 62.300 -0.207 0.000 1.024 166 V CB -1.516 30.155 31.823 -0.253 0.000 0.651 166 V HN 0.671 nan 8.190 nan 0.000 0.449 167 T N -2.230 112.276 114.554 -0.079 0.000 2.833 167 T HA -0.190 4.246 4.350 0.143 0.000 0.269 167 T C 1.725 176.469 174.700 0.072 0.000 1.054 167 T CA 1.306 63.449 62.100 0.072 0.000 1.135 167 T CB -0.284 68.636 68.868 0.087 0.000 0.869 167 T HN 0.391 nan 8.240 nan 0.000 0.466 168 E N 1.745 121.941 120.200 -0.006 0.000 2.072 168 E HA 0.053 4.488 4.350 0.143 0.000 0.191 168 E C 2.605 179.284 176.600 0.132 0.000 0.985 168 E CA 1.329 57.791 56.400 0.103 0.000 0.801 168 E CB -0.662 29.085 29.700 0.079 0.000 0.750 168 E HN 0.695 nan 8.360 nan 0.000 0.452 169 A N 0.594 123.445 122.820 0.051 0.000 2.014 169 A HA -0.038 4.368 4.320 0.143 0.000 0.218 169 A C 1.929 179.455 177.584 -0.097 0.000 1.163 169 A CA 0.712 52.776 52.037 0.045 0.000 0.652 169 A CB -0.196 18.819 19.000 0.026 0.000 0.808 169 A HN 0.166 nan 8.150 nan 0.000 0.449 170 L N -0.960 120.221 121.223 -0.070 0.000 2.928 170 L HA 0.165 4.591 4.340 0.143 0.000 0.246 170 L C 1.611 178.465 176.870 -0.026 0.000 1.239 170 L CA -0.239 54.596 54.840 -0.009 0.000 1.035 170 L CB 0.174 42.230 42.059 -0.006 0.000 1.360 170 L HN 0.152 nan 8.230 nan 0.000 0.529 171 K N 2.022 122.303 120.400 -0.198 0.000 2.089 171 K HA -0.147 4.258 4.320 0.143 0.000 0.210 171 K C -0.742 175.739 176.600 -0.199 0.000 1.048 171 K CA 1.876 58.086 56.287 -0.129 0.000 0.926 171 K CB -0.941 31.526 32.500 -0.056 0.000 0.714 171 K HN 0.130 nan 8.250 nan 0.000 0.448 172 P HA -0.104 nan 4.420 nan 0.000 0.225 172 P C 0.009 177.005 177.300 -0.507 0.000 1.148 172 P CA 1.087 63.952 63.100 -0.391 0.000 0.779 172 P CB 0.010 31.383 31.700 -0.544 0.000 0.780 173 Y N -1.355 118.831 120.300 -0.190 0.000 2.524 173 Y HA 0.130 4.767 4.550 0.144 0.000 0.266 173 Y C 1.642 177.420 175.900 -0.203 0.000 1.180 173 Y CA 0.044 58.050 58.100 -0.156 0.000 1.244 173 Y CB -0.514 37.871 38.460 -0.124 0.000 1.125 173 Y HN 0.001 nan 8.280 nan 0.000 0.524 174 S N -2.195 113.376 115.700 -0.216 0.000 2.660 174 S HA 0.118 4.674 4.470 0.143 0.000 0.227 174 S C 0.536 175.000 174.600 -0.227 0.000 0.948 174 S CA -0.474 57.482 58.200 -0.406 0.000 0.948 174 S CB -0.176 62.421 63.200 -1.004 0.000 0.779 174 S HN 0.098 nan 8.310 nan 0.000 0.487 175 S N 1.731 117.350 115.700 -0.135 0.000 2.546 175 S HA 0.449 5.005 4.470 0.143 0.000 0.290 175 S C 1.386 175.953 174.600 -0.055 0.000 1.262 175 S CA 0.780 58.931 58.200 -0.082 0.000 1.083 175 S CB -0.100 63.059 63.200 -0.069 0.000 0.859 175 S HN 1.205 nan 8.310 nan 0.000 0.495 176 G N 3.076 111.853 108.800 -0.039 0.000 2.175 176 G HA2 -0.165 3.880 3.960 0.143 0.000 0.244 176 G HA3 -0.165 3.880 3.960 0.143 0.000 0.244 176 G C 0.314 175.204 174.900 -0.017 0.000 0.982 176 G CA -0.169 44.919 45.100 -0.020 0.000 0.641 176 G HN 1.079 nan 8.290 nan 0.000 0.527 177 G N 0.306 109.088 108.800 -0.030 0.000 2.437 177 G HA2 0.767 4.813 3.960 0.143 0.000 0.319 177 G HA3 0.767 4.813 3.960 0.143 0.000 0.319 177 G C -1.705 173.228 174.900 0.055 0.000 1.158 177 G CA -0.627 44.473 45.100 -0.000 0.000 0.899 177 G HN 0.273 nan 8.290 nan 0.000 0.502 178 P HA 0.253 nan 4.420 nan 0.000 0.276 178 P C -0.339 177.038 177.300 0.129 0.000 1.252 178 P CA -0.515 62.626 63.100 0.069 0.000 0.802 178 P CB 1.323 33.031 31.700 0.012 0.000 1.035 179 R N -0.043 120.517 120.500 0.101 0.000 2.594 179 R HA 0.330 4.756 4.340 0.143 0.000 0.272 179 R C 0.034 176.292 176.300 -0.071 0.000 1.074 179 R CA -0.492 55.627 56.100 0.032 0.000 1.105 179 R CB 0.348 30.690 30.300 0.069 0.000 1.008 179 R HN 0.366 nan 8.270 nan 0.000 0.472 180 V N -0.417 119.286 119.914 -0.353 0.000 2.628 180 V HA 0.656 4.862 4.120 0.143 0.000 0.306 180 V C -1.107 174.691 176.094 -0.494 0.000 1.045 180 V CA -1.076 60.989 62.300 -0.393 0.000 0.905 180 V CB 1.280 32.787 31.823 -0.527 0.000 0.997 180 V HN 0.667 nan 8.190 nan 0.000 0.436 181 W N 2.573 123.545 121.300 -0.547 0.000 2.864 181 W HA 0.848 5.594 4.660 0.144 0.000 0.343 181 W C -1.253 174.841 176.519 -0.708 0.000 1.109 181 W CA -0.938 56.176 57.345 -0.386 0.000 1.192 181 W CB 1.898 31.181 29.460 -0.295 0.000 1.426 181 W HN 0.499 nan 8.180 nan 0.000 0.529 182 F N 1.639 121.630 119.950 0.068 0.000 2.539 182 F HA 0.566 5.179 4.527 0.144 0.000 0.328 182 F C -0.410 175.306 175.800 -0.141 0.000 1.148 182 F CA -1.213 56.773 58.000 -0.023 0.000 0.940 182 F CB 1.290 40.277 39.000 -0.022 0.000 1.194 182 F HN -0.169 nan 8.300 nan 0.000 0.438 183 V N 2.802 122.655 119.914 -0.102 0.000 2.417 183 V HA 0.474 4.680 4.120 0.143 0.000 0.291 183 V C 0.124 176.158 176.094 -0.099 0.000 1.024 183 V CA -0.016 62.046 62.300 -0.397 0.000 0.861 183 V CB 1.472 33.136 31.823 -0.264 0.000 0.985 183 V HN 0.950 nan 8.190 nan 0.000 0.436 184 S N 2.729 118.469 115.700 0.068 0.000 3.084 184 S HA 0.149 4.705 4.470 0.143 0.000 0.262 184 S C 0.661 175.386 174.600 0.209 0.000 1.081 184 S CA -0.216 58.092 58.200 0.179 0.000 0.855 184 S CB -0.118 63.199 63.200 0.194 0.000 0.857 184 S HN 0.546 nan 8.310 nan 0.000 0.449 185 N N 1.724 120.655 118.700 0.384 0.000 2.454 185 N HA 0.164 4.990 4.740 0.143 0.000 0.254 185 N C 0.643 176.236 175.510 0.139 0.000 1.228 185 N CA -0.098 53.059 53.050 0.177 0.000 0.900 185 N CB 0.907 39.427 38.487 0.055 0.000 1.089 185 N HN 0.330 nan 8.380 nan 0.000 0.449 186 I N 1.833 122.444 120.570 0.069 0.000 2.676 186 I HA -0.064 4.192 4.170 0.143 0.000 0.259 186 I C 0.277 176.425 176.117 0.052 0.000 1.194 186 I CA 0.432 61.761 61.300 0.049 0.000 1.473 186 I CB -0.549 37.467 38.000 0.026 0.000 1.096 186 I HN 0.532 nan 8.210 nan 0.000 0.443 187 D N 0.643 121.074 120.400 0.051 0.000 2.502 187 D HA -0.031 4.695 4.640 0.143 0.000 0.249 187 D C 1.624 177.963 176.300 0.066 0.000 1.188 187 D CA 0.884 54.910 54.000 0.042 0.000 0.890 187 D CB 0.915 41.727 40.800 0.021 0.000 1.140 187 D HN 0.333 nan 8.370 nan 0.000 0.505 188 G N 3.334 112.163 108.800 0.049 0.000 2.517 188 G HA2 -0.321 3.725 3.960 0.143 0.000 0.222 188 G HA3 -0.321 3.725 3.960 0.143 0.000 0.222 188 G C 1.491 176.428 174.900 0.061 0.000 1.109 188 G CA 1.226 46.356 45.100 0.049 0.000 0.746 188 G HN 0.593 nan 8.290 nan 0.000 0.576 189 T N -0.562 114.030 114.554 0.063 0.000 2.699 189 T HA -0.168 4.268 4.350 0.143 0.000 0.268 189 T C 1.878 176.653 174.700 0.126 0.000 1.036 189 T CA 1.491 63.633 62.100 0.070 0.000 1.147 189 T CB -0.381 68.515 68.868 0.048 0.000 0.862 189 T HN 0.606 nan 8.240 nan 0.000 0.446 190 H N -0.157 118.926 119.070 0.020 0.000 2.267 190 H HA -0.011 4.630 4.556 0.143 0.000 0.297 190 H C 2.447 177.783 175.328 0.012 0.000 1.080 190 H CA 1.467 57.533 56.048 0.029 0.000 1.278 190 H CB -0.143 29.640 29.762 0.035 0.000 1.365 190 H HN 0.266 nan 8.280 nan 0.000 0.489 191 I N 0.300 120.904 120.570 0.056 0.000 2.315 191 I HA -0.199 4.057 4.170 0.143 0.000 0.248 191 I C 2.510 178.570 176.117 -0.094 0.000 1.117 191 I CA 1.085 62.345 61.300 -0.066 0.000 1.404 191 I CB -0.248 37.721 38.000 -0.052 0.000 1.071 191 I HN 0.343 nan 8.210 nan 0.000 0.419 192 A N 1.948 124.748 122.820 -0.033 0.000 1.877 192 A HA -0.273 4.133 4.320 0.143 0.000 0.216 192 A C 2.294 179.848 177.584 -0.050 0.000 1.186 192 A CA 2.175 54.186 52.037 -0.044 0.000 0.620 192 A CB -0.684 18.320 19.000 0.007 0.000 0.822 192 A HN 0.626 nan 8.150 nan 0.000 0.443 193 K N -1.294 119.109 120.400 0.006 0.000 2.217 193 K HA -0.047 4.359 4.320 0.143 0.000 0.202 193 K C 1.623 178.218 176.600 -0.008 0.000 1.051 193 K CA 1.716 58.020 56.287 0.028 0.000 0.952 193 K CB -0.581 31.972 32.500 0.088 0.000 0.736 193 K HN 0.279 nan 8.250 nan 0.000 0.453 194 T N 2.045 116.563 114.554 -0.061 0.000 2.770 194 T HA 0.046 4.482 4.350 0.143 0.000 0.263 194 T C 1.808 176.230 174.700 -0.463 0.000 1.039 194 T CA 0.968 62.958 62.100 -0.183 0.000 1.142 194 T CB -0.134 68.636 68.868 -0.163 0.000 0.868 194 T HN 0.117 nan 8.240 nan 0.000 0.435 195 L N 0.986 121.921 121.223 -0.480 0.000 2.141 195 L HA -0.003 4.423 4.340 0.143 0.000 0.209 195 L C 2.979 179.590 176.870 -0.432 0.000 1.094 195 L CA 0.858 55.226 54.840 -0.785 0.000 0.763 195 L CB -0.671 40.690 42.059 -1.163 0.000 0.908 195 L HN 0.235 nan 8.230 nan 0.000 0.437 196 A N -0.856 121.841 122.820 -0.205 0.000 2.070 196 A HA -0.192 4.214 4.320 0.143 0.000 0.220 196 A C 2.077 179.650 177.584 -0.018 0.000 1.159 196 A CA 1.572 53.593 52.037 -0.027 0.000 0.656 196 A CB -0.839 18.163 19.000 0.004 0.000 0.800 196 A HN 0.596 nan 8.150 nan 0.000 0.453 197 C N -0.672 118.546 119.300 -0.137 0.000 2.791 197 C HA 0.517 5.063 4.460 0.143 0.000 0.270 197 C C 0.647 175.539 174.990 -0.162 0.000 1.257 197 C CA -0.686 58.269 59.018 -0.106 0.000 1.699 197 C CB -1.901 25.792 27.740 -0.078 0.000 1.904 197 C HN 0.433 nan 8.230 nan 0.000 0.603 198 L N 1.225 122.351 121.223 -0.162 0.000 2.322 198 L HA 0.480 4.906 4.340 0.143 0.000 0.269 198 L C -0.269 176.762 176.870 0.268 0.000 1.012 198 L CA -0.308 54.498 54.840 -0.056 0.000 0.815 198 L CB 0.847 42.745 42.059 -0.270 0.000 1.295 198 L HN 0.040 nan 8.230 nan 0.000 0.438 199 N N 2.526 121.362 118.700 0.226 0.000 2.469 199 N HA 0.250 5.076 4.740 0.143 0.000 0.253 199 N C -1.883 173.803 175.510 0.294 0.000 0.970 199 N CA -2.037 51.146 53.050 0.222 0.000 0.940 199 N CB 2.018 40.584 38.487 0.131 0.000 1.128 199 N HN 0.299 nan 8.380 nan 0.000 0.503 200 P HA -0.164 nan 4.420 nan 0.000 0.217 200 P C 0.488 177.991 177.300 0.338 0.000 1.148 200 P CA 1.320 64.576 63.100 0.259 0.000 0.828 200 P CB 0.549 32.088 31.700 -0.269 0.000 0.783 201 E N 0.363 120.706 120.200 0.238 0.000 2.153 201 E HA -0.102 4.334 4.350 0.143 0.000 0.194 201 E C 1.484 178.290 176.600 0.343 0.000 0.988 201 E CA 1.655 58.178 56.400 0.205 0.000 0.811 201 E CB -0.244 29.461 29.700 0.007 0.000 0.746 201 E HN 0.402 nan 8.360 nan 0.000 0.466 202 S N -0.520 115.345 115.700 0.275 0.000 2.664 202 S HA 0.261 4.817 4.470 0.143 0.000 0.245 202 S C 0.070 174.790 174.600 0.199 0.000 1.019 202 S CA -0.680 57.660 58.200 0.233 0.000 0.996 202 S CB 0.873 64.153 63.200 0.134 0.000 0.878 202 S HN -0.148 nan 8.310 nan 0.000 0.493 203 S N 2.049 117.913 115.700 0.273 0.000 2.451 203 S HA 0.685 5.241 4.470 0.143 0.000 0.301 203 S C -0.940 173.693 174.600 0.055 0.000 1.116 203 S CA -0.612 57.624 58.200 0.059 0.000 1.093 203 S CB 1.436 64.647 63.200 0.019 0.000 1.017 203 S HN 0.517 nan 8.310 nan 0.000 0.482 204 L N 4.055 125.143 121.223 -0.224 0.000 2.325 204 L HA 0.661 5.087 4.340 0.143 0.000 0.281 204 L C -1.709 174.875 176.870 -0.476 0.000 1.004 204 L CA -0.346 54.367 54.840 -0.212 0.000 0.823 204 L CB 0.339 42.296 42.059 -0.171 0.000 1.236 204 L HN 0.488 nan 8.230 nan 0.000 0.415 205 F N 5.599 125.290 119.950 -0.432 0.000 2.421 205 F HA 0.546 5.159 4.527 0.143 0.000 0.337 205 F C 0.183 175.837 175.800 -0.243 0.000 1.105 205 F CA -0.394 57.326 58.000 -0.466 0.000 1.049 205 F CB 1.298 39.746 39.000 -0.919 0.000 1.139 205 F HN 0.244 nan 8.300 nan 0.000 0.479 206 I N 5.220 125.786 120.570 -0.008 0.000 2.382 206 I HA 0.268 4.524 4.170 0.143 0.000 0.285 206 I C -0.885 175.270 176.117 0.064 0.000 1.007 206 I CA -0.603 60.705 61.300 0.014 0.000 1.142 206 I CB 1.003 38.955 38.000 -0.080 0.000 1.289 206 I HN 0.293 nan 8.210 nan 0.000 0.453 207 I N 5.807 126.462 120.570 0.142 0.000 2.301 207 I HA 0.317 4.573 4.170 0.143 0.000 0.292 207 I C 0.716 176.922 176.117 0.148 0.000 1.046 207 I CA -0.404 60.955 61.300 0.097 0.000 1.282 207 I CB 0.881 38.912 38.000 0.051 0.000 1.409 207 I HN 0.515 nan 8.210 nan 0.000 0.484 208 A N 5.076 127.937 122.820 0.069 0.000 2.341 208 A HA 0.603 5.009 4.320 0.143 0.000 0.326 208 A C 0.200 177.849 177.584 0.108 0.000 1.402 208 A CA -0.300 51.801 52.037 0.106 0.000 0.957 208 A CB 0.465 19.489 19.000 0.040 0.000 1.151 208 A HN 0.660 nan 8.150 nan 0.000 0.533 209 S N 2.182 118.013 115.700 0.219 0.000 2.616 209 S HA 0.319 4.875 4.470 0.143 0.000 0.276 209 S C 0.531 175.275 174.600 0.240 0.000 1.159 209 S CA -0.508 57.796 58.200 0.174 0.000 1.000 209 S CB 1.036 64.219 63.200 -0.029 0.000 1.117 209 S HN 0.693 nan 8.310 nan 0.000 0.464 210 K N 2.918 123.428 120.400 0.183 0.000 2.001 210 K HA -0.114 4.292 4.320 0.143 0.000 0.214 210 K C 2.020 178.573 176.600 -0.079 0.000 1.050 210 K CA 3.112 59.327 56.287 -0.120 0.000 0.934 210 K CB -0.868 31.535 32.500 -0.161 0.000 0.718 210 K HN 0.763 nan 8.250 nan 0.000 0.443 211 T N -3.452 111.105 114.554 0.006 0.000 3.043 211 T HA -0.020 4.416 4.350 0.143 0.000 0.263 211 T C 0.830 175.619 174.700 0.148 0.000 1.094 211 T CA 0.584 62.702 62.100 0.030 0.000 1.127 211 T CB -0.366 68.514 68.868 0.019 0.000 0.905 211 T HN 0.272 nan 8.240 nan 0.000 0.490 212 F N 2.001 121.913 119.950 -0.064 0.000 3.018 212 F HA -0.257 4.355 4.527 0.143 0.000 0.287 212 F C 0.906 176.672 175.800 -0.056 0.000 0.813 212 F CA 1.037 58.994 58.000 -0.072 0.000 1.209 212 F CB -1.823 37.127 39.000 -0.085 0.000 1.321 212 F HN 0.524 nan 8.300 nan 0.000 0.477 213 T N -4.450 110.095 114.554 -0.014 0.000 3.144 213 T HA 0.219 4.654 4.350 0.143 0.000 0.290 213 T C 0.520 175.189 174.700 -0.051 0.000 0.966 213 T CA 0.483 62.567 62.100 -0.027 0.000 0.907 213 T CB 0.042 68.923 68.868 0.020 0.000 1.152 213 T HN 0.156 nan 8.240 nan 0.000 0.532 214 T N 3.213 117.721 114.554 -0.076 0.000 2.792 214 T HA 0.054 4.490 4.350 0.143 0.000 0.286 214 T C 1.320 175.976 174.700 -0.073 0.000 0.970 214 T CA 0.025 62.089 62.100 -0.060 0.000 1.187 214 T CB 1.305 70.135 68.868 -0.063 0.000 0.915 214 T HN 0.381 nan 8.240 nan 0.000 0.529 215 Q N 2.913 122.689 119.800 -0.040 0.000 2.029 215 Q HA -0.248 4.178 4.340 0.143 0.000 0.209 215 Q C 1.917 177.894 176.000 -0.038 0.000 0.999 215 Q CA 2.149 57.932 55.803 -0.032 0.000 0.857 215 Q CB 0.002 28.733 28.738 -0.011 0.000 0.926 215 Q HN 0.792 nan 8.270 nan 0.000 0.415 216 E N -0.765 119.418 120.200 -0.028 0.000 2.051 216 E HA -0.158 4.277 4.350 0.143 0.000 0.192 216 E C 2.056 178.632 176.600 -0.041 0.000 0.991 216 E CA 1.862 58.250 56.400 -0.020 0.000 0.799 216 E CB -0.082 29.615 29.700 -0.004 0.000 0.748 216 E HN 0.371 nan 8.360 nan 0.000 0.449 217 T N 1.205 115.718 114.554 -0.068 0.000 2.708 217 T HA -0.112 4.323 4.350 0.143 0.000 0.266 217 T C 1.768 176.361 174.700 -0.180 0.000 1.037 217 T CA 0.861 62.895 62.100 -0.110 0.000 1.146 217 T CB -0.070 68.719 68.868 -0.130 0.000 0.865 217 T HN 0.058 nan 8.240 nan 0.000 0.435 218 I N 1.633 122.072 120.570 -0.218 0.000 2.315 218 I HA -0.088 4.168 4.170 0.143 0.000 0.248 218 I C 2.572 178.621 176.117 -0.112 0.000 1.117 218 I CA 1.299 62.440 61.300 -0.265 0.000 1.404 218 I CB -1.789 36.063 38.000 -0.247 0.000 1.071 218 I HN 0.261 nan 8.210 nan 0.000 0.419 219 T N 1.380 115.897 114.554 -0.061 0.000 2.708 219 T HA -0.127 4.309 4.350 0.143 0.000 0.266 219 T C 1.795 176.495 174.700 0.001 0.000 1.037 219 T CA 1.301 63.393 62.100 -0.013 0.000 1.146 219 T CB -0.199 68.665 68.868 -0.006 0.000 0.865 219 T HN 0.268 nan 8.240 nan 0.000 0.435 220 N N 1.271 119.962 118.700 -0.015 0.000 2.120 220 N HA -0.009 4.816 4.740 0.143 0.000 0.188 220 N C 2.144 177.665 175.510 0.018 0.000 1.024 220 N CA 1.301 54.351 53.050 -0.001 0.000 0.852 220 N CB -0.482 37.998 38.487 -0.011 0.000 1.003 220 N HN 0.414 nan 8.380 nan 0.000 0.424 221 A N 1.477 124.291 122.820 -0.009 0.000 1.902 221 A HA -0.139 4.267 4.320 0.143 0.000 0.217 221 A C 2.147 179.885 177.584 0.257 0.000 1.181 221 A CA 1.376 53.448 52.037 0.059 0.000 0.623 221 A CB -0.318 18.528 19.000 -0.258 0.000 0.818 221 A HN 0.267 nan 8.150 nan 0.000 0.443 222 K N -1.043 119.480 120.400 0.204 0.000 2.097 222 K HA -0.061 4.345 4.320 0.143 0.000 0.205 222 K C 1.998 178.655 176.600 0.096 0.000 1.050 222 K CA 1.572 57.978 56.287 0.199 0.000 0.938 222 K CB -0.306 32.275 32.500 0.136 0.000 0.718 222 K HN 0.430 nan 8.250 nan 0.000 0.442 223 T N 0.997 115.599 114.554 0.079 0.000 2.821 223 T HA -0.086 4.350 4.350 0.143 0.000 0.267 223 T C 1.948 176.710 174.700 0.103 0.000 1.046 223 T CA 1.231 63.374 62.100 0.072 0.000 1.139 223 T CB -0.123 68.772 68.868 0.046 0.000 0.871 223 T HN 0.304 nan 8.240 nan 0.000 0.454 224 A N 1.445 124.310 122.820 0.075 0.000 1.930 224 A HA -0.047 4.359 4.320 0.143 0.000 0.217 224 A C 2.194 179.900 177.584 0.203 0.000 1.175 224 A CA 1.738 53.785 52.037 0.017 0.000 0.627 224 A CB -0.437 18.390 19.000 -0.290 0.000 0.815 224 A HN 0.465 nan 8.150 nan 0.000 0.443 225 K N -0.334 120.136 120.400 0.118 0.000 2.057 225 K HA -0.174 4.232 4.320 0.143 0.000 0.206 225 K C 1.271 177.906 176.600 0.059 0.000 1.050 225 K CA 1.610 57.853 56.287 -0.073 0.000 0.935 225 K CB -0.155 32.071 32.500 -0.458 0.000 0.715 225 K HN 0.365 nan 8.250 nan 0.000 0.439 226 D N -0.095 120.341 120.400 0.061 0.000 2.117 226 D HA -0.195 4.530 4.640 0.143 0.000 0.197 226 D C 1.492 177.856 176.300 0.107 0.000 0.987 226 D CA 1.045 55.074 54.000 0.048 0.000 0.829 226 D CB -0.389 40.440 40.800 0.049 0.000 0.961 226 D HN 0.412 nan 8.370 nan 0.000 0.460 227 W N 1.100 122.409 121.300 0.016 0.000 2.335 227 W HA -0.262 4.484 4.660 0.143 0.000 0.311 227 W C 2.122 178.681 176.519 0.067 0.000 1.213 227 W CA 1.270 58.637 57.345 0.037 0.000 1.274 227 W CB -0.716 28.781 29.460 0.061 0.000 1.148 227 W HN -0.069 nan 8.180 nan 0.000 0.498 228 F N 0.882 120.852 119.950 0.032 0.000 2.046 228 F HA -0.212 4.401 4.527 0.144 0.000 0.297 228 F C 1.976 177.589 175.800 -0.311 0.000 1.123 228 F CA 1.942 59.812 58.000 -0.217 0.000 1.199 228 F CB -1.151 37.945 39.000 0.161 0.000 0.972 228 F HN -0.179 nan 8.300 nan 0.000 0.474 229 L N 0.123 121.152 121.223 -0.324 0.000 2.261 229 L HA -0.185 4.241 4.340 0.143 0.000 0.216 229 L C 2.193 178.821 176.870 -0.403 0.000 1.114 229 L CA 1.077 55.657 54.840 -0.434 0.000 0.777 229 L CB -1.498 40.439 42.059 -0.203 0.000 0.910 229 L HN 0.276 nan 8.230 nan 0.000 0.440 230 L N -1.856 119.159 121.223 -0.346 0.000 2.201 230 L HA -0.143 4.283 4.340 0.143 0.000 0.212 230 L C 2.269 178.936 176.870 -0.337 0.000 1.105 230 L CA 1.427 56.099 54.840 -0.281 0.000 0.775 230 L CB -0.291 41.632 42.059 -0.227 0.000 0.913 230 L HN 0.205 nan 8.230 nan 0.000 0.440 231 S N -1.686 113.721 115.700 -0.489 0.000 2.517 231 S HA 0.195 4.751 4.470 0.143 0.000 0.228 231 S C 1.953 176.262 174.600 -0.485 0.000 1.060 231 S CA 0.438 58.380 58.200 -0.431 0.000 0.937 231 S CB -0.092 62.832 63.200 -0.460 0.000 0.840 231 S HN 0.455 nan 8.310 nan 0.000 0.546 232 A N 1.667 123.954 122.820 -0.890 0.000 1.969 232 A HA -0.052 4.354 4.320 0.143 0.000 0.218 232 A C 1.377 178.556 177.584 -0.675 0.000 1.169 232 A CA 1.635 52.959 52.037 -1.188 0.000 0.635 232 A CB -0.251 17.531 19.000 -2.029 0.000 0.810 232 A HN 0.315 nan 8.150 nan 0.000 0.445 233 K N -1.437 118.657 120.400 -0.510 0.000 6.796 233 K HA -0.203 4.203 4.320 0.143 0.000 0.469 233 K C 0.045 176.496 176.600 -0.248 0.000 0.368 233 K CA 1.764 57.868 56.287 -0.305 0.000 1.945 233 K CB -1.999 30.369 32.500 -0.219 0.000 0.693 233 K HN 0.593 nan 8.250 nan 0.000 0.773 234 D N 2.870 123.119 120.400 -0.252 0.000 2.343 234 D HA 0.173 4.899 4.640 0.143 0.000 0.255 234 D C -1.700 174.529 176.300 -0.118 0.000 1.187 234 D CA -1.844 52.064 54.000 -0.153 0.000 0.875 234 D CB 1.218 41.954 40.800 -0.108 0.000 1.136 234 D HN -0.019 nan 8.370 nan 0.000 0.469 235 P HA -0.119 nan 4.420 nan 0.000 0.222 235 P C 1.230 178.511 177.300 -0.031 0.000 1.147 235 P CA 0.913 63.967 63.100 -0.077 0.000 0.790 235 P CB 0.187 31.832 31.700 -0.091 0.000 0.780 236 S N -1.544 114.150 115.700 -0.011 0.000 2.481 236 S HA -0.106 4.450 4.470 0.143 0.000 0.231 236 S C 1.758 176.411 174.600 0.088 0.000 0.996 236 S CA 1.490 59.705 58.200 0.024 0.000 0.942 236 S CB -1.842 61.368 63.200 0.016 0.000 0.768 236 S HN 0.268 nan 8.310 nan 0.000 0.520 237 T N -0.617 114.014 114.554 0.129 0.000 3.085 237 T HA 0.151 4.587 4.350 0.143 0.000 0.263 237 T C 1.607 176.559 174.700 0.419 0.000 1.127 237 T CA 0.555 62.826 62.100 0.284 0.000 1.103 237 T CB -0.642 68.369 68.868 0.237 0.000 0.921 237 T HN 0.215 nan 8.240 nan 0.000 0.510 238 V N 2.075 122.155 119.914 0.277 0.000 2.392 238 V HA -0.140 4.066 4.120 0.143 0.000 0.249 238 V C 3.191 179.453 176.094 0.280 0.000 1.059 238 V CA 1.681 64.083 62.300 0.169 0.000 1.051 238 V CB -1.409 30.334 31.823 -0.134 0.000 0.658 238 V HN 0.688 nan 8.190 nan 0.000 0.455 239 A N -0.610 122.345 122.820 0.225 0.000 2.131 239 A HA -0.213 4.193 4.320 0.143 0.000 0.220 239 A C 2.208 180.002 177.584 0.351 0.000 1.158 239 A CA 1.679 53.868 52.037 0.253 0.000 0.665 239 A CB -0.366 18.728 19.000 0.157 0.000 0.795 239 A HN 0.602 nan 8.150 nan 0.000 0.460 240 K N -1.656 118.951 120.400 0.345 0.000 2.356 240 K HA 0.087 4.493 4.320 0.143 0.000 0.195 240 K C 0.652 177.420 176.600 0.279 0.000 1.037 240 K CA 0.574 57.044 56.287 0.304 0.000 1.014 240 K CB 0.125 32.720 32.500 0.158 0.000 0.815 240 K HN 0.606 nan 8.250 nan 0.000 0.507 241 H N -1.310 117.999 119.070 0.398 0.000 3.058 241 H HA 0.195 4.837 4.556 0.143 0.000 0.266 241 H C -0.785 174.620 175.328 0.129 0.000 1.135 241 H CA 0.012 56.191 56.048 0.219 0.000 1.174 241 H CB 0.652 30.301 29.762 -0.189 0.000 1.581 241 H HN -0.059 nan 8.280 nan 0.000 0.553 242 F N 1.532 121.653 119.950 0.286 0.000 2.561 242 F HA 0.355 4.969 4.527 0.143 0.000 0.313 242 F C 0.090 176.036 175.800 0.243 0.000 1.126 242 F CA -1.220 56.959 58.000 0.298 0.000 0.918 242 F CB 1.890 41.104 39.000 0.356 0.000 1.199 242 F HN -0.230 nan 8.300 nan 0.000 0.444 243 V N -0.036 120.062 119.914 0.307 0.000 3.074 243 V HA 1.042 5.248 4.120 0.143 0.000 0.314 243 V C -0.980 175.234 176.094 0.200 0.000 1.117 243 V CA -1.175 61.230 62.300 0.175 0.000 1.014 243 V CB 1.583 33.401 31.823 -0.008 0.000 1.057 243 V HN 1.032 nan 8.190 nan 0.000 0.438 244 A N 2.569 125.477 122.820 0.148 0.000 2.414 244 A HA 0.857 5.263 4.320 0.143 0.000 0.306 244 A C -0.862 176.837 177.584 0.193 0.000 1.054 244 A CA -0.754 51.380 52.037 0.161 0.000 0.724 244 A CB 1.571 20.509 19.000 -0.104 0.000 1.267 244 A HN 1.060 nan 8.150 nan 0.000 0.418 245 L N 2.498 123.865 121.223 0.240 0.000 2.321 245 L HA 0.605 5.031 4.340 0.143 0.000 0.272 245 L C 0.317 177.399 176.870 0.354 0.000 1.050 245 L CA -0.083 54.934 54.840 0.295 0.000 0.893 245 L CB 0.165 42.354 42.059 0.217 0.000 1.272 245 L HN 0.755 nan 8.230 nan 0.000 0.435 246 S N 0.590 116.362 115.700 0.119 0.000 2.714 246 S HA 0.485 5.040 4.470 0.143 0.000 0.280 246 S C 0.308 174.723 174.600 -0.309 0.000 1.200 246 S CA 0.372 58.507 58.200 -0.108 0.000 0.900 246 S CB 1.610 64.801 63.200 -0.015 0.000 1.235 246 S HN 0.569 nan 8.310 nan 0.000 0.512 247 T N -1.051 113.304 114.554 -0.331 0.000 3.009 247 T HA 0.338 4.774 4.350 0.143 0.000 0.267 247 T C 0.153 174.721 174.700 -0.221 0.000 0.942 247 T CA -0.120 61.793 62.100 -0.311 0.000 0.883 247 T CB -0.393 68.253 68.868 -0.370 0.000 1.192 247 T HN 0.393 nan 8.240 nan 0.000 0.524 248 N N 3.610 122.192 118.700 -0.196 0.000 2.819 248 N HA 0.062 4.888 4.740 0.143 0.000 0.284 248 N C 1.590 176.985 175.510 -0.191 0.000 1.196 248 N CA 0.725 53.689 53.050 -0.142 0.000 1.114 248 N CB 0.896 39.350 38.487 -0.054 0.000 1.437 248 N HN 0.605 nan 8.380 nan 0.000 0.518 249 T N 0.265 114.720 114.554 -0.165 0.000 2.653 249 T HA -0.246 4.190 4.350 0.143 0.000 0.268 249 T C 1.802 176.428 174.700 -0.124 0.000 1.035 249 T CA 1.498 63.503 62.100 -0.158 0.000 1.154 249 T CB -0.301 68.499 68.868 -0.113 0.000 0.862 249 T HN 0.301 nan 8.240 nan 0.000 0.441 250 A N 2.425 125.199 122.820 -0.077 0.000 1.865 250 A HA -0.106 4.300 4.320 0.143 0.000 0.217 250 A C 2.496 180.070 177.584 -0.017 0.000 1.191 250 A CA 1.847 53.862 52.037 -0.037 0.000 0.623 250 A CB -0.594 18.397 19.000 -0.016 0.000 0.826 250 A HN 0.433 nan 8.150 nan 0.000 0.444 251 K N -0.254 120.143 120.400 -0.005 0.000 2.147 251 K HA -0.050 4.356 4.320 0.143 0.000 0.205 251 K C 1.995 178.632 176.600 0.062 0.000 1.049 251 K CA 1.269 57.611 56.287 0.091 0.000 0.936 251 K CB -0.898 31.716 32.500 0.189 0.000 0.722 251 K HN 0.381 nan 8.250 nan 0.000 0.446 252 V N 1.366 121.122 119.914 -0.263 0.000 2.307 252 V HA -0.192 4.014 4.120 0.143 0.000 0.245 252 V C 2.522 178.575 176.094 -0.069 0.000 1.045 252 V CA 1.638 63.657 62.300 -0.468 0.000 1.024 252 V CB -0.365 31.064 31.823 -0.657 0.000 0.651 252 V HN 0.327 nan 8.190 nan 0.000 0.449 253 K N 0.122 120.486 120.400 -0.059 0.000 2.097 253 K HA -0.227 4.179 4.320 0.143 0.000 0.205 253 K C 2.215 178.839 176.600 0.040 0.000 1.050 253 K CA 1.701 57.984 56.287 -0.006 0.000 0.938 253 K CB -0.085 32.398 32.500 -0.027 0.000 0.718 253 K HN 0.579 nan 8.250 nan 0.000 0.442 254 E N -0.381 119.857 120.200 0.063 0.000 2.150 254 E HA -0.201 4.235 4.350 0.143 0.000 0.193 254 E C 1.661 178.332 176.600 0.119 0.000 0.985 254 E CA 0.778 57.224 56.400 0.077 0.000 0.814 254 E CB -0.125 29.628 29.700 0.088 0.000 0.752 254 E HN 0.351 nan 8.360 nan 0.000 0.466 255 F N -0.001 119.977 119.950 0.046 0.000 2.325 255 F HA 0.086 4.699 4.527 0.144 0.000 0.299 255 F C 1.406 177.194 175.800 -0.019 0.000 1.090 255 F CA 1.772 59.807 58.000 0.058 0.000 1.392 255 F CB 0.396 39.531 39.000 0.224 0.000 1.053 255 F HN 0.164 nan 8.300 nan 0.000 0.521 256 G N 0.607 109.411 108.800 0.007 0.000 2.183 256 G HA2 -0.165 3.881 3.960 0.143 0.000 0.168 256 G HA3 -0.165 3.881 3.960 0.143 0.000 0.168 256 G C 0.139 175.068 174.900 0.048 0.000 1.008 256 G CA -0.049 45.002 45.100 -0.080 0.000 0.677 256 G HN 0.295 nan 8.290 nan 0.000 0.498 257 I N 1.091 121.760 120.570 0.165 0.000 2.488 257 I HA 0.343 4.599 4.170 0.143 0.000 0.299 257 I C -0.171 175.992 176.117 0.077 0.000 0.984 257 I CA -0.794 60.615 61.300 0.181 0.000 1.250 257 I CB 1.363 39.499 38.000 0.227 0.000 1.389 257 I HN 0.016 nan 8.210 nan 0.000 0.488 258 D N 6.812 127.258 120.400 0.078 0.000 2.317 258 D HA 0.169 4.895 4.640 0.143 0.000 0.252 258 D C -1.802 174.473 176.300 -0.040 0.000 1.174 258 D CA -2.109 51.908 54.000 0.028 0.000 0.866 258 D CB 1.782 42.619 40.800 0.062 0.000 1.127 258 D HN 0.145 nan 8.370 nan 0.000 0.467 259 P HA -0.168 nan 4.420 nan 0.000 0.218 259 P C 1.153 178.358 177.300 -0.158 0.000 1.146 259 P CA 1.039 64.065 63.100 -0.122 0.000 0.820 259 P CB 0.293 31.935 31.700 -0.095 0.000 0.778 260 Q N -0.910 118.820 119.800 -0.116 0.000 2.226 260 Q HA -0.091 4.335 4.340 0.143 0.000 0.204 260 Q C 0.861 176.701 176.000 -0.267 0.000 0.975 260 Q CA 1.160 56.882 55.803 -0.135 0.000 0.866 260 Q CB -0.876 27.836 28.738 -0.043 0.000 0.915 260 Q HN 0.547 nan 8.270 nan 0.000 0.440 261 N N 0.016 118.567 118.700 -0.248 0.000 2.320 261 N HA 0.178 5.004 4.740 0.143 0.000 0.237 261 N C -0.261 174.936 175.510 -0.522 0.000 1.129 261 N CA -0.206 52.599 53.050 -0.409 0.000 0.854 261 N CB 0.333 38.770 38.487 -0.084 0.000 1.083 261 N HN 0.105 nan 8.380 nan 0.000 0.504 262 M N 1.539 120.804 119.600 -0.558 0.000 2.066 262 M HA 0.350 4.915 4.480 0.143 0.000 0.340 262 M C -1.534 174.458 176.300 -0.514 0.000 1.053 262 M CA -0.650 54.414 55.300 -0.395 0.000 0.983 262 M CB 0.455 32.878 32.600 -0.295 0.000 1.520 262 M HN -0.117 nan 8.290 nan 0.000 0.428 263 F N 4.285 124.156 119.950 -0.131 0.000 2.405 263 F HA 0.356 4.969 4.527 0.143 0.000 0.355 263 F C 0.542 176.304 175.800 -0.063 0.000 1.121 263 F CA -0.590 57.358 58.000 -0.086 0.000 1.112 263 F CB 0.748 39.705 39.000 -0.072 0.000 1.126 263 F HN 0.508 nan 8.300 nan 0.000 0.481 264 E N 3.752 123.932 120.200 -0.035 0.000 2.227 264 E HA 0.715 5.150 4.350 0.143 0.000 0.268 264 E C -1.120 175.191 176.600 -0.482 0.000 0.990 264 E CA -0.671 55.566 56.400 -0.271 0.000 0.856 264 E CB 2.156 31.595 29.700 -0.435 0.000 1.159 264 E HN 0.516 nan 8.360 nan 0.000 0.401 265 F N -2.053 117.334 119.950 -0.939 0.000 2.790 265 F HA 0.711 5.325 4.527 0.144 0.000 0.337 265 F C -0.668 174.295 175.800 -1.394 0.000 1.163 265 F CA -1.258 55.957 58.000 -1.307 0.000 0.997 265 F CB 1.202 39.926 39.000 -0.459 0.000 1.437 265 F HN 0.366 nan 8.300 nan 0.000 0.512 266 W N 0.554 121.598 121.300 -0.426 0.000 2.967 266 W HA 0.207 4.953 4.660 0.143 0.000 0.342 266 W C 0.126 176.305 176.519 -0.567 0.000 1.162 266 W CA -0.276 56.638 57.345 -0.719 0.000 1.085 266 W CB 1.178 29.821 29.460 -1.361 0.000 1.460 266 W HN 0.709 nan 8.180 nan 0.000 0.584 267 D N -0.986 119.287 120.400 -0.211 0.000 2.264 267 D HA -0.191 4.535 4.640 0.143 0.000 0.208 267 D C 1.409 177.761 176.300 0.086 0.000 0.966 267 D CA 1.158 55.138 54.000 -0.034 0.000 0.864 267 D CB -0.519 40.308 40.800 0.046 0.000 0.933 267 D HN 0.461 nan 8.370 nan 0.000 0.499 268 W N 0.474 121.904 121.300 0.216 0.000 3.377 268 W HA 0.392 5.138 4.660 0.143 0.000 0.277 268 W C -0.672 175.961 176.519 0.190 0.000 1.311 268 W CA -0.639 56.788 57.345 0.136 0.000 1.703 268 W CB -0.429 29.061 29.460 0.050 0.000 1.095 268 W HN -0.227 nan 8.180 nan 0.000 0.715 269 V N 2.387 122.459 119.914 0.264 0.000 2.275 269 V HA 0.441 4.647 4.120 0.143 0.000 0.272 269 V C 0.920 177.218 176.094 0.340 0.000 1.028 269 V CA -0.692 61.821 62.300 0.354 0.000 0.810 269 V CB 0.417 32.427 31.823 0.313 0.000 1.043 269 V HN 0.140 nan 8.190 nan 0.000 0.453 270 G N 3.045 112.084 108.800 0.397 0.000 2.491 270 G HA2 0.386 4.431 3.960 0.143 0.000 0.242 270 G HA3 0.386 4.431 3.960 0.143 0.000 0.242 270 G C 1.136 176.218 174.900 0.303 0.000 1.266 270 G CA 0.241 45.574 45.100 0.389 0.000 0.844 270 G HN 0.841 nan 8.290 nan 0.000 0.571 271 G N 1.751 110.663 108.800 0.186 0.000 2.476 271 G HA2 -0.276 3.770 3.960 0.143 0.000 0.218 271 G HA3 -0.276 3.770 3.960 0.143 0.000 0.218 271 G C 1.673 176.569 174.900 -0.006 0.000 1.164 271 G CA 0.920 46.067 45.100 0.078 0.000 0.768 271 G HN 0.791 nan 8.290 nan 0.000 0.560 272 R N -0.856 119.600 120.500 -0.074 0.000 2.339 272 R HA 0.118 4.543 4.340 0.143 0.000 0.199 272 R C 0.239 176.249 176.300 -0.482 0.000 1.018 272 R CA 0.606 56.496 56.100 -0.349 0.000 1.036 272 R CB -0.308 29.695 30.300 -0.496 0.000 0.899 272 R HN 0.474 nan 8.270 nan 0.000 0.473 273 Y N 0.309 120.636 120.300 0.044 0.000 2.696 273 Y HA 0.197 4.832 4.550 0.142 0.000 0.255 273 Y C 0.945 177.000 175.900 0.259 0.000 1.103 273 Y CA -0.467 57.704 58.100 0.118 0.000 1.126 273 Y CB 1.251 39.656 38.460 -0.092 0.000 1.197 273 Y HN 0.185 nan 8.280 nan 0.000 0.574 274 S N -0.970 114.847 115.700 0.194 0.000 2.539 274 S HA 0.006 4.562 4.470 0.143 0.000 0.221 274 S C 1.523 176.088 174.600 -0.058 0.000 0.987 274 S CA -0.072 58.183 58.200 0.092 0.000 0.929 274 S CB -0.481 62.654 63.200 -0.110 0.000 0.832 274 S HN 0.426 nan 8.310 nan 0.000 0.492 275 L N -1.516 119.571 121.223 -0.226 0.000 2.353 275 L HA 0.307 4.733 4.340 0.143 0.000 0.220 275 L C 1.684 178.399 176.870 -0.259 0.000 1.133 275 L CA 0.867 55.495 54.840 -0.354 0.000 0.798 275 L CB -1.489 40.235 42.059 -0.557 0.000 0.922 275 L HN 0.366 nan 8.230 nan 0.000 0.445 276 W N 0.646 122.006 121.300 0.100 0.000 2.905 276 W HA 0.242 4.989 4.660 0.145 0.000 0.251 276 W C 1.831 178.484 176.519 0.223 0.000 1.305 276 W CA 0.358 57.773 57.345 0.116 0.000 1.465 276 W CB -0.696 28.817 29.460 0.089 0.000 1.122 276 W HN 0.360 nan 8.180 nan 0.000 0.659 277 S N 0.296 116.197 115.700 0.335 0.000 2.521 277 S HA 0.655 5.211 4.470 0.143 0.000 0.278 277 S C 1.668 176.355 174.600 0.146 0.000 1.140 277 S CA -0.059 58.304 58.200 0.272 0.000 1.028 277 S CB 0.299 63.585 63.200 0.143 0.000 1.203 277 S HN 0.007 nan 8.310 nan 0.000 0.491 278 A N 0.318 123.172 122.820 0.055 0.000 2.024 278 A HA -0.016 4.390 4.320 0.143 0.000 0.220 278 A C 2.079 179.572 177.584 -0.151 0.000 1.164 278 A CA 1.337 53.377 52.037 0.005 0.000 0.643 278 A CB -1.179 17.903 19.000 0.137 0.000 0.806 278 A HN 0.699 nan 8.150 nan 0.000 0.451 279 I N 0.050 120.440 120.570 -0.299 0.000 2.423 279 I HA -0.207 4.049 4.170 0.143 0.000 0.254 279 I C 2.284 178.295 176.117 -0.177 0.000 1.151 279 I CA 1.470 62.597 61.300 -0.289 0.000 1.421 279 I CB -1.691 36.079 38.000 -0.383 0.000 1.079 279 I HN 0.374 nan 8.210 nan 0.000 0.431 280 G N 0.195 108.914 108.800 -0.134 0.000 3.124 280 G HA2 -0.013 4.033 3.960 0.143 0.000 0.212 280 G HA3 -0.013 4.033 3.960 0.143 0.000 0.212 280 G C 1.537 176.206 174.900 -0.385 0.000 1.181 280 G CA -0.183 44.824 45.100 -0.154 0.000 0.803 280 G HN 0.255 nan 8.290 nan 0.000 0.529 281 L N 2.008 123.034 121.223 -0.329 0.000 2.042 281 L HA -0.149 4.277 4.340 0.143 0.000 0.210 281 L C 3.032 179.732 176.870 -0.283 0.000 1.076 281 L CA 2.635 57.253 54.840 -0.370 0.000 0.749 281 L CB -0.657 41.161 42.059 -0.402 0.000 0.893 281 L HN 0.313 nan 8.230 nan 0.000 0.432 282 S N -1.083 114.500 115.700 -0.195 0.000 2.419 282 S HA -0.189 4.367 4.470 0.143 0.000 0.233 282 S C 2.037 176.591 174.600 -0.076 0.000 1.016 282 S CA 1.525 59.642 58.200 -0.138 0.000 0.974 282 S CB -0.988 62.143 63.200 -0.115 0.000 0.786 282 S HN 0.538 nan 8.310 nan 0.000 0.492 283 I N 2.255 122.760 120.570 -0.107 0.000 2.163 283 I HA -0.111 4.145 4.170 0.143 0.000 0.240 283 I C 3.121 179.174 176.117 -0.105 0.000 1.081 283 I CA 1.121 62.391 61.300 -0.050 0.000 1.353 283 I CB -0.783 37.201 38.000 -0.026 0.000 1.054 283 I HN 0.404 nan 8.210 nan 0.000 0.407 284 A N 1.005 123.593 122.820 -0.386 0.000 1.908 284 A HA -0.184 4.221 4.320 0.143 0.000 0.218 284 A C 2.316 179.851 177.584 -0.082 0.000 1.181 284 A CA 1.526 53.366 52.037 -0.329 0.000 0.627 284 A CB -0.956 17.724 19.000 -0.533 0.000 0.818 284 A HN 0.394 nan 8.150 nan 0.000 0.445 285 L N -1.788 119.379 121.223 -0.093 0.000 2.131 285 L HA -0.207 4.219 4.340 0.143 0.000 0.210 285 L C 2.647 179.534 176.870 0.029 0.000 1.092 285 L CA 1.661 56.467 54.840 -0.056 0.000 0.759 285 L CB -0.521 41.475 42.059 -0.104 0.000 0.903 285 L HN 0.629 nan 8.230 nan 0.000 0.435 286 H N -0.694 118.336 119.070 -0.068 0.000 2.355 286 H HA -0.056 4.586 4.556 0.143 0.000 0.303 286 H C 1.855 177.180 175.328 -0.005 0.000 1.061 286 H CA 1.725 57.753 56.048 -0.034 0.000 1.368 286 H CB 0.622 30.375 29.762 -0.015 0.000 1.412 286 H HN 0.264 nan 8.280 nan 0.000 0.523 287 V N -2.205 117.710 119.914 0.002 0.000 3.578 287 V HA 0.458 4.664 4.120 0.143 0.000 0.290 287 V C 0.685 176.792 176.094 0.022 0.000 1.376 287 V CA 0.394 62.675 62.300 -0.030 0.000 1.083 287 V CB 0.154 31.984 31.823 0.012 0.000 0.911 287 V HN 0.602 nan 8.190 nan 0.000 0.433 288 G N -0.167 108.656 108.800 0.038 0.000 2.690 288 G HA2 -0.214 3.832 3.960 0.143 0.000 0.686 288 G HA3 -0.214 3.832 3.960 0.143 0.000 0.686 288 G C -0.415 174.571 174.900 0.144 0.000 1.277 288 G CA -0.006 45.148 45.100 0.089 0.000 0.799 288 G HN 0.236 nan 8.290 nan 0.000 0.613 289 F N 0.433 120.421 119.950 0.063 0.000 2.259 289 F HA 0.062 4.676 4.527 0.145 0.000 0.298 289 F C 2.433 178.329 175.800 0.160 0.000 1.088 289 F CA 1.975 60.056 58.000 0.135 0.000 1.358 289 F CB 0.152 39.217 39.000 0.108 0.000 1.040 289 F HN 0.520 nan 8.300 nan 0.000 0.505 290 D N -0.130 120.400 120.400 0.216 0.000 2.117 290 D HA -0.181 4.545 4.640 0.143 0.000 0.197 290 D C 1.879 178.208 176.300 0.047 0.000 0.987 290 D CA 1.091 55.169 54.000 0.130 0.000 0.829 290 D CB -0.423 40.441 40.800 0.107 0.000 0.961 290 D HN 0.254 nan 8.370 nan 0.000 0.460 291 N N 0.104 118.825 118.700 0.035 0.000 2.188 291 N HA -0.126 4.700 4.740 0.143 0.000 0.184 291 N C 1.677 177.160 175.510 -0.044 0.000 1.018 291 N CA 0.258 53.290 53.050 -0.031 0.000 0.858 291 N CB -0.420 38.047 38.487 -0.033 0.000 0.989 291 N HN 0.162 nan 8.380 nan 0.000 0.426 292 F N 2.389 122.212 119.950 -0.211 0.000 2.146 292 F HA -0.059 4.556 4.527 0.147 0.000 0.298 292 F C 2.042 177.689 175.800 -0.255 0.000 1.096 292 F CA 1.270 59.090 58.000 -0.300 0.000 1.275 292 F CB -0.114 38.555 39.000 -0.552 0.000 1.008 292 F HN 0.030 nan 8.300 nan 0.000 0.480 293 E N -0.607 119.442 120.200 -0.253 0.000 2.204 293 E HA -0.195 4.241 4.350 0.143 0.000 0.194 293 E C 2.103 178.624 176.600 -0.131 0.000 0.989 293 E CA 0.745 57.024 56.400 -0.202 0.000 0.824 293 E CB -0.147 29.550 29.700 -0.006 0.000 0.756 293 E HN 0.490 nan 8.360 nan 0.000 0.477 294 Q N 0.402 120.144 119.800 -0.096 0.000 2.123 294 Q HA -0.117 4.308 4.340 0.143 0.000 0.199 294 Q C 2.353 178.311 176.000 -0.070 0.000 0.966 294 Q CA 0.661 56.448 55.803 -0.026 0.000 0.845 294 Q CB -0.248 28.463 28.738 -0.045 0.000 0.907 294 Q HN 0.257 nan 8.270 nan 0.000 0.439 295 L N 0.469 121.592 121.223 -0.167 0.000 2.017 295 L HA -0.181 4.245 4.340 0.143 0.000 0.208 295 L C 1.968 178.790 176.870 -0.080 0.000 1.073 295 L CA 1.416 56.162 54.840 -0.156 0.000 0.745 295 L CB -0.655 41.272 42.059 -0.220 0.000 0.894 295 L HN 0.101 nan 8.230 nan 0.000 0.432 296 L N -0.716 120.394 121.223 -0.189 0.000 2.046 296 L HA -0.143 4.283 4.340 0.143 0.000 0.208 296 L C 2.606 179.421 176.870 -0.091 0.000 1.077 296 L CA 1.788 56.560 54.840 -0.114 0.000 0.747 296 L CB -1.349 40.576 42.059 -0.223 0.000 0.896 296 L HN 0.248 nan 8.230 nan 0.000 0.432 297 S N -0.436 115.229 115.700 -0.057 0.000 2.382 297 S HA -0.118 4.437 4.470 0.143 0.000 0.228 297 S C 2.065 176.589 174.600 -0.126 0.000 1.027 297 S CA 1.058 59.303 58.200 0.075 0.000 0.991 297 S CB -0.724 62.614 63.200 0.229 0.000 0.823 297 S HN 0.592 nan 8.310 nan 0.000 0.469 298 G N 1.444 109.850 108.800 -0.657 0.000 2.421 298 G HA2 -0.061 3.985 3.960 0.143 0.000 0.216 298 G HA3 -0.061 3.985 3.960 0.143 0.000 0.216 298 G C 1.572 176.206 174.900 -0.444 0.000 1.171 298 G CA 0.858 45.152 45.100 -1.344 0.000 0.775 298 G HN 0.574 nan 8.290 nan 0.000 0.543 299 A N 0.323 122.988 122.820 -0.259 0.000 1.902 299 A HA -0.102 4.304 4.320 0.143 0.000 0.217 299 A C 2.121 179.650 177.584 -0.093 0.000 1.181 299 A CA 2.122 54.004 52.037 -0.259 0.000 0.623 299 A CB -0.776 17.761 19.000 -0.772 0.000 0.818 299 A HN 0.516 nan 8.150 nan 0.000 0.443 300 H N -2.174 116.820 119.070 -0.126 0.000 2.353 300 H HA -0.203 4.443 4.556 0.150 0.000 0.300 300 H C 1.749 177.130 175.328 0.089 0.000 1.090 300 H CA 2.090 58.131 56.048 -0.011 0.000 1.327 300 H CB -0.488 29.282 29.762 0.012 0.000 1.383 300 H HN 0.680 nan 8.280 nan 0.000 0.508 301 W N 0.201 121.464 121.300 -0.062 0.000 2.335 301 W HA -0.270 4.409 4.660 0.032 0.000 0.311 301 W C 2.351 178.868 176.519 -0.002 0.000 1.213 301 W CA 2.014 59.349 57.345 -0.017 0.000 1.274 301 W CB -0.319 29.225 29.460 0.141 0.000 1.148 301 W HN 0.306 nan 8.180 nan 0.000 0.498 302 M N 0.904 120.717 119.600 0.356 0.000 2.229 302 M HA -0.156 4.410 4.480 0.143 0.000 0.264 302 M C 1.365 177.798 176.300 0.223 0.000 1.063 302 M CA 1.998 57.490 55.300 0.320 0.000 1.114 302 M CB -0.804 31.974 32.600 0.296 0.000 1.387 302 M HN -0.127 nan 8.290 nan 0.000 0.420 303 D N -0.299 120.215 120.400 0.189 0.000 2.117 303 D HA -0.171 4.555 4.640 0.143 0.000 0.197 303 D C 1.990 178.315 176.300 0.041 0.000 0.987 303 D CA 1.140 55.345 54.000 0.342 0.000 0.829 303 D CB -0.257 40.736 40.800 0.321 0.000 0.961 303 D HN 0.424 nan 8.370 nan 0.000 0.460 304 Q N -0.147 119.509 119.800 -0.239 0.000 2.119 304 Q HA -0.150 4.276 4.340 0.143 0.000 0.201 304 Q C 2.092 177.855 176.000 -0.393 0.000 0.972 304 Q CA 1.044 56.607 55.803 -0.399 0.000 0.847 304 Q CB -0.706 27.721 28.738 -0.517 0.000 0.903 304 Q HN 0.553 nan 8.270 nan 0.000 0.433 305 H N 0.276 119.036 119.070 -0.517 0.000 2.319 305 H HA -0.164 4.457 4.556 0.108 0.000 0.299 305 H C 1.718 176.953 175.328 -0.156 0.000 1.092 305 H CA 1.819 57.609 56.048 -0.431 0.000 1.302 305 H CB -0.408 29.074 29.762 -0.467 0.000 1.373 305 H HN 0.186 nan 8.280 nan 0.000 0.497 306 F N 1.260 121.056 119.950 -0.256 0.000 2.134 306 F HA -0.097 4.510 4.527 0.134 0.000 0.299 306 F C 2.664 178.229 175.800 -0.392 0.000 1.097 306 F CA 1.918 59.754 58.000 -0.273 0.000 1.264 306 F CB -0.522 38.364 39.000 -0.190 0.000 1.001 306 F HN 0.117 nan 8.300 nan 0.000 0.479 307 R N -0.567 119.558 120.500 -0.626 0.000 2.119 307 R HA -0.070 4.355 4.340 0.143 0.000 0.222 307 R C 1.926 177.869 176.300 -0.595 0.000 1.088 307 R CA 1.721 57.307 56.100 -0.857 0.000 0.984 307 R CB -0.303 29.360 30.300 -1.062 0.000 0.884 307 R HN 0.462 nan 8.270 nan 0.000 0.447 308 T N -3.261 111.010 114.554 -0.472 0.000 3.022 308 T HA 0.150 4.586 4.350 0.143 0.000 0.250 308 T C 0.460 174.969 174.700 -0.317 0.000 1.060 308 T CA -0.191 61.691 62.100 -0.363 0.000 1.013 308 T CB 0.428 69.110 68.868 -0.309 0.000 0.982 308 T HN -0.090 nan 8.240 nan 0.000 0.508 309 T N 4.531 118.859 114.554 -0.377 0.000 2.817 309 T HA 0.451 4.887 4.350 0.143 0.000 0.293 309 T C -2.632 171.919 174.700 -0.250 0.000 0.964 309 T CA -1.043 60.862 62.100 -0.326 0.000 1.085 309 T CB 1.170 69.731 68.868 -0.512 0.000 0.921 309 T HN 0.118 nan 8.240 nan 0.000 0.502 310 P HA 0.110 nan 4.420 nan 0.000 0.266 310 P C 1.082 178.306 177.300 -0.126 0.000 1.195 310 P CA -0.145 62.870 63.100 -0.143 0.000 0.768 310 P CB 0.441 32.072 31.700 -0.115 0.000 0.838 311 L N 1.801 122.958 121.223 -0.109 0.000 2.051 311 L HA -0.280 4.145 4.340 0.143 0.000 0.214 311 L C 1.889 178.716 176.870 -0.071 0.000 1.076 311 L CA 1.770 56.563 54.840 -0.078 0.000 0.758 311 L CB -0.823 41.198 42.059 -0.064 0.000 0.890 311 L HN 0.403 nan 8.230 nan 0.000 0.433 312 E N 0.074 120.223 120.200 -0.085 0.000 2.219 312 E HA -0.168 4.267 4.350 0.143 0.000 0.198 312 E C 1.327 177.892 176.600 -0.058 0.000 0.998 312 E CA 1.073 57.419 56.400 -0.089 0.000 0.818 312 E CB -0.020 29.610 29.700 -0.116 0.000 0.741 312 E HN 0.269 nan 8.360 nan 0.000 0.477 313 K N 0.160 120.536 120.400 -0.040 0.000 2.506 313 K HA 0.147 4.553 4.320 0.143 0.000 0.204 313 K C -0.167 176.469 176.600 0.059 0.000 1.045 313 K CA -0.211 56.089 56.287 0.021 0.000 1.074 313 K CB 0.387 32.900 32.500 0.021 0.000 0.842 313 K HN -0.030 nan 8.250 nan 0.000 0.514 314 N N 1.502 120.206 118.700 0.006 0.000 2.420 314 N HA 0.148 4.974 4.740 0.143 0.000 0.249 314 N C 0.828 176.439 175.510 0.168 0.000 1.033 314 N CA 0.144 53.206 53.050 0.019 0.000 0.944 314 N CB 1.485 39.956 38.487 -0.026 0.000 1.113 314 N HN 0.087 nan 8.380 nan 0.000 0.502 315 A N 7.310 130.383 122.820 0.421 0.000 1.859 315 A HA -0.124 4.282 4.320 0.143 0.000 0.218 315 A C -0.505 177.153 177.584 0.123 0.000 1.209 315 A CA 1.529 53.713 52.037 0.244 0.000 0.639 315 A CB -1.410 17.726 19.000 0.227 0.000 0.835 315 A HN 0.648 nan 8.150 nan 0.000 0.450 316 P HA -0.091 nan 4.420 nan 0.000 0.217 316 P C 1.599 178.929 177.300 0.050 0.000 1.150 316 P CA 1.635 64.759 63.100 0.040 0.000 0.832 316 P CB -0.273 31.379 31.700 -0.079 0.000 0.787 317 V N 0.381 120.359 119.914 0.107 0.000 2.358 317 V HA -0.206 4.000 4.120 0.143 0.000 0.246 317 V C 2.860 178.952 176.094 -0.002 0.000 1.047 317 V CA 1.488 63.840 62.300 0.086 0.000 1.035 317 V CB -1.226 30.661 31.823 0.106 0.000 0.658 317 V HN 0.003 nan 8.190 nan 0.000 0.452 318 L N -0.743 120.452 121.223 -0.047 0.000 2.017 318 L HA -0.187 4.238 4.340 0.143 0.000 0.208 318 L C 2.428 179.229 176.870 -0.115 0.000 1.073 318 L CA 1.562 56.303 54.840 -0.166 0.000 0.745 318 L CB -0.542 41.317 42.059 -0.335 0.000 0.894 318 L HN 0.295 nan 8.230 nan 0.000 0.432 319 L N -0.533 120.668 121.223 -0.036 0.000 2.046 319 L HA -0.197 4.228 4.340 0.143 0.000 0.208 319 L C 2.896 179.809 176.870 0.073 0.000 1.077 319 L CA 1.157 56.028 54.840 0.051 0.000 0.747 319 L CB -0.774 41.336 42.059 0.086 0.000 0.896 319 L HN 0.245 nan 8.230 nan 0.000 0.432 320 A N -0.196 122.646 122.820 0.037 0.000 1.877 320 A HA -0.217 4.189 4.320 0.143 0.000 0.216 320 A C 2.260 179.835 177.584 -0.015 0.000 1.186 320 A CA 1.685 53.726 52.037 0.006 0.000 0.620 320 A CB -0.380 18.604 19.000 -0.027 0.000 0.822 320 A HN 0.282 nan 8.150 nan 0.000 0.443 321 M N -0.458 119.128 119.600 -0.024 0.000 2.229 321 M HA 0.049 4.615 4.480 0.143 0.000 0.264 321 M C 2.042 178.361 176.300 0.033 0.000 1.063 321 M CA 0.937 56.226 55.300 -0.018 0.000 1.114 321 M CB -1.464 31.106 32.600 -0.050 0.000 1.387 321 M HN 0.361 nan 8.290 nan 0.000 0.420 322 L N -0.663 120.580 121.223 0.033 0.000 2.093 322 L HA -0.100 4.326 4.340 0.143 0.000 0.208 322 L C 2.566 179.529 176.870 0.155 0.000 1.085 322 L CA 1.185 56.062 54.840 0.061 0.000 0.755 322 L CB -1.148 40.989 42.059 0.131 0.000 0.904 322 L HN 0.374 nan 8.230 nan 0.000 0.435 323 G N 0.114 109.046 108.800 0.220 0.000 2.408 323 G HA2 -0.196 3.850 3.960 0.143 0.000 0.217 323 G HA3 -0.196 3.850 3.960 0.143 0.000 0.217 323 G C 1.518 176.604 174.900 0.309 0.000 1.150 323 G CA 0.286 45.572 45.100 0.310 0.000 0.776 323 G HN 0.140 nan 8.290 nan 0.000 0.542 324 I N -0.037 120.659 120.570 0.210 0.000 2.286 324 I HA -0.131 4.125 4.170 0.143 0.000 0.248 324 I C 2.367 178.694 176.117 0.349 0.000 1.115 324 I CA 0.666 62.118 61.300 0.255 0.000 1.392 324 I CB -1.031 37.031 38.000 0.103 0.000 1.065 324 I HN 0.475 nan 8.210 nan 0.000 0.418 325 W N 1.309 122.638 121.300 0.047 0.000 2.333 325 W HA -0.315 4.432 4.660 0.146 0.000 0.316 325 W C 2.521 179.140 176.519 0.166 0.000 1.215 325 W CA 1.422 58.773 57.345 0.010 0.000 1.278 325 W CB -0.439 28.906 29.460 -0.192 0.000 1.154 325 W HN 0.084 nan 8.180 nan 0.000 0.486 326 Y N 0.448 120.958 120.300 0.351 0.000 2.263 326 Y HA -0.141 4.494 4.550 0.142 0.000 0.292 326 Y C 2.449 178.474 175.900 0.208 0.000 1.130 326 Y CA 1.392 59.629 58.100 0.228 0.000 1.179 326 Y CB -1.127 37.439 38.460 0.176 0.000 0.998 326 Y HN -0.073 nan 8.280 nan 0.000 0.532 327 I N -0.153 120.648 120.570 0.385 0.000 2.235 327 I HA -0.258 3.998 4.170 0.143 0.000 0.241 327 I C 1.371 177.639 176.117 0.251 0.000 1.085 327 I CA 1.614 63.108 61.300 0.323 0.000 1.378 327 I CB -0.341 37.915 38.000 0.427 0.000 1.076 327 I HN 0.151 nan 8.210 nan 0.000 0.415 328 N N -0.855 118.022 118.700 0.295 0.000 2.424 328 N HA -0.017 4.809 4.740 0.143 0.000 0.178 328 N C 1.496 177.043 175.510 0.061 0.000 1.060 328 N CA 0.524 53.738 53.050 0.273 0.000 0.901 328 N CB 0.201 38.989 38.487 0.501 0.000 0.979 328 N HN 0.303 nan 8.380 nan 0.000 0.451 329 C N -1.195 118.017 119.300 -0.147 0.000 2.406 329 C HA 0.271 4.817 4.460 0.143 0.000 0.343 329 C C 1.768 176.216 174.990 -0.904 0.000 1.397 329 C CA -0.191 58.416 59.018 -0.686 0.000 2.069 329 C CB -0.774 26.331 27.740 -1.058 0.000 2.374 329 C HN 0.358 nan 8.230 nan 0.000 0.545 330 F N 1.108 120.787 119.950 -0.452 0.000 2.664 330 F HA 0.250 4.863 4.527 0.143 0.000 0.296 330 F C 2.032 177.803 175.800 -0.049 0.000 1.125 330 F CA 1.264 59.159 58.000 -0.175 0.000 1.444 330 F CB -0.280 38.722 39.000 0.003 0.000 1.114 330 F HN 0.382 nan 8.300 nan 0.000 0.576 331 G N 0.215 109.088 108.800 0.122 0.000 2.160 331 G HA2 -0.300 3.746 3.960 0.143 0.000 0.244 331 G HA3 -0.300 3.746 3.960 0.143 0.000 0.244 331 G C -0.080 174.896 174.900 0.128 0.000 1.022 331 G CA -0.099 45.064 45.100 0.105 0.000 0.741 331 G HN 0.294 nan 8.290 nan 0.000 0.508 332 C N 0.625 120.030 119.300 0.175 0.000 2.566 332 C HA 0.331 4.877 4.460 0.143 0.000 0.393 332 C C 1.844 176.909 174.990 0.125 0.000 1.309 332 C CA -0.121 58.981 59.018 0.139 0.000 1.801 332 C CB 0.361 28.185 27.740 0.139 0.000 2.493 332 C HN 0.632 nan 8.230 nan 0.000 0.575 333 E N 0.720 120.970 120.200 0.083 0.000 2.208 333 E HA -0.083 4.353 4.350 0.143 0.000 0.193 333 E C 1.185 177.839 176.600 0.090 0.000 0.988 333 E CA 1.008 57.446 56.400 0.063 0.000 0.828 333 E CB 0.265 29.975 29.700 0.016 0.000 0.763 333 E HN 0.896 nan 8.360 nan 0.000 0.478 334 T N -1.879 112.751 114.554 0.126 0.000 2.926 334 T HA 0.454 4.890 4.350 0.143 0.000 0.289 334 T C -0.746 174.089 174.700 0.226 0.000 1.054 334 T CA -1.008 61.218 62.100 0.209 0.000 1.015 334 T CB 2.231 71.277 68.868 0.297 0.000 1.167 334 T HN -0.162 nan 8.240 nan 0.000 0.526 335 Q N 0.682 120.621 119.800 0.232 0.000 2.275 335 Q HA 0.670 5.096 4.340 0.143 0.000 0.266 335 Q C -1.131 174.801 176.000 -0.112 0.000 1.002 335 Q CA -0.478 55.378 55.803 0.088 0.000 0.761 335 Q CB 1.504 30.292 28.738 0.084 0.000 1.255 335 Q HN 1.123 nan 8.270 nan 0.000 0.446 336 A N 3.075 125.713 122.820 -0.303 0.000 2.310 336 A HA 0.755 5.161 4.320 0.143 0.000 0.299 336 A C -0.897 176.443 177.584 -0.407 0.000 1.147 336 A CA -0.520 51.063 52.037 -0.756 0.000 0.818 336 A CB 1.069 19.511 19.000 -0.931 0.000 1.096 336 A HN 0.564 nan 8.150 nan 0.000 0.495 337 V N 3.578 123.263 119.914 -0.382 0.000 2.376 337 V HA 0.340 4.546 4.120 0.143 0.000 0.287 337 V C -0.601 175.440 176.094 -0.088 0.000 1.015 337 V CA -0.056 62.165 62.300 -0.132 0.000 0.834 337 V CB 0.935 32.726 31.823 -0.053 0.000 1.001 337 V HN 0.712 nan 8.190 nan 0.000 0.428 338 L N 7.547 128.723 121.223 -0.078 0.000 2.408 338 L HA 0.440 4.866 4.340 0.143 0.000 0.257 338 L C -2.495 174.478 176.870 0.172 0.000 1.053 338 L CA -1.435 53.373 54.840 -0.054 0.000 0.922 338 L CB 1.862 43.701 42.059 -0.367 0.000 1.261 338 L HN 0.394 nan 8.230 nan 0.000 0.458 339 P HA 0.072 nan 4.420 nan 0.000 0.287 339 P C -0.938 176.532 177.300 0.283 0.000 1.281 339 P CA -0.275 63.000 63.100 0.292 0.000 0.781 339 P CB 0.783 32.593 31.700 0.183 0.000 0.903 340 Y N 2.294 122.708 120.300 0.191 0.000 2.735 340 Y HA 0.293 4.929 4.550 0.144 0.000 0.354 340 Y C 0.335 176.307 175.900 0.118 0.000 1.288 340 Y CA 0.298 58.496 58.100 0.164 0.000 1.836 340 Y CB -0.304 38.291 38.460 0.226 0.000 1.920 340 Y HN 0.393 nan 8.280 nan 0.000 0.438 341 D N -0.475 120.026 120.400 0.169 0.000 2.688 341 D HA 0.087 4.813 4.640 0.143 0.000 0.210 341 D C 0.561 176.934 176.300 0.122 0.000 1.333 341 D CA -0.297 53.803 54.000 0.166 0.000 0.920 341 D CB 1.118 42.054 40.800 0.226 0.000 1.554 341 D HN 0.039 nan 8.370 nan 0.000 0.579 342 Q N 2.237 122.056 119.800 0.032 0.000 2.170 342 Q HA -0.106 4.320 4.340 0.143 0.000 0.203 342 Q C 0.819 176.871 176.000 0.087 0.000 0.976 342 Q CA 1.697 57.484 55.803 -0.025 0.000 0.858 342 Q CB -0.154 28.474 28.738 -0.183 0.000 0.907 342 Q HN 0.777 nan 8.270 nan 0.000 0.433 343 Y N -0.725 119.668 120.300 0.155 0.000 2.333 343 Y HA -0.094 4.541 4.550 0.142 0.000 0.290 343 Y C 1.076 177.119 175.900 0.239 0.000 1.144 343 Y CA 0.337 58.556 58.100 0.199 0.000 1.228 343 Y CB 0.255 38.808 38.460 0.154 0.000 0.985 343 Y HN 0.045 nan 8.280 nan 0.000 0.542 344 L N 0.716 122.139 121.223 0.333 0.000 2.737 344 L HA 0.001 4.427 4.340 0.143 0.000 0.236 344 L C 1.497 178.518 176.870 0.251 0.000 1.219 344 L CA 0.012 54.990 54.840 0.230 0.000 1.021 344 L CB -0.664 41.454 42.059 0.099 0.000 1.291 344 L HN 0.464 nan 8.230 nan 0.000 0.470 345 H N -1.841 117.315 119.070 0.144 0.000 2.518 345 H HA -0.022 4.619 4.556 0.143 0.000 0.289 345 H C 1.575 176.976 175.328 0.122 0.000 1.051 345 H CA 0.573 56.689 56.048 0.115 0.000 1.280 345 H CB 0.089 29.894 29.762 0.072 0.000 1.380 345 H HN 0.069 nan 8.280 nan 0.000 0.566 346 R N -0.429 119.908 120.500 -0.272 0.000 2.509 346 R HA 0.099 4.525 4.340 0.143 0.000 0.300 346 R C 0.649 176.954 176.300 0.008 0.000 0.985 346 R CA -0.258 55.722 56.100 -0.201 0.000 1.092 346 R CB -0.701 29.370 30.300 -0.382 0.000 1.237 346 R HN 0.347 nan 8.270 nan 0.000 0.546 347 F N 1.817 121.753 119.950 -0.024 0.000 2.113 347 F HA -0.103 4.508 4.527 0.141 0.000 0.297 347 F C 2.113 178.010 175.800 0.162 0.000 1.103 347 F CA 1.624 59.670 58.000 0.077 0.000 1.248 347 F CB -0.029 39.056 39.000 0.141 0.000 0.999 347 F HN 0.095 nan 8.300 nan 0.000 0.475 348 A N 0.278 123.223 122.820 0.208 0.000 1.902 348 A HA -0.071 4.335 4.320 0.143 0.000 0.217 348 A C 2.390 179.980 177.584 0.009 0.000 1.181 348 A CA 1.778 53.864 52.037 0.083 0.000 0.623 348 A CB -1.564 17.485 19.000 0.082 0.000 0.818 348 A HN 0.474 nan 8.150 nan 0.000 0.443 349 A N -1.561 121.262 122.820 0.005 0.000 1.933 349 A HA -0.115 4.291 4.320 0.143 0.000 0.218 349 A C 2.112 179.627 177.584 -0.115 0.000 1.175 349 A CA 1.669 53.682 52.037 -0.040 0.000 0.628 349 A CB -0.791 18.187 19.000 -0.038 0.000 0.814 349 A HN 0.747 nan 8.150 nan 0.000 0.444 350 Y N -0.670 119.459 120.300 -0.285 0.000 2.145 350 Y HA -0.200 4.435 4.550 0.143 0.000 0.286 350 Y C 1.759 177.325 175.900 -0.557 0.000 1.145 350 Y CA 1.935 59.755 58.100 -0.467 0.000 1.148 350 Y CB -0.447 37.628 38.460 -0.642 0.000 0.981 350 Y HN 0.280 nan 8.280 nan 0.000 0.507 351 F N 0.221 119.969 119.950 -0.338 0.000 2.748 351 F HA -0.086 4.527 4.527 0.144 0.000 0.299 351 F C 2.356 177.973 175.800 -0.304 0.000 1.154 351 F CA 0.710 58.472 58.000 -0.396 0.000 1.446 351 F CB -0.194 38.554 39.000 -0.421 0.000 1.112 351 F HN 0.150 nan 8.300 nan 0.000 0.584 352 Q N -0.007 119.721 119.800 -0.121 0.000 2.079 352 Q HA -0.261 4.165 4.340 0.143 0.000 0.200 352 Q C 2.245 178.161 176.000 -0.140 0.000 0.974 352 Q CA 1.636 57.390 55.803 -0.081 0.000 0.840 352 Q CB -0.120 28.582 28.738 -0.060 0.000 0.898 352 Q HN 0.524 nan 8.270 nan 0.000 0.430 353 Q N -0.573 119.069 119.800 -0.263 0.000 2.033 353 Q HA -0.106 4.320 4.340 0.143 0.000 0.196 353 Q C 2.028 177.827 176.000 -0.335 0.000 0.970 353 Q CA 1.352 56.979 55.803 -0.294 0.000 0.828 353 Q CB -0.290 28.221 28.738 -0.378 0.000 0.895 353 Q HN 0.395 nan 8.270 nan 0.000 0.440 354 G N 0.997 109.476 108.800 -0.534 0.000 2.469 354 G HA2 -0.330 3.716 3.960 0.143 0.000 0.219 354 G HA3 -0.330 3.716 3.960 0.143 0.000 0.219 354 G C 1.240 176.049 174.900 -0.153 0.000 1.150 354 G CA 1.247 46.053 45.100 -0.489 0.000 0.763 354 G HN 0.440 nan 8.290 nan 0.000 0.561 355 D N 0.023 120.408 120.400 -0.025 0.000 2.146 355 D HA 0.032 4.758 4.640 0.143 0.000 0.209 355 D C 2.787 179.109 176.300 0.036 0.000 0.973 355 D CA 0.580 54.614 54.000 0.057 0.000 0.860 355 D CB -0.148 40.696 40.800 0.073 0.000 1.015 355 D HN 0.291 nan 8.370 nan 0.000 0.465 356 M N 0.439 120.039 119.600 -0.000 0.000 2.159 356 M HA -0.099 4.467 4.480 0.143 0.000 0.263 356 M C 2.161 178.453 176.300 -0.013 0.000 1.063 356 M CA 1.165 56.465 55.300 0.001 0.000 1.110 356 M CB -0.178 32.414 32.600 -0.014 0.000 1.374 356 M HN 0.025 nan 8.290 nan 0.000 0.411 357 E N -0.150 120.020 120.200 -0.050 0.000 2.285 357 E HA -0.096 4.340 4.350 0.143 0.000 0.194 357 E C 1.717 178.308 176.600 -0.015 0.000 0.997 357 E CA 0.930 57.303 56.400 -0.044 0.000 0.845 357 E CB 0.290 29.940 29.700 -0.083 0.000 0.782 357 E HN 0.373 nan 8.360 nan 0.000 0.491 358 S N 0.817 116.511 115.700 -0.009 0.000 2.348 358 S HA -0.001 4.555 4.470 0.143 0.000 0.219 358 S C 1.300 175.918 174.600 0.030 0.000 1.033 358 S CA 0.781 58.984 58.200 0.006 0.000 0.974 358 S CB 0.013 63.233 63.200 0.033 0.000 0.868 358 S HN 0.283 nan 8.310 nan 0.000 0.459 359 N N 0.951 119.701 118.700 0.083 0.000 2.230 359 N HA 0.174 4.999 4.740 0.143 0.000 0.202 359 N C 0.403 175.955 175.510 0.070 0.000 1.119 359 N CA 0.032 53.169 53.050 0.145 0.000 0.851 359 N CB 0.397 39.086 38.487 0.335 0.000 0.990 359 N HN 0.303 nan 8.380 nan 0.000 0.497 360 G N 1.061 109.885 108.800 0.041 0.000 3.209 360 G HA2 0.163 4.209 3.960 0.143 0.000 0.274 360 G HA3 0.163 4.209 3.960 0.143 0.000 0.274 360 G C 0.189 175.115 174.900 0.043 0.000 0.850 360 G CA -0.127 44.980 45.100 0.011 0.000 1.907 360 G HN -0.113 nan 8.290 nan 0.000 0.591 361 K N 0.552 120.980 120.400 0.047 0.000 2.444 361 K HA 0.342 4.748 4.320 0.143 0.000 0.252 361 K C -0.505 176.177 176.600 0.136 0.000 0.993 361 K CA -1.002 55.357 56.287 0.120 0.000 0.847 361 K CB 1.988 34.548 32.500 0.100 0.000 1.340 361 K HN 0.455 nan 8.250 nan 0.000 0.446 362 Y N -1.437 118.830 120.300 -0.054 0.000 2.666 362 Y HA 0.425 5.061 4.550 0.143 0.000 0.260 362 Y C -0.294 175.561 175.900 -0.075 0.000 1.089 362 Y CA -0.596 57.443 58.100 -0.102 0.000 1.246 362 Y CB 0.856 39.257 38.460 -0.097 0.000 1.353 362 Y HN 0.145 nan 8.280 nan 0.000 0.558 363 I N 3.098 123.425 120.570 -0.405 0.000 2.406 363 I HA 0.263 4.519 4.170 0.143 0.000 0.290 363 I C 0.557 176.593 176.117 -0.135 0.000 0.999 363 I CA -0.753 60.319 61.300 -0.381 0.000 1.124 363 I CB 1.664 39.401 38.000 -0.438 0.000 1.289 363 I HN 0.321 nan 8.210 nan 0.000 0.441 364 T N 2.445 116.946 114.554 -0.088 0.000 2.754 364 T HA 0.254 4.690 4.350 0.143 0.000 0.286 364 T C 1.058 175.764 174.700 0.010 0.000 0.997 364 T CA -0.445 61.652 62.100 -0.004 0.000 0.982 364 T CB 1.125 70.003 68.868 0.016 0.000 1.027 364 T HN 0.555 nan 8.240 nan 0.000 0.529 365 K N 0.337 120.764 120.400 0.045 0.000 2.360 365 K HA -0.061 4.345 4.320 0.143 0.000 0.201 365 K C 2.253 178.874 176.600 0.034 0.000 1.046 365 K CA 1.265 57.585 56.287 0.056 0.000 0.945 365 K CB -0.181 32.364 32.500 0.075 0.000 0.750 365 K HN 0.753 nan 8.250 nan 0.000 0.464 366 S N -1.108 114.603 115.700 0.018 0.000 2.575 366 S HA 0.141 4.697 4.470 0.143 0.000 0.215 366 S C 1.326 175.919 174.600 -0.011 0.000 0.966 366 S CA 0.286 58.491 58.200 0.008 0.000 0.911 366 S CB 0.538 63.744 63.200 0.010 0.000 0.780 366 S HN 0.395 nan 8.310 nan 0.000 0.514 367 G N 0.607 109.390 108.800 -0.028 0.000 2.175 367 G HA2 -0.098 3.947 3.960 0.143 0.000 0.244 367 G HA3 -0.098 3.947 3.960 0.143 0.000 0.244 367 G C 0.245 175.098 174.900 -0.078 0.000 0.982 367 G CA -0.108 44.957 45.100 -0.058 0.000 0.641 367 G HN 1.248 nan 8.290 nan 0.000 0.527 368 A N -0.023 122.759 122.820 -0.063 0.000 2.322 368 A HA 0.761 5.167 4.320 0.143 0.000 0.269 368 A C 0.681 178.199 177.584 -0.109 0.000 1.094 368 A CA 0.172 52.170 52.037 -0.065 0.000 0.807 368 A CB 0.474 19.456 19.000 -0.030 0.000 1.047 368 A HN 0.671 nan 8.150 nan 0.000 0.487 369 R N 1.490 121.927 120.500 -0.104 0.000 2.340 369 R HA 0.394 4.820 4.340 0.143 0.000 0.300 369 R C 0.060 176.296 176.300 -0.107 0.000 1.069 369 R CA -0.349 55.674 56.100 -0.128 0.000 0.984 369 R CB 0.396 30.668 30.300 -0.047 0.000 1.003 369 R HN 0.762 nan 8.270 nan 0.000 0.459 370 V N 1.713 121.526 119.914 -0.168 0.000 2.999 370 V HA 0.077 4.283 4.120 0.143 0.000 0.307 370 V C 0.194 176.132 176.094 -0.260 0.000 1.084 370 V CA -0.081 62.024 62.300 -0.324 0.000 1.155 370 V CB 1.137 32.576 31.823 -0.640 0.000 0.975 370 V HN 0.973 nan 8.190 nan 0.000 0.490 371 D N 1.169 121.418 120.400 -0.251 0.000 2.696 371 D HA 0.248 4.974 4.640 0.143 0.000 0.269 371 D C -0.083 176.209 176.300 -0.013 0.000 1.319 371 D CA 0.042 53.996 54.000 -0.076 0.000 0.826 371 D CB -0.476 40.338 40.800 0.023 0.000 1.086 371 D HN 1.067 nan 8.370 nan 0.000 0.481 372 H N -3.508 115.544 119.070 -0.029 0.000 2.981 372 H HA 0.481 5.123 4.556 0.144 0.000 0.327 372 H C -0.698 174.553 175.328 -0.128 0.000 1.342 372 H CA -0.966 55.061 56.048 -0.035 0.000 1.123 372 H CB 0.414 30.161 29.762 -0.025 0.000 1.851 372 H HN -0.298 nan 8.280 nan 0.000 0.531 373 Q N 0.759 120.587 119.800 0.048 0.000 2.392 373 Q HA 0.311 4.737 4.340 0.143 0.000 0.262 373 Q C 0.264 176.001 176.000 -0.439 0.000 1.003 373 Q CA 0.744 56.472 55.803 -0.124 0.000 0.888 373 Q CB 1.526 30.246 28.738 -0.030 0.000 1.260 373 Q HN 0.984 nan 8.270 nan 0.000 0.435 374 T N -2.668 111.487 114.554 -0.666 0.000 2.586 374 T HA 0.551 4.986 4.350 0.143 0.000 0.224 374 T C 0.545 174.621 174.700 -1.040 0.000 0.878 374 T CA -0.283 60.965 62.100 -1.418 0.000 1.153 374 T CB -0.326 68.064 68.868 -0.797 0.000 1.777 374 T HN 0.596 nan 8.240 nan 0.000 0.522 375 G N 3.213 111.666 108.800 -0.579 0.000 2.349 375 G HA2 0.429 4.475 3.960 0.143 0.000 0.232 375 G HA3 0.429 4.475 3.960 0.143 0.000 0.232 375 G C -2.168 172.741 174.900 0.016 0.000 1.240 375 G CA -0.544 44.543 45.100 -0.022 0.000 0.870 375 G HN 0.707 nan 8.290 nan 0.000 0.528 376 P HA 0.414 nan 4.420 nan 0.000 0.284 376 P C -0.266 177.090 177.300 0.094 0.000 1.287 376 P CA -0.846 62.322 63.100 0.113 0.000 0.824 376 P CB 1.603 33.410 31.700 0.177 0.000 1.180 377 I N 0.626 121.251 120.570 0.092 0.000 2.337 377 I HA 0.138 4.393 4.170 0.143 0.000 0.291 377 I C 0.269 176.505 176.117 0.198 0.000 1.046 377 I CA -0.610 60.747 61.300 0.094 0.000 1.324 377 I CB 0.920 38.941 38.000 0.035 0.000 1.409 377 I HN -0.031 nan 8.210 nan 0.000 0.494 378 V N 7.564 127.573 119.914 0.158 0.000 2.481 378 V HA 0.463 4.669 4.120 0.143 0.000 0.286 378 V C -0.301 175.935 176.094 0.237 0.000 1.042 378 V CA -0.241 62.148 62.300 0.148 0.000 0.928 378 V CB 1.156 33.002 31.823 0.039 0.000 0.986 378 V HN 0.814 nan 8.190 nan 0.000 0.462 379 W N 2.777 124.036 121.300 -0.069 0.000 2.959 379 W HA 0.833 5.581 4.660 0.146 0.000 0.358 379 W C -0.256 176.211 176.519 -0.086 0.000 1.228 379 W CA -0.620 56.669 57.345 -0.093 0.000 1.183 379 W CB 1.154 30.527 29.460 -0.146 0.000 1.467 379 W HN 1.074 nan 8.180 nan 0.000 0.578 380 G N 0.665 109.413 108.800 -0.087 0.000 2.361 380 G HA2 0.344 4.390 3.960 0.143 0.000 0.305 380 G HA3 0.344 4.390 3.960 0.143 0.000 0.305 380 G C -1.989 172.967 174.900 0.093 0.000 1.367 380 G CA -0.915 44.043 45.100 -0.236 0.000 0.951 380 G HN 0.563 nan 8.290 nan 0.000 0.615 381 E N -0.059 120.284 120.200 0.238 0.000 2.383 381 E HA 0.529 4.965 4.350 0.143 0.000 0.275 381 E C -2.670 174.022 176.600 0.152 0.000 0.918 381 E CA -1.485 55.065 56.400 0.251 0.000 0.764 381 E CB 2.788 32.706 29.700 0.363 0.000 1.252 381 E HN 0.324 nan 8.360 nan 0.000 0.449 382 P HA 0.085 nan 4.420 nan 0.000 0.267 382 P C 0.096 177.297 177.300 -0.164 0.000 1.200 382 P CA 0.022 63.131 63.100 0.016 0.000 0.772 382 P CB 0.481 32.221 31.700 0.068 0.000 0.855 383 G N 0.427 108.957 108.800 -0.450 0.000 2.547 383 G HA2 0.321 4.366 3.960 0.143 0.000 0.291 383 G HA3 0.321 4.366 3.960 0.143 0.000 0.291 383 G C 0.957 175.439 174.900 -0.696 0.000 1.211 383 G CA -0.230 44.262 45.100 -1.014 0.000 0.950 383 G HN 0.525 nan 8.290 nan 0.000 0.504 384 T N -1.181 113.056 114.554 -0.527 0.000 3.202 384 T HA -0.119 4.317 4.350 0.143 0.000 0.267 384 T C 1.628 176.169 174.700 -0.265 0.000 1.183 384 T CA 1.077 62.940 62.100 -0.396 0.000 1.055 384 T CB -0.394 68.412 68.868 -0.102 0.000 0.898 384 T HN 0.339 nan 8.240 nan 0.000 0.555 385 N N 2.366 120.933 118.700 -0.222 0.000 2.013 385 N HA -0.030 4.796 4.740 0.143 0.000 0.195 385 N C 2.272 177.653 175.510 -0.215 0.000 1.051 385 N CA 1.789 54.767 53.050 -0.120 0.000 0.851 385 N CB -1.237 37.212 38.487 -0.064 0.000 1.044 385 N HN 0.608 nan 8.380 nan 0.000 0.422 386 G N 0.714 109.338 108.800 -0.293 0.000 2.462 386 G HA2 -0.293 3.753 3.960 0.143 0.000 0.220 386 G HA3 -0.293 3.753 3.960 0.143 0.000 0.220 386 G C 1.382 175.616 174.900 -1.109 0.000 1.121 386 G CA 0.703 45.467 45.100 -0.561 0.000 0.758 386 G HN 0.426 nan 8.290 nan 0.000 0.559 387 Q N -0.391 118.681 119.800 -1.214 0.000 2.234 387 Q HA -0.144 4.282 4.340 0.143 0.000 0.206 387 Q C 1.351 176.710 176.000 -1.068 0.000 0.980 387 Q CA 0.972 55.644 55.803 -1.885 0.000 0.869 387 Q CB -0.085 27.902 28.738 -1.252 0.000 0.912 387 Q HN 0.601 nan 8.270 nan 0.000 0.436 388 H N -1.779 116.997 119.070 -0.490 0.000 2.505 388 H HA 0.320 4.962 4.556 0.143 0.000 0.289 388 H C 0.433 175.650 175.328 -0.185 0.000 1.052 388 H CA 0.579 56.475 56.048 -0.253 0.000 1.156 388 H CB 0.938 30.595 29.762 -0.174 0.000 1.507 388 H HN 0.355 nan 8.280 nan 0.000 0.548 389 A N 0.353 123.050 122.820 -0.206 0.000 2.008 389 A HA 0.114 4.520 4.320 0.143 0.000 0.201 389 A C 1.033 178.657 177.584 0.067 0.000 1.794 389 A CA 0.031 52.035 52.037 -0.055 0.000 0.952 389 A CB -0.225 18.774 19.000 -0.000 0.000 1.147 389 A HN 0.196 nan 8.150 nan 0.000 0.589 390 F N -3.240 116.866 119.950 0.259 0.000 2.706 390 F HA 0.475 5.087 4.527 0.142 0.000 0.313 390 F C 1.118 177.168 175.800 0.417 0.000 1.096 390 F CA -0.849 57.338 58.000 0.312 0.000 1.219 390 F CB -0.232 38.977 39.000 0.348 0.000 1.051 390 F HN 0.087 nan 8.300 nan 0.000 0.568 391 Y N 1.662 121.978 120.300 0.026 0.000 2.403 391 Y HA -0.163 4.472 4.550 0.143 0.000 0.291 391 Y C 2.644 178.735 175.900 0.318 0.000 1.143 391 Y CA 1.279 59.502 58.100 0.205 0.000 1.257 391 Y CB -0.890 37.660 38.460 0.150 0.000 0.984 391 Y HN 0.311 nan 8.280 nan 0.000 0.550 392 Q N 0.702 120.738 119.800 0.394 0.000 2.077 392 Q HA -0.223 4.203 4.340 0.143 0.000 0.206 392 Q C 2.217 178.378 176.000 0.268 0.000 0.989 392 Q CA 2.007 57.991 55.803 0.301 0.000 0.853 392 Q CB -0.806 28.053 28.738 0.203 0.000 0.907 392 Q HN 0.617 nan 8.270 nan 0.000 0.418 393 L N -0.703 120.676 121.223 0.260 0.000 2.109 393 L HA -0.031 4.395 4.340 0.143 0.000 0.207 393 L C 2.121 179.098 176.870 0.179 0.000 1.086 393 L CA 0.928 55.883 54.840 0.192 0.000 0.760 393 L CB -0.133 42.030 42.059 0.175 0.000 0.910 393 L HN 0.344 nan 8.230 nan 0.000 0.437 394 I N -0.987 119.710 120.570 0.212 0.000 2.226 394 I HA -0.295 3.961 4.170 0.143 0.000 0.245 394 I C 2.365 178.491 176.117 0.015 0.000 1.100 394 I CA 1.004 62.352 61.300 0.079 0.000 1.374 394 I CB -0.633 37.338 38.000 -0.048 0.000 1.057 394 I HN 0.359 nan 8.210 nan 0.000 0.413 395 H N 0.635 119.805 119.070 0.166 0.000 2.403 395 H HA 0.039 4.681 4.556 0.143 0.000 0.298 395 H C 1.076 176.471 175.328 0.112 0.000 1.059 395 H CA 1.105 57.277 56.048 0.207 0.000 1.363 395 H CB 0.279 30.265 29.762 0.373 0.000 1.410 395 H HN 0.472 nan 8.280 nan 0.000 0.528 396 Q N 0.079 119.980 119.800 0.169 0.000 2.089 396 Q HA 0.245 4.671 4.340 0.143 0.000 0.248 396 Q C 0.624 176.640 176.000 0.027 0.000 0.828 396 Q CA -0.341 55.474 55.803 0.019 0.000 1.102 396 Q CB 1.931 30.603 28.738 -0.110 0.000 1.221 396 Q HN 0.199 nan 8.270 nan 0.000 0.455 397 G N 0.452 109.286 108.800 0.058 0.000 2.543 397 G HA2 0.214 4.260 3.960 0.143 0.000 0.267 397 G HA3 0.214 4.260 3.960 0.143 0.000 0.267 397 G C 0.649 175.565 174.900 0.027 0.000 1.406 397 G CA 0.028 45.154 45.100 0.044 0.000 1.048 397 G HN 0.173 nan 8.290 nan 0.000 0.548 398 T N -2.584 111.983 114.554 0.021 0.000 3.174 398 T HA 0.422 4.858 4.350 0.143 0.000 0.269 398 T C 0.189 174.901 174.700 0.020 0.000 1.017 398 T CA -0.261 61.850 62.100 0.017 0.000 0.899 398 T CB 0.175 69.049 68.868 0.010 0.000 1.077 398 T HN 0.169 nan 8.240 nan 0.000 0.552 399 K N 1.491 121.905 120.400 0.023 0.000 2.259 399 K HA 0.598 5.004 4.320 0.143 0.000 0.252 399 K C -0.780 175.833 176.600 0.022 0.000 0.936 399 K CA -0.685 55.616 56.287 0.024 0.000 0.810 399 K CB 2.084 34.594 32.500 0.017 0.000 1.143 399 K HN 0.243 nan 8.250 nan 0.000 0.427 400 M N 4.476 124.086 119.600 0.015 0.000 2.144 400 M HA 0.431 4.997 4.480 0.143 0.000 0.356 400 M C -1.257 175.025 176.300 -0.031 0.000 1.217 400 M CA -0.225 55.057 55.300 -0.030 0.000 1.087 400 M CB 0.324 32.894 32.600 -0.051 0.000 1.609 400 M HN 0.566 nan 8.290 nan 0.000 0.467 401 I N 7.705 128.244 120.570 -0.050 0.000 2.493 401 I HA 0.364 4.620 4.170 0.143 0.000 0.279 401 I C -2.301 173.760 176.117 -0.093 0.000 1.045 401 I CA -1.949 59.350 61.300 -0.002 0.000 1.106 401 I CB 1.582 39.655 38.000 0.123 0.000 1.216 401 I HN 0.491 nan 8.210 nan 0.000 0.459 402 P HA 0.080 nan 4.420 nan 0.000 0.267 402 P C -0.925 176.336 177.300 -0.065 0.000 1.205 402 P CA -0.062 62.907 63.100 -0.218 0.000 0.765 402 P CB 0.436 32.008 31.700 -0.214 0.000 0.828 403 C N 2.912 122.209 119.300 -0.005 0.000 2.498 403 C HA 0.392 4.938 4.460 0.143 0.000 0.316 403 C C -0.323 174.780 174.990 0.188 0.000 1.209 403 C CA -0.334 58.706 59.018 0.038 0.000 1.518 403 C CB 1.300 29.110 27.740 0.116 0.000 2.147 403 C HN 0.491 nan 8.230 nan 0.000 0.483 404 D N 1.832 122.315 120.400 0.137 0.000 2.392 404 D HA 0.478 5.204 4.640 0.143 0.000 0.228 404 D C -0.791 175.674 176.300 0.275 0.000 1.074 404 D CA 0.016 54.180 54.000 0.273 0.000 0.838 404 D CB 0.588 41.563 40.800 0.292 0.000 1.067 404 D HN 0.260 nan 8.370 nan 0.000 0.511 405 F N 2.427 122.483 119.950 0.176 0.000 2.410 405 F HA 0.428 5.039 4.527 0.141 0.000 0.349 405 F C -0.089 176.023 175.800 0.521 0.000 1.117 405 F CA -0.670 57.477 58.000 0.245 0.000 1.104 405 F CB 0.764 39.640 39.000 -0.207 0.000 1.122 405 F HN 0.062 nan 8.300 nan 0.000 0.483 406 L N 5.219 126.866 121.223 0.706 0.000 2.370 406 L HA 0.722 5.148 4.340 0.143 0.000 0.266 406 L C -0.774 176.233 176.870 0.228 0.000 1.002 406 L CA -0.536 54.619 54.840 0.525 0.000 0.818 406 L CB 2.312 44.666 42.059 0.493 0.000 1.325 406 L HN 0.570 nan 8.230 nan 0.000 0.418 407 I N 2.552 122.889 120.570 -0.389 0.000 2.828 407 I HA 0.476 4.732 4.170 0.143 0.000 0.295 407 I C -2.862 172.527 176.117 -1.212 0.000 1.459 407 I CA -1.472 59.422 61.300 -0.676 0.000 1.015 407 I CB 3.407 40.790 38.000 -1.027 0.000 1.345 407 I HN 0.408 nan 8.210 nan 0.000 0.449 408 P HA 0.204 nan 4.420 nan 0.000 0.294 408 P C 0.345 177.542 177.300 -0.171 0.000 1.294 408 P CA -0.287 62.495 63.100 -0.529 0.000 0.827 408 P CB 2.354 34.089 31.700 0.058 0.000 0.992 409 V N 2.691 122.522 119.914 -0.138 0.000 2.295 409 V HA -0.182 4.023 4.120 0.143 0.000 0.246 409 V C 1.279 177.449 176.094 0.125 0.000 1.049 409 V CA 1.812 64.105 62.300 -0.013 0.000 1.024 409 V CB -0.904 30.898 31.823 -0.035 0.000 0.648 409 V HN 0.592 nan 8.190 nan 0.000 0.447 410 Q N 0.043 119.860 119.800 0.028 0.000 2.278 410 Q HA 0.379 4.805 4.340 0.143 0.000 0.257 410 Q C -0.066 175.805 176.000 -0.215 0.000 0.928 410 Q CA -0.108 55.655 55.803 -0.066 0.000 0.932 410 Q CB 1.750 30.474 28.738 -0.023 0.000 1.221 410 Q HN 0.348 nan 8.270 nan 0.000 0.434 411 T N 0.948 115.193 114.554 -0.514 0.000 2.899 411 T HA 0.046 4.481 4.350 0.143 0.000 0.284 411 T C 0.983 175.552 174.700 -0.217 0.000 1.004 411 T CA -0.356 61.448 62.100 -0.494 0.000 1.043 411 T CB 0.855 69.305 68.868 -0.696 0.000 1.013 411 T HN 0.510 nan 8.240 nan 0.000 0.518 412 Q N 1.200 120.918 119.800 -0.136 0.000 2.378 412 Q HA 0.025 4.451 4.340 0.143 0.000 0.205 412 Q C -0.047 175.633 176.000 -0.532 0.000 0.954 412 Q CA 0.991 56.636 55.803 -0.264 0.000 0.901 412 Q CB 0.144 28.783 28.738 -0.164 0.000 0.981 412 Q HN 0.638 nan 8.270 nan 0.000 0.483 413 H N 0.514 119.554 119.070 -0.051 0.000 2.448 413 H HA 0.194 4.837 4.556 0.144 0.000 0.237 413 H C -2.110 173.166 175.328 -0.086 0.000 1.391 413 H CA -1.681 54.327 56.048 -0.067 0.000 1.477 413 H CB 1.100 30.817 29.762 -0.075 0.000 1.520 413 H HN 0.022 nan 8.280 nan 0.000 0.502 414 P HA 0.053 nan 4.420 nan 0.000 0.225 414 P C 0.768 178.078 177.300 0.017 0.000 1.768 414 P CA -0.105 62.993 63.100 -0.004 0.000 0.943 414 P CB -0.746 30.939 31.700 -0.026 0.000 1.936 415 I N -3.025 117.548 120.570 0.005 0.000 3.138 415 I HA 0.242 4.498 4.170 0.143 0.000 0.288 415 I C 0.785 176.926 176.117 0.040 0.000 1.148 415 I CA -0.745 60.545 61.300 -0.017 0.000 1.315 415 I CB 0.070 37.996 38.000 -0.122 0.000 1.426 415 I HN -0.088 nan 8.210 nan 0.000 0.615 416 R N 1.608 122.136 120.500 0.047 0.000 3.405 416 R HA -0.189 4.237 4.340 0.143 0.000 0.258 416 R C -0.048 176.298 176.300 0.077 0.000 1.030 416 R CA 0.727 56.879 56.100 0.087 0.000 0.691 416 R CB -1.613 28.798 30.300 0.184 0.000 1.093 416 R HN 0.858 nan 8.270 nan 0.000 0.448 417 K N -2.120 118.310 120.400 0.050 0.000 3.088 417 K HA -0.259 4.147 4.320 0.143 0.000 0.273 417 K C 0.937 177.569 176.600 0.054 0.000 1.111 417 K CA 1.592 57.904 56.287 0.040 0.000 0.803 417 K CB -2.033 30.486 32.500 0.032 0.000 1.226 417 K HN 0.976 nan 8.250 nan 0.000 0.485 418 G N -0.292 108.554 108.800 0.077 0.000 2.157 418 G HA2 -0.371 3.675 3.960 0.143 0.000 0.248 418 G HA3 -0.371 3.675 3.960 0.143 0.000 0.248 418 G C 0.696 175.675 174.900 0.132 0.000 0.979 418 G CA 0.427 45.589 45.100 0.104 0.000 0.650 418 G HN 0.301 nan 8.290 nan 0.000 0.529 419 L N 0.461 121.762 121.223 0.130 0.000 2.012 419 L HA 0.057 4.483 4.340 0.143 0.000 0.210 419 L C 2.416 179.347 176.870 0.101 0.000 1.073 419 L CA 3.221 58.118 54.840 0.095 0.000 0.748 419 L CB -0.691 41.411 42.059 0.071 0.000 0.891 419 L HN 0.417 nan 8.230 nan 0.000 0.431 420 H N -2.039 117.065 119.070 0.056 0.000 2.321 420 H HA -0.166 4.475 4.556 0.143 0.000 0.300 420 H C 2.195 177.585 175.328 0.103 0.000 1.087 420 H CA 2.042 58.129 56.048 0.065 0.000 1.319 420 H CB -0.308 29.491 29.762 0.060 0.000 1.379 420 H HN 0.510 nan 8.280 nan 0.000 0.501 421 H N 0.572 119.731 119.070 0.149 0.000 2.423 421 H HA -0.045 4.596 4.556 0.142 0.000 0.297 421 H C 2.228 177.586 175.328 0.050 0.000 1.075 421 H CA 1.517 57.616 56.048 0.084 0.000 1.342 421 H CB 0.160 29.955 29.762 0.056 0.000 1.395 421 H HN 0.257 nan 8.280 nan 0.000 0.530 422 K N 0.200 120.634 120.400 0.056 0.000 2.026 422 K HA -0.111 4.295 4.320 0.143 0.000 0.208 422 K C 1.990 178.566 176.600 -0.041 0.000 1.048 422 K CA 1.811 58.089 56.287 -0.015 0.000 0.929 422 K CB -0.158 32.350 32.500 0.013 0.000 0.713 422 K HN 0.322 nan 8.250 nan 0.000 0.439 423 I N 1.069 121.629 120.570 -0.016 0.000 2.315 423 I HA -0.251 4.005 4.170 0.143 0.000 0.248 423 I C 2.346 178.470 176.117 0.013 0.000 1.117 423 I CA 0.466 61.759 61.300 -0.013 0.000 1.404 423 I CB -0.196 37.786 38.000 -0.030 0.000 1.071 423 I HN 0.217 nan 8.210 nan 0.000 0.419 424 L N 0.745 121.975 121.223 0.011 0.000 2.017 424 L HA -0.190 4.236 4.340 0.143 0.000 0.208 424 L C 2.320 179.206 176.870 0.027 0.000 1.073 424 L CA 1.860 56.741 54.840 0.069 0.000 0.745 424 L CB -0.429 41.658 42.059 0.046 0.000 0.894 424 L HN 0.117 nan 8.230 nan 0.000 0.432 425 L N -0.812 120.312 121.223 -0.164 0.000 2.046 425 L HA -0.195 4.231 4.340 0.143 0.000 0.208 425 L C 2.663 179.520 176.870 -0.021 0.000 1.077 425 L CA 1.230 55.972 54.840 -0.163 0.000 0.747 425 L CB -0.873 41.035 42.059 -0.252 0.000 0.896 425 L HN 0.376 nan 8.230 nan 0.000 0.432 426 A N -0.052 122.752 122.820 -0.026 0.000 1.902 426 A HA -0.221 4.185 4.320 0.143 0.000 0.217 426 A C 2.106 179.691 177.584 0.001 0.000 1.181 426 A CA 1.902 53.929 52.037 -0.017 0.000 0.623 426 A CB -0.594 18.392 19.000 -0.024 0.000 0.818 426 A HN 0.473 nan 8.150 nan 0.000 0.443 427 N N -1.297 117.434 118.700 0.052 0.000 2.142 427 N HA -0.124 4.702 4.740 0.143 0.000 0.186 427 N C 1.603 177.126 175.510 0.021 0.000 1.023 427 N CA 1.492 54.596 53.050 0.091 0.000 0.852 427 N CB -0.383 38.232 38.487 0.214 0.000 0.998 427 N HN 0.559 nan 8.380 nan 0.000 0.424 428 F N 2.318 122.105 119.950 -0.273 0.000 2.091 428 F HA -0.159 4.452 4.527 0.141 0.000 0.299 428 F C 2.125 177.700 175.800 -0.375 0.000 1.103 428 F CA 1.316 58.940 58.000 -0.627 0.000 1.228 428 F CB -0.370 38.292 39.000 -0.563 0.000 0.984 428 F HN -0.088 nan 8.300 nan 0.000 0.477 429 L N 0.007 121.159 121.223 -0.119 0.000 2.027 429 L HA -0.130 4.296 4.340 0.143 0.000 0.206 429 L C 2.854 179.560 176.870 -0.273 0.000 1.074 429 L CA 1.155 55.869 54.840 -0.210 0.000 0.745 429 L CB -1.310 40.714 42.059 -0.059 0.000 0.898 429 L HN 0.236 nan 8.230 nan 0.000 0.433 430 A N -0.837 121.877 122.820 -0.177 0.000 1.972 430 A HA -0.200 4.206 4.320 0.143 0.000 0.219 430 A C 2.293 179.780 177.584 -0.162 0.000 1.169 430 A CA 1.248 53.193 52.037 -0.153 0.000 0.635 430 A CB -0.334 18.610 19.000 -0.093 0.000 0.810 430 A HN 0.388 nan 8.150 nan 0.000 0.446 431 Q N -0.369 119.334 119.800 -0.161 0.000 2.046 431 Q HA -0.139 4.287 4.340 0.143 0.000 0.200 431 Q C 2.467 178.279 176.000 -0.314 0.000 0.975 431 Q CA 2.296 58.055 55.803 -0.073 0.000 0.836 431 Q CB -1.030 27.819 28.738 0.185 0.000 0.896 431 Q HN 0.871 nan 8.270 nan 0.000 0.428 432 T N -1.648 112.495 114.554 -0.685 0.000 2.867 432 T HA -0.123 4.313 4.350 0.143 0.000 0.268 432 T C 1.704 176.171 174.700 -0.388 0.000 1.057 432 T CA 1.354 63.038 62.100 -0.693 0.000 1.136 432 T CB -0.065 68.282 68.868 -0.869 0.000 0.874 432 T HN 0.332 nan 8.240 nan 0.000 0.466 433 E N 1.389 121.386 120.200 -0.337 0.000 2.072 433 E HA -0.069 4.367 4.350 0.143 0.000 0.191 433 E C 2.455 178.940 176.600 -0.191 0.000 0.985 433 E CA 0.995 57.234 56.400 -0.269 0.000 0.801 433 E CB -0.428 29.126 29.700 -0.244 0.000 0.750 433 E HN 0.652 nan 8.360 nan 0.000 0.452 434 A N 1.052 123.787 122.820 -0.142 0.000 1.898 434 A HA -0.126 4.280 4.320 0.143 0.000 0.216 434 A C 2.203 179.804 177.584 0.027 0.000 1.181 434 A CA 0.993 52.985 52.037 -0.075 0.000 0.620 434 A CB -0.644 18.324 19.000 -0.053 0.000 0.819 434 A HN 0.300 nan 8.150 nan 0.000 0.442 435 L N -1.035 120.202 121.223 0.023 0.000 2.131 435 L HA -0.193 4.233 4.340 0.143 0.000 0.210 435 L C 2.841 179.698 176.870 -0.021 0.000 1.092 435 L CA 1.450 56.279 54.840 -0.018 0.000 0.759 435 L CB -0.390 41.566 42.059 -0.172 0.000 0.903 435 L HN 0.504 nan 8.230 nan 0.000 0.435 436 M N 0.123 119.679 119.600 -0.073 0.000 2.134 436 M HA -0.178 4.388 4.480 0.143 0.000 0.262 436 M C 2.251 178.537 176.300 -0.022 0.000 1.076 436 M CA 1.832 57.100 55.300 -0.052 0.000 1.143 436 M CB -0.337 32.182 32.600 -0.134 0.000 1.346 436 M HN 0.095 nan 8.290 nan 0.000 0.421 437 K N -0.388 119.976 120.400 -0.059 0.000 2.062 437 K HA 0.058 4.464 4.320 0.143 0.000 0.205 437 K C 1.001 177.607 176.600 0.009 0.000 1.051 437 K CA 1.061 57.324 56.287 -0.039 0.000 0.941 437 K CB -0.219 32.227 32.500 -0.089 0.000 0.719 437 K HN 0.583 nan 8.250 nan 0.000 0.440 438 G N 1.155 109.970 108.800 0.025 0.000 2.641 438 G HA2 -0.332 3.714 3.960 0.143 0.000 0.254 438 G HA3 -0.332 3.714 3.960 0.143 0.000 0.254 438 G C -0.811 174.119 174.900 0.050 0.000 1.315 438 G CA 0.264 45.427 45.100 0.105 0.000 0.907 438 G HN 0.368 nan 8.290 nan 0.000 0.572 439 K N -0.328 120.162 120.400 0.151 0.000 2.656 439 K HA 0.526 4.932 4.320 0.143 0.000 0.253 439 K C 0.518 177.201 176.600 0.138 0.000 1.002 439 K CA 0.122 56.476 56.287 0.111 0.000 0.880 439 K CB 0.961 33.531 32.500 0.117 0.000 1.232 439 K HN 1.314 nan 8.250 nan 0.000 0.456 440 S N 2.146 117.896 115.700 0.083 0.000 2.596 440 S HA 0.050 4.606 4.470 0.143 0.000 0.260 440 S C 1.110 175.746 174.600 0.061 0.000 1.336 440 S CA 0.097 58.338 58.200 0.067 0.000 0.993 440 S CB 1.041 64.269 63.200 0.047 0.000 0.923 440 S HN 0.584 nan 8.310 nan 0.000 0.567 441 T N 0.915 115.496 114.554 0.044 0.000 2.708 441 T HA -0.096 4.340 4.350 0.143 0.000 0.266 441 T C 1.704 176.423 174.700 0.031 0.000 1.037 441 T CA 1.790 63.910 62.100 0.033 0.000 1.146 441 T CB -0.553 68.326 68.868 0.019 0.000 0.865 441 T HN 0.720 nan 8.240 nan 0.000 0.435 442 E N 1.238 121.455 120.200 0.027 0.000 2.106 442 E HA -0.086 4.350 4.350 0.143 0.000 0.192 442 E C 2.178 178.793 176.600 0.025 0.000 0.984 442 E CA 1.198 57.612 56.400 0.023 0.000 0.806 442 E CB -0.200 29.512 29.700 0.019 0.000 0.750 442 E HN 0.573 nan 8.360 nan 0.000 0.458 443 E N -0.427 119.791 120.200 0.029 0.000 2.077 443 E HA -0.147 4.289 4.350 0.143 0.000 0.193 443 E C 1.909 178.529 176.600 0.033 0.000 0.989 443 E CA 1.069 57.485 56.400 0.027 0.000 0.800 443 E CB -0.137 29.580 29.700 0.028 0.000 0.746 443 E HN 0.295 nan 8.360 nan 0.000 0.452 444 A N 1.222 124.071 122.820 0.048 0.000 1.968 444 A HA -0.129 4.277 4.320 0.143 0.000 0.217 444 A C 2.053 179.662 177.584 0.042 0.000 1.169 444 A CA 0.981 53.053 52.037 0.057 0.000 0.638 444 A CB -0.296 18.753 19.000 0.080 0.000 0.812 444 A HN 0.052 nan 8.150 nan 0.000 0.446 445 R N 0.124 120.644 120.500 0.034 0.000 2.075 445 R HA -0.117 4.309 4.340 0.143 0.000 0.232 445 R C 1.966 178.279 176.300 0.022 0.000 1.126 445 R CA 1.749 57.865 56.100 0.026 0.000 0.963 445 R CB -0.247 30.066 30.300 0.021 0.000 0.858 445 R HN 0.476 nan 8.270 nan 0.000 0.435 446 K N 0.267 120.679 120.400 0.019 0.000 2.103 446 K HA -0.163 4.243 4.320 0.143 0.000 0.207 446 K C 2.005 178.613 176.600 0.014 0.000 1.048 446 K CA 1.898 58.194 56.287 0.014 0.000 0.930 446 K CB -0.012 32.495 32.500 0.012 0.000 0.716 446 K HN 0.384 nan 8.250 nan 0.000 0.444 447 E N 0.456 120.667 120.200 0.018 0.000 2.072 447 E HA -0.172 4.264 4.350 0.143 0.000 0.191 447 E C 1.917 178.528 176.600 0.018 0.000 0.985 447 E CA 0.788 57.198 56.400 0.016 0.000 0.801 447 E CB -0.019 29.694 29.700 0.021 0.000 0.750 447 E HN 0.067 nan 8.360 nan 0.000 0.452 448 L N 1.453 122.690 121.223 0.024 0.000 2.046 448 L HA -0.198 4.228 4.340 0.143 0.000 0.208 448 L C 2.297 179.177 176.870 0.017 0.000 1.077 448 L CA 1.667 56.521 54.840 0.023 0.000 0.747 448 L CB -0.745 41.331 42.059 0.029 0.000 0.896 448 L HN 0.110 nan 8.230 nan 0.000 0.432 449 Q N -1.117 118.692 119.800 0.015 0.000 2.061 449 Q HA -0.191 4.235 4.340 0.143 0.000 0.204 449 Q C 2.262 178.268 176.000 0.009 0.000 0.984 449 Q CA 1.771 57.581 55.803 0.011 0.000 0.846 449 Q CB -0.383 28.361 28.738 0.011 0.000 0.902 449 Q HN 0.555 nan 8.270 nan 0.000 0.421 450 A N 0.727 123.552 122.820 0.008 0.000 2.070 450 A HA -0.011 4.395 4.320 0.143 0.000 0.220 450 A C 1.984 179.571 177.584 0.005 0.000 1.159 450 A CA 1.324 53.365 52.037 0.005 0.000 0.656 450 A CB -0.394 18.608 19.000 0.004 0.000 0.800 450 A HN 0.361 nan 8.150 nan 0.000 0.453 451 A N -1.387 121.437 122.820 0.008 0.000 2.302 451 A HA 0.437 4.843 4.320 0.143 0.000 0.219 451 A C 1.619 179.207 177.584 0.006 0.000 1.243 451 A CA 0.916 52.958 52.037 0.007 0.000 0.856 451 A CB -1.131 17.875 19.000 0.010 0.000 0.893 451 A HN 1.788 nan 8.150 nan 0.000 0.491 452 G N -0.071 108.733 108.800 0.006 0.000 2.198 452 G HA2 -0.259 3.787 3.960 0.143 0.000 0.260 452 G HA3 -0.259 3.787 3.960 0.143 0.000 0.260 452 G C 0.121 175.025 174.900 0.006 0.000 1.025 452 G CA 0.412 45.515 45.100 0.005 0.000 0.769 452 G HN 0.420 nan 8.290 nan 0.000 0.507 453 K N 1.015 121.420 120.400 0.009 0.000 2.326 453 K HA 0.385 4.790 4.320 0.143 0.000 0.275 453 K C 1.193 177.799 176.600 0.009 0.000 1.018 453 K CA 0.435 56.728 56.287 0.010 0.000 0.962 453 K CB 1.195 33.704 32.500 0.014 0.000 0.953 453 K HN 0.617 nan 8.250 nan 0.000 0.475 454 S N 2.161 117.866 115.700 0.009 0.000 2.603 454 S HA 0.166 4.722 4.470 0.143 0.000 0.268 454 S C -1.764 172.842 174.600 0.010 0.000 1.317 454 S CA -1.078 57.127 58.200 0.008 0.000 1.012 454 S CB 1.000 64.204 63.200 0.007 0.000 0.926 454 S HN 0.262 nan 8.310 nan 0.000 0.539 455 P HA -0.172 nan 4.420 nan 0.000 0.216 455 P C 1.447 178.755 177.300 0.012 0.000 1.154 455 P CA 1.554 64.661 63.100 0.011 0.000 0.865 455 P CB 0.068 31.773 31.700 0.009 0.000 0.789 456 E N -0.478 119.729 120.200 0.011 0.000 2.028 456 E HA -0.201 4.234 4.350 0.143 0.000 0.191 456 E C 1.447 178.057 176.600 0.016 0.000 0.988 456 E CA 1.327 57.734 56.400 0.012 0.000 0.799 456 E CB -0.407 29.298 29.700 0.010 0.000 0.755 456 E HN 0.098 nan 8.360 nan 0.000 0.447 457 D N 0.788 121.196 120.400 0.013 0.000 2.178 457 D HA -0.158 4.568 4.640 0.143 0.000 0.201 457 D C 2.034 178.347 176.300 0.022 0.000 0.980 457 D CA 0.556 54.565 54.000 0.014 0.000 0.842 457 D CB -0.205 40.601 40.800 0.010 0.000 0.948 457 D HN 0.239 nan 8.370 nan 0.000 0.472 458 L N 0.101 121.337 121.223 0.021 0.000 2.027 458 L HA -0.101 4.325 4.340 0.143 0.000 0.206 458 L C 2.332 179.223 176.870 0.034 0.000 1.074 458 L CA 1.041 55.897 54.840 0.026 0.000 0.745 458 L CB -0.141 41.931 42.059 0.021 0.000 0.898 458 L HN 0.005 nan 8.230 nan 0.000 0.433 459 M N -0.598 119.020 119.600 0.029 0.000 2.159 459 M HA -0.276 4.290 4.480 0.143 0.000 0.263 459 M C 2.115 178.443 176.300 0.048 0.000 1.063 459 M CA 1.769 57.087 55.300 0.031 0.000 1.110 459 M CB -0.037 32.577 32.600 0.022 0.000 1.374 459 M HN 0.067 nan 8.290 nan 0.000 0.411 460 K N 0.384 120.815 120.400 0.051 0.000 2.097 460 K HA -0.116 4.290 4.320 0.143 0.000 0.206 460 K C 1.672 178.354 176.600 0.137 0.000 1.049 460 K CA 1.206 57.537 56.287 0.074 0.000 0.933 460 K CB -0.371 32.154 32.500 0.041 0.000 0.717 460 K HN 0.345 nan 8.250 nan 0.000 0.442 461 L N -0.299 120.989 121.223 0.109 0.000 2.357 461 L HA 0.149 4.575 4.340 0.143 0.000 0.211 461 L C 1.641 178.610 176.870 0.165 0.000 1.075 461 L CA 0.719 55.644 54.840 0.143 0.000 0.830 461 L CB -0.440 41.655 42.059 0.060 0.000 0.996 461 L HN 0.092 nan 8.230 nan 0.000 0.467 462 L N 1.641 122.921 121.223 0.095 0.000 1.997 462 L HA -0.197 4.229 4.340 0.143 0.000 0.227 462 L C -0.570 176.318 176.870 0.029 0.000 1.087 462 L CA 2.891 57.766 54.840 0.059 0.000 0.797 462 L CB -1.948 40.132 42.059 0.035 0.000 0.902 462 L HN 0.260 nan 8.230 nan 0.000 0.441 463 P HA -0.219 nan 4.420 nan 0.000 0.218 463 P C 1.248 178.435 177.300 -0.188 0.000 1.148 463 P CA 1.907 64.928 63.100 -0.132 0.000 0.822 463 P CB -0.565 31.008 31.700 -0.212 0.000 0.784 464 H N 0.320 119.365 119.070 -0.041 0.000 2.491 464 H HA 0.051 4.693 4.556 0.143 0.000 0.290 464 H C 1.532 176.800 175.328 -0.101 0.000 1.050 464 H CA 0.963 56.970 56.048 -0.069 0.000 1.309 464 H CB 0.022 29.760 29.762 -0.040 0.000 1.392 464 H HN 0.330 nan 8.280 nan 0.000 0.554 465 K N 0.911 121.344 120.400 0.055 0.000 2.374 465 K HA 0.158 4.564 4.320 0.143 0.000 0.196 465 K C 0.251 176.905 176.600 0.090 0.000 1.023 465 K CA -0.014 56.319 56.287 0.077 0.000 1.103 465 K CB 1.125 33.698 32.500 0.121 0.000 0.848 465 K HN -0.079 nan 8.250 nan 0.000 0.528 466 V N 2.050 121.951 119.914 -0.022 0.000 2.546 466 V HA 0.179 4.385 4.120 0.143 0.000 0.284 466 V C -0.390 175.644 176.094 -0.099 0.000 1.050 466 V CA -0.280 62.039 62.300 0.032 0.000 0.981 466 V CB 0.390 32.211 31.823 -0.003 0.000 0.990 466 V HN 0.004 nan 8.190 nan 0.000 0.474 467 F N 2.781 122.746 119.950 0.026 0.000 2.403 467 F HA 0.414 5.027 4.527 0.143 0.000 0.355 467 F C 1.269 177.095 175.800 0.043 0.000 1.119 467 F CA -0.623 57.405 58.000 0.046 0.000 1.007 467 F CB 1.491 40.521 39.000 0.049 0.000 1.194 467 F HN 0.565 nan 8.300 nan 0.000 0.443 468 E N 2.245 122.534 120.200 0.147 0.000 2.347 468 E HA 0.089 4.525 4.350 0.143 0.000 0.196 468 E C 1.649 178.323 176.600 0.124 0.000 1.008 468 E CA 0.508 56.972 56.400 0.108 0.000 0.852 468 E CB 0.023 29.760 29.700 0.061 0.000 0.783 468 E HN 0.943 nan 8.360 nan 0.000 0.505 469 G N 2.058 110.959 108.800 0.168 0.000 2.574 469 G HA2 -0.448 3.597 3.960 0.143 0.000 0.282 469 G HA3 -0.448 3.597 3.960 0.143 0.000 0.282 469 G C 0.246 175.196 174.900 0.083 0.000 1.257 469 G CA 0.183 45.361 45.100 0.130 0.000 0.956 469 G HN 0.362 nan 8.290 nan 0.000 0.560 470 N N -1.167 117.575 118.700 0.069 0.000 2.747 470 N HA -0.181 4.645 4.740 0.143 0.000 0.249 470 N C 0.173 175.700 175.510 0.028 0.000 1.107 470 N CA 1.863 54.953 53.050 0.067 0.000 0.707 470 N CB -0.718 37.817 38.487 0.081 0.000 1.054 470 N HN 0.856 nan 8.380 nan 0.000 0.555 471 R N 0.792 121.293 120.500 0.003 0.000 2.215 471 R HA 0.357 4.783 4.340 0.143 0.000 0.336 471 R C -2.160 174.102 176.300 -0.062 0.000 0.996 471 R CA -1.542 54.528 56.100 -0.050 0.000 0.847 471 R CB 1.118 31.382 30.300 -0.060 0.000 1.127 471 R HN 0.193 nan 8.270 nan 0.000 0.465 472 P HA 0.016 nan 4.420 nan 0.000 0.271 472 P C -0.657 176.621 177.300 -0.038 0.000 1.216 472 P CA -0.027 63.054 63.100 -0.032 0.000 0.776 472 P CB 1.402 33.082 31.700 -0.033 0.000 0.881 473 T N -0.628 113.949 114.554 0.039 0.000 2.868 473 T HA 0.449 4.885 4.350 0.143 0.000 0.306 473 T C -0.689 174.102 174.700 0.153 0.000 1.224 473 T CA -0.921 61.222 62.100 0.071 0.000 1.012 473 T CB 1.367 70.190 68.868 -0.075 0.000 1.221 473 T HN 0.245 nan 8.240 nan 0.000 0.499 474 N N 0.573 119.405 118.700 0.220 0.000 2.314 474 N HA 0.627 5.453 4.740 0.143 0.000 0.304 474 N C -1.242 174.422 175.510 0.257 0.000 1.073 474 N CA -0.573 52.640 53.050 0.272 0.000 0.822 474 N CB 2.232 40.910 38.487 0.318 0.000 1.280 474 N HN 0.640 nan 8.380 nan 0.000 0.489 475 S N 1.534 117.384 115.700 0.249 0.000 2.498 475 S HA 0.568 5.124 4.470 0.143 0.000 0.317 475 S C -0.108 174.721 174.600 0.382 0.000 1.090 475 S CA -0.550 57.824 58.200 0.290 0.000 1.089 475 S CB 0.604 63.898 63.200 0.157 0.000 0.997 475 S HN 0.336 nan 8.310 nan 0.000 0.470 476 I N 3.802 124.644 120.570 0.454 0.000 2.390 476 I HA 0.399 4.655 4.170 0.143 0.000 0.283 476 I C -0.866 175.422 176.117 0.286 0.000 1.016 476 I CA -0.685 60.842 61.300 0.380 0.000 1.151 476 I CB 1.443 39.680 38.000 0.396 0.000 1.293 476 I HN 0.235 nan 8.210 nan 0.000 0.458 477 V N 6.930 126.944 119.914 0.166 0.000 2.459 477 V HA 0.547 4.753 4.120 0.143 0.000 0.295 477 V C -0.460 175.625 176.094 -0.014 0.000 1.029 477 V CA -0.671 61.543 62.300 -0.144 0.000 0.874 477 V CB 1.373 33.140 31.823 -0.094 0.000 0.985 477 V HN 0.509 nan 8.190 nan 0.000 0.438 478 F N 0.176 120.139 119.950 0.022 0.000 2.576 478 F HA 0.613 5.221 4.527 0.136 0.000 0.313 478 F C 1.228 177.048 175.800 0.034 0.000 1.078 478 F CA -0.866 57.157 58.000 0.037 0.000 0.921 478 F CB 1.022 40.040 39.000 0.030 0.000 1.232 478 F HN 0.318 nan 8.300 nan 0.000 0.459 479 T N -0.429 114.254 114.554 0.214 0.000 2.624 479 T HA -0.196 4.240 4.350 0.143 0.000 0.268 479 T C 0.320 175.104 174.700 0.139 0.000 1.041 479 T CA 1.952 64.130 62.100 0.131 0.000 1.159 479 T CB -0.218 68.730 68.868 0.132 0.000 0.863 479 T HN 0.643 nan 8.240 nan 0.000 0.434 480 K N -0.372 120.174 120.400 0.243 0.000 2.578 480 K HA 0.403 4.809 4.320 0.143 0.000 0.269 480 K C -2.128 174.659 176.600 0.311 0.000 0.941 480 K CA -0.783 55.642 56.287 0.229 0.000 0.847 480 K CB 1.413 33.995 32.500 0.137 0.000 1.397 480 K HN -0.066 nan 8.250 nan 0.000 0.422 481 L N 4.168 125.577 121.223 0.310 0.000 2.375 481 L HA 0.264 4.690 4.340 0.143 0.000 0.276 481 L C -0.354 176.588 176.870 0.120 0.000 1.162 481 L CA 0.480 55.442 54.840 0.203 0.000 0.991 481 L CB -0.088 42.125 42.059 0.256 0.000 1.315 481 L HN 0.707 nan 8.230 nan 0.000 0.431 482 T N 1.184 115.758 114.554 0.033 0.000 2.923 482 T HA 0.537 4.973 4.350 0.143 0.000 0.281 482 T C -1.895 172.657 174.700 -0.247 0.000 0.995 482 T CA -1.863 60.165 62.100 -0.120 0.000 0.985 482 T CB 1.292 70.138 68.868 -0.036 0.000 1.114 482 T HN 0.179 nan 8.240 nan 0.000 0.548 483 P HA -0.013 nan 4.420 nan 0.000 0.215 483 P C 1.191 178.403 177.300 -0.146 0.000 1.153 483 P CA 0.750 63.661 63.100 -0.315 0.000 0.853 483 P CB -0.114 31.362 31.700 -0.373 0.000 0.788 484 F N -0.037 119.777 119.950 -0.227 0.000 2.102 484 F HA -0.182 4.423 4.527 0.129 0.000 0.298 484 F C 1.966 177.689 175.800 -0.129 0.000 1.105 484 F CA 1.408 59.307 58.000 -0.168 0.000 1.239 484 F CB -0.506 38.366 39.000 -0.213 0.000 0.991 484 F HN -0.253 nan 8.300 nan 0.000 0.474 485 I N 0.195 120.822 120.570 0.094 0.000 2.226 485 I HA -0.238 4.018 4.170 0.143 0.000 0.245 485 I C 2.423 178.416 176.117 -0.206 0.000 1.100 485 I CA 1.100 62.367 61.300 -0.053 0.000 1.374 485 I CB -1.496 36.475 38.000 -0.047 0.000 1.057 485 I HN 0.289 nan 8.210 nan 0.000 0.413 486 L N 1.561 122.675 121.223 -0.182 0.000 2.046 486 L HA -0.078 4.348 4.340 0.143 0.000 0.208 486 L C 2.415 179.262 176.870 -0.039 0.000 1.077 486 L CA 2.249 57.001 54.840 -0.147 0.000 0.747 486 L CB -1.286 40.698 42.059 -0.125 0.000 0.896 486 L HN 0.208 nan 8.230 nan 0.000 0.432 487 G N -1.072 107.694 108.800 -0.057 0.000 2.440 487 G HA2 -0.274 3.772 3.960 0.143 0.000 0.218 487 G HA3 -0.274 3.772 3.960 0.143 0.000 0.218 487 G C 1.594 176.524 174.900 0.050 0.000 1.154 487 G CA 0.883 46.046 45.100 0.105 0.000 0.767 487 G HN 0.658 nan 8.290 nan 0.000 0.552 488 A N 0.475 123.204 122.820 -0.152 0.000 1.898 488 A HA 0.132 4.538 4.320 0.143 0.000 0.216 488 A C 2.446 180.035 177.584 0.009 0.000 1.181 488 A CA 1.234 53.215 52.037 -0.093 0.000 0.620 488 A CB -0.369 18.525 19.000 -0.177 0.000 0.819 488 A HN 0.355 nan 8.150 nan 0.000 0.442 489 L N -0.539 120.677 121.223 -0.012 0.000 2.056 489 L HA -0.166 4.260 4.340 0.143 0.000 0.207 489 L C 2.482 179.525 176.870 0.288 0.000 1.078 489 L CA 1.238 56.107 54.840 0.049 0.000 0.749 489 L CB -0.546 41.491 42.059 -0.036 0.000 0.901 489 L HN 0.374 nan 8.230 nan 0.000 0.433 490 I N -0.006 120.824 120.570 0.434 0.000 2.179 490 I HA -0.277 3.979 4.170 0.143 0.000 0.242 490 I C 2.819 179.270 176.117 0.556 0.000 1.088 490 I CA 1.213 62.920 61.300 0.679 0.000 1.357 490 I CB -0.542 37.768 38.000 0.517 0.000 1.051 490 I HN 0.193 nan 8.210 nan 0.000 0.409 491 A N 0.546 123.552 122.820 0.310 0.000 1.933 491 A HA -0.256 4.150 4.320 0.143 0.000 0.218 491 A C 2.420 179.963 177.584 -0.069 0.000 1.175 491 A CA 1.765 53.813 52.037 0.019 0.000 0.628 491 A CB -0.658 18.264 19.000 -0.130 0.000 0.814 491 A HN 0.479 nan 8.150 nan 0.000 0.444 492 M N -1.780 117.837 119.600 0.029 0.000 2.117 492 M HA -0.190 4.375 4.480 0.143 0.000 0.262 492 M C 1.947 178.204 176.300 -0.071 0.000 1.065 492 M CA 1.890 57.168 55.300 -0.035 0.000 1.114 492 M CB -0.250 32.272 32.600 -0.130 0.000 1.361 492 M HN 0.549 nan 8.290 nan 0.000 0.408 493 Y N 0.353 120.659 120.300 0.011 0.000 2.314 493 Y HA -0.134 4.508 4.550 0.153 0.000 0.293 493 Y C 2.247 178.181 175.900 0.057 0.000 1.129 493 Y CA 1.035 59.050 58.100 -0.140 0.000 1.201 493 Y CB -0.041 37.936 38.460 -0.805 0.000 0.999 493 Y HN 0.350 nan 8.280 nan 0.000 0.541 494 E N -0.537 119.871 120.200 0.346 0.000 2.085 494 E HA -0.241 4.194 4.350 0.143 0.000 0.194 494 E C 1.522 178.288 176.600 0.277 0.000 0.994 494 E CA 1.587 58.217 56.400 0.383 0.000 0.801 494 E CB -0.264 29.613 29.700 0.294 0.000 0.743 494 E HN 0.710 nan 8.360 nan 0.000 0.453 495 H N 0.095 119.234 119.070 0.115 0.000 2.470 495 H HA 0.006 4.646 4.556 0.140 0.000 0.289 495 H C 2.166 177.457 175.328 -0.060 0.000 1.033 495 H CA 0.761 56.719 56.048 -0.151 0.000 1.331 495 H CB 0.223 29.513 29.762 -0.788 0.000 1.414 495 H HN -0.022 nan 8.280 nan 0.000 0.545 496 K N 1.481 121.952 120.400 0.119 0.000 2.026 496 K HA -0.149 4.257 4.320 0.143 0.000 0.208 496 K C 1.903 178.581 176.600 0.130 0.000 1.048 496 K CA 1.453 57.805 56.287 0.108 0.000 0.929 496 K CB -0.085 32.511 32.500 0.159 0.000 0.713 496 K HN 0.244 nan 8.250 nan 0.000 0.439 497 I N 0.714 121.404 120.570 0.200 0.000 2.208 497 I HA -0.270 3.986 4.170 0.143 0.000 0.245 497 I C 2.343 178.576 176.117 0.193 0.000 1.097 497 I CA 1.197 62.616 61.300 0.198 0.000 1.363 497 I CB -0.355 37.807 38.000 0.271 0.000 1.051 497 I HN 0.192 nan 8.210 nan 0.000 0.413 498 F N 1.436 121.488 119.950 0.170 0.000 2.069 498 F HA -0.226 4.386 4.527 0.142 0.000 0.298 498 F C 2.359 178.244 175.800 0.143 0.000 1.113 498 F CA 1.750 59.883 58.000 0.221 0.000 1.214 498 F CB -0.556 38.669 39.000 0.375 0.000 0.978 498 F HN -0.225 nan 8.300 nan 0.000 0.474 499 V N 0.730 120.664 119.914 0.034 0.000 2.343 499 V HA -0.335 3.870 4.120 0.143 0.000 0.247 499 V C 2.352 178.280 176.094 -0.275 0.000 1.051 499 V CA 2.332 64.567 62.300 -0.110 0.000 1.036 499 V CB -0.903 30.957 31.823 0.062 0.000 0.654 499 V HN 0.446 nan 8.190 nan 0.000 0.451 500 Q N 0.008 119.624 119.800 -0.307 0.000 2.079 500 Q HA -0.121 4.305 4.340 0.143 0.000 0.200 500 Q C 2.430 178.047 176.000 -0.638 0.000 0.974 500 Q CA 1.586 56.979 55.803 -0.683 0.000 0.840 500 Q CB -0.553 27.733 28.738 -0.755 0.000 0.898 500 Q HN 0.717 nan 8.270 nan 0.000 0.430 501 G N 0.470 109.121 108.800 -0.247 0.000 2.442 501 G HA2 -0.222 3.824 3.960 0.143 0.000 0.219 501 G HA3 -0.222 3.824 3.960 0.143 0.000 0.219 501 G C 1.520 176.362 174.900 -0.097 0.000 1.141 501 G CA 0.895 45.975 45.100 -0.033 0.000 0.763 501 G HN 0.200 nan 8.290 nan 0.000 0.554 502 V N 0.464 120.211 119.914 -0.279 0.000 2.307 502 V HA -0.157 4.049 4.120 0.143 0.000 0.245 502 V C 3.020 179.019 176.094 -0.159 0.000 1.045 502 V CA 1.425 63.585 62.300 -0.233 0.000 1.024 502 V CB -0.417 31.200 31.823 -0.343 0.000 0.651 502 V HN 0.244 nan 8.190 nan 0.000 0.449 503 V N -1.271 118.490 119.914 -0.255 0.000 2.332 503 V HA -0.252 3.954 4.120 0.143 0.000 0.248 503 V C 2.125 178.123 176.094 -0.160 0.000 1.055 503 V CA 1.831 63.974 62.300 -0.262 0.000 1.038 503 V CB -0.637 30.934 31.823 -0.419 0.000 0.651 503 V HN 0.663 nan 8.190 nan 0.000 0.450 504 W N -0.662 120.589 121.300 -0.081 0.000 3.047 504 W HA 0.201 4.949 4.660 0.147 0.000 0.250 504 W C 1.272 177.806 176.519 0.025 0.000 1.314 504 W CA 0.449 57.777 57.345 -0.029 0.000 1.540 504 W CB -0.900 28.614 29.460 0.089 0.000 1.127 504 W HN 0.504 nan 8.180 nan 0.000 0.679 505 D N 0.669 121.168 120.400 0.165 0.000 2.723 505 D HA -0.211 4.514 4.640 0.143 0.000 0.236 505 D C -0.022 176.356 176.300 0.130 0.000 1.138 505 D CA 0.856 54.921 54.000 0.108 0.000 0.676 505 D CB -1.319 39.531 40.800 0.084 0.000 1.069 505 D HN 0.295 nan 8.370 nan 0.000 0.430 506 I N -4.012 116.654 120.570 0.162 0.000 2.982 506 I HA 0.556 4.812 4.170 0.143 0.000 0.312 506 I C 0.372 176.562 176.117 0.122 0.000 1.041 506 I CA -1.185 60.198 61.300 0.139 0.000 1.053 506 I CB 1.403 39.504 38.000 0.168 0.000 1.248 506 I HN -0.109 nan 8.210 nan 0.000 0.471 507 N N 1.694 120.469 118.700 0.126 0.000 2.500 507 N HA 0.239 5.065 4.740 0.143 0.000 0.236 507 N C 0.016 175.561 175.510 0.058 0.000 1.022 507 N CA -0.177 52.965 53.050 0.154 0.000 0.935 507 N CB 0.923 39.535 38.487 0.208 0.000 1.147 507 N HN 0.630 nan 8.380 nan 0.000 0.512 508 S N 2.468 118.085 115.700 -0.139 0.000 2.603 508 S HA 0.081 4.637 4.470 0.143 0.000 0.229 508 S C 0.444 174.666 174.600 -0.631 0.000 0.972 508 S CA 0.361 58.295 58.200 -0.443 0.000 0.935 508 S CB -0.271 62.491 63.200 -0.731 0.000 0.769 508 S HN 0.611 nan 8.310 nan 0.000 0.536 509 F N 1.124 121.197 119.950 0.206 0.000 2.688 509 F HA 0.268 4.880 4.527 0.141 0.000 0.310 509 F C 0.570 176.439 175.800 0.115 0.000 1.098 509 F CA -0.898 57.219 58.000 0.196 0.000 1.228 509 F CB 0.344 39.451 39.000 0.178 0.000 1.042 509 F HN 0.092 nan 8.300 nan 0.000 0.557 510 D N -0.230 120.264 120.400 0.157 0.000 2.494 510 D HA 0.340 5.066 4.640 0.143 0.000 0.259 510 D C -0.176 176.050 176.300 -0.124 0.000 1.109 510 D CA -0.626 53.345 54.000 -0.049 0.000 1.040 510 D CB 0.657 41.425 40.800 -0.053 0.000 1.175 510 D HN 0.049 nan 8.370 nan 0.000 0.584 511 Q N -0.677 118.910 119.800 -0.354 0.000 3.693 511 Q HA 0.108 4.534 4.340 0.143 0.000 0.226 511 Q C -0.852 175.022 176.000 -0.209 0.000 0.757 511 Q CA -0.533 55.158 55.803 -0.186 0.000 0.891 511 Q CB -1.286 27.382 28.738 -0.117 0.000 1.561 511 Q HN 0.738 nan 8.270 nan 0.000 0.390 512 W N 0.908 122.252 121.300 0.074 0.000 2.525 512 W HA 0.113 4.859 4.660 0.144 0.000 0.259 512 W C 1.973 178.527 176.519 0.059 0.000 1.253 512 W CA 0.938 58.323 57.345 0.066 0.000 1.262 512 W CB 0.189 29.689 29.460 0.067 0.000 1.122 512 W HN 0.626 nan 8.180 nan 0.000 0.607 513 G N 0.714 109.647 108.800 0.221 0.000 2.586 513 G HA2 -0.187 3.859 3.960 0.143 0.000 0.215 513 G HA3 -0.187 3.859 3.960 0.143 0.000 0.215 513 G C 1.376 176.336 174.900 0.099 0.000 1.128 513 G CA 1.297 46.486 45.100 0.148 0.000 0.774 513 G HN 0.322 nan 8.290 nan 0.000 0.543 514 V N -1.703 118.265 119.914 0.090 0.000 2.725 514 V HA 0.027 4.233 4.120 0.143 0.000 0.247 514 V C 2.229 178.369 176.094 0.077 0.000 1.058 514 V CA 1.625 63.959 62.300 0.057 0.000 1.080 514 V CB -0.339 31.497 31.823 0.021 0.000 0.713 514 V HN 0.513 nan 8.190 nan 0.000 0.465 515 E N 1.059 121.334 120.200 0.125 0.000 2.110 515 E HA -0.181 4.255 4.350 0.143 0.000 0.193 515 E C 2.331 178.985 176.600 0.089 0.000 0.988 515 E CA 1.606 58.078 56.400 0.121 0.000 0.804 515 E CB -0.398 29.407 29.700 0.176 0.000 0.745 515 E HN 0.580 nan 8.360 nan 0.000 0.458 516 L N 1.207 122.481 121.223 0.086 0.000 1.971 516 L HA -0.175 4.251 4.340 0.143 0.000 0.215 516 L C 2.578 179.476 176.870 0.048 0.000 1.072 516 L CA 1.947 56.824 54.840 0.063 0.000 0.758 516 L CB -0.815 41.277 42.059 0.055 0.000 0.889 516 L HN 0.282 nan 8.230 nan 0.000 0.433 517 G N -0.626 108.198 108.800 0.039 0.000 2.442 517 G HA2 -0.347 3.699 3.960 0.143 0.000 0.219 517 G HA3 -0.347 3.699 3.960 0.143 0.000 0.219 517 G C 1.621 176.538 174.900 0.029 0.000 1.141 517 G CA 1.075 46.191 45.100 0.026 0.000 0.763 517 G HN 0.347 nan 8.290 nan 0.000 0.554 518 K N 0.809 121.231 120.400 0.036 0.000 2.057 518 K HA -0.141 4.265 4.320 0.143 0.000 0.206 518 K C 2.708 179.332 176.600 0.040 0.000 1.050 518 K CA 1.747 58.056 56.287 0.036 0.000 0.935 518 K CB -0.291 32.234 32.500 0.041 0.000 0.715 518 K HN 0.551 nan 8.250 nan 0.000 0.439 519 Q N 0.339 120.168 119.800 0.048 0.000 2.119 519 Q HA -0.148 4.278 4.340 0.143 0.000 0.201 519 Q C 2.024 178.054 176.000 0.050 0.000 0.972 519 Q CA 1.359 57.191 55.803 0.049 0.000 0.847 519 Q CB -0.372 28.398 28.738 0.053 0.000 0.903 519 Q HN 0.325 nan 8.270 nan 0.000 0.433 520 L N 0.690 121.943 121.223 0.050 0.000 2.141 520 L HA -0.062 4.364 4.340 0.143 0.000 0.209 520 L C 2.679 179.578 176.870 0.047 0.000 1.094 520 L CA 0.770 55.645 54.840 0.059 0.000 0.763 520 L CB -0.609 41.480 42.059 0.049 0.000 0.908 520 L HN 0.356 nan 8.230 nan 0.000 0.437 521 A N -0.085 122.754 122.820 0.031 0.000 1.898 521 A HA -0.148 4.258 4.320 0.143 0.000 0.216 521 A C 2.268 179.870 177.584 0.029 0.000 1.181 521 A CA 1.201 53.250 52.037 0.021 0.000 0.620 521 A CB -0.207 18.802 19.000 0.015 0.000 0.819 521 A HN 0.152 nan 8.150 nan 0.000 0.442 522 K N 0.441 120.862 120.400 0.035 0.000 2.209 522 K HA -0.062 4.344 4.320 0.143 0.000 0.204 522 K C 1.729 178.355 176.600 0.045 0.000 1.048 522 K CA 1.125 57.433 56.287 0.035 0.000 0.940 522 K CB -0.249 32.271 32.500 0.034 0.000 0.729 522 K HN 0.491 nan 8.250 nan 0.000 0.451 523 K N 0.396 120.832 120.400 0.060 0.000 2.103 523 K HA 0.053 4.459 4.320 0.143 0.000 0.204 523 K C 2.226 178.888 176.600 0.103 0.000 1.052 523 K CA 0.714 57.049 56.287 0.081 0.000 0.945 523 K CB -0.017 32.548 32.500 0.108 0.000 0.722 523 K HN 0.120 nan 8.250 nan 0.000 0.443 524 I N 1.035 121.660 120.570 0.091 0.000 2.500 524 I HA -0.184 4.071 4.170 0.143 0.000 0.252 524 I C 2.052 178.196 176.117 0.046 0.000 1.142 524 I CA 0.836 62.178 61.300 0.070 0.000 1.451 524 I CB -0.151 37.842 38.000 -0.010 0.000 1.093 524 I HN 0.176 nan 8.210 nan 0.000 0.430 525 E N 1.277 121.498 120.200 0.034 0.000 2.086 525 E HA -0.249 4.187 4.350 0.143 0.000 0.205 525 E C -0.651 175.965 176.600 0.028 0.000 1.027 525 E CA 1.983 58.398 56.400 0.026 0.000 0.830 525 E CB -1.075 28.638 29.700 0.023 0.000 0.751 525 E HN 0.449 nan 8.360 nan 0.000 0.456 526 P HA -0.126 nan 4.420 nan 0.000 0.223 526 P C 0.418 177.738 177.300 0.033 0.000 1.151 526 P CA 1.250 64.368 63.100 0.029 0.000 0.787 526 P CB 0.071 31.788 31.700 0.028 0.000 0.788 527 E N -0.132 120.097 120.200 0.048 0.000 2.285 527 E HA 0.009 4.445 4.350 0.143 0.000 0.194 527 E C 2.084 178.708 176.600 0.040 0.000 0.997 527 E CA 0.360 56.793 56.400 0.055 0.000 0.845 527 E CB -0.365 29.394 29.700 0.098 0.000 0.782 527 E HN 0.302 nan 8.360 nan 0.000 0.491 528 L N 1.278 122.519 121.223 0.030 0.000 2.217 528 L HA -0.071 4.355 4.340 0.143 0.000 0.211 528 L C 0.386 177.264 176.870 0.013 0.000 1.107 528 L CA 0.352 55.203 54.840 0.019 0.000 0.783 528 L CB -0.382 41.685 42.059 0.013 0.000 0.919 528 L HN 0.025 nan 8.230 nan 0.000 0.442 529 D N 0.833 121.242 120.400 0.014 0.000 2.443 529 D HA 0.377 5.103 4.640 0.143 0.000 0.239 529 D C 0.727 177.032 176.300 0.009 0.000 1.136 529 D CA 1.154 55.160 54.000 0.010 0.000 0.879 529 D CB 0.589 41.395 40.800 0.011 0.000 1.195 529 D HN 0.263 nan 8.370 nan 0.000 0.443 530 G N 0.816 109.618 108.800 0.004 0.000 2.781 530 G HA2 -0.124 3.921 3.960 0.143 0.000 0.683 530 G HA3 -0.124 3.921 3.960 0.143 0.000 0.683 530 G C 0.484 175.385 174.900 0.001 0.000 1.390 530 G CA 0.018 45.120 45.100 0.003 0.000 0.850 530 G HN 0.743 nan 8.290 nan 0.000 0.557 531 S N -1.497 114.203 115.700 -0.001 0.000 2.557 531 S HA 0.489 5.045 4.470 0.143 0.000 0.223 531 S C 1.117 175.718 174.600 0.002 0.000 0.969 531 S CA 0.933 59.131 58.200 -0.003 0.000 0.927 531 S CB 0.039 63.234 63.200 -0.008 0.000 0.806 531 S HN 2.199 nan 8.310 nan 0.000 0.489 532 S N 2.230 117.934 115.700 0.007 0.000 2.548 532 S HA 0.488 5.044 4.470 0.143 0.000 0.277 532 S C -2.861 171.750 174.600 0.018 0.000 1.315 532 S CA -1.160 57.046 58.200 0.011 0.000 1.050 532 S CB 0.020 63.227 63.200 0.011 0.000 0.918 532 S HN 0.111 nan 8.310 nan 0.000 0.497 533 P HA 0.217 nan 4.420 nan 0.000 0.268 533 P C -0.873 176.449 177.300 0.037 0.000 1.204 533 P CA -0.397 62.720 63.100 0.029 0.000 0.768 533 P CB 0.499 32.215 31.700 0.027 0.000 0.842 534 V N 3.083 123.028 119.914 0.052 0.000 2.481 534 V HA 0.335 4.541 4.120 0.143 0.000 0.286 534 V C 1.105 177.245 176.094 0.076 0.000 1.042 534 V CA 0.260 62.604 62.300 0.073 0.000 0.928 534 V CB 1.248 33.139 31.823 0.114 0.000 0.986 534 V HN 0.787 nan 8.190 nan 0.000 0.462 535 T N -2.128 112.461 114.554 0.058 0.000 3.262 535 T HA 0.020 4.456 4.350 0.143 0.000 0.300 535 T C 1.162 175.871 174.700 0.016 0.000 0.959 535 T CA 0.392 62.518 62.100 0.044 0.000 0.936 535 T CB 0.094 68.976 68.868 0.024 0.000 1.169 535 T HN 0.639 nan 8.240 nan 0.000 0.532 536 S N 0.364 116.052 115.700 -0.019 0.000 2.562 536 S HA 0.152 4.708 4.470 0.143 0.000 0.221 536 S C 0.687 175.113 174.600 -0.289 0.000 0.975 536 S CA -0.285 57.817 58.200 -0.163 0.000 0.918 536 S CB -0.493 62.557 63.200 -0.250 0.000 0.772 536 S HN 0.677 nan 8.310 nan 0.000 0.531 537 H N 1.559 120.634 119.070 0.008 0.000 3.065 537 H HA 0.388 5.030 4.556 0.143 0.000 0.279 537 H C -0.603 174.728 175.328 0.005 0.000 1.594 537 H CA -0.418 55.634 56.048 0.007 0.000 1.547 537 H CB 0.079 29.846 29.762 0.008 0.000 1.771 537 H HN 0.402 nan 8.280 nan 0.000 0.871 538 D N -0.843 119.655 120.400 0.163 0.000 2.360 538 D HA -0.019 4.707 4.640 0.143 0.000 0.242 538 D C 1.218 177.559 176.300 0.070 0.000 1.184 538 D CA 0.059 54.106 54.000 0.079 0.000 0.930 538 D CB 0.759 41.592 40.800 0.055 0.000 1.161 538 D HN 0.437 nan 8.370 nan 0.000 0.447 539 S N 0.385 116.109 115.700 0.040 0.000 2.419 539 S HA -0.277 4.278 4.470 0.143 0.000 0.235 539 S C 1.910 176.524 174.600 0.022 0.000 1.019 539 S CA 1.100 59.319 58.200 0.032 0.000 0.982 539 S CB -0.687 62.523 63.200 0.018 0.000 0.789 539 S HN 0.513 nan 8.310 nan 0.000 0.490 540 S N 1.432 117.139 115.700 0.012 0.000 2.335 540 S HA -0.102 4.454 4.470 0.143 0.000 0.217 540 S C 2.006 176.600 174.600 -0.009 0.000 1.032 540 S CA 1.798 59.995 58.200 -0.005 0.000 0.985 540 S CB -1.291 61.901 63.200 -0.015 0.000 0.896 540 S HN 0.681 nan 8.310 nan 0.000 0.445 541 T N 2.473 117.018 114.554 -0.014 0.000 2.720 541 T HA -0.098 4.338 4.350 0.143 0.000 0.268 541 T C 1.645 176.324 174.700 -0.035 0.000 1.037 541 T CA 1.763 63.824 62.100 -0.065 0.000 1.144 541 T CB -0.740 68.043 68.868 -0.141 0.000 0.864 541 T HN 0.562 nan 8.240 nan 0.000 0.444 542 N N 0.422 119.144 118.700 0.036 0.000 2.084 542 N HA -0.084 4.742 4.740 0.143 0.000 0.190 542 N C 2.288 177.828 175.510 0.050 0.000 1.030 542 N CA 0.919 54.010 53.050 0.068 0.000 0.849 542 N CB -0.308 38.228 38.487 0.081 0.000 1.012 542 N HN 0.416 nan 8.380 nan 0.000 0.423 543 G N 1.434 110.256 108.800 0.038 0.000 2.418 543 G HA2 -0.195 3.851 3.960 0.143 0.000 0.217 543 G HA3 -0.195 3.851 3.960 0.143 0.000 0.217 543 G C 1.527 176.467 174.900 0.068 0.000 1.158 543 G CA 0.478 45.604 45.100 0.043 0.000 0.771 543 G HN 0.124 nan 8.290 nan 0.000 0.545 544 L N 0.020 121.266 121.223 0.039 0.000 2.017 544 L HA -0.009 4.417 4.340 0.143 0.000 0.208 544 L C 2.874 179.809 176.870 0.108 0.000 1.073 544 L CA 0.747 55.626 54.840 0.064 0.000 0.745 544 L CB -0.376 41.689 42.059 0.010 0.000 0.894 544 L HN 0.179 nan 8.230 nan 0.000 0.432 545 I N 0.118 120.719 120.570 0.052 0.000 2.208 545 I HA -0.312 3.944 4.170 0.143 0.000 0.245 545 I C 2.172 178.328 176.117 0.066 0.000 1.097 545 I CA 1.215 62.542 61.300 0.044 0.000 1.363 545 I CB -0.424 37.589 38.000 0.021 0.000 1.051 545 I HN 0.382 nan 8.210 nan 0.000 0.413 546 N N 0.568 119.317 118.700 0.081 0.000 2.244 546 N HA -0.191 4.635 4.740 0.143 0.000 0.183 546 N C 1.749 177.317 175.510 0.096 0.000 1.016 546 N CA 1.202 54.297 53.050 0.075 0.000 0.866 546 N CB -0.465 38.066 38.487 0.074 0.000 0.980 546 N HN 0.298 nan 8.380 nan 0.000 0.430 547 F N 1.764 121.713 119.950 -0.002 0.000 2.146 547 F HA 0.038 4.650 4.527 0.143 0.000 0.298 547 F C 2.070 177.868 175.800 -0.003 0.000 1.096 547 F CA 0.805 58.804 58.000 -0.003 0.000 1.275 547 F CB -0.241 38.756 39.000 -0.006 0.000 1.008 547 F HN -0.116 nan 8.300 nan 0.000 0.480 548 I N 0.309 120.899 120.570 0.034 0.000 2.226 548 I HA -0.319 3.937 4.170 0.143 0.000 0.245 548 I C 2.314 178.366 176.117 -0.108 0.000 1.100 548 I CA 1.510 62.776 61.300 -0.057 0.000 1.374 548 I CB -0.464 37.555 38.000 0.032 0.000 1.057 548 I HN 0.082 nan 8.210 nan 0.000 0.413 549 K N 0.195 120.559 120.400 -0.060 0.000 2.097 549 K HA -0.245 4.161 4.320 0.143 0.000 0.206 549 K C 2.159 178.704 176.600 -0.092 0.000 1.049 549 K CA 1.323 57.577 56.287 -0.055 0.000 0.933 549 K CB -0.198 32.290 32.500 -0.020 0.000 0.717 549 K HN 0.367 nan 8.250 nan 0.000 0.442 550 Q N 0.616 120.339 119.800 -0.128 0.000 2.079 550 Q HA -0.184 4.242 4.340 0.143 0.000 0.200 550 Q C 1.856 177.727 176.000 -0.215 0.000 0.974 550 Q CA 1.278 56.991 55.803 -0.150 0.000 0.840 550 Q CB 0.243 28.894 28.738 -0.144 0.000 0.898 550 Q HN 0.232 nan 8.270 nan 0.000 0.430 551 Q N 0.227 119.810 119.800 -0.361 0.000 2.389 551 Q HA -0.083 4.343 4.340 0.143 0.000 0.204 551 Q C 1.943 177.825 176.000 -0.198 0.000 0.944 551 Q CA 1.017 56.609 55.803 -0.352 0.000 0.908 551 Q CB -0.050 28.309 28.738 -0.631 0.000 1.002 551 Q HN 0.510 nan 8.270 nan 0.000 0.493 552 R N 1.290 121.699 120.500 -0.151 0.000 2.241 552 R HA -0.145 4.281 4.340 0.143 0.000 0.224 552 R C 1.461 177.721 176.300 -0.066 0.000 1.101 552 R CA 1.686 57.734 56.100 -0.088 0.000 0.995 552 R CB -0.100 30.163 30.300 -0.063 0.000 0.870 552 R HN 0.336 nan 8.270 nan 0.000 0.463 553 E N 0.539 120.695 120.200 -0.072 0.000 2.307 553 E HA 0.187 4.623 4.350 0.143 0.000 0.195 553 E C 0.280 176.850 176.600 -0.050 0.000 0.975 553 E CA 0.122 56.491 56.400 -0.051 0.000 0.878 553 E CB 0.055 29.728 29.700 -0.046 0.000 0.845 553 E HN 0.289 nan 8.360 nan 0.000 0.488 554 A N 1.923 124.702 122.820 -0.068 0.000 2.591 554 A HA -0.047 4.359 4.320 0.143 0.000 0.244 554 A C 0.065 177.627 177.584 -0.037 0.000 1.031 554 A CA 0.405 52.407 52.037 -0.057 0.000 0.767 554 A CB -0.088 18.864 19.000 -0.079 0.000 0.942 554 A HN 0.158 nan 8.150 nan 0.000 0.514 555 K N 3.895 124.280 120.400 -0.025 0.000 2.299 555 K HA 0.519 4.925 4.320 0.143 0.000 0.268 555 K C -0.132 176.462 176.600 -0.011 0.000 1.075 555 K CA -0.240 56.037 56.287 -0.016 0.000 0.936 555 K CB -0.000 32.492 32.500 -0.012 0.000 1.228 555 K HN 0.608 nan 8.250 nan 0.000 0.454 556 I N 0.000 120.565 120.570 -0.008 0.000 2.984 556 I HA 0.000 4.256 4.170 0.143 0.000 0.288 556 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 556 I CB 0.000 38.001 38.000 0.002 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494