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 2oa6_1_C DATA FIRST_RESID 13 DATA SEQUENCE SLEPPPSTFQ PLCHPLVEEV SKEVDGYFLQ HWNFPXXXXR KKFVAAGFSR DATA SEQUENCE VTCLYFPKAL DDRIHFACRL LTVLFLIDDL LEYMSFEEGS AYNEKLIPIS DATA SEQUENCE RGDVLPDRSI PVEYIIYDLW ESMRAHDREM ADEILEPVFL FMRAQTDRTR DATA SEQUENCE ARPMGLGGYL EYRERDVGKE LLAALMRFSM GLKLSPSELQ RVREIDANCS DATA SEQUENCE KHLSVVNDIY SYEKELYTXX XXXXXXXILC TSVQILAQEA DVTAEAAKRV DATA SEQUENCE LFVMCREWEL RHQLLVARLS AEGLETPGLA AYVEGLEYQM SGNELWSQTT DATA SEQUENCE LRYSV 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 13 S HA 0.000 nan 4.470 nan 0.000 0.327 13 S C 0.000 174.623 174.600 0.038 0.000 1.055 13 S CA 0.000 58.215 58.200 0.024 0.000 1.107 13 S CB 0.000 63.220 63.200 0.034 0.000 0.593 14 L N 0.515 121.751 121.223 0.021 0.000 3.291 14 L HA -0.158 4.181 4.340 -0.001 0.000 0.659 14 L C -0.703 176.188 176.870 0.034 0.000 1.042 14 L CA 0.649 55.506 54.840 0.028 0.000 1.256 14 L CB -0.290 41.791 42.059 0.038 0.000 1.596 14 L HN 0.915 nan 8.230 nan 0.000 0.819 15 E N 6.393 126.584 120.200 -0.015 0.000 2.105 15 E HA 0.380 4.729 4.350 -0.001 0.000 0.285 15 E C -2.112 174.389 176.600 -0.165 0.000 1.055 15 E CA -1.314 55.051 56.400 -0.058 0.000 0.843 15 E CB 0.720 30.384 29.700 -0.060 0.000 1.067 15 E HN 0.323 nan 8.360 nan 0.000 0.398 16 P HA 0.052 nan 4.420 nan 0.000 0.268 16 P C -2.414 174.573 177.300 -0.521 0.000 1.205 16 P CA -0.945 61.704 63.100 -0.752 0.000 0.771 16 P CB 0.070 31.375 31.700 -0.658 0.000 0.858 17 P HA 0.231 nan 4.420 nan 0.000 0.274 17 P C -2.549 174.613 177.300 -0.231 0.000 1.246 17 P CA -1.594 61.330 63.100 -0.293 0.000 0.795 17 P CB -0.667 30.897 31.700 -0.227 0.000 1.006 18 P HA 0.047 nan 4.420 nan 0.000 0.264 18 P C -0.168 177.079 177.300 -0.089 0.000 1.179 18 P CA 0.752 63.796 63.100 -0.094 0.000 0.763 18 P CB 0.245 31.904 31.700 -0.067 0.000 0.806 19 S N 0.351 116.017 115.700 -0.057 0.000 2.540 19 S HA 0.404 4.874 4.470 -0.001 0.000 0.275 19 S C 0.864 175.467 174.600 0.005 0.000 1.123 19 S CA -0.175 57.993 58.200 -0.055 0.000 0.907 19 S CB 0.834 64.022 63.200 -0.019 0.000 1.081 19 S HN 0.511 nan 8.310 nan 0.000 0.476 20 T N 1.285 115.840 114.554 0.000 0.000 3.081 20 T HA 0.313 4.662 4.350 -0.001 0.000 0.255 20 T C 0.133 175.040 174.700 0.346 0.000 1.113 20 T CA 0.223 62.403 62.100 0.133 0.000 1.082 20 T CB -0.391 68.558 68.868 0.134 0.000 0.939 20 T HN 0.369 nan 8.240 nan 0.000 0.506 21 F N 3.465 123.443 119.950 0.046 0.000 2.445 21 F HA 0.476 5.003 4.527 -0.001 0.000 0.359 21 F C 0.475 176.315 175.800 0.066 0.000 1.101 21 F CA -1.851 56.178 58.000 0.049 0.000 1.177 21 F CB 0.470 39.486 39.000 0.026 0.000 1.110 21 F HN 0.186 nan 8.300 nan 0.000 0.522 22 Q N 5.583 125.526 119.800 0.237 0.000 2.307 22 Q HA 0.385 4.725 4.340 -0.001 0.000 0.262 22 Q C -2.537 173.549 176.000 0.144 0.000 0.961 22 Q CA -2.084 53.813 55.803 0.158 0.000 0.882 22 Q CB 2.047 30.852 28.738 0.112 0.000 1.264 22 Q HN 0.339 nan 8.270 nan 0.000 0.446 23 P HA 0.374 nan 4.420 nan 0.000 0.276 23 P C -0.602 176.670 177.300 -0.047 0.000 1.244 23 P CA -0.321 62.807 63.100 0.048 0.000 0.801 23 P CB 1.244 32.966 31.700 0.036 0.000 1.006 24 L N 0.354 121.477 121.223 -0.167 0.000 2.303 24 L HA 0.636 4.976 4.340 -0.001 0.000 0.256 24 L C -0.139 176.631 176.870 -0.166 0.000 1.034 24 L CA -0.953 53.751 54.840 -0.227 0.000 0.832 24 L CB 2.266 44.049 42.059 -0.460 0.000 1.403 24 L HN 0.496 nan 8.230 nan 0.000 0.419 25 C N -0.294 118.933 119.300 -0.122 0.000 2.626 25 C HA 0.419 4.879 4.460 -0.001 0.000 0.310 25 C C 0.006 174.974 174.990 -0.036 0.000 1.191 25 C CA -0.636 58.353 59.018 -0.048 0.000 1.517 25 C CB 1.191 28.922 27.740 -0.016 0.000 2.102 25 C HN 0.819 nan 8.230 nan 0.000 0.479 26 H N 4.725 123.769 119.070 -0.044 0.000 3.034 26 H HA 0.123 4.679 4.556 -0.001 0.000 0.324 26 H C -1.438 173.875 175.328 -0.024 0.000 1.015 26 H CA 0.053 56.086 56.048 -0.025 0.000 1.429 26 H CB 1.385 31.154 29.762 0.012 0.000 1.429 26 H HN 0.569 nan 8.280 nan 0.000 0.585 27 P HA -0.171 nan 4.420 nan 0.000 0.216 27 P C 1.220 178.563 177.300 0.072 0.000 1.154 27 P CA 1.357 64.400 63.100 -0.095 0.000 0.865 27 P CB 0.175 31.764 31.700 -0.186 0.000 0.789 28 L N -1.522 119.874 121.223 0.288 0.000 2.629 28 L HA 0.081 4.420 4.340 -0.001 0.000 0.230 28 L C 2.171 179.117 176.870 0.127 0.000 1.151 28 L CA -0.085 54.871 54.840 0.194 0.000 0.924 28 L CB -0.426 41.744 42.059 0.185 0.000 1.137 28 L HN -0.134 nan 8.230 nan 0.000 0.457 29 V N 0.779 120.774 119.914 0.135 0.000 2.278 29 V HA -0.349 3.771 4.120 -0.001 0.000 0.251 29 V C 2.557 178.676 176.094 0.041 0.000 1.062 29 V CA 2.636 64.979 62.300 0.071 0.000 1.038 29 V CB 0.115 31.976 31.823 0.064 0.000 0.646 29 V HN 0.625 nan 8.190 nan 0.000 0.447 30 E N 0.126 120.349 120.200 0.038 0.000 2.051 30 E HA -0.230 4.120 4.350 -0.001 0.000 0.192 30 E C 2.006 178.621 176.600 0.026 0.000 0.991 30 E CA 2.108 58.524 56.400 0.027 0.000 0.799 30 E CB -0.398 29.315 29.700 0.022 0.000 0.748 30 E HN 0.741 nan 8.360 nan 0.000 0.449 31 E N -0.536 119.680 120.200 0.026 0.000 2.047 31 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 31 E C 2.151 178.759 176.600 0.013 0.000 0.987 31 E CA 1.315 57.724 56.400 0.016 0.000 0.799 31 E CB -0.265 29.440 29.700 0.009 0.000 0.752 31 E HN 0.153 nan 8.360 nan 0.000 0.449 32 V N 0.344 120.265 119.914 0.011 0.000 2.358 32 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 32 V C 2.343 178.461 176.094 0.040 0.000 1.047 32 V CA 1.834 64.140 62.300 0.009 0.000 1.035 32 V CB -0.708 31.104 31.823 -0.018 0.000 0.658 32 V HN 0.286 nan 8.190 nan 0.000 0.452 33 S N -0.348 115.374 115.700 0.037 0.000 2.359 33 S HA -0.284 4.186 4.470 -0.001 0.000 0.224 33 S C 2.077 176.719 174.600 0.071 0.000 1.035 33 S CA 2.095 60.322 58.200 0.044 0.000 1.018 33 S CB -0.216 62.998 63.200 0.022 0.000 0.876 33 S HN 0.644 nan 8.310 nan 0.000 0.448 34 K N 0.720 121.158 120.400 0.063 0.000 2.002 34 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 34 K C 2.383 179.052 176.600 0.116 0.000 1.048 34 K CA 1.661 57.996 56.287 0.080 0.000 0.930 34 K CB -0.344 32.190 32.500 0.057 0.000 0.714 34 K HN 0.540 nan 8.250 nan 0.000 0.438 35 E N 0.818 121.076 120.200 0.096 0.000 2.023 35 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 35 E C 2.006 178.731 176.600 0.208 0.000 1.003 35 E CA 1.729 58.197 56.400 0.112 0.000 0.809 35 E CB 0.087 29.812 29.700 0.043 0.000 0.755 35 E HN 0.052 nan 8.360 nan 0.000 0.449 36 V N 1.594 121.639 119.914 0.219 0.000 2.307 36 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 36 V C 1.953 178.368 176.094 0.535 0.000 1.045 36 V CA 2.113 64.629 62.300 0.361 0.000 1.024 36 V CB -0.561 31.421 31.823 0.266 0.000 0.651 36 V HN 0.268 nan 8.190 nan 0.000 0.449 37 D N 0.645 121.279 120.400 0.390 0.000 2.144 37 D HA -0.096 4.544 4.640 -0.001 0.000 0.199 37 D C 2.181 178.819 176.300 0.564 0.000 0.984 37 D CA 1.573 55.883 54.000 0.517 0.000 0.834 37 D CB -0.636 40.259 40.800 0.158 0.000 0.955 37 D HN 0.444 nan 8.370 nan 0.000 0.465 38 G N -0.088 108.926 108.800 0.356 0.000 2.433 38 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.216 38 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.216 38 G C 1.612 176.666 174.900 0.256 0.000 1.186 38 G CA 0.851 46.111 45.100 0.267 0.000 0.779 38 G HN 0.314 nan 8.290 nan 0.000 0.543 39 Y N 0.687 121.086 120.300 0.164 0.000 2.151 39 Y HA -0.178 4.371 4.550 -0.001 0.000 0.284 39 Y C 2.364 178.295 175.900 0.052 0.000 1.166 39 Y CA 1.853 59.998 58.100 0.075 0.000 1.163 39 Y CB -0.386 38.127 38.460 0.088 0.000 0.974 39 Y HN 0.170 nan 8.280 nan 0.000 0.511 40 F N -0.532 119.489 119.950 0.119 0.000 2.206 40 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 40 F C 2.222 177.985 175.800 -0.061 0.000 1.090 40 F CA 1.174 59.133 58.000 -0.068 0.000 1.323 40 F CB -0.430 38.474 39.000 -0.161 0.000 1.028 40 F HN 0.023 nan 8.300 nan 0.000 0.492 41 L N -0.543 120.842 121.223 0.270 0.000 2.131 41 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 41 L C 1.863 178.811 176.870 0.131 0.000 1.092 41 L CA 1.096 56.105 54.840 0.282 0.000 0.759 41 L CB -0.447 41.815 42.059 0.339 0.000 0.903 41 L HN 0.111 nan 8.230 nan 0.000 0.435 42 Q N -1.132 118.647 119.800 -0.036 0.000 2.253 42 Q HA -0.030 4.309 4.340 -0.001 0.000 0.210 42 Q C 0.600 176.363 176.000 -0.396 0.000 0.907 42 Q CA 0.787 56.464 55.803 -0.210 0.000 0.948 42 Q CB -0.008 28.547 28.738 -0.305 0.000 1.033 42 Q HN 0.538 nan 8.270 nan 0.000 0.471 43 H N -3.260 115.738 119.070 -0.121 0.000 3.032 43 H HA 0.044 4.600 4.556 -0.001 0.000 0.202 43 H C -0.642 174.602 175.328 -0.140 0.000 0.984 43 H CA -0.506 55.437 56.048 -0.176 0.000 0.921 43 H CB 0.186 29.676 29.762 -0.453 0.000 0.990 43 H HN 0.270 nan 8.280 nan 0.000 0.622 44 W N 2.961 124.149 121.300 -0.187 0.000 2.202 44 W HA 0.224 4.883 4.660 -0.001 0.000 0.332 44 W C -0.799 175.581 176.519 -0.232 0.000 1.263 44 W CA 0.079 57.222 57.345 -0.337 0.000 1.223 44 W CB 0.777 29.830 29.460 -0.678 0.000 1.128 44 W HN 0.074 nan 8.180 nan 0.000 0.573 45 N N 6.514 124.503 118.700 -1.185 0.000 2.527 45 N HA 0.213 4.953 4.740 -0.001 0.000 0.236 45 N C -0.843 174.473 175.510 -0.323 0.000 0.999 45 N CA -0.168 52.530 53.050 -0.586 0.000 0.935 45 N CB -0.191 37.977 38.487 -0.532 0.000 1.132 45 N HN 0.434 nan 8.380 nan 0.000 0.511 46 F N 0.132 120.051 119.950 -0.051 0.000 2.598 46 F HA 0.286 4.813 4.527 -0.000 0.000 0.397 46 F C -2.539 173.303 175.800 0.070 0.000 1.402 46 F CA -1.452 56.604 58.000 0.093 0.000 1.072 46 F CB 0.165 39.361 39.000 0.328 0.000 2.048 46 F HN 0.099 nan 8.300 nan 0.000 0.492 53 K N 2.049 122.362 120.400 -0.146 0.000 2.385 53 K HA 0.129 4.449 4.320 -0.001 0.000 0.341 53 K C -1.016 175.534 176.600 -0.083 0.000 1.328 53 K CA -0.262 55.905 56.287 -0.200 0.000 1.154 53 K CB 0.810 32.924 32.500 -0.644 0.000 1.409 53 K HN 0.757 nan 8.250 nan 0.000 0.464 54 K N 3.816 124.227 120.400 0.019 0.000 3.187 54 K HA -0.092 4.227 4.320 -0.001 0.000 0.274 54 K C 0.837 177.524 176.600 0.146 0.000 0.790 54 K CA 0.260 56.584 56.287 0.062 0.000 1.041 54 K CB -0.443 32.084 32.500 0.046 0.000 0.976 54 K HN 0.400 nan 8.250 nan 0.000 0.438 55 F N 1.512 121.479 119.950 0.029 0.000 2.069 55 F HA -0.145 4.381 4.527 -0.001 0.000 0.298 55 F C 0.790 176.699 175.800 0.180 0.000 1.113 55 F CA 0.913 59.025 58.000 0.186 0.000 1.214 55 F CB 0.056 39.200 39.000 0.240 0.000 0.978 55 F HN -0.098 nan 8.300 nan 0.000 0.474 56 V N 1.492 121.418 119.914 0.019 0.000 2.223 56 V HA 0.485 4.604 4.120 -0.001 0.000 0.249 56 V C 0.505 176.569 176.094 -0.051 0.000 1.233 56 V CA 0.710 62.952 62.300 -0.096 0.000 1.131 56 V CB -0.620 31.212 31.823 0.016 0.000 1.298 56 V HN 0.568 nan 8.190 nan 0.000 0.498 57 A N 3.549 126.314 122.820 -0.091 0.000 2.399 57 A HA 0.429 4.749 4.320 -0.001 0.000 0.208 57 A C 0.818 178.336 177.584 -0.111 0.000 2.793 57 A CA 0.429 52.425 52.037 -0.068 0.000 1.473 57 A CB -0.588 18.394 19.000 -0.031 0.000 0.580 57 A HN 1.050 nan 8.150 nan 0.000 0.500 58 A N 0.978 123.705 122.820 -0.156 0.000 2.279 58 A HA 0.575 4.894 4.320 -0.001 0.000 0.306 58 A C 1.535 178.917 177.584 -0.337 0.000 1.300 58 A CA 0.686 52.550 52.037 -0.288 0.000 0.925 58 A CB -0.100 18.743 19.000 -0.262 0.000 1.152 58 A HN 1.508 nan 8.150 nan 0.000 0.544 59 G N 2.124 110.769 108.800 -0.259 0.000 2.764 59 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.219 59 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.219 59 G C 1.030 175.873 174.900 -0.095 0.000 1.259 59 G CA 1.846 46.865 45.100 -0.135 0.000 0.793 59 G HN 0.864 nan 8.290 nan 0.000 0.633 60 F N -0.351 119.562 119.950 -0.063 0.000 2.455 60 F HA -0.310 4.217 4.527 -0.001 0.000 0.665 60 F C 2.761 178.486 175.800 -0.126 0.000 0.636 60 F CA 1.861 59.809 58.000 -0.085 0.000 1.050 60 F CB -1.701 37.229 39.000 -0.116 0.000 1.479 60 F HN 0.206 nan 8.300 nan 0.000 0.258 61 S N -0.327 115.440 115.700 0.112 0.000 2.383 61 S HA -0.144 4.326 4.470 -0.001 0.000 0.227 61 S C 1.747 176.348 174.600 0.002 0.000 1.026 61 S CA 1.565 59.783 58.200 0.030 0.000 0.981 61 S CB -0.241 62.980 63.200 0.034 0.000 0.818 61 S HN 0.362 nan 8.310 nan 0.000 0.472 62 R N 0.382 120.883 120.500 0.000 0.000 2.115 62 R HA 0.031 4.370 4.340 -0.001 0.000 0.226 62 R C 2.133 178.437 176.300 0.005 0.000 1.100 62 R CA 0.922 57.026 56.100 0.006 0.000 0.980 62 R CB -0.403 29.901 30.300 0.008 0.000 0.875 62 R HN 0.263 nan 8.270 nan 0.000 0.445 63 V N 0.484 120.379 119.914 -0.032 0.000 2.358 63 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 63 V C 2.074 178.068 176.094 -0.168 0.000 1.047 63 V CA 2.094 64.328 62.300 -0.109 0.000 1.035 63 V CB -0.579 31.026 31.823 -0.363 0.000 0.658 63 V HN 0.348 nan 8.190 nan 0.000 0.452 64 T N -1.054 113.371 114.554 -0.214 0.000 2.788 64 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 64 T C 1.871 176.457 174.700 -0.189 0.000 1.044 64 T CA 1.874 63.788 62.100 -0.310 0.000 1.139 64 T CB -0.509 68.273 68.868 -0.144 0.000 0.867 64 T HN 0.532 nan 8.240 nan 0.000 0.454 65 C N 0.667 119.939 119.300 -0.046 0.000 2.448 65 C HA 0.238 4.698 4.460 -0.001 0.000 0.280 65 C C 2.573 177.592 174.990 0.049 0.000 1.398 65 C CA -0.069 58.974 59.018 0.042 0.000 1.774 65 C CB -1.288 26.492 27.740 0.067 0.000 1.888 65 C HN 0.529 nan 8.230 nan 0.000 0.519 66 L N -0.981 120.260 121.223 0.030 0.000 2.179 66 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 66 L C 2.125 178.969 176.870 -0.043 0.000 1.096 66 L CA 1.483 56.336 54.840 0.021 0.000 0.779 66 L CB -0.279 41.824 42.059 0.073 0.000 0.922 66 L HN 0.342 nan 8.230 nan 0.000 0.443 67 Y N -1.298 118.804 120.300 -0.331 0.000 2.365 67 Y HA -0.015 4.535 4.550 -0.001 0.000 0.293 67 Y C 0.776 176.510 175.900 -0.276 0.000 1.119 67 Y CA 0.655 58.475 58.100 -0.468 0.000 1.203 67 Y CB 0.104 37.983 38.460 -0.968 0.000 1.026 67 Y HN 0.002 nan 8.280 nan 0.000 0.549 68 F N -0.216 119.836 119.950 0.171 0.000 2.542 68 F HA 0.329 4.855 4.527 -0.000 0.000 0.323 68 F C -1.970 173.918 175.800 0.146 0.000 1.411 68 F CA -2.118 55.962 58.000 0.133 0.000 1.124 68 F CB 0.674 39.730 39.000 0.094 0.000 1.331 68 F HN -0.085 nan 8.300 nan 0.000 0.560 69 P HA -0.169 nan 4.420 nan 0.000 0.219 69 P C 0.704 178.029 177.300 0.042 0.000 1.146 69 P CA 1.443 64.565 63.100 0.037 0.000 0.808 69 P CB 0.163 31.695 31.700 -0.281 0.000 0.779 70 K N -0.818 119.654 120.400 0.121 0.000 2.493 70 K HA 0.368 4.688 4.320 -0.001 0.000 0.207 70 K C 0.424 177.124 176.600 0.165 0.000 1.033 70 K CA -0.448 55.898 56.287 0.098 0.000 1.161 70 K CB 0.287 32.860 32.500 0.121 0.000 0.873 70 K HN 0.054 nan 8.250 nan 0.000 0.491 71 A N 1.153 124.147 122.820 0.289 0.000 2.425 71 A HA 0.184 4.503 4.320 -0.001 0.000 0.242 71 A C 0.273 177.984 177.584 0.211 0.000 1.077 71 A CA -0.351 51.789 52.037 0.172 0.000 0.781 71 A CB 0.158 19.223 19.000 0.108 0.000 1.020 71 A HN 0.329 nan 8.150 nan 0.000 0.494 72 L N 1.390 122.654 121.223 0.068 0.000 2.485 72 L HA -0.006 4.333 4.340 -0.001 0.000 0.275 72 L C 0.733 177.663 176.870 0.100 0.000 1.207 72 L CA -0.134 54.745 54.840 0.064 0.000 0.855 72 L CB 0.150 42.206 42.059 -0.005 0.000 1.114 72 L HN 0.822 nan 8.230 nan 0.000 0.485 73 D N 0.435 120.911 120.400 0.127 0.000 2.221 73 D HA -0.199 4.440 4.640 -0.001 0.000 0.204 73 D C 1.086 177.395 176.300 0.016 0.000 0.982 73 D CA 1.420 55.497 54.000 0.129 0.000 0.857 73 D CB -0.109 40.749 40.800 0.096 0.000 0.934 73 D HN 0.669 nan 8.370 nan 0.000 0.475 74 D N -0.804 119.590 120.400 -0.009 0.000 2.349 74 D HA 0.028 4.668 4.640 -0.001 0.000 0.214 74 D C 1.267 177.452 176.300 -0.193 0.000 1.063 74 D CA 0.043 54.005 54.000 -0.064 0.000 0.847 74 D CB -0.009 40.826 40.800 0.057 0.000 0.933 74 D HN 0.131 nan 8.370 nan 0.000 0.513 75 R N -0.553 119.840 120.500 -0.178 0.000 2.419 75 R HA 0.252 4.592 4.340 -0.001 0.000 0.235 75 R C 1.500 177.682 176.300 -0.196 0.000 0.899 75 R CA -0.291 55.673 56.100 -0.226 0.000 1.048 75 R CB 0.124 30.290 30.300 -0.224 0.000 1.182 75 R HN 0.032 nan 8.270 nan 0.000 0.544 76 I N 2.603 123.064 120.570 -0.182 0.000 2.264 76 I HA -0.299 3.871 4.170 -0.001 0.000 0.248 76 I C 2.498 178.510 176.117 -0.175 0.000 1.111 76 I CA 1.762 62.930 61.300 -0.220 0.000 1.382 76 I CB -0.363 37.311 38.000 -0.543 0.000 1.060 76 I HN 0.248 nan 8.210 nan 0.000 0.418 77 H N -0.397 118.493 119.070 -0.300 0.000 2.421 77 H HA -0.181 4.375 4.556 -0.001 0.000 0.298 77 H C 2.115 177.334 175.328 -0.182 0.000 1.087 77 H CA 1.721 57.612 56.048 -0.260 0.000 1.330 77 H CB -1.417 28.141 29.762 -0.341 0.000 1.388 77 H HN 0.439 nan 8.280 nan 0.000 0.526 78 F N 1.705 121.121 119.950 -0.890 0.000 2.075 78 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 78 F C 3.223 178.808 175.800 -0.359 0.000 1.113 78 F CA 0.902 58.511 58.000 -0.651 0.000 1.218 78 F CB -0.326 38.408 39.000 -0.443 0.000 0.984 78 F HN 0.326 nan 8.300 nan 0.000 0.472 79 A N -0.445 122.355 122.820 -0.033 0.000 1.892 79 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 79 A C 2.203 179.754 177.584 -0.054 0.000 1.188 79 A CA 1.993 54.013 52.037 -0.029 0.000 0.631 79 A CB -1.571 17.488 19.000 0.098 0.000 0.822 79 A HN 0.549 nan 8.150 nan 0.000 0.447 80 C N -1.189 118.086 119.300 -0.043 0.000 2.429 80 C HA -0.086 4.374 4.460 -0.001 0.000 0.277 80 C C 2.866 177.809 174.990 -0.078 0.000 1.262 80 C CA 1.114 60.100 59.018 -0.052 0.000 1.733 80 C CB -1.408 26.326 27.740 -0.010 0.000 2.010 80 C HN 0.607 nan 8.230 nan 0.000 0.483 81 R N 0.273 120.753 120.500 -0.033 0.000 2.066 81 R HA -0.058 4.282 4.340 -0.001 0.000 0.232 81 R C 2.298 178.560 176.300 -0.063 0.000 1.131 81 R CA 1.082 57.222 56.100 0.068 0.000 0.955 81 R CB -0.540 29.803 30.300 0.072 0.000 0.851 81 R HN 0.495 nan 8.270 nan 0.000 0.432 82 L N 0.913 122.023 121.223 -0.187 0.000 2.042 82 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 82 L C 2.161 178.828 176.870 -0.337 0.000 1.076 82 L CA 1.418 56.094 54.840 -0.274 0.000 0.749 82 L CB -0.125 41.706 42.059 -0.380 0.000 0.893 82 L HN 0.289 nan 8.230 nan 0.000 0.432 83 L N -1.422 119.550 121.223 -0.418 0.000 2.179 83 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 83 L C 2.447 178.880 176.870 -0.729 0.000 1.096 83 L CA 1.066 55.467 54.840 -0.732 0.000 0.779 83 L CB -0.646 40.983 42.059 -0.716 0.000 0.922 83 L HN 0.255 nan 8.230 nan 0.000 0.443 84 T N -0.516 113.701 114.554 -0.562 0.000 2.674 84 T HA -0.200 4.149 4.350 -0.001 0.000 0.265 84 T C 1.905 176.037 174.700 -0.945 0.000 1.039 84 T CA 1.523 63.092 62.100 -0.885 0.000 1.150 84 T CB -0.255 67.980 68.868 -1.055 0.000 0.864 84 T HN 0.122 nan 8.240 nan 0.000 0.427 85 V N 1.161 120.700 119.914 -0.625 0.000 2.358 85 V HA -0.062 4.057 4.120 -0.001 0.000 0.246 85 V C 2.325 178.296 176.094 -0.205 0.000 1.047 85 V CA 1.460 63.548 62.300 -0.354 0.000 1.035 85 V CB -0.518 31.366 31.823 0.103 0.000 0.658 85 V HN 0.464 nan 8.190 nan 0.000 0.452 86 L N -1.112 120.016 121.223 -0.158 0.000 2.046 86 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 86 L C 2.439 179.425 176.870 0.193 0.000 1.077 86 L CA 1.679 56.542 54.840 0.039 0.000 0.747 86 L CB -0.566 41.454 42.059 -0.065 0.000 0.896 86 L HN 0.312 nan 8.230 nan 0.000 0.432 87 F N -0.381 119.540 119.950 -0.049 0.000 2.259 87 F HA -0.112 4.415 4.527 -0.001 0.000 0.298 87 F C 2.283 178.066 175.800 -0.028 0.000 1.088 87 F CA 0.750 58.777 58.000 0.045 0.000 1.358 87 F CB -0.809 38.316 39.000 0.209 0.000 1.040 87 F HN -0.021 nan 8.300 nan 0.000 0.505 88 L N -0.690 120.447 121.223 -0.144 0.000 2.072 88 L HA -0.179 4.161 4.340 -0.001 0.000 0.205 88 L C 2.413 179.292 176.870 0.015 0.000 1.079 88 L CA 1.037 55.708 54.840 -0.282 0.000 0.752 88 L CB -0.539 40.845 42.059 -1.126 0.000 0.906 88 L HN 0.035 nan 8.230 nan 0.000 0.436 89 I N 0.038 120.648 120.570 0.067 0.000 2.286 89 I HA -0.328 3.841 4.170 -0.001 0.000 0.248 89 I C 2.048 178.261 176.117 0.160 0.000 1.115 89 I CA 1.625 63.063 61.300 0.231 0.000 1.392 89 I CB -0.250 37.943 38.000 0.322 0.000 1.065 89 I HN 0.322 nan 8.210 nan 0.000 0.418 90 D N 0.570 121.089 120.400 0.199 0.000 2.178 90 D HA -0.231 4.408 4.640 -0.001 0.000 0.202 90 D C 1.944 178.330 176.300 0.143 0.000 0.974 90 D CA 1.040 55.145 54.000 0.175 0.000 0.841 90 D CB 0.063 41.037 40.800 0.290 0.000 0.953 90 D HN 0.170 nan 8.370 nan 0.000 0.478 91 D N -0.434 120.080 120.400 0.190 0.000 2.123 91 D HA -0.098 4.542 4.640 -0.001 0.000 0.200 91 D C 2.259 178.709 176.300 0.251 0.000 0.976 91 D CA 0.390 54.521 54.000 0.218 0.000 0.831 91 D CB 0.016 40.985 40.800 0.281 0.000 0.974 91 D HN 0.283 nan 8.370 nan 0.000 0.469 92 L N 0.497 121.859 121.223 0.232 0.000 1.961 92 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 92 L C 2.750 179.709 176.870 0.148 0.000 1.072 92 L CA 0.775 55.746 54.840 0.219 0.000 0.749 92 L CB -0.598 41.492 42.059 0.052 0.000 0.889 92 L HN 0.099 nan 8.230 nan 0.000 0.432 93 L N 0.129 121.327 121.223 -0.041 0.000 2.232 93 L HA -0.317 4.023 4.340 -0.001 0.000 0.219 93 L C 2.417 179.215 176.870 -0.121 0.000 1.086 93 L CA 1.974 56.740 54.840 -0.124 0.000 0.789 93 L CB -0.873 41.105 42.059 -0.134 0.000 0.890 93 L HN 0.509 nan 8.230 nan 0.000 0.441 94 E N -0.794 119.351 120.200 -0.092 0.000 2.472 94 E HA -0.217 4.132 4.350 -0.001 0.000 0.200 94 E C 1.302 177.720 176.600 -0.303 0.000 1.046 94 E CA 1.238 57.506 56.400 -0.220 0.000 0.871 94 E CB -0.242 29.297 29.700 -0.267 0.000 0.806 94 E HN 0.596 nan 8.360 nan 0.000 0.533 95 Y N 0.987 121.250 120.300 -0.061 0.000 2.485 95 Y HA 0.325 4.874 4.550 -0.001 0.000 0.260 95 Y C 0.604 176.474 175.900 -0.051 0.000 1.173 95 Y CA -0.510 57.566 58.100 -0.039 0.000 1.252 95 Y CB 0.260 38.707 38.460 -0.022 0.000 1.123 95 Y HN 0.114 nan 8.280 nan 0.000 0.524 96 M N -2.144 117.470 119.600 0.024 0.000 2.550 96 M HA 0.601 5.081 4.480 -0.001 0.000 0.292 96 M C -0.350 175.927 176.300 -0.038 0.000 1.221 96 M CA -1.059 54.242 55.300 0.001 0.000 0.873 96 M CB 1.671 34.260 32.600 -0.018 0.000 1.727 96 M HN -0.244 nan 8.290 nan 0.000 0.459 97 S N 0.599 116.315 115.700 0.027 0.000 2.560 97 S HA 0.088 4.558 4.470 -0.001 0.000 0.276 97 S C 0.392 175.031 174.600 0.064 0.000 1.350 97 S CA -0.222 58.033 58.200 0.093 0.000 1.024 97 S CB -0.044 63.220 63.200 0.107 0.000 0.864 97 S HN 0.579 nan 8.310 nan 0.000 0.536 98 F N 0.790 120.753 119.950 0.023 0.000 2.664 98 F HA -0.019 4.508 4.527 -0.001 0.000 0.297 98 F C 2.038 177.856 175.800 0.030 0.000 1.164 98 F CA 0.720 58.735 58.000 0.024 0.000 1.472 98 F CB -0.114 38.898 39.000 0.020 0.000 1.108 98 F HN 0.496 nan 8.300 nan 0.000 0.596 99 E N -0.860 119.439 120.200 0.164 0.000 2.399 99 E HA 0.027 4.377 4.350 -0.001 0.000 0.205 99 E C 1.857 178.508 176.600 0.085 0.000 0.906 99 E CA 0.241 56.709 56.400 0.113 0.000 0.998 99 E CB -0.203 29.557 29.700 0.100 0.000 1.002 99 E HN 0.431 nan 8.360 nan 0.000 0.501 100 E N 0.751 120.996 120.200 0.074 0.000 2.072 100 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 100 E C 1.995 178.651 176.600 0.093 0.000 0.985 100 E CA 1.093 57.537 56.400 0.073 0.000 0.801 100 E CB -0.065 29.668 29.700 0.055 0.000 0.750 100 E HN 0.218 nan 8.360 nan 0.000 0.452 101 G N 0.575 109.399 108.800 0.040 0.000 2.403 101 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 101 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 101 G C 1.615 176.582 174.900 0.113 0.000 1.154 101 G CA 0.696 45.816 45.100 0.034 0.000 0.784 101 G HN 0.217 nan 8.290 nan 0.000 0.538 102 S N 0.701 116.450 115.700 0.082 0.000 2.368 102 S HA 0.009 4.479 4.470 -0.001 0.000 0.225 102 S C 2.699 177.352 174.600 0.088 0.000 1.030 102 S CA 1.715 59.965 58.200 0.084 0.000 0.999 102 S CB -0.391 62.859 63.200 0.083 0.000 0.844 102 S HN 0.499 nan 8.310 nan 0.000 0.459 103 A N -0.104 122.771 122.820 0.091 0.000 1.929 103 A HA 0.014 4.333 4.320 -0.001 0.000 0.216 103 A C 1.928 179.562 177.584 0.084 0.000 1.176 103 A CA 1.439 53.516 52.037 0.066 0.000 0.628 103 A CB -1.139 17.896 19.000 0.059 0.000 0.816 103 A HN 0.734 nan 8.150 nan 0.000 0.444 104 Y N 1.501 121.807 120.300 0.011 0.000 2.014 104 Y HA -0.309 4.241 4.550 -0.000 0.000 0.272 104 Y C 2.344 178.259 175.900 0.025 0.000 1.164 104 Y CA 2.493 60.604 58.100 0.018 0.000 1.114 104 Y CB -0.278 38.198 38.460 0.027 0.000 0.961 104 Y HN 0.328 nan 8.280 nan 0.000 0.489 105 N N 0.161 119.002 118.700 0.235 0.000 2.188 105 N HA -0.169 4.571 4.740 -0.001 0.000 0.184 105 N C 1.702 177.218 175.510 0.011 0.000 1.018 105 N CA 1.409 54.537 53.050 0.130 0.000 0.858 105 N CB -0.324 38.274 38.487 0.185 0.000 0.989 105 N HN 0.425 nan 8.380 nan 0.000 0.426 106 E N 1.419 121.620 120.200 0.002 0.000 2.333 106 E HA -0.104 4.245 4.350 -0.001 0.000 0.198 106 E C 1.786 178.331 176.600 -0.092 0.000 1.007 106 E CA 0.880 57.249 56.400 -0.051 0.000 0.845 106 E CB 0.065 29.747 29.700 -0.031 0.000 0.766 106 E HN 0.258 nan 8.360 nan 0.000 0.507 107 K N -0.285 120.056 120.400 -0.097 0.000 2.076 107 K HA -0.023 4.297 4.320 -0.001 0.000 0.204 107 K C 1.842 178.369 176.600 -0.121 0.000 1.051 107 K CA 0.751 56.968 56.287 -0.117 0.000 0.949 107 K CB -0.020 32.394 32.500 -0.144 0.000 0.726 107 K HN 0.168 nan 8.250 nan 0.000 0.443 108 L N 1.137 122.287 121.223 -0.121 0.000 2.265 108 L HA -0.144 4.196 4.340 -0.001 0.000 0.215 108 L C 2.228 179.062 176.870 -0.059 0.000 1.117 108 L CA 0.718 55.520 54.840 -0.064 0.000 0.782 108 L CB -0.410 41.638 42.059 -0.018 0.000 0.914 108 L HN 0.205 nan 8.230 nan 0.000 0.441 109 I N 0.154 120.633 120.570 -0.153 0.000 2.226 109 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 109 I C -0.267 175.636 176.117 -0.357 0.000 1.100 109 I CA 1.487 62.560 61.300 -0.377 0.000 1.374 109 I CB -1.381 36.216 38.000 -0.673 0.000 1.057 109 I HN 0.219 nan 8.210 nan 0.000 0.413 110 P HA -0.067 nan 4.420 nan 0.000 0.220 110 P C 1.867 179.130 177.300 -0.062 0.000 1.152 110 P CA 1.297 64.302 63.100 -0.157 0.000 0.812 110 P CB 0.064 31.691 31.700 -0.122 0.000 0.792 111 I N -0.959 119.598 120.570 -0.022 0.000 2.226 111 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 111 I C 2.108 178.298 176.117 0.122 0.000 1.100 111 I CA 1.466 62.834 61.300 0.114 0.000 1.374 111 I CB -0.724 37.343 38.000 0.111 0.000 1.057 111 I HN -0.064 nan 8.210 nan 0.000 0.413 112 S N 0.587 116.256 115.700 -0.052 0.000 2.370 112 S HA -0.174 4.296 4.470 -0.001 0.000 0.226 112 S C 2.005 176.363 174.600 -0.404 0.000 1.033 112 S CA 1.292 59.262 58.200 -0.384 0.000 1.011 112 S CB -0.329 62.580 63.200 -0.484 0.000 0.852 112 S HN 0.395 nan 8.310 nan 0.000 0.457 113 R N 0.283 120.672 120.500 -0.185 0.000 2.237 113 R HA 0.057 4.397 4.340 -0.001 0.000 0.219 113 R C 1.838 178.113 176.300 -0.042 0.000 1.080 113 R CA 0.662 56.697 56.100 -0.110 0.000 0.995 113 R CB -0.257 29.996 30.300 -0.079 0.000 0.875 113 R HN 0.552 nan 8.270 nan 0.000 0.462 114 G N 0.563 109.380 108.800 0.029 0.000 2.217 114 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.246 114 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.246 114 G C 0.509 175.517 174.900 0.179 0.000 0.990 114 G CA 0.407 45.589 45.100 0.138 0.000 0.627 114 G HN 0.295 nan 8.290 nan 0.000 0.522 115 D N 0.201 120.647 120.400 0.077 0.000 2.084 115 D HA 0.038 4.678 4.640 -0.001 0.000 0.194 115 D C 1.577 177.898 176.300 0.036 0.000 0.990 115 D CA 1.402 55.426 54.000 0.040 0.000 0.826 115 D CB -0.139 40.656 40.800 -0.008 0.000 0.971 115 D HN 0.398 nan 8.370 nan 0.000 0.453 116 V N 1.533 121.463 119.914 0.026 0.000 2.567 116 V HA 0.197 4.317 4.120 -0.001 0.000 0.289 116 V C 0.578 176.637 176.094 -0.058 0.000 1.049 116 V CA -0.607 61.681 62.300 -0.019 0.000 0.969 116 V CB 1.875 33.675 31.823 -0.040 0.000 0.995 116 V HN -0.003 nan 8.190 nan 0.000 0.471 117 L N 6.286 127.416 121.223 -0.155 0.000 2.418 117 L HA 0.445 4.785 4.340 -0.001 0.000 0.265 117 L C -2.000 174.685 176.870 -0.308 0.000 1.143 117 L CA -1.496 53.126 54.840 -0.363 0.000 0.809 117 L CB 1.394 43.290 42.059 -0.272 0.000 1.124 117 L HN 0.479 nan 8.230 nan 0.000 0.456 118 P HA 0.085 nan 4.420 nan 0.000 0.286 118 P C -1.329 175.910 177.300 -0.102 0.000 1.261 118 P CA -0.522 62.475 63.100 -0.171 0.000 0.821 118 P CB 1.275 32.926 31.700 -0.081 0.000 1.013 119 D N 2.350 122.723 120.400 -0.045 0.000 2.344 119 D HA 0.020 4.659 4.640 -0.001 0.000 0.253 119 D C 1.090 177.406 176.300 0.026 0.000 1.255 119 D CA -0.124 53.858 54.000 -0.030 0.000 0.894 119 D CB 0.396 41.179 40.800 -0.028 0.000 1.067 119 D HN 0.070 nan 8.370 nan 0.000 0.492 120 R N 1.783 122.271 120.500 -0.020 0.000 2.341 120 R HA -0.079 4.261 4.340 -0.001 0.000 0.213 120 R C 1.759 178.033 176.300 -0.045 0.000 1.082 120 R CA 1.151 57.214 56.100 -0.063 0.000 1.017 120 R CB -0.083 30.127 30.300 -0.151 0.000 0.860 120 R HN 0.426 nan 8.270 nan 0.000 0.473 121 S N -1.545 114.164 115.700 0.015 0.000 2.535 121 S HA 0.203 4.673 4.470 -0.001 0.000 0.214 121 S C 0.574 175.217 174.600 0.072 0.000 0.980 121 S CA -0.353 57.860 58.200 0.022 0.000 0.907 121 S CB 0.218 63.411 63.200 -0.011 0.000 0.790 121 S HN 0.112 nan 8.310 nan 0.000 0.510 122 I N 2.613 123.245 120.570 0.103 0.000 2.328 122 I HA 0.334 4.503 4.170 -0.001 0.000 0.287 122 I C -1.951 174.144 176.117 -0.038 0.000 1.012 122 I CA -2.619 58.691 61.300 0.016 0.000 1.195 122 I CB 1.842 39.822 38.000 -0.033 0.000 1.350 122 I HN -0.056 nan 8.210 nan 0.000 0.464 123 P HA -0.247 nan 4.420 nan 0.000 0.213 123 P C 1.843 178.718 177.300 -0.708 0.000 1.176 123 P CA 1.131 63.818 63.100 -0.688 0.000 0.919 123 P CB 0.276 31.672 31.700 -0.506 0.000 0.791 124 V N -0.135 119.570 119.914 -0.349 0.000 2.380 124 V HA -0.315 3.804 4.120 -0.001 0.000 0.251 124 V C 2.105 178.156 176.094 -0.071 0.000 1.063 124 V CA 2.093 64.367 62.300 -0.045 0.000 1.055 124 V CB -0.924 30.952 31.823 0.089 0.000 0.657 124 V HN 0.121 nan 8.190 nan 0.000 0.455 125 E N -0.844 119.282 120.200 -0.122 0.000 2.028 125 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 125 E C 2.132 178.786 176.600 0.089 0.000 0.988 125 E CA 1.779 58.170 56.400 -0.016 0.000 0.799 125 E CB -0.373 29.317 29.700 -0.017 0.000 0.755 125 E HN 0.990 nan 8.360 nan 0.000 0.447 126 Y N 0.065 120.389 120.300 0.039 0.000 2.293 126 Y HA -0.043 4.506 4.550 -0.001 0.000 0.291 126 Y C 2.040 178.026 175.900 0.144 0.000 1.137 126 Y CA 0.509 58.659 58.100 0.083 0.000 1.202 126 Y CB -0.584 37.874 38.460 -0.004 0.000 0.990 126 Y HN 0.002 nan 8.280 nan 0.000 0.537 127 I N -0.051 120.415 120.570 -0.173 0.000 2.252 127 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 127 I C 2.097 178.294 176.117 0.134 0.000 1.102 127 I CA 1.212 62.511 61.300 -0.003 0.000 1.385 127 I CB -0.202 37.712 38.000 -0.142 0.000 1.064 127 I HN 0.212 nan 8.210 nan 0.000 0.414 128 I N 0.482 121.151 120.570 0.165 0.000 2.127 128 I HA -0.337 3.833 4.170 -0.001 0.000 0.241 128 I C 2.532 178.863 176.117 0.356 0.000 1.075 128 I CA 1.853 63.321 61.300 0.281 0.000 1.334 128 I CB -1.519 36.646 38.000 0.274 0.000 1.040 128 I HN 0.353 nan 8.210 nan 0.000 0.405 129 Y N 2.287 122.707 120.300 0.200 0.000 2.053 129 Y HA -0.319 4.230 4.550 -0.001 0.000 0.277 129 Y C 2.405 178.414 175.900 0.183 0.000 1.159 129 Y CA 2.134 60.347 58.100 0.188 0.000 1.125 129 Y CB -0.437 38.104 38.460 0.135 0.000 0.969 129 Y HN 0.251 nan 8.280 nan 0.000 0.492 130 D N -0.034 120.500 120.400 0.224 0.000 2.133 130 D HA -0.204 4.435 4.640 -0.001 0.000 0.195 130 D C 2.183 178.485 176.300 0.004 0.000 0.997 130 D CA 1.505 55.574 54.000 0.115 0.000 0.840 130 D CB -0.748 40.177 40.800 0.208 0.000 0.947 130 D HN 0.383 nan 8.370 nan 0.000 0.452 131 L N -0.390 120.832 121.223 -0.001 0.000 1.970 131 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 131 L C 2.033 178.731 176.870 -0.285 0.000 1.071 131 L CA 1.765 56.522 54.840 -0.137 0.000 0.751 131 L CB -1.008 40.939 42.059 -0.188 0.000 0.889 131 L HN 0.125 nan 8.230 nan 0.000 0.432 132 W N 0.052 121.234 121.300 -0.197 0.000 2.363 132 W HA -0.120 4.539 4.660 -0.000 0.000 0.296 132 W C 2.574 178.925 176.519 -0.280 0.000 1.212 132 W CA 1.034 58.223 57.345 -0.259 0.000 1.260 132 W CB -0.208 29.129 29.460 -0.205 0.000 1.131 132 W HN 0.155 nan 8.180 nan 0.000 0.530 133 E N -0.070 120.054 120.200 -0.128 0.000 2.085 133 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 133 E C 2.120 178.667 176.600 -0.088 0.000 0.994 133 E CA 1.507 57.805 56.400 -0.170 0.000 0.801 133 E CB -0.814 28.715 29.700 -0.285 0.000 0.743 133 E HN 0.156 nan 8.360 nan 0.000 0.453 134 S N 0.594 116.244 115.700 -0.084 0.000 2.356 134 S HA -0.123 4.347 4.470 -0.001 0.000 0.223 134 S C 2.041 176.508 174.600 -0.220 0.000 1.032 134 S CA 1.235 59.428 58.200 -0.012 0.000 1.005 134 S CB -0.164 63.134 63.200 0.163 0.000 0.867 134 S HN 0.228 nan 8.310 nan 0.000 0.449 135 M N 0.684 119.945 119.600 -0.566 0.000 2.108 135 M HA -0.121 4.359 4.480 -0.001 0.000 0.261 135 M C 2.277 178.464 176.300 -0.189 0.000 1.066 135 M CA 1.425 56.301 55.300 -0.708 0.000 1.107 135 M CB -0.362 31.730 32.600 -0.846 0.000 1.356 135 M HN 0.180 nan 8.290 nan 0.000 0.406 136 R N -0.091 120.354 120.500 -0.091 0.000 2.115 136 R HA -0.010 4.330 4.340 -0.001 0.000 0.230 136 R C 2.213 178.527 176.300 0.023 0.000 1.111 136 R CA 1.315 57.417 56.100 0.003 0.000 0.976 136 R CB -0.455 29.853 30.300 0.013 0.000 0.870 136 R HN 0.356 nan 8.270 nan 0.000 0.445 137 A N 0.489 123.324 122.820 0.024 0.000 2.119 137 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 137 A C 1.847 179.484 177.584 0.088 0.000 1.153 137 A CA 1.003 53.072 52.037 0.053 0.000 0.692 137 A CB -0.470 18.570 19.000 0.067 0.000 0.799 137 A HN 0.300 nan 8.150 nan 0.000 0.458 138 H N -1.398 117.692 119.070 0.034 0.000 2.418 138 H HA 0.050 4.605 4.556 -0.001 0.000 0.300 138 H C -0.577 174.774 175.328 0.039 0.000 1.041 138 H CA 1.408 57.508 56.048 0.087 0.000 1.364 138 H CB 0.536 30.431 29.762 0.221 0.000 1.439 138 H HN 0.369 nan 8.280 nan 0.000 0.540 139 D N -0.333 120.166 120.400 0.166 0.000 2.668 139 D HA 0.100 4.740 4.640 -0.001 0.000 0.247 139 D C 0.691 177.057 176.300 0.111 0.000 1.268 139 D CA -0.281 53.781 54.000 0.103 0.000 0.842 139 D CB 0.414 41.278 40.800 0.106 0.000 1.399 139 D HN 0.094 nan 8.370 nan 0.000 0.530 140 R N 0.990 121.528 120.500 0.063 0.000 2.162 140 R HA -0.233 4.106 4.340 -0.001 0.000 0.245 140 R C 1.878 178.215 176.300 0.061 0.000 1.129 140 R CA 2.032 58.164 56.100 0.053 0.000 0.940 140 R CB -0.672 29.645 30.300 0.029 0.000 0.875 140 R HN 0.445 nan 8.270 nan 0.000 0.437 141 E N 0.317 120.546 120.200 0.049 0.000 2.049 141 E HA -0.216 4.134 4.350 -0.001 0.000 0.198 141 E C 1.956 178.597 176.600 0.069 0.000 1.007 141 E CA 1.808 58.234 56.400 0.044 0.000 0.809 141 E CB -0.067 29.649 29.700 0.026 0.000 0.749 141 E HN 0.364 nan 8.360 nan 0.000 0.450 142 M N -0.060 119.605 119.600 0.108 0.000 2.200 142 M HA -0.066 4.414 4.480 -0.001 0.000 0.265 142 M C 2.435 178.891 176.300 0.260 0.000 1.066 142 M CA 1.160 56.569 55.300 0.182 0.000 1.127 142 M CB -0.073 32.636 32.600 0.182 0.000 1.379 142 M HN 0.229 nan 8.290 nan 0.000 0.420 143 A N 0.568 123.546 122.820 0.262 0.000 1.940 143 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 143 A C 1.753 179.373 177.584 0.060 0.000 1.176 143 A CA 1.923 53.997 52.037 0.062 0.000 0.631 143 A CB -0.688 18.345 19.000 0.055 0.000 0.814 143 A HN 0.438 nan 8.150 nan 0.000 0.446 144 D N -0.437 120.001 120.400 0.063 0.000 2.183 144 D HA -0.096 4.544 4.640 -0.001 0.000 0.203 144 D C 1.663 177.959 176.300 -0.006 0.000 0.969 144 D CA 0.866 54.879 54.000 0.022 0.000 0.842 144 D CB -0.251 40.560 40.800 0.018 0.000 0.957 144 D HN 0.423 nan 8.370 nan 0.000 0.484 145 E N 0.982 121.191 120.200 0.016 0.000 2.171 145 E HA -0.157 4.193 4.350 -0.001 0.000 0.197 145 E C 2.185 178.767 176.600 -0.031 0.000 0.997 145 E CA 0.608 57.009 56.400 0.002 0.000 0.810 145 E CB -0.149 29.566 29.700 0.026 0.000 0.738 145 E HN 0.560 nan 8.360 nan 0.000 0.467 146 I N -2.731 117.809 120.570 -0.050 0.000 3.928 146 I HA 0.111 4.280 4.170 -0.001 0.000 0.335 146 I C 1.764 177.788 176.117 -0.156 0.000 1.325 146 I CA -0.098 61.147 61.300 -0.092 0.000 1.107 146 I CB -0.067 37.847 38.000 -0.144 0.000 1.014 146 I HN -0.120 nan 8.210 nan 0.000 0.400 147 L N 0.737 121.806 121.223 -0.257 0.000 2.012 147 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 147 L C 2.644 178.876 176.870 -1.064 0.000 1.073 147 L CA 1.574 55.942 54.840 -0.786 0.000 0.748 147 L CB -0.370 41.388 42.059 -0.502 0.000 0.891 147 L HN 0.290 nan 8.230 nan 0.000 0.431 148 E N -0.355 119.618 120.200 -0.378 0.000 2.031 148 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 148 E C -0.366 176.178 176.600 -0.093 0.000 0.994 148 E CA 1.345 57.681 56.400 -0.107 0.000 0.800 148 E CB -1.277 28.435 29.700 0.019 0.000 0.752 148 E HN 0.268 nan 8.360 nan 0.000 0.447 149 P HA -0.181 nan 4.420 nan 0.000 0.216 149 P C 1.335 178.638 177.300 0.005 0.000 1.154 149 P CA 1.241 64.327 63.100 -0.023 0.000 0.865 149 P CB 0.060 31.737 31.700 -0.039 0.000 0.789 150 V N -1.727 118.125 119.914 -0.102 0.000 2.427 150 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 150 V C 2.117 178.295 176.094 0.140 0.000 1.051 150 V CA 1.653 63.955 62.300 0.003 0.000 1.048 150 V CB -1.362 30.458 31.823 -0.004 0.000 0.666 150 V HN -0.032 nan 8.190 nan 0.000 0.456 151 F N -0.210 119.784 119.950 0.074 0.000 2.134 151 F HA -0.085 4.441 4.527 -0.001 0.000 0.299 151 F C 2.198 178.038 175.800 0.067 0.000 1.097 151 F CA 0.687 58.709 58.000 0.037 0.000 1.264 151 F CB -1.164 37.816 39.000 -0.033 0.000 1.001 151 F HN 0.053 nan 8.300 nan 0.000 0.479 152 L N -1.390 119.982 121.223 0.248 0.000 2.012 152 L HA -0.275 4.065 4.340 -0.001 0.000 0.210 152 L C 2.536 179.517 176.870 0.185 0.000 1.073 152 L CA 1.558 56.504 54.840 0.176 0.000 0.748 152 L CB -0.724 41.418 42.059 0.138 0.000 0.891 152 L HN 0.110 nan 8.230 nan 0.000 0.431 153 F N 0.357 120.361 119.950 0.090 0.000 2.102 153 F HA -0.269 4.258 4.527 -0.001 0.000 0.298 153 F C 2.499 178.370 175.800 0.118 0.000 1.105 153 F CA 1.627 59.682 58.000 0.091 0.000 1.239 153 F CB -0.163 38.881 39.000 0.073 0.000 0.991 153 F HN -0.046 nan 8.300 nan 0.000 0.474 154 M N -0.241 119.446 119.600 0.144 0.000 2.086 154 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 154 M C 2.352 178.649 176.300 -0.006 0.000 1.067 154 M CA 1.830 57.166 55.300 0.060 0.000 1.116 154 M CB -0.550 32.185 32.600 0.226 0.000 1.348 154 M HN 0.033 nan 8.290 nan 0.000 0.407 155 R N 0.100 120.631 120.500 0.052 0.000 2.096 155 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 155 R C 2.239 178.540 176.300 0.001 0.000 1.127 155 R CA 1.453 57.574 56.100 0.034 0.000 0.968 155 R CB -0.455 29.877 30.300 0.053 0.000 0.861 155 R HN 0.388 nan 8.270 nan 0.000 0.440 156 A N 1.483 124.279 122.820 -0.040 0.000 2.066 156 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 156 A C 1.952 179.463 177.584 -0.121 0.000 1.157 156 A CA 1.006 53.009 52.037 -0.057 0.000 0.670 156 A CB -0.286 18.686 19.000 -0.047 0.000 0.804 156 A HN 0.480 nan 8.150 nan 0.000 0.453 157 Q N -0.419 119.227 119.800 -0.256 0.000 2.435 157 Q HA -0.063 4.276 4.340 -0.001 0.000 0.207 157 Q C 1.276 177.214 176.000 -0.103 0.000 0.956 157 Q CA 1.518 57.177 55.803 -0.240 0.000 0.917 157 Q CB -0.551 27.957 28.738 -0.384 0.000 0.997 157 Q HN 0.620 nan 8.270 nan 0.000 0.497 158 T N -3.808 110.722 114.554 -0.041 0.000 2.959 158 T HA 0.126 4.475 4.350 -0.001 0.000 0.254 158 T C 0.060 174.879 174.700 0.198 0.000 1.003 158 T CA -0.268 61.820 62.100 -0.020 0.000 0.950 158 T CB 0.167 69.029 68.868 -0.009 0.000 1.090 158 T HN -0.019 nan 8.240 nan 0.000 0.503 159 D N 1.878 122.385 120.400 0.178 0.000 2.361 159 D HA 0.420 5.060 4.640 -0.001 0.000 0.239 159 D C 0.175 176.652 176.300 0.294 0.000 1.200 159 D CA -0.030 54.100 54.000 0.217 0.000 0.915 159 D CB 0.660 41.532 40.800 0.119 0.000 1.170 159 D HN 0.218 nan 8.370 nan 0.000 0.444 160 R N -0.446 120.140 120.500 0.143 0.000 2.589 160 R HA 0.525 4.864 4.340 -0.001 0.000 0.293 160 R C -0.486 175.820 176.300 0.010 0.000 0.963 160 R CA -0.743 55.352 56.100 -0.009 0.000 0.905 160 R CB 1.574 31.703 30.300 -0.285 0.000 1.144 160 R HN 0.477 nan 8.270 nan 0.000 0.459 161 T N -0.234 114.328 114.554 0.013 0.000 2.795 161 T HA 0.325 4.675 4.350 -0.001 0.000 0.282 161 T C 0.083 174.766 174.700 -0.028 0.000 0.980 161 T CA -1.129 60.980 62.100 0.016 0.000 1.012 161 T CB 0.941 69.831 68.868 0.037 0.000 0.936 161 T HN 0.610 nan 8.240 nan 0.000 0.457 162 R N 2.362 122.847 120.500 -0.026 0.000 2.401 162 R HA 0.557 4.896 4.340 -0.001 0.000 0.299 162 R C 0.261 176.537 176.300 -0.040 0.000 1.064 162 R CA -0.678 55.401 56.100 -0.035 0.000 1.000 162 R CB 0.057 30.343 30.300 -0.023 0.000 0.973 162 R HN 0.750 nan 8.270 nan 0.000 0.438 163 A N 3.836 126.632 122.820 -0.040 0.000 2.531 163 A HA 0.143 4.463 4.320 -0.001 0.000 0.236 163 A C 0.163 177.727 177.584 -0.034 0.000 1.062 163 A CA 0.047 52.061 52.037 -0.038 0.000 0.760 163 A CB 0.208 19.190 19.000 -0.030 0.000 0.995 163 A HN 0.948 nan 8.150 nan 0.000 0.501 164 R N 1.858 122.337 120.500 -0.036 0.000 2.629 164 R HA 0.468 4.807 4.340 -0.001 0.000 0.266 164 R C -3.151 173.137 176.300 -0.020 0.000 1.051 164 R CA -1.359 54.725 56.100 -0.027 0.000 0.895 164 R CB 1.258 31.539 30.300 -0.033 0.000 1.246 164 R HN 0.528 nan 8.270 nan 0.000 0.459 165 P HA 0.084 nan 4.420 nan 0.000 0.261 165 P C -1.149 176.153 177.300 0.003 0.000 1.203 165 P CA 0.251 63.349 63.100 -0.003 0.000 0.767 165 P CB 0.410 32.110 31.700 0.000 0.000 0.785 166 M N 2.995 122.600 119.600 0.008 0.000 2.134 166 M HA 0.533 5.012 4.480 -0.001 0.000 0.310 166 M C 0.293 176.621 176.300 0.046 0.000 0.966 166 M CA -0.248 55.070 55.300 0.030 0.000 0.922 166 M CB 1.548 34.170 32.600 0.037 0.000 1.537 166 M HN 0.453 nan 8.290 nan 0.000 0.424 167 G N 2.229 111.063 108.800 0.056 0.000 2.525 167 G HA2 0.319 4.278 3.960 -0.001 0.000 0.287 167 G HA3 0.319 4.278 3.960 -0.001 0.000 0.287 167 G C 0.261 175.220 174.900 0.098 0.000 1.350 167 G CA -0.691 44.443 45.100 0.056 0.000 1.039 167 G HN 0.769 nan 8.290 nan 0.000 0.513 168 L N 0.409 121.684 121.223 0.088 0.000 2.056 168 L HA 0.107 4.447 4.340 -0.001 0.000 0.207 168 L C 2.739 179.718 176.870 0.181 0.000 1.078 168 L CA 2.802 57.722 54.840 0.133 0.000 0.749 168 L CB -0.925 41.190 42.059 0.093 0.000 0.901 168 L HN 0.566 nan 8.230 nan 0.000 0.433 169 G N -1.179 107.700 108.800 0.132 0.000 2.422 169 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 169 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 169 G C 1.490 176.463 174.900 0.122 0.000 1.146 169 G CA 0.568 45.743 45.100 0.126 0.000 0.769 169 G HN 0.595 nan 8.290 nan 0.000 0.547 170 G N -0.223 108.647 108.800 0.117 0.000 2.402 170 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.216 170 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.216 170 G C 1.620 176.597 174.900 0.129 0.000 1.162 170 G CA 1.013 46.175 45.100 0.103 0.000 0.777 170 G HN 0.434 nan 8.290 nan 0.000 0.539 171 Y N 1.097 121.436 120.300 0.065 0.000 2.181 171 Y HA -0.027 4.523 4.550 -0.000 0.000 0.288 171 Y C 2.547 178.535 175.900 0.146 0.000 1.146 171 Y CA 1.362 59.517 58.100 0.091 0.000 1.164 171 Y CB -0.141 38.355 38.460 0.061 0.000 0.982 171 Y HN 0.092 nan 8.280 nan 0.000 0.515 172 L N 0.051 121.355 121.223 0.135 0.000 2.093 172 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 172 L C 2.592 179.437 176.870 -0.043 0.000 1.085 172 L CA 1.493 56.359 54.840 0.043 0.000 0.755 172 L CB -0.591 41.566 42.059 0.165 0.000 0.904 172 L HN 0.264 nan 8.230 nan 0.000 0.435 173 E N 0.053 120.264 120.200 0.019 0.000 2.106 173 E HA -0.262 4.088 4.350 -0.001 0.000 0.192 173 E C 2.074 178.676 176.600 0.003 0.000 0.984 173 E CA 1.342 57.750 56.400 0.013 0.000 0.806 173 E CB -0.147 29.583 29.700 0.050 0.000 0.750 173 E HN 0.515 nan 8.360 nan 0.000 0.458 174 Y N 1.180 121.400 120.300 -0.133 0.000 2.145 174 Y HA -0.179 4.371 4.550 -0.001 0.000 0.286 174 Y C 2.231 178.022 175.900 -0.182 0.000 1.145 174 Y CA 1.758 59.769 58.100 -0.148 0.000 1.148 174 Y CB 0.043 38.392 38.460 -0.184 0.000 0.981 174 Y HN -0.063 nan 8.280 nan 0.000 0.507 175 R N 1.009 121.357 120.500 -0.253 0.000 2.193 175 R HA -0.134 4.206 4.340 -0.001 0.000 0.229 175 R C 1.921 178.092 176.300 -0.214 0.000 1.110 175 R CA 1.372 57.301 56.100 -0.285 0.000 0.988 175 R CB -0.648 29.495 30.300 -0.262 0.000 0.871 175 R HN 0.609 nan 8.270 nan 0.000 0.458 176 E N 0.279 120.371 120.200 -0.179 0.000 2.153 176 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 176 E C 1.065 177.595 176.600 -0.116 0.000 0.988 176 E CA 0.994 57.310 56.400 -0.138 0.000 0.811 176 E CB 0.011 29.648 29.700 -0.105 0.000 0.746 176 E HN 0.226 nan 8.360 nan 0.000 0.466 177 R N 0.889 121.296 120.500 -0.155 0.000 2.466 177 R HA 0.086 4.426 4.340 -0.001 0.000 0.279 177 R C -0.423 175.773 176.300 -0.175 0.000 0.976 177 R CA -0.194 55.824 56.100 -0.137 0.000 1.081 177 R CB 0.165 30.388 30.300 -0.128 0.000 1.215 177 R HN 0.003 nan 8.270 nan 0.000 0.546 178 D N 0.661 120.947 120.400 -0.190 0.000 2.520 178 D HA -0.078 4.561 4.640 -0.001 0.000 0.243 178 D C 1.592 177.878 176.300 -0.022 0.000 1.160 178 D CA 0.068 53.980 54.000 -0.147 0.000 0.877 178 D CB 1.131 41.882 40.800 -0.081 0.000 1.150 178 D HN 0.019 nan 8.370 nan 0.000 0.494 179 V N 2.576 122.505 119.914 0.025 0.000 2.515 179 V HA -0.029 4.091 4.120 -0.001 0.000 0.250 179 V C 2.092 178.321 176.094 0.224 0.000 1.058 179 V CA 1.668 64.043 62.300 0.126 0.000 1.064 179 V CB -1.139 30.781 31.823 0.163 0.000 0.675 179 V HN 0.586 nan 8.190 nan 0.000 0.461 180 G N 0.572 109.548 108.800 0.294 0.000 2.421 180 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 180 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 180 G C 1.606 176.545 174.900 0.065 0.000 1.171 180 G CA 0.928 46.172 45.100 0.240 0.000 0.775 180 G HN 0.466 nan 8.290 nan 0.000 0.543 181 K N 0.997 121.447 120.400 0.084 0.000 2.148 181 K HA -0.015 4.305 4.320 -0.001 0.000 0.204 181 K C 2.295 178.933 176.600 0.063 0.000 1.050 181 K CA 0.962 57.292 56.287 0.072 0.000 0.942 181 K CB -0.379 32.158 32.500 0.061 0.000 0.724 181 K HN 0.529 nan 8.250 nan 0.000 0.446 182 E N 0.785 121.018 120.200 0.055 0.000 2.150 182 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 182 E C 1.960 178.587 176.600 0.044 0.000 0.985 182 E CA 0.538 56.971 56.400 0.056 0.000 0.814 182 E CB -0.213 29.516 29.700 0.049 0.000 0.752 182 E HN 0.055 nan 8.360 nan 0.000 0.466 183 L N 1.079 122.310 121.223 0.014 0.000 2.046 183 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 183 L C 2.036 178.886 176.870 -0.034 0.000 1.077 183 L CA 1.432 56.240 54.840 -0.053 0.000 0.747 183 L CB -0.387 41.554 42.059 -0.197 0.000 0.896 183 L HN 0.043 nan 8.230 nan 0.000 0.432 184 L N 0.017 121.249 121.223 0.015 0.000 2.083 184 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 184 L C 2.708 179.693 176.870 0.192 0.000 1.083 184 L CA 1.888 56.821 54.840 0.156 0.000 0.752 184 L CB -1.870 40.296 42.059 0.178 0.000 0.899 184 L HN 0.391 nan 8.230 nan 0.000 0.433 185 A N -0.636 122.267 122.820 0.139 0.000 1.845 185 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 185 A C 2.507 180.188 177.584 0.160 0.000 1.195 185 A CA 1.993 54.133 52.037 0.173 0.000 0.616 185 A CB -1.009 18.107 19.000 0.193 0.000 0.832 185 A HN 0.382 nan 8.150 nan 0.000 0.443 186 A N -0.679 122.192 122.820 0.085 0.000 1.877 186 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 186 A C 2.136 179.716 177.584 -0.006 0.000 1.186 186 A CA 1.841 53.901 52.037 0.038 0.000 0.620 186 A CB -0.706 18.293 19.000 -0.002 0.000 0.822 186 A HN 0.740 nan 8.150 nan 0.000 0.443 187 L N -0.679 120.500 121.223 -0.074 0.000 2.131 187 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 187 L C 2.404 179.055 176.870 -0.365 0.000 1.092 187 L CA 2.371 57.101 54.840 -0.183 0.000 0.759 187 L CB -0.477 41.461 42.059 -0.200 0.000 0.903 187 L HN 0.568 nan 8.230 nan 0.000 0.435 188 M N -1.305 118.059 119.600 -0.393 0.000 2.132 188 M HA -0.199 4.281 4.480 -0.001 0.000 0.263 188 M C 2.380 178.584 176.300 -0.160 0.000 1.065 188 M CA 1.490 56.484 55.300 -0.510 0.000 1.122 188 M CB -0.152 32.379 32.600 -0.114 0.000 1.365 188 M HN 0.197 nan 8.290 nan 0.000 0.411 189 R N -0.507 120.003 120.500 0.016 0.000 2.083 189 R HA -0.190 4.149 4.340 -0.001 0.000 0.237 189 R C 2.136 178.437 176.300 0.002 0.000 1.137 189 R CA 2.096 58.230 56.100 0.057 0.000 0.951 189 R CB -0.818 29.515 30.300 0.056 0.000 0.851 189 R HN 0.432 nan 8.270 nan 0.000 0.434 190 F N 1.576 121.446 119.950 -0.133 0.000 2.069 190 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 190 F C 2.288 178.002 175.800 -0.144 0.000 1.113 190 F CA 1.777 59.694 58.000 -0.139 0.000 1.214 190 F CB -0.332 38.558 39.000 -0.183 0.000 0.978 190 F HN -0.131 nan 8.300 nan 0.000 0.474 191 S N 0.326 115.928 115.700 -0.163 0.000 2.419 191 S HA -0.182 4.287 4.470 -0.001 0.000 0.235 191 S C 1.708 176.180 174.600 -0.213 0.000 1.019 191 S CA 1.683 59.737 58.200 -0.245 0.000 0.982 191 S CB -0.377 62.638 63.200 -0.308 0.000 0.789 191 S HN 0.444 nan 8.310 nan 0.000 0.490 192 M N 0.082 119.587 119.600 -0.158 0.000 2.383 192 M HA 0.248 4.728 4.480 -0.001 0.000 0.247 192 M C 1.287 177.536 176.300 -0.084 0.000 1.117 192 M CA 0.151 55.408 55.300 -0.072 0.000 0.995 192 M CB 0.390 32.989 32.600 -0.002 0.000 1.480 192 M HN 0.345 nan 8.290 nan 0.000 0.485 193 G N 2.056 110.756 108.800 -0.165 0.000 2.258 193 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.274 193 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.274 193 G C -0.041 174.818 174.900 -0.068 0.000 1.021 193 G CA 0.007 45.023 45.100 -0.140 0.000 0.798 193 G HN 0.458 nan 8.290 nan 0.000 0.507 194 L N 0.130 121.328 121.223 -0.042 0.000 2.315 194 L HA 0.291 4.631 4.340 -0.001 0.000 0.283 194 L C 0.743 177.591 176.870 -0.036 0.000 1.089 194 L CA -0.025 54.805 54.840 -0.017 0.000 0.833 194 L CB 0.784 42.861 42.059 0.030 0.000 1.170 194 L HN 0.063 nan 8.230 nan 0.000 0.442 195 K N 5.080 125.458 120.400 -0.038 0.000 2.299 195 K HA 0.411 4.730 4.320 -0.001 0.000 0.268 195 K C -0.937 175.628 176.600 -0.058 0.000 1.075 195 K CA -0.739 55.522 56.287 -0.042 0.000 0.936 195 K CB 1.189 33.671 32.500 -0.030 0.000 1.228 195 K HN 0.329 nan 8.250 nan 0.000 0.454 196 L N 2.298 123.466 121.223 -0.091 0.000 2.325 196 L HA 0.272 4.612 4.340 -0.001 0.000 0.279 196 L C 0.945 177.766 176.870 -0.083 0.000 1.054 196 L CA -0.165 54.607 54.840 -0.113 0.000 0.804 196 L CB 1.177 43.110 42.059 -0.210 0.000 1.200 196 L HN 0.614 nan 8.230 nan 0.000 0.436 197 S N 3.137 118.797 115.700 -0.067 0.000 2.610 197 S HA 0.392 4.862 4.470 -0.001 0.000 0.273 197 S C -1.552 173.017 174.600 -0.053 0.000 1.274 197 S CA -1.023 57.149 58.200 -0.048 0.000 1.023 197 S CB 1.193 64.372 63.200 -0.035 0.000 0.962 197 S HN 0.578 nan 8.310 nan 0.000 0.523 198 P HA -0.142 nan 4.420 nan 0.000 0.218 198 P C 1.474 178.755 177.300 -0.032 0.000 1.146 198 P CA 1.237 64.315 63.100 -0.036 0.000 0.813 198 P CB -0.003 31.683 31.700 -0.023 0.000 0.778 199 S N -0.099 115.584 115.700 -0.029 0.000 2.355 199 S HA -0.141 4.328 4.470 -0.001 0.000 0.222 199 S C 1.926 176.509 174.600 -0.028 0.000 1.031 199 S CA 1.264 59.450 58.200 -0.023 0.000 0.993 199 S CB -0.542 62.647 63.200 -0.018 0.000 0.859 199 S HN 0.194 nan 8.310 nan 0.000 0.453 200 E N 0.532 120.706 120.200 -0.042 0.000 2.072 200 E HA 0.037 4.386 4.350 -0.001 0.000 0.190 200 E C 1.439 177.995 176.600 -0.073 0.000 0.982 200 E CA 0.694 57.062 56.400 -0.053 0.000 0.803 200 E CB -0.192 29.466 29.700 -0.071 0.000 0.755 200 E HN 0.405 nan 8.360 nan 0.000 0.453 201 L N 1.044 122.211 121.223 -0.093 0.000 2.798 201 L HA -0.094 4.246 4.340 -0.001 0.000 0.254 201 L C 1.405 178.246 176.870 -0.047 0.000 1.176 201 L CA 0.330 55.108 54.840 -0.104 0.000 0.991 201 L CB 0.122 42.116 42.059 -0.109 0.000 1.225 201 L HN 0.119 nan 8.230 nan 0.000 0.420 202 Q N -1.464 118.318 119.800 -0.029 0.000 2.279 202 Q HA 0.121 4.461 4.340 -0.001 0.000 0.261 202 Q C 1.782 177.784 176.000 0.003 0.000 0.796 202 Q CA 0.163 55.961 55.803 -0.009 0.000 0.971 202 Q CB 0.521 29.254 28.738 -0.009 0.000 1.179 202 Q HN 0.184 nan 8.270 nan 0.000 0.505 203 R N -0.197 120.303 120.500 -0.001 0.000 2.276 203 R HA 0.032 4.371 4.340 -0.001 0.000 0.203 203 R C 1.158 177.477 176.300 0.031 0.000 1.017 203 R CA 1.331 57.438 56.100 0.011 0.000 1.010 203 R CB 0.372 30.675 30.300 0.005 0.000 0.900 203 R HN 0.169 nan 8.270 nan 0.000 0.469 204 V N -3.482 116.459 119.914 0.044 0.000 3.427 204 V HA 0.205 4.325 4.120 -0.001 0.000 0.305 204 V C 1.516 177.667 176.094 0.096 0.000 1.412 204 V CA -0.213 62.143 62.300 0.095 0.000 1.086 204 V CB 0.125 32.057 31.823 0.182 0.000 0.964 204 V HN 0.010 nan 8.190 nan 0.000 0.439 205 R N 1.004 121.539 120.500 0.059 0.000 2.119 205 R HA -0.203 4.136 4.340 -0.001 0.000 0.246 205 R C 2.188 178.519 176.300 0.051 0.000 1.146 205 R CA 2.523 58.653 56.100 0.050 0.000 0.962 205 R CB -0.188 30.130 30.300 0.031 0.000 0.863 205 R HN 0.661 nan 8.270 nan 0.000 0.442 206 E N 0.239 120.471 120.200 0.053 0.000 2.072 206 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 206 E C 2.052 178.693 176.600 0.069 0.000 0.982 206 E CA 0.879 57.311 56.400 0.052 0.000 0.803 206 E CB 0.009 29.741 29.700 0.053 0.000 0.755 206 E HN 0.324 nan 8.360 nan 0.000 0.453 207 I N 1.512 122.139 120.570 0.096 0.000 2.286 207 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 207 I C 1.763 177.950 176.117 0.116 0.000 1.115 207 I CA 0.946 62.331 61.300 0.141 0.000 1.392 207 I CB -0.291 37.807 38.000 0.163 0.000 1.065 207 I HN 0.054 nan 8.210 nan 0.000 0.418 208 D N 1.147 121.610 120.400 0.104 0.000 2.117 208 D HA -0.103 4.537 4.640 -0.001 0.000 0.198 208 D C 2.280 178.593 176.300 0.021 0.000 0.982 208 D CA 1.542 55.589 54.000 0.079 0.000 0.828 208 D CB -0.090 40.778 40.800 0.113 0.000 0.967 208 D HN 0.304 nan 8.370 nan 0.000 0.464 209 A N 0.906 123.728 122.820 0.003 0.000 1.930 209 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 209 A C 2.001 179.513 177.584 -0.121 0.000 1.175 209 A CA 1.412 53.419 52.037 -0.051 0.000 0.627 209 A CB -0.621 18.355 19.000 -0.040 0.000 0.815 209 A HN 0.217 nan 8.150 nan 0.000 0.443 210 N N -0.279 118.366 118.700 -0.091 0.000 2.188 210 N HA -0.164 4.575 4.740 -0.001 0.000 0.184 210 N C 1.925 177.357 175.510 -0.130 0.000 1.018 210 N CA 1.621 54.571 53.050 -0.165 0.000 0.858 210 N CB -0.350 38.144 38.487 0.011 0.000 0.989 210 N HN 0.536 nan 8.380 nan 0.000 0.426 211 C N 0.080 119.356 119.300 -0.040 0.000 2.476 211 C HA 0.045 4.504 4.460 -0.001 0.000 0.278 211 C C 3.178 178.168 174.990 -0.001 0.000 1.274 211 C CA 1.416 60.418 59.018 -0.026 0.000 1.713 211 C CB -1.375 26.334 27.740 -0.053 0.000 2.039 211 C HN 0.539 nan 8.230 nan 0.000 0.484 212 S N -0.076 115.604 115.700 -0.033 0.000 2.383 212 S HA -0.239 4.230 4.470 -0.001 0.000 0.229 212 S C 2.087 176.644 174.600 -0.070 0.000 1.030 212 S CA 2.145 60.330 58.200 -0.026 0.000 1.002 212 S CB -0.528 62.646 63.200 -0.044 0.000 0.829 212 S HN 0.753 nan 8.310 nan 0.000 0.467 213 K N -0.127 120.151 120.400 -0.204 0.000 2.057 213 K HA -0.148 4.171 4.320 -0.001 0.000 0.206 213 K C 2.357 178.801 176.600 -0.261 0.000 1.050 213 K CA 1.483 57.546 56.287 -0.373 0.000 0.935 213 K CB -0.397 31.626 32.500 -0.795 0.000 0.715 213 K HN 0.524 nan 8.250 nan 0.000 0.439 214 H N 0.913 119.843 119.070 -0.234 0.000 2.321 214 H HA -0.110 4.446 4.556 -0.001 0.000 0.300 214 H C 1.969 177.370 175.328 0.121 0.000 1.087 214 H CA 1.798 57.904 56.048 0.096 0.000 1.319 214 H CB -0.088 29.779 29.762 0.175 0.000 1.379 214 H HN 0.168 nan 8.280 nan 0.000 0.501 215 L N -0.087 121.296 121.223 0.268 0.000 2.046 215 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 215 L C 2.900 179.880 176.870 0.183 0.000 1.077 215 L CA 1.318 56.304 54.840 0.243 0.000 0.747 215 L CB -0.465 41.718 42.059 0.206 0.000 0.896 215 L HN 0.171 nan 8.230 nan 0.000 0.432 216 S N -0.544 115.232 115.700 0.127 0.000 2.356 216 S HA -0.137 4.333 4.470 -0.001 0.000 0.223 216 S C 2.005 176.695 174.600 0.150 0.000 1.032 216 S CA 1.222 59.504 58.200 0.137 0.000 1.005 216 S CB -0.176 63.074 63.200 0.082 0.000 0.867 216 S HN 0.158 nan 8.310 nan 0.000 0.449 217 V N 1.327 121.314 119.914 0.122 0.000 2.427 217 V HA -0.089 4.030 4.120 -0.001 0.000 0.248 217 V C 2.261 178.336 176.094 -0.030 0.000 1.051 217 V CA 1.140 63.504 62.300 0.106 0.000 1.048 217 V CB -0.627 31.332 31.823 0.227 0.000 0.666 217 V HN 0.311 nan 8.190 nan 0.000 0.456 218 V N 0.742 120.624 119.914 -0.052 0.000 2.343 218 V HA -0.290 3.829 4.120 -0.001 0.000 0.247 218 V C 2.096 178.262 176.094 0.119 0.000 1.051 218 V CA 2.467 64.723 62.300 -0.074 0.000 1.036 218 V CB -0.955 30.877 31.823 0.014 0.000 0.654 218 V HN 0.654 nan 8.190 nan 0.000 0.451 219 N N -0.081 118.734 118.700 0.192 0.000 2.084 219 N HA -0.188 4.552 4.740 -0.001 0.000 0.190 219 N C 1.513 177.030 175.510 0.011 0.000 1.030 219 N CA 1.427 54.628 53.050 0.251 0.000 0.849 219 N CB -0.193 38.494 38.487 0.332 0.000 1.012 219 N HN 0.444 nan 8.380 nan 0.000 0.423 220 D N 1.116 121.524 120.400 0.013 0.000 2.116 220 D HA -0.130 4.509 4.640 -0.001 0.000 0.193 220 D C 1.908 178.120 176.300 -0.147 0.000 0.998 220 D CA 0.823 54.793 54.000 -0.050 0.000 0.836 220 D CB -0.306 40.493 40.800 -0.001 0.000 0.951 220 D HN 0.287 nan 8.370 nan 0.000 0.449 221 I N -0.421 120.011 120.570 -0.229 0.000 2.208 221 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 221 I C 1.837 177.665 176.117 -0.481 0.000 1.097 221 I CA 1.217 62.267 61.300 -0.417 0.000 1.363 221 I CB -0.186 37.405 38.000 -0.682 0.000 1.051 221 I HN 0.064 nan 8.210 nan 0.000 0.413 222 Y N -0.193 119.986 120.300 -0.201 0.000 2.490 222 Y HA -0.075 4.475 4.550 -0.001 0.000 0.285 222 Y C 2.676 178.286 175.900 -0.484 0.000 1.117 222 Y CA 0.865 58.846 58.100 -0.198 0.000 1.262 222 Y CB -0.063 38.388 38.460 -0.016 0.000 1.043 222 Y HN 0.183 nan 8.280 nan 0.000 0.553 223 S N -1.787 113.509 115.700 -0.673 0.000 2.535 223 S HA -0.107 4.362 4.470 -0.001 0.000 0.214 223 S C 1.685 176.059 174.600 -0.375 0.000 0.980 223 S CA -0.221 57.451 58.200 -0.879 0.000 0.907 223 S CB -0.759 61.800 63.200 -1.068 0.000 0.790 223 S HN 0.471 nan 8.310 nan 0.000 0.510 224 Y N 3.225 123.326 120.300 -0.333 0.000 2.069 224 Y HA -0.224 4.325 4.550 -0.001 0.000 0.278 224 Y C 2.269 178.045 175.900 -0.206 0.000 1.175 224 Y CA 2.394 60.348 58.100 -0.242 0.000 1.134 224 Y CB -0.367 37.967 38.460 -0.211 0.000 0.965 224 Y HN 0.192 nan 8.280 nan 0.000 0.498 225 E N 0.630 120.735 120.200 -0.158 0.000 2.023 225 E HA -0.268 4.081 4.350 -0.001 0.000 0.196 225 E C 2.212 178.652 176.600 -0.268 0.000 1.003 225 E CA 1.687 57.973 56.400 -0.191 0.000 0.809 225 E CB -0.682 28.995 29.700 -0.038 0.000 0.755 225 E HN 0.521 nan 8.360 nan 0.000 0.449 226 K N 1.070 121.335 120.400 -0.225 0.000 2.020 226 K HA -0.221 4.098 4.320 -0.001 0.000 0.212 226 K C 2.054 178.243 176.600 -0.685 0.000 1.050 226 K CA 1.924 58.043 56.287 -0.280 0.000 0.929 226 K CB -0.094 32.310 32.500 -0.161 0.000 0.714 226 K HN 0.069 nan 8.250 nan 0.000 0.443 227 E N 0.327 120.133 120.200 -0.656 0.000 2.130 227 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 227 E C 1.834 178.075 176.600 -0.598 0.000 0.998 227 E CA 1.124 57.095 56.400 -0.715 0.000 0.806 227 E CB -0.160 29.282 29.700 -0.429 0.000 0.738 227 E HN 0.226 nan 8.360 nan 0.000 0.459 228 L N 1.392 122.283 121.223 -0.554 0.000 2.549 228 L HA -0.145 4.195 4.340 -0.001 0.000 0.230 228 L C 1.485 178.281 176.870 -0.123 0.000 1.162 228 L CA 1.010 55.611 54.840 -0.399 0.000 0.834 228 L CB -0.736 41.011 42.059 -0.520 0.000 0.947 228 L HN 0.253 nan 8.230 nan 0.000 0.452 229 Y N -2.457 117.763 120.300 -0.134 0.000 2.497 229 Y HA 0.162 4.712 4.550 -0.001 0.000 0.345 229 Y C 0.909 176.772 175.900 -0.061 0.000 1.204 229 Y CA -0.281 57.771 58.100 -0.079 0.000 1.265 229 Y CB -0.846 37.581 38.460 -0.056 0.000 1.121 229 Y HN 0.176 nan 8.280 nan 0.000 0.493 241 L N 1.230 122.453 121.223 0.001 0.000 1.909 241 L HA -0.061 4.279 4.340 -0.001 0.000 0.216 241 L C 0.963 177.843 176.870 0.017 0.000 1.097 241 L CA 1.644 56.479 54.840 -0.008 0.000 0.777 241 L CB -0.137 41.904 42.059 -0.029 0.000 0.887 241 L HN 0.719 nan 8.230 nan 0.000 0.432 242 C N 0.906 120.207 119.300 0.002 0.000 4.300 242 C HA -0.089 4.371 4.460 -0.001 0.000 0.324 242 C C 0.313 175.295 174.990 -0.014 0.000 1.062 242 C CA 0.325 59.353 59.018 0.017 0.000 2.472 242 C CB -2.147 25.646 27.740 0.089 0.000 1.280 242 C HN 0.765 nan 8.230 nan 0.000 0.639 243 T N 1.559 115.980 114.554 -0.223 0.000 2.909 243 T HA 0.644 4.993 4.350 -0.001 0.000 0.299 243 T C 1.107 175.412 174.700 -0.658 0.000 1.073 243 T CA 0.432 62.315 62.100 -0.360 0.000 0.999 243 T CB 1.604 70.434 68.868 -0.063 0.000 1.098 243 T HN 1.560 nan 8.240 nan 0.000 0.477 244 S N 2.595 117.812 115.700 -0.805 0.000 2.400 244 S HA -0.108 4.362 4.470 -0.001 0.000 0.232 244 S C 1.975 176.403 174.600 -0.287 0.000 1.025 244 S CA 1.637 59.528 58.200 -0.516 0.000 0.993 244 S CB -0.891 62.233 63.200 -0.127 0.000 0.808 244 S HN 0.572 nan 8.310 nan 0.000 0.478 245 V N 2.354 122.109 119.914 -0.265 0.000 2.255 245 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 245 V C 2.984 178.882 176.094 -0.327 0.000 1.051 245 V CA 2.354 64.450 62.300 -0.340 0.000 1.018 245 V CB -1.038 30.480 31.823 -0.508 0.000 0.641 245 V HN 0.620 nan 8.190 nan 0.000 0.445 246 Q N -0.459 119.218 119.800 -0.206 0.000 2.079 246 Q HA -0.169 4.171 4.340 -0.001 0.000 0.200 246 Q C 2.240 178.170 176.000 -0.116 0.000 0.974 246 Q CA 1.846 57.593 55.803 -0.094 0.000 0.840 246 Q CB -0.148 28.621 28.738 0.052 0.000 0.898 246 Q HN 0.661 nan 8.270 nan 0.000 0.430 247 I N 0.547 121.020 120.570 -0.161 0.000 2.226 247 I HA -0.272 3.897 4.170 -0.001 0.000 0.245 247 I C 2.279 178.336 176.117 -0.100 0.000 1.100 247 I CA 0.644 61.866 61.300 -0.131 0.000 1.374 247 I CB -0.220 37.671 38.000 -0.181 0.000 1.057 247 I HN 0.312 nan 8.210 nan 0.000 0.413 248 L N 1.022 122.174 121.223 -0.120 0.000 2.156 248 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 248 L C 2.485 179.300 176.870 -0.091 0.000 1.095 248 L CA 1.754 56.540 54.840 -0.089 0.000 0.770 248 L CB -0.682 41.322 42.059 -0.092 0.000 0.914 248 L HN 0.139 nan 8.230 nan 0.000 0.439 249 A N -0.981 121.768 122.820 -0.120 0.000 1.933 249 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 249 A C 2.171 179.713 177.584 -0.070 0.000 1.175 249 A CA 1.762 53.734 52.037 -0.107 0.000 0.628 249 A CB -0.444 18.471 19.000 -0.141 0.000 0.814 249 A HN 0.648 nan 8.150 nan 0.000 0.444 250 Q N -0.622 119.142 119.800 -0.060 0.000 2.137 250 Q HA -0.108 4.232 4.340 -0.001 0.000 0.198 250 Q C 1.883 177.863 176.000 -0.032 0.000 0.960 250 Q CA 1.245 57.025 55.803 -0.039 0.000 0.847 250 Q CB -0.132 28.587 28.738 -0.032 0.000 0.915 250 Q HN 0.731 nan 8.270 nan 0.000 0.448 251 E N 0.647 120.826 120.200 -0.034 0.000 2.106 251 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 251 E C 1.568 178.153 176.600 -0.025 0.000 0.984 251 E CA 1.084 57.470 56.400 -0.023 0.000 0.806 251 E CB 0.028 29.718 29.700 -0.017 0.000 0.750 251 E HN 0.279 nan 8.360 nan 0.000 0.458 252 A N 1.052 123.851 122.820 -0.034 0.000 2.267 252 A HA -0.014 4.305 4.320 -0.001 0.000 0.213 252 A C 0.420 177.984 177.584 -0.034 0.000 1.192 252 A CA 0.225 52.242 52.037 -0.034 0.000 0.851 252 A CB 0.307 19.283 19.000 -0.041 0.000 0.881 252 A HN 0.150 nan 8.150 nan 0.000 0.494 253 D N -0.432 119.946 120.400 -0.035 0.000 2.705 253 D HA -0.128 4.511 4.640 -0.001 0.000 0.240 253 D C -0.088 176.190 176.300 -0.037 0.000 1.137 253 D CA 1.111 55.092 54.000 -0.032 0.000 0.677 253 D CB -1.740 39.046 40.800 -0.024 0.000 1.049 253 D HN 0.937 nan 8.370 nan 0.000 0.427 254 V N -2.312 117.573 119.914 -0.048 0.000 3.141 254 V HA 0.871 4.990 4.120 -0.001 0.000 0.312 254 V C 1.050 177.104 176.094 -0.067 0.000 1.157 254 V CA -0.198 62.069 62.300 -0.054 0.000 1.041 254 V CB 1.576 33.362 31.823 -0.061 0.000 1.071 254 V HN 0.316 nan 8.190 nan 0.000 0.441 255 T N -0.733 113.781 114.554 -0.066 0.000 2.748 255 T HA 0.506 4.856 4.350 -0.001 0.000 0.304 255 T C 1.383 176.005 174.700 -0.130 0.000 1.041 255 T CA 0.336 62.391 62.100 -0.075 0.000 1.033 255 T CB 1.019 69.852 68.868 -0.058 0.000 0.995 255 T HN 1.669 nan 8.240 nan 0.000 0.536 256 A N 0.624 123.341 122.820 -0.172 0.000 1.933 256 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 256 A C 2.361 179.762 177.584 -0.306 0.000 1.175 256 A CA 1.170 52.992 52.037 -0.359 0.000 0.628 256 A CB -0.815 17.855 19.000 -0.550 0.000 0.814 256 A HN 0.873 nan 8.150 nan 0.000 0.444 257 E N -0.051 120.041 120.200 -0.179 0.000 2.110 257 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 257 E C 2.286 178.815 176.600 -0.119 0.000 0.988 257 E CA 1.244 57.564 56.400 -0.133 0.000 0.804 257 E CB -0.532 29.123 29.700 -0.074 0.000 0.745 257 E HN 0.585 nan 8.360 nan 0.000 0.458 258 A N 1.089 123.844 122.820 -0.109 0.000 1.929 258 A HA 0.033 4.353 4.320 -0.001 0.000 0.216 258 A C 2.368 179.888 177.584 -0.106 0.000 1.176 258 A CA 1.606 53.590 52.037 -0.089 0.000 0.628 258 A CB -0.389 18.567 19.000 -0.074 0.000 0.816 258 A HN 0.244 nan 8.150 nan 0.000 0.444 259 A N 0.018 122.750 122.820 -0.147 0.000 1.969 259 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 259 A C 2.077 179.557 177.584 -0.174 0.000 1.169 259 A CA 1.714 53.652 52.037 -0.164 0.000 0.635 259 A CB -0.365 18.506 19.000 -0.216 0.000 0.810 259 A HN 0.540 nan 8.150 nan 0.000 0.445 260 K N -0.433 119.846 120.400 -0.201 0.000 2.026 260 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 260 K C 2.304 178.855 176.600 -0.082 0.000 1.048 260 K CA 1.528 57.696 56.287 -0.198 0.000 0.929 260 K CB -0.204 32.162 32.500 -0.223 0.000 0.713 260 K HN 0.420 nan 8.250 nan 0.000 0.439 261 R N 0.552 121.027 120.500 -0.041 0.000 2.080 261 R HA -0.122 4.217 4.340 -0.001 0.000 0.236 261 R C 2.352 178.657 176.300 0.007 0.000 1.137 261 R CA 1.518 57.629 56.100 0.018 0.000 0.943 261 R CB -0.724 29.565 30.300 -0.019 0.000 0.846 261 R HN -0.006 nan 8.270 nan 0.000 0.431 262 V N 1.626 121.513 119.914 -0.044 0.000 2.392 262 V HA -0.231 3.889 4.120 -0.001 0.000 0.249 262 V C 2.324 178.372 176.094 -0.076 0.000 1.059 262 V CA 1.668 63.931 62.300 -0.061 0.000 1.051 262 V CB -0.465 31.314 31.823 -0.073 0.000 0.658 262 V HN 0.288 nan 8.190 nan 0.000 0.455 263 L N -1.569 119.602 121.223 -0.086 0.000 2.093 263 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 263 L C 2.329 179.144 176.870 -0.090 0.000 1.085 263 L CA 1.713 56.486 54.840 -0.113 0.000 0.755 263 L CB -0.479 41.501 42.059 -0.132 0.000 0.904 263 L HN 0.267 nan 8.230 nan 0.000 0.435 264 F N -0.538 119.331 119.950 -0.135 0.000 2.171 264 F HA -0.246 4.280 4.527 -0.001 0.000 0.300 264 F C 2.291 178.010 175.800 -0.135 0.000 1.090 264 F CA 0.775 58.705 58.000 -0.116 0.000 1.293 264 F CB 0.193 39.136 39.000 -0.095 0.000 1.013 264 F HN -0.192 nan 8.300 nan 0.000 0.486 265 V N -0.087 119.868 119.914 0.070 0.000 2.379 265 V HA -0.349 3.770 4.120 -0.001 0.000 0.245 265 V C 2.241 178.240 176.094 -0.158 0.000 1.044 265 V CA 1.762 64.035 62.300 -0.045 0.000 1.036 265 V CB -0.459 31.321 31.823 -0.073 0.000 0.664 265 V HN 0.361 nan 8.190 nan 0.000 0.453 266 M N -0.879 118.561 119.600 -0.266 0.000 2.144 266 M HA -0.263 4.216 4.480 -0.001 0.000 0.260 266 M C 2.258 178.079 176.300 -0.799 0.000 1.067 266 M CA 1.995 56.937 55.300 -0.597 0.000 1.095 266 M CB -0.432 31.756 32.600 -0.688 0.000 1.365 266 M HN 0.474 nan 8.290 nan 0.000 0.406 267 C N -0.315 118.772 119.300 -0.355 0.000 2.446 267 C HA -0.094 4.365 4.460 -0.001 0.000 0.277 267 C C 2.569 177.645 174.990 0.143 0.000 1.275 267 C CA 0.605 59.630 59.018 0.011 0.000 1.727 267 C CB -1.139 26.614 27.740 0.022 0.000 2.010 267 C HN 0.490 nan 8.230 nan 0.000 0.486 268 R N 1.151 121.674 120.500 0.039 0.000 2.152 268 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 268 R C 1.867 178.131 176.300 -0.060 0.000 1.117 268 R CA 0.934 57.028 56.100 -0.011 0.000 0.981 268 R CB -0.694 29.576 30.300 -0.050 0.000 0.870 268 R HN 0.612 nan 8.270 nan 0.000 0.451 269 E N -0.906 119.208 120.200 -0.144 0.000 2.152 269 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 269 E C 1.794 178.377 176.600 -0.027 0.000 0.983 269 E CA 0.488 56.797 56.400 -0.151 0.000 0.818 269 E CB -0.047 29.486 29.700 -0.279 0.000 0.758 269 E HN 0.357 nan 8.360 nan 0.000 0.467 270 W N 1.499 122.859 121.300 0.101 0.000 2.518 270 W HA 0.013 4.673 4.660 -0.000 0.000 0.273 270 W C 1.864 178.447 176.519 0.107 0.000 1.247 270 W CA 0.299 57.723 57.345 0.132 0.000 1.288 270 W CB -0.495 29.085 29.460 0.202 0.000 1.107 270 W HN 0.223 nan 8.180 nan 0.000 0.586 271 E N 0.132 120.456 120.200 0.206 0.000 2.051 271 E HA -0.220 4.129 4.350 -0.001 0.000 0.192 271 E C 2.122 178.747 176.600 0.041 0.000 0.991 271 E CA 1.243 57.582 56.400 -0.101 0.000 0.799 271 E CB -0.548 28.794 29.700 -0.595 0.000 0.748 271 E HN -0.015 nan 8.360 nan 0.000 0.449 272 L N 1.458 122.693 121.223 0.019 0.000 2.012 272 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 272 L C 2.365 179.307 176.870 0.119 0.000 1.073 272 L CA 1.787 56.658 54.840 0.052 0.000 0.748 272 L CB -0.430 41.638 42.059 0.014 0.000 0.891 272 L HN -0.041 nan 8.230 nan 0.000 0.431 273 R N -1.903 118.694 120.500 0.162 0.000 2.120 273 R HA -0.252 4.088 4.340 -0.001 0.000 0.234 273 R C 2.387 178.803 176.300 0.192 0.000 1.123 273 R CA 1.574 57.781 56.100 0.178 0.000 0.975 273 R CB -0.390 30.058 30.300 0.246 0.000 0.866 273 R HN 0.609 nan 8.270 nan 0.000 0.446 274 H N 0.513 119.679 119.070 0.161 0.000 2.293 274 H HA -0.099 4.457 4.556 -0.001 0.000 0.300 274 H C 1.851 177.258 175.328 0.130 0.000 1.082 274 H CA 2.395 58.537 56.048 0.156 0.000 1.308 274 H CB -0.092 29.816 29.762 0.243 0.000 1.375 274 H HN 0.319 nan 8.280 nan 0.000 0.495 275 Q N -0.203 119.665 119.800 0.113 0.000 2.170 275 Q HA -0.114 4.226 4.340 -0.001 0.000 0.203 275 Q C 2.510 178.495 176.000 -0.025 0.000 0.976 275 Q CA 1.451 57.265 55.803 0.018 0.000 0.858 275 Q CB 0.030 28.851 28.738 0.137 0.000 0.907 275 Q HN 0.500 nan 8.270 nan 0.000 0.433 276 L N 0.074 121.306 121.223 0.015 0.000 2.044 276 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 276 L C 2.208 179.072 176.870 -0.010 0.000 1.075 276 L CA 0.816 55.663 54.840 0.012 0.000 0.747 276 L CB -0.335 41.746 42.059 0.038 0.000 0.903 276 L HN 0.274 nan 8.230 nan 0.000 0.435 277 L N -0.740 120.474 121.223 -0.014 0.000 2.353 277 L HA -0.167 4.172 4.340 -0.001 0.000 0.220 277 L C 2.273 179.104 176.870 -0.064 0.000 1.133 277 L CA 0.542 55.370 54.840 -0.019 0.000 0.798 277 L CB -0.316 41.749 42.059 0.010 0.000 0.922 277 L HN 0.130 nan 8.230 nan 0.000 0.445 278 V N -0.364 119.470 119.914 -0.134 0.000 2.283 278 V HA -0.112 4.007 4.120 -0.001 0.000 0.239 278 V C 2.687 178.739 176.094 -0.070 0.000 1.035 278 V CA 1.462 63.677 62.300 -0.141 0.000 1.018 278 V CB -0.756 30.920 31.823 -0.245 0.000 0.658 278 V HN 0.409 nan 8.190 nan 0.000 0.459 279 A N 0.299 123.086 122.820 -0.056 0.000 1.958 279 A HA -0.341 3.979 4.320 -0.001 0.000 0.221 279 A C 2.347 179.921 177.584 -0.016 0.000 1.178 279 A CA 2.652 54.673 52.037 -0.026 0.000 0.642 279 A CB -0.653 18.339 19.000 -0.013 0.000 0.816 279 A HN 0.527 nan 8.150 nan 0.000 0.453 280 R N -0.978 119.513 120.500 -0.015 0.000 2.061 280 R HA -0.083 4.257 4.340 -0.001 0.000 0.230 280 R C 2.105 178.402 176.300 -0.006 0.000 1.140 280 R CA 1.576 57.673 56.100 -0.005 0.000 0.940 280 R CB -0.533 29.768 30.300 0.001 0.000 0.839 280 R HN 0.400 nan 8.270 nan 0.000 0.429 281 L N 1.080 122.297 121.223 -0.010 0.000 2.021 281 L HA -0.287 4.053 4.340 -0.001 0.000 0.215 281 L C 2.436 179.303 176.870 -0.005 0.000 1.074 281 L CA 2.550 57.387 54.840 -0.005 0.000 0.760 281 L CB -0.659 41.396 42.059 -0.006 0.000 0.889 281 L HN 0.478 nan 8.230 nan 0.000 0.433 282 S N -0.522 115.172 115.700 -0.010 0.000 2.351 282 S HA -0.227 4.243 4.470 -0.001 0.000 0.220 282 S C 2.171 176.769 174.600 -0.003 0.000 1.035 282 S CA 1.174 59.370 58.200 -0.007 0.000 1.031 282 S CB -1.363 61.832 63.200 -0.009 0.000 0.928 282 S HN 0.544 nan 8.310 nan 0.000 0.433 283 A N 2.430 125.248 122.820 -0.003 0.000 1.986 283 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 283 A C 1.752 179.336 177.584 0.001 0.000 1.171 283 A CA 1.419 53.456 52.037 -0.001 0.000 0.640 283 A CB -0.585 18.415 19.000 0.000 0.000 0.811 283 A HN 0.650 nan 8.150 nan 0.000 0.451 284 E N -0.857 119.344 120.200 0.001 0.000 4.599 284 E HA 0.177 4.526 4.350 -0.001 0.000 0.511 284 E C 1.210 177.811 176.600 0.001 0.000 1.366 284 E CA 0.459 56.860 56.400 0.002 0.000 3.281 284 E CB -0.661 29.041 29.700 0.003 0.000 1.717 284 E HN 0.222 nan 8.360 nan 0.000 0.617 285 G N 0.661 109.462 108.800 0.002 0.000 3.180 285 G HA2 0.221 4.181 3.960 -0.001 0.000 0.246 285 G HA3 0.221 4.181 3.960 -0.001 0.000 0.246 285 G C 0.267 175.167 174.900 -0.000 0.000 0.939 285 G CA -0.012 45.088 45.100 0.001 0.000 1.920 285 G HN 0.252 nan 8.290 nan 0.000 0.612 286 L N -2.113 119.110 121.223 -0.000 0.000 0.596 286 L HA -0.238 4.101 4.340 -0.001 0.000 0.356 286 L C 1.017 177.887 176.870 -0.000 0.000 1.005 286 L CA 0.720 55.559 54.840 -0.001 0.000 1.223 286 L CB -0.505 41.554 42.059 -0.001 0.000 0.021 286 L HN 0.576 nan 8.230 nan 0.000 0.096 287 E N 1.277 121.476 120.200 -0.000 0.000 1.994 287 E HA 0.207 4.557 4.350 -0.001 0.000 0.197 287 E C -0.022 176.580 176.600 0.003 0.000 0.982 287 E CA 1.290 57.691 56.400 0.002 0.000 0.855 287 E CB 0.089 29.790 29.700 0.002 0.000 0.806 287 E HN 0.823 nan 8.360 nan 0.000 0.495 288 T N -1.335 113.221 114.554 0.004 0.000 3.110 288 T HA -0.044 4.306 4.350 -0.001 0.000 0.349 288 T C -2.497 172.207 174.700 0.007 0.000 1.756 288 T CA -0.539 61.562 62.100 0.002 0.000 1.010 288 T CB 0.438 69.305 68.868 -0.002 0.000 1.937 288 T HN 0.054 nan 8.240 nan 0.000 0.530 289 P HA 0.011 nan 4.420 nan 0.000 0.219 289 P C 1.492 178.803 177.300 0.018 0.000 1.150 289 P CA 1.607 64.713 63.100 0.010 0.000 0.814 289 P CB -0.213 31.491 31.700 0.006 0.000 0.787 290 G N 0.821 109.629 108.800 0.013 0.000 2.404 290 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.215 290 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.215 290 G C 1.739 176.670 174.900 0.052 0.000 1.174 290 G CA 0.340 45.452 45.100 0.020 0.000 0.780 290 G HN 0.196 nan 8.290 nan 0.000 0.537 291 L N 0.732 121.980 121.223 0.041 0.000 2.131 291 L HA -0.063 4.277 4.340 -0.001 0.000 0.210 291 L C 3.390 180.318 176.870 0.097 0.000 1.092 291 L CA 0.899 55.789 54.840 0.083 0.000 0.759 291 L CB -0.340 41.746 42.059 0.044 0.000 0.903 291 L HN 0.323 nan 8.230 nan 0.000 0.435 292 A N 0.002 122.852 122.820 0.051 0.000 1.902 292 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 292 A C 2.525 180.130 177.584 0.035 0.000 1.181 292 A CA 1.711 53.765 52.037 0.028 0.000 0.623 292 A CB -0.593 18.416 19.000 0.014 0.000 0.818 292 A HN 0.403 nan 8.150 nan 0.000 0.443 293 A N -1.331 121.524 122.820 0.059 0.000 1.855 293 A HA -0.066 4.253 4.320 -0.001 0.000 0.215 293 A C 2.146 179.786 177.584 0.094 0.000 1.191 293 A CA 1.641 53.718 52.037 0.067 0.000 0.613 293 A CB -0.992 18.051 19.000 0.072 0.000 0.829 293 A HN 0.684 nan 8.150 nan 0.000 0.442 294 Y N 0.835 121.133 120.300 -0.005 0.000 2.053 294 Y HA -0.253 4.297 4.550 -0.000 0.000 0.277 294 Y C 2.438 178.336 175.900 -0.003 0.000 1.159 294 Y CA 2.146 60.247 58.100 0.002 0.000 1.125 294 Y CB -0.687 37.776 38.460 0.004 0.000 0.969 294 Y HN 0.053 nan 8.280 nan 0.000 0.492 295 V N 0.772 120.710 119.914 0.040 0.000 2.332 295 V HA -0.342 3.778 4.120 -0.001 0.000 0.248 295 V C 2.400 178.427 176.094 -0.112 0.000 1.055 295 V CA 2.359 64.642 62.300 -0.028 0.000 1.038 295 V CB -0.762 31.082 31.823 0.035 0.000 0.651 295 V HN 0.563 nan 8.190 nan 0.000 0.450 296 E N 0.118 120.223 120.200 -0.159 0.000 2.150 296 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 296 E C 2.245 178.499 176.600 -0.576 0.000 0.985 296 E CA 1.234 57.417 56.400 -0.361 0.000 0.814 296 E CB -0.402 29.142 29.700 -0.260 0.000 0.752 296 E HN 0.579 nan 8.360 nan 0.000 0.466 297 G N 1.326 109.951 108.800 -0.292 0.000 2.418 297 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.217 297 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.217 297 G C 1.570 176.331 174.900 -0.231 0.000 1.158 297 G CA 0.683 45.688 45.100 -0.157 0.000 0.771 297 G HN 0.221 nan 8.290 nan 0.000 0.545 298 L N 0.238 121.238 121.223 -0.372 0.000 2.131 298 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 298 L C 2.744 179.361 176.870 -0.422 0.000 1.092 298 L CA 1.447 56.072 54.840 -0.359 0.000 0.759 298 L CB -0.363 41.461 42.059 -0.392 0.000 0.903 298 L HN 0.379 nan 8.230 nan 0.000 0.435 299 E N 0.087 119.918 120.200 -0.615 0.000 2.077 299 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 299 E C 2.184 178.478 176.600 -0.510 0.000 0.989 299 E CA 1.399 57.292 56.400 -0.844 0.000 0.800 299 E CB -0.157 28.862 29.700 -1.136 0.000 0.746 299 E HN 0.561 nan 8.360 nan 0.000 0.452 300 Y N 0.623 120.752 120.300 -0.284 0.000 2.293 300 Y HA -0.161 4.389 4.550 -0.001 0.000 0.291 300 Y C 2.681 178.459 175.900 -0.202 0.000 1.137 300 Y CA 0.760 58.747 58.100 -0.187 0.000 1.202 300 Y CB 0.033 38.431 38.460 -0.104 0.000 0.990 300 Y HN 0.114 nan 8.280 nan 0.000 0.537 301 Q N -0.072 119.693 119.800 -0.057 0.000 2.050 301 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 301 Q C 2.288 178.153 176.000 -0.224 0.000 0.980 301 Q CA 1.626 57.322 55.803 -0.179 0.000 0.840 301 Q CB -0.185 28.540 28.738 -0.023 0.000 0.898 301 Q HN 0.592 nan 8.270 nan 0.000 0.424 302 M N 0.249 119.778 119.600 -0.118 0.000 2.086 302 M HA -0.170 4.310 4.480 -0.001 0.000 0.261 302 M C 2.530 178.909 176.300 0.131 0.000 1.067 302 M CA 1.829 57.128 55.300 -0.002 0.000 1.116 302 M CB -0.276 32.182 32.600 -0.237 0.000 1.348 302 M HN 0.214 nan 8.290 nan 0.000 0.407 303 S N -0.141 115.628 115.700 0.115 0.000 2.387 303 S HA -0.030 4.439 4.470 -0.001 0.000 0.226 303 S C 2.047 176.685 174.600 0.064 0.000 1.026 303 S CA 1.043 59.350 58.200 0.180 0.000 0.972 303 S CB -1.284 62.041 63.200 0.209 0.000 0.814 303 S HN 0.521 nan 8.310 nan 0.000 0.477 304 G N 2.317 111.074 108.800 -0.072 0.000 2.418 304 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 304 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 304 G C 1.432 176.186 174.900 -0.243 0.000 1.158 304 G CA 0.975 45.961 45.100 -0.189 0.000 0.771 304 G HN 0.622 nan 8.290 nan 0.000 0.545 305 N N 0.503 118.959 118.700 -0.406 0.000 2.149 305 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 305 N C 2.005 177.635 175.510 0.199 0.000 1.019 305 N CA 1.833 54.798 53.050 -0.143 0.000 0.857 305 N CB -0.262 38.203 38.487 -0.037 0.000 0.997 305 N HN 0.537 nan 8.380 nan 0.000 0.426 306 E N -0.658 119.643 120.200 0.169 0.000 2.028 306 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 306 E C 1.865 178.505 176.600 0.067 0.000 0.988 306 E CA 0.907 57.425 56.400 0.197 0.000 0.799 306 E CB -0.211 29.670 29.700 0.301 0.000 0.755 306 E HN 0.348 nan 8.360 nan 0.000 0.447 307 L N 0.251 121.516 121.223 0.071 0.000 2.083 307 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 307 L C 1.991 178.853 176.870 -0.012 0.000 1.083 307 L CA 1.912 56.761 54.840 0.015 0.000 0.752 307 L CB -0.690 41.391 42.059 0.037 0.000 0.899 307 L HN 0.401 nan 8.230 nan 0.000 0.433 308 W N -0.101 121.147 121.300 -0.088 0.000 2.379 308 W HA -0.168 4.492 4.660 -0.000 0.000 0.307 308 W C 2.543 178.974 176.519 -0.146 0.000 1.200 308 W CA 1.894 59.191 57.345 -0.080 0.000 1.297 308 W CB -0.543 28.937 29.460 0.033 0.000 1.140 308 W HN 0.110 nan 8.180 nan 0.000 0.507 309 S N 0.468 116.033 115.700 -0.224 0.000 2.383 309 S HA -0.281 4.188 4.470 -0.001 0.000 0.229 309 S C 1.616 175.747 174.600 -0.781 0.000 1.030 309 S CA 1.867 59.784 58.200 -0.471 0.000 1.002 309 S CB -0.502 62.687 63.200 -0.019 0.000 0.829 309 S HN 0.503 nan 8.310 nan 0.000 0.467 310 Q N 0.227 119.511 119.800 -0.860 0.000 2.369 310 Q HA -0.017 4.322 4.340 -0.001 0.000 0.206 310 Q C 1.914 177.685 176.000 -0.382 0.000 0.963 310 Q CA 1.429 56.768 55.803 -0.774 0.000 0.894 310 Q CB -0.204 28.248 28.738 -0.477 0.000 0.965 310 Q HN 0.739 nan 8.270 nan 0.000 0.475 311 T N -4.451 109.862 114.554 -0.401 0.000 2.975 311 T HA 0.067 4.417 4.350 -0.001 0.000 0.261 311 T C 0.805 175.272 174.700 -0.388 0.000 0.984 311 T CA -0.138 61.782 62.100 -0.300 0.000 0.911 311 T CB 0.474 69.223 68.868 -0.199 0.000 1.127 311 T HN -0.026 nan 8.240 nan 0.000 0.514 312 T N 1.871 116.008 114.554 -0.695 0.000 2.919 312 T HA 0.381 4.731 4.350 -0.001 0.000 0.302 312 T C 1.155 175.573 174.700 -0.471 0.000 1.031 312 T CA -0.431 61.230 62.100 -0.733 0.000 1.127 312 T CB 0.180 68.208 68.868 -1.399 0.000 0.952 312 T HN 0.303 nan 8.240 nan 0.000 0.540 313 L N 3.583 124.622 121.223 -0.306 0.000 2.395 313 L HA 0.126 4.466 4.340 -0.001 0.000 0.218 313 L C 2.713 179.478 176.870 -0.175 0.000 1.130 313 L CA 0.419 55.151 54.840 -0.179 0.000 0.826 313 L CB -0.374 41.617 42.059 -0.113 0.000 0.941 313 L HN 0.604 nan 8.230 nan 0.000 0.451 314 R N 0.084 120.401 120.500 -0.305 0.000 2.211 314 R HA -0.178 4.161 4.340 -0.001 0.000 0.240 314 R C 1.071 177.302 176.300 -0.116 0.000 1.144 314 R CA 1.542 57.484 56.100 -0.262 0.000 0.992 314 R CB -0.168 29.887 30.300 -0.409 0.000 0.869 314 R HN 0.434 nan 8.270 nan 0.000 0.462 315 Y N -1.091 119.118 120.300 -0.152 0.000 2.681 315 Y HA 0.337 4.887 4.550 -0.001 0.000 0.267 315 Y C 0.113 175.971 175.900 -0.069 0.000 1.166 315 Y CA -1.061 56.974 58.100 -0.108 0.000 1.209 315 Y CB 0.863 39.250 38.460 -0.121 0.000 1.161 315 Y HN -0.092 nan 8.280 nan 0.000 0.534 316 S N 1.091 116.835 115.700 0.074 0.000 2.586 316 S HA 0.355 4.824 4.470 -0.001 0.000 0.274 316 S C 0.271 174.910 174.600 0.064 0.000 1.281 316 S CA -0.743 57.485 58.200 0.048 0.000 1.035 316 S CB 1.223 64.430 63.200 0.011 0.000 0.962 316 S HN 0.222 nan 8.310 nan 0.000 0.512 317 V N 0.000 119.946 119.914 0.054 0.000 2.409 317 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 317 V CA 0.000 62.339 62.300 0.066 0.000 1.235 317 V CB 0.000 31.852 31.823 0.049 0.000 1.184 317 V HN 0.000 nan 8.190 nan 0.000 0.556