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 2ic3_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI CQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.300 177.300 0.001 0.000 1.155 1 P CA 0.000 63.102 63.100 0.003 0.000 0.800 1 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 2 I N -0.443 120.126 120.570 -0.002 0.000 2.497 2 I HA 0.682 4.852 4.170 -0.000 0.000 0.284 2 I C -0.744 175.373 176.117 -0.001 0.000 1.060 2 I CA -0.761 60.535 61.300 -0.008 0.000 1.071 2 I CB 2.127 40.110 38.000 -0.028 0.000 1.216 2 I HN -0.018 nan 8.210 nan 0.000 0.442 3 S N 7.174 122.882 115.700 0.013 0.000 2.442 3 S HA 0.582 5.052 4.470 -0.000 0.000 0.297 3 S C -1.028 173.586 174.600 0.024 0.000 1.131 3 S CA -1.147 57.074 58.200 0.035 0.000 1.092 3 S CB 1.168 64.402 63.200 0.057 0.000 0.998 3 S HN 0.693 nan 8.310 nan 0.000 0.478 4 P HA 0.009 nan 4.420 nan 0.000 0.202 4 P C 0.738 178.125 177.300 0.144 0.000 1.189 4 P CA 0.537 63.608 63.100 -0.049 0.000 0.921 4 P CB -0.287 31.369 31.700 -0.074 0.000 0.756 5 I N 0.836 121.610 120.570 0.340 0.000 3.392 5 I HA -0.151 4.019 4.170 -0.000 0.000 0.286 5 I C 1.217 177.462 176.117 0.212 0.000 1.286 5 I CA 0.719 62.242 61.300 0.371 0.000 1.359 5 I CB -0.265 37.892 38.000 0.261 0.000 1.335 5 I HN 0.288 nan 8.210 nan 0.000 0.602 6 E N 1.132 121.432 120.200 0.166 0.000 2.207 6 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 6 E C -1.027 175.622 176.600 0.082 0.000 0.927 6 E CA -0.956 55.510 56.400 0.110 0.000 0.799 6 E CB 1.511 31.270 29.700 0.098 0.000 1.172 6 E HN 0.611 nan 8.360 nan 0.000 0.404 7 T N -1.076 113.520 114.554 0.070 0.000 2.856 7 T HA 0.239 4.589 4.350 -0.000 0.000 0.292 7 T C 0.368 175.096 174.700 0.046 0.000 0.980 7 T CA -0.893 61.242 62.100 0.060 0.000 1.091 7 T CB 1.083 69.990 68.868 0.065 0.000 0.936 7 T HN 0.297 nan 8.240 nan 0.000 0.503 8 V N 5.556 125.492 119.914 0.036 0.000 2.341 8 V HA 0.166 4.286 4.120 -0.000 0.000 0.248 8 V C -1.898 174.223 176.094 0.045 0.000 1.107 8 V CA -1.425 60.893 62.300 0.031 0.000 1.069 8 V CB -0.784 31.043 31.823 0.007 0.000 1.177 8 V HN 0.821 nan 8.190 nan 0.000 0.492 9 P HA -0.090 nan 4.420 nan 0.000 0.255 9 P C -0.200 177.121 177.300 0.036 0.000 1.141 9 P CA 0.814 63.937 63.100 0.038 0.000 0.767 9 P CB 0.216 31.935 31.700 0.032 0.000 0.726 10 V N 4.848 124.763 119.914 0.002 0.000 2.975 10 V HA 0.589 4.709 4.120 -0.000 0.000 0.318 10 V C 0.393 176.411 176.094 -0.127 0.000 1.077 10 V CA -0.337 61.915 62.300 -0.080 0.000 1.000 10 V CB 2.099 33.727 31.823 -0.324 0.000 1.066 10 V HN 0.455 nan 8.190 nan 0.000 0.452 11 K N 1.179 121.460 120.400 -0.198 0.000 2.607 11 K HA 0.662 4.982 4.320 -0.000 0.000 0.287 11 K C -1.876 174.624 176.600 -0.167 0.000 0.996 11 K CA -0.806 55.394 56.287 -0.145 0.000 0.876 11 K CB 2.327 34.780 32.500 -0.078 0.000 1.496 11 K HN 0.422 nan 8.250 nan 0.000 0.415 12 L N 0.892 122.072 121.223 -0.071 0.000 2.286 12 L HA 0.538 4.878 4.340 -0.000 0.000 0.265 12 L C -0.249 176.612 176.870 -0.016 0.000 1.012 12 L CA -1.351 53.474 54.840 -0.026 0.000 0.818 12 L CB 1.174 43.281 42.059 0.080 0.000 1.337 12 L HN 0.429 nan 8.230 nan 0.000 0.438 13 K N 0.747 121.142 120.400 -0.007 0.000 2.550 13 K HA 0.050 4.370 4.320 -0.000 0.000 0.280 13 K C -2.326 174.289 176.600 0.026 0.000 0.987 13 K CA -1.105 55.181 56.287 -0.002 0.000 1.048 13 K CB -0.469 32.036 32.500 0.009 0.000 0.879 13 K HN 0.243 nan 8.250 nan 0.000 0.491 14 P HA -0.062 nan 4.420 nan 0.000 0.264 14 P C 0.813 178.137 177.300 0.041 0.000 1.193 14 P CA 0.796 63.913 63.100 0.028 0.000 0.763 14 P CB 0.749 32.457 31.700 0.014 0.000 0.810 15 G N 2.082 110.915 108.800 0.054 0.000 2.347 15 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.247 15 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.247 15 G C 0.442 175.388 174.900 0.077 0.000 1.037 15 G CA 0.216 45.351 45.100 0.059 0.000 0.622 15 G HN 0.536 nan 8.290 nan 0.000 0.521 16 M N 0.715 120.366 119.600 0.084 0.000 2.036 16 M HA 0.475 4.955 4.480 -0.000 0.000 0.276 16 M C -0.085 176.307 176.300 0.154 0.000 1.262 16 M CA 0.367 55.731 55.300 0.107 0.000 1.097 16 M CB 0.636 33.296 32.600 0.100 0.000 1.386 16 M HN 0.361 nan 8.290 nan 0.000 0.482 17 D N -0.592 119.922 120.400 0.191 0.000 2.609 17 D HA 0.326 4.966 4.640 -0.000 0.000 0.239 17 D C -0.784 175.713 176.300 0.328 0.000 1.229 17 D CA -0.249 53.916 54.000 0.274 0.000 0.808 17 D CB 1.728 42.680 40.800 0.252 0.000 1.448 17 D HN 0.785 nan 8.370 nan 0.000 0.433 18 G N 1.230 110.276 108.800 0.410 0.000 2.760 18 G HA2 0.224 4.184 3.960 -0.000 0.000 0.236 18 G HA3 0.224 4.184 3.960 -0.000 0.000 0.236 18 G C -2.244 172.940 174.900 0.473 0.000 1.243 18 G CA -0.447 44.868 45.100 0.358 0.000 0.850 18 G HN 0.357 nan 8.290 nan 0.000 0.595 19 P HA 0.318 nan 4.420 nan 0.000 0.282 19 P C -0.646 176.820 177.300 0.277 0.000 1.249 19 P CA -0.450 62.822 63.100 0.287 0.000 0.806 19 P CB 1.856 33.696 31.700 0.233 0.000 0.984 20 K N 0.957 121.445 120.400 0.148 0.000 2.706 20 K HA 0.170 4.490 4.320 -0.000 0.000 0.203 20 K C -0.097 176.539 176.600 0.061 0.000 1.102 20 K CA -0.496 55.834 56.287 0.071 0.000 1.058 20 K CB 0.973 33.462 32.500 -0.019 0.000 0.779 20 K HN 0.184 nan 8.250 nan 0.000 0.483 21 V N 2.581 122.542 119.914 0.080 0.000 2.441 21 V HA -0.043 4.077 4.120 -0.000 0.000 0.279 21 V C 0.291 176.433 176.094 0.080 0.000 0.990 21 V CA 0.391 62.729 62.300 0.063 0.000 1.116 21 V CB -0.058 31.800 31.823 0.058 0.000 0.977 21 V HN 0.206 nan 8.190 nan 0.000 0.470 22 K N 5.357 125.797 120.400 0.067 0.000 2.188 22 K HA 0.120 4.439 4.320 -0.000 0.000 0.246 22 K C 0.445 177.138 176.600 0.154 0.000 1.026 22 K CA 0.089 56.427 56.287 0.085 0.000 0.871 22 K CB 0.314 32.846 32.500 0.052 0.000 1.042 22 K HN 0.821 nan 8.250 nan 0.000 0.509 23 Q N 1.731 121.628 119.800 0.162 0.000 2.286 23 Q HA 0.004 4.344 4.340 -0.000 0.000 0.265 23 Q C -0.769 175.416 176.000 0.309 0.000 1.080 23 Q CA 0.038 55.981 55.803 0.235 0.000 0.906 23 Q CB 0.046 28.880 28.738 0.160 0.000 1.227 23 Q HN 0.462 nan 8.270 nan 0.000 0.409 24 W N 7.396 128.810 121.300 0.190 0.000 2.360 24 W HA 0.314 4.974 4.660 -0.000 0.000 0.344 24 W C -2.287 174.249 176.519 0.030 0.000 1.025 24 W CA -2.798 54.633 57.345 0.142 0.000 1.480 24 W CB 0.338 29.958 29.460 0.267 0.000 1.350 24 W HN 0.531 nan 8.180 nan 0.000 0.382 25 P HA 0.317 nan 4.420 nan 0.000 0.272 25 P C -0.987 176.208 177.300 -0.174 0.000 1.240 25 P CA 0.040 63.131 63.100 -0.014 0.000 0.791 25 P CB 1.883 33.609 31.700 0.043 0.000 0.978 26 L N -0.499 120.614 121.223 -0.183 0.000 2.479 26 L HA 0.337 4.677 4.340 -0.000 0.000 0.255 26 L C 1.084 177.885 176.870 -0.115 0.000 1.026 26 L CA -0.987 53.731 54.840 -0.203 0.000 0.842 26 L CB 2.073 43.948 42.059 -0.307 0.000 1.444 26 L HN 0.487 nan 8.230 nan 0.000 0.409 27 T N -2.806 111.694 114.554 -0.090 0.000 2.560 27 T HA -0.018 4.332 4.350 -0.000 0.000 0.354 27 T C 0.755 175.425 174.700 -0.051 0.000 1.051 27 T CA -0.171 61.895 62.100 -0.058 0.000 1.032 27 T CB 0.312 69.152 68.868 -0.047 0.000 1.057 27 T HN 0.626 nan 8.240 nan 0.000 0.529 28 E N 0.563 120.738 120.200 -0.040 0.000 2.512 28 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 28 E C 1.681 178.257 176.600 -0.040 0.000 1.083 28 E CA 0.327 56.705 56.400 -0.038 0.000 0.873 28 E CB -0.247 29.432 29.700 -0.035 0.000 0.897 28 E HN 0.896 nan 8.360 nan 0.000 0.514 29 E N 1.975 122.152 120.200 -0.037 0.000 1.949 29 E HA -0.175 4.175 4.350 -0.000 0.000 0.205 29 E C 1.382 177.958 176.600 -0.040 0.000 0.957 29 E CA 0.638 57.017 56.400 -0.035 0.000 0.886 29 E CB -0.395 29.299 29.700 -0.009 0.000 0.824 29 E HN -0.051 nan 8.360 nan 0.000 0.555 30 K N 0.228 120.634 120.400 0.010 0.000 2.520 30 K HA -0.106 4.214 4.320 -0.000 0.000 0.197 30 K C 1.930 178.543 176.600 0.022 0.000 1.044 30 K CA 0.730 57.049 56.287 0.054 0.000 0.938 30 K CB -0.197 32.409 32.500 0.176 0.000 0.767 30 K HN 0.318 nan 8.250 nan 0.000 0.481 31 I N 1.407 121.974 120.570 -0.006 0.000 2.454 31 I HA -0.249 3.921 4.170 -0.000 0.000 0.254 31 I C 2.254 178.365 176.117 -0.010 0.000 1.156 31 I CA 1.462 62.762 61.300 -0.000 0.000 1.433 31 I CB -0.771 37.218 38.000 -0.018 0.000 1.082 31 I HN 0.227 nan 8.210 nan 0.000 0.432 32 K N 1.330 121.701 120.400 -0.048 0.000 2.044 32 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 32 K C 2.308 178.867 176.600 -0.068 0.000 1.049 32 K CA 1.247 57.496 56.287 -0.063 0.000 0.945 32 K CB -0.002 32.437 32.500 -0.101 0.000 0.724 32 K HN 0.135 nan 8.250 nan 0.000 0.440 33 A N 1.832 124.575 122.820 -0.128 0.000 1.881 33 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 33 A C 2.182 179.785 177.584 0.032 0.000 1.215 33 A CA 2.057 54.009 52.037 -0.143 0.000 0.648 33 A CB -1.049 17.806 19.000 -0.242 0.000 0.832 33 A HN 0.363 nan 8.150 nan 0.000 0.455 34 L N -0.993 120.286 121.223 0.093 0.000 1.994 34 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 34 L C 2.529 179.481 176.870 0.136 0.000 1.071 34 L CA 1.210 56.138 54.840 0.147 0.000 0.745 34 L CB -0.705 41.459 42.059 0.175 0.000 0.892 34 L HN 0.256 nan 8.230 nan 0.000 0.431 35 V N 0.178 120.152 119.914 0.100 0.000 2.439 35 V HA -0.329 3.791 4.120 -0.000 0.000 0.253 35 V C 2.431 178.576 176.094 0.086 0.000 1.074 35 V CA 1.934 64.294 62.300 0.101 0.000 1.076 35 V CB -0.509 31.340 31.823 0.043 0.000 0.664 35 V HN 0.496 nan 8.190 nan 0.000 0.461 36 E N -0.260 119.968 120.200 0.047 0.000 2.028 36 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 36 E C 2.163 178.788 176.600 0.042 0.000 0.988 36 E CA 1.565 57.981 56.400 0.026 0.000 0.799 36 E CB -0.196 29.500 29.700 -0.006 0.000 0.755 36 E HN 0.576 nan 8.360 nan 0.000 0.447 37 I N 1.591 122.200 120.570 0.066 0.000 2.113 37 I HA -0.269 3.901 4.170 -0.000 0.000 0.238 37 I C 2.886 179.030 176.117 0.044 0.000 1.070 37 I CA 1.118 62.456 61.300 0.063 0.000 1.332 37 I CB -0.730 37.333 38.000 0.105 0.000 1.044 37 I HN 0.317 nan 8.210 nan 0.000 0.402 38 C N -0.396 118.967 119.300 0.106 0.000 2.485 38 C HA 0.047 4.506 4.460 -0.000 0.000 0.283 38 C C 2.233 177.200 174.990 -0.038 0.000 1.478 38 C CA 0.503 59.572 59.018 0.084 0.000 1.741 38 C CB -1.960 25.976 27.740 0.328 0.000 1.675 38 C HN 0.463 nan 8.230 nan 0.000 0.573 39 T N 0.015 114.576 114.554 0.012 0.000 3.038 39 T HA 0.058 4.408 4.350 -0.000 0.000 0.244 39 T C 1.681 176.353 174.700 -0.046 0.000 1.016 39 T CA 0.553 62.648 62.100 -0.008 0.000 1.098 39 T CB -0.111 68.789 68.868 0.053 0.000 0.954 39 T HN 0.449 nan 8.240 nan 0.000 0.469 40 E N 1.537 121.716 120.200 -0.036 0.000 2.204 40 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 40 E C 1.878 178.427 176.600 -0.085 0.000 0.989 40 E CA 0.834 57.207 56.400 -0.045 0.000 0.824 40 E CB -0.207 29.475 29.700 -0.029 0.000 0.756 40 E HN 0.528 nan 8.360 nan 0.000 0.477 41 M N -0.029 119.498 119.600 -0.122 0.000 2.191 41 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 41 M C 2.257 178.446 176.300 -0.186 0.000 1.083 41 M CA 0.804 55.991 55.300 -0.188 0.000 1.154 41 M CB -0.191 32.261 32.600 -0.245 0.000 1.344 41 M HN -0.023 nan 8.290 nan 0.000 0.431 42 E N 1.335 121.397 120.200 -0.231 0.000 2.324 42 E HA -0.294 4.055 4.350 -0.000 0.000 0.205 42 E C 1.175 177.687 176.600 -0.146 0.000 1.031 42 E CA 1.510 57.751 56.400 -0.265 0.000 0.836 42 E CB 0.003 29.512 29.700 -0.319 0.000 0.742 42 E HN 0.357 nan 8.360 nan 0.000 0.491 43 K N -0.518 119.818 120.400 -0.106 0.000 2.200 43 K HA -0.343 3.977 4.320 -0.000 0.000 0.206 43 K C 2.044 178.612 176.600 -0.052 0.000 0.782 43 K CA 2.659 58.906 56.287 -0.067 0.000 1.047 43 K CB -0.358 32.105 32.500 -0.062 0.000 0.989 43 K HN 0.342 nan 8.250 nan 0.000 0.595 44 E N -3.038 117.132 120.200 -0.050 0.000 2.662 44 E HA 0.036 4.386 4.350 -0.000 0.000 0.205 44 E C 1.356 177.940 176.600 -0.026 0.000 1.003 44 E CA 0.492 56.873 56.400 -0.031 0.000 1.685 44 E CB 0.468 30.157 29.700 -0.019 0.000 2.386 44 E HN 0.314 nan 8.360 nan 0.000 1.092 45 G N 0.972 109.755 108.800 -0.028 0.000 2.598 45 G HA2 0.018 3.978 3.960 -0.000 0.000 0.225 45 G HA3 0.018 3.978 3.960 -0.000 0.000 0.225 45 G C 1.017 175.916 174.900 -0.000 0.000 1.631 45 G CA 0.486 45.584 45.100 -0.005 0.000 0.821 45 G HN 0.019 nan 8.290 nan 0.000 0.610 46 K N -0.022 120.368 120.400 -0.017 0.000 2.270 46 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 46 K C 1.035 177.671 176.600 0.060 0.000 1.041 46 K CA 1.983 58.271 56.287 0.002 0.000 0.935 46 K CB -0.458 31.905 32.500 -0.228 0.000 0.731 46 K HN 0.605 nan 8.250 nan 0.000 0.482 47 I N -7.014 113.525 120.570 -0.052 0.000 3.434 47 I HA 0.422 4.592 4.170 -0.000 0.000 0.317 47 I C -1.184 174.856 176.117 -0.129 0.000 1.230 47 I CA -1.149 60.100 61.300 -0.084 0.000 0.918 47 I CB 2.452 40.321 38.000 -0.217 0.000 1.337 47 I HN -0.367 nan 8.210 nan 0.000 0.482 48 S N 0.112 115.731 115.700 -0.135 0.000 2.537 48 S HA 0.350 4.820 4.470 -0.000 0.000 0.271 48 S C -1.486 173.126 174.600 0.019 0.000 1.148 48 S CA -0.994 57.156 58.200 -0.084 0.000 0.868 48 S CB 1.912 65.106 63.200 -0.011 0.000 1.115 48 S HN 0.722 nan 8.310 nan 0.000 0.461 49 K N 2.395 122.856 120.400 0.101 0.000 2.319 49 K HA 0.162 4.482 4.320 -0.000 0.000 0.277 49 K C -0.341 176.311 176.600 0.086 0.000 1.111 49 K CA 0.332 56.741 56.287 0.204 0.000 1.093 49 K CB -0.811 31.772 32.500 0.139 0.000 0.910 49 K HN 0.467 nan 8.250 nan 0.000 0.452 50 I N 3.271 123.876 120.570 0.058 0.000 2.471 50 I HA 0.057 4.227 4.170 -0.000 0.000 0.286 50 I C 1.336 177.450 176.117 -0.005 0.000 1.079 50 I CA -0.395 60.915 61.300 0.017 0.000 1.398 50 I CB 0.407 38.406 38.000 -0.002 0.000 1.403 50 I HN 0.783 nan 8.210 nan 0.000 0.530 51 G N 7.105 115.908 108.800 0.004 0.000 2.443 51 G HA2 0.049 4.009 3.960 -0.000 0.000 0.286 51 G HA3 0.049 4.009 3.960 -0.000 0.000 0.286 51 G C -1.004 173.885 174.900 -0.017 0.000 1.393 51 G CA -0.345 44.752 45.100 -0.005 0.000 1.080 51 G HN 0.575 nan 8.290 nan 0.000 0.566 52 P HA -0.042 nan 4.420 nan 0.000 0.217 52 P C 1.330 178.615 177.300 -0.025 0.000 1.154 52 P CA 1.178 64.263 63.100 -0.026 0.000 0.841 52 P CB 0.087 31.774 31.700 -0.022 0.000 0.788 53 E N 0.308 120.498 120.200 -0.016 0.000 2.352 53 E HA -0.199 4.151 4.350 -0.000 0.000 0.203 53 E C 0.442 177.030 176.600 -0.021 0.000 1.024 53 E CA 0.179 56.569 56.400 -0.016 0.000 0.842 53 E CB -0.628 29.071 29.700 -0.001 0.000 0.753 53 E HN 0.182 nan 8.360 nan 0.000 0.508 54 N N 0.608 119.300 118.700 -0.013 0.000 2.429 54 N HA -0.031 4.709 4.740 -0.000 0.000 0.271 54 N C -1.959 173.518 175.510 -0.055 0.000 1.272 54 N CA -0.806 52.242 53.050 -0.002 0.000 0.921 54 N CB 1.041 39.539 38.487 0.018 0.000 1.128 54 N HN -0.009 nan 8.380 nan 0.000 0.481 55 P HA 0.055 nan 4.420 nan 0.000 0.228 55 P C -0.768 176.281 177.300 -0.418 0.000 1.166 55 P CA 0.625 63.517 63.100 -0.347 0.000 0.812 55 P CB 0.293 31.647 31.700 -0.576 0.000 0.857 56 Y N -0.238 120.028 120.300 -0.057 0.000 2.392 56 Y HA 0.530 5.080 4.550 -0.000 0.000 0.323 56 Y C 0.595 176.515 175.900 0.033 0.000 1.291 56 Y CA -0.656 57.434 58.100 -0.018 0.000 1.345 56 Y CB 0.544 38.979 38.460 -0.041 0.000 1.320 56 Y HN -0.272 nan 8.280 nan 0.000 0.518 57 N N -0.848 117.987 118.700 0.223 0.000 2.777 57 N HA 0.270 5.010 4.740 -0.000 0.000 0.260 57 N C -2.061 173.553 175.510 0.173 0.000 1.113 57 N CA -0.368 52.791 53.050 0.183 0.000 0.996 57 N CB 1.077 39.639 38.487 0.125 0.000 1.584 57 N HN 0.573 nan 8.380 nan 0.000 0.573 58 T N 4.013 118.674 114.554 0.178 0.000 3.053 58 T HA 0.375 4.725 4.350 -0.000 0.000 0.363 58 T C -2.665 172.039 174.700 0.008 0.000 1.239 58 T CA -1.094 61.049 62.100 0.072 0.000 1.071 58 T CB 1.157 70.061 68.868 0.060 0.000 1.089 58 T HN 0.325 nan 8.240 nan 0.000 0.527 59 P HA -0.022 nan 4.420 nan 0.000 0.255 59 P C 0.183 177.433 177.300 -0.084 0.000 1.161 59 P CA 0.024 63.130 63.100 0.011 0.000 0.768 59 P CB 0.174 31.815 31.700 -0.099 0.000 0.746 60 V N 2.572 122.600 119.914 0.189 0.000 2.498 60 V HA 0.493 4.613 4.120 -0.000 0.000 0.279 60 V C -0.415 175.989 176.094 0.517 0.000 1.048 60 V CA -0.424 61.983 62.300 0.178 0.000 0.967 60 V CB 0.245 32.180 31.823 0.186 0.000 0.988 60 V HN 0.179 nan 8.190 nan 0.000 0.473 61 F N 3.280 123.239 119.950 0.015 0.000 2.496 61 F HA 0.754 5.281 4.527 -0.000 0.000 0.341 61 F C 0.646 176.453 175.800 0.011 0.000 1.134 61 F CA -1.341 56.663 58.000 0.007 0.000 0.968 61 F CB 1.415 40.403 39.000 -0.020 0.000 1.205 61 F HN 0.875 nan 8.300 nan 0.000 0.436 62 A N 5.264 128.187 122.820 0.170 0.000 2.491 62 A HA 0.519 4.839 4.320 -0.000 0.000 0.261 62 A C 0.075 177.696 177.584 0.062 0.000 1.101 62 A CA -0.048 52.069 52.037 0.134 0.000 0.772 62 A CB -0.616 18.497 19.000 0.188 0.000 1.043 62 A HN 0.725 nan 8.150 nan 0.000 0.501 63 I N -0.046 120.530 120.570 0.009 0.000 2.698 63 I HA 0.605 4.775 4.170 -0.000 0.000 0.276 63 I C 0.679 176.678 176.117 -0.196 0.000 1.166 63 I CA -0.500 60.754 61.300 -0.076 0.000 1.101 63 I CB 0.936 38.914 38.000 -0.036 0.000 1.305 63 I HN 0.452 nan 8.210 nan 0.000 0.526 64 K N 5.066 125.209 120.400 -0.429 0.000 2.296 64 K HA -0.052 4.268 4.320 -0.000 0.000 0.200 64 K C 1.812 178.077 176.600 -0.557 0.000 1.048 64 K CA 1.521 57.365 56.287 -0.738 0.000 0.966 64 K CB -0.530 30.737 32.500 -2.056 0.000 0.754 64 K HN 0.882 nan 8.250 nan 0.000 0.466 65 K N 0.941 121.100 120.400 -0.402 0.000 2.293 65 K HA -0.212 4.108 4.320 -0.000 0.000 0.204 65 K C 2.069 178.555 176.600 -0.190 0.000 1.045 65 K CA 1.724 57.850 56.287 -0.267 0.000 0.933 65 K CB 0.035 32.432 32.500 -0.171 0.000 0.736 65 K HN 0.301 nan 8.250 nan 0.000 0.463 66 K N 0.941 121.239 120.400 -0.170 0.000 2.305 66 K HA -0.014 4.306 4.320 -0.000 0.000 0.199 66 K C -0.469 176.065 176.600 -0.109 0.000 1.047 66 K CA 0.656 56.876 56.287 -0.112 0.000 0.976 66 K CB 0.282 32.733 32.500 -0.082 0.000 0.765 66 K HN 0.169 nan 8.250 nan 0.000 0.474 67 D N 0.793 121.100 120.400 -0.154 0.000 2.362 67 D HA 0.066 4.706 4.640 -0.000 0.000 0.247 67 D C 0.538 176.745 176.300 -0.154 0.000 1.050 67 D CA -0.032 53.897 54.000 -0.117 0.000 0.839 67 D CB 2.334 43.086 40.800 -0.080 0.000 1.283 67 D HN 0.176 nan 8.370 nan 0.000 0.477 68 S N 1.468 117.123 115.700 -0.075 0.000 2.288 68 S HA -0.120 4.350 4.470 -0.000 0.000 0.174 68 S C 1.646 176.260 174.600 0.024 0.000 1.328 68 S CA 0.961 59.133 58.200 -0.046 0.000 2.112 68 S CB -0.760 62.437 63.200 -0.006 0.000 0.609 68 S HN 0.453 nan 8.310 nan 0.000 0.358 69 T N 2.288 116.891 114.554 0.081 0.000 2.969 69 T HA 0.037 4.387 4.350 -0.000 0.000 0.271 69 T C 0.526 175.371 174.700 0.243 0.000 1.127 69 T CA 1.086 63.279 62.100 0.155 0.000 1.102 69 T CB -0.315 68.613 68.868 0.100 0.000 0.855 69 T HN 0.266 nan 8.240 nan 0.000 0.536 70 K N 0.304 120.815 120.400 0.185 0.000 2.207 70 K HA 0.238 4.558 4.320 -0.000 0.000 0.255 70 K C -1.007 175.732 176.600 0.233 0.000 0.941 70 K CA -0.507 55.921 56.287 0.236 0.000 0.825 70 K CB 1.609 34.182 32.500 0.122 0.000 1.119 70 K HN 0.290 nan 8.250 nan 0.000 0.430 71 W N 2.618 123.929 121.300 0.018 0.000 2.311 71 W HA 0.166 4.826 4.660 -0.000 0.000 0.317 71 W C 0.669 177.207 176.519 0.030 0.000 1.065 71 W CA -0.448 56.910 57.345 0.021 0.000 1.364 71 W CB 0.765 30.237 29.460 0.020 0.000 1.233 71 W HN 0.553 nan 8.180 nan 0.000 0.409 72 R N 3.256 123.765 120.500 0.015 0.000 2.491 72 R HA 0.074 4.414 4.340 -0.000 0.000 0.283 72 R C -0.261 176.086 176.300 0.079 0.000 1.072 72 R CA -0.115 56.008 56.100 0.038 0.000 1.048 72 R CB 0.443 30.727 30.300 -0.026 0.000 0.983 72 R HN 0.535 nan 8.270 nan 0.000 0.450 73 K N 2.584 123.047 120.400 0.106 0.000 2.264 73 K HA 0.427 4.747 4.320 -0.000 0.000 0.277 73 K C -1.314 175.335 176.600 0.081 0.000 1.067 73 K CA -0.479 55.877 56.287 0.116 0.000 0.900 73 K CB 0.701 33.289 32.500 0.147 0.000 1.124 73 K HN 0.433 nan 8.250 nan 0.000 0.469 74 L N 6.338 127.598 121.223 0.061 0.000 2.345 74 L HA 0.330 4.670 4.340 -0.000 0.000 0.274 74 L C -0.973 175.887 176.870 -0.016 0.000 0.999 74 L CA -0.591 54.264 54.840 0.024 0.000 0.849 74 L CB 1.407 43.479 42.059 0.021 0.000 1.220 74 L HN 0.433 nan 8.230 nan 0.000 0.422 75 V N 2.492 122.349 119.914 -0.095 0.000 3.556 75 V HA 0.522 4.642 4.120 -0.000 0.000 0.292 75 V C -0.502 175.401 176.094 -0.317 0.000 1.030 75 V CA -0.568 61.562 62.300 -0.283 0.000 1.009 75 V CB 1.605 33.083 31.823 -0.575 0.000 1.242 75 V HN 0.790 nan 8.190 nan 0.000 0.431 76 D N -1.412 118.700 120.400 -0.481 0.000 2.763 76 D HA 0.376 5.016 4.640 -0.000 0.000 0.235 76 D C -0.567 175.536 176.300 -0.328 0.000 1.334 76 D CA -0.426 53.402 54.000 -0.286 0.000 0.950 76 D CB 1.062 41.723 40.800 -0.232 0.000 1.433 76 D HN 0.274 nan 8.370 nan 0.000 0.580 77 F N 2.666 122.643 119.950 0.045 0.000 2.693 77 F HA 0.102 4.629 4.527 -0.000 0.000 0.303 77 F C 2.454 178.319 175.800 0.108 0.000 1.097 77 F CA -0.534 57.530 58.000 0.106 0.000 1.330 77 F CB 0.152 39.261 39.000 0.182 0.000 1.067 77 F HN 0.307 nan 8.300 nan 0.000 0.565 78 R N 1.220 121.827 120.500 0.179 0.000 2.227 78 R HA -0.297 4.043 4.340 -0.000 0.000 0.259 78 R C 1.322 177.706 176.300 0.141 0.000 1.139 78 R CA 2.329 58.506 56.100 0.128 0.000 0.969 78 R CB -1.102 29.237 30.300 0.064 0.000 0.903 78 R HN 0.330 nan 8.270 nan 0.000 0.452 79 E N -0.171 120.118 120.200 0.149 0.000 2.474 79 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 79 E C 1.465 178.194 176.600 0.216 0.000 1.039 79 E CA 0.021 56.513 56.400 0.154 0.000 0.881 79 E CB 0.077 29.852 29.700 0.124 0.000 0.970 79 E HN 0.358 nan 8.360 nan 0.000 0.486 80 L N 0.485 121.881 121.223 0.290 0.000 2.356 80 L HA 0.138 4.478 4.340 -0.000 0.000 0.193 80 L C 1.177 178.276 176.870 0.381 0.000 1.087 80 L CA 1.334 56.391 54.840 0.361 0.000 0.817 80 L CB -0.546 41.792 42.059 0.465 0.000 1.035 80 L HN 0.152 nan 8.230 nan 0.000 0.482 81 N N -0.769 118.163 118.700 0.388 0.000 2.609 81 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 81 N C 1.390 176.988 175.510 0.147 0.000 1.157 81 N CA 0.901 54.105 53.050 0.256 0.000 0.918 81 N CB -0.330 38.235 38.487 0.130 0.000 0.978 81 N HN 0.296 nan 8.380 nan 0.000 0.448 82 K N 0.999 121.497 120.400 0.164 0.000 2.067 82 K HA 0.163 4.483 4.320 -0.000 0.000 0.203 82 K C 1.702 178.370 176.600 0.112 0.000 1.048 82 K CA 0.683 57.036 56.287 0.110 0.000 0.954 82 K CB 0.144 32.709 32.500 0.110 0.000 0.737 82 K HN 0.079 nan 8.250 nan 0.000 0.444 83 R N 0.863 121.462 120.500 0.165 0.000 2.280 83 R HA 0.008 4.348 4.340 -0.000 0.000 0.207 83 R C 0.418 176.818 176.300 0.166 0.000 1.043 83 R CA 0.740 56.942 56.100 0.169 0.000 1.006 83 R CB -1.335 29.099 30.300 0.224 0.000 0.885 83 R HN 0.320 nan 8.270 nan 0.000 0.467 84 T N -0.380 114.286 114.554 0.188 0.000 2.910 84 T HA 0.195 4.545 4.350 -0.000 0.000 0.293 84 T C 0.748 175.399 174.700 -0.081 0.000 1.015 84 T CA -0.884 61.302 62.100 0.143 0.000 1.094 84 T CB 1.470 70.528 68.868 0.317 0.000 0.968 84 T HN 0.314 nan 8.240 nan 0.000 0.521 85 Q N 2.029 121.691 119.800 -0.230 0.000 3.055 85 Q HA 0.226 4.566 4.340 -0.000 0.000 0.190 85 Q C -1.013 174.643 176.000 -0.574 0.000 1.173 85 Q CA -0.073 55.511 55.803 -0.366 0.000 1.266 85 Q CB -0.057 28.412 28.738 -0.449 0.000 1.338 85 Q HN 0.741 nan 8.270 nan 0.000 0.707 86 D N -1.364 118.667 120.400 -0.614 0.000 2.423 86 D HA 0.564 5.204 4.640 -0.000 0.000 0.235 86 D C -1.219 174.614 176.300 -0.778 0.000 1.011 86 D CA -0.460 53.198 54.000 -0.570 0.000 0.963 86 D CB 1.010 41.673 40.800 -0.228 0.000 1.349 86 D HN 0.375 nan 8.370 nan 0.000 0.508 87 F N -0.584 119.319 119.950 -0.080 0.000 2.631 87 F HA 0.383 4.910 4.527 -0.000 0.000 0.328 87 F C 0.027 175.877 175.800 0.083 0.000 1.067 87 F CA -1.293 56.689 58.000 -0.030 0.000 0.969 87 F CB 0.870 39.801 39.000 -0.114 0.000 1.332 87 F HN 0.266 nan 8.300 nan 0.000 0.490 88 W N 2.111 123.474 121.300 0.104 0.000 2.160 88 W HA 0.096 4.756 4.660 -0.000 0.000 0.352 88 W C -0.162 176.373 176.519 0.027 0.000 1.288 88 W CA -0.384 56.978 57.345 0.029 0.000 1.279 88 W CB 0.575 30.041 29.460 0.010 0.000 1.181 88 W HN 0.560 nan 8.180 nan 0.000 0.593 89 E N 1.103 120.734 120.200 -0.948 0.000 2.418 89 E HA 0.016 4.366 4.350 -0.000 0.000 0.261 89 E C -0.588 175.655 176.600 -0.594 0.000 1.070 89 E CA -0.161 55.769 56.400 -0.783 0.000 0.931 89 E CB 1.106 30.223 29.700 -0.971 0.000 0.954 89 E HN 0.147 nan 8.360 nan 0.000 0.439 90 V N 4.413 124.120 119.914 -0.343 0.000 2.218 90 V HA -0.012 4.108 4.120 -0.000 0.000 0.261 90 V C -0.257 175.726 176.094 -0.184 0.000 1.142 90 V CA -0.500 61.664 62.300 -0.227 0.000 0.965 90 V CB 0.323 32.049 31.823 -0.161 0.000 1.190 90 V HN 0.569 nan 8.190 nan 0.000 0.478 91 Q N 2.832 122.502 119.800 -0.217 0.000 3.700 91 Q HA -0.157 4.183 4.340 -0.000 0.000 0.401 91 Q C -0.317 175.660 176.000 -0.039 0.000 1.030 91 Q CA 0.625 56.345 55.803 -0.139 0.000 1.246 91 Q CB 0.155 28.841 28.738 -0.088 0.000 1.132 91 Q HN 0.524 nan 8.270 nan 0.000 0.504 92 L N 2.495 123.691 121.223 -0.045 0.000 2.495 92 L HA 0.469 4.809 4.340 -0.000 0.000 0.248 92 L C -0.070 176.792 176.870 -0.013 0.000 1.229 92 L CA 0.161 55.005 54.840 0.005 0.000 0.942 92 L CB 0.993 43.050 42.059 -0.002 0.000 1.242 92 L HN 0.542 nan 8.230 nan 0.000 0.484 93 G N 4.292 113.090 108.800 -0.005 0.000 3.764 93 G HA2 0.311 4.271 3.960 -0.000 0.000 0.333 93 G HA3 0.311 4.271 3.960 -0.000 0.000 0.333 93 G C -0.072 174.821 174.900 -0.012 0.000 1.551 93 G CA -0.422 44.666 45.100 -0.020 0.000 0.995 93 G HN 0.390 nan 8.290 nan 0.000 0.485 94 I N 2.205 122.755 120.570 -0.033 0.000 3.136 94 I HA -0.070 4.100 4.170 -0.000 0.000 0.298 94 I C -1.707 174.425 176.117 0.025 0.000 1.232 94 I CA -0.631 60.653 61.300 -0.028 0.000 1.379 94 I CB 0.357 38.284 38.000 -0.121 0.000 1.411 94 I HN 0.180 nan 8.210 nan 0.000 0.532 95 P HA -0.086 nan 4.420 nan 0.000 0.260 95 P C -0.271 176.957 177.300 -0.120 0.000 1.185 95 P CA 0.287 63.344 63.100 -0.070 0.000 0.763 95 P CB 0.166 31.775 31.700 -0.151 0.000 0.776 96 H N 7.001 125.877 119.070 -0.324 0.000 2.929 96 H HA 0.037 4.593 4.556 -0.000 0.000 0.317 96 H C -0.867 174.045 175.328 -0.693 0.000 1.031 96 H CA -1.296 54.452 56.048 -0.501 0.000 1.466 96 H CB 0.766 30.218 29.762 -0.516 0.000 1.482 96 H HN 0.378 nan 8.280 nan 0.000 0.561 97 P HA -0.316 nan 4.420 nan 0.000 0.216 97 P C 1.161 177.961 177.300 -0.832 0.000 1.154 97 P CA 1.958 64.522 63.100 -0.892 0.000 0.865 97 P CB -0.082 30.915 31.700 -1.172 0.000 0.789 98 A N 0.061 122.400 122.820 -0.801 0.000 2.104 98 A HA -0.119 4.201 4.320 -0.000 0.000 0.223 98 A C 2.149 179.689 177.584 -0.074 0.000 1.164 98 A CA 1.911 53.706 52.037 -0.403 0.000 0.659 98 A CB -1.622 17.162 19.000 -0.360 0.000 0.808 98 A HN 0.396 nan 8.150 nan 0.000 0.465 99 G N -0.975 107.627 108.800 -0.330 0.000 3.959 99 G HA2 0.492 4.452 3.960 -0.000 0.000 0.298 99 G HA3 0.492 4.452 3.960 -0.000 0.000 0.298 99 G C -0.050 174.757 174.900 -0.156 0.000 1.211 99 G CA -0.386 44.587 45.100 -0.211 0.000 1.001 99 G HN 0.302 nan 8.290 nan 0.000 0.561 100 L N -0.141 120.925 121.223 -0.262 0.000 2.334 100 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 100 L C -0.321 176.380 176.870 -0.281 0.000 1.018 100 L CA -1.179 53.418 54.840 -0.405 0.000 0.811 100 L CB 1.965 43.548 42.059 -0.793 0.000 1.271 100 L HN -0.076 nan 8.230 nan 0.000 0.443 101 K N 1.468 121.751 120.400 -0.194 0.000 2.130 101 K HA 0.263 4.583 4.320 -0.000 0.000 0.268 101 K C -0.467 176.149 176.600 0.027 0.000 0.983 101 K CA -0.654 55.618 56.287 -0.025 0.000 0.893 101 K CB 0.979 33.483 32.500 0.007 0.000 1.066 101 K HN 0.253 nan 8.250 nan 0.000 0.450 102 K N 2.482 123.000 120.400 0.197 0.000 2.511 102 K HA -0.058 4.262 4.320 -0.000 0.000 0.280 102 K C -0.705 175.997 176.600 0.170 0.000 1.008 102 K CA 0.676 57.140 56.287 0.295 0.000 1.050 102 K CB 0.160 32.779 32.500 0.198 0.000 0.889 102 K HN 0.647 nan 8.250 nan 0.000 0.484 103 N N 2.720 121.535 118.700 0.191 0.000 2.284 103 N HA 0.154 4.894 4.740 -0.000 0.000 0.289 103 N C -0.110 175.452 175.510 0.087 0.000 1.179 103 N CA -0.864 52.252 53.050 0.109 0.000 0.774 103 N CB 1.538 40.084 38.487 0.099 0.000 1.548 103 N HN 0.440 nan 8.380 nan 0.000 0.473 104 K N -0.092 120.325 120.400 0.030 0.000 2.202 104 K HA 0.090 4.410 4.320 -0.000 0.000 0.201 104 K C 0.630 177.207 176.600 -0.038 0.000 1.051 104 K CA 0.691 56.981 56.287 0.006 0.000 0.977 104 K CB 0.015 32.509 32.500 -0.010 0.000 0.792 104 K HN 0.572 nan 8.250 nan 0.000 0.469 105 S N 0.162 115.787 115.700 -0.124 0.000 2.526 105 S HA 0.656 5.126 4.470 -0.000 0.000 0.293 105 S C -0.538 174.007 174.600 -0.092 0.000 1.092 105 S CA -0.788 57.259 58.200 -0.255 0.000 0.980 105 S CB 2.340 65.001 63.200 -0.897 0.000 1.048 105 S HN -0.144 nan 8.310 nan 0.000 0.483 106 V N 2.286 122.268 119.914 0.113 0.000 2.733 106 V HA 0.686 4.806 4.120 -0.000 0.000 0.306 106 V C -0.427 175.866 176.094 0.332 0.000 1.084 106 V CA -0.378 62.077 62.300 0.258 0.000 0.905 106 V CB 2.186 34.189 31.823 0.299 0.000 1.010 106 V HN 1.136 nan 8.190 nan 0.000 0.424 107 T N 2.969 117.686 114.554 0.272 0.000 2.907 107 T HA 0.829 5.179 4.350 -0.000 0.000 0.290 107 T C -1.031 173.646 174.700 -0.038 0.000 1.066 107 T CA -0.690 61.510 62.100 0.168 0.000 1.012 107 T CB 2.255 71.169 68.868 0.076 0.000 1.184 107 T HN 0.420 nan 8.240 nan 0.000 0.522 108 V N 1.977 121.847 119.914 -0.073 0.000 2.733 108 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 108 V C -1.152 174.849 176.094 -0.154 0.000 1.084 108 V CA -0.868 61.254 62.300 -0.296 0.000 0.905 108 V CB 1.703 33.237 31.823 -0.481 0.000 1.010 108 V HN 0.663 nan 8.190 nan 0.000 0.424 109 L N 3.036 124.164 121.223 -0.159 0.000 2.325 109 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 109 L C -0.683 176.163 176.870 -0.039 0.000 1.004 109 L CA -0.747 54.048 54.840 -0.075 0.000 0.823 109 L CB 1.777 43.797 42.059 -0.065 0.000 1.236 109 L HN 0.493 nan 8.230 nan 0.000 0.415 110 D N 1.945 122.337 120.400 -0.014 0.000 2.399 110 D HA 0.233 4.873 4.640 -0.000 0.000 0.241 110 D C 0.580 176.890 176.300 0.017 0.000 1.133 110 D CA 0.154 54.156 54.000 0.004 0.000 0.890 110 D CB 2.179 42.983 40.800 0.006 0.000 1.201 110 D HN 0.255 nan 8.370 nan 0.000 0.432 111 V N 0.796 120.721 119.914 0.019 0.000 3.699 111 V HA 0.143 4.263 4.120 -0.000 0.000 0.323 111 V C 1.864 177.898 176.094 -0.101 0.000 1.574 111 V CA 0.106 62.428 62.300 0.037 0.000 1.240 111 V CB 0.761 32.703 31.823 0.200 0.000 1.014 111 V HN 0.668 nan 8.190 nan 0.000 0.469 112 G N 0.535 109.239 108.800 -0.159 0.000 2.485 112 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 112 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 112 G C 0.980 175.602 174.900 -0.464 0.000 1.115 112 G CA 1.487 46.358 45.100 -0.380 0.000 0.751 112 G HN 0.503 nan 8.290 nan 0.000 0.567 113 D N 0.932 121.216 120.400 -0.194 0.000 2.123 113 D HA 0.015 4.655 4.640 -0.000 0.000 0.200 113 D C 2.845 179.162 176.300 0.028 0.000 0.976 113 D CA 0.995 54.964 54.000 -0.052 0.000 0.831 113 D CB -0.641 40.188 40.800 0.048 0.000 0.974 113 D HN 0.255 nan 8.370 nan 0.000 0.469 114 A N 1.068 123.890 122.820 0.002 0.000 1.957 114 A HA -0.343 3.977 4.320 -0.000 0.000 0.224 114 A C 1.945 179.597 177.584 0.113 0.000 1.287 114 A CA 1.956 54.040 52.037 0.078 0.000 0.682 114 A CB -1.446 17.620 19.000 0.110 0.000 0.833 114 A HN 0.232 nan 8.150 nan 0.000 0.482 115 Y N -1.446 118.648 120.300 -0.343 0.000 2.038 115 Y HA -0.313 4.237 4.550 -0.000 0.000 0.266 115 Y C 2.213 178.094 175.900 -0.031 0.000 1.220 115 Y CA 1.587 59.536 58.100 -0.253 0.000 1.107 115 Y CB -1.359 36.875 38.460 -0.377 0.000 0.932 115 Y HN 0.417 nan 8.280 nan 0.000 0.500 116 F N -0.575 119.457 119.950 0.137 0.000 2.449 116 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 116 F C 2.127 177.989 175.800 0.103 0.000 1.092 116 F CA 0.631 58.697 58.000 0.110 0.000 1.446 116 F CB 0.027 39.076 39.000 0.083 0.000 1.084 116 F HN 0.047 nan 8.300 nan 0.000 0.567 117 S N -0.689 115.185 115.700 0.291 0.000 2.370 117 S HA 0.010 4.480 4.470 -0.000 0.000 0.214 117 S C 0.698 175.410 174.600 0.187 0.000 1.033 117 S CA -0.149 58.176 58.200 0.208 0.000 0.941 117 S CB -0.281 63.032 63.200 0.187 0.000 0.886 117 S HN -0.144 nan 8.310 nan 0.000 0.521 118 V N 5.761 125.789 119.914 0.191 0.000 2.780 118 V HA -0.005 4.115 4.120 -0.000 0.000 0.301 118 V C -1.891 174.285 176.094 0.137 0.000 1.168 118 V CA -0.544 61.855 62.300 0.164 0.000 1.305 118 V CB -0.668 31.248 31.823 0.156 0.000 0.858 118 V HN 0.338 nan 8.190 nan 0.000 0.502 119 P HA 0.262 nan 4.420 nan 0.000 0.274 119 P C -0.755 176.599 177.300 0.089 0.000 1.246 119 P CA -0.356 62.807 63.100 0.105 0.000 0.795 119 P CB 1.053 32.810 31.700 0.094 0.000 1.006 120 L N 1.101 122.372 121.223 0.080 0.000 2.329 120 L HA 0.296 4.636 4.340 -0.000 0.000 0.279 120 L C 0.684 177.602 176.870 0.079 0.000 1.014 120 L CA -0.954 53.925 54.840 0.064 0.000 0.814 120 L CB 1.354 43.428 42.059 0.026 0.000 1.257 120 L HN 0.360 nan 8.230 nan 0.000 0.424 121 D N 2.427 122.885 120.400 0.096 0.000 2.583 121 D HA -0.110 4.530 4.640 -0.000 0.000 0.232 121 D C 1.082 177.443 176.300 0.102 0.000 1.128 121 D CA 0.359 54.418 54.000 0.098 0.000 0.859 121 D CB 0.955 41.818 40.800 0.105 0.000 1.169 121 D HN 0.397 nan 8.370 nan 0.000 0.481 122 E N 3.046 123.296 120.200 0.084 0.000 2.026 122 E HA -0.205 4.145 4.350 -0.000 0.000 0.206 122 E C 1.196 177.852 176.600 0.093 0.000 1.028 122 E CA 1.331 57.778 56.400 0.079 0.000 0.845 122 E CB -0.304 29.439 29.700 0.071 0.000 0.772 122 E HN 0.631 nan 8.360 nan 0.000 0.462 123 D N -0.411 120.051 120.400 0.105 0.000 2.417 123 D HA -0.165 4.475 4.640 -0.000 0.000 0.225 123 D C 1.242 177.622 176.300 0.134 0.000 0.983 123 D CA 0.518 54.596 54.000 0.129 0.000 0.949 123 D CB -0.299 40.571 40.800 0.115 0.000 0.879 123 D HN 0.146 nan 8.370 nan 0.000 0.520 124 F N -0.004 119.893 119.950 -0.088 0.000 2.706 124 F HA 0.264 4.791 4.527 -0.000 0.000 0.313 124 F C 1.741 177.432 175.800 -0.182 0.000 1.096 124 F CA -0.391 57.437 58.000 -0.288 0.000 1.219 124 F CB 0.300 39.134 39.000 -0.277 0.000 1.051 124 F HN -0.298 nan 8.300 nan 0.000 0.568 125 R N 0.781 121.186 120.500 -0.158 0.000 2.090 125 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 125 R C 1.559 177.845 176.300 -0.024 0.000 1.110 125 R CA 1.140 57.161 56.100 -0.131 0.000 0.973 125 R CB -0.187 30.119 30.300 0.011 0.000 0.869 125 R HN 0.198 nan 8.270 nan 0.000 0.440 126 K N 0.048 120.526 120.400 0.131 0.000 2.678 126 K HA -0.172 4.148 4.320 -0.000 0.000 0.194 126 K C 0.099 176.734 176.600 0.058 0.000 1.031 126 K CA 0.983 57.374 56.287 0.173 0.000 0.961 126 K CB 0.040 32.667 32.500 0.211 0.000 0.793 126 K HN 0.332 nan 8.250 nan 0.000 0.492 127 Y N -2.022 118.054 120.300 -0.373 0.000 2.590 127 Y HA 0.011 4.561 4.550 -0.000 0.000 0.263 127 Y C 1.969 177.728 175.900 -0.234 0.000 1.069 127 Y CA -0.188 57.622 58.100 -0.482 0.000 1.242 127 Y CB -0.087 37.952 38.460 -0.701 0.000 1.357 127 Y HN 0.066 nan 8.280 nan 0.000 0.556 128 T N -1.622 112.909 114.554 -0.039 0.000 3.088 128 T HA 0.304 4.654 4.350 -0.000 0.000 0.259 128 T C 1.236 176.190 174.700 0.424 0.000 1.122 128 T CA 0.364 62.552 62.100 0.147 0.000 1.095 128 T CB -0.510 68.428 68.868 0.116 0.000 0.930 128 T HN 0.256 nan 8.240 nan 0.000 0.508 129 A N 2.221 125.229 122.820 0.314 0.000 2.600 129 A HA 0.345 4.665 4.320 -0.000 0.000 0.253 129 A C 0.114 177.921 177.584 0.372 0.000 0.997 129 A CA -0.030 52.187 52.037 0.299 0.000 0.820 129 A CB -1.181 17.933 19.000 0.190 0.000 0.888 129 A HN 0.764 nan 8.150 nan 0.000 0.508 130 F N 0.776 120.816 119.950 0.151 0.000 2.546 130 F HA 0.780 5.307 4.527 -0.000 0.000 0.320 130 F C -0.016 175.846 175.800 0.102 0.000 1.076 130 F CA -0.785 57.290 58.000 0.125 0.000 0.928 130 F CB 1.837 40.920 39.000 0.139 0.000 1.189 130 F HN 0.340 nan 8.300 nan 0.000 0.465 131 T N 4.488 119.131 114.554 0.149 0.000 2.807 131 T HA 0.504 4.854 4.350 -0.000 0.000 0.279 131 T C -0.855 173.892 174.700 0.080 0.000 0.993 131 T CA -0.569 61.541 62.100 0.016 0.000 0.970 131 T CB 0.866 69.752 68.868 0.031 0.000 0.950 131 T HN 0.527 nan 8.240 nan 0.000 0.441 132 I N 6.222 126.777 120.570 -0.024 0.000 2.353 132 I HA 0.383 4.553 4.170 -0.000 0.000 0.293 132 I C -2.133 173.972 176.117 -0.021 0.000 0.992 132 I CA -2.847 58.460 61.300 0.012 0.000 1.268 132 I CB 1.657 39.639 38.000 -0.031 0.000 1.387 132 I HN 0.459 nan 8.210 nan 0.000 0.478 133 P HA 0.106 nan 4.420 nan 0.000 0.270 133 P C -0.009 177.272 177.300 -0.032 0.000 1.242 133 P CA 0.321 63.415 63.100 -0.010 0.000 0.768 133 P CB 0.714 32.407 31.700 -0.012 0.000 0.820 134 S N 2.438 118.114 115.700 -0.040 0.000 2.481 134 S HA 0.374 4.844 4.470 -0.000 0.000 0.267 134 S C 1.240 175.819 174.600 -0.035 0.000 1.174 134 S CA -0.559 57.612 58.200 -0.048 0.000 1.027 134 S CB 0.107 63.273 63.200 -0.058 0.000 1.117 134 S HN 0.307 nan 8.310 nan 0.000 0.495 135 I N 0.639 121.189 120.570 -0.034 0.000 4.070 135 I HA 0.212 4.382 4.170 -0.000 0.000 0.328 135 I C 0.330 176.434 176.117 -0.021 0.000 1.298 135 I CA -0.109 61.175 61.300 -0.027 0.000 1.173 135 I CB -0.122 37.862 38.000 -0.027 0.000 1.051 135 I HN 0.312 nan 8.210 nan 0.000 0.409 136 N N 0.942 119.629 118.700 -0.022 0.000 2.813 136 N HA 0.296 5.036 4.740 -0.000 0.000 0.320 136 N C 0.111 175.613 175.510 -0.013 0.000 1.315 136 N CA -0.515 52.524 53.050 -0.017 0.000 0.871 136 N CB 0.359 38.834 38.487 -0.019 0.000 1.241 136 N HN -0.070 nan 8.380 nan 0.000 0.602 137 N N 0.155 118.848 118.700 -0.011 0.000 2.415 137 N HA -0.011 4.729 4.740 -0.000 0.000 0.174 137 N C 0.559 176.063 175.510 -0.010 0.000 1.048 137 N CA 0.407 53.452 53.050 -0.008 0.000 0.895 137 N CB 0.121 38.605 38.487 -0.006 0.000 1.036 137 N HN 0.531 nan 8.380 nan 0.000 0.449 138 E N 0.896 121.088 120.200 -0.014 0.000 3.271 138 E HA 0.113 4.463 4.350 -0.000 0.000 0.332 138 E C 1.647 178.236 176.600 -0.019 0.000 1.505 138 E CA 0.993 57.384 56.400 -0.016 0.000 1.676 138 E CB -0.187 29.503 29.700 -0.017 0.000 1.053 138 E HN 0.314 nan 8.360 nan 0.000 0.687 139 T N -0.524 114.018 114.554 -0.021 0.000 2.623 139 T HA 0.100 4.450 4.350 -0.000 0.000 0.254 139 T C -1.151 173.530 174.700 -0.033 0.000 1.075 139 T CA 0.970 63.055 62.100 -0.025 0.000 1.177 139 T CB -1.734 67.119 68.868 -0.024 0.000 0.869 139 T HN 0.338 nan 8.240 nan 0.000 0.403 140 P HA 0.471 nan 4.420 nan 0.000 0.264 140 P C -0.174 177.090 177.300 -0.061 0.000 1.193 140 P CA 0.004 63.073 63.100 -0.051 0.000 0.763 140 P CB 0.974 32.643 31.700 -0.052 0.000 0.810 141 G N 1.761 110.514 108.800 -0.078 0.000 2.569 141 G HA2 0.541 4.501 3.960 -0.000 0.000 0.300 141 G HA3 0.541 4.501 3.960 -0.000 0.000 0.300 141 G C -0.784 174.024 174.900 -0.154 0.000 1.269 141 G CA -0.894 44.150 45.100 -0.093 0.000 0.959 141 G HN 0.455 nan 8.290 nan 0.000 0.478 142 I N 1.908 122.357 120.570 -0.202 0.000 2.471 142 I HA 0.125 4.295 4.170 -0.000 0.000 0.294 142 I C 0.222 176.072 176.117 -0.445 0.000 1.123 142 I CA -0.218 60.859 61.300 -0.371 0.000 1.336 142 I CB 0.211 37.959 38.000 -0.420 0.000 1.430 142 I HN -0.022 nan 8.210 nan 0.000 0.533 143 R N 6.170 126.411 120.500 -0.430 0.000 2.265 143 R HA 0.453 4.793 4.340 -0.000 0.000 0.319 143 R C -1.386 174.712 176.300 -0.336 0.000 1.006 143 R CA -0.616 55.287 56.100 -0.328 0.000 0.880 143 R CB 1.216 31.418 30.300 -0.165 0.000 1.077 143 R HN 0.298 nan 8.270 nan 0.000 0.454 144 Y N 1.392 121.391 120.300 -0.501 0.000 2.396 144 Y HA 0.213 4.763 4.550 -0.000 0.000 0.332 144 Y C 0.289 175.806 175.900 -0.638 0.000 1.034 144 Y CA -1.149 56.569 58.100 -0.635 0.000 1.057 144 Y CB 1.793 39.687 38.460 -0.943 0.000 1.220 144 Y HN 0.482 nan 8.280 nan 0.000 0.440 145 Q N 1.341 121.094 119.800 -0.078 0.000 2.297 145 Q HA 0.627 4.967 4.340 -0.000 0.000 0.269 145 Q C -1.590 174.484 176.000 0.124 0.000 1.051 145 Q CA -0.902 54.958 55.803 0.095 0.000 0.869 145 Q CB 2.055 30.856 28.738 0.105 0.000 1.346 145 Q HN 0.561 nan 8.270 nan 0.000 0.457 146 Y N 0.543 120.997 120.300 0.256 0.000 2.316 146 Y HA 0.289 4.838 4.550 -0.000 0.000 0.324 146 Y C 0.367 176.328 175.900 0.102 0.000 1.267 146 Y CA -0.248 57.980 58.100 0.213 0.000 1.311 146 Y CB 1.276 39.852 38.460 0.192 0.000 1.267 146 Y HN 0.736 nan 8.280 nan 0.000 0.516 147 N N 0.685 119.566 118.700 0.303 0.000 2.387 147 N HA 0.229 4.969 4.740 -0.000 0.000 0.259 147 N C -1.437 174.184 175.510 0.185 0.000 1.369 147 N CA 0.241 53.395 53.050 0.174 0.000 0.867 147 N CB 1.043 39.597 38.487 0.111 0.000 1.341 147 N HN 0.380 nan 8.380 nan 0.000 0.495 148 V N -3.488 116.573 119.914 0.244 0.000 3.230 148 V HA 0.499 4.619 4.120 -0.000 0.000 0.302 148 V C -0.562 175.599 176.094 0.111 0.000 1.421 148 V CA -1.093 61.336 62.300 0.214 0.000 1.065 148 V CB 1.786 33.806 31.823 0.330 0.000 1.097 148 V HN -0.134 nan 8.190 nan 0.000 0.460 149 L N 2.200 123.463 121.223 0.068 0.000 2.505 149 L HA 0.296 4.636 4.340 -0.000 0.000 0.279 149 L C -2.188 174.574 176.870 -0.179 0.000 1.211 149 L CA -1.133 53.682 54.840 -0.042 0.000 1.059 149 L CB -0.018 42.012 42.059 -0.048 0.000 1.340 149 L HN 0.492 nan 8.230 nan 0.000 0.447 150 P HA -0.108 nan 4.420 nan 0.000 0.254 150 P C -0.045 177.009 177.300 -0.409 0.000 1.186 150 P CA 0.155 62.833 63.100 -0.704 0.000 0.868 150 P CB 0.116 31.195 31.700 -1.034 0.000 0.856 151 Q N 3.091 122.670 119.800 -0.369 0.000 2.348 151 Q HA 0.006 4.346 4.340 -0.000 0.000 0.331 151 Q C 1.243 177.239 176.000 -0.007 0.000 1.099 151 Q CA 1.600 57.312 55.803 -0.150 0.000 1.021 151 Q CB -0.292 28.225 28.738 -0.369 0.000 1.166 151 Q HN 0.785 nan 8.270 nan 0.000 0.393 152 G N 3.217 112.040 108.800 0.037 0.000 2.349 152 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.213 152 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.213 152 G C -0.170 174.757 174.900 0.045 0.000 1.044 152 G CA -0.037 45.159 45.100 0.160 0.000 0.633 152 G HN 0.806 nan 8.290 nan 0.000 0.506 153 W N 2.142 123.051 121.300 -0.651 0.000 1.718 153 W HA 0.538 5.198 4.660 -0.000 0.000 0.341 153 W C 1.665 178.051 176.519 -0.222 0.000 1.432 153 W CA 1.070 58.016 57.345 -0.665 0.000 1.578 153 W CB 0.263 29.181 29.460 -0.904 0.000 1.410 153 W HN 0.254 nan 8.180 nan 0.000 0.729 154 K N 0.126 119.737 120.400 -1.315 0.000 1.979 154 K HA 0.042 4.362 4.320 -0.000 0.000 0.213 154 K C 1.732 177.752 176.600 -0.967 0.000 1.036 154 K CA 1.389 57.113 56.287 -0.937 0.000 0.954 154 K CB -1.079 31.025 32.500 -0.660 0.000 0.743 154 K HN 0.595 nan 8.250 nan 0.000 0.443 155 G N 0.333 108.214 108.800 -1.531 0.000 3.340 155 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.240 155 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.240 155 G C 0.848 175.128 174.900 -1.034 0.000 1.327 155 G CA -0.006 44.185 45.100 -1.514 0.000 1.170 155 G HN 0.216 nan 8.290 nan 0.000 0.520 156 S N 1.137 116.419 115.700 -0.696 0.000 2.371 156 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 156 S C 0.206 174.456 174.600 -0.583 0.000 1.029 156 S CA 0.981 58.918 58.200 -0.439 0.000 0.978 156 S CB -0.193 62.851 63.200 -0.260 0.000 0.833 156 S HN 0.328 nan 8.310 nan 0.000 0.466 157 P HA 0.027 nan 4.420 nan 0.000 0.218 157 P C 1.171 178.334 177.300 -0.227 0.000 1.149 157 P CA 1.155 64.103 63.100 -0.254 0.000 0.817 157 P CB -0.093 31.529 31.700 -0.131 0.000 0.785 158 A N 0.698 123.314 122.820 -0.340 0.000 2.037 158 A HA -0.182 4.138 4.320 -0.000 0.000 0.200 158 A C 2.010 179.417 177.584 -0.295 0.000 1.230 158 A CA 1.549 53.381 52.037 -0.342 0.000 0.695 158 A CB -1.718 16.945 19.000 -0.561 0.000 0.883 158 A HN 0.064 nan 8.150 nan 0.000 0.502 159 I N -0.691 119.657 120.570 -0.370 0.000 2.848 159 I HA -0.276 3.894 4.170 -0.000 0.000 0.271 159 I C 2.083 178.124 176.117 -0.126 0.000 1.248 159 I CA 1.494 62.662 61.300 -0.219 0.000 1.442 159 I CB -0.589 37.302 38.000 -0.182 0.000 1.110 159 I HN 0.553 nan 8.210 nan 0.000 0.479 160 F N 1.769 121.536 119.950 -0.304 0.000 2.138 160 F HA -0.131 4.396 4.527 -0.000 0.000 0.283 160 F C 2.637 178.326 175.800 -0.185 0.000 1.100 160 F CA 1.564 59.399 58.000 -0.276 0.000 1.189 160 F CB -0.846 37.872 39.000 -0.470 0.000 1.060 160 F HN -0.051 nan 8.300 nan 0.000 0.492 161 Q N 0.415 119.840 119.800 -0.624 0.000 2.133 161 Q HA -0.274 4.066 4.340 -0.000 0.000 0.208 161 Q C 2.369 178.119 176.000 -0.417 0.000 0.991 161 Q CA 2.770 58.206 55.803 -0.611 0.000 0.867 161 Q CB -0.515 28.050 28.738 -0.288 0.000 0.911 161 Q HN 0.579 nan 8.270 nan 0.000 0.417 162 S N -0.415 115.121 115.700 -0.273 0.000 2.398 162 S HA -0.235 4.235 4.470 -0.000 0.000 0.220 162 S C 2.048 176.515 174.600 -0.223 0.000 1.038 162 S CA 2.046 60.135 58.200 -0.185 0.000 1.080 162 S CB -0.825 62.301 63.200 -0.123 0.000 1.039 162 S HN 0.580 nan 8.310 nan 0.000 0.419 163 S N 1.569 117.143 115.700 -0.210 0.000 2.381 163 S HA -0.231 4.239 4.470 -0.000 0.000 0.230 163 S C 1.893 176.325 174.600 -0.280 0.000 1.052 163 S CA 2.047 60.140 58.200 -0.179 0.000 1.068 163 S CB -0.742 62.409 63.200 -0.082 0.000 0.918 163 S HN 0.667 nan 8.310 nan 0.000 0.448 164 M N 2.018 121.337 119.600 -0.470 0.000 2.065 164 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 164 M C 1.974 178.056 176.300 -0.363 0.000 1.069 164 M CA 1.972 56.962 55.300 -0.518 0.000 1.110 164 M CB -1.574 30.465 32.600 -0.935 0.000 1.328 164 M HN 0.224 nan 8.290 nan 0.000 0.405 165 T N 0.875 115.239 114.554 -0.315 0.000 2.746 165 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 165 T C 1.707 176.279 174.700 -0.213 0.000 1.039 165 T CA 1.657 63.626 62.100 -0.220 0.000 1.142 165 T CB -0.301 68.467 68.868 -0.166 0.000 0.866 165 T HN 0.461 nan 8.240 nan 0.000 0.444 166 K N 0.185 120.447 120.400 -0.229 0.000 2.515 166 K HA 0.061 4.381 4.320 -0.000 0.000 0.196 166 K C 1.522 177.872 176.600 -0.418 0.000 1.038 166 K CA 0.508 56.648 56.287 -0.244 0.000 0.967 166 K CB -0.087 32.296 32.500 -0.195 0.000 0.780 166 K HN 0.275 nan 8.250 nan 0.000 0.483 167 I N 0.611 120.888 120.570 -0.487 0.000 2.556 167 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 167 I C 1.900 177.683 176.117 -0.557 0.000 1.105 167 I CA 0.765 61.587 61.300 -0.797 0.000 1.436 167 I CB -0.213 37.409 38.000 -0.630 0.000 1.139 167 I HN 0.018 nan 8.210 nan 0.000 0.438 168 L N 0.030 121.060 121.223 -0.322 0.000 2.191 168 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 168 L C 2.254 179.139 176.870 0.024 0.000 1.103 168 L CA 1.098 55.871 54.840 -0.112 0.000 0.769 168 L CB -0.692 41.321 42.059 -0.077 0.000 0.908 168 L HN 0.362 nan 8.230 nan 0.000 0.438 169 E N 0.486 120.640 120.200 -0.076 0.000 2.160 169 E HA -0.290 4.060 4.350 -0.000 0.000 0.237 169 E C -0.522 176.097 176.600 0.032 0.000 1.069 169 E CA 2.772 59.148 56.400 -0.040 0.000 0.950 169 E CB -0.716 28.926 29.700 -0.096 0.000 0.832 169 E HN 0.301 nan 8.360 nan 0.000 0.496 170 P HA -0.155 nan 4.420 nan 0.000 0.214 170 P C 1.119 178.459 177.300 0.066 0.000 1.163 170 P CA 1.260 64.406 63.100 0.075 0.000 0.883 170 P CB -0.177 31.584 31.700 0.102 0.000 0.788 171 F N 1.209 121.228 119.950 0.115 0.000 2.046 171 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 171 F C 2.105 177.935 175.800 0.050 0.000 1.123 171 F CA 1.794 59.846 58.000 0.085 0.000 1.199 171 F CB -0.687 38.506 39.000 0.323 0.000 0.972 171 F HN -0.270 nan 8.300 nan 0.000 0.474 172 K N -0.019 120.490 120.400 0.182 0.000 2.144 172 K HA -0.249 4.071 4.320 -0.000 0.000 0.209 172 K C 2.155 178.721 176.600 -0.056 0.000 1.047 172 K CA 1.582 57.906 56.287 0.062 0.000 0.927 172 K CB -0.144 32.396 32.500 0.067 0.000 0.716 172 K HN 0.210 nan 8.250 nan 0.000 0.454 173 K N 0.903 121.270 120.400 -0.056 0.000 1.965 173 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 173 K C 2.051 178.576 176.600 -0.125 0.000 1.046 173 K CA 1.583 57.827 56.287 -0.072 0.000 0.944 173 K CB -0.436 32.038 32.500 -0.044 0.000 0.726 173 K HN 0.296 nan 8.250 nan 0.000 0.441 174 Q N 0.632 120.324 119.800 -0.180 0.000 2.439 174 Q HA -0.068 4.272 4.340 -0.000 0.000 0.211 174 Q C 0.135 175.974 176.000 -0.269 0.000 0.978 174 Q CA 0.699 56.377 55.803 -0.207 0.000 0.897 174 Q CB -0.119 28.481 28.738 -0.229 0.000 0.956 174 Q HN 0.342 nan 8.270 nan 0.000 0.483 175 N N 0.682 119.173 118.700 -0.347 0.000 2.806 175 N HA 0.134 4.874 4.740 -0.000 0.000 0.315 175 N C -2.368 173.054 175.510 -0.147 0.000 1.738 175 N CA -1.088 51.771 53.050 -0.319 0.000 0.993 175 N CB 0.915 39.019 38.487 -0.639 0.000 1.324 175 N HN 0.017 nan 8.380 nan 0.000 0.493 176 P HA -0.129 nan 4.420 nan 0.000 0.225 176 P C -0.068 177.218 177.300 -0.024 0.000 1.141 176 P CA 1.361 64.431 63.100 -0.051 0.000 0.774 176 P CB 0.166 31.839 31.700 -0.044 0.000 0.760 177 D N -1.015 119.374 120.400 -0.018 0.000 2.696 177 D HA 0.262 4.901 4.640 -0.000 0.000 0.269 177 D C 0.084 176.410 176.300 0.043 0.000 1.319 177 D CA -0.070 53.936 54.000 0.011 0.000 0.826 177 D CB 0.426 41.233 40.800 0.012 0.000 1.086 177 D HN 0.236 nan 8.370 nan 0.000 0.481 178 I N 0.498 121.100 120.570 0.054 0.000 2.534 178 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 178 I C -0.998 175.180 176.117 0.101 0.000 1.094 178 I CA -0.727 60.637 61.300 0.106 0.000 1.055 178 I CB 1.589 39.688 38.000 0.166 0.000 1.225 178 I HN -0.370 nan 8.210 nan 0.000 0.435 179 V N 8.271 128.237 119.914 0.087 0.000 2.572 179 V HA 0.221 4.341 4.120 -0.000 0.000 0.291 179 V C 0.374 176.510 176.094 0.071 0.000 1.039 179 V CA 0.301 62.637 62.300 0.061 0.000 1.055 179 V CB 0.978 32.822 31.823 0.036 0.000 0.969 179 V HN 0.524 nan 8.190 nan 0.000 0.482 180 I N 5.273 125.873 120.570 0.050 0.000 2.719 180 I HA 0.222 4.392 4.170 -0.000 0.000 0.275 180 I C 0.083 176.209 176.117 0.016 0.000 1.228 180 I CA -0.167 61.161 61.300 0.046 0.000 1.035 180 I CB 1.110 39.145 38.000 0.058 0.000 1.286 180 I HN 0.787 nan 8.210 nan 0.000 0.531 181 C N 4.109 123.410 119.300 0.001 0.000 2.345 181 C HA 0.832 5.292 4.460 -0.000 0.000 0.369 181 C C -0.006 174.993 174.990 0.015 0.000 1.273 181 C CA 0.087 59.089 59.018 -0.028 0.000 2.310 181 C CB 1.544 29.229 27.740 -0.092 0.000 2.219 181 C HN 0.885 nan 8.230 nan 0.000 0.587 182 Q N 0.855 120.668 119.800 0.023 0.000 2.501 182 Q HA 0.522 4.862 4.340 -0.000 0.000 0.288 182 Q C -2.092 174.009 176.000 0.168 0.000 1.051 182 Q CA -0.626 55.242 55.803 0.108 0.000 0.788 182 Q CB 1.819 30.595 28.738 0.065 0.000 1.469 182 Q HN 0.988 nan 8.270 nan 0.000 0.416 183 Y N 4.561 124.954 120.300 0.156 0.000 2.535 183 Y HA 0.375 4.925 4.550 -0.000 0.000 0.341 183 Y C 0.194 176.247 175.900 0.255 0.000 1.041 183 Y CA -0.500 57.730 58.100 0.216 0.000 1.307 183 Y CB 0.351 39.041 38.460 0.383 0.000 1.095 183 Y HN 0.975 nan 8.280 nan 0.000 0.534 184 M N 0.904 120.345 119.600 -0.266 0.000 7.319 184 M HA -0.406 4.074 4.480 -0.000 0.000 0.279 184 M C 0.404 176.731 176.300 0.046 0.000 0.480 184 M CA 2.640 57.811 55.300 -0.216 0.000 1.311 184 M CB -1.295 30.929 32.600 -0.628 0.000 0.421 184 M HN 0.610 nan 8.290 nan 0.000 0.396 185 D N -0.090 120.275 120.400 -0.057 0.000 2.338 185 D HA 0.081 4.721 4.640 -0.000 0.000 0.208 185 D C 0.164 176.534 176.300 0.116 0.000 0.997 185 D CA 0.400 54.426 54.000 0.044 0.000 0.880 185 D CB 0.094 40.861 40.800 -0.056 0.000 0.980 185 D HN 0.439 nan 8.370 nan 0.000 0.509 186 D N 1.485 122.002 120.400 0.196 0.000 2.336 186 D HA 0.199 4.838 4.640 -0.000 0.000 0.249 186 D C -0.235 176.218 176.300 0.255 0.000 1.213 186 D CA -0.152 53.985 54.000 0.228 0.000 0.870 186 D CB 1.441 42.532 40.800 0.485 0.000 1.076 186 D HN -0.051 nan 8.370 nan 0.000 0.483 187 L N 3.755 125.006 121.223 0.046 0.000 2.265 187 L HA 0.135 4.475 4.340 -0.000 0.000 0.288 187 L C -0.618 176.211 176.870 -0.070 0.000 1.058 187 L CA -0.347 54.533 54.840 0.067 0.000 0.809 187 L CB 0.429 42.492 42.059 0.006 0.000 1.179 187 L HN 0.267 nan 8.230 nan 0.000 0.429 188 Y N 4.150 124.382 120.300 -0.113 0.000 2.931 188 Y HA 0.339 4.889 4.550 -0.000 0.000 0.330 188 Y C -0.004 175.853 175.900 -0.071 0.000 1.115 188 Y CA -1.002 57.009 58.100 -0.148 0.000 1.283 188 Y CB 0.417 38.721 38.460 -0.260 0.000 1.215 188 Y HN 0.174 nan 8.280 nan 0.000 0.534 189 V N 2.368 122.307 119.914 0.043 0.000 2.572 189 V HA 0.564 4.684 4.120 -0.000 0.000 0.291 189 V C 0.790 176.977 176.094 0.155 0.000 1.039 189 V CA -0.125 62.213 62.300 0.064 0.000 1.055 189 V CB 0.564 32.374 31.823 -0.022 0.000 0.969 189 V HN 0.800 nan 8.190 nan 0.000 0.482 190 G N 2.857 111.768 108.800 0.184 0.000 2.574 190 G HA2 0.808 4.767 3.960 -0.000 0.000 0.299 190 G HA3 0.808 4.767 3.960 -0.000 0.000 0.299 190 G C -0.694 174.362 174.900 0.260 0.000 1.298 190 G CA 0.152 45.390 45.100 0.230 0.000 0.952 190 G HN 1.152 nan 8.290 nan 0.000 0.477 191 S N -0.736 115.078 115.700 0.190 0.000 2.671 191 S HA 0.563 5.033 4.470 -0.000 0.000 0.270 191 S C -2.083 172.509 174.600 -0.013 0.000 1.166 191 S CA -0.679 57.599 58.200 0.131 0.000 0.868 191 S CB 1.773 65.156 63.200 0.305 0.000 1.190 191 S HN 0.325 nan 8.310 nan 0.000 0.494 192 D N 0.869 121.281 120.400 0.020 0.000 2.613 192 D HA 0.627 5.267 4.640 -0.000 0.000 0.312 192 D C -1.154 175.155 176.300 0.015 0.000 1.202 192 D CA 0.039 54.035 54.000 -0.006 0.000 0.825 192 D CB 0.536 41.344 40.800 0.013 0.000 1.113 192 D HN 0.545 nan 8.370 nan 0.000 0.502 193 L N -0.091 121.134 121.223 0.004 0.000 2.434 193 L HA 0.443 4.783 4.340 -0.000 0.000 0.260 193 L C 0.343 177.232 176.870 0.031 0.000 0.983 193 L CA -1.218 53.653 54.840 0.053 0.000 0.820 193 L CB 2.644 44.783 42.059 0.134 0.000 1.361 193 L HN 0.025 nan 8.230 nan 0.000 0.410 194 E N 1.006 121.236 120.200 0.050 0.000 2.467 194 E HA -0.093 4.257 4.350 -0.000 0.000 0.264 194 E C 1.034 177.691 176.600 0.094 0.000 1.020 194 E CA -0.158 56.273 56.400 0.052 0.000 0.945 194 E CB 0.900 30.633 29.700 0.056 0.000 0.942 194 E HN 0.558 nan 8.360 nan 0.000 0.449 195 I N 4.867 125.492 120.570 0.093 0.000 2.285 195 I HA -0.284 3.886 4.170 -0.000 0.000 0.253 195 I C 1.493 177.722 176.117 0.188 0.000 1.104 195 I CA 2.544 63.939 61.300 0.158 0.000 1.372 195 I CB -0.737 37.361 38.000 0.163 0.000 1.057 195 I HN 0.742 nan 8.210 nan 0.000 0.431 196 G N -0.635 108.251 108.800 0.143 0.000 2.637 196 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.215 196 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.215 196 G C 1.376 176.350 174.900 0.124 0.000 1.289 196 G CA 0.847 46.023 45.100 0.127 0.000 0.816 196 G HN 0.558 nan 8.290 nan 0.000 0.580 197 Q N -0.603 119.266 119.800 0.115 0.000 2.197 197 Q HA -0.205 4.135 4.340 -0.000 0.000 0.207 197 Q C 2.241 178.325 176.000 0.141 0.000 0.984 197 Q CA 1.537 57.406 55.803 0.109 0.000 0.869 197 Q CB -0.300 28.497 28.738 0.098 0.000 0.906 197 Q HN 0.707 nan 8.270 nan 0.000 0.426 198 H N 1.679 120.783 119.070 0.056 0.000 2.267 198 H HA -0.095 4.461 4.556 -0.000 0.000 0.297 198 H C 1.772 177.124 175.328 0.039 0.000 1.080 198 H CA 2.046 58.126 56.048 0.054 0.000 1.278 198 H CB 0.074 29.866 29.762 0.051 0.000 1.365 198 H HN 0.182 nan 8.280 nan 0.000 0.489 199 R N -0.413 120.091 120.500 0.006 0.000 2.339 199 R HA -0.007 4.333 4.340 -0.000 0.000 0.199 199 R C 1.351 177.632 176.300 -0.032 0.000 1.018 199 R CA 1.129 57.176 56.100 -0.088 0.000 1.036 199 R CB -0.498 29.749 30.300 -0.089 0.000 0.899 199 R HN 0.263 nan 8.270 nan 0.000 0.473 200 T N 1.225 115.789 114.554 0.018 0.000 2.735 200 T HA -0.002 4.348 4.350 -0.000 0.000 0.256 200 T C 1.640 176.370 174.700 0.050 0.000 1.042 200 T CA 0.743 62.870 62.100 0.045 0.000 1.147 200 T CB 0.064 68.973 68.868 0.068 0.000 0.865 200 T HN 0.115 nan 8.240 nan 0.000 0.421 201 K N 1.264 121.700 120.400 0.059 0.000 2.002 201 K HA 0.087 4.407 4.320 -0.000 0.000 0.209 201 K C 2.179 178.788 176.600 0.016 0.000 1.048 201 K CA 1.118 57.487 56.287 0.137 0.000 0.930 201 K CB -0.765 31.825 32.500 0.151 0.000 0.714 201 K HN 0.410 nan 8.250 nan 0.000 0.438 202 I N 1.171 121.653 120.570 -0.147 0.000 2.700 202 I HA -0.200 3.970 4.170 -0.000 0.000 0.261 202 I C 2.260 178.284 176.117 -0.155 0.000 1.219 202 I CA 0.734 61.903 61.300 -0.218 0.000 1.463 202 I CB -0.194 37.631 38.000 -0.291 0.000 1.092 202 I HN 0.082 nan 8.210 nan 0.000 0.452 203 E N 1.674 121.824 120.200 -0.082 0.000 2.005 203 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 203 E C 1.973 178.555 176.600 -0.030 0.000 0.987 203 E CA 1.387 57.763 56.400 -0.040 0.000 0.814 203 E CB -0.188 29.513 29.700 0.002 0.000 0.772 203 E HN 0.438 nan 8.360 nan 0.000 0.453 204 E N 0.309 120.527 120.200 0.029 0.000 2.147 204 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 204 E C 2.082 178.659 176.600 -0.039 0.000 1.005 204 E CA 1.163 57.619 56.400 0.094 0.000 0.810 204 E CB -0.240 29.638 29.700 0.297 0.000 0.736 204 E HN 0.092 nan 8.360 nan 0.000 0.460 205 L N 1.701 122.695 121.223 -0.382 0.000 2.017 205 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 205 L C 2.405 179.117 176.870 -0.264 0.000 1.073 205 L CA 1.919 56.326 54.840 -0.722 0.000 0.745 205 L CB -0.383 41.098 42.059 -0.964 0.000 0.894 205 L HN 0.028 nan 8.230 nan 0.000 0.432 206 R N -1.456 118.942 120.500 -0.170 0.000 2.105 206 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 206 R C 1.996 178.291 176.300 -0.009 0.000 1.135 206 R CA 1.390 57.442 56.100 -0.080 0.000 0.967 206 R CB -0.947 29.316 30.300 -0.060 0.000 0.861 206 R HN 0.384 nan 8.270 nan 0.000 0.442 207 Q N 0.472 120.282 119.800 0.016 0.000 2.119 207 Q HA -0.186 4.154 4.340 -0.000 0.000 0.201 207 Q C 2.058 178.146 176.000 0.147 0.000 0.972 207 Q CA 1.877 57.721 55.803 0.067 0.000 0.847 207 Q CB -0.441 28.337 28.738 0.067 0.000 0.903 207 Q HN 0.715 nan 8.270 nan 0.000 0.433 208 H N 0.091 119.181 119.070 0.035 0.000 2.270 208 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 208 H C 2.065 177.514 175.328 0.202 0.000 1.077 208 H CA 1.149 57.278 56.048 0.135 0.000 1.294 208 H CB 0.176 30.001 29.762 0.105 0.000 1.371 208 H HN 0.102 nan 8.280 nan 0.000 0.491 209 L N 0.501 121.732 121.223 0.014 0.000 2.079 209 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 209 L C 2.638 179.580 176.870 0.121 0.000 1.081 209 L CA 0.640 55.465 54.840 -0.024 0.000 0.752 209 L CB -0.486 41.533 42.059 -0.066 0.000 0.896 209 L HN 0.337 nan 8.230 nan 0.000 0.433 210 L N -0.056 121.228 121.223 0.102 0.000 2.017 210 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 210 L C 2.655 179.581 176.870 0.092 0.000 1.073 210 L CA 1.759 56.651 54.840 0.087 0.000 0.745 210 L CB -0.670 41.426 42.059 0.062 0.000 0.894 210 L HN 0.165 nan 8.230 nan 0.000 0.432 211 R N -1.940 118.632 120.500 0.120 0.000 2.152 211 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 211 R C 0.894 177.155 176.300 -0.065 0.000 1.117 211 R CA 1.491 57.612 56.100 0.034 0.000 0.981 211 R CB -0.419 29.918 30.300 0.063 0.000 0.870 211 R HN 0.396 nan 8.270 nan 0.000 0.451 212 W N 1.110 122.453 121.300 0.071 0.000 3.121 212 W HA 0.260 4.920 4.660 -0.000 0.000 0.441 212 W C 0.392 176.930 176.519 0.031 0.000 0.878 212 W CA -0.026 57.345 57.345 0.043 0.000 2.101 212 W CB 0.198 29.650 29.460 -0.014 0.000 1.067 212 W HN 0.140 nan 8.180 nan 0.000 0.834 213 G N 2.201 111.070 108.800 0.115 0.000 2.247 213 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.265 213 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.265 213 G C -0.416 174.558 174.900 0.124 0.000 0.861 213 G CA 0.279 45.437 45.100 0.096 0.000 1.289 213 G HN 0.360 nan 8.290 nan 0.000 0.403 214 L N -0.268 121.022 121.223 0.111 0.000 2.301 214 L HA 0.656 4.996 4.340 -0.000 0.000 0.249 214 L C 0.732 177.649 176.870 0.078 0.000 1.069 214 L CA -1.263 53.643 54.840 0.111 0.000 0.865 214 L CB 1.760 43.895 42.059 0.126 0.000 1.467 214 L HN 0.233 nan 8.230 nan 0.000 0.419 215 T N -0.547 114.051 114.554 0.074 0.000 2.862 215 T HA 0.591 4.941 4.350 -0.000 0.000 0.276 215 T C -0.696 174.027 174.700 0.038 0.000 0.974 215 T CA -0.281 61.851 62.100 0.052 0.000 0.966 215 T CB 1.394 70.292 68.868 0.051 0.000 1.072 215 T HN 0.601 nan 8.240 nan 0.000 0.538 216 T N 2.248 116.818 114.554 0.027 0.000 3.767 216 T HA 0.239 4.588 4.350 -0.000 0.000 0.360 216 T C -1.825 172.885 174.700 0.018 0.000 1.181 216 T CA -0.782 61.327 62.100 0.015 0.000 1.110 216 T CB 1.678 70.550 68.868 0.007 0.000 1.201 216 T HN 0.391 nan 8.240 nan 0.000 0.474 217 P HA -0.029 nan 4.420 nan 0.000 0.218 217 P C 0.289 177.604 177.300 0.024 0.000 1.150 217 P CA 1.873 64.986 63.100 0.022 0.000 0.841 217 P CB -0.023 31.691 31.700 0.024 0.000 0.784 218 D N -1.859 118.554 120.400 0.023 0.000 2.766 218 D HA 0.198 4.838 4.640 -0.000 0.000 0.244 218 D C -0.259 176.056 176.300 0.025 0.000 1.198 218 D CA -0.660 53.356 54.000 0.026 0.000 0.739 218 D CB 0.061 40.880 40.800 0.031 0.000 1.379 218 D HN -0.174 nan 8.370 nan 0.000 0.437 219 K N 0.306 120.721 120.400 0.026 0.000 2.699 219 K HA 0.061 4.381 4.320 -0.000 0.000 0.205 219 K C 1.181 177.804 176.600 0.038 0.000 1.008 219 K CA 0.404 56.706 56.287 0.026 0.000 1.100 219 K CB -0.589 31.926 32.500 0.026 0.000 0.878 219 K HN 0.529 nan 8.250 nan 0.000 0.496 220 K N -0.983 119.443 120.400 0.045 0.000 2.386 220 K HA 0.065 4.385 4.320 -0.000 0.000 0.249 220 K C 0.502 177.160 176.600 0.098 0.000 1.055 220 K CA -0.601 55.730 56.287 0.073 0.000 0.930 220 K CB 0.290 32.833 32.500 0.072 0.000 1.230 220 K HN -0.094 nan 8.250 nan 0.000 0.507 221 H N -0.828 118.256 119.070 0.024 0.000 1.964 221 H HA 0.029 4.585 4.556 -0.000 0.000 0.305 221 H C 0.494 175.840 175.328 0.030 0.000 1.823 221 H CA 1.160 57.226 56.048 0.029 0.000 1.402 221 H CB 0.719 30.501 29.762 0.033 0.000 1.726 221 H HN 0.722 nan 8.280 nan 0.000 0.586 222 Q N -1.186 118.578 119.800 -0.059 0.000 2.093 222 Q HA 0.136 4.476 4.340 -0.000 0.000 0.159 222 Q C -0.195 175.839 176.000 0.057 0.000 0.589 222 Q CA -0.417 55.376 55.803 -0.017 0.000 0.849 222 Q CB 0.192 28.874 28.738 -0.093 0.000 1.103 222 Q HN 0.518 nan 8.270 nan 0.000 0.346 223 K N 1.572 122.013 120.400 0.067 0.000 2.229 223 K HA 0.107 4.427 4.320 -0.000 0.000 0.250 223 K C -0.149 176.507 176.600 0.093 0.000 1.016 223 K CA 0.325 56.702 56.287 0.149 0.000 0.866 223 K CB 0.454 33.065 32.500 0.184 0.000 1.028 223 K HN 0.151 nan 8.250 nan 0.000 0.514 224 E N 0.443 120.619 120.200 -0.039 0.000 3.152 224 E HA 0.161 4.511 4.350 -0.000 0.000 0.320 224 E C -2.676 173.542 176.600 -0.636 0.000 1.108 224 E CA -1.150 55.140 56.400 -0.184 0.000 1.032 224 E CB 0.886 30.554 29.700 -0.054 0.000 1.351 224 E HN 0.564 nan 8.360 nan 0.000 0.391 225 P HA 0.356 nan 4.420 nan 0.000 0.292 225 P C -2.332 174.841 177.300 -0.211 0.000 1.283 225 P CA -1.305 61.321 63.100 -0.790 0.000 0.835 225 P CB 1.006 32.488 31.700 -0.364 0.000 1.017 226 P HA 0.090 nan 4.420 nan 0.000 0.269 226 P C -0.840 176.312 177.300 -0.246 0.000 1.211 226 P CA 0.496 63.566 63.100 -0.050 0.000 0.781 226 P CB 0.336 32.109 31.700 0.122 0.000 0.877 227 F N -0.605 119.451 119.950 0.177 0.000 2.556 227 F HA 0.423 4.950 4.527 -0.000 0.000 0.327 227 F C 0.515 176.469 175.800 0.257 0.000 1.059 227 F CA -0.991 57.145 58.000 0.226 0.000 0.953 227 F CB 1.443 40.620 39.000 0.296 0.000 1.227 227 F HN -0.015 nan 8.300 nan 0.000 0.478 228 L N 2.048 123.567 121.223 0.494 0.000 2.335 228 L HA 0.268 4.608 4.340 -0.000 0.000 0.268 228 L C -1.598 175.535 176.870 0.437 0.000 1.037 228 L CA -0.272 54.781 54.840 0.354 0.000 0.895 228 L CB 0.543 42.737 42.059 0.224 0.000 1.266 228 L HN 0.586 nan 8.230 nan 0.000 0.439 229 W N 6.134 127.588 121.300 0.256 0.000 2.619 229 W HA 0.452 5.112 4.660 -0.000 0.000 0.327 229 W C 0.123 176.729 176.519 0.146 0.000 1.027 229 W CA -0.900 56.565 57.345 0.200 0.000 1.233 229 W CB 1.328 30.905 29.460 0.195 0.000 1.370 229 W HN 0.286 nan 8.180 nan 0.000 0.453 230 M N 5.816 125.044 119.600 -0.621 0.000 2.107 230 M HA -0.206 4.274 4.480 -0.000 0.000 0.190 230 M C 1.168 177.237 176.300 -0.385 0.000 0.436 230 M CA 1.815 56.717 55.300 -0.663 0.000 0.393 230 M CB -2.312 29.541 32.600 -1.244 0.000 1.003 230 M HN 1.276 nan 8.290 nan 0.000 0.939 231 G N -0.997 107.601 108.800 -0.337 0.000 2.153 231 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 231 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 231 G C -0.261 174.507 174.900 -0.220 0.000 0.994 231 G CA 0.609 45.412 45.100 -0.496 0.000 0.698 231 G HN 0.650 nan 8.290 nan 0.000 0.521 232 Y N -0.561 119.941 120.300 0.336 0.000 2.509 232 Y HA 0.648 5.198 4.550 -0.000 0.000 0.341 232 Y C 0.448 176.586 175.900 0.398 0.000 1.038 232 Y CA -0.946 57.441 58.100 0.477 0.000 1.089 232 Y CB 1.746 40.518 38.460 0.519 0.000 1.241 232 Y HN 0.100 nan 8.280 nan 0.000 0.468 233 E N 3.156 123.693 120.200 0.562 0.000 2.145 233 E HA 0.432 4.782 4.350 -0.000 0.000 0.262 233 E C -1.832 174.907 176.600 0.232 0.000 0.883 233 E CA -0.468 56.123 56.400 0.319 0.000 0.748 233 E CB 0.700 30.532 29.700 0.220 0.000 1.140 233 E HN 0.556 nan 8.360 nan 0.000 0.417 234 L N 5.201 126.567 121.223 0.239 0.000 2.301 234 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 234 L C -0.089 176.862 176.870 0.135 0.000 1.022 234 L CA -0.613 54.385 54.840 0.263 0.000 0.854 234 L CB 0.546 42.878 42.059 0.456 0.000 1.226 234 L HN 0.608 nan 8.230 nan 0.000 0.429 235 H N 2.223 121.435 119.070 0.237 0.000 3.039 235 H HA 0.424 4.980 4.556 -0.000 0.000 0.234 235 H C -1.717 173.687 175.328 0.126 0.000 1.570 235 H CA -1.317 54.811 56.048 0.133 0.000 1.674 235 H CB 0.128 29.917 29.762 0.045 0.000 1.538 235 H HN 0.263 nan 8.280 nan 0.000 0.963 236 P HA -0.033 nan 4.420 nan 0.000 0.197 236 P C 0.223 177.435 177.300 -0.147 0.000 1.188 236 P CA 0.619 63.793 63.100 0.124 0.000 0.873 236 P CB -0.021 31.744 31.700 0.109 0.000 0.712 237 D N 0.018 120.347 120.400 -0.118 0.000 2.404 237 D HA -0.086 4.554 4.640 -0.000 0.000 0.256 237 D C -0.342 175.760 176.300 -0.331 0.000 1.189 237 D CA 0.595 54.470 54.000 -0.208 0.000 0.965 237 D CB -0.769 39.980 40.800 -0.084 0.000 0.901 237 D HN 0.173 nan 8.370 nan 0.000 0.517 238 K N -0.298 119.838 120.400 -0.439 0.000 2.597 238 K HA 0.433 4.753 4.320 -0.000 0.000 0.282 238 K C -1.443 175.019 176.600 -0.231 0.000 0.975 238 K CA -1.172 54.834 56.287 -0.469 0.000 0.867 238 K CB 1.066 33.130 32.500 -0.727 0.000 1.465 238 K HN 0.157 nan 8.250 nan 0.000 0.417 239 W N 0.185 121.314 121.300 -0.284 0.000 3.573 239 W HA 0.660 5.320 4.660 -0.000 0.000 0.306 239 W C -1.687 174.951 176.519 0.199 0.000 1.227 239 W CA -0.659 56.702 57.345 0.026 0.000 1.212 239 W CB 1.235 30.834 29.460 0.232 0.000 1.331 239 W HN 0.876 nan 8.180 nan 0.000 0.524 240 T N 0.335 115.069 114.554 0.301 0.000 2.663 240 T HA 0.582 4.932 4.350 -0.000 0.000 0.297 240 T C -2.015 172.964 174.700 0.465 0.000 1.505 240 T CA 0.248 62.491 62.100 0.238 0.000 1.024 240 T CB 1.180 70.206 68.868 0.263 0.000 1.865 240 T HN 1.260 nan 8.240 nan 0.000 0.453 241 V N 0.414 120.568 119.914 0.401 0.000 3.225 241 V HA 0.699 4.819 4.120 -0.000 0.000 0.293 241 V C -0.920 175.330 176.094 0.260 0.000 1.405 241 V CA -0.029 62.488 62.300 0.361 0.000 1.038 241 V CB 2.172 34.303 31.823 0.513 0.000 1.123 241 V HN 1.018 nan 8.190 nan 0.000 0.447 242 Q N 1.380 121.268 119.800 0.146 0.000 2.123 242 Q HA 0.342 4.682 4.340 -0.000 0.000 0.244 242 Q C -1.825 174.182 176.000 0.010 0.000 0.769 242 Q CA -0.320 55.538 55.803 0.090 0.000 0.938 242 Q CB 0.905 29.698 28.738 0.092 0.000 1.170 242 Q HN 0.699 nan 8.270 nan 0.000 0.469 243 P HA -0.038 nan 4.420 nan 0.000 0.234 243 P C -0.918 176.318 177.300 -0.105 0.000 1.457 243 P CA 0.924 63.969 63.100 -0.091 0.000 0.891 243 P CB -0.580 31.021 31.700 -0.163 0.000 1.734 244 I N 0.717 121.245 120.570 -0.071 0.000 2.281 244 I HA 0.066 4.236 4.170 -0.000 0.000 0.293 244 I C 0.123 176.206 176.117 -0.057 0.000 1.085 244 I CA -0.496 60.757 61.300 -0.079 0.000 1.257 244 I CB 0.909 38.860 38.000 -0.081 0.000 1.430 244 I HN -0.177 nan 8.210 nan 0.000 0.489 245 V N 7.178 127.056 119.914 -0.061 0.000 2.250 245 V HA 0.298 4.418 4.120 -0.000 0.000 0.268 245 V C -0.290 175.785 176.094 -0.032 0.000 1.043 245 V CA -0.588 61.690 62.300 -0.037 0.000 0.814 245 V CB 0.926 32.726 31.823 -0.038 0.000 1.072 245 V HN 0.394 nan 8.190 nan 0.000 0.451 246 L N 6.455 127.665 121.223 -0.022 0.000 2.280 246 L HA 0.688 5.028 4.340 -0.000 0.000 0.287 246 L C -2.144 174.749 176.870 0.037 0.000 1.023 246 L CA -1.860 52.969 54.840 -0.018 0.000 0.819 246 L CB 1.182 43.215 42.059 -0.043 0.000 1.212 246 L HN 0.356 nan 8.230 nan 0.000 0.420 247 P HA -0.020 nan 4.420 nan 0.000 0.259 247 P C -0.425 177.089 177.300 0.356 0.000 1.163 247 P CA 0.579 63.825 63.100 0.244 0.000 0.760 247 P CB 0.377 32.297 31.700 0.367 0.000 0.762 248 E N 0.875 121.239 120.200 0.273 0.000 2.660 248 E HA 0.058 4.408 4.350 -0.000 0.000 0.216 248 E C 0.090 176.726 176.600 0.059 0.000 0.986 248 E CA -0.385 56.138 56.400 0.204 0.000 1.037 248 E CB 0.367 30.125 29.700 0.096 0.000 1.041 248 E HN 0.201 nan 8.360 nan 0.000 0.480 249 K N 1.962 122.390 120.400 0.046 0.000 2.382 249 K HA -0.053 4.267 4.320 -0.000 0.000 0.275 249 K C 0.828 176.978 176.600 -0.750 0.000 1.009 249 K CA 0.113 56.245 56.287 -0.258 0.000 0.970 249 K CB 0.701 33.115 32.500 -0.143 0.000 0.934 249 K HN -0.105 nan 8.250 nan 0.000 0.479 250 D N 1.541 121.637 120.400 -0.506 0.000 2.120 250 D HA -0.165 4.475 4.640 -0.000 0.000 0.191 250 D C 0.056 175.947 176.300 -0.682 0.000 0.994 250 D CA 1.263 54.962 54.000 -0.501 0.000 0.838 250 D CB 0.058 40.694 40.800 -0.273 0.000 0.976 250 D HN 0.440 nan 8.370 nan 0.000 0.447 251 S N -1.735 113.670 115.700 -0.493 0.000 2.669 251 S HA 0.386 4.856 4.470 -0.000 0.000 0.270 251 S C -1.177 173.177 174.600 -0.410 0.000 1.225 251 S CA -0.521 57.471 58.200 -0.347 0.000 0.991 251 S CB 0.544 63.656 63.200 -0.146 0.000 0.987 251 S HN 0.332 nan 8.310 nan 0.000 0.552 252 W N 1.729 123.024 121.300 -0.008 0.000 3.268 252 W HA 0.241 4.901 4.660 -0.000 0.000 0.330 252 W C -0.674 175.840 176.519 -0.008 0.000 1.074 252 W CA -0.794 56.545 57.345 -0.009 0.000 1.263 252 W CB 0.634 30.088 29.460 -0.009 0.000 1.250 252 W HN 0.816 nan 8.180 nan 0.000 0.425 253 T N -1.152 113.527 114.554 0.209 0.000 2.867 253 T HA 0.401 4.751 4.350 -0.000 0.000 0.282 253 T C 1.131 175.882 174.700 0.084 0.000 1.000 253 T CA -0.491 61.678 62.100 0.115 0.000 1.042 253 T CB 2.023 70.934 68.868 0.072 0.000 0.973 253 T HN 0.132 nan 8.240 nan 0.000 0.465 254 V N 2.520 122.466 119.914 0.054 0.000 2.295 254 V HA -0.378 3.742 4.120 -0.000 0.000 0.262 254 V C 2.793 178.894 176.094 0.011 0.000 1.098 254 V CA 2.761 65.075 62.300 0.024 0.000 1.095 254 V CB -1.694 30.139 31.823 0.017 0.000 0.704 254 V HN 1.061 nan 8.190 nan 0.000 0.454 255 N N 1.909 120.620 118.700 0.018 0.000 2.069 255 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 255 N C 1.192 176.704 175.510 0.003 0.000 1.031 255 N CA 2.028 55.083 53.050 0.009 0.000 0.852 255 N CB -0.489 38.007 38.487 0.015 0.000 1.018 255 N HN 0.825 nan 8.380 nan 0.000 0.423 256 D N -1.473 118.943 120.400 0.027 0.000 2.325 256 D HA 0.048 4.687 4.640 -0.000 0.000 0.234 256 D C 1.412 177.672 176.300 -0.066 0.000 1.122 256 D CA 0.070 54.081 54.000 0.019 0.000 0.850 256 D CB -0.173 40.696 40.800 0.115 0.000 0.921 256 D HN 0.497 nan 8.370 nan 0.000 0.513 257 I N -0.739 119.790 120.570 -0.068 0.000 3.443 257 I HA -0.061 4.109 4.170 -0.000 0.000 0.277 257 I C 1.895 177.953 176.117 -0.097 0.000 1.169 257 I CA 0.013 61.239 61.300 -0.124 0.000 1.419 257 I CB 0.282 38.239 38.000 -0.072 0.000 1.331 257 I HN -0.048 nan 8.210 nan 0.000 0.458 258 Q N 0.809 120.575 119.800 -0.056 0.000 2.124 258 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 258 Q C 1.887 177.857 176.000 -0.051 0.000 0.977 258 Q CA 1.282 57.059 55.803 -0.044 0.000 0.850 258 Q CB -0.059 28.663 28.738 -0.027 0.000 0.901 258 Q HN 0.416 nan 8.270 nan 0.000 0.429 259 K N 0.345 120.711 120.400 -0.058 0.000 2.155 259 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 259 K C 2.078 178.627 176.600 -0.085 0.000 1.052 259 K CA 0.472 56.720 56.287 -0.064 0.000 0.948 259 K CB -0.112 32.353 32.500 -0.057 0.000 0.728 259 K HN 0.084 nan 8.250 nan 0.000 0.448 260 L N 1.518 122.671 121.223 -0.117 0.000 1.955 260 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 260 L C 2.275 179.074 176.870 -0.117 0.000 1.072 260 L CA 1.647 56.390 54.840 -0.161 0.000 0.755 260 L CB -0.833 41.067 42.059 -0.265 0.000 0.888 260 L HN 0.030 nan 8.230 nan 0.000 0.432 261 V N -1.818 118.037 119.914 -0.098 0.000 2.216 261 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 261 V C 2.468 178.545 176.094 -0.029 0.000 1.044 261 V CA 1.748 64.011 62.300 -0.061 0.000 0.995 261 V CB -2.357 29.437 31.823 -0.049 0.000 0.633 261 V HN 0.483 nan 8.190 nan 0.000 0.446 262 G N 0.085 108.872 108.800 -0.022 0.000 2.717 262 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.224 262 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.224 262 G C 1.638 176.550 174.900 0.022 0.000 1.088 262 G CA 1.579 46.681 45.100 0.003 0.000 0.734 262 G HN 0.619 nan 8.290 nan 0.000 0.616 263 K N -0.583 119.807 120.400 -0.017 0.000 2.067 263 K HA 0.223 4.543 4.320 -0.000 0.000 0.203 263 K C 2.598 179.221 176.600 0.038 0.000 1.048 263 K CA 0.366 56.641 56.287 -0.021 0.000 0.954 263 K CB -0.215 32.237 32.500 -0.079 0.000 0.737 263 K HN 0.296 nan 8.250 nan 0.000 0.444 264 L N 1.487 122.710 121.223 -0.001 0.000 2.027 264 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 264 L C 1.745 178.649 176.870 0.055 0.000 1.074 264 L CA 0.876 55.715 54.840 -0.002 0.000 0.745 264 L CB -0.518 41.518 42.059 -0.038 0.000 0.898 264 L HN 0.166 nan 8.230 nan 0.000 0.433 265 N N -0.675 118.060 118.700 0.059 0.000 2.659 265 N HA -0.241 4.499 4.740 -0.000 0.000 0.194 265 N C 1.225 176.816 175.510 0.136 0.000 1.140 265 N CA 0.942 54.037 53.050 0.075 0.000 0.936 265 N CB -0.100 38.424 38.487 0.061 0.000 0.970 265 N HN 0.584 nan 8.380 nan 0.000 0.449 266 W N 0.550 121.843 121.300 -0.011 0.000 2.798 266 W HA 0.263 4.923 4.660 -0.000 0.000 0.260 266 W C 1.651 178.199 176.519 0.048 0.000 1.165 266 W CA 0.637 57.990 57.345 0.012 0.000 1.501 266 W CB -0.461 28.971 29.460 -0.047 0.000 1.023 266 W HN -0.030 nan 8.180 nan 0.000 0.615 267 A N 1.843 124.829 122.820 0.277 0.000 1.940 267 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 267 A C 2.207 179.867 177.584 0.127 0.000 1.176 267 A CA 3.245 55.359 52.037 0.129 0.000 0.631 267 A CB -1.334 17.581 19.000 -0.140 0.000 0.814 267 A HN 0.438 nan 8.150 nan 0.000 0.446 268 S N 1.145 116.890 115.700 0.075 0.000 2.408 268 S HA -0.438 4.032 4.470 -0.000 0.000 0.241 268 S C 2.029 176.664 174.600 0.060 0.000 1.080 268 S CA 2.158 60.392 58.200 0.056 0.000 1.109 268 S CB -1.148 62.067 63.200 0.025 0.000 0.966 268 S HN 0.858 nan 8.310 nan 0.000 0.449 269 Q N -0.235 119.594 119.800 0.049 0.000 2.368 269 Q HA 0.018 4.358 4.340 -0.000 0.000 0.210 269 Q C 1.706 177.837 176.000 0.219 0.000 0.982 269 Q CA 1.501 57.382 55.803 0.130 0.000 0.884 269 Q CB -0.288 28.557 28.738 0.179 0.000 0.933 269 Q HN 0.682 nan 8.270 nan 0.000 0.460 270 I N -1.728 118.959 120.570 0.195 0.000 4.779 270 I HA 0.224 4.394 4.170 -0.000 0.000 0.339 270 I C -0.983 175.124 176.117 -0.015 0.000 1.293 270 I CA -0.750 60.591 61.300 0.069 0.000 1.324 270 I CB 0.948 38.866 38.000 -0.136 0.000 1.424 270 I HN -0.034 nan 8.210 nan 0.000 0.489 271 Y N 2.845 123.148 120.300 0.005 0.000 2.350 271 Y HA 0.497 5.047 4.550 -0.000 0.000 0.340 271 Y C -2.056 173.847 175.900 0.006 0.000 1.006 271 Y CA -2.833 55.272 58.100 0.008 0.000 1.166 271 Y CB 0.313 38.785 38.460 0.020 0.000 1.168 271 Y HN 0.008 nan 8.280 nan 0.000 0.502 272 P HA 0.203 nan 4.420 nan 0.000 0.249 272 P C 0.565 177.905 177.300 0.066 0.000 1.737 272 P CA 0.691 63.822 63.100 0.053 0.000 1.128 272 P CB 0.077 31.795 31.700 0.029 0.000 1.942 273 G N 1.541 110.382 108.800 0.068 0.000 3.272 273 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 273 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 273 G C 0.127 175.054 174.900 0.046 0.000 0.952 273 G CA -0.531 44.601 45.100 0.054 0.000 0.833 273 G HN 0.304 nan 8.290 nan 0.000 0.608 274 I N 2.020 122.623 120.570 0.055 0.000 2.775 274 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 274 I C 0.483 176.609 176.117 0.016 0.000 1.203 274 I CA 0.783 62.101 61.300 0.031 0.000 1.433 274 I CB 0.554 38.569 38.000 0.026 0.000 1.354 274 I HN 0.050 nan 8.210 nan 0.000 0.579 275 K N 5.289 125.692 120.400 0.004 0.000 2.328 275 K HA 0.679 4.999 4.320 -0.000 0.000 0.246 275 K C -0.464 176.128 176.600 -0.014 0.000 0.955 275 K CA -0.782 55.504 56.287 -0.002 0.000 0.817 275 K CB 2.770 35.266 32.500 -0.007 0.000 1.208 275 K HN 0.320 nan 8.250 nan 0.000 0.432 276 V N 1.090 120.995 119.914 -0.016 0.000 3.899 276 V HA 0.033 4.153 4.120 -0.000 0.000 0.397 276 V C 1.368 177.444 176.094 -0.029 0.000 1.633 276 V CA -0.332 61.951 62.300 -0.028 0.000 1.575 276 V CB 0.242 32.049 31.823 -0.027 0.000 1.066 276 V HN 0.815 nan 8.190 nan 0.000 0.504 277 R N 0.794 121.281 120.500 -0.022 0.000 2.082 277 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 277 R C 2.122 178.409 176.300 -0.023 0.000 1.136 277 R CA 2.148 58.236 56.100 -0.021 0.000 0.935 277 R CB -0.019 30.274 30.300 -0.011 0.000 0.842 277 R HN 0.448 nan 8.270 nan 0.000 0.430 278 Q N 0.755 120.542 119.800 -0.022 0.000 1.998 278 Q HA -0.220 4.120 4.340 -0.000 0.000 0.209 278 Q C 2.382 178.364 176.000 -0.031 0.000 1.002 278 Q CA 1.985 57.775 55.803 -0.022 0.000 0.858 278 Q CB -0.624 28.102 28.738 -0.021 0.000 0.932 278 Q HN 0.456 nan 8.270 nan 0.000 0.416 279 L N 0.639 121.834 121.223 -0.048 0.000 2.151 279 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 279 L C 2.509 179.349 176.870 -0.050 0.000 1.084 279 L CA 0.984 55.784 54.840 -0.066 0.000 0.764 279 L CB -0.405 41.597 42.059 -0.096 0.000 0.891 279 L HN 0.152 nan 8.230 nan 0.000 0.435 280 S N -0.418 115.259 115.700 -0.038 0.000 2.349 280 S HA -0.221 4.249 4.470 -0.000 0.000 0.216 280 S C 1.878 176.465 174.600 -0.022 0.000 1.033 280 S CA 1.203 59.385 58.200 -0.029 0.000 1.021 280 S CB -0.202 62.983 63.200 -0.026 0.000 0.968 280 S HN 0.313 nan 8.310 nan 0.000 0.426 281 K N 0.808 121.198 120.400 -0.017 0.000 2.148 281 K HA -0.237 4.083 4.320 -0.000 0.000 0.213 281 K C 1.965 178.560 176.600 -0.008 0.000 1.050 281 K CA 1.538 57.819 56.287 -0.011 0.000 0.932 281 K CB -0.848 31.647 32.500 -0.008 0.000 0.717 281 K HN 0.308 nan 8.250 nan 0.000 0.462 282 L N 0.346 121.563 121.223 -0.009 0.000 2.040 282 L HA -0.302 4.038 4.340 -0.000 0.000 0.228 282 L C 2.485 179.354 176.870 -0.000 0.000 1.092 282 L CA 1.464 56.303 54.840 -0.003 0.000 0.805 282 L CB -0.787 41.266 42.059 -0.010 0.000 0.905 282 L HN 0.271 nan 8.230 nan 0.000 0.443 283 L N 0.345 121.564 121.223 -0.006 0.000 2.211 283 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 283 L C 1.668 178.539 176.870 0.001 0.000 1.092 283 L CA 1.329 56.167 54.840 -0.003 0.000 0.767 283 L CB -0.538 41.518 42.059 -0.006 0.000 0.894 283 L HN 0.108 nan 8.230 nan 0.000 0.437 284 R N 0.014 120.515 120.500 0.000 0.000 2.458 284 R HA 0.307 4.647 4.340 -0.000 0.000 0.303 284 R C 0.719 177.022 176.300 0.005 0.000 1.013 284 R CA 0.859 56.960 56.100 0.002 0.000 1.026 284 R CB -0.266 30.034 30.300 0.000 0.000 0.948 284 R HN 0.479 nan 8.270 nan 0.000 0.417 285 G N 2.254 111.057 108.800 0.005 0.000 2.255 285 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.239 285 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.239 285 G C -0.160 174.745 174.900 0.008 0.000 1.083 285 G CA 0.214 45.318 45.100 0.006 0.000 0.826 285 G HN 0.817 nan 8.290 nan 0.000 0.493 286 T N -2.156 112.403 114.554 0.008 0.000 2.733 286 T HA 0.684 5.034 4.350 -0.000 0.000 0.312 286 T C 0.506 175.211 174.700 0.008 0.000 1.590 286 T CA 0.277 62.382 62.100 0.009 0.000 1.005 286 T CB 1.423 70.298 68.868 0.012 0.000 1.528 286 T HN 0.168 nan 8.240 nan 0.000 0.496 287 K N -0.026 120.379 120.400 0.008 0.000 2.889 287 K HA 0.556 4.876 4.320 -0.000 0.000 0.209 287 K C 0.540 177.145 176.600 0.008 0.000 1.651 287 K CA 0.112 56.403 56.287 0.007 0.000 1.170 287 K CB 0.165 32.669 32.500 0.007 0.000 1.981 287 K HN 0.707 nan 8.250 nan 0.000 0.522 288 A N 2.443 125.269 122.820 0.009 0.000 2.540 288 A HA 0.060 4.380 4.320 -0.000 0.000 0.239 288 A C 1.214 178.805 177.584 0.012 0.000 1.061 288 A CA 0.197 52.240 52.037 0.010 0.000 0.758 288 A CB -0.146 18.860 19.000 0.011 0.000 0.991 288 A HN 0.365 nan 8.150 nan 0.000 0.502 289 L N 1.627 122.856 121.223 0.011 0.000 2.201 289 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 289 L C 0.854 177.736 176.870 0.019 0.000 1.105 289 L CA 1.121 55.969 54.840 0.013 0.000 0.775 289 L CB -0.679 41.385 42.059 0.010 0.000 0.913 289 L HN 0.669 nan 8.230 nan 0.000 0.440 290 T N 0.339 114.905 114.554 0.019 0.000 3.336 290 T HA 0.364 4.714 4.350 -0.000 0.000 0.384 290 T C -0.288 174.426 174.700 0.024 0.000 1.704 290 T CA -0.158 61.956 62.100 0.024 0.000 1.334 290 T CB 0.699 69.579 68.868 0.020 0.000 1.131 290 T HN 0.050 nan 8.240 nan 0.000 0.684 291 E N 1.016 121.234 120.200 0.029 0.000 2.393 291 E HA 0.564 4.914 4.350 -0.000 0.000 0.265 291 E C -0.951 175.669 176.600 0.034 0.000 0.941 291 E CA -0.979 55.437 56.400 0.026 0.000 0.801 291 E CB 1.637 31.349 29.700 0.021 0.000 1.313 291 E HN 0.121 nan 8.360 nan 0.000 0.435 292 V N 2.930 122.861 119.914 0.028 0.000 2.387 292 V HA 0.411 4.531 4.120 -0.000 0.000 0.260 292 V C -0.511 175.604 176.094 0.036 0.000 1.054 292 V CA 0.014 62.332 62.300 0.031 0.000 0.967 292 V CB 0.119 31.954 31.823 0.020 0.000 1.036 292 V HN 0.538 nan 8.190 nan 0.000 0.481 293 I N 9.166 129.767 120.570 0.051 0.000 2.862 293 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 293 I C -2.279 173.879 176.117 0.068 0.000 1.339 293 I CA -2.470 58.861 61.300 0.052 0.000 1.002 293 I CB 1.140 39.171 38.000 0.052 0.000 1.618 293 I HN 0.522 nan 8.210 nan 0.000 0.593 294 P HA -0.072 nan 4.420 nan 0.000 0.245 294 P C -0.086 177.258 177.300 0.073 0.000 1.123 294 P CA 0.119 63.252 63.100 0.056 0.000 0.853 294 P CB -0.030 31.691 31.700 0.035 0.000 0.786 295 L N 3.754 125.048 121.223 0.118 0.000 2.536 295 L HA 0.046 4.386 4.340 -0.000 0.000 0.294 295 L C 0.720 177.644 176.870 0.090 0.000 1.257 295 L CA 1.320 56.245 54.840 0.142 0.000 0.850 295 L CB 0.240 42.459 42.059 0.266 0.000 1.105 295 L HN 0.324 nan 8.230 nan 0.000 0.517 296 T N 1.912 116.508 114.554 0.071 0.000 2.932 296 T HA 0.291 4.641 4.350 -0.000 0.000 0.289 296 T C 0.897 175.624 174.700 0.045 0.000 1.039 296 T CA -0.440 61.688 62.100 0.047 0.000 1.024 296 T CB 0.946 69.831 68.868 0.028 0.000 1.090 296 T HN 0.767 nan 8.240 nan 0.000 0.496 297 E N 1.691 121.912 120.200 0.034 0.000 2.082 297 E HA -0.261 4.089 4.350 -0.000 0.000 0.215 297 E C 1.674 178.289 176.600 0.025 0.000 1.048 297 E CA 2.147 58.565 56.400 0.029 0.000 0.869 297 E CB -0.099 29.613 29.700 0.019 0.000 0.773 297 E HN 0.702 nan 8.360 nan 0.000 0.466 298 E N 0.720 120.929 120.200 0.015 0.000 2.072 298 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 298 E C 1.963 178.566 176.600 0.006 0.000 0.985 298 E CA 1.076 57.481 56.400 0.009 0.000 0.801 298 E CB -0.432 29.269 29.700 0.002 0.000 0.750 298 E HN 0.344 nan 8.360 nan 0.000 0.452 299 A N 1.293 124.116 122.820 0.005 0.000 1.896 299 A HA -0.376 3.944 4.320 -0.000 0.000 0.220 299 A C 2.039 179.618 177.584 -0.007 0.000 1.206 299 A CA 2.326 54.358 52.037 -0.009 0.000 0.647 299 A CB -0.854 18.143 19.000 -0.006 0.000 0.828 299 A HN 0.232 nan 8.150 nan 0.000 0.455 300 E N -0.850 119.369 120.200 0.032 0.000 2.171 300 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 300 E C 1.828 178.446 176.600 0.029 0.000 0.997 300 E CA 1.167 57.601 56.400 0.056 0.000 0.810 300 E CB -0.307 29.449 29.700 0.094 0.000 0.738 300 E HN 0.542 nan 8.360 nan 0.000 0.467 301 L N 1.007 122.241 121.223 0.018 0.000 2.005 301 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 301 L C 2.378 179.247 176.870 -0.001 0.000 1.072 301 L CA 2.619 57.466 54.840 0.011 0.000 0.744 301 L CB -1.148 40.916 42.059 0.008 0.000 0.895 301 L HN 0.216 nan 8.230 nan 0.000 0.433 302 E N -0.349 119.844 120.200 -0.012 0.000 2.033 302 E HA -0.315 4.035 4.350 -0.000 0.000 0.199 302 E C 2.135 178.718 176.600 -0.028 0.000 1.011 302 E CA 1.934 58.321 56.400 -0.021 0.000 0.815 302 E CB -1.510 28.171 29.700 -0.032 0.000 0.755 302 E HN 0.474 nan 8.360 nan 0.000 0.451 303 L N 0.367 121.562 121.223 -0.047 0.000 2.151 303 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 303 L C 2.668 179.525 176.870 -0.023 0.000 1.084 303 L CA 2.390 57.192 54.840 -0.063 0.000 0.764 303 L CB -0.631 41.369 42.059 -0.099 0.000 0.891 303 L HN 0.448 nan 8.230 nan 0.000 0.435 304 A N -1.458 121.361 122.820 -0.002 0.000 1.898 304 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 304 A C 2.126 179.716 177.584 0.010 0.000 1.183 304 A CA 1.255 53.300 52.037 0.013 0.000 0.622 304 A CB -0.385 18.628 19.000 0.021 0.000 0.824 304 A HN 0.543 nan 8.150 nan 0.000 0.444 305 E N 0.652 120.855 120.200 0.005 0.000 2.001 305 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 305 E C 1.846 178.454 176.600 0.013 0.000 0.994 305 E CA 1.354 57.760 56.400 0.010 0.000 0.815 305 E CB -0.456 29.248 29.700 0.008 0.000 0.770 305 E HN 0.884 nan 8.360 nan 0.000 0.453 306 N N 1.120 119.823 118.700 0.005 0.000 2.247 306 N HA -0.264 4.476 4.740 -0.000 0.000 0.189 306 N C 1.934 177.444 175.510 0.000 0.000 1.009 306 N CA 0.829 53.883 53.050 0.007 0.000 0.872 306 N CB -0.287 38.190 38.487 -0.017 0.000 0.980 306 N HN -0.070 nan 8.380 nan 0.000 0.436 307 R N 1.502 121.999 120.500 -0.005 0.000 2.211 307 R HA -0.157 4.183 4.340 -0.000 0.000 0.240 307 R C 1.910 178.219 176.300 0.015 0.000 1.144 307 R CA 1.537 57.635 56.100 -0.002 0.000 0.992 307 R CB -0.214 30.090 30.300 0.006 0.000 0.869 307 R HN 0.536 nan 8.270 nan 0.000 0.462 308 E N -0.482 119.734 120.200 0.026 0.000 2.038 308 E HA 0.034 4.383 4.350 -0.000 0.000 0.190 308 E C 1.824 178.462 176.600 0.063 0.000 0.967 308 E CA 0.923 57.346 56.400 0.038 0.000 0.816 308 E CB -0.178 29.541 29.700 0.032 0.000 0.784 308 E HN 0.308 nan 8.360 nan 0.000 0.456 309 I N 1.392 122.012 120.570 0.083 0.000 2.381 309 I HA -0.305 3.865 4.170 -0.000 0.000 0.255 309 I C 2.093 178.356 176.117 0.243 0.000 1.140 309 I CA 0.900 62.284 61.300 0.140 0.000 1.404 309 I CB -0.252 37.846 38.000 0.163 0.000 1.075 309 I HN 0.289 nan 8.210 nan 0.000 0.433 310 L N 0.460 121.793 121.223 0.183 0.000 2.083 310 L HA -0.241 4.098 4.340 -0.000 0.000 0.209 310 L C 2.565 179.547 176.870 0.187 0.000 1.083 310 L CA 1.141 56.092 54.840 0.184 0.000 0.752 310 L CB -0.698 41.341 42.059 -0.034 0.000 0.899 310 L HN 0.261 nan 8.230 nan 0.000 0.433 311 K N 1.102 121.565 120.400 0.104 0.000 2.081 311 K HA -0.241 4.079 4.320 -0.000 0.000 0.222 311 K C 0.362 177.004 176.600 0.071 0.000 1.055 311 K CA 1.755 58.083 56.287 0.069 0.000 0.954 311 K CB -0.092 32.436 32.500 0.046 0.000 0.732 311 K HN 0.331 nan 8.250 nan 0.000 0.458 312 E N 1.670 121.913 120.200 0.071 0.000 2.014 312 E HA 0.216 4.566 4.350 -0.000 0.000 0.275 312 E C -2.408 174.213 176.600 0.035 0.000 0.997 312 E CA -2.212 54.205 56.400 0.029 0.000 0.804 312 E CB 1.512 31.205 29.700 -0.012 0.000 1.090 312 E HN 0.225 nan 8.360 nan 0.000 0.401 313 P HA -0.134 nan 4.420 nan 0.000 0.264 313 P C -0.190 177.002 177.300 -0.179 0.000 1.179 313 P CA 0.113 63.252 63.100 0.065 0.000 0.763 313 P CB 0.478 32.208 31.700 0.050 0.000 0.806 314 V N 1.151 120.816 119.914 -0.414 0.000 3.463 314 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 314 V C -0.306 175.643 176.094 -0.242 0.000 1.097 314 V CA -0.364 61.662 62.300 -0.456 0.000 1.003 314 V CB 1.135 32.481 31.823 -0.794 0.000 1.229 314 V HN 0.534 nan 8.190 nan 0.000 0.444 315 H N -1.178 117.709 119.070 -0.305 0.000 3.026 315 H HA 0.577 5.133 4.556 -0.000 0.000 0.352 315 H C -0.204 174.902 175.328 -0.370 0.000 1.090 315 H CA -0.367 55.503 56.048 -0.297 0.000 1.268 315 H CB 1.972 31.645 29.762 -0.149 0.000 1.816 315 H HN 1.185 nan 8.280 nan 0.000 0.518 316 G N 2.014 110.429 108.800 -0.641 0.000 2.434 316 G HA2 0.515 4.475 3.960 -0.000 0.000 0.330 316 G HA3 0.515 4.475 3.960 -0.000 0.000 0.330 316 G C -0.274 174.529 174.900 -0.160 0.000 1.155 316 G CA -0.386 44.388 45.100 -0.543 0.000 0.917 316 G HN 0.369 nan 8.290 nan 0.000 0.493 317 V N -0.351 119.725 119.914 0.270 0.000 3.438 317 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 317 V C -0.365 176.073 176.094 0.574 0.000 1.148 317 V CA -0.892 61.554 62.300 0.243 0.000 0.994 317 V CB 0.837 32.762 31.823 0.171 0.000 1.236 317 V HN 0.668 nan 8.190 nan 0.000 0.455 318 Y N -1.156 119.312 120.300 0.280 0.000 2.602 318 Y HA 0.513 5.063 4.550 -0.000 0.000 0.330 318 Y C -0.788 175.262 175.900 0.249 0.000 1.114 318 Y CA -0.943 57.300 58.100 0.239 0.000 1.182 318 Y CB 2.058 40.617 38.460 0.166 0.000 1.305 318 Y HN 0.637 nan 8.280 nan 0.000 0.502 319 Y N 1.154 121.603 120.300 0.248 0.000 2.342 319 Y HA 0.210 4.760 4.550 -0.000 0.000 0.334 319 Y C -0.542 175.394 175.900 0.061 0.000 1.067 319 Y CA -0.900 57.267 58.100 0.112 0.000 1.128 319 Y CB 1.088 39.606 38.460 0.098 0.000 1.200 319 Y HN 0.454 nan 8.280 nan 0.000 0.464 320 D N 8.243 128.402 120.400 -0.402 0.000 2.494 320 D HA 0.245 4.885 4.640 -0.000 0.000 0.217 320 D C -1.899 173.858 176.300 -0.906 0.000 1.153 320 D CA -2.248 51.462 54.000 -0.484 0.000 0.954 320 D CB 1.272 41.933 40.800 -0.232 0.000 1.034 320 D HN 0.472 nan 8.370 nan 0.000 0.518 321 P HA -0.239 nan 4.420 nan 0.000 0.219 321 P C 1.436 178.516 177.300 -0.367 0.000 1.149 321 P CA 1.284 63.968 63.100 -0.693 0.000 0.835 321 P CB 0.286 31.827 31.700 -0.265 0.000 0.778 322 S N -1.755 113.771 115.700 -0.290 0.000 2.357 322 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 322 S C 0.996 175.504 174.600 -0.153 0.000 1.031 322 S CA 0.611 58.711 58.200 -0.166 0.000 0.982 322 S CB -0.710 62.417 63.200 -0.122 0.000 0.853 322 S HN 0.070 nan 8.310 nan 0.000 0.458 323 K N 2.658 122.946 120.400 -0.186 0.000 2.180 323 K HA 0.160 4.480 4.320 -0.000 0.000 0.251 323 K C -0.414 176.125 176.600 -0.102 0.000 1.014 323 K CA -0.069 56.142 56.287 -0.126 0.000 0.913 323 K CB 0.154 32.592 32.500 -0.104 0.000 1.008 323 K HN 0.544 nan 8.250 nan 0.000 0.490 324 D N 1.657 122.010 120.400 -0.078 0.000 2.255 324 D HA 0.130 4.770 4.640 -0.000 0.000 0.249 324 D C -0.031 176.192 176.300 -0.128 0.000 1.078 324 D CA -0.330 53.620 54.000 -0.083 0.000 0.896 324 D CB 0.843 41.594 40.800 -0.081 0.000 1.194 324 D HN 0.226 nan 8.370 nan 0.000 0.429 325 L N 0.989 122.100 121.223 -0.186 0.000 2.418 325 L HA 0.478 4.818 4.340 -0.000 0.000 0.265 325 L C 0.202 176.827 176.870 -0.408 0.000 1.143 325 L CA -0.629 54.006 54.840 -0.342 0.000 0.809 325 L CB 0.673 42.453 42.059 -0.464 0.000 1.124 325 L HN 0.325 nan 8.230 nan 0.000 0.456 326 I N 1.246 121.474 120.570 -0.570 0.000 2.775 326 I HA 0.575 4.745 4.170 -0.000 0.000 0.295 326 I C -0.884 174.711 176.117 -0.870 0.000 1.287 326 I CA -0.475 60.399 61.300 -0.710 0.000 1.029 326 I CB 2.217 39.755 38.000 -0.770 0.000 1.282 326 I HN 0.603 nan 8.210 nan 0.000 0.426 327 A N 4.989 127.359 122.820 -0.750 0.000 2.398 327 A HA 0.818 5.137 4.320 -0.000 0.000 0.301 327 A C -1.085 176.316 177.584 -0.305 0.000 1.041 327 A CA -0.540 51.163 52.037 -0.555 0.000 0.711 327 A CB 1.531 20.132 19.000 -0.664 0.000 1.240 327 A HN 0.722 nan 8.150 nan 0.000 0.420 328 E N 1.187 121.339 120.200 -0.079 0.000 2.281 328 E HA 0.767 5.117 4.350 -0.000 0.000 0.262 328 E C -1.162 175.549 176.600 0.185 0.000 0.933 328 E CA -0.729 55.714 56.400 0.072 0.000 0.809 328 E CB 2.422 32.182 29.700 0.100 0.000 1.242 328 E HN 0.569 nan 8.360 nan 0.000 0.418 329 I N 1.203 121.913 120.570 0.233 0.000 2.769 329 I HA 0.206 4.376 4.170 -0.000 0.000 0.298 329 I C -0.953 175.339 176.117 0.292 0.000 1.128 329 I CA -0.895 60.597 61.300 0.320 0.000 1.031 329 I CB 2.148 40.368 38.000 0.366 0.000 1.235 329 I HN 0.409 nan 8.210 nan 0.000 0.423 330 Q N 4.357 124.323 119.800 0.277 0.000 2.389 330 Q HA 0.366 4.706 4.340 -0.000 0.000 0.277 330 Q C -1.158 174.850 176.000 0.014 0.000 1.082 330 Q CA -1.080 54.815 55.803 0.153 0.000 0.810 330 Q CB 2.778 31.570 28.738 0.091 0.000 1.374 330 Q HN 0.499 nan 8.270 nan 0.000 0.422 331 K N 2.314 122.581 120.400 -0.221 0.000 2.171 331 K HA 0.057 4.377 4.320 -0.000 0.000 0.274 331 K C 0.635 176.996 176.600 -0.399 0.000 1.110 331 K CA 0.231 56.092 56.287 -0.710 0.000 0.952 331 K CB 0.456 32.475 32.500 -0.801 0.000 1.309 331 K HN 0.646 nan 8.250 nan 0.000 0.414 332 Q N 1.715 121.328 119.800 -0.310 0.000 1.967 332 Q HA -0.169 4.171 4.340 -0.000 0.000 0.210 332 Q C 0.902 176.803 176.000 -0.165 0.000 1.005 332 Q CA 2.182 57.888 55.803 -0.162 0.000 0.862 332 Q CB 0.050 28.729 28.738 -0.098 0.000 0.939 332 Q HN 0.847 nan 8.270 nan 0.000 0.417 333 G N -1.602 107.078 108.800 -0.200 0.000 3.310 333 G HA2 0.190 4.150 3.960 -0.000 0.000 0.174 333 G HA3 0.190 4.150 3.960 -0.000 0.000 0.174 333 G C -1.125 173.696 174.900 -0.131 0.000 1.097 333 G CA -0.591 44.430 45.100 -0.132 0.000 0.795 333 G HN 0.129 nan 8.290 nan 0.000 0.670 334 Q N 0.880 120.643 119.800 -0.062 0.000 3.027 334 Q HA 0.420 4.760 4.340 -0.000 0.000 0.260 334 Q C 0.843 176.857 176.000 0.024 0.000 1.379 334 Q CA 0.466 56.258 55.803 -0.018 0.000 1.038 334 Q CB 0.288 29.024 28.738 -0.003 0.000 1.578 334 Q HN 1.075 nan 8.270 nan 0.000 0.571 335 G N 1.031 109.849 108.800 0.030 0.000 2.253 335 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.209 335 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.209 335 G C 0.081 175.118 174.900 0.229 0.000 0.997 335 G CA -0.620 44.607 45.100 0.211 0.000 0.640 335 G HN 0.458 nan 8.290 nan 0.000 0.496 336 Q N -0.819 118.972 119.800 -0.016 0.000 2.259 336 Q HA 0.590 4.930 4.340 -0.000 0.000 0.246 336 Q C -0.891 174.992 176.000 -0.194 0.000 0.920 336 Q CA -0.221 55.604 55.803 0.036 0.000 0.895 336 Q CB 0.978 29.709 28.738 -0.011 0.000 1.220 336 Q HN 0.388 nan 8.270 nan 0.000 0.439 337 W N 0.402 121.819 121.300 0.195 0.000 2.957 337 W HA 0.416 5.076 4.660 -0.000 0.000 0.336 337 W C -0.529 176.122 176.519 0.220 0.000 1.087 337 W CA -0.538 56.945 57.345 0.230 0.000 1.235 337 W CB 2.188 31.839 29.460 0.319 0.000 1.399 337 W HN 0.359 nan 8.180 nan 0.000 0.480 338 T N 3.398 118.141 114.554 0.317 0.000 2.829 338 T HA 0.665 5.015 4.350 -0.000 0.000 0.280 338 T C -1.072 173.823 174.700 0.324 0.000 0.999 338 T CA -0.313 61.923 62.100 0.228 0.000 0.983 338 T CB 0.478 69.406 68.868 0.100 0.000 0.968 338 T HN 0.341 nan 8.240 nan 0.000 0.446 339 Y N 2.071 122.491 120.300 0.199 0.000 2.698 339 Y HA 0.847 5.397 4.550 -0.000 0.000 0.332 339 Y C -1.039 174.945 175.900 0.140 0.000 1.119 339 Y CA -1.234 56.969 58.100 0.173 0.000 1.109 339 Y CB 1.464 40.038 38.460 0.190 0.000 1.308 339 Y HN 0.571 nan 8.280 nan 0.000 0.499 340 Q N 1.253 121.344 119.800 0.483 0.000 2.468 340 Q HA 0.399 4.739 4.340 -0.000 0.000 0.263 340 Q C -2.390 173.736 176.000 0.209 0.000 0.979 340 Q CA -0.642 55.363 55.803 0.338 0.000 0.932 340 Q CB 2.263 31.133 28.738 0.219 0.000 1.462 340 Q HN 0.801 nan 8.270 nan 0.000 0.403 341 I N 3.485 124.158 120.570 0.173 0.000 2.382 341 I HA 0.468 4.638 4.170 -0.000 0.000 0.286 341 I C -0.738 175.349 176.117 -0.050 0.000 1.002 341 I CA -0.416 60.822 61.300 -0.102 0.000 1.135 341 I CB 0.913 38.832 38.000 -0.135 0.000 1.288 341 I HN 0.612 nan 8.210 nan 0.000 0.448 342 Y N 3.210 123.432 120.300 -0.130 0.000 2.693 342 Y HA 0.698 5.248 4.550 -0.000 0.000 0.331 342 Y C 0.317 176.131 175.900 -0.144 0.000 1.092 342 Y CA -0.911 57.127 58.100 -0.102 0.000 1.131 342 Y CB 0.990 39.400 38.460 -0.084 0.000 1.318 342 Y HN 0.469 nan 8.280 nan 0.000 0.510 343 Q N -0.735 119.192 119.800 0.212 0.000 2.254 343 Q HA 0.287 4.627 4.340 -0.000 0.000 0.259 343 Q C -0.873 175.217 176.000 0.150 0.000 0.815 343 Q CA 0.142 55.999 55.803 0.090 0.000 0.961 343 Q CB 1.553 30.311 28.738 0.033 0.000 1.140 343 Q HN 0.630 nan 8.270 nan 0.000 0.502 344 E N 1.187 121.488 120.200 0.168 0.000 2.290 344 E HA 0.316 4.665 4.350 -0.000 0.000 0.274 344 E C -2.773 173.773 176.600 -0.090 0.000 0.889 344 E CA -2.180 54.256 56.400 0.059 0.000 0.760 344 E CB 2.045 31.768 29.700 0.039 0.000 1.206 344 E HN -0.157 nan 8.360 nan 0.000 0.419 345 P HA -0.138 nan 4.420 nan 0.000 0.257 345 P C -0.338 176.828 177.300 -0.224 0.000 1.144 345 P CA 0.981 63.791 63.100 -0.482 0.000 0.761 345 P CB -0.224 31.406 31.700 -0.116 0.000 0.734 346 F N 0.902 120.588 119.950 -0.441 0.000 2.748 346 F HA -0.273 4.254 4.527 -0.000 0.000 0.370 346 F C 1.022 176.737 175.800 -0.141 0.000 0.620 346 F CA 1.007 58.863 58.000 -0.241 0.000 1.233 346 F CB -1.728 37.176 39.000 -0.160 0.000 1.708 346 F HN 0.373 nan 8.300 nan 0.000 0.298 347 K N 1.196 121.587 120.400 -0.014 0.000 2.994 347 K HA 0.171 4.491 4.320 -0.000 0.000 0.231 347 K C 0.214 176.875 176.600 0.103 0.000 1.174 347 K CA -0.471 55.850 56.287 0.056 0.000 1.221 347 K CB -0.186 32.350 32.500 0.061 0.000 1.166 347 K HN 0.129 nan 8.250 nan 0.000 0.453 348 N N 1.005 119.766 118.700 0.102 0.000 2.121 348 N HA -0.162 4.578 4.740 -0.000 0.000 0.260 348 N C 0.761 176.412 175.510 0.235 0.000 1.229 348 N CA 0.542 53.700 53.050 0.180 0.000 0.830 348 N CB 0.373 38.940 38.487 0.133 0.000 1.073 348 N HN 0.151 nan 8.380 nan 0.000 0.465 349 L N 0.327 121.739 121.223 0.314 0.000 2.672 349 L HA 0.353 4.693 4.340 -0.000 0.000 0.236 349 L C 0.709 177.969 176.870 0.649 0.000 1.092 349 L CA 0.409 55.541 54.840 0.486 0.000 0.887 349 L CB -0.094 42.216 42.059 0.418 0.000 1.168 349 L HN 0.611 nan 8.230 nan 0.000 0.502 350 K N -0.671 120.015 120.400 0.476 0.000 2.894 350 K HA 0.399 4.719 4.320 -0.000 0.000 0.293 350 K C -1.429 175.352 176.600 0.302 0.000 1.091 350 K CA -0.008 56.556 56.287 0.461 0.000 0.865 350 K CB 1.027 33.774 32.500 0.411 0.000 1.441 350 K HN -0.058 nan 8.250 nan 0.000 0.361 351 T N -1.026 113.643 114.554 0.191 0.000 2.778 351 T HA 0.931 5.281 4.350 -0.000 0.000 0.293 351 T C -0.044 174.490 174.700 -0.276 0.000 1.144 351 T CA -0.245 61.864 62.100 0.015 0.000 1.010 351 T CB 1.899 70.779 68.868 0.020 0.000 1.325 351 T HN 0.924 nan 8.240 nan 0.000 0.515 352 G N -0.087 108.244 108.800 -0.781 0.000 2.488 352 G HA2 0.656 4.616 3.960 -0.000 0.000 0.301 352 G HA3 0.656 4.616 3.960 -0.000 0.000 0.301 352 G C -1.887 172.598 174.900 -0.691 0.000 1.339 352 G CA -0.819 43.740 45.100 -0.901 0.000 0.803 352 G HN 1.015 nan 8.290 nan 0.000 0.482 353 K N -2.070 118.181 120.400 -0.248 0.000 2.213 353 K HA 0.854 5.174 4.320 -0.000 0.000 0.254 353 K C -1.857 174.952 176.600 0.350 0.000 1.062 353 K CA -1.221 55.115 56.287 0.081 0.000 0.884 353 K CB 2.610 35.143 32.500 0.056 0.000 1.437 353 K HN 0.921 nan 8.250 nan 0.000 0.464 354 Y N -0.515 119.943 120.300 0.262 0.000 2.337 354 Y HA 0.474 5.024 4.550 -0.000 0.000 0.318 354 Y C -2.332 173.756 175.900 0.312 0.000 1.258 354 Y CA -0.381 57.887 58.100 0.281 0.000 1.132 354 Y CB 1.652 40.295 38.460 0.305 0.000 1.307 354 Y HN 0.976 nan 8.280 nan 0.000 0.428 355 A N 4.094 126.565 122.820 -0.581 0.000 2.393 355 A HA 0.900 5.220 4.320 -0.000 0.000 0.306 355 A C -0.892 176.377 177.584 -0.525 0.000 1.050 355 A CA -0.440 51.424 52.037 -0.289 0.000 0.724 355 A CB 0.985 19.922 19.000 -0.105 0.000 1.248 355 A HN 1.275 nan 8.150 nan 0.000 0.424 356 R N 2.205 122.621 120.500 -0.140 0.000 2.419 356 R HA 0.452 4.792 4.340 -0.000 0.000 0.305 356 R C 0.458 176.754 176.300 -0.007 0.000 1.242 356 R CA 0.328 56.414 56.100 -0.023 0.000 1.105 356 R CB -0.811 29.602 30.300 0.188 0.000 1.116 356 R HN 1.309 nan 8.270 nan 0.000 0.523 357 M N -0.154 119.418 119.600 -0.046 0.000 2.618 357 M HA 0.213 4.693 4.480 -0.000 0.000 0.240 357 M C 0.843 177.155 176.300 0.019 0.000 1.123 357 M CA 0.523 55.814 55.300 -0.015 0.000 1.060 357 M CB 0.221 32.805 32.600 -0.026 0.000 1.535 357 M HN 0.294 nan 8.290 nan 0.000 0.507 358 R N 2.318 122.846 120.500 0.047 0.000 2.298 358 R HA 0.518 4.858 4.340 -0.000 0.000 0.310 358 R C 0.282 176.636 176.300 0.089 0.000 1.068 358 R CA 1.173 57.321 56.100 0.081 0.000 0.957 358 R CB -0.339 30.034 30.300 0.121 0.000 1.003 358 R HN 0.692 nan 8.270 nan 0.000 0.454 359 G N 2.200 111.052 108.800 0.087 0.000 2.828 359 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.463 359 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.463 359 G C -0.137 174.786 174.900 0.038 0.000 1.394 359 G CA -0.096 45.060 45.100 0.094 0.000 0.862 359 G HN 0.774 nan 8.290 nan 0.000 0.540 360 A N -0.240 122.578 122.820 -0.003 0.000 2.585 360 A HA 0.624 4.944 4.320 -0.000 0.000 0.266 360 A C 0.362 177.660 177.584 -0.477 0.000 1.178 360 A CA 0.845 52.764 52.037 -0.196 0.000 0.966 360 A CB 0.444 19.318 19.000 -0.210 0.000 1.170 360 A HN 1.240 nan 8.150 nan 0.000 0.558 361 H N -1.022 118.110 119.070 0.102 0.000 3.137 361 H HA 0.471 5.026 4.556 -0.000 0.000 0.336 361 H C -1.198 174.198 175.328 0.113 0.000 1.055 361 H CA -0.092 56.017 56.048 0.103 0.000 1.349 361 H CB 1.391 31.214 29.762 0.101 0.000 1.939 361 H HN 0.116 nan 8.280 nan 0.000 0.487 362 T N 1.836 116.524 114.554 0.222 0.000 2.671 362 T HA 0.363 4.713 4.350 -0.000 0.000 0.300 362 T C -0.937 173.843 174.700 0.133 0.000 1.238 362 T CA -0.957 61.239 62.100 0.160 0.000 1.020 362 T CB 2.291 71.239 68.868 0.133 0.000 1.503 362 T HN 0.788 nan 8.240 nan 0.000 0.497 363 N N -0.567 118.170 118.700 0.062 0.000 2.329 363 N HA 0.413 5.153 4.740 -0.000 0.000 0.282 363 N C -0.011 175.489 175.510 -0.016 0.000 1.198 363 N CA -0.659 52.416 53.050 0.042 0.000 0.790 363 N CB 0.813 39.288 38.487 -0.019 0.000 1.579 363 N HN 0.295 nan 8.380 nan 0.000 0.475 364 D N 0.360 120.821 120.400 0.101 0.000 2.268 364 D HA -0.219 4.421 4.640 -0.000 0.000 0.189 364 D C 1.685 177.894 176.300 -0.151 0.000 1.010 364 D CA 1.951 56.071 54.000 0.202 0.000 0.862 364 D CB -0.466 40.501 40.800 0.279 0.000 0.943 364 D HN 0.404 nan 8.370 nan 0.000 0.451 365 V N 0.953 120.631 119.914 -0.393 0.000 2.214 365 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 365 V C 2.493 178.034 176.094 -0.921 0.000 1.051 365 V CA 2.181 64.007 62.300 -0.790 0.000 1.003 365 V CB -0.664 30.312 31.823 -1.412 0.000 0.635 365 V HN 0.199 nan 8.190 nan 0.000 0.447 366 K N -0.471 119.364 120.400 -0.942 0.000 2.015 366 K HA -0.295 4.025 4.320 -0.000 0.000 0.216 366 K C 2.389 178.704 176.600 -0.475 0.000 1.052 366 K CA 2.330 58.231 56.287 -0.644 0.000 0.937 366 K CB -0.294 32.014 32.500 -0.321 0.000 0.719 366 K HN 0.582 nan 8.250 nan 0.000 0.446 367 Q N 0.284 119.850 119.800 -0.390 0.000 2.029 367 Q HA -0.240 4.100 4.340 -0.000 0.000 0.209 367 Q C 2.197 177.637 176.000 -0.934 0.000 0.999 367 Q CA 1.900 57.423 55.803 -0.466 0.000 0.857 367 Q CB -0.399 28.176 28.738 -0.272 0.000 0.926 367 Q HN 0.311 nan 8.270 nan 0.000 0.415 368 L N 0.761 121.324 121.223 -1.100 0.000 2.263 368 L HA -0.185 4.154 4.340 -0.000 0.000 0.216 368 L C 1.837 178.326 176.870 -0.634 0.000 1.111 368 L CA 1.922 56.114 54.840 -1.079 0.000 0.773 368 L CB -0.460 41.176 42.059 -0.705 0.000 0.906 368 L HN 0.172 nan 8.230 nan 0.000 0.439 369 T N -1.503 112.754 114.554 -0.495 0.000 2.901 369 T HA -0.061 4.289 4.350 -0.000 0.000 0.252 369 T C 1.643 176.101 174.700 -0.404 0.000 1.035 369 T CA 1.022 62.939 62.100 -0.305 0.000 1.142 369 T CB -0.105 68.676 68.868 -0.146 0.000 0.869 369 T HN 0.312 nan 8.240 nan 0.000 0.442 370 E N 1.448 121.366 120.200 -0.470 0.000 2.114 370 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 370 E C 2.336 178.505 176.600 -0.718 0.000 1.008 370 E CA 1.313 57.422 56.400 -0.485 0.000 0.810 370 E CB -0.293 29.134 29.700 -0.456 0.000 0.739 370 E HN 0.491 nan 8.360 nan 0.000 0.456 371 A N 0.323 122.524 122.820 -1.031 0.000 1.835 371 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 371 A C 2.475 179.797 177.584 -0.438 0.000 1.199 371 A CA 1.625 53.199 52.037 -0.771 0.000 0.615 371 A CB -0.986 17.626 19.000 -0.647 0.000 0.838 371 A HN 0.145 nan 8.150 nan 0.000 0.444 372 V N 0.491 120.115 119.914 -0.483 0.000 2.363 372 V HA -0.345 3.775 4.120 -0.000 0.000 0.254 372 V C 2.782 178.563 176.094 -0.522 0.000 1.074 372 V CA 2.639 64.548 62.300 -0.651 0.000 1.069 372 V CB -0.920 30.404 31.823 -0.832 0.000 0.659 372 V HN 0.771 nan 8.190 nan 0.000 0.455 373 Q N 1.117 120.692 119.800 -0.376 0.000 1.965 373 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 373 Q C 2.291 178.215 176.000 -0.126 0.000 0.981 373 Q CA 2.296 57.964 55.803 -0.225 0.000 0.834 373 Q CB -0.647 27.987 28.738 -0.173 0.000 0.900 373 Q HN 0.579 nan 8.270 nan 0.000 0.426 374 K N -0.235 120.099 120.400 -0.110 0.000 2.089 374 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 374 K C 2.042 178.636 176.600 -0.010 0.000 1.048 374 K CA 1.838 58.127 56.287 0.004 0.000 0.926 374 K CB -0.376 32.199 32.500 0.125 0.000 0.714 374 K HN 0.375 nan 8.250 nan 0.000 0.448 375 I N 0.760 121.268 120.570 -0.103 0.000 2.286 375 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 375 I C 2.127 178.270 176.117 0.044 0.000 1.115 375 I CA 1.434 62.651 61.300 -0.139 0.000 1.392 375 I CB -0.252 37.621 38.000 -0.213 0.000 1.065 375 I HN 0.228 nan 8.210 nan 0.000 0.418 376 T N -0.607 114.002 114.554 0.091 0.000 2.770 376 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 376 T C 1.937 176.671 174.700 0.056 0.000 1.039 376 T CA 1.822 63.991 62.100 0.115 0.000 1.142 376 T CB -0.449 68.459 68.868 0.067 0.000 0.868 376 T HN 0.307 nan 8.240 nan 0.000 0.435 377 T N 1.886 116.456 114.554 0.026 0.000 2.684 377 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 377 T C 1.881 176.582 174.700 0.002 0.000 1.036 377 T CA 1.670 63.781 62.100 0.019 0.000 1.148 377 T CB -0.270 68.609 68.868 0.019 0.000 0.863 377 T HN 0.608 nan 8.240 nan 0.000 0.436 378 E N 0.806 121.005 120.200 -0.002 0.000 2.000 378 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 378 E C 2.433 178.976 176.600 -0.096 0.000 1.011 378 E CA 1.534 57.904 56.400 -0.050 0.000 0.836 378 E CB -0.457 29.234 29.700 -0.015 0.000 0.778 378 E HN 0.297 nan 8.360 nan 0.000 0.462 379 S N -0.173 115.531 115.700 0.007 0.000 2.399 379 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 379 S C 1.997 176.657 174.600 0.100 0.000 1.063 379 S CA 1.705 60.013 58.200 0.180 0.000 1.070 379 S CB -0.509 62.845 63.200 0.257 0.000 0.904 379 S HN 0.400 nan 8.310 nan 0.000 0.456 380 I N 0.695 121.290 120.570 0.042 0.000 2.226 380 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 380 I C 2.155 178.254 176.117 -0.030 0.000 1.100 380 I CA 1.221 62.536 61.300 0.026 0.000 1.374 380 I CB -0.323 37.693 38.000 0.026 0.000 1.057 380 I HN 0.263 nan 8.210 nan 0.000 0.413 381 V N 0.670 120.532 119.914 -0.086 0.000 2.283 381 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 381 V C 2.339 178.289 176.094 -0.240 0.000 1.039 381 V CA 1.214 63.437 62.300 -0.127 0.000 1.016 381 V CB -0.509 31.241 31.823 -0.121 0.000 0.650 381 V HN 0.239 nan 8.190 nan 0.000 0.449 382 I N -1.183 119.130 120.570 -0.428 0.000 2.286 382 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 382 I C 1.982 177.604 176.117 -0.826 0.000 1.115 382 I CA 1.811 62.617 61.300 -0.822 0.000 1.392 382 I CB -0.883 36.209 38.000 -1.512 0.000 1.065 382 I HN 0.485 nan 8.210 nan 0.000 0.418 383 W N -0.197 120.950 121.300 -0.255 0.000 2.555 383 W HA 0.391 5.051 4.660 -0.000 0.000 0.324 383 W C 1.330 177.733 176.519 -0.192 0.000 0.973 383 W CA 0.560 57.699 57.345 -0.343 0.000 1.481 383 W CB -0.277 28.871 29.460 -0.520 0.000 1.064 383 W HN 0.321 nan 8.180 nan 0.000 0.543 384 G N 2.934 111.772 108.800 0.063 0.000 2.176 384 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.252 384 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.252 384 G C 0.100 175.046 174.900 0.076 0.000 1.024 384 G CA 1.112 46.246 45.100 0.057 0.000 0.755 384 G HN 0.361 nan 8.290 nan 0.000 0.507 385 K N -2.269 118.185 120.400 0.089 0.000 2.772 385 K HA 0.584 4.904 4.320 -0.000 0.000 0.292 385 K C -0.674 175.966 176.600 0.066 0.000 1.049 385 K CA -0.342 55.987 56.287 0.070 0.000 0.846 385 K CB 0.316 32.856 32.500 0.067 0.000 1.514 385 K HN 0.814 nan 8.250 nan 0.000 0.373 386 T N 0.012 114.592 114.554 0.043 0.000 2.824 386 T HA 0.547 4.897 4.350 -0.000 0.000 0.280 386 T C -1.924 172.740 174.700 -0.061 0.000 0.995 386 T CA -1.462 60.658 62.100 0.033 0.000 1.009 386 T CB 1.153 70.073 68.868 0.085 0.000 0.955 386 T HN 0.518 nan 8.240 nan 0.000 0.452 387 P HA 0.218 nan 4.420 nan 0.000 0.272 387 P C -0.832 176.240 177.300 -0.380 0.000 1.254 387 P CA -0.516 62.338 63.100 -0.411 0.000 0.795 387 P CB 0.674 31.960 31.700 -0.689 0.000 1.022 388 K N 0.802 120.963 120.400 -0.397 0.000 2.281 388 K HA 0.344 4.664 4.320 -0.000 0.000 0.272 388 K C -0.336 176.064 176.600 -0.334 0.000 1.048 388 K CA -0.371 55.771 56.287 -0.241 0.000 0.898 388 K CB 0.240 32.627 32.500 -0.188 0.000 1.128 388 K HN 0.314 nan 8.250 nan 0.000 0.460 389 F N 2.423 122.290 119.950 -0.139 0.000 2.399 389 F HA 0.199 4.726 4.527 -0.000 0.000 0.342 389 F C 0.704 176.459 175.800 -0.075 0.000 1.106 389 F CA -0.022 57.908 58.000 -0.116 0.000 1.196 389 F CB 0.824 39.755 39.000 -0.114 0.000 1.163 389 F HN 0.151 nan 8.300 nan 0.000 0.547 390 K N 5.030 125.479 120.400 0.083 0.000 2.426 390 K HA 0.743 5.063 4.320 -0.000 0.000 0.254 390 K C -1.421 175.265 176.600 0.142 0.000 0.936 390 K CA -0.647 55.664 56.287 0.040 0.000 0.801 390 K CB 2.191 34.673 32.500 -0.029 0.000 1.139 390 K HN 0.484 nan 8.250 nan 0.000 0.424 391 L N 2.215 123.558 121.223 0.201 0.000 2.424 391 L HA 0.493 4.833 4.340 -0.000 0.000 0.258 391 L C -2.415 174.648 176.870 0.321 0.000 0.995 391 L CA -2.280 52.721 54.840 0.268 0.000 0.821 391 L CB 2.364 44.596 42.059 0.289 0.000 1.383 391 L HN 0.434 nan 8.230 nan 0.000 0.410 392 P HA 0.224 nan 4.420 nan 0.000 0.226 392 P C -0.690 176.833 177.300 0.373 0.000 1.783 392 P CA 0.447 63.755 63.100 0.348 0.000 0.980 392 P CB 0.271 32.124 31.700 0.255 0.000 1.967 393 I N -0.120 120.700 120.570 0.418 0.000 2.710 393 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 393 I C -1.001 175.147 176.117 0.052 0.000 1.318 393 I CA -0.735 60.684 61.300 0.197 0.000 1.045 393 I CB 2.533 40.642 38.000 0.182 0.000 1.307 393 I HN -0.088 nan 8.210 nan 0.000 0.424 394 Q N 6.297 125.892 119.800 -0.341 0.000 2.327 394 Q HA 0.150 4.490 4.340 -0.000 0.000 0.254 394 Q C 0.666 176.716 176.000 0.083 0.000 0.952 394 Q CA -0.346 55.183 55.803 -0.458 0.000 0.884 394 Q CB 1.941 30.317 28.738 -0.602 0.000 1.224 394 Q HN 0.602 nan 8.270 nan 0.000 0.422 395 K N 2.639 123.244 120.400 0.342 0.000 2.032 395 K HA -0.305 4.015 4.320 -0.000 0.000 0.218 395 K C 1.188 177.951 176.600 0.270 0.000 1.054 395 K CA 2.435 59.035 56.287 0.522 0.000 0.941 395 K CB 0.097 32.943 32.500 0.576 0.000 0.720 395 K HN 0.592 nan 8.250 nan 0.000 0.449 396 E N -0.116 120.171 120.200 0.145 0.000 2.169 396 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 396 E C 1.926 178.565 176.600 0.066 0.000 1.016 396 E CA 2.341 58.789 56.400 0.081 0.000 0.817 396 E CB -0.447 29.264 29.700 0.019 0.000 0.736 396 E HN 0.475 nan 8.360 nan 0.000 0.462 397 T N 0.062 114.648 114.554 0.053 0.000 2.812 397 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 397 T C 1.285 176.053 174.700 0.113 0.000 1.042 397 T CA 1.153 63.271 62.100 0.030 0.000 1.140 397 T CB -0.287 68.569 68.868 -0.021 0.000 0.870 397 T HN 0.419 nan 8.240 nan 0.000 0.445 398 W N 2.299 123.578 121.300 -0.034 0.000 2.494 398 W HA 0.162 4.822 4.660 -0.000 0.000 0.286 398 W C 1.840 178.444 176.519 0.142 0.000 1.218 398 W CA 0.539 57.889 57.345 0.008 0.000 1.313 398 W CB -0.306 29.064 29.460 -0.151 0.000 1.105 398 W HN 0.244 nan 8.180 nan 0.000 0.561 399 E N -0.027 120.479 120.200 0.511 0.000 2.153 399 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 399 E C 1.608 178.045 176.600 -0.271 0.000 0.988 399 E CA 1.537 58.123 56.400 0.310 0.000 0.811 399 E CB -0.292 29.617 29.700 0.349 0.000 0.746 399 E HN 0.027 nan 8.360 nan 0.000 0.466 400 T N -0.813 113.673 114.554 -0.114 0.000 3.160 400 T HA -0.053 4.297 4.350 -0.000 0.000 0.257 400 T C 0.704 175.276 174.700 -0.215 0.000 1.147 400 T CA 0.539 62.526 62.100 -0.190 0.000 1.064 400 T CB -0.143 68.676 68.868 -0.082 0.000 0.949 400 T HN 0.380 nan 8.240 nan 0.000 0.526 401 W N -0.108 120.934 121.300 -0.429 0.000 3.127 401 W HA 0.227 4.887 4.660 -0.000 0.000 0.248 401 W C 1.879 178.100 176.519 -0.496 0.000 1.058 401 W CA -0.033 57.042 57.345 -0.450 0.000 1.783 401 W CB -0.476 28.703 29.460 -0.470 0.000 1.030 401 W HN 0.362 nan 8.180 nan 0.000 0.653 402 W N 1.083 122.062 121.300 -0.536 0.000 2.424 402 W HA -0.095 4.565 4.660 -0.000 0.000 0.264 402 W C 0.849 177.087 176.519 -0.468 0.000 1.229 402 W CA 1.530 58.455 57.345 -0.700 0.000 1.208 402 W CB -1.487 27.707 29.460 -0.444 0.000 1.127 402 W HN -0.170 nan 8.180 nan 0.000 0.588 403 T N 1.622 115.539 114.554 -1.061 0.000 2.852 403 T HA -0.128 4.222 4.350 -0.000 0.000 0.256 403 T C 1.476 175.850 174.700 -0.542 0.000 1.038 403 T CA 1.840 63.327 62.100 -1.023 0.000 1.141 403 T CB -0.189 67.989 68.868 -1.149 0.000 0.869 403 T HN 0.209 nan 8.240 nan 0.000 0.439 404 E N -0.142 119.749 120.200 -0.516 0.000 2.285 404 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 404 E C 0.066 176.438 176.600 -0.381 0.000 0.997 404 E CA 0.020 56.203 56.400 -0.360 0.000 0.845 404 E CB -0.016 29.510 29.700 -0.289 0.000 0.782 404 E HN 0.407 nan 8.360 nan 0.000 0.491 405 Y N 2.289 122.077 120.300 -0.854 0.000 2.632 405 Y HA -0.157 4.393 4.550 -0.000 0.000 0.329 405 Y C 0.885 176.403 175.900 -0.638 0.000 1.174 405 Y CA -0.902 56.584 58.100 -1.023 0.000 1.469 405 Y CB 0.224 37.653 38.460 -1.717 0.000 1.242 405 Y HN 0.164 nan 8.280 nan 0.000 0.540 406 W N 4.416 125.354 121.300 -0.604 0.000 2.961 406 W HA 0.072 4.732 4.660 -0.000 0.000 0.240 406 W C -0.499 175.688 176.519 -0.554 0.000 1.305 406 W CA -0.137 56.918 57.345 -0.483 0.000 1.465 406 W CB -0.166 29.076 29.460 -0.363 0.000 1.135 406 W HN 0.524 nan 8.180 nan 0.000 0.688 407 Q N 1.093 120.191 119.800 -1.169 0.000 2.306 407 Q HA 0.558 4.898 4.340 -0.000 0.000 0.265 407 Q C -0.147 175.704 176.000 -0.248 0.000 1.022 407 Q CA -0.551 54.872 55.803 -0.634 0.000 0.853 407 Q CB 2.293 30.268 28.738 -1.272 0.000 1.327 407 Q HN 0.049 nan 8.270 nan 0.000 0.449 408 A N 1.527 124.322 122.820 -0.041 0.000 2.406 408 A HA 0.547 4.867 4.320 -0.000 0.000 0.243 408 A C -0.695 176.923 177.584 0.058 0.000 1.082 408 A CA 0.240 52.290 52.037 0.022 0.000 0.786 408 A CB 0.414 19.434 19.000 0.034 0.000 1.029 408 A HN 0.718 nan 8.150 nan 0.000 0.495 409 T N 0.662 115.267 114.554 0.085 0.000 3.291 409 T HA 0.416 4.766 4.350 -0.000 0.000 0.344 409 T C -1.237 173.583 174.700 0.201 0.000 1.293 409 T CA -0.273 61.904 62.100 0.129 0.000 1.108 409 T CB 0.743 69.688 68.868 0.128 0.000 1.231 409 T HN 0.839 nan 8.240 nan 0.000 0.474 410 W N 5.489 126.756 121.300 -0.056 0.000 2.631 410 W HA 0.655 5.315 4.660 -0.000 0.000 0.321 410 W C -1.996 174.459 176.519 -0.107 0.000 1.004 410 W CA -1.014 56.267 57.345 -0.107 0.000 1.291 410 W CB 0.868 30.266 29.460 -0.104 0.000 1.300 410 W HN 0.675 nan 8.180 nan 0.000 0.422 411 I N 8.816 128.862 120.570 -0.872 0.000 2.359 411 I HA 0.338 4.507 4.170 -0.000 0.000 0.294 411 I C -1.874 173.440 176.117 -1.339 0.000 0.987 411 I CA -2.262 58.456 61.300 -0.971 0.000 1.225 411 I CB 1.865 39.302 38.000 -0.938 0.000 1.366 411 I HN 0.195 nan 8.210 nan 0.000 0.466 412 P HA 0.040 nan 4.420 nan 0.000 0.268 412 P C -0.924 176.128 177.300 -0.413 0.000 1.205 412 P CA -0.152 62.622 63.100 -0.544 0.000 0.771 412 P CB 0.426 32.042 31.700 -0.139 0.000 0.858 413 E N 2.114 122.158 120.200 -0.259 0.000 2.653 413 E HA -0.053 4.297 4.350 -0.000 0.000 0.264 413 E C -0.283 176.399 176.600 0.137 0.000 0.949 413 E CA 0.378 56.761 56.400 -0.028 0.000 0.953 413 E CB 0.300 30.032 29.700 0.054 0.000 0.925 413 E HN 0.472 nan 8.360 nan 0.000 0.475 414 W N 2.896 124.047 121.300 -0.249 0.000 3.052 414 W HA 0.573 5.233 4.660 -0.000 0.000 0.366 414 W C -0.729 175.731 176.519 -0.098 0.000 1.438 414 W CA -0.926 56.317 57.345 -0.170 0.000 1.266 414 W CB 0.796 30.084 29.460 -0.286 0.000 1.720 414 W HN 0.377 nan 8.180 nan 0.000 0.657 415 E N 1.770 121.653 120.200 -0.529 0.000 2.646 415 E HA 0.113 4.463 4.350 -0.000 0.000 0.336 415 E C -1.490 174.881 176.600 -0.381 0.000 1.027 415 E CA -0.867 55.194 56.400 -0.565 0.000 0.765 415 E CB 0.513 30.057 29.700 -0.261 0.000 1.545 415 E HN 0.413 nan 8.360 nan 0.000 0.382 416 F N 3.943 123.491 119.950 -0.669 0.000 2.395 416 F HA -0.055 4.472 4.527 -0.000 0.000 0.421 416 F C -0.969 174.739 175.800 -0.154 0.000 0.942 416 F CA 0.729 58.551 58.000 -0.295 0.000 1.107 416 F CB 0.279 39.144 39.000 -0.225 0.000 0.895 416 F HN 0.139 nan 8.300 nan 0.000 0.522 417 V N 8.151 127.885 119.914 -0.300 0.000 2.350 417 V HA 0.128 4.247 4.120 -0.000 0.000 0.285 417 V C 0.613 176.348 176.094 -0.598 0.000 1.014 417 V CA -0.899 61.158 62.300 -0.405 0.000 0.831 417 V CB 1.239 32.991 31.823 -0.119 0.000 1.000 417 V HN 0.732 nan 8.190 nan 0.000 0.433 418 N N 3.484 121.689 118.700 -0.825 0.000 2.906 418 N HA 0.007 4.747 4.740 -0.000 0.000 0.282 418 N C 0.200 175.605 175.510 -0.174 0.000 1.293 418 N CA 0.022 52.744 53.050 -0.548 0.000 1.059 418 N CB 0.244 38.439 38.487 -0.486 0.000 1.388 418 N HN 0.596 nan 8.380 nan 0.000 0.533 419 T N 2.610 117.104 114.554 -0.099 0.000 3.316 419 T HA 0.253 4.603 4.350 -0.000 0.000 0.341 419 T C -2.319 172.398 174.700 0.028 0.000 1.397 419 T CA -1.080 61.005 62.100 -0.025 0.000 1.085 419 T CB 0.793 69.652 68.868 -0.015 0.000 1.160 419 T HN 0.240 nan 8.240 nan 0.000 0.694 420 P HA 0.051 nan 4.420 nan 0.000 0.268 420 P C -2.113 175.214 177.300 0.046 0.000 1.189 420 P CA -0.901 62.234 63.100 0.058 0.000 0.771 420 P CB -0.163 31.569 31.700 0.053 0.000 0.822 421 P HA 0.091 nan 4.420 nan 0.000 0.268 421 P C -0.747 176.608 177.300 0.092 0.000 1.205 421 P CA 0.379 63.517 63.100 0.064 0.000 0.771 421 P CB 0.631 32.356 31.700 0.042 0.000 0.858 422 L N 2.542 123.829 121.223 0.106 0.000 2.307 422 L HA 0.280 4.620 4.340 -0.000 0.000 0.282 422 L C 0.242 177.177 176.870 0.108 0.000 1.051 422 L CA -1.267 53.651 54.840 0.130 0.000 0.804 422 L CB 1.795 43.928 42.059 0.122 0.000 1.197 422 L HN 0.132 nan 8.230 nan 0.000 0.431 423 V N 4.614 124.618 119.914 0.149 0.000 2.439 423 V HA 0.185 4.305 4.120 -0.000 0.000 0.271 423 V C 0.381 176.479 176.094 0.007 0.000 1.040 423 V CA -0.139 62.250 62.300 0.147 0.000 1.002 423 V CB 0.341 32.307 31.823 0.239 0.000 1.000 423 V HN 0.820 nan 8.190 nan 0.000 0.477 424 K N 5.258 125.595 120.400 -0.106 0.000 2.250 424 K HA 0.756 5.075 4.320 -0.000 0.000 0.261 424 K C -1.467 174.902 176.600 -0.386 0.000 1.047 424 K CA -1.104 55.022 56.287 -0.268 0.000 0.884 424 K CB 1.898 34.162 32.500 -0.394 0.000 1.476 424 K HN 0.333 nan 8.250 nan 0.000 0.445 425 L N 0.370 121.338 121.223 -0.425 0.000 2.331 425 L HA 0.413 4.753 4.340 -0.000 0.000 0.275 425 L C -0.179 176.415 176.870 -0.460 0.000 1.022 425 L CA -0.782 53.855 54.840 -0.339 0.000 0.812 425 L CB 1.288 43.238 42.059 -0.181 0.000 1.257 425 L HN 0.764 nan 8.230 nan 0.000 0.435 426 W N 0.695 122.034 121.300 0.065 0.000 2.993 426 W HA 0.162 4.822 4.660 -0.000 0.000 0.290 426 W C -0.311 176.381 176.519 0.288 0.000 1.203 426 W CA -0.275 57.178 57.345 0.180 0.000 1.582 426 W CB 0.392 30.000 29.460 0.247 0.000 1.033 426 W HN 0.441 nan 8.180 nan 0.000 0.594 427 Y N -1.055 119.364 120.300 0.198 0.000 2.573 427 Y HA 0.622 5.172 4.550 -0.000 0.000 0.328 427 Y C -1.119 174.840 175.900 0.098 0.000 1.170 427 Y CA -1.894 56.288 58.100 0.137 0.000 1.078 427 Y CB 0.662 39.212 38.460 0.150 0.000 1.341 427 Y HN -0.204 nan 8.280 nan 0.000 0.459 428 Q N 2.163 122.044 119.800 0.134 0.000 2.413 428 Q HA 0.670 5.010 4.340 -0.000 0.000 0.276 428 Q C -2.047 174.044 176.000 0.152 0.000 1.099 428 Q CA -0.788 55.033 55.803 0.030 0.000 0.814 428 Q CB 2.346 31.096 28.738 0.019 0.000 1.379 428 Q HN 0.885 nan 8.270 nan 0.000 0.436 429 L N 3.213 124.512 121.223 0.128 0.000 2.265 429 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 429 L C -0.203 176.754 176.870 0.144 0.000 1.033 429 L CA -0.872 54.070 54.840 0.170 0.000 0.814 429 L CB 1.298 43.452 42.059 0.159 0.000 1.203 429 L HN 0.584 nan 8.230 nan 0.000 0.423 430 E N 3.117 123.411 120.200 0.157 0.000 2.757 430 E HA -0.148 4.202 4.350 -0.000 0.000 0.238 430 E C 0.624 177.337 176.600 0.188 0.000 1.057 430 E CA 0.194 56.676 56.400 0.137 0.000 0.952 430 E CB 0.269 30.040 29.700 0.119 0.000 0.934 430 E HN 0.249 nan 8.360 nan 0.000 0.518 431 K N 2.459 122.927 120.400 0.114 0.000 2.633 431 K HA -0.089 4.231 4.320 -0.000 0.000 0.193 431 K C -0.179 176.472 176.600 0.086 0.000 1.033 431 K CA 0.651 57.011 56.287 0.122 0.000 0.980 431 K CB 0.174 32.706 32.500 0.054 0.000 0.800 431 K HN 0.316 nan 8.250 nan 0.000 0.493 432 E N 0.111 120.285 120.200 -0.044 0.000 2.352 432 E HA 0.218 4.568 4.350 -0.000 0.000 0.280 432 E C -2.764 173.391 176.600 -0.740 0.000 0.930 432 E CA -2.172 54.028 56.400 -0.334 0.000 0.765 432 E CB 1.669 31.261 29.700 -0.181 0.000 1.219 432 E HN -0.113 nan 8.360 nan 0.000 0.434 433 P HA 0.070 nan 4.420 nan 0.000 0.265 433 P C 0.060 177.126 177.300 -0.390 0.000 1.187 433 P CA 0.372 62.859 63.100 -1.022 0.000 0.766 433 P CB 0.668 31.986 31.700 -0.635 0.000 0.820 434 I N 1.684 122.135 120.570 -0.198 0.000 2.677 434 I HA 0.293 4.463 4.170 -0.000 0.000 0.305 434 I C 0.473 176.541 176.117 -0.082 0.000 0.988 434 I CA -1.095 60.145 61.300 -0.098 0.000 1.260 434 I CB 1.420 39.398 38.000 -0.036 0.000 1.410 434 I HN 0.049 nan 8.210 nan 0.000 0.523 435 V N 2.429 122.303 119.914 -0.067 0.000 2.667 435 V HA 0.547 4.667 4.120 -0.000 0.000 0.308 435 V C 0.933 176.995 176.094 -0.053 0.000 1.048 435 V CA 0.041 62.306 62.300 -0.057 0.000 0.928 435 V CB 1.062 32.855 31.823 -0.050 0.000 1.004 435 V HN 1.114 nan 8.190 nan 0.000 0.444 436 G N 2.792 111.560 108.800 -0.054 0.000 2.220 436 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.269 436 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.269 436 G C 0.474 175.328 174.900 -0.076 0.000 0.977 436 G CA 0.374 45.439 45.100 -0.057 0.000 0.634 436 G HN 1.615 nan 8.290 nan 0.000 0.539 437 A N 0.325 123.096 122.820 -0.080 0.000 2.362 437 A HA 0.614 4.934 4.320 -0.000 0.000 0.276 437 A C 0.504 177.995 177.584 -0.154 0.000 1.153 437 A CA 0.510 52.486 52.037 -0.102 0.000 0.813 437 A CB 0.368 19.326 19.000 -0.070 0.000 1.081 437 A HN 0.631 nan 8.150 nan 0.000 0.507 438 E N 1.589 121.645 120.200 -0.241 0.000 2.437 438 E HA 0.159 4.509 4.350 -0.000 0.000 0.263 438 E C -0.590 175.773 176.600 -0.395 0.000 1.030 438 E CA 0.343 56.530 56.400 -0.355 0.000 0.934 438 E CB 0.442 29.808 29.700 -0.557 0.000 0.943 438 E HN 0.560 nan 8.360 nan 0.000 0.444 439 T N 4.730 119.093 114.554 -0.319 0.000 2.772 439 T HA 0.311 4.661 4.350 -0.000 0.000 0.288 439 T C -0.726 173.851 174.700 -0.205 0.000 0.994 439 T CA -0.330 61.621 62.100 -0.249 0.000 0.951 439 T CB 0.115 68.892 68.868 -0.152 0.000 0.933 439 T HN 0.285 nan 8.240 nan 0.000 0.447 440 F N 2.936 122.759 119.950 -0.211 0.000 2.361 440 F HA 0.366 4.893 4.527 -0.000 0.000 0.364 440 F C -0.214 175.472 175.800 -0.190 0.000 1.120 440 F CA -1.145 56.750 58.000 -0.175 0.000 1.102 440 F CB 0.860 39.762 39.000 -0.164 0.000 1.183 440 F HN 0.542 nan 8.300 nan 0.000 0.476 441 Y N 3.905 124.333 120.300 0.213 0.000 2.425 441 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 441 Y C 0.279 176.250 175.900 0.119 0.000 0.976 441 Y CA -0.788 57.383 58.100 0.119 0.000 1.190 441 Y CB 0.835 39.339 38.460 0.073 0.000 1.136 441 Y HN 0.323 nan 8.280 nan 0.000 0.517 442 V N -0.022 120.000 119.914 0.180 0.000 2.975 442 V HA 0.813 4.933 4.120 -0.000 0.000 0.318 442 V C -0.676 175.468 176.094 0.083 0.000 1.077 442 V CA -0.483 61.892 62.300 0.125 0.000 1.000 442 V CB 2.207 34.081 31.823 0.084 0.000 1.066 442 V HN 0.616 nan 8.190 nan 0.000 0.452 443 D N -0.382 120.047 120.400 0.049 0.000 2.742 443 D HA 0.638 5.278 4.640 -0.000 0.000 0.262 443 D C -0.732 175.577 176.300 0.015 0.000 1.240 443 D CA 0.465 54.484 54.000 0.032 0.000 0.752 443 D CB 1.908 42.717 40.800 0.016 0.000 1.290 443 D HN 1.314 nan 8.370 nan 0.000 0.420 444 G N 0.159 108.973 108.800 0.024 0.000 2.718 444 G HA2 0.641 4.601 3.960 -0.000 0.000 0.302 444 G HA3 0.641 4.601 3.960 -0.000 0.000 0.302 444 G C -0.987 173.932 174.900 0.031 0.000 2.393 444 G CA 0.195 45.307 45.100 0.020 0.000 0.854 444 G HN 0.473 nan 8.290 nan 0.000 0.388 445 A N 0.796 123.631 122.820 0.025 0.000 2.294 445 A HA 1.052 5.372 4.320 -0.000 0.000 0.330 445 A C 0.408 178.008 177.584 0.026 0.000 1.133 445 A CA 0.066 52.124 52.037 0.034 0.000 0.836 445 A CB 1.676 20.703 19.000 0.044 0.000 1.190 445 A HN 2.135 nan 8.150 nan 0.000 0.492 446 A N 0.468 123.304 122.820 0.027 0.000 2.530 446 A HA 0.707 5.027 4.320 -0.000 0.000 0.288 446 A C -0.654 176.942 177.584 0.019 0.000 1.172 446 A CA -0.724 51.324 52.037 0.019 0.000 0.733 446 A CB 0.939 19.947 19.000 0.014 0.000 1.320 446 A HN 0.845 nan 8.150 nan 0.000 0.419 447 N N -0.002 118.706 118.700 0.013 0.000 2.426 447 N HA 0.273 5.013 4.740 -0.000 0.000 0.257 447 N C 0.860 176.374 175.510 0.007 0.000 1.002 447 N CA -0.556 52.500 53.050 0.011 0.000 0.942 447 N CB 0.719 39.211 38.487 0.008 0.000 1.112 447 N HN 0.473 nan 8.380 nan 0.000 0.499 448 R N 1.716 122.220 120.500 0.006 0.000 2.332 448 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 448 R C 0.355 176.654 176.300 -0.001 0.000 1.160 448 R CA 0.905 57.005 56.100 0.001 0.000 1.020 448 R CB -0.274 30.025 30.300 -0.000 0.000 0.859 448 R HN 0.730 nan 8.270 nan 0.000 0.478 449 E N 0.330 120.530 120.200 0.000 0.000 2.569 449 E HA 0.083 4.433 4.350 -0.000 0.000 0.205 449 E C -0.631 175.970 176.600 0.000 0.000 1.006 449 E CA -0.106 56.294 56.400 -0.000 0.000 0.985 449 E CB 0.527 30.227 29.700 -0.000 0.000 1.060 449 E HN 0.007 nan 8.360 nan 0.000 0.460 450 T N -1.433 113.122 114.554 0.001 0.000 2.676 450 T HA 0.488 4.838 4.350 -0.000 0.000 0.269 450 T C 0.818 175.518 174.700 0.000 0.000 0.952 450 T CA 0.011 62.111 62.100 0.001 0.000 1.040 450 T CB 1.438 70.308 68.868 0.002 0.000 1.352 450 T HN -0.014 nan 8.240 nan 0.000 0.554 451 K N -0.382 120.018 120.400 0.001 0.000 2.403 451 K HA 0.554 4.874 4.320 -0.000 0.000 0.199 451 K C 0.680 177.280 176.600 0.001 0.000 1.199 451 K CA 0.370 56.657 56.287 0.000 0.000 0.924 451 K CB -0.324 32.176 32.500 0.000 0.000 1.137 451 K HN 0.525 nan 8.250 nan 0.000 0.510 452 L N 0.472 121.696 121.223 0.001 0.000 2.322 452 L HA 0.774 5.114 4.340 -0.000 0.000 0.279 452 L C 0.484 177.356 176.870 0.003 0.000 1.036 452 L CA -1.096 53.745 54.840 0.001 0.000 0.807 452 L CB 1.952 44.011 42.059 0.000 0.000 1.226 452 L HN 0.404 nan 8.230 nan 0.000 0.433 453 G N 1.736 110.537 108.800 0.003 0.000 2.687 453 G HA2 0.670 4.630 3.960 -0.000 0.000 0.291 453 G HA3 0.670 4.630 3.960 -0.000 0.000 0.291 453 G C -1.886 173.014 174.900 -0.000 0.000 1.420 453 G CA -0.628 44.474 45.100 0.004 0.000 0.796 453 G HN 0.600 nan 8.290 nan 0.000 0.485 454 K N -1.369 119.030 120.400 -0.002 0.000 2.502 454 K HA 0.820 5.140 4.320 -0.000 0.000 0.257 454 K C -1.076 175.513 176.600 -0.019 0.000 0.938 454 K CA -0.939 55.340 56.287 -0.014 0.000 0.819 454 K CB 2.582 35.069 32.500 -0.021 0.000 1.333 454 K HN 0.985 nan 8.250 nan 0.000 0.434 455 A N 1.100 123.898 122.820 -0.036 0.000 2.401 455 A HA 0.935 5.254 4.320 -0.000 0.000 0.310 455 A C -0.485 177.026 177.584 -0.121 0.000 1.075 455 A CA -0.237 51.771 52.037 -0.049 0.000 0.746 455 A CB 1.854 20.842 19.000 -0.020 0.000 1.277 455 A HN 1.005 nan 8.150 nan 0.000 0.425 456 G N -0.508 108.208 108.800 -0.139 0.000 2.561 456 G HA2 0.672 4.632 3.960 -0.000 0.000 0.310 456 G HA3 0.672 4.632 3.960 -0.000 0.000 0.310 456 G C -1.369 173.412 174.900 -0.199 0.000 1.292 456 G CA 0.141 45.067 45.100 -0.290 0.000 0.811 456 G HN 1.687 nan 8.290 nan 0.000 0.482 457 Y N -1.954 118.292 120.300 -0.089 0.000 2.818 457 Y HA 0.844 5.394 4.550 -0.000 0.000 0.322 457 Y C -0.601 175.311 175.900 0.021 0.000 1.323 457 Y CA -2.115 55.947 58.100 -0.063 0.000 1.090 457 Y CB 1.236 39.553 38.460 -0.240 0.000 1.328 457 Y HN 1.262 nan 8.280 nan 0.000 0.482 458 V N -1.863 118.309 119.914 0.431 0.000 2.697 458 V HA 0.624 4.743 4.120 -0.000 0.000 0.296 458 V C -0.643 175.650 176.094 0.332 0.000 1.140 458 V CA -0.269 62.217 62.300 0.310 0.000 0.921 458 V CB 0.589 32.526 31.823 0.189 0.000 1.036 458 V HN 1.161 nan 8.190 nan 0.000 0.438 459 T N 2.344 117.051 114.554 0.256 0.000 2.910 459 T HA 0.415 4.765 4.350 -0.000 0.000 0.279 459 T C 1.331 176.108 174.700 0.128 0.000 0.989 459 T CA 0.154 62.372 62.100 0.197 0.000 0.968 459 T CB 1.343 70.245 68.868 0.057 0.000 1.135 459 T HN 0.986 nan 8.240 nan 0.000 0.562 460 N N 0.249 118.985 118.700 0.059 0.000 2.336 460 N HA 0.021 4.761 4.740 -0.000 0.000 0.177 460 N C 1.194 176.706 175.510 0.004 0.000 1.018 460 N CA 0.120 53.198 53.050 0.046 0.000 0.878 460 N CB 0.108 38.615 38.487 0.033 0.000 0.997 460 N HN 0.403 nan 8.380 nan 0.000 0.433 461 K N 0.447 120.825 120.400 -0.036 0.000 2.616 461 K HA 0.002 4.322 4.320 -0.000 0.000 0.192 461 K C 0.759 177.359 176.600 -0.000 0.000 1.031 461 K CA 0.557 56.823 56.287 -0.035 0.000 1.004 461 K CB -0.139 32.317 32.500 -0.073 0.000 0.810 461 K HN 0.536 nan 8.250 nan 0.000 0.497 462 G N 1.602 110.417 108.800 0.024 0.000 2.225 462 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 462 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 462 G C -0.051 174.890 174.900 0.069 0.000 0.988 462 G CA -0.204 44.921 45.100 0.042 0.000 0.625 462 G HN 0.323 nan 8.290 nan 0.000 0.527 463 R N 0.777 121.326 120.500 0.083 0.000 2.401 463 R HA 0.443 4.783 4.340 -0.000 0.000 0.299 463 R C 0.132 176.559 176.300 0.212 0.000 1.064 463 R CA 0.232 56.412 56.100 0.133 0.000 1.000 463 R CB 0.582 30.962 30.300 0.132 0.000 0.973 463 R HN 0.434 nan 8.270 nan 0.000 0.438 464 Q N 2.258 122.192 119.800 0.223 0.000 2.353 464 Q HA 0.369 4.709 4.340 -0.000 0.000 0.268 464 Q C -1.094 175.032 176.000 0.210 0.000 1.045 464 Q CA -0.651 55.297 55.803 0.241 0.000 0.811 464 Q CB 2.348 31.163 28.738 0.128 0.000 1.305 464 Q HN 0.406 nan 8.270 nan 0.000 0.447 465 K N 1.650 122.114 120.400 0.107 0.000 2.562 465 K HA 0.576 4.896 4.320 -0.000 0.000 0.267 465 K C -1.984 174.443 176.600 -0.287 0.000 0.938 465 K CA -0.566 55.635 56.287 -0.143 0.000 0.840 465 K CB 2.005 34.349 32.500 -0.260 0.000 1.390 465 K HN 0.419 nan 8.250 nan 0.000 0.428 466 V N 3.177 122.978 119.914 -0.189 0.000 2.709 466 V HA 0.499 4.619 4.120 -0.000 0.000 0.308 466 V C -0.727 175.287 176.094 -0.133 0.000 1.062 466 V CA -0.826 61.377 62.300 -0.162 0.000 0.901 466 V CB 1.804 33.575 31.823 -0.086 0.000 1.003 466 V HN 0.595 nan 8.190 nan 0.000 0.425 467 V N 2.912 122.749 119.914 -0.127 0.000 2.680 467 V HA 0.867 4.987 4.120 -0.000 0.000 0.309 467 V C -2.793 173.271 176.094 -0.051 0.000 1.052 467 V CA -2.321 59.929 62.300 -0.083 0.000 0.908 467 V CB 2.195 33.968 31.823 -0.082 0.000 1.001 467 V HN 0.733 nan 8.190 nan 0.000 0.431 468 P HA 0.668 nan 4.420 nan 0.000 0.299 468 P C -1.347 175.946 177.300 -0.011 0.000 1.323 468 P CA -0.662 62.427 63.100 -0.019 0.000 0.896 468 P CB 2.161 33.852 31.700 -0.016 0.000 1.081 469 L N 1.665 122.884 121.223 -0.006 0.000 2.381 469 L HA 0.523 4.863 4.340 -0.000 0.000 0.268 469 L C 0.738 177.608 176.870 0.000 0.000 0.997 469 L CA -0.801 54.039 54.840 -0.001 0.000 0.818 469 L CB 2.322 44.382 42.059 0.003 0.000 1.310 469 L HN 0.365 nan 8.230 nan 0.000 0.416 470 T N -1.031 113.524 114.554 0.000 0.000 2.817 470 T HA 0.227 4.577 4.350 -0.000 0.000 0.293 470 T C 0.371 175.071 174.700 0.000 0.000 0.964 470 T CA -0.462 61.638 62.100 0.000 0.000 1.085 470 T CB 0.410 69.278 68.868 -0.000 0.000 0.921 470 T HN 0.840 nan 8.240 nan 0.000 0.502 471 N N 1.497 120.197 118.700 0.000 0.000 2.652 471 N HA -0.200 4.540 4.740 -0.000 0.000 0.281 471 N C -0.540 174.971 175.510 0.001 0.000 1.084 471 N CA 0.578 53.628 53.050 0.000 0.000 0.775 471 N CB -1.557 36.930 38.487 -0.000 0.000 0.923 471 N HN 0.691 nan 8.380 nan 0.000 0.558 472 T N 0.924 115.480 114.554 0.003 0.000 2.841 472 T HA 0.610 4.960 4.350 -0.000 0.000 0.276 472 T C -0.061 174.641 174.700 0.004 0.000 1.003 472 T CA -0.379 61.724 62.100 0.005 0.000 0.995 472 T CB 1.708 70.582 68.868 0.010 0.000 1.260 472 T HN 0.338 nan 8.240 nan 0.000 0.581 473 T N 1.627 116.185 114.554 0.006 0.000 2.863 473 T HA 0.319 4.669 4.350 -0.000 0.000 0.285 473 T C 1.387 176.089 174.700 0.003 0.000 1.009 473 T CA -0.742 61.356 62.100 -0.004 0.000 0.989 473 T CB 1.527 70.383 68.868 -0.019 0.000 1.004 473 T HN 0.524 nan 8.240 nan 0.000 0.455 474 N N 1.533 120.232 118.700 -0.002 0.000 2.060 474 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 474 N C 1.624 177.147 175.510 0.022 0.000 1.028 474 N CA 1.881 54.939 53.050 0.013 0.000 0.861 474 N CB 0.168 38.662 38.487 0.011 0.000 1.029 474 N HN 0.617 nan 8.380 nan 0.000 0.428 475 Q N 0.647 120.430 119.800 -0.029 0.000 1.856 475 Q HA -0.201 4.139 4.340 -0.000 0.000 0.228 475 Q C 1.932 177.989 176.000 0.096 0.000 0.987 475 Q CA 1.483 57.262 55.803 -0.040 0.000 0.873 475 Q CB -0.358 28.134 28.738 -0.409 0.000 0.928 475 Q HN 0.159 nan 8.270 nan 0.000 0.425 476 K N 0.207 120.648 120.400 0.070 0.000 2.317 476 K HA -0.312 4.007 4.320 -0.000 0.000 0.211 476 K C 1.792 178.456 176.600 0.107 0.000 1.018 476 K CA 2.710 59.067 56.287 0.116 0.000 0.925 476 K CB -0.753 31.779 32.500 0.053 0.000 0.877 476 K HN 0.534 nan 8.250 nan 0.000 0.490 477 T N -1.371 113.231 114.554 0.079 0.000 2.812 477 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 477 T C 1.537 176.289 174.700 0.088 0.000 1.042 477 T CA 1.055 63.195 62.100 0.067 0.000 1.140 477 T CB -0.364 68.531 68.868 0.044 0.000 0.870 477 T HN 0.276 nan 8.240 nan 0.000 0.445 478 E N 1.192 121.461 120.200 0.115 0.000 2.233 478 E HA -0.085 4.265 4.350 -0.000 0.000 0.199 478 E C 1.987 178.656 176.600 0.115 0.000 1.004 478 E CA 0.850 57.324 56.400 0.123 0.000 0.819 478 E CB -0.332 29.469 29.700 0.169 0.000 0.738 478 E HN 0.498 nan 8.360 nan 0.000 0.478 479 L N 0.624 121.924 121.223 0.130 0.000 2.554 479 L HA -0.091 4.249 4.340 -0.000 0.000 0.226 479 L C 2.415 179.347 176.870 0.103 0.000 1.137 479 L CA 0.245 55.140 54.840 0.091 0.000 0.863 479 L CB 0.096 42.207 42.059 0.087 0.000 0.985 479 L HN 0.019 nan 8.230 nan 0.000 0.451 480 Q N -0.536 119.325 119.800 0.102 0.000 2.089 480 Q HA -0.039 4.301 4.340 -0.000 0.000 0.195 480 Q C 2.381 178.467 176.000 0.143 0.000 0.963 480 Q CA 1.365 57.245 55.803 0.128 0.000 0.834 480 Q CB -0.155 28.628 28.738 0.076 0.000 0.906 480 Q HN 0.501 nan 8.270 nan 0.000 0.452 481 A N 1.402 124.265 122.820 0.073 0.000 1.841 481 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 481 A C 2.114 179.725 177.584 0.045 0.000 1.199 481 A CA 1.630 53.683 52.037 0.028 0.000 0.621 481 A CB -0.911 18.107 19.000 0.031 0.000 0.835 481 A HN 0.258 nan 8.150 nan 0.000 0.445 482 I N -1.595 119.016 120.570 0.068 0.000 2.103 482 I HA -0.324 3.846 4.170 -0.000 0.000 0.241 482 I C 2.348 178.508 176.117 0.071 0.000 1.036 482 I CA 2.102 63.441 61.300 0.064 0.000 1.300 482 I CB -0.978 37.061 38.000 0.065 0.000 1.010 482 I HN 0.550 nan 8.210 nan 0.000 0.406 483 Y N 0.144 120.437 120.300 -0.013 0.000 2.207 483 Y HA -0.274 4.276 4.550 -0.000 0.000 0.287 483 Y C 2.379 178.267 175.900 -0.019 0.000 1.156 483 Y CA 1.677 59.767 58.100 -0.017 0.000 1.182 483 Y CB -0.421 38.029 38.460 -0.017 0.000 0.979 483 Y HN 0.183 nan 8.280 nan 0.000 0.521 484 L N 0.257 121.409 121.223 -0.119 0.000 2.017 484 L HA -0.080 4.259 4.340 -0.000 0.000 0.208 484 L C 2.534 179.300 176.870 -0.173 0.000 1.073 484 L CA 2.001 56.714 54.840 -0.212 0.000 0.745 484 L CB -1.469 40.466 42.059 -0.208 0.000 0.894 484 L HN 0.257 nan 8.230 nan 0.000 0.432 485 A N -0.045 122.710 122.820 -0.109 0.000 1.859 485 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 485 A C 2.199 179.762 177.584 -0.035 0.000 1.242 485 A CA 2.543 54.474 52.037 -0.177 0.000 0.661 485 A CB -1.391 17.587 19.000 -0.036 0.000 0.842 485 A HN 0.490 nan 8.150 nan 0.000 0.455 486 L N -0.464 120.742 121.223 -0.028 0.000 2.357 486 L HA -0.308 4.032 4.340 -0.000 0.000 0.220 486 L C 2.809 179.628 176.870 -0.086 0.000 1.123 486 L CA 1.523 56.345 54.840 -0.030 0.000 0.782 486 L CB -0.643 41.373 42.059 -0.071 0.000 0.910 486 L HN 0.553 nan 8.230 nan 0.000 0.442 487 Q N 0.268 119.962 119.800 -0.176 0.000 2.033 487 Q HA -0.137 4.203 4.340 -0.000 0.000 0.196 487 Q C 0.645 176.627 176.000 -0.031 0.000 0.970 487 Q CA 1.547 57.243 55.803 -0.179 0.000 0.828 487 Q CB -0.049 28.512 28.738 -0.294 0.000 0.895 487 Q HN 0.639 nan 8.270 nan 0.000 0.440 488 D N 0.247 120.677 120.400 0.049 0.000 2.587 488 D HA 0.055 4.695 4.640 -0.000 0.000 0.233 488 D C -0.315 176.132 176.300 0.246 0.000 1.213 488 D CA -0.181 53.898 54.000 0.132 0.000 0.827 488 D CB 0.179 41.089 40.800 0.183 0.000 1.006 488 D HN -0.005 nan 8.370 nan 0.000 0.490 489 S N -1.525 114.316 115.700 0.235 0.000 2.664 489 S HA 0.786 5.256 4.470 -0.000 0.000 0.304 489 S C 0.721 175.358 174.600 0.062 0.000 1.099 489 S CA -0.835 57.501 58.200 0.227 0.000 1.003 489 S CB 1.755 65.159 63.200 0.341 0.000 1.092 489 S HN 0.147 nan 8.310 nan 0.000 0.525 490 G N -0.143 108.650 108.800 -0.011 0.000 2.553 490 G HA2 0.428 4.388 3.960 -0.000 0.000 0.278 490 G HA3 0.428 4.388 3.960 -0.000 0.000 0.278 490 G C 0.334 175.232 174.900 -0.005 0.000 1.349 490 G CA -0.892 44.199 45.100 -0.016 0.000 1.037 490 G HN 0.623 nan 8.290 nan 0.000 0.508 491 L N -0.130 121.091 121.223 -0.003 0.000 2.633 491 L HA 0.131 4.471 4.340 -0.000 0.000 0.235 491 L C 1.139 178.014 176.870 0.008 0.000 1.163 491 L CA 1.098 55.942 54.840 0.007 0.000 0.859 491 L CB -0.806 41.259 42.059 0.010 0.000 0.973 491 L HN 0.713 nan 8.230 nan 0.000 0.451 492 E N -1.916 118.281 120.200 -0.005 0.000 2.343 492 E HA 0.704 5.054 4.350 -0.000 0.000 0.278 492 E C -1.140 175.445 176.600 -0.025 0.000 0.910 492 E CA -0.893 55.505 56.400 -0.002 0.000 0.757 492 E CB 2.576 32.273 29.700 -0.005 0.000 1.218 492 E HN -0.222 nan 8.360 nan 0.000 0.435 493 V N 1.562 121.472 119.914 -0.007 0.000 3.234 493 V HA 0.389 4.509 4.120 -0.000 0.000 0.280 493 V C -1.961 174.141 176.094 0.013 0.000 1.580 493 V CA -0.726 61.549 62.300 -0.042 0.000 1.032 493 V CB 2.384 34.188 31.823 -0.032 0.000 1.203 493 V HN 0.867 nan 8.190 nan 0.000 0.459 494 N N 3.412 122.099 118.700 -0.022 0.000 2.372 494 N HA 0.686 5.426 4.740 -0.000 0.000 0.291 494 N C -1.391 174.113 175.510 -0.009 0.000 1.024 494 N CA -0.273 52.805 53.050 0.046 0.000 0.873 494 N CB 2.256 40.785 38.487 0.071 0.000 1.206 494 N HN 0.499 nan 8.380 nan 0.000 0.486 495 I N 1.477 122.031 120.570 -0.026 0.000 2.509 495 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 495 I C -0.439 175.604 176.117 -0.123 0.000 1.020 495 I CA -0.735 60.544 61.300 -0.036 0.000 1.088 495 I CB 2.179 40.188 38.000 0.015 0.000 1.267 495 I HN 0.118 nan 8.210 nan 0.000 0.430 496 V N 4.533 124.355 119.914 -0.153 0.000 2.376 496 V HA 0.566 4.686 4.120 -0.000 0.000 0.287 496 V C -0.025 176.059 176.094 -0.017 0.000 1.015 496 V CA -0.523 61.691 62.300 -0.143 0.000 0.834 496 V CB 1.540 33.165 31.823 -0.330 0.000 1.001 496 V HN 0.873 nan 8.190 nan 0.000 0.428 497 T N -0.280 114.285 114.554 0.019 0.000 2.950 497 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 497 T C 0.125 174.857 174.700 0.052 0.000 1.035 497 T CA -0.515 61.628 62.100 0.072 0.000 1.028 497 T CB 2.155 71.095 68.868 0.120 0.000 1.109 497 T HN 0.660 nan 8.240 nan 0.000 0.514 498 D N -0.764 119.690 120.400 0.089 0.000 2.469 498 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 498 D C 0.497 177.052 176.300 0.425 0.000 1.135 498 D CA -0.319 53.718 54.000 0.061 0.000 0.834 498 D CB 0.133 40.909 40.800 -0.040 0.000 1.009 498 D HN 0.455 nan 8.370 nan 0.000 0.507 499 S N 1.012 116.936 115.700 0.372 0.000 2.642 499 S HA 0.058 4.528 4.470 -0.000 0.000 0.309 499 S C 1.258 176.005 174.600 0.244 0.000 1.125 499 S CA -0.445 57.942 58.200 0.311 0.000 1.055 499 S CB 0.693 64.033 63.200 0.233 0.000 1.157 499 S HN 0.031 nan 8.310 nan 0.000 0.513 500 Q N 2.465 122.359 119.800 0.156 0.000 2.217 500 Q HA -0.230 4.110 4.340 -0.000 0.000 0.209 500 Q C 1.114 177.095 176.000 -0.030 0.000 0.988 500 Q CA 2.001 57.707 55.803 -0.161 0.000 0.878 500 Q CB -0.349 28.247 28.738 -0.237 0.000 0.909 500 Q HN 0.984 nan 8.270 nan 0.000 0.424 501 Y N 0.914 121.209 120.300 -0.009 0.000 2.049 501 Y HA -0.262 4.288 4.550 -0.000 0.000 0.277 501 Y C 2.322 178.231 175.900 0.015 0.000 1.143 501 Y CA 1.656 59.761 58.100 0.007 0.000 1.115 501 Y CB -0.760 37.718 38.460 0.031 0.000 0.975 501 Y HN 0.059 nan 8.280 nan 0.000 0.487 502 A N 0.240 122.906 122.820 -0.257 0.000 1.978 502 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 502 A C 2.210 179.687 177.584 -0.178 0.000 1.170 502 A CA 1.675 53.543 52.037 -0.281 0.000 0.636 502 A CB -1.294 17.679 19.000 -0.045 0.000 0.810 502 A HN 0.597 nan 8.150 nan 0.000 0.448 503 L N 0.193 121.365 121.223 -0.085 0.000 1.943 503 L HA -0.079 4.260 4.340 -0.000 0.000 0.215 503 L C 2.461 179.270 176.870 -0.101 0.000 1.074 503 L CA 2.690 57.493 54.840 -0.060 0.000 0.759 503 L CB -1.357 40.664 42.059 -0.064 0.000 0.888 503 L HN 0.296 nan 8.230 nan 0.000 0.433 504 G N -0.124 108.598 108.800 -0.130 0.000 2.532 504 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.222 504 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.222 504 G C 1.430 176.273 174.900 -0.095 0.000 1.102 504 G CA 1.206 46.247 45.100 -0.098 0.000 0.742 504 G HN 0.448 nan 8.290 nan 0.000 0.577 505 I N 0.712 121.150 120.570 -0.221 0.000 2.296 505 I HA 0.037 4.207 4.170 -0.000 0.000 0.242 505 I C 2.830 178.869 176.117 -0.129 0.000 1.087 505 I CA 0.529 61.681 61.300 -0.246 0.000 1.393 505 I CB -1.192 36.520 38.000 -0.480 0.000 1.093 505 I HN 0.169 nan 8.210 nan 0.000 0.421 506 I N 0.416 120.925 120.570 -0.102 0.000 2.163 506 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 506 I C 2.672 178.835 176.117 0.076 0.000 1.081 506 I CA 1.162 62.470 61.300 0.013 0.000 1.353 506 I CB -0.672 37.335 38.000 0.011 0.000 1.054 506 I HN 0.304 nan 8.210 nan 0.000 0.407 507 Q N 0.897 120.720 119.800 0.038 0.000 2.156 507 Q HA -0.264 4.075 4.340 -0.000 0.000 0.211 507 Q C 2.203 178.255 176.000 0.087 0.000 0.995 507 Q CA 2.061 57.899 55.803 0.058 0.000 0.877 507 Q CB -0.353 28.406 28.738 0.035 0.000 0.920 507 Q HN 0.609 nan 8.270 nan 0.000 0.416 508 A N 0.805 123.690 122.820 0.108 0.000 2.277 508 A HA -0.133 4.187 4.320 -0.000 0.000 0.208 508 A C 0.167 177.817 177.584 0.110 0.000 1.202 508 A CA 0.291 52.422 52.037 0.156 0.000 0.762 508 A CB -0.476 18.641 19.000 0.196 0.000 0.770 508 A HN 0.461 nan 8.150 nan 0.000 0.487 509 Q N -0.820 119.022 119.800 0.070 0.000 2.391 509 Q HA -0.159 4.181 4.340 -0.000 0.000 0.366 509 Q C -2.324 173.684 176.000 0.013 0.000 1.305 509 Q CA 0.477 56.249 55.803 -0.052 0.000 1.123 509 Q CB -1.261 27.300 28.738 -0.294 0.000 1.259 509 Q HN 0.606 nan 8.270 nan 0.000 0.307 510 P HA 0.145 nan 4.420 nan 0.000 0.285 510 P C -0.284 177.167 177.300 0.252 0.000 1.269 510 P CA -0.213 62.990 63.100 0.173 0.000 0.844 510 P CB 1.320 33.115 31.700 0.159 0.000 1.094 511 D N -0.939 119.590 120.400 0.215 0.000 2.403 511 D HA 0.118 4.758 4.640 -0.000 0.000 0.280 511 D C 0.164 176.533 176.300 0.116 0.000 1.091 511 D CA 0.681 54.805 54.000 0.207 0.000 0.884 511 D CB -0.184 40.781 40.800 0.274 0.000 1.427 511 D HN 0.160 nan 8.370 nan 0.000 0.504 512 K N 0.481 120.966 120.400 0.141 0.000 2.182 512 K HA 0.683 5.003 4.320 -0.000 0.000 0.262 512 K C -1.020 175.671 176.600 0.153 0.000 0.957 512 K CA -0.469 55.888 56.287 0.117 0.000 0.842 512 K CB 1.883 34.463 32.500 0.133 0.000 1.099 512 K HN 0.016 nan 8.250 nan 0.000 0.438 513 S N 2.245 118.023 115.700 0.130 0.000 2.587 513 S HA 0.340 4.810 4.470 -0.000 0.000 0.269 513 S C -0.704 173.942 174.600 0.076 0.000 1.154 513 S CA -0.502 57.801 58.200 0.171 0.000 0.824 513 S CB 1.266 64.689 63.200 0.371 0.000 1.118 513 S HN 0.648 nan 8.310 nan 0.000 0.462 514 E N 0.860 121.067 120.200 0.012 0.000 2.447 514 E HA 0.330 4.680 4.350 -0.000 0.000 0.204 514 E C 0.195 176.808 176.600 0.022 0.000 0.977 514 E CA 0.264 56.664 56.400 -0.001 0.000 0.950 514 E CB 0.677 30.357 29.700 -0.033 0.000 0.975 514 E HN 0.410 nan 8.360 nan 0.000 0.496 515 S N 1.398 117.143 115.700 0.076 0.000 2.465 515 S HA -0.004 4.466 4.470 -0.000 0.000 0.307 515 S C 0.644 175.288 174.600 0.073 0.000 1.187 515 S CA -0.308 57.961 58.200 0.115 0.000 1.141 515 S CB 0.140 63.502 63.200 0.270 0.000 1.108 515 S HN 0.108 nan 8.310 nan 0.000 0.525 516 E N 4.374 124.587 120.200 0.023 0.000 2.136 516 E HA -0.261 4.089 4.350 -0.000 0.000 0.208 516 E C 1.651 178.220 176.600 -0.051 0.000 1.035 516 E CA 1.627 58.019 56.400 -0.014 0.000 0.838 516 E CB -0.511 29.173 29.700 -0.026 0.000 0.748 516 E HN 0.604 nan 8.360 nan 0.000 0.459 517 L N 0.787 121.972 121.223 -0.064 0.000 1.943 517 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 517 L C 2.257 179.055 176.870 -0.119 0.000 1.074 517 L CA 1.647 56.395 54.840 -0.153 0.000 0.759 517 L CB -0.775 41.212 42.059 -0.120 0.000 0.888 517 L HN 0.127 nan 8.230 nan 0.000 0.433 518 V N 0.852 120.751 119.914 -0.025 0.000 2.736 518 V HA -0.348 3.772 4.120 -0.000 0.000 0.262 518 V C 2.357 178.450 176.094 -0.003 0.000 1.114 518 V CA 1.957 64.247 62.300 -0.018 0.000 1.133 518 V CB -1.193 30.629 31.823 -0.002 0.000 0.703 518 V HN 0.572 nan 8.190 nan 0.000 0.495 519 N N -0.831 117.866 118.700 -0.005 0.000 2.415 519 N HA -0.056 4.684 4.740 -0.000 0.000 0.176 519 N C 1.871 177.358 175.510 -0.039 0.000 1.042 519 N CA 0.630 53.675 53.050 -0.008 0.000 0.902 519 N CB 0.175 38.659 38.487 -0.005 0.000 0.986 519 N HN 0.643 nan 8.380 nan 0.000 0.447 520 Q N 0.741 120.491 119.800 -0.084 0.000 1.969 520 Q HA -0.016 4.324 4.340 -0.000 0.000 0.198 520 Q C 2.198 178.230 176.000 0.053 0.000 0.978 520 Q CA 0.879 56.638 55.803 -0.073 0.000 0.830 520 Q CB -0.069 28.440 28.738 -0.382 0.000 0.896 520 Q HN 0.316 nan 8.270 nan 0.000 0.431 521 I N 1.245 121.848 120.570 0.054 0.000 2.113 521 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 521 I C 2.263 178.362 176.117 -0.030 0.000 1.064 521 I CA 1.385 62.753 61.300 0.113 0.000 1.320 521 I CB -0.450 37.593 38.000 0.072 0.000 1.028 521 I HN 0.225 nan 8.210 nan 0.000 0.406 522 I N 0.261 120.798 120.570 -0.055 0.000 3.055 522 I HA -0.260 3.910 4.170 -0.000 0.000 0.277 522 I C 2.243 178.277 176.117 -0.137 0.000 1.306 522 I CA 1.131 62.366 61.300 -0.108 0.000 1.426 522 I CB -0.398 37.615 38.000 0.023 0.000 1.081 522 I HN 0.383 nan 8.210 nan 0.000 0.502 523 E N -0.111 120.041 120.200 -0.080 0.000 2.132 523 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 523 E C 2.056 178.622 176.600 -0.056 0.000 0.951 523 E CA 0.147 56.508 56.400 -0.066 0.000 0.843 523 E CB 0.190 29.876 29.700 -0.023 0.000 0.807 523 E HN 0.372 nan 8.360 nan 0.000 0.467 524 Q N 0.558 120.342 119.800 -0.027 0.000 2.170 524 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 524 Q C 2.143 178.095 176.000 -0.081 0.000 0.976 524 Q CA 0.841 56.626 55.803 -0.031 0.000 0.858 524 Q CB -0.005 28.725 28.738 -0.014 0.000 0.907 524 Q HN 0.345 nan 8.270 nan 0.000 0.433 525 L N -0.194 120.916 121.223 -0.189 0.000 2.633 525 L HA -0.104 4.236 4.340 -0.000 0.000 0.235 525 L C 1.503 178.261 176.870 -0.186 0.000 1.163 525 L CA 0.164 54.828 54.840 -0.294 0.000 0.859 525 L CB -0.141 41.462 42.059 -0.759 0.000 0.973 525 L HN 0.108 nan 8.230 nan 0.000 0.451 526 I N -0.960 119.564 120.570 -0.077 0.000 3.526 526 I HA -0.059 4.111 4.170 -0.000 0.000 0.294 526 I C 2.277 178.435 176.117 0.067 0.000 1.229 526 I CA 0.871 62.214 61.300 0.072 0.000 1.408 526 I CB 0.014 38.086 38.000 0.119 0.000 1.127 526 I HN -0.005 nan 8.210 nan 0.000 0.439 527 K N 0.668 121.084 120.400 0.026 0.000 2.296 527 K HA -0.004 4.316 4.320 -0.000 0.000 0.200 527 K C 0.265 176.883 176.600 0.030 0.000 1.048 527 K CA 0.637 56.942 56.287 0.031 0.000 0.966 527 K CB 0.326 32.835 32.500 0.015 0.000 0.754 527 K HN -0.095 nan 8.250 nan 0.000 0.466 528 K N 1.308 121.721 120.400 0.022 0.000 2.276 528 K HA -0.035 4.285 4.320 -0.000 0.000 0.283 528 K C 0.656 177.286 176.600 0.049 0.000 1.044 528 K CA 0.185 56.488 56.287 0.027 0.000 0.944 528 K CB 1.496 34.006 32.500 0.016 0.000 1.012 528 K HN 0.291 nan 8.250 nan 0.000 0.472 529 E N 2.298 122.524 120.200 0.044 0.000 2.230 529 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 529 E C -0.455 176.179 176.600 0.057 0.000 0.987 529 E CA 0.970 57.399 56.400 0.049 0.000 0.841 529 E CB 0.464 30.185 29.700 0.035 0.000 0.783 529 E HN 0.306 nan 8.360 nan 0.000 0.481 530 K N 0.559 120.991 120.400 0.053 0.000 2.571 530 K HA 0.363 4.683 4.320 -0.000 0.000 0.252 530 K C -1.886 174.759 176.600 0.074 0.000 0.956 530 K CA -0.560 55.766 56.287 0.066 0.000 0.822 530 K CB 2.790 35.319 32.500 0.048 0.000 1.286 530 K HN -0.103 nan 8.250 nan 0.000 0.439 531 V N 3.685 123.662 119.914 0.106 0.000 2.483 531 V HA 0.331 4.451 4.120 -0.000 0.000 0.297 531 V C -1.290 174.904 176.094 0.165 0.000 1.027 531 V CA -0.879 61.486 62.300 0.110 0.000 0.855 531 V CB 1.498 33.371 31.823 0.084 0.000 0.995 531 V HN 0.713 nan 8.190 nan 0.000 0.424 532 Y N 5.914 126.228 120.300 0.024 0.000 2.335 532 Y HA 0.762 5.312 4.550 -0.000 0.000 0.338 532 Y C -1.004 174.910 175.900 0.023 0.000 0.977 532 Y CA -0.874 57.239 58.100 0.022 0.000 1.114 532 Y CB 1.684 40.144 38.460 0.001 0.000 1.182 532 Y HN 0.593 nan 8.280 nan 0.000 0.463 533 L N 6.465 127.311 121.223 -0.629 0.000 2.349 533 L HA 0.911 5.251 4.340 -0.000 0.000 0.278 533 L C -1.325 175.150 176.870 -0.658 0.000 0.996 533 L CA -0.397 54.153 54.840 -0.483 0.000 0.825 533 L CB 1.216 43.165 42.059 -0.184 0.000 1.243 533 L HN 0.734 nan 8.230 nan 0.000 0.412 534 A N 3.890 126.451 122.820 -0.432 0.000 2.556 534 A HA 0.697 5.017 4.320 -0.000 0.000 0.294 534 A C -2.044 175.564 177.584 0.039 0.000 1.091 534 A CA -0.604 51.314 52.037 -0.198 0.000 0.704 534 A CB 0.837 19.736 19.000 -0.168 0.000 1.300 534 A HN 0.776 nan 8.150 nan 0.000 0.406 535 W N 1.257 122.521 121.300 -0.059 0.000 2.485 535 W HA 0.658 5.318 4.660 -0.000 0.000 0.364 535 W C -0.648 175.886 176.519 0.025 0.000 1.171 535 W CA 0.221 57.558 57.345 -0.013 0.000 1.304 535 W CB 1.671 31.124 29.460 -0.011 0.000 1.335 535 W HN 1.050 nan 8.180 nan 0.000 0.643 536 V N 0.427 119.543 119.914 -1.330 0.000 3.147 536 V HA 0.557 4.677 4.120 -0.000 0.000 0.299 536 V C -2.839 172.196 176.094 -1.765 0.000 1.302 536 V CA -2.841 58.740 62.300 -1.199 0.000 1.015 536 V CB 1.187 32.724 31.823 -0.478 0.000 1.086 536 V HN 0.478 nan 8.190 nan 0.000 0.437 537 P HA 0.343 nan 4.420 nan 0.000 0.267 537 P C -0.241 176.877 177.300 -0.304 0.000 1.200 537 P CA 0.622 63.378 63.100 -0.573 0.000 0.772 537 P CB 0.495 32.058 31.700 -0.228 0.000 0.855 538 A N 2.735 125.518 122.820 -0.061 0.000 2.388 538 A HA 0.230 4.550 4.320 -0.000 0.000 0.257 538 A C 0.061 177.688 177.584 0.072 0.000 1.095 538 A CA -0.144 51.901 52.037 0.012 0.000 0.791 538 A CB -0.920 18.170 19.000 0.151 0.000 1.029 538 A HN 0.783 nan 8.150 nan 0.000 0.489 539 H N -0.545 118.514 119.070 -0.018 0.000 2.594 539 H HA -0.160 4.396 4.556 -0.000 0.000 0.316 539 H C 0.706 176.019 175.328 -0.025 0.000 1.107 539 H CA 1.479 57.518 56.048 -0.015 0.000 1.133 539 H CB -0.727 29.037 29.762 0.002 0.000 1.459 539 H HN 0.647 nan 8.280 nan 0.000 0.411 540 K N 0.137 120.546 120.400 0.014 0.000 2.358 540 K HA 0.255 4.575 4.320 -0.000 0.000 0.200 540 K C 0.920 177.506 176.600 -0.024 0.000 1.030 540 K CA 0.661 56.947 56.287 -0.002 0.000 1.097 540 K CB 0.567 33.044 32.500 -0.039 0.000 0.862 540 K HN 0.506 nan 8.250 nan 0.000 0.534 541 G N 1.907 110.686 108.800 -0.035 0.000 2.370 541 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.293 541 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.293 541 G C -0.491 174.368 174.900 -0.068 0.000 0.992 541 G CA 0.216 45.287 45.100 -0.049 0.000 1.247 541 G HN 0.191 nan 8.290 nan 0.000 0.505 542 I N 1.424 121.937 120.570 -0.095 0.000 2.361 542 I HA 0.487 4.657 4.170 -0.000 0.000 0.282 542 I C 1.731 177.757 176.117 -0.152 0.000 1.075 542 I CA 0.463 61.705 61.300 -0.097 0.000 1.205 542 I CB 0.514 38.463 38.000 -0.084 0.000 1.406 542 I HN 0.649 nan 8.210 nan 0.000 0.481 543 G N 4.497 113.210 108.800 -0.146 0.000 3.545 543 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.372 543 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.372 543 G C 1.329 176.012 174.900 -0.361 0.000 2.079 543 G CA 1.130 46.109 45.100 -0.202 0.000 2.328 543 G HN 0.735 nan 8.290 nan 0.000 0.909 544 G N -0.017 108.357 108.800 -0.710 0.000 2.492 544 G HA2 0.047 4.007 3.960 -0.000 0.000 0.214 544 G HA3 0.047 4.007 3.960 -0.000 0.000 0.214 544 G C 1.489 175.957 174.900 -0.721 0.000 1.147 544 G CA 1.375 45.667 45.100 -1.346 0.000 0.809 544 G HN 0.639 nan 8.290 nan 0.000 0.533 545 N N 0.654 119.119 118.700 -0.392 0.000 2.300 545 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 545 N C 2.014 177.445 175.510 -0.132 0.000 1.016 545 N CA 1.242 54.219 53.050 -0.121 0.000 0.876 545 N CB -0.140 38.303 38.487 -0.074 0.000 0.979 545 N HN 0.513 nan 8.380 nan 0.000 0.432 546 E N -0.077 120.033 120.200 -0.149 0.000 2.265 546 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 546 E C 1.598 178.145 176.600 -0.088 0.000 0.996 546 E CA 0.917 57.253 56.400 -0.106 0.000 0.832 546 E CB 0.021 29.667 29.700 -0.091 0.000 0.756 546 E HN 0.493 nan 8.360 nan 0.000 0.491 547 Q N -0.015 119.721 119.800 -0.105 0.000 2.123 547 Q HA -0.074 4.266 4.340 -0.000 0.000 0.196 547 Q C 2.378 178.361 176.000 -0.028 0.000 0.958 547 Q CA 1.549 57.313 55.803 -0.065 0.000 0.841 547 Q CB 0.393 29.084 28.738 -0.078 0.000 0.915 547 Q HN 0.359 nan 8.270 nan 0.000 0.455 548 V N -0.946 118.958 119.914 -0.016 0.000 2.809 548 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 548 V C 1.497 177.580 176.094 -0.018 0.000 1.080 548 V CA 1.740 64.048 62.300 0.012 0.000 1.102 548 V CB -0.514 31.343 31.823 0.056 0.000 0.705 548 V HN 0.185 nan 8.190 nan 0.000 0.475 549 D N 1.005 121.372 120.400 -0.054 0.000 2.123 549 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 549 D C 2.029 178.310 176.300 -0.032 0.000 0.976 549 D CA 1.113 55.062 54.000 -0.085 0.000 0.831 549 D CB -0.043 40.639 40.800 -0.197 0.000 0.974 549 D HN 0.333 nan 8.370 nan 0.000 0.469 550 K N -0.491 119.897 120.400 -0.019 0.000 2.487 550 K HA 0.136 4.456 4.320 -0.000 0.000 0.192 550 K C 1.329 177.931 176.600 0.003 0.000 1.027 550 K CA 0.118 56.407 56.287 0.004 0.000 1.054 550 K CB -0.056 32.447 32.500 0.004 0.000 0.824 550 K HN 0.148 nan 8.250 nan 0.000 0.510 551 L N -0.355 120.867 121.223 -0.002 0.000 2.592 551 L HA 0.282 4.622 4.340 -0.000 0.000 0.227 551 L C -0.438 176.430 176.870 -0.003 0.000 1.127 551 L CA 0.071 54.911 54.840 0.000 0.000 0.884 551 L CB 0.588 42.650 42.059 0.005 0.000 1.065 551 L HN -0.186 nan 8.230 nan 0.000 0.457 552 V N -0.885 119.028 119.914 -0.002 0.000 3.177 552 V HA 0.311 4.431 4.120 -0.000 0.000 0.319 552 V C 0.619 176.719 176.094 0.010 0.000 1.125 552 V CA -0.339 61.961 62.300 -0.001 0.000 1.029 552 V CB 1.822 33.643 31.823 -0.004 0.000 1.119 552 V HN 0.299 nan 8.190 nan 0.000 0.452 553 S N 1.700 117.407 115.700 0.011 0.000 3.442 553 S HA 0.096 4.566 4.470 -0.000 0.000 0.237 553 S C 0.540 175.157 174.600 0.029 0.000 0.992 553 S CA 0.081 58.291 58.200 0.016 0.000 1.381 553 S CB -0.814 62.394 63.200 0.013 0.000 1.566 553 S HN 1.215 nan 8.310 nan 0.000 0.559 554 A N 2.902 125.741 122.820 0.032 0.000 2.752 554 A HA 0.522 4.842 4.320 -0.000 0.000 0.292 554 A C 1.678 179.281 177.584 0.032 0.000 1.597 554 A CA 0.021 52.085 52.037 0.045 0.000 1.241 554 A CB -1.567 17.459 19.000 0.043 0.000 1.061 554 A HN 1.961 nan 8.150 nan 0.000 0.576 555 G N 1.579 110.398 108.800 0.031 0.000 4.430 555 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.332 555 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.332 555 G C 0.217 175.126 174.900 0.015 0.000 1.338 555 G CA 0.806 45.917 45.100 0.019 0.000 1.024 555 G HN 1.322 nan 8.290 nan 0.000 0.750 556 I N -0.326 120.251 120.570 0.012 0.000 2.741 556 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 556 I C 1.026 177.148 176.117 0.008 0.000 1.482 556 I CA -0.487 60.818 61.300 0.009 0.000 1.050 556 I CB 1.939 39.943 38.000 0.006 0.000 1.388 556 I HN 0.477 nan 8.210 nan 0.000 0.428 557 R N 4.476 124.980 120.500 0.007 0.000 2.198 557 R HA -0.240 4.100 4.340 -0.000 0.000 0.258 557 R C 0.998 177.301 176.300 0.006 0.000 1.173 557 R CA 2.347 58.451 56.100 0.007 0.000 0.991 557 R CB -0.227 30.076 30.300 0.005 0.000 0.879 557 R HN 0.833 nan 8.270 nan 0.000 0.460 558 K N 0.000 120.403 120.400 0.005 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.289 56.287 0.003 0.000 0.838 558 K CB 0.000 32.502 32.500 0.003 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543