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 1yq3_1_A DATA FIRST_RESID 8 DATA SEQUENCE ISTQYPVVDH EFDAVVVGAG GAGLRAAFGL SEAGFNTACV TKLFPTRSHT DATA SEQUENCE VAAQGGINAA LGNMEDDNWR WHFYDTVKGS DWLGDQDAIH YMTEQAPAAV DATA SEQUENCE IELENYGMPF SRTEEGKIYQ RAFGGQSLQF GKGGQAHRCC CVADRTGHSL DATA SEQUENCE LHTLYGRSLR YDTSYFVEYF ALDLLMENGE CRGVIALCIE DGTIHRFRAK DATA SEQUENCE NTVIATGGYG RTYFSCTSAH TSTGDGTAMV TRAGLPCQDL EFVQFHPTGI DATA SEQUENCE YGAGCLITEG CRGEGGILIN SQGERFMERY APVAKDLASR DVVSRSMTIE DATA SEQUENCE IREGRGCGPE KDHVYLQLHH LPPQQLATRL PGISETAMIF AGVDVTKEPI DATA SEQUENCE PVLPTVHYNM GGIPTNYKGQ VITHVNGEDK VVPGLYACGE AASASVHGAN DATA SEQUENCE RLGANSLLDL VVFGRACALT IAETCKPGEP VPSIKPNAGE ESVANLDKLR DATA SEQUENCE FADGTIRTSE ARLNMQKTMQ SHAAVFRTGS ILQEGCEKLS QIYRDLAHLK DATA SEQUENCE TFDRGIVWNT DLVETLELQN LMLCALQTIY GAEARKESRG AHAREDYKLR DATA SEQUENCE IDEFDYSKPL QGQQKRPFEE HWRKHTLSYV DVKSGKVTLK YRPVIDRTLN DATA SEQUENCE EEDCSSVPPA IRSY 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 8 I HA 0.000 nan 4.170 nan 0.000 0.288 8 I C 0.000 176.132 176.117 0.025 0.000 1.063 8 I CA 0.000 61.309 61.300 0.015 0.000 1.566 8 I CB 0.000 38.010 38.000 0.016 0.000 1.214 9 S N 0.310 116.026 115.700 0.027 0.000 2.774 9 S HA 0.026 4.496 4.470 -0.000 0.000 0.857 9 S C -0.116 174.524 174.600 0.066 0.000 0.840 9 S CA 0.692 58.913 58.200 0.035 0.000 1.521 9 S CB -0.854 62.361 63.200 0.026 0.000 1.094 9 S HN 2.304 nan 8.310 nan 0.000 0.241 10 T N 4.930 119.520 114.554 0.060 0.000 3.176 10 T HA 0.288 4.638 4.350 -0.000 0.000 0.301 10 T C 1.488 176.241 174.700 0.088 0.000 1.115 10 T CA -0.011 62.145 62.100 0.094 0.000 1.027 10 T CB 0.068 68.969 68.868 0.057 0.000 1.063 10 T HN 0.564 nan 8.240 nan 0.000 0.669 11 Q N 3.004 122.886 119.800 0.137 0.000 2.432 11 Q HA 0.032 4.372 4.340 -0.000 0.000 0.205 11 Q C -0.518 175.376 176.000 -0.176 0.000 0.945 11 Q CA 0.683 56.479 55.803 -0.012 0.000 0.924 11 Q CB 0.299 29.033 28.738 -0.007 0.000 1.016 11 Q HN 0.705 nan 8.270 nan 0.000 0.503 12 Y N 2.126 122.436 120.300 0.016 0.000 2.328 12 Y HA 0.343 4.893 4.550 -0.000 0.000 0.337 12 Y C -2.148 173.743 175.900 -0.016 0.000 0.966 12 Y CA -3.269 54.835 58.100 0.007 0.000 1.136 12 Y CB 1.141 39.607 38.460 0.010 0.000 1.170 12 Y HN -0.029 nan 8.280 nan 0.000 0.470 13 P HA 0.163 nan 4.420 nan 0.000 0.275 13 P C -0.798 176.495 177.300 -0.012 0.000 1.227 13 P CA -0.122 62.991 63.100 0.022 0.000 0.781 13 P CB 1.715 33.413 31.700 -0.005 0.000 0.906 14 V N 4.026 123.906 119.914 -0.055 0.000 2.417 14 V HA 0.248 4.367 4.120 -0.000 0.000 0.291 14 V C 0.328 176.297 176.094 -0.209 0.000 1.024 14 V CA -0.716 61.511 62.300 -0.121 0.000 0.861 14 V CB 1.984 33.764 31.823 -0.071 0.000 0.985 14 V HN 0.270 nan 8.190 nan 0.000 0.436 15 V N 3.927 123.612 119.914 -0.381 0.000 2.435 15 V HA 0.462 4.581 4.120 -0.000 0.000 0.290 15 V C -0.304 175.535 176.094 -0.426 0.000 1.030 15 V CA -0.620 61.425 62.300 -0.424 0.000 0.881 15 V CB 1.755 33.228 31.823 -0.583 0.000 0.983 15 V HN 0.809 nan 8.190 nan 0.000 0.445 16 D N 2.876 123.046 120.400 -0.383 0.000 2.192 16 D HA 0.477 5.117 4.640 -0.000 0.000 0.246 16 D C -0.698 175.355 176.300 -0.412 0.000 1.042 16 D CA -0.287 53.524 54.000 -0.315 0.000 0.847 16 D CB 1.439 42.144 40.800 -0.160 0.000 1.186 16 D HN 0.595 nan 8.370 nan 0.000 0.461 17 H N 0.785 119.752 119.070 -0.171 0.000 2.797 17 H HA 0.439 4.995 4.556 -0.000 0.000 0.372 17 H C -0.542 174.773 175.328 -0.021 0.000 1.168 17 H CA -0.585 55.407 56.048 -0.093 0.000 1.163 17 H CB 2.311 32.068 29.762 -0.008 0.000 1.778 17 H HN 0.324 nan 8.280 nan 0.000 0.551 18 E N 1.367 121.568 120.200 0.002 0.000 2.246 18 E HA 0.410 4.759 4.350 -0.000 0.000 0.266 18 E C -1.342 175.153 176.600 -0.175 0.000 0.880 18 E CA -0.357 56.048 56.400 0.008 0.000 0.762 18 E CB 2.073 31.747 29.700 -0.043 0.000 1.180 18 E HN 0.259 nan 8.360 nan 0.000 0.416 19 F N 0.471 120.489 119.950 0.114 0.000 2.650 19 F HA 0.228 4.755 4.527 -0.000 0.000 0.320 19 F C 0.982 176.839 175.800 0.095 0.000 1.091 19 F CA -0.713 57.352 58.000 0.107 0.000 0.962 19 F CB 1.613 40.675 39.000 0.103 0.000 1.363 19 F HN 0.363 nan 8.300 nan 0.000 0.482 20 D N 0.724 121.322 120.400 0.329 0.000 2.117 20 D HA 0.149 4.789 4.640 -0.000 0.000 0.198 20 D C 0.207 176.645 176.300 0.229 0.000 0.982 20 D CA 1.300 55.465 54.000 0.276 0.000 0.828 20 D CB 0.152 41.175 40.800 0.372 0.000 0.967 20 D HN 0.425 nan 8.370 nan 0.000 0.464 21 A N -0.459 122.478 122.820 0.196 0.000 2.572 21 A HA 0.594 4.914 4.320 -0.000 0.000 0.295 21 A C -1.332 176.201 177.584 -0.086 0.000 1.072 21 A CA -0.575 51.475 52.037 0.021 0.000 0.691 21 A CB 1.871 20.813 19.000 -0.096 0.000 1.291 21 A HN -0.115 nan 8.150 nan 0.000 0.404 22 V N 1.028 120.849 119.914 -0.154 0.000 2.588 22 V HA 0.583 4.703 4.120 -0.000 0.000 0.304 22 V C -0.654 175.277 176.094 -0.273 0.000 1.042 22 V CA -0.606 61.519 62.300 -0.292 0.000 0.877 22 V CB 1.702 33.365 31.823 -0.268 0.000 0.996 22 V HN 0.726 nan 8.190 nan 0.000 0.425 23 V N 5.006 124.722 119.914 -0.330 0.000 2.417 23 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 23 V C -0.276 175.653 176.094 -0.275 0.000 1.024 23 V CA -0.596 61.547 62.300 -0.263 0.000 0.861 23 V CB 2.035 33.708 31.823 -0.251 0.000 0.985 23 V HN 0.630 nan 8.190 nan 0.000 0.436 24 V N 4.267 124.053 119.914 -0.213 0.000 2.333 24 V HA 0.926 5.046 4.120 -0.000 0.000 0.274 24 V C 0.543 176.546 176.094 -0.152 0.000 1.028 24 V CA 0.309 62.484 62.300 -0.207 0.000 0.851 24 V CB 0.663 32.373 31.823 -0.187 0.000 1.000 24 V HN 1.269 nan 8.190 nan 0.000 0.456 25 G N 3.857 112.575 108.800 -0.137 0.000 2.627 25 G HA2 0.476 4.436 3.960 -0.000 0.000 0.680 25 G HA3 0.476 4.436 3.960 -0.000 0.000 0.680 25 G C -0.450 174.413 174.900 -0.062 0.000 1.341 25 G CA -0.134 44.914 45.100 -0.086 0.000 0.835 25 G HN 1.506 nan 8.290 nan 0.000 0.643 26 A N 0.689 123.489 122.820 -0.032 0.000 2.843 26 A HA 0.812 5.132 4.320 -0.000 0.000 0.248 26 A C 1.046 178.622 177.584 -0.014 0.000 0.904 26 A CA 1.104 53.140 52.037 -0.003 0.000 1.091 26 A CB -0.076 18.944 19.000 0.034 0.000 1.208 26 A HN 2.170 nan 8.150 nan 0.000 0.476 27 G N -0.519 108.275 108.800 -0.010 0.000 2.531 27 G HA2 0.435 4.394 3.960 -0.000 0.000 0.253 27 G HA3 0.435 4.394 3.960 -0.000 0.000 0.253 27 G C 1.154 176.060 174.900 0.010 0.000 1.439 27 G CA 0.256 45.353 45.100 -0.005 0.000 1.056 27 G HN 0.638 nan 8.290 nan 0.000 0.555 28 G N -0.143 108.669 108.800 0.020 0.000 2.421 28 G HA2 0.043 4.003 3.960 -0.000 0.000 0.216 28 G HA3 0.043 4.003 3.960 -0.000 0.000 0.216 28 G C 1.960 176.873 174.900 0.022 0.000 1.171 28 G CA 1.994 47.115 45.100 0.034 0.000 0.775 28 G HN 0.882 nan 8.290 nan 0.000 0.543 29 A N 0.782 123.617 122.820 0.025 0.000 1.855 29 A HA 0.212 4.532 4.320 -0.000 0.000 0.215 29 A C 2.733 180.295 177.584 -0.038 0.000 1.191 29 A CA 2.085 54.128 52.037 0.011 0.000 0.613 29 A CB -1.141 17.884 19.000 0.041 0.000 0.829 29 A HN 0.536 nan 8.150 nan 0.000 0.442 30 G N -0.155 108.624 108.800 -0.036 0.000 2.418 30 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 30 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 30 G C 1.572 176.428 174.900 -0.073 0.000 1.158 30 G CA 1.024 46.082 45.100 -0.070 0.000 0.771 30 G HN 0.411 nan 8.290 nan 0.000 0.545 31 L N -0.166 121.052 121.223 -0.008 0.000 2.012 31 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 31 L C 2.915 179.692 176.870 -0.155 0.000 1.073 31 L CA 1.475 56.354 54.840 0.065 0.000 0.748 31 L CB -0.359 41.808 42.059 0.180 0.000 0.891 31 L HN 0.164 nan 8.230 nan 0.000 0.431 32 R N 0.557 120.906 120.500 -0.252 0.000 2.096 32 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 32 R C 2.187 178.114 176.300 -0.623 0.000 1.127 32 R CA 1.631 57.368 56.100 -0.604 0.000 0.968 32 R CB -0.523 29.602 30.300 -0.291 0.000 0.861 32 R HN 0.337 nan 8.270 nan 0.000 0.440 33 A N 0.054 122.668 122.820 -0.344 0.000 1.898 33 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 33 A C 2.354 179.743 177.584 -0.325 0.000 1.181 33 A CA 1.583 53.435 52.037 -0.307 0.000 0.620 33 A CB -1.018 17.853 19.000 -0.214 0.000 0.819 33 A HN 0.476 nan 8.150 nan 0.000 0.442 34 A N 0.055 122.715 122.820 -0.267 0.000 1.855 34 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 34 A C 2.010 179.510 177.584 -0.141 0.000 1.191 34 A CA 1.663 53.576 52.037 -0.206 0.000 0.613 34 A CB -0.977 17.913 19.000 -0.184 0.000 0.829 34 A HN 1.040 nan 8.150 nan 0.000 0.442 35 F N 0.163 120.013 119.950 -0.168 0.000 2.407 35 F HA 0.208 4.735 4.527 -0.000 0.000 0.299 35 F C 1.958 177.495 175.800 -0.438 0.000 1.097 35 F CA 0.520 58.317 58.000 -0.338 0.000 1.422 35 F CB -1.158 37.599 39.000 -0.406 0.000 1.067 35 F HN 0.099 nan 8.300 nan 0.000 0.539 36 G N 1.841 110.328 108.800 -0.522 0.000 2.440 36 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 36 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 36 G C 1.744 176.535 174.900 -0.181 0.000 1.154 36 G CA 1.193 46.093 45.100 -0.334 0.000 0.767 36 G HN 0.465 nan 8.290 nan 0.000 0.552 37 L N 0.578 121.687 121.223 -0.190 0.000 1.994 37 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 37 L C 3.257 180.171 176.870 0.074 0.000 1.071 37 L CA 1.458 56.234 54.840 -0.107 0.000 0.745 37 L CB -0.383 41.563 42.059 -0.189 0.000 0.892 37 L HN 0.198 nan 8.230 nan 0.000 0.431 38 S N -0.696 115.014 115.700 0.016 0.000 2.368 38 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 38 S C 1.837 176.483 174.600 0.078 0.000 1.030 38 S CA 1.581 59.831 58.200 0.083 0.000 0.999 38 S CB -0.252 63.008 63.200 0.101 0.000 0.844 38 S HN 0.444 nan 8.310 nan 0.000 0.459 39 E N 1.319 121.473 120.200 -0.077 0.000 2.160 39 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 39 E C 1.692 178.352 176.600 0.101 0.000 0.991 39 E CA 1.107 57.521 56.400 0.023 0.000 0.810 39 E CB -0.220 29.426 29.700 -0.090 0.000 0.742 39 E HN 0.496 nan 8.360 nan 0.000 0.466 40 A N -0.401 122.488 122.820 0.115 0.000 2.238 40 A HA 0.272 4.592 4.320 -0.000 0.000 0.208 40 A C 1.700 179.370 177.584 0.143 0.000 1.177 40 A CA 0.910 53.053 52.037 0.176 0.000 0.804 40 A CB -0.271 18.887 19.000 0.263 0.000 0.823 40 A HN 0.530 nan 8.150 nan 0.000 0.482 41 G N -2.242 106.621 108.800 0.104 0.000 2.184 41 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.206 41 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.206 41 G C -0.058 174.771 174.900 -0.118 0.000 0.995 41 G CA -0.147 44.929 45.100 -0.040 0.000 0.651 41 G HN 0.286 nan 8.290 nan 0.000 0.511 42 F N 1.910 121.869 119.950 0.014 0.000 2.438 42 F HA 0.348 4.875 4.527 -0.000 0.000 0.356 42 F C 0.986 176.820 175.800 0.057 0.000 1.099 42 F CA -0.570 57.443 58.000 0.020 0.000 1.185 42 F CB 0.861 39.851 39.000 -0.018 0.000 1.115 42 F HN 0.124 nan 8.300 nan 0.000 0.526 43 N N 2.711 121.542 118.700 0.217 0.000 2.406 43 N HA 0.073 4.813 4.740 -0.000 0.000 0.265 43 N C -1.022 174.714 175.510 0.377 0.000 1.203 43 N CA -0.028 53.180 53.050 0.264 0.000 0.945 43 N CB 0.299 38.914 38.487 0.212 0.000 1.165 43 N HN 0.570 nan 8.380 nan 0.000 0.485 44 T N 1.935 116.642 114.554 0.256 0.000 2.856 44 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 44 T C -0.461 174.069 174.700 -0.283 0.000 1.008 44 T CA -0.639 61.474 62.100 0.022 0.000 0.997 44 T CB 1.746 70.583 68.868 -0.053 0.000 0.992 44 T HN 0.537 nan 8.240 nan 0.000 0.454 45 A N 1.091 123.472 122.820 -0.731 0.000 2.324 45 A HA 0.683 5.003 4.320 -0.000 0.000 0.330 45 A C -0.142 177.035 177.584 -0.677 0.000 1.165 45 A CA -0.732 50.726 52.037 -0.966 0.000 0.813 45 A CB 0.656 18.622 19.000 -1.723 0.000 1.197 45 A HN 1.001 nan 8.150 nan 0.000 0.484 46 C N 3.147 122.058 119.300 -0.647 0.000 2.340 46 C HA 0.708 5.168 4.460 -0.000 0.000 0.323 46 C C -0.720 174.008 174.990 -0.437 0.000 1.260 46 C CA -0.289 58.379 59.018 -0.585 0.000 1.464 46 C CB -0.282 27.007 27.740 -0.751 0.000 2.156 46 C HN 0.683 nan 8.230 nan 0.000 0.476 47 V N 6.044 125.710 119.914 -0.413 0.000 2.384 47 V HA 0.740 4.860 4.120 -0.000 0.000 0.287 47 V C 0.384 176.373 176.094 -0.174 0.000 1.020 47 V CA 0.066 62.149 62.300 -0.363 0.000 0.850 47 V CB 1.645 33.128 31.823 -0.568 0.000 0.987 47 V HN 0.987 nan 8.190 nan 0.000 0.436 48 T N 3.047 117.575 114.554 -0.044 0.000 2.916 48 T HA 0.388 4.738 4.350 -0.000 0.000 0.305 48 T C 0.534 175.282 174.700 0.079 0.000 1.119 48 T CA -0.557 61.539 62.100 -0.006 0.000 1.008 48 T CB 1.870 70.740 68.868 0.003 0.000 1.129 48 T HN 0.797 nan 8.240 nan 0.000 0.480 49 K N 3.132 123.569 120.400 0.062 0.000 2.426 49 K HA 0.341 4.661 4.320 -0.000 0.000 0.193 49 K C 0.318 177.019 176.600 0.168 0.000 1.028 49 K CA 0.124 56.497 56.287 0.143 0.000 1.047 49 K CB 0.124 32.727 32.500 0.172 0.000 0.821 49 K HN 0.431 nan 8.250 nan 0.000 0.513 50 L N 0.927 122.235 121.223 0.141 0.000 2.323 50 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 50 L C -0.456 176.508 176.870 0.157 0.000 1.012 50 L CA -1.594 53.349 54.840 0.171 0.000 0.820 50 L CB 1.238 43.373 42.059 0.126 0.000 1.334 50 L HN -0.063 nan 8.230 nan 0.000 0.427 51 F N 3.027 123.024 119.950 0.079 0.000 2.529 51 F HA 0.187 4.714 4.527 -0.000 0.000 0.365 51 F C -1.526 174.240 175.800 -0.056 0.000 1.102 51 F CA -1.448 56.560 58.000 0.013 0.000 1.271 51 F CB 0.746 39.735 39.000 -0.019 0.000 1.120 51 F HN 0.289 nan 8.300 nan 0.000 0.579 52 P HA -0.252 nan 4.420 nan 0.000 0.218 52 P C 1.325 178.343 177.300 -0.471 0.000 1.154 52 P CA 2.884 65.625 63.100 -0.598 0.000 0.872 52 P CB -0.316 31.047 31.700 -0.562 0.000 0.790 53 T N -4.551 109.652 114.554 -0.585 0.000 3.148 53 T HA 0.088 4.438 4.350 -0.000 0.000 0.253 53 T C 1.464 176.090 174.700 -0.122 0.000 1.134 53 T CA 0.160 62.020 62.100 -0.400 0.000 1.051 53 T CB -0.415 68.105 68.868 -0.580 0.000 0.959 53 T HN -0.055 nan 8.240 nan 0.000 0.525 54 R N 1.492 121.990 120.500 -0.004 0.000 2.276 54 R HA 0.327 4.667 4.340 -0.000 0.000 0.196 54 R C 0.809 177.142 176.300 0.054 0.000 0.961 54 R CA -0.071 56.076 56.100 0.078 0.000 1.024 54 R CB -0.511 29.878 30.300 0.147 0.000 0.940 54 R HN 0.385 nan 8.270 nan 0.000 0.480 55 S N 0.793 116.494 115.700 0.003 0.000 2.566 55 S HA -0.062 4.408 4.470 -0.000 0.000 0.280 55 S C 1.174 175.806 174.600 0.052 0.000 1.343 55 S CA -0.194 58.026 58.200 0.032 0.000 1.036 55 S CB 0.673 63.870 63.200 -0.004 0.000 0.866 55 S HN 0.384 nan 8.310 nan 0.000 0.526 56 H N 2.196 121.270 119.070 0.007 0.000 2.426 56 H HA -0.107 4.449 4.556 -0.000 0.000 0.298 56 H C 1.917 177.249 175.328 0.007 0.000 1.107 56 H CA 2.387 58.438 56.048 0.005 0.000 1.298 56 H CB -0.554 29.200 29.762 -0.013 0.000 1.377 56 H HN 0.639 nan 8.280 nan 0.000 0.519 57 T N -0.549 113.977 114.554 -0.045 0.000 2.721 57 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 57 T C 2.149 176.790 174.700 -0.099 0.000 1.038 57 T CA 1.349 63.408 62.100 -0.068 0.000 1.145 57 T CB -0.771 68.087 68.868 -0.016 0.000 0.858 57 T HN 0.278 nan 8.240 nan 0.000 0.459 58 V N 1.030 120.894 119.914 -0.083 0.000 2.688 58 V HA -0.114 4.006 4.120 -0.000 0.000 0.256 58 V C 2.263 178.355 176.094 -0.003 0.000 1.084 58 V CA 1.799 64.087 62.300 -0.020 0.000 1.103 58 V CB -0.683 31.144 31.823 0.006 0.000 0.688 58 V HN 0.555 nan 8.190 nan 0.000 0.480 59 A N -0.711 122.016 122.820 -0.155 0.000 2.238 59 A HA 0.642 4.962 4.320 -0.000 0.000 0.210 59 A C 1.265 178.768 177.584 -0.135 0.000 1.179 59 A CA 0.599 52.540 52.037 -0.161 0.000 0.827 59 A CB -0.360 18.456 19.000 -0.307 0.000 0.856 59 A HN 0.747 nan 8.150 nan 0.000 0.488 60 A N -0.342 122.403 122.820 -0.126 0.000 2.483 60 A HA 0.399 4.719 4.320 -0.000 0.000 0.238 60 A C 0.753 178.347 177.584 0.017 0.000 1.070 60 A CA 0.375 52.388 52.037 -0.040 0.000 0.770 60 A CB 0.227 19.210 19.000 -0.029 0.000 1.008 60 A HN 0.588 nan 8.150 nan 0.000 0.497 61 Q N 1.805 121.638 119.800 0.055 0.000 2.618 61 Q HA 0.132 4.471 4.340 -0.000 0.000 0.209 61 Q C 2.105 178.167 176.000 0.104 0.000 0.797 61 Q CA 0.476 56.324 55.803 0.075 0.000 0.888 61 Q CB -0.032 28.753 28.738 0.078 0.000 1.244 61 Q HN 0.854 nan 8.270 nan 0.000 0.626 62 G N 0.599 109.505 108.800 0.176 0.000 2.442 62 G HA2 0.187 4.147 3.960 -0.000 0.000 0.219 62 G HA3 0.187 4.147 3.960 -0.000 0.000 0.219 62 G C 0.595 175.457 174.900 -0.064 0.000 1.141 62 G CA 0.973 46.202 45.100 0.215 0.000 0.763 62 G HN 0.499 nan 8.290 nan 0.000 0.554 63 G N -1.401 107.294 108.800 -0.176 0.000 2.352 63 G HA2 0.346 4.306 3.960 -0.000 0.000 0.283 63 G HA3 0.346 4.306 3.960 -0.000 0.000 0.283 63 G C -1.840 172.956 174.900 -0.174 0.000 1.308 63 G CA -0.284 44.715 45.100 -0.169 0.000 0.892 63 G HN 0.742 nan 8.290 nan 0.000 0.504 64 I N 0.361 120.875 120.570 -0.094 0.000 2.607 64 I HA 0.451 4.621 4.170 -0.000 0.000 0.290 64 I C -1.177 174.893 176.117 -0.078 0.000 1.129 64 I CA -1.095 60.177 61.300 -0.046 0.000 1.042 64 I CB 1.871 39.914 38.000 0.071 0.000 1.242 64 I HN 0.474 nan 8.210 nan 0.000 0.421 65 N N 6.070 124.721 118.700 -0.081 0.000 2.529 65 N HA 0.727 5.467 4.740 -0.000 0.000 0.278 65 N C -0.809 174.681 175.510 -0.033 0.000 1.146 65 N CA -0.213 52.758 53.050 -0.132 0.000 0.980 65 N CB 1.874 40.211 38.487 -0.250 0.000 1.124 65 N HN 0.710 nan 8.380 nan 0.000 0.458 66 A N 0.174 122.935 122.820 -0.099 0.000 2.565 66 A HA 0.605 4.925 4.320 -0.000 0.000 0.298 66 A C -0.906 176.657 177.584 -0.035 0.000 1.062 66 A CA -0.768 51.268 52.037 -0.002 0.000 0.723 66 A CB 0.668 19.643 19.000 -0.043 0.000 1.282 66 A HN 0.581 nan 8.150 nan 0.000 0.400 67 A N 2.279 125.133 122.820 0.057 0.000 3.037 67 A HA 0.498 4.818 4.320 -0.000 0.000 0.272 67 A C 0.756 178.332 177.584 -0.013 0.000 1.723 67 A CA -0.137 51.917 52.037 0.028 0.000 1.413 67 A CB -1.041 18.016 19.000 0.094 0.000 1.112 67 A HN 0.885 nan 8.150 nan 0.000 0.606 68 L N 0.907 122.097 121.223 -0.055 0.000 2.313 68 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 68 L C 1.862 178.697 176.870 -0.057 0.000 1.119 68 L CA 0.820 55.617 54.840 -0.071 0.000 0.809 68 L CB -0.170 41.820 42.059 -0.115 0.000 0.933 68 L HN 0.816 nan 8.230 nan 0.000 0.449 69 G N 0.607 109.380 108.800 -0.045 0.000 2.221 69 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 69 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 69 G C 0.476 175.358 174.900 -0.030 0.000 1.041 69 G CA 0.476 45.558 45.100 -0.030 0.000 0.807 69 G HN 0.371 nan 8.290 nan 0.000 0.502 70 N N -0.538 118.137 118.700 -0.043 0.000 2.467 70 N HA 0.115 4.855 4.740 -0.000 0.000 0.184 70 N C 2.008 177.504 175.510 -0.023 0.000 1.106 70 N CA 0.961 53.989 53.050 -0.037 0.000 0.892 70 N CB 0.011 38.465 38.487 -0.054 0.000 0.969 70 N HN 0.459 nan 8.380 nan 0.000 0.454 71 M N -0.295 119.292 119.600 -0.021 0.000 2.393 71 M HA 0.207 4.687 4.480 -0.000 0.000 0.270 71 M C 0.244 176.534 176.300 -0.016 0.000 1.127 71 M CA 0.516 55.799 55.300 -0.030 0.000 1.104 71 M CB 0.243 32.806 32.600 -0.062 0.000 1.523 71 M HN 0.079 nan 8.290 nan 0.000 0.546 72 E N -0.269 119.943 120.200 0.020 0.000 2.409 72 E HA 0.234 4.584 4.350 -0.000 0.000 0.280 72 E C -1.778 174.856 176.600 0.056 0.000 1.079 72 E CA -0.552 55.875 56.400 0.044 0.000 0.840 72 E CB 0.973 30.722 29.700 0.082 0.000 1.309 72 E HN -0.156 nan 8.360 nan 0.000 0.447 73 D N 0.989 121.428 120.400 0.065 0.000 2.443 73 D HA 0.350 4.990 4.640 -0.000 0.000 0.239 73 D C -0.567 175.787 176.300 0.090 0.000 1.136 73 D CA 0.916 54.942 54.000 0.043 0.000 0.879 73 D CB 0.678 41.507 40.800 0.048 0.000 1.195 73 D HN 0.374 nan 8.370 nan 0.000 0.443 74 D N 0.232 120.589 120.400 -0.072 0.000 2.652 74 D HA 0.401 5.041 4.640 -0.000 0.000 0.285 74 D C -1.426 174.500 176.300 -0.623 0.000 1.173 74 D CA -0.633 53.282 54.000 -0.142 0.000 0.981 74 D CB 1.458 42.262 40.800 0.005 0.000 1.440 74 D HN 0.192 nan 8.370 nan 0.000 0.485 75 N N 0.798 119.025 118.700 -0.788 0.000 2.406 75 N HA 0.070 4.810 4.740 -0.000 0.000 0.283 75 N C 0.678 175.874 175.510 -0.522 0.000 1.074 75 N CA -0.608 51.853 53.050 -0.981 0.000 0.916 75 N CB 0.872 38.105 38.487 -2.089 0.000 1.639 75 N HN 0.646 nan 8.380 nan 0.000 0.485 76 W N 4.291 125.439 121.300 -0.253 0.000 2.425 76 W HA 0.000 4.660 4.660 -0.000 0.000 0.277 76 W C 0.660 177.187 176.519 0.015 0.000 1.231 76 W CA 0.247 57.559 57.345 -0.056 0.000 1.248 76 W CB -0.376 29.051 29.460 -0.055 0.000 1.117 76 W HN 0.453 nan 8.180 nan 0.000 0.568 77 R N -0.385 119.523 120.500 -0.986 0.000 2.148 77 R HA -0.128 4.212 4.340 -0.000 0.000 0.227 77 R C 1.989 178.307 176.300 0.030 0.000 1.103 77 R CA 1.831 57.531 56.100 -0.667 0.000 0.983 77 R CB -0.685 29.142 30.300 -0.789 0.000 0.874 77 R HN 0.099 nan 8.270 nan 0.000 0.451 78 W N 0.304 121.386 121.300 -0.364 0.000 2.388 78 W HA -0.097 4.563 4.660 -0.000 0.000 0.294 78 W C 2.037 178.618 176.519 0.103 0.000 1.212 78 W CA 0.668 57.818 57.345 -0.326 0.000 1.271 78 W CB -1.121 28.123 29.460 -0.360 0.000 1.126 78 W HN 0.336 nan 8.180 nan 0.000 0.535 79 H N -1.473 117.765 119.070 0.280 0.000 2.357 79 H HA -0.200 4.356 4.556 -0.000 0.000 0.301 79 H C 2.270 177.764 175.328 0.277 0.000 1.082 79 H CA 1.521 57.718 56.048 0.249 0.000 1.342 79 H CB -0.448 29.450 29.762 0.227 0.000 1.389 79 H HN 0.015 nan 8.280 nan 0.000 0.511 80 F N 0.805 120.888 119.950 0.221 0.000 2.095 80 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 80 F C 2.306 178.213 175.800 0.179 0.000 1.104 80 F CA 1.899 59.995 58.000 0.161 0.000 1.232 80 F CB -0.929 38.187 39.000 0.194 0.000 0.987 80 F HN 0.217 nan 8.300 nan 0.000 0.475 81 Y N 1.406 121.820 120.300 0.190 0.000 2.145 81 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 81 Y C 2.275 178.157 175.900 -0.030 0.000 1.145 81 Y CA 2.155 60.314 58.100 0.097 0.000 1.148 81 Y CB -0.790 37.938 38.460 0.446 0.000 0.981 81 Y HN 0.102 nan 8.280 nan 0.000 0.507 82 D N -0.812 119.669 120.400 0.135 0.000 2.149 82 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 82 D C 2.071 178.313 176.300 -0.097 0.000 0.990 82 D CA 1.999 56.034 54.000 0.058 0.000 0.839 82 D CB -0.380 40.549 40.800 0.215 0.000 0.948 82 D HN 0.396 nan 8.370 nan 0.000 0.460 83 T N 0.351 114.843 114.554 -0.102 0.000 2.812 83 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 83 T C 2.282 176.768 174.700 -0.357 0.000 1.042 83 T CA 0.411 62.423 62.100 -0.147 0.000 1.140 83 T CB -0.154 68.659 68.868 -0.091 0.000 0.870 83 T HN -0.039 nan 8.240 nan 0.000 0.445 84 V N 1.750 121.304 119.914 -0.601 0.000 2.295 84 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 84 V C 2.533 177.988 176.094 -1.066 0.000 1.049 84 V CA 1.687 63.502 62.300 -0.808 0.000 1.024 84 V CB -0.505 30.757 31.823 -0.935 0.000 0.648 84 V HN 0.434 nan 8.190 nan 0.000 0.447 85 K N 0.273 120.055 120.400 -1.031 0.000 2.026 85 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 85 K C 2.170 178.416 176.600 -0.589 0.000 1.048 85 K CA 1.698 57.332 56.287 -1.089 0.000 0.929 85 K CB -0.660 31.421 32.500 -0.699 0.000 0.713 85 K HN 0.471 nan 8.250 nan 0.000 0.439 86 G N 0.526 109.145 108.800 -0.301 0.000 2.442 86 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 86 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 86 G C 1.465 176.277 174.900 -0.147 0.000 1.141 86 G CA 1.209 46.257 45.100 -0.087 0.000 0.763 86 G HN 0.521 nan 8.290 nan 0.000 0.554 87 S N -0.223 115.317 115.700 -0.268 0.000 2.555 87 S HA -0.000 4.470 4.470 -0.000 0.000 0.230 87 S C 1.087 175.562 174.600 -0.208 0.000 0.978 87 S CA 1.079 59.154 58.200 -0.208 0.000 0.934 87 S CB -0.066 62.996 63.200 -0.230 0.000 0.766 87 S HN 0.322 nan 8.310 nan 0.000 0.533 88 D N 0.396 120.633 120.400 -0.271 0.000 2.772 88 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 88 D C -0.484 175.911 176.300 0.159 0.000 1.143 88 D CA 1.043 55.043 54.000 -0.000 0.000 0.700 88 D CB -1.979 38.896 40.800 0.125 0.000 1.076 88 D HN 0.700 nan 8.370 nan 0.000 0.430 89 W N -2.332 118.919 121.300 -0.081 0.000 4.141 89 W HA -0.308 4.352 4.660 -0.000 0.000 0.336 89 W C 1.136 177.609 176.519 -0.076 0.000 1.258 89 W CA 0.640 57.935 57.345 -0.083 0.000 0.747 89 W CB -2.048 27.356 29.460 -0.093 0.000 2.338 89 W HN 0.328 nan 8.180 nan 0.000 1.410 90 L N -0.042 121.156 121.223 -0.041 0.000 2.693 90 L HA 0.475 4.815 4.340 -0.000 0.000 0.235 90 L C 1.329 178.182 176.870 -0.028 0.000 1.127 90 L CA 1.229 56.015 54.840 -0.089 0.000 0.914 90 L CB 0.053 41.991 42.059 -0.202 0.000 1.193 90 L HN -0.046 nan 8.230 nan 0.000 0.502 91 G N -0.534 108.230 108.800 -0.061 0.000 2.400 91 G HA2 0.288 4.248 3.960 -0.000 0.000 0.301 91 G HA3 0.288 4.248 3.960 -0.000 0.000 0.301 91 G C -1.013 173.912 174.900 0.041 0.000 1.154 91 G CA -0.522 44.566 45.100 -0.020 0.000 0.852 91 G HN 0.108 nan 8.290 nan 0.000 0.511 92 D N 1.349 121.808 120.400 0.098 0.000 2.295 92 D HA 0.099 4.739 4.640 -0.000 0.000 0.248 92 D C 1.158 177.533 176.300 0.126 0.000 1.154 92 D CA 0.060 54.143 54.000 0.138 0.000 0.857 92 D CB 2.012 42.901 40.800 0.148 0.000 1.117 92 D HN 0.462 nan 8.370 nan 0.000 0.468 93 Q N 1.124 121.027 119.800 0.170 0.000 2.436 93 Q HA -0.106 4.233 4.340 -0.000 0.000 0.209 93 Q C 1.116 177.344 176.000 0.379 0.000 0.965 93 Q CA 0.670 56.655 55.803 0.303 0.000 0.910 93 Q CB 0.310 29.277 28.738 0.382 0.000 0.980 93 Q HN 0.493 nan 8.270 nan 0.000 0.491 94 D N 0.676 121.199 120.400 0.204 0.000 2.103 94 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 94 D C 1.752 178.109 176.300 0.094 0.000 0.978 94 D CA 1.290 55.320 54.000 0.051 0.000 0.829 94 D CB -0.383 40.350 40.800 -0.111 0.000 0.981 94 D HN 0.130 nan 8.370 nan 0.000 0.464 95 A N 1.055 123.993 122.820 0.197 0.000 1.902 95 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 95 A C 2.556 180.386 177.584 0.410 0.000 1.181 95 A CA 1.206 53.446 52.037 0.338 0.000 0.623 95 A CB -0.841 18.258 19.000 0.164 0.000 0.818 95 A HN 0.275 nan 8.150 nan 0.000 0.443 96 I N -1.293 119.459 120.570 0.303 0.000 2.286 96 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 96 I C 2.465 178.892 176.117 0.517 0.000 1.115 96 I CA 1.764 63.238 61.300 0.290 0.000 1.392 96 I CB -0.626 37.430 38.000 0.094 0.000 1.065 96 I HN 0.618 nan 8.210 nan 0.000 0.418 97 H N 0.181 119.547 119.070 0.493 0.000 2.293 97 H HA -0.300 4.256 4.556 -0.000 0.000 0.300 97 H C 2.430 177.840 175.328 0.136 0.000 1.082 97 H CA 2.028 58.303 56.048 0.378 0.000 1.308 97 H CB -0.155 29.689 29.762 0.137 0.000 1.375 97 H HN 0.310 nan 8.280 nan 0.000 0.495 98 Y N 0.553 120.952 120.300 0.164 0.000 2.181 98 Y HA -0.298 4.251 4.550 -0.000 0.000 0.288 98 Y C 2.820 178.676 175.900 -0.074 0.000 1.146 98 Y CA 1.943 60.030 58.100 -0.021 0.000 1.164 98 Y CB -0.235 38.261 38.460 0.060 0.000 0.982 98 Y HN 0.287 nan 8.280 nan 0.000 0.515 99 M N -0.325 119.353 119.600 0.131 0.000 2.067 99 M HA -0.219 4.261 4.480 -0.000 0.000 0.260 99 M C 2.182 178.390 176.300 -0.154 0.000 1.069 99 M CA 2.640 57.904 55.300 -0.060 0.000 1.117 99 M CB -0.390 32.312 32.600 0.168 0.000 1.334 99 M HN 0.470 nan 8.290 nan 0.000 0.407 100 T N -2.535 111.975 114.554 -0.073 0.000 2.904 100 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 100 T C 1.612 176.229 174.700 -0.138 0.000 1.059 100 T CA 1.473 63.514 62.100 -0.099 0.000 1.137 100 T CB -0.488 68.386 68.868 0.010 0.000 0.879 100 T HN 0.616 nan 8.240 nan 0.000 0.467 101 E N 0.280 120.167 120.200 -0.521 0.000 2.158 101 E HA -0.108 4.241 4.350 -0.000 0.000 0.191 101 E C 2.054 178.212 176.600 -0.737 0.000 0.982 101 E CA 0.444 56.102 56.400 -1.238 0.000 0.823 101 E CB 0.029 28.681 29.700 -1.747 0.000 0.766 101 E HN 0.328 nan 8.360 nan 0.000 0.468 102 Q N -0.181 119.250 119.800 -0.614 0.000 2.472 102 Q HA 0.050 4.390 4.340 -0.000 0.000 0.208 102 Q C 1.745 177.547 176.000 -0.330 0.000 0.958 102 Q CA 0.764 56.244 55.803 -0.537 0.000 0.932 102 Q CB 0.240 28.531 28.738 -0.745 0.000 1.007 102 Q HN 0.332 nan 8.270 nan 0.000 0.508 103 A N 1.731 124.415 122.820 -0.226 0.000 1.883 103 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 103 A C -0.413 177.117 177.584 -0.090 0.000 1.186 103 A CA 1.209 53.188 52.037 -0.097 0.000 0.624 103 A CB -1.423 17.623 19.000 0.077 0.000 0.822 103 A HN 0.267 nan 8.150 nan 0.000 0.444 104 P HA -0.121 nan 4.420 nan 0.000 0.215 104 P C 1.681 178.909 177.300 -0.121 0.000 1.153 104 P CA 1.978 65.020 63.100 -0.096 0.000 0.853 104 P CB -0.082 31.569 31.700 -0.081 0.000 0.788 105 A N -0.440 122.293 122.820 -0.145 0.000 2.014 105 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 105 A C 2.230 179.732 177.584 -0.135 0.000 1.163 105 A CA 1.639 53.593 52.037 -0.139 0.000 0.652 105 A CB -1.424 17.483 19.000 -0.156 0.000 0.808 105 A HN 0.181 nan 8.150 nan 0.000 0.449 106 A N -0.736 122.002 122.820 -0.136 0.000 1.929 106 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 106 A C 2.157 179.694 177.584 -0.078 0.000 1.176 106 A CA 1.545 53.516 52.037 -0.110 0.000 0.628 106 A CB -0.586 18.349 19.000 -0.108 0.000 0.816 106 A HN 0.302 nan 8.150 nan 0.000 0.444 107 V N -0.045 119.822 119.914 -0.077 0.000 2.407 107 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 107 V C 2.362 178.401 176.094 -0.092 0.000 1.041 107 V CA 1.663 63.927 62.300 -0.059 0.000 1.040 107 V CB -0.515 31.225 31.823 -0.139 0.000 0.671 107 V HN 0.558 nan 8.190 nan 0.000 0.455 108 I N 0.133 120.626 120.570 -0.128 0.000 2.264 108 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 108 I C 2.553 178.590 176.117 -0.133 0.000 1.111 108 I CA 1.843 63.071 61.300 -0.120 0.000 1.382 108 I CB -0.245 37.689 38.000 -0.110 0.000 1.060 108 I HN 0.433 nan 8.210 nan 0.000 0.418 109 E N 1.099 121.185 120.200 -0.189 0.000 2.058 109 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 109 E C 2.336 178.591 176.600 -0.576 0.000 0.997 109 E CA 1.296 57.464 56.400 -0.388 0.000 0.801 109 E CB -0.019 29.469 29.700 -0.353 0.000 0.746 109 E HN 0.454 nan 8.360 nan 0.000 0.450 110 L N 0.923 122.016 121.223 -0.216 0.000 2.027 110 L HA -0.167 4.172 4.340 -0.000 0.000 0.206 110 L C 2.841 179.784 176.870 0.122 0.000 1.074 110 L CA 1.154 55.991 54.840 -0.005 0.000 0.745 110 L CB -0.498 41.690 42.059 0.214 0.000 0.898 110 L HN 0.205 nan 8.230 nan 0.000 0.433 111 E N 0.705 121.034 120.200 0.216 0.000 2.085 111 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 111 E C 1.760 178.438 176.600 0.131 0.000 0.994 111 E CA 1.455 58.016 56.400 0.268 0.000 0.801 111 E CB -0.079 29.743 29.700 0.204 0.000 0.743 111 E HN 0.451 nan 8.360 nan 0.000 0.453 112 N N -0.285 118.428 118.700 0.023 0.000 2.381 112 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 112 N C 1.525 177.132 175.510 0.162 0.000 1.025 112 N CA 0.696 53.769 53.050 0.038 0.000 0.888 112 N CB -0.456 38.014 38.487 -0.029 0.000 0.965 112 N HN 0.412 nan 8.380 nan 0.000 0.438 113 Y N -0.728 119.619 120.300 0.079 0.000 2.509 113 Y HA 0.032 4.582 4.550 -0.000 0.000 0.293 113 Y C 1.630 177.553 175.900 0.038 0.000 1.133 113 Y CA 0.198 58.331 58.100 0.055 0.000 1.283 113 Y CB 0.344 38.850 38.460 0.076 0.000 1.001 113 Y HN 0.190 nan 8.280 nan 0.000 0.555 114 G N 0.424 109.352 108.800 0.214 0.000 2.205 114 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.180 114 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.180 114 G C 0.160 175.119 174.900 0.098 0.000 1.004 114 G CA -0.227 44.950 45.100 0.128 0.000 0.670 114 G HN 0.207 nan 8.290 nan 0.000 0.496 115 M N 3.164 122.827 119.600 0.106 0.000 2.327 115 M HA 0.299 4.779 4.480 -0.000 0.000 0.353 115 M C -1.538 174.717 176.300 -0.075 0.000 1.539 115 M CA -0.720 54.560 55.300 -0.034 0.000 1.039 115 M CB 0.477 32.998 32.600 -0.131 0.000 1.967 115 M HN 0.025 nan 8.290 nan 0.000 0.459 116 P HA 0.069 nan 4.420 nan 0.000 0.230 116 P C -1.046 176.219 177.300 -0.058 0.000 1.791 116 P CA 0.034 63.113 63.100 -0.035 0.000 1.020 116 P CB -0.758 30.939 31.700 -0.006 0.000 1.977 117 F N 0.611 120.600 119.950 0.065 0.000 2.553 117 F HA 0.015 4.542 4.527 -0.000 0.000 0.356 117 F C 1.737 177.584 175.800 0.079 0.000 1.142 117 F CA 0.734 58.779 58.000 0.074 0.000 1.322 117 F CB 0.169 39.208 39.000 0.065 0.000 1.126 117 F HN 0.102 nan 8.300 nan 0.000 0.599 118 S N 2.945 118.836 115.700 0.319 0.000 2.589 118 S HA 0.353 4.823 4.470 -0.000 0.000 0.265 118 S C 0.161 174.903 174.600 0.237 0.000 1.342 118 S CA -0.637 57.689 58.200 0.210 0.000 1.005 118 S CB 0.462 63.776 63.200 0.189 0.000 0.909 118 S HN 0.338 nan 8.310 nan 0.000 0.555 119 R N 0.785 121.367 120.500 0.137 0.000 2.803 119 R HA 0.500 4.840 4.340 -0.000 0.000 0.276 119 R C 0.193 176.562 176.300 0.116 0.000 0.978 119 R CA -0.631 55.549 56.100 0.134 0.000 0.939 119 R CB 1.352 31.703 30.300 0.086 0.000 1.179 119 R HN 0.828 nan 8.270 nan 0.000 0.472 120 T N -2.007 112.624 114.554 0.127 0.000 2.849 120 T HA 0.214 4.564 4.350 -0.000 0.000 0.276 120 T C 0.992 175.726 174.700 0.055 0.000 0.971 120 T CA -0.647 61.519 62.100 0.110 0.000 0.949 120 T CB 0.947 69.880 68.868 0.109 0.000 1.093 120 T HN 0.328 nan 8.240 nan 0.000 0.545 121 E N 0.343 120.568 120.200 0.043 0.000 2.409 121 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 121 E C 1.426 178.040 176.600 0.022 0.000 1.024 121 E CA 0.808 57.222 56.400 0.024 0.000 0.861 121 E CB -0.014 29.697 29.700 0.018 0.000 0.788 121 E HN 0.765 nan 8.360 nan 0.000 0.521 122 E N -0.758 119.457 120.200 0.026 0.000 2.474 122 E HA 0.169 4.519 4.350 -0.000 0.000 0.195 122 E C 0.972 177.584 176.600 0.020 0.000 1.039 122 E CA 0.330 56.742 56.400 0.019 0.000 0.881 122 E CB 0.512 30.220 29.700 0.014 0.000 0.970 122 E HN 0.222 nan 8.360 nan 0.000 0.486 123 G N 2.186 111.004 108.800 0.029 0.000 2.162 123 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 123 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 123 G C 0.201 175.122 174.900 0.034 0.000 0.976 123 G CA 0.483 45.602 45.100 0.032 0.000 0.655 123 G HN 0.188 nan 8.290 nan 0.000 0.533 124 K N -0.530 119.889 120.400 0.031 0.000 2.132 124 K HA 0.652 4.972 4.320 -0.000 0.000 0.241 124 K C 0.788 177.405 176.600 0.027 0.000 1.000 124 K CA -1.048 55.246 56.287 0.011 0.000 0.911 124 K CB 1.199 33.694 32.500 -0.009 0.000 1.093 124 K HN 0.160 nan 8.250 nan 0.000 0.460 125 I N 2.339 122.887 120.570 -0.037 0.000 2.668 125 I HA -0.100 4.070 4.170 -0.000 0.000 0.285 125 I C 0.019 176.142 176.117 0.010 0.000 1.168 125 I CA 0.035 61.301 61.300 -0.057 0.000 1.424 125 I CB -0.136 37.637 38.000 -0.377 0.000 1.377 125 I HN 0.450 nan 8.210 nan 0.000 0.560 126 Y N 7.834 128.142 120.300 0.014 0.000 2.442 126 Y HA 0.203 4.753 4.550 -0.000 0.000 0.330 126 Y C -0.268 175.654 175.900 0.036 0.000 1.129 126 Y CA -0.173 57.946 58.100 0.032 0.000 1.365 126 Y CB 0.415 38.913 38.460 0.063 0.000 1.233 126 Y HN 0.507 nan 8.280 nan 0.000 0.529 127 Q N 6.482 125.828 119.800 -0.757 0.000 2.365 127 Q HA 0.499 4.839 4.340 -0.000 0.000 0.269 127 Q C -1.064 174.510 176.000 -0.711 0.000 1.061 127 Q CA -1.207 54.250 55.803 -0.577 0.000 0.816 127 Q CB 2.567 31.151 28.738 -0.257 0.000 1.325 127 Q HN 0.796 nan 8.270 nan 0.000 0.446 128 R N -0.017 120.262 120.500 -0.369 0.000 2.902 128 R HA 0.868 5.208 4.340 -0.000 0.000 0.258 128 R C -0.734 175.608 176.300 0.069 0.000 1.071 128 R CA -0.915 55.142 56.100 -0.072 0.000 1.024 128 R CB 0.956 31.322 30.300 0.110 0.000 1.184 128 R HN 0.536 nan 8.270 nan 0.000 0.492 129 A N 0.925 123.814 122.820 0.115 0.000 2.386 129 A HA 0.527 4.847 4.320 -0.000 0.000 0.248 129 A C -0.967 176.713 177.584 0.159 0.000 1.082 129 A CA 0.040 52.054 52.037 -0.039 0.000 0.789 129 A CB 0.049 19.003 19.000 -0.078 0.000 1.025 129 A HN 0.535 nan 8.150 nan 0.000 0.490 130 F N -1.050 118.830 119.950 -0.117 0.000 2.711 130 F HA 0.555 5.082 4.527 -0.000 0.000 0.313 130 F C 0.698 176.437 175.800 -0.103 0.000 1.141 130 F CA -0.068 57.881 58.000 -0.085 0.000 0.941 130 F CB 1.530 40.486 39.000 -0.073 0.000 1.349 130 F HN 0.788 nan 8.300 nan 0.000 0.464 131 G N 0.435 109.144 108.800 -0.152 0.000 2.378 131 G HA2 0.442 4.402 3.960 -0.000 0.000 0.255 131 G HA3 0.442 4.402 3.960 -0.000 0.000 0.255 131 G C 0.620 175.458 174.900 -0.104 0.000 1.270 131 G CA 0.313 45.315 45.100 -0.163 0.000 0.876 131 G HN 1.657 nan 8.290 nan 0.000 0.521 132 G N 1.062 109.788 108.800 -0.123 0.000 2.149 132 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.235 132 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.235 132 G C 0.151 175.105 174.900 0.091 0.000 1.018 132 G CA 0.309 45.385 45.100 -0.039 0.000 0.728 132 G HN 0.830 nan 8.290 nan 0.000 0.508 133 Q N -0.164 119.668 119.800 0.054 0.000 2.365 133 Q HA 0.703 5.043 4.340 -0.000 0.000 0.269 133 Q C -0.040 175.974 176.000 0.024 0.000 1.061 133 Q CA -0.063 55.772 55.803 0.054 0.000 0.816 133 Q CB 2.323 31.066 28.738 0.008 0.000 1.325 133 Q HN 0.743 nan 8.270 nan 0.000 0.446 134 S N 1.464 117.184 115.700 0.034 0.000 2.671 134 S HA 0.710 5.180 4.470 -0.000 0.000 0.277 134 S C -0.929 173.595 174.600 -0.127 0.000 1.165 134 S CA -0.856 57.320 58.200 -0.040 0.000 0.822 134 S CB 0.973 64.164 63.200 -0.015 0.000 1.150 134 S HN 0.481 nan 8.310 nan 0.000 0.479 135 L N 0.936 121.980 121.223 -0.297 0.000 2.358 135 L HA 0.542 4.882 4.340 -0.000 0.000 0.268 135 L C -0.066 176.072 176.870 -1.220 0.000 1.032 135 L CA -1.038 53.384 54.840 -0.696 0.000 0.805 135 L CB 0.644 42.433 42.059 -0.450 0.000 1.253 135 L HN 0.798 nan 8.230 nan 0.000 0.452 136 Q N 1.774 120.036 119.800 -2.564 0.000 2.439 136 Q HA -0.251 4.089 4.340 -0.000 0.000 0.325 136 Q C -0.301 175.129 176.000 -0.950 0.000 1.372 136 Q CA 0.591 55.390 55.803 -1.674 0.000 0.909 136 Q CB -1.823 26.464 28.738 -0.750 0.000 1.167 136 Q HN 0.679 nan 8.270 nan 0.000 0.418 137 F N -1.024 118.358 119.950 -0.947 0.000 3.004 137 F HA -0.298 4.229 4.527 -0.000 0.000 0.264 137 F C 1.540 176.852 175.800 -0.813 0.000 0.979 137 F CA 1.724 59.224 58.000 -0.834 0.000 0.896 137 F CB -1.871 36.690 39.000 -0.733 0.000 0.813 137 F HN 0.636 nan 8.300 nan 0.000 0.804 138 G N -0.853 107.757 108.800 -0.316 0.000 2.234 138 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.235 138 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.235 138 G C 0.989 175.824 174.900 -0.108 0.000 0.997 138 G CA 0.349 45.404 45.100 -0.075 0.000 0.623 138 G HN 0.490 nan 8.290 nan 0.000 0.514 139 K N 0.278 120.562 120.400 -0.193 0.000 2.361 139 K HA 0.339 4.659 4.320 -0.000 0.000 0.194 139 K C 1.981 178.481 176.600 -0.166 0.000 1.032 139 K CA 0.563 56.763 56.287 -0.146 0.000 1.048 139 K CB 0.559 32.984 32.500 -0.125 0.000 0.842 139 K HN 0.320 nan 8.250 nan 0.000 0.526 140 G N 0.924 109.572 108.800 -0.253 0.000 3.502 140 G HA2 0.418 4.378 3.960 -0.000 0.000 0.267 140 G HA3 0.418 4.378 3.960 -0.000 0.000 0.267 140 G C 0.289 175.097 174.900 -0.153 0.000 1.090 140 G CA 0.138 45.102 45.100 -0.227 0.000 0.795 140 G HN 0.347 nan 8.290 nan 0.000 0.535 141 G N -0.272 108.463 108.800 -0.108 0.000 2.712 141 G HA2 0.030 3.990 3.960 -0.000 0.000 0.683 141 G HA3 0.030 3.990 3.960 -0.000 0.000 0.683 141 G C -0.360 174.502 174.900 -0.062 0.000 1.320 141 G CA -0.437 44.629 45.100 -0.056 0.000 0.847 141 G HN 0.631 nan 8.290 nan 0.000 0.553 142 Q N 0.157 119.933 119.800 -0.041 0.000 2.263 142 Q HA 0.572 4.912 4.340 -0.000 0.000 0.289 142 Q C 0.692 176.570 176.000 -0.202 0.000 1.061 142 Q CA 1.239 56.974 55.803 -0.113 0.000 0.927 142 Q CB 0.582 29.246 28.738 -0.123 0.000 1.154 142 Q HN 1.799 nan 8.270 nan 0.000 0.378 143 A N 4.820 127.512 122.820 -0.213 0.000 2.271 143 A HA 0.453 4.773 4.320 -0.000 0.000 0.288 143 A C -0.828 176.457 177.584 -0.498 0.000 1.094 143 A CA -0.384 51.542 52.037 -0.185 0.000 0.828 143 A CB 0.581 19.546 19.000 -0.058 0.000 1.091 143 A HN 0.900 nan 8.150 nan 0.000 0.493 144 H N 0.899 119.962 119.070 -0.012 0.000 2.488 144 H HA 0.266 4.822 4.556 -0.000 0.000 0.237 144 H C 0.019 175.291 175.328 -0.093 0.000 1.395 144 H CA -0.103 55.915 56.048 -0.051 0.000 1.491 144 H CB 0.473 30.198 29.762 -0.061 0.000 1.567 144 H HN 0.854 nan 8.280 nan 0.000 0.508 145 R N -0.422 120.035 120.500 -0.072 0.000 2.572 145 R HA 0.194 4.534 4.340 -0.000 0.000 0.370 145 R C -0.069 176.129 176.300 -0.169 0.000 1.005 145 R CA -0.219 55.811 56.100 -0.116 0.000 1.146 145 R CB -0.292 29.926 30.300 -0.136 0.000 1.390 145 R HN 0.190 nan 8.270 nan 0.000 0.553 146 C N 2.920 122.121 119.300 -0.165 0.000 2.227 146 C HA 0.524 4.984 4.460 -0.000 0.000 0.333 146 C C 0.640 175.530 174.990 -0.167 0.000 1.145 146 C CA -0.806 58.081 59.018 -0.219 0.000 1.643 146 C CB -1.272 26.262 27.740 -0.343 0.000 2.185 146 C HN 0.656 nan 8.230 nan 0.000 0.497 147 C N 5.519 124.745 119.300 -0.123 0.000 2.644 147 C HA 0.622 5.082 4.460 -0.000 0.000 0.417 147 C C 0.890 176.008 174.990 0.212 0.000 1.304 147 C CA -0.404 58.587 59.018 -0.046 0.000 2.035 147 C CB -1.799 25.799 27.740 -0.237 0.000 2.673 147 C HN 1.059 nan 8.230 nan 0.000 0.602 148 C N 0.809 120.340 119.300 0.385 0.000 3.311 148 C HA 0.777 5.237 4.460 -0.000 0.000 0.325 148 C C -0.943 174.270 174.990 0.372 0.000 1.352 148 C CA -0.664 58.567 59.018 0.356 0.000 1.308 148 C CB 0.456 28.329 27.740 0.222 0.000 1.619 148 C HN 0.616 nan 8.230 nan 0.000 0.469 149 V N 3.275 123.266 119.914 0.129 0.000 2.257 149 V HA 0.646 4.765 4.120 -0.000 0.000 0.269 149 V C 1.246 177.386 176.094 0.076 0.000 1.040 149 V CA 1.120 63.445 62.300 0.041 0.000 0.813 149 V CB -0.144 31.622 31.823 -0.095 0.000 1.065 149 V HN 2.128 nan 8.190 nan 0.000 0.457 150 A N 5.011 127.896 122.820 0.109 0.000 5.328 150 A HA -0.299 4.021 4.320 -0.000 0.000 0.346 150 A C 1.064 178.712 177.584 0.107 0.000 1.675 150 A CA 2.042 54.133 52.037 0.089 0.000 0.717 150 A CB -1.182 17.839 19.000 0.035 0.000 1.467 150 A HN 1.097 nan 8.150 nan 0.000 0.409 151 D N -0.277 120.167 120.400 0.072 0.000 2.894 151 D HA 0.416 5.056 4.640 -0.000 0.000 0.273 151 D C 0.368 176.698 176.300 0.050 0.000 1.328 151 D CA -0.019 54.029 54.000 0.080 0.000 0.845 151 D CB -0.235 40.612 40.800 0.079 0.000 1.072 151 D HN 0.576 nan 8.370 nan 0.000 0.484 152 R N -0.467 120.059 120.500 0.042 0.000 2.688 152 R HA 0.200 4.540 4.340 -0.000 0.000 0.396 152 R C 0.492 176.834 176.300 0.069 0.000 1.081 152 R CA -0.205 55.917 56.100 0.037 0.000 1.093 152 R CB 0.347 30.632 30.300 -0.025 0.000 1.338 152 R HN -0.048 nan 8.270 nan 0.000 0.613 153 T N -0.141 114.441 114.554 0.046 0.000 2.788 153 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 153 T C 1.981 176.692 174.700 0.019 0.000 1.044 153 T CA 1.921 64.027 62.100 0.010 0.000 1.139 153 T CB -0.008 68.872 68.868 0.020 0.000 0.867 153 T HN 0.587 nan 8.240 nan 0.000 0.454 154 G N 1.102 109.927 108.800 0.041 0.000 2.421 154 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 154 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 154 G C 1.353 176.292 174.900 0.066 0.000 1.171 154 G CA 0.935 46.053 45.100 0.029 0.000 0.775 154 G HN 0.598 nan 8.290 nan 0.000 0.543 155 H N 1.029 120.109 119.070 0.017 0.000 2.289 155 H HA -0.081 4.475 4.556 -0.000 0.000 0.296 155 H C 2.523 177.938 175.328 0.144 0.000 1.091 155 H CA 1.923 58.028 56.048 0.095 0.000 1.274 155 H CB -0.335 29.477 29.762 0.084 0.000 1.364 155 H HN 0.298 nan 8.280 nan 0.000 0.490 156 S N 0.847 116.608 115.700 0.101 0.000 2.383 156 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 156 S C 2.386 176.965 174.600 -0.036 0.000 1.026 156 S CA 0.836 59.034 58.200 -0.004 0.000 0.981 156 S CB -0.310 62.874 63.200 -0.027 0.000 0.818 156 S HN 0.426 nan 8.310 nan 0.000 0.472 157 L N 0.865 122.068 121.223 -0.034 0.000 2.017 157 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 157 L C 2.199 179.082 176.870 0.021 0.000 1.073 157 L CA 1.317 56.155 54.840 -0.004 0.000 0.745 157 L CB -0.236 41.829 42.059 0.011 0.000 0.894 157 L HN 0.261 nan 8.230 nan 0.000 0.432 158 L N -0.795 120.412 121.223 -0.026 0.000 2.044 158 L HA -0.209 4.131 4.340 -0.000 0.000 0.205 158 L C 2.596 179.394 176.870 -0.121 0.000 1.075 158 L CA 1.752 56.545 54.840 -0.079 0.000 0.747 158 L CB -0.913 41.049 42.059 -0.162 0.000 0.903 158 L HN 0.329 nan 8.230 nan 0.000 0.435 159 H N -1.259 117.751 119.070 -0.099 0.000 2.387 159 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 159 H C 1.981 177.319 175.328 0.018 0.000 1.090 159 H CA 1.880 57.890 56.048 -0.064 0.000 1.332 159 H CB -0.207 29.419 29.762 -0.227 0.000 1.386 159 H HN 0.371 nan 8.280 nan 0.000 0.516 160 T N 1.224 115.840 114.554 0.104 0.000 2.777 160 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 160 T C 2.459 177.204 174.700 0.076 0.000 1.040 160 T CA 0.566 62.720 62.100 0.090 0.000 1.141 160 T CB -0.241 68.689 68.868 0.103 0.000 0.868 160 T HN 0.171 nan 8.240 nan 0.000 0.444 161 L N -0.278 121.021 121.223 0.126 0.000 2.093 161 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 161 L C 2.387 179.311 176.870 0.090 0.000 1.085 161 L CA 1.420 56.369 54.840 0.180 0.000 0.755 161 L CB -0.505 41.703 42.059 0.248 0.000 0.904 161 L HN 0.295 nan 8.230 nan 0.000 0.435 162 Y N 0.687 120.954 120.300 -0.055 0.000 2.200 162 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 162 Y C 2.271 178.089 175.900 -0.137 0.000 1.137 162 Y CA 1.472 59.499 58.100 -0.122 0.000 1.163 162 Y CB -0.551 37.792 38.460 -0.196 0.000 0.988 162 Y HN 0.051 nan 8.280 nan 0.000 0.518 163 G N -0.063 108.646 108.800 -0.150 0.000 2.418 163 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 163 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 163 G C 1.703 176.383 174.900 -0.365 0.000 1.158 163 G CA 0.879 45.833 45.100 -0.244 0.000 0.771 163 G HN 0.301 nan 8.290 nan 0.000 0.545 164 R N 1.616 121.886 120.500 -0.382 0.000 2.096 164 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 164 R C 2.918 178.792 176.300 -0.710 0.000 1.127 164 R CA 1.921 57.651 56.100 -0.615 0.000 0.968 164 R CB -0.724 29.046 30.300 -0.884 0.000 0.861 164 R HN 0.416 nan 8.270 nan 0.000 0.440 165 S N 0.025 115.370 115.700 -0.593 0.000 2.419 165 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 165 S C 1.922 176.369 174.600 -0.255 0.000 1.016 165 S CA 1.199 59.214 58.200 -0.309 0.000 0.974 165 S CB -0.557 62.623 63.200 -0.032 0.000 0.786 165 S HN 0.394 nan 8.310 nan 0.000 0.492 166 L N 0.556 121.508 121.223 -0.451 0.000 2.450 166 L HA 0.017 4.357 4.340 -0.000 0.000 0.224 166 L C 2.614 179.302 176.870 -0.303 0.000 1.149 166 L CA 0.879 55.493 54.840 -0.377 0.000 0.816 166 L CB -0.526 41.294 42.059 -0.399 0.000 0.932 166 L HN 0.334 nan 8.230 nan 0.000 0.449 167 R N -1.493 118.755 120.500 -0.419 0.000 2.297 167 R HA 0.085 4.425 4.340 -0.000 0.000 0.197 167 R C -0.223 175.676 176.300 -0.668 0.000 0.943 167 R CA 0.222 55.978 56.100 -0.573 0.000 1.038 167 R CB 0.095 29.921 30.300 -0.791 0.000 0.957 167 R HN 0.223 nan 8.270 nan 0.000 0.484 168 Y N -0.054 120.175 120.300 -0.119 0.000 2.631 168 Y HA 0.101 4.651 4.550 -0.000 0.000 0.328 168 Y C 1.039 176.951 175.900 0.020 0.000 1.118 168 Y CA -1.357 56.727 58.100 -0.026 0.000 1.206 168 Y CB 0.726 39.200 38.460 0.024 0.000 1.337 168 Y HN -0.046 nan 8.280 nan 0.000 0.515 169 D N -1.041 119.497 120.400 0.230 0.000 2.460 169 D HA 0.028 4.668 4.640 -0.000 0.000 0.229 169 D C -0.459 175.947 176.300 0.175 0.000 1.170 169 D CA -0.088 54.008 54.000 0.160 0.000 0.827 169 D CB -0.779 40.096 40.800 0.126 0.000 0.973 169 D HN 0.388 nan 8.370 nan 0.000 0.496 170 T N 0.700 115.374 114.554 0.200 0.000 2.905 170 T HA 0.063 4.413 4.350 -0.000 0.000 0.299 170 T C 0.337 175.075 174.700 0.063 0.000 1.024 170 T CA 0.186 62.346 62.100 0.100 0.000 1.151 170 T CB 0.779 69.715 68.868 0.114 0.000 0.987 170 T HN 0.006 nan 8.240 nan 0.000 0.535 171 S N 2.574 118.253 115.700 -0.034 0.000 2.452 171 S HA 0.354 4.824 4.470 -0.000 0.000 0.284 171 S C -0.622 173.736 174.600 -0.404 0.000 1.171 171 S CA -0.595 57.565 58.200 -0.067 0.000 1.064 171 S CB -0.002 63.333 63.200 0.225 0.000 0.967 171 S HN 0.474 nan 8.310 nan 0.000 0.484 172 Y N 1.931 122.017 120.300 -0.358 0.000 2.334 172 Y HA 0.478 5.028 4.550 -0.000 0.000 0.328 172 Y C -0.296 175.181 175.900 -0.705 0.000 1.130 172 Y CA -1.027 56.861 58.100 -0.353 0.000 1.163 172 Y CB 0.732 39.092 38.460 -0.168 0.000 1.207 172 Y HN 0.533 nan 8.280 nan 0.000 0.471 173 F N 2.131 121.904 119.950 -0.296 0.000 2.552 173 F HA 0.405 4.932 4.527 -0.000 0.000 0.369 173 F C -0.553 175.104 175.800 -0.238 0.000 1.112 173 F CA -1.013 56.642 58.000 -0.574 0.000 1.129 173 F CB 0.641 38.846 39.000 -1.324 0.000 1.360 173 F HN 0.074 nan 8.300 nan 0.000 0.473 174 V N 2.454 122.476 119.914 0.179 0.000 2.583 174 V HA 0.143 4.263 4.120 -0.000 0.000 0.287 174 V C 0.583 176.934 176.094 0.429 0.000 1.051 174 V CA -0.555 61.919 62.300 0.290 0.000 1.010 174 V CB 0.966 32.966 31.823 0.295 0.000 0.988 174 V HN 0.803 nan 8.190 nan 0.000 0.478 175 E N 2.026 122.430 120.200 0.339 0.000 2.320 175 E HA -0.230 4.120 4.350 -0.000 0.000 0.234 175 E C -1.284 175.493 176.600 0.295 0.000 1.183 175 E CA 0.433 57.008 56.400 0.291 0.000 0.713 175 E CB -0.846 29.037 29.700 0.304 0.000 1.226 175 E HN 0.618 nan 8.360 nan 0.000 0.382 176 Y N -0.191 120.174 120.300 0.109 0.000 2.364 176 Y HA 0.439 4.989 4.550 -0.000 0.000 0.340 176 Y C -0.161 175.810 175.900 0.118 0.000 0.975 176 Y CA -1.087 57.083 58.100 0.117 0.000 1.089 176 Y CB 1.044 39.567 38.460 0.106 0.000 1.192 176 Y HN 0.151 nan 8.280 nan 0.000 0.454 177 F N 3.707 123.715 119.950 0.096 0.000 2.361 177 F HA 0.698 5.225 4.527 -0.000 0.000 0.364 177 F C 0.229 176.065 175.800 0.061 0.000 1.120 177 F CA -0.944 57.080 58.000 0.040 0.000 1.102 177 F CB 0.263 39.248 39.000 -0.024 0.000 1.183 177 F HN 0.600 nan 8.300 nan 0.000 0.476 178 A N 6.909 129.574 122.820 -0.258 0.000 2.488 178 A HA 0.339 4.659 4.320 -0.000 0.000 0.249 178 A C 0.372 177.864 177.584 -0.153 0.000 1.083 178 A CA -0.191 51.759 52.037 -0.146 0.000 0.768 178 A CB 0.312 19.197 19.000 -0.193 0.000 1.017 178 A HN 1.043 nan 8.150 nan 0.000 0.496 179 L N 0.939 122.181 121.223 0.032 0.000 2.349 179 L HA 0.281 4.621 4.340 -0.000 0.000 0.200 179 L C 0.247 177.133 176.870 0.027 0.000 1.064 179 L CA 0.463 55.354 54.840 0.085 0.000 0.821 179 L CB 0.056 42.186 42.059 0.119 0.000 1.027 179 L HN 0.620 nan 8.230 nan 0.000 0.476 180 D N -1.438 118.973 120.400 0.018 0.000 2.665 180 D HA 0.429 5.069 4.640 -0.000 0.000 0.287 180 D C -1.120 175.183 176.300 0.004 0.000 1.266 180 D CA -0.506 53.497 54.000 0.004 0.000 0.830 180 D CB 2.540 43.349 40.800 0.014 0.000 1.356 180 D HN -0.177 nan 8.370 nan 0.000 0.437 181 L N 0.586 121.806 121.223 -0.005 0.000 2.399 181 L HA 0.413 4.753 4.340 -0.000 0.000 0.266 181 L C 0.086 176.964 176.870 0.013 0.000 1.114 181 L CA -0.663 54.176 54.840 -0.001 0.000 0.804 181 L CB 0.678 42.729 42.059 -0.014 0.000 1.146 181 L HN 0.127 nan 8.230 nan 0.000 0.451 182 L N 3.651 124.888 121.223 0.022 0.000 2.287 182 L HA 0.343 4.682 4.340 -0.000 0.000 0.280 182 L C -0.343 176.537 176.870 0.016 0.000 1.055 182 L CA -0.197 54.659 54.840 0.025 0.000 0.863 182 L CB 0.718 42.801 42.059 0.041 0.000 1.245 182 L HN 0.482 nan 8.230 nan 0.000 0.432 183 M N 3.293 122.898 119.600 0.009 0.000 2.318 183 M HA 0.407 4.887 4.480 -0.000 0.000 0.347 183 M C -0.356 175.946 176.300 0.005 0.000 1.175 183 M CA -0.111 55.191 55.300 0.004 0.000 1.075 183 M CB 1.590 34.189 32.600 -0.001 0.000 1.614 183 M HN 0.435 nan 8.290 nan 0.000 0.456 184 E N 1.978 122.180 120.200 0.003 0.000 2.313 184 E HA 0.273 4.623 4.350 -0.000 0.000 0.280 184 E C -0.993 175.607 176.600 -0.000 0.000 0.898 184 E CA -0.121 56.280 56.400 0.003 0.000 0.803 184 E CB 0.748 30.452 29.700 0.006 0.000 1.286 184 E HN 0.845 nan 8.360 nan 0.000 0.401 185 N N 3.065 121.764 118.700 -0.003 0.000 2.758 185 N HA -0.249 4.491 4.740 -0.000 0.000 0.248 185 N C 0.546 176.051 175.510 -0.008 0.000 1.076 185 N CA 0.811 53.858 53.050 -0.005 0.000 0.696 185 N CB -0.821 37.663 38.487 -0.004 0.000 0.979 185 N HN 0.919 nan 8.380 nan 0.000 0.550 186 G N -1.015 107.780 108.800 -0.008 0.000 2.162 186 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 186 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 186 G C -0.258 174.632 174.900 -0.017 0.000 0.976 186 G CA 0.879 45.972 45.100 -0.012 0.000 0.655 186 G HN 0.599 nan 8.290 nan 0.000 0.533 187 E N -0.870 119.322 120.200 -0.012 0.000 2.227 187 E HA 0.515 4.865 4.350 -0.000 0.000 0.268 187 E C -0.356 176.241 176.600 -0.006 0.000 0.907 187 E CA -0.776 55.617 56.400 -0.013 0.000 0.786 187 E CB 2.209 31.906 29.700 -0.005 0.000 1.191 187 E HN 0.234 nan 8.360 nan 0.000 0.411 188 C N 2.499 121.795 119.300 -0.007 0.000 2.415 188 C HA 0.282 4.742 4.460 -0.000 0.000 0.369 188 C C 1.063 176.065 174.990 0.020 0.000 1.279 188 C CA -0.350 58.670 59.018 0.003 0.000 1.886 188 C CB -0.604 27.134 27.740 -0.004 0.000 2.468 188 C HN 0.684 nan 8.230 nan 0.000 0.553 189 R N 3.661 124.177 120.500 0.027 0.000 2.397 189 R HA 0.349 4.689 4.340 -0.000 0.000 0.241 189 R C 0.879 177.214 176.300 0.058 0.000 0.914 189 R CA 0.723 56.847 56.100 0.042 0.000 1.071 189 R CB 0.198 30.520 30.300 0.037 0.000 1.116 189 R HN 1.090 nan 8.270 nan 0.000 0.524 190 G N 0.212 109.043 108.800 0.051 0.000 2.278 190 G HA2 0.008 3.967 3.960 -0.000 0.000 0.265 190 G HA3 0.008 3.967 3.960 -0.000 0.000 0.265 190 G C -1.330 173.608 174.900 0.064 0.000 1.329 190 G CA -0.297 44.846 45.100 0.071 0.000 1.017 190 G HN 0.220 nan 8.290 nan 0.000 0.472 191 V N -1.887 118.096 119.914 0.115 0.000 3.188 191 V HA 0.905 5.025 4.120 -0.000 0.000 0.305 191 V C -0.813 175.397 176.094 0.194 0.000 1.232 191 V CA -0.818 61.544 62.300 0.104 0.000 1.043 191 V CB 1.892 33.730 31.823 0.025 0.000 1.068 191 V HN 1.635 nan 8.190 nan 0.000 0.439 192 I N 2.375 123.034 120.570 0.148 0.000 2.474 192 I HA 0.927 5.097 4.170 -0.000 0.000 0.294 192 I C -0.066 176.172 176.117 0.202 0.000 1.005 192 I CA -0.374 61.032 61.300 0.175 0.000 1.113 192 I CB 1.594 39.650 38.000 0.093 0.000 1.289 192 I HN 1.288 nan 8.210 nan 0.000 0.436 193 A N 6.491 129.489 122.820 0.298 0.000 2.566 193 A HA 0.717 5.037 4.320 -0.000 0.000 0.292 193 A C -1.944 175.827 177.584 0.311 0.000 1.112 193 A CA -0.598 51.633 52.037 0.323 0.000 0.707 193 A CB 1.706 20.968 19.000 0.437 0.000 1.302 193 A HN 0.651 nan 8.150 nan 0.000 0.409 194 L N 1.220 122.598 121.223 0.257 0.000 2.272 194 L HA 0.571 4.911 4.340 -0.000 0.000 0.289 194 L C -0.166 176.700 176.870 -0.007 0.000 1.032 194 L CA -0.427 54.501 54.840 0.146 0.000 0.810 194 L CB 0.890 43.003 42.059 0.089 0.000 1.205 194 L HN 0.787 nan 8.230 nan 0.000 0.422 195 C N 6.712 125.901 119.300 -0.185 0.000 2.520 195 C HA 0.254 4.714 4.460 -0.000 0.000 0.369 195 C C 1.873 176.671 174.990 -0.320 0.000 1.244 195 C CA -0.487 58.102 59.018 -0.715 0.000 1.677 195 C CB -1.591 25.778 27.740 -0.619 0.000 2.324 195 C HN 0.948 nan 8.230 nan 0.000 0.557 196 I N 3.342 123.719 120.570 -0.322 0.000 2.454 196 I HA -0.119 4.051 4.170 -0.000 0.000 0.254 196 I C 2.527 178.457 176.117 -0.310 0.000 1.156 196 I CA 1.274 62.346 61.300 -0.381 0.000 1.433 196 I CB -0.370 37.259 38.000 -0.618 0.000 1.082 196 I HN 0.796 nan 8.210 nan 0.000 0.432 197 E N 1.277 121.430 120.200 -0.078 0.000 2.112 197 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 197 E C 0.781 177.467 176.600 0.143 0.000 0.979 197 E CA 1.472 57.984 56.400 0.186 0.000 0.814 197 E CB 0.214 30.055 29.700 0.235 0.000 0.762 197 E HN 0.595 nan 8.360 nan 0.000 0.460 198 D N -2.169 118.273 120.400 0.069 0.000 2.513 198 D HA 0.138 4.777 4.640 -0.000 0.000 0.222 198 D C 0.986 177.324 176.300 0.062 0.000 1.210 198 D CA 0.456 54.507 54.000 0.086 0.000 0.825 198 D CB 0.419 41.285 40.800 0.110 0.000 1.037 198 D HN 0.221 nan 8.370 nan 0.000 0.506 199 G N 0.662 109.481 108.800 0.031 0.000 2.175 199 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.265 199 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.265 199 G C 0.554 175.513 174.900 0.099 0.000 0.979 199 G CA 0.939 46.067 45.100 0.046 0.000 0.663 199 G HN 0.819 nan 8.290 nan 0.000 0.533 200 T N -1.154 113.465 114.554 0.108 0.000 2.899 200 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 200 T C 0.329 175.129 174.700 0.167 0.000 1.004 200 T CA -0.898 61.280 62.100 0.129 0.000 1.043 200 T CB 2.091 71.025 68.868 0.109 0.000 1.013 200 T HN 0.286 nan 8.240 nan 0.000 0.518 201 I N 2.331 122.943 120.570 0.069 0.000 2.359 201 I HA 0.343 4.513 4.170 -0.000 0.000 0.294 201 I C 0.309 176.353 176.117 -0.121 0.000 0.987 201 I CA -0.550 60.790 61.300 0.065 0.000 1.225 201 I CB 0.879 38.896 38.000 0.028 0.000 1.366 201 I HN 0.726 nan 8.210 nan 0.000 0.466 202 H N 5.957 125.085 119.070 0.096 0.000 2.637 202 H HA 0.507 5.063 4.556 -0.000 0.000 0.363 202 H C -0.593 174.701 175.328 -0.056 0.000 1.131 202 H CA -0.807 55.246 56.048 0.010 0.000 1.183 202 H CB 2.652 32.476 29.762 0.103 0.000 1.637 202 H HN 0.391 nan 8.280 nan 0.000 0.531 203 R N 2.404 122.848 120.500 -0.093 0.000 2.439 203 R HA 0.297 4.637 4.340 -0.000 0.000 0.310 203 R C -1.190 175.019 176.300 -0.152 0.000 0.955 203 R CA -0.692 55.389 56.100 -0.031 0.000 0.853 203 R CB 1.358 31.650 30.300 -0.013 0.000 1.171 203 R HN 0.316 nan 8.270 nan 0.000 0.449 204 F N 2.733 122.756 119.950 0.122 0.000 2.332 204 F HA 0.428 4.955 4.527 -0.000 0.000 0.368 204 F C 0.652 176.513 175.800 0.102 0.000 1.110 204 F CA -0.686 57.381 58.000 0.113 0.000 1.087 204 F CB 1.153 40.108 39.000 -0.076 0.000 1.235 204 F HN 0.173 nan 8.300 nan 0.000 0.470 205 R N 2.398 123.048 120.500 0.251 0.000 2.349 205 R HA 0.864 5.204 4.340 -0.000 0.000 0.299 205 R C -0.633 175.792 176.300 0.208 0.000 1.027 205 R CA -0.602 55.604 56.100 0.176 0.000 0.958 205 R CB 1.419 31.784 30.300 0.108 0.000 1.047 205 R HN 0.736 nan 8.270 nan 0.000 0.468 206 A N 1.516 124.429 122.820 0.156 0.000 2.608 206 A HA 0.230 4.550 4.320 -0.000 0.000 0.292 206 A C -0.096 177.551 177.584 0.106 0.000 1.066 206 A CA -0.810 51.322 52.037 0.157 0.000 0.676 206 A CB 1.488 20.585 19.000 0.163 0.000 1.277 206 A HN 0.790 nan 8.150 nan 0.000 0.413 207 K N 0.294 120.759 120.400 0.108 0.000 2.217 207 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 207 K C -0.034 176.610 176.600 0.073 0.000 1.051 207 K CA 1.319 57.660 56.287 0.089 0.000 0.952 207 K CB -0.016 32.548 32.500 0.107 0.000 0.736 207 K HN 0.631 nan 8.250 nan 0.000 0.453 208 N N -0.280 118.453 118.700 0.054 0.000 2.277 208 N HA 0.195 4.935 4.740 -0.000 0.000 0.286 208 N C -1.631 173.887 175.510 0.014 0.000 1.140 208 N CA -0.455 52.622 53.050 0.045 0.000 0.799 208 N CB 2.450 40.916 38.487 -0.036 0.000 1.596 208 N HN -0.155 nan 8.380 nan 0.000 0.473 209 T N 0.598 115.185 114.554 0.055 0.000 2.881 209 T HA 0.422 4.772 4.350 -0.000 0.000 0.290 209 T C -0.538 174.177 174.700 0.025 0.000 1.000 209 T CA -0.399 61.699 62.100 -0.003 0.000 0.978 209 T CB 1.775 70.639 68.868 -0.006 0.000 0.997 209 T HN 0.070 nan 8.240 nan 0.000 0.443 210 V N 4.694 124.574 119.914 -0.057 0.000 2.417 210 V HA 0.512 4.632 4.120 -0.000 0.000 0.291 210 V C -0.222 175.832 176.094 -0.067 0.000 1.024 210 V CA -0.773 61.504 62.300 -0.038 0.000 0.861 210 V CB 1.498 33.250 31.823 -0.118 0.000 0.985 210 V HN 0.794 nan 8.190 nan 0.000 0.436 211 I N 4.265 124.811 120.570 -0.040 0.000 2.312 211 I HA 0.588 4.758 4.170 -0.000 0.000 0.290 211 I C 0.482 176.568 176.117 -0.052 0.000 1.008 211 I CA -0.201 61.061 61.300 -0.063 0.000 1.226 211 I CB 1.557 39.518 38.000 -0.064 0.000 1.371 211 I HN 0.717 nan 8.210 nan 0.000 0.468 212 A N 3.568 126.351 122.820 -0.062 0.000 3.176 212 A HA 0.225 4.545 4.320 -0.000 0.000 0.265 212 A C 0.866 178.426 177.584 -0.040 0.000 0.936 212 A CA -0.320 51.694 52.037 -0.039 0.000 1.033 212 A CB -0.371 18.605 19.000 -0.041 0.000 1.158 212 A HN 0.709 nan 8.150 nan 0.000 0.485 213 T N -2.596 111.928 114.554 -0.049 0.000 3.194 213 T HA 0.452 4.802 4.350 -0.000 0.000 0.251 213 T C 1.136 175.822 174.700 -0.024 0.000 1.132 213 T CA 0.802 62.871 62.100 -0.053 0.000 1.028 213 T CB -0.389 68.428 68.868 -0.084 0.000 0.976 213 T HN 2.084 nan 8.240 nan 0.000 0.535 214 G N -0.244 108.553 108.800 -0.005 0.000 2.728 214 G HA2 0.274 4.234 3.960 -0.000 0.000 0.294 214 G HA3 0.274 4.234 3.960 -0.000 0.000 0.294 214 G C 0.019 174.909 174.900 -0.017 0.000 1.342 214 G CA -0.593 44.508 45.100 0.001 0.000 0.866 214 G HN 0.852 nan 8.290 nan 0.000 0.534 215 G N -1.803 106.954 108.800 -0.073 0.000 2.606 215 G HA2 0.760 4.720 3.960 -0.000 0.000 0.262 215 G HA3 0.760 4.720 3.960 -0.000 0.000 0.262 215 G C -0.079 174.799 174.900 -0.038 0.000 1.394 215 G CA 0.282 45.296 45.100 -0.142 0.000 1.044 215 G HN 1.978 nan 8.290 nan 0.000 0.553 216 Y N -2.380 117.840 120.300 -0.133 0.000 2.555 216 Y HA 0.519 5.069 4.550 -0.000 0.000 0.317 216 Y C 1.274 177.146 175.900 -0.047 0.000 0.928 216 Y CA -0.679 57.378 58.100 -0.072 0.000 1.116 216 Y CB 0.274 38.713 38.460 -0.035 0.000 1.169 216 Y HN 0.503 nan 8.280 nan 0.000 0.627 217 G N 1.105 109.757 108.800 -0.247 0.000 2.470 217 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.220 217 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.220 217 G C 1.583 176.485 174.900 0.002 0.000 1.121 217 G CA 0.160 45.138 45.100 -0.202 0.000 0.766 217 G HN 0.275 nan 8.290 nan 0.000 0.553 218 R N 0.712 121.227 120.500 0.025 0.000 2.328 218 R HA -0.002 4.338 4.340 -0.000 0.000 0.200 218 R C 2.335 178.722 176.300 0.145 0.000 0.983 218 R CA 1.089 57.230 56.100 0.068 0.000 1.062 218 R CB -0.714 29.610 30.300 0.040 0.000 0.956 218 R HN 0.535 nan 8.270 nan 0.000 0.479 219 T N -2.921 111.764 114.554 0.218 0.000 3.085 219 T HA 0.008 4.357 4.350 -0.000 0.000 0.263 219 T C 0.676 175.418 174.700 0.071 0.000 1.127 219 T CA 0.576 62.777 62.100 0.168 0.000 1.103 219 T CB -0.120 68.893 68.868 0.241 0.000 0.921 219 T HN -0.025 nan 8.240 nan 0.000 0.510 220 Y N -0.561 119.792 120.300 0.089 0.000 2.488 220 Y HA 0.505 5.055 4.550 -0.000 0.000 0.325 220 Y C 0.838 176.823 175.900 0.142 0.000 1.204 220 Y CA -2.158 56.014 58.100 0.120 0.000 1.229 220 Y CB 0.790 39.292 38.460 0.071 0.000 1.274 220 Y HN -0.049 nan 8.280 nan 0.000 0.493 221 F N 0.235 120.313 119.950 0.213 0.000 2.335 221 F HA 0.089 4.616 4.527 -0.000 0.000 0.296 221 F C 0.804 176.674 175.800 0.117 0.000 1.091 221 F CA 0.780 58.861 58.000 0.136 0.000 1.399 221 F CB 0.231 39.302 39.000 0.118 0.000 1.067 221 F HN 0.252 nan 8.300 nan 0.000 0.520 222 S N 0.695 116.458 115.700 0.105 0.000 2.647 222 S HA 0.632 5.102 4.470 -0.000 0.000 0.300 222 S C -0.857 173.741 174.600 -0.004 0.000 1.129 222 S CA -0.416 57.752 58.200 -0.054 0.000 1.029 222 S CB 0.325 63.573 63.200 0.079 0.000 1.007 222 S HN 0.439 nan 8.310 nan 0.000 0.484 223 C N 2.287 121.534 119.300 -0.090 0.000 3.170 223 C HA 0.745 5.205 4.460 -0.000 0.000 0.319 223 C C 1.494 176.412 174.990 -0.119 0.000 1.260 223 C CA 0.027 58.980 59.018 -0.109 0.000 1.374 223 C CB 0.594 28.263 27.740 -0.119 0.000 1.739 223 C HN 0.897 nan 8.230 nan 0.000 0.479 224 T N -0.786 113.726 114.554 -0.071 0.000 3.085 224 T HA 0.104 4.454 4.350 -0.000 0.000 0.263 224 T C 0.718 175.389 174.700 -0.047 0.000 1.127 224 T CA 0.704 62.789 62.100 -0.025 0.000 1.103 224 T CB -0.440 68.507 68.868 0.132 0.000 0.921 224 T HN 0.817 nan 8.240 nan 0.000 0.510 225 S N 1.943 117.527 115.700 -0.192 0.000 2.573 225 S HA 0.563 5.033 4.470 -0.000 0.000 0.277 225 S C 0.751 175.167 174.600 -0.306 0.000 1.346 225 S CA -0.477 57.464 58.200 -0.432 0.000 1.034 225 S CB 0.488 63.436 63.200 -0.419 0.000 0.879 225 S HN 0.779 nan 8.310 nan 0.000 0.528 226 A N 1.629 124.275 122.820 -0.291 0.000 2.346 226 A HA 0.236 4.556 4.320 -0.000 0.000 0.252 226 A C 1.132 178.626 177.584 -0.149 0.000 1.089 226 A CA -0.279 51.708 52.037 -0.084 0.000 0.797 226 A CB -0.152 18.930 19.000 0.136 0.000 1.047 226 A HN 0.989 nan 8.150 nan 0.000 0.494 227 H N 0.405 119.487 119.070 0.020 0.000 2.489 227 H HA -0.106 4.450 4.556 -0.000 0.000 0.295 227 H C 1.886 177.241 175.328 0.045 0.000 1.082 227 H CA 2.086 58.151 56.048 0.029 0.000 1.295 227 H CB -0.252 29.537 29.762 0.046 0.000 1.380 227 H HN 0.806 nan 8.280 nan 0.000 0.548 228 T N -2.279 112.359 114.554 0.139 0.000 3.107 228 T HA 0.086 4.436 4.350 -0.000 0.000 0.249 228 T C 0.955 175.697 174.700 0.070 0.000 1.096 228 T CA -0.212 61.964 62.100 0.127 0.000 1.012 228 T CB 0.015 68.966 68.868 0.139 0.000 0.977 228 T HN -0.067 nan 8.240 nan 0.000 0.527 229 S N 3.182 118.884 115.700 0.003 0.000 3.036 229 S HA 0.297 4.767 4.470 -0.000 0.000 0.301 229 S C 1.036 175.652 174.600 0.026 0.000 1.205 229 S CA -0.433 57.742 58.200 -0.040 0.000 0.999 229 S CB -0.109 62.976 63.200 -0.192 0.000 1.337 229 S HN 0.723 nan 8.310 nan 0.000 0.515 230 T N -1.603 112.993 114.554 0.070 0.000 3.252 230 T HA 0.403 4.753 4.350 -0.000 0.000 0.286 230 T C 1.192 175.956 174.700 0.107 0.000 1.013 230 T CA 0.061 62.227 62.100 0.110 0.000 0.914 230 T CB 0.181 69.126 68.868 0.130 0.000 1.131 230 T HN 0.656 nan 8.240 nan 0.000 0.529 231 G N 2.316 111.183 108.800 0.112 0.000 2.258 231 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.274 231 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.274 231 G C 0.508 175.401 174.900 -0.011 0.000 1.021 231 G CA 0.464 45.609 45.100 0.075 0.000 0.798 231 G HN 0.557 nan 8.290 nan 0.000 0.507 232 D N 0.112 120.494 120.400 -0.031 0.000 2.149 232 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 232 D C 2.389 178.618 176.300 -0.118 0.000 0.990 232 D CA 1.701 55.643 54.000 -0.097 0.000 0.839 232 D CB -0.729 39.919 40.800 -0.254 0.000 0.948 232 D HN 0.575 nan 8.370 nan 0.000 0.460 233 G N 0.059 108.794 108.800 -0.108 0.000 2.403 233 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 233 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 233 G C 1.685 176.534 174.900 -0.086 0.000 1.154 233 G CA 1.190 46.229 45.100 -0.102 0.000 0.784 233 G HN 0.233 nan 8.290 nan 0.000 0.538 234 T N 1.881 116.388 114.554 -0.079 0.000 2.708 234 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 234 T C 2.817 177.451 174.700 -0.111 0.000 1.037 234 T CA 1.561 63.602 62.100 -0.098 0.000 1.146 234 T CB -0.398 68.401 68.868 -0.115 0.000 0.865 234 T HN 0.349 nan 8.240 nan 0.000 0.435 235 A N 1.553 124.314 122.820 -0.099 0.000 1.902 235 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 235 A C 2.368 179.916 177.584 -0.059 0.000 1.181 235 A CA 1.560 53.551 52.037 -0.076 0.000 0.623 235 A CB -0.753 18.223 19.000 -0.040 0.000 0.818 235 A HN 0.480 nan 8.150 nan 0.000 0.443 236 M N -0.802 118.761 119.600 -0.063 0.000 2.108 236 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 236 M C 2.105 178.373 176.300 -0.053 0.000 1.066 236 M CA 1.433 56.702 55.300 -0.052 0.000 1.107 236 M CB -0.593 31.970 32.600 -0.063 0.000 1.356 236 M HN 0.254 nan 8.290 nan 0.000 0.406 237 V N 0.108 119.979 119.914 -0.071 0.000 2.261 237 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 237 V C 2.380 178.428 176.094 -0.077 0.000 1.047 237 V CA 2.395 64.648 62.300 -0.078 0.000 1.015 237 V CB -0.944 30.820 31.823 -0.099 0.000 0.642 237 V HN 0.494 nan 8.190 nan 0.000 0.446 238 T N -0.473 114.027 114.554 -0.091 0.000 2.665 238 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 238 T C 2.032 176.706 174.700 -0.043 0.000 1.035 238 T CA 1.721 63.770 62.100 -0.085 0.000 1.151 238 T CB -0.309 68.499 68.868 -0.100 0.000 0.862 238 T HN 0.364 nan 8.240 nan 0.000 0.438 239 R N 0.628 121.109 120.500 -0.032 0.000 2.193 239 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 239 R C 2.392 178.688 176.300 -0.007 0.000 1.110 239 R CA 0.992 57.086 56.100 -0.010 0.000 0.988 239 R CB -0.246 30.053 30.300 -0.001 0.000 0.871 239 R HN 0.336 nan 8.270 nan 0.000 0.458 240 A N -0.147 122.663 122.820 -0.016 0.000 2.238 240 A HA 0.172 4.492 4.320 -0.000 0.000 0.208 240 A C 1.346 178.932 177.584 0.004 0.000 1.177 240 A CA 0.783 52.815 52.037 -0.010 0.000 0.804 240 A CB -0.071 18.918 19.000 -0.020 0.000 0.823 240 A HN 0.434 nan 8.150 nan 0.000 0.482 241 G N -1.356 107.452 108.800 0.015 0.000 2.143 241 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.248 241 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.248 241 G C 0.057 175.016 174.900 0.099 0.000 0.991 241 G CA 0.448 45.584 45.100 0.061 0.000 0.689 241 G HN 0.449 nan 8.290 nan 0.000 0.522 242 L N 1.315 122.544 121.223 0.011 0.000 2.399 242 L HA 0.577 4.917 4.340 -0.000 0.000 0.265 242 L C -1.540 175.189 176.870 -0.235 0.000 1.089 242 L CA -2.384 52.429 54.840 -0.044 0.000 0.802 242 L CB 1.306 43.322 42.059 -0.072 0.000 1.180 242 L HN -0.053 nan 8.230 nan 0.000 0.454 243 P HA 0.217 nan 4.420 nan 0.000 0.282 243 P C -1.096 175.950 177.300 -0.423 0.000 1.249 243 P CA -0.527 62.080 63.100 -0.822 0.000 0.806 243 P CB 1.446 32.597 31.700 -0.914 0.000 0.984 244 C N 1.211 120.284 119.300 -0.378 0.000 2.423 244 C HA 0.646 5.106 4.460 -0.000 0.000 0.378 244 C C 0.189 175.064 174.990 -0.193 0.000 1.244 244 C CA 0.001 58.882 59.018 -0.227 0.000 1.978 244 C CB 1.409 29.038 27.740 -0.185 0.000 2.252 244 C HN 0.622 nan 8.230 nan 0.000 0.526 245 Q N 0.152 119.888 119.800 -0.108 0.000 2.345 245 Q HA 0.277 4.617 4.340 -0.000 0.000 0.275 245 Q C -1.023 175.009 176.000 0.053 0.000 1.063 245 Q CA -0.333 55.439 55.803 -0.052 0.000 0.819 245 Q CB 1.305 29.976 28.738 -0.112 0.000 1.356 245 Q HN 0.798 nan 8.270 nan 0.000 0.418 246 D N 2.352 122.853 120.400 0.168 0.000 2.955 246 D HA -0.231 4.409 4.640 -0.000 0.000 0.226 246 D C 0.881 177.377 176.300 0.327 0.000 1.178 246 D CA 1.087 55.310 54.000 0.372 0.000 0.808 246 D CB -0.899 40.132 40.800 0.386 0.000 1.099 246 D HN 0.669 nan 8.370 nan 0.000 0.421 247 L N 0.400 121.722 121.223 0.166 0.000 2.351 247 L HA -0.197 4.143 4.340 -0.000 0.000 0.220 247 L C 2.555 179.515 176.870 0.150 0.000 1.127 247 L CA 1.615 56.560 54.840 0.176 0.000 0.786 247 L CB -0.445 41.665 42.059 0.085 0.000 0.914 247 L HN 0.255 nan 8.230 nan 0.000 0.443 248 E N 0.445 120.637 120.200 -0.013 0.000 2.358 248 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 248 E C 0.338 176.773 176.600 -0.275 0.000 1.010 248 E CA 0.340 56.610 56.400 -0.217 0.000 0.856 248 E CB -0.281 29.096 29.700 -0.539 0.000 0.795 248 E HN 0.349 nan 8.360 nan 0.000 0.504 249 F N 2.072 122.056 119.950 0.057 0.000 2.464 249 F HA 0.201 4.728 4.527 -0.000 0.000 0.353 249 F C -0.012 175.813 175.800 0.042 0.000 1.191 249 F CA -0.525 57.523 58.000 0.080 0.000 1.147 249 F CB 0.846 39.899 39.000 0.089 0.000 1.294 249 F HN -0.290 nan 8.300 nan 0.000 0.583 250 V N 3.422 123.426 119.914 0.149 0.000 2.435 250 V HA 0.246 4.366 4.120 -0.000 0.000 0.290 250 V C -0.077 175.969 176.094 -0.080 0.000 1.030 250 V CA -0.946 61.317 62.300 -0.062 0.000 0.881 250 V CB 1.644 33.374 31.823 -0.154 0.000 0.983 250 V HN 0.585 nan 8.190 nan 0.000 0.445 251 Q N 3.484 123.204 119.800 -0.132 0.000 2.294 251 Q HA 0.417 4.757 4.340 -0.000 0.000 0.257 251 Q C -1.499 174.352 176.000 -0.248 0.000 0.955 251 Q CA -0.307 55.482 55.803 -0.023 0.000 0.936 251 Q CB 0.620 29.457 28.738 0.166 0.000 1.188 251 Q HN 0.601 nan 8.270 nan 0.000 0.420 252 F N 3.368 123.304 119.950 -0.023 0.000 2.391 252 F HA 0.200 4.727 4.527 -0.000 0.000 0.359 252 F C 0.518 176.307 175.800 -0.017 0.000 1.122 252 F CA -0.687 57.288 58.000 -0.042 0.000 1.120 252 F CB 0.764 39.715 39.000 -0.082 0.000 1.142 252 F HN 0.549 nan 8.300 nan 0.000 0.483 253 H N 5.694 124.737 119.070 -0.046 0.000 2.683 253 H HA 0.154 4.710 4.556 -0.000 0.000 0.339 253 H C -1.874 173.407 175.328 -0.078 0.000 1.081 253 H CA -1.946 54.003 56.048 -0.164 0.000 1.432 253 H CB 1.762 31.205 29.762 -0.532 0.000 1.462 253 H HN 0.317 nan 8.280 nan 0.000 0.557 254 P HA -0.121 nan 4.420 nan 0.000 0.216 254 P C 0.262 177.659 177.300 0.162 0.000 1.150 254 P CA 2.033 65.143 63.100 0.016 0.000 0.843 254 P CB 0.180 31.814 31.700 -0.111 0.000 0.787 255 T N -3.509 111.275 114.554 0.383 0.000 3.390 255 T HA 0.597 4.947 4.350 -0.000 0.000 0.351 255 T C 0.364 175.059 174.700 -0.007 0.000 1.759 255 T CA -0.878 61.326 62.100 0.173 0.000 1.561 255 T CB 0.001 68.947 68.868 0.129 0.000 1.011 255 T HN -0.022 nan 8.240 nan 0.000 0.689 256 G N 1.741 110.535 108.800 -0.010 0.000 2.444 256 G HA2 0.567 4.527 3.960 -0.000 0.000 0.268 256 G HA3 0.567 4.527 3.960 -0.000 0.000 0.268 256 G C -0.228 174.673 174.900 0.002 0.000 1.203 256 G CA -0.951 44.111 45.100 -0.064 0.000 0.835 256 G HN 0.848 nan 8.290 nan 0.000 0.543 257 I N 1.224 121.782 120.570 -0.020 0.000 2.634 257 I HA 0.209 4.379 4.170 -0.000 0.000 0.284 257 I C 0.020 176.171 176.117 0.058 0.000 1.124 257 I CA -0.841 60.477 61.300 0.031 0.000 1.417 257 I CB 0.549 38.556 38.000 0.011 0.000 1.396 257 I HN 0.523 nan 8.210 nan 0.000 0.571 258 Y N 7.673 127.933 120.300 -0.066 0.000 2.620 258 Y HA 0.359 4.909 4.550 -0.000 0.000 0.330 258 Y C 0.885 176.762 175.900 -0.038 0.000 1.186 258 Y CA 0.933 58.974 58.100 -0.098 0.000 1.467 258 Y CB 0.369 38.634 38.460 -0.325 0.000 1.262 258 Y HN 0.870 nan 8.280 nan 0.000 0.550 259 G N 3.903 112.358 108.800 -0.575 0.000 5.064 259 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.277 259 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.277 259 G C 1.169 175.956 174.900 -0.188 0.000 1.580 259 G CA 0.357 45.195 45.100 -0.438 0.000 1.109 259 G HN 1.397 nan 8.290 nan 0.000 0.695 260 A N 0.389 123.153 122.820 -0.095 0.000 2.015 260 A HA 0.439 4.759 4.320 -0.000 0.000 0.219 260 A C 3.105 180.585 177.584 -0.172 0.000 1.163 260 A CA 2.921 54.897 52.037 -0.102 0.000 0.646 260 A CB -0.886 18.047 19.000 -0.112 0.000 0.806 260 A HN 2.871 nan 8.150 nan 0.000 0.448 261 G N -2.373 106.339 108.800 -0.148 0.000 2.199 261 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 261 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 261 G C 0.361 175.165 174.900 -0.159 0.000 0.982 261 G CA 0.085 45.107 45.100 -0.130 0.000 0.632 261 G HN 0.770 nan 8.290 nan 0.000 0.529 262 C N 1.174 120.328 119.300 -0.242 0.000 2.538 262 C HA 0.356 4.816 4.460 -0.000 0.000 0.408 262 C C 1.405 176.288 174.990 -0.179 0.000 1.421 262 C CA 0.072 58.929 59.018 -0.268 0.000 1.642 262 C CB -0.731 26.741 27.740 -0.447 0.000 2.553 262 C HN 0.766 nan 8.230 nan 0.000 0.604 263 L N 5.542 126.673 121.223 -0.154 0.000 2.490 263 L HA 0.304 4.643 4.340 -0.000 0.000 0.274 263 L C -0.237 176.531 176.870 -0.169 0.000 1.201 263 L CA 0.961 55.678 54.840 -0.206 0.000 0.869 263 L CB 0.079 42.037 42.059 -0.169 0.000 1.123 263 L HN 0.472 nan 8.230 nan 0.000 0.484 264 I N 4.827 125.282 120.570 -0.191 0.000 2.382 264 I HA 0.148 4.318 4.170 -0.000 0.000 0.285 264 I C 0.504 176.577 176.117 -0.073 0.000 1.007 264 I CA -0.281 60.971 61.300 -0.080 0.000 1.142 264 I CB 0.907 38.895 38.000 -0.021 0.000 1.289 264 I HN 0.655 nan 8.210 nan 0.000 0.453 265 T N 4.017 118.565 114.554 -0.010 0.000 2.934 265 T HA -0.096 4.254 4.350 -0.000 0.000 0.321 265 T C 1.307 176.050 174.700 0.072 0.000 1.080 265 T CA 0.496 62.639 62.100 0.072 0.000 1.132 265 T CB 0.365 69.321 68.868 0.148 0.000 1.039 265 T HN 0.752 nan 8.240 nan 0.000 0.543 266 E N 2.254 122.494 120.200 0.067 0.000 2.409 266 E HA -0.017 4.333 4.350 -0.000 0.000 0.198 266 E C 2.016 178.348 176.600 -0.447 0.000 1.024 266 E CA 0.898 57.124 56.400 -0.289 0.000 0.861 266 E CB -0.637 28.673 29.700 -0.650 0.000 0.788 266 E HN 0.903 nan 8.360 nan 0.000 0.521 267 G N 0.374 109.122 108.800 -0.087 0.000 2.432 267 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 267 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 267 G C 1.596 176.518 174.900 0.036 0.000 1.135 267 G CA 0.808 45.987 45.100 0.131 0.000 0.767 267 G HN 0.391 nan 8.290 nan 0.000 0.550 268 C N 0.134 119.439 119.300 0.008 0.000 2.393 268 C HA -0.069 4.391 4.460 -0.000 0.000 0.276 268 C C 3.009 177.982 174.990 -0.028 0.000 1.215 268 C CA 1.108 60.124 59.018 -0.003 0.000 1.743 268 C CB -0.818 26.921 27.740 -0.002 0.000 2.044 268 C HN 0.489 nan 8.230 nan 0.000 0.464 269 R N 0.190 120.644 120.500 -0.076 0.000 2.115 269 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 269 R C 2.470 178.719 176.300 -0.085 0.000 1.100 269 R CA 1.284 57.331 56.100 -0.088 0.000 0.980 269 R CB -0.637 29.579 30.300 -0.139 0.000 0.875 269 R HN 0.622 nan 8.270 nan 0.000 0.445 270 G N 1.143 109.870 108.800 -0.123 0.000 2.432 270 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 270 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 270 G C 1.132 176.067 174.900 0.058 0.000 1.135 270 G CA 0.494 45.568 45.100 -0.043 0.000 0.767 270 G HN 0.212 nan 8.290 nan 0.000 0.550 271 E N 0.067 120.305 120.200 0.064 0.000 2.479 271 E HA 0.198 4.548 4.350 -0.000 0.000 0.193 271 E C 1.693 178.325 176.600 0.054 0.000 1.049 271 E CA 0.570 57.023 56.400 0.088 0.000 0.870 271 E CB 0.371 30.122 29.700 0.085 0.000 0.944 271 E HN 0.472 nan 8.360 nan 0.000 0.492 272 G N 0.756 109.583 108.800 0.045 0.000 2.192 272 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.193 272 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.193 272 G C 0.683 175.658 174.900 0.125 0.000 0.999 272 G CA -0.274 44.871 45.100 0.075 0.000 0.659 272 G HN 0.466 nan 8.290 nan 0.000 0.503 273 G N 0.144 108.971 108.800 0.046 0.000 2.636 273 G HA2 0.653 4.613 3.960 -0.000 0.000 0.246 273 G HA3 0.653 4.613 3.960 -0.000 0.000 0.246 273 G C 0.208 175.147 174.900 0.064 0.000 1.216 273 G CA 0.309 45.451 45.100 0.070 0.000 0.854 273 G HN 1.531 nan 8.290 nan 0.000 0.572 274 I N -2.320 118.284 120.570 0.058 0.000 2.894 274 I HA 0.582 4.752 4.170 -0.000 0.000 0.302 274 I C -0.805 175.272 176.117 -0.066 0.000 1.188 274 I CA -1.321 59.948 61.300 -0.051 0.000 1.014 274 I CB 2.225 40.158 38.000 -0.112 0.000 1.242 274 I HN 0.241 nan 8.210 nan 0.000 0.430 275 L N 4.537 125.657 121.223 -0.172 0.000 2.312 275 L HA 0.582 4.922 4.340 -0.000 0.000 0.281 275 L C -0.557 176.172 176.870 -0.235 0.000 1.070 275 L CA -0.431 54.302 54.840 -0.178 0.000 0.805 275 L CB 1.569 43.439 42.059 -0.316 0.000 1.174 275 L HN 0.507 nan 8.230 nan 0.000 0.434 276 I N 2.818 123.443 120.570 0.091 0.000 2.582 276 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 276 I C -0.501 175.852 176.117 0.393 0.000 1.066 276 I CA -0.659 60.762 61.300 0.203 0.000 1.053 276 I CB 2.208 40.318 38.000 0.184 0.000 1.241 276 I HN 0.688 nan 8.210 nan 0.000 0.421 277 N N 2.688 121.647 118.700 0.431 0.000 2.476 277 N HA 0.129 4.869 4.740 -0.000 0.000 0.287 277 N C 0.884 176.445 175.510 0.086 0.000 1.262 277 N CA -0.312 52.861 53.050 0.205 0.000 0.980 277 N CB 0.335 38.871 38.487 0.082 0.000 1.163 277 N HN 0.501 nan 8.380 nan 0.000 0.592 278 S N -1.867 113.815 115.700 -0.031 0.000 2.493 278 S HA -0.189 4.281 4.470 -0.000 0.000 0.243 278 S C 0.896 175.516 174.600 0.033 0.000 0.991 278 S CA 0.936 59.118 58.200 -0.030 0.000 0.957 278 S CB -0.601 62.543 63.200 -0.094 0.000 0.756 278 S HN 0.665 nan 8.310 nan 0.000 0.521 279 Q N -0.106 119.726 119.800 0.053 0.000 2.219 279 Q HA 0.346 4.686 4.340 -0.000 0.000 0.209 279 Q C 1.192 177.240 176.000 0.080 0.000 0.854 279 Q CA 0.192 56.028 55.803 0.056 0.000 0.960 279 Q CB 0.483 29.246 28.738 0.042 0.000 1.116 279 Q HN 0.748 nan 8.270 nan 0.000 0.500 280 G N 1.635 110.504 108.800 0.114 0.000 2.162 280 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 280 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 280 G C -0.046 174.915 174.900 0.101 0.000 0.976 280 G CA 0.353 45.522 45.100 0.115 0.000 0.655 280 G HN 0.400 nan 8.290 nan 0.000 0.533 281 E N 0.268 120.546 120.200 0.130 0.000 2.338 281 E HA 0.343 4.693 4.350 -0.000 0.000 0.272 281 E C 0.694 177.371 176.600 0.128 0.000 1.029 281 E CA -0.771 55.705 56.400 0.127 0.000 0.872 281 E CB 0.328 30.125 29.700 0.163 0.000 1.015 281 E HN 0.333 nan 8.360 nan 0.000 0.417 282 R N 5.472 125.981 120.500 0.016 0.000 3.701 282 R HA 0.053 4.393 4.340 -0.000 0.000 0.210 282 R C 0.714 176.937 176.300 -0.128 0.000 1.598 282 R CA -0.178 55.842 56.100 -0.133 0.000 1.427 282 R CB -0.596 29.633 30.300 -0.120 0.000 1.339 282 R HN 0.571 nan 8.270 nan 0.000 0.720 283 F N 0.997 121.001 119.950 0.091 0.000 2.287 283 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 283 F C 1.252 177.207 175.800 0.259 0.000 1.069 283 F CA 0.689 58.788 58.000 0.167 0.000 1.372 283 F CB -0.371 38.775 39.000 0.243 0.000 1.056 283 F HN 0.265 nan 8.300 nan 0.000 0.523 284 M N 0.826 120.341 119.600 -0.142 0.000 2.374 284 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 284 M C 1.958 178.314 176.300 0.092 0.000 1.067 284 M CA 1.180 56.517 55.300 0.061 0.000 1.103 284 M CB -1.151 31.362 32.600 -0.144 0.000 1.402 284 M HN 0.404 nan 8.290 nan 0.000 0.444 285 E N -0.174 120.042 120.200 0.026 0.000 2.265 285 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 285 E C 2.114 178.746 176.600 0.053 0.000 0.996 285 E CA 0.844 57.261 56.400 0.028 0.000 0.832 285 E CB 0.011 29.712 29.700 0.003 0.000 0.756 285 E HN 0.447 nan 8.360 nan 0.000 0.491 286 R N -0.251 120.296 120.500 0.078 0.000 2.057 286 R HA -0.086 4.254 4.340 -0.000 0.000 0.224 286 R C 1.715 178.018 176.300 0.004 0.000 1.136 286 R CA 0.970 57.072 56.100 0.002 0.000 0.968 286 R CB -0.182 30.079 30.300 -0.066 0.000 0.863 286 R HN 0.131 nan 8.270 nan 0.000 0.433 287 Y N -0.300 120.066 120.300 0.109 0.000 2.421 287 Y HA 0.142 4.692 4.550 -0.000 0.000 0.292 287 Y C 0.659 176.617 175.900 0.098 0.000 1.136 287 Y CA 0.783 58.950 58.100 0.112 0.000 1.255 287 Y CB 0.409 38.962 38.460 0.154 0.000 0.991 287 Y HN 0.217 nan 8.280 nan 0.000 0.552 288 A N -1.132 121.824 122.820 0.226 0.000 3.307 288 A HA 0.397 4.717 4.320 -0.000 0.000 0.289 288 A C -2.199 175.452 177.584 0.113 0.000 1.138 288 A CA -0.979 51.160 52.037 0.171 0.000 0.860 288 A CB 0.177 19.282 19.000 0.174 0.000 1.318 288 A HN -0.028 nan 8.150 nan 0.000 0.551 289 P HA -0.199 nan 4.420 nan 0.000 0.217 289 P C 1.610 178.939 177.300 0.048 0.000 1.151 289 P CA 1.633 64.765 63.100 0.054 0.000 0.849 289 P CB 0.318 32.042 31.700 0.040 0.000 0.787 290 V N -0.286 119.665 119.914 0.061 0.000 2.256 290 V HA -0.121 3.999 4.120 -0.000 0.000 0.240 290 V C 2.439 178.567 176.094 0.058 0.000 1.036 290 V CA 2.169 64.501 62.300 0.054 0.000 1.008 290 V CB -1.735 30.122 31.823 0.057 0.000 0.648 290 V HN 0.062 nan 8.190 nan 0.000 0.453 291 A N -1.380 121.496 122.820 0.093 0.000 1.969 291 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 291 A C 1.541 179.136 177.584 0.018 0.000 1.169 291 A CA 1.528 53.609 52.037 0.074 0.000 0.635 291 A CB -0.216 18.866 19.000 0.137 0.000 0.810 291 A HN 0.616 nan 8.150 nan 0.000 0.445 292 K N -1.793 118.624 120.400 0.027 0.000 1.699 292 K HA -0.302 4.018 4.320 -0.000 0.000 0.127 292 K C 0.513 177.080 176.600 -0.056 0.000 1.157 292 K CA 2.035 58.317 56.287 -0.009 0.000 0.341 292 K CB -1.455 31.029 32.500 -0.026 0.000 0.645 292 K HN 0.444 nan 8.250 nan 0.000 0.848 293 D N 1.065 121.409 120.400 -0.094 0.000 2.363 293 D HA 0.058 4.697 4.640 -0.000 0.000 0.220 293 D C 0.881 177.096 176.300 -0.142 0.000 0.994 293 D CA 0.650 54.572 54.000 -0.130 0.000 0.890 293 D CB 0.016 40.731 40.800 -0.141 0.000 0.906 293 D HN 0.191 nan 8.370 nan 0.000 0.530 294 L N 0.452 121.601 121.223 -0.123 0.000 2.848 294 L HA 0.398 4.738 4.340 -0.000 0.000 0.240 294 L C 0.780 177.543 176.870 -0.179 0.000 1.232 294 L CA -0.619 54.129 54.840 -0.153 0.000 1.031 294 L CB -0.071 41.918 42.059 -0.116 0.000 1.338 294 L HN 0.005 nan 8.230 nan 0.000 0.509 295 A N -0.052 122.648 122.820 -0.200 0.000 2.250 295 A HA 0.533 4.853 4.320 -0.000 0.000 0.283 295 A C 0.745 178.002 177.584 -0.544 0.000 1.206 295 A CA -0.229 51.594 52.037 -0.356 0.000 0.840 295 A CB 0.361 19.263 19.000 -0.163 0.000 1.220 295 A HN 0.342 nan 8.150 nan 0.000 0.505 296 S N -0.871 114.264 115.700 -0.942 0.000 2.584 296 S HA 0.170 4.640 4.470 -0.000 0.000 0.270 296 S C 0.937 175.341 174.600 -0.327 0.000 1.346 296 S CA 0.052 57.881 58.200 -0.618 0.000 1.018 296 S CB 0.492 63.342 63.200 -0.584 0.000 0.899 296 S HN 0.643 nan 8.310 nan 0.000 0.542 297 R N 1.180 121.538 120.500 -0.237 0.000 2.066 297 R HA -0.098 4.241 4.340 -0.000 0.000 0.232 297 R C 2.036 178.269 176.300 -0.111 0.000 1.131 297 R CA 1.655 57.640 56.100 -0.193 0.000 0.955 297 R CB -0.604 29.583 30.300 -0.188 0.000 0.851 297 R HN 0.915 nan 8.270 nan 0.000 0.432 298 D N 0.507 120.873 120.400 -0.058 0.000 2.158 298 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 298 D C 1.789 178.057 176.300 -0.054 0.000 0.995 298 D CA 1.185 55.176 54.000 -0.016 0.000 0.846 298 D CB -0.442 40.385 40.800 0.046 0.000 0.941 298 D HN 0.098 nan 8.370 nan 0.000 0.456 299 V N 0.864 120.747 119.914 -0.052 0.000 2.283 299 V HA -0.194 3.926 4.120 -0.000 0.000 0.243 299 V C 2.987 179.038 176.094 -0.072 0.000 1.039 299 V CA 1.262 63.546 62.300 -0.027 0.000 1.016 299 V CB -0.354 31.488 31.823 0.032 0.000 0.650 299 V HN 0.102 nan 8.190 nan 0.000 0.449 300 V N -0.292 119.564 119.914 -0.097 0.000 2.332 300 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 300 V C 2.581 178.627 176.094 -0.079 0.000 1.055 300 V CA 2.372 64.621 62.300 -0.085 0.000 1.038 300 V CB -0.844 30.912 31.823 -0.111 0.000 0.651 300 V HN 0.513 nan 8.190 nan 0.000 0.450 301 S N -0.855 114.792 115.700 -0.088 0.000 2.368 301 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 301 S C 2.158 176.672 174.600 -0.144 0.000 1.030 301 S CA 1.439 59.591 58.200 -0.080 0.000 0.999 301 S CB -0.284 62.889 63.200 -0.044 0.000 0.844 301 S HN 0.502 nan 8.310 nan 0.000 0.459 302 R N 0.786 121.174 120.500 -0.187 0.000 2.075 302 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 302 R C 2.603 178.853 176.300 -0.083 0.000 1.126 302 R CA 1.515 57.486 56.100 -0.215 0.000 0.963 302 R CB -0.383 29.783 30.300 -0.222 0.000 0.858 302 R HN 0.302 nan 8.270 nan 0.000 0.435 303 S N 1.024 116.570 115.700 -0.257 0.000 2.348 303 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 303 S C 1.964 176.260 174.600 -0.507 0.000 1.033 303 S CA 1.445 59.219 58.200 -0.710 0.000 1.010 303 S CB -0.172 62.455 63.200 -0.956 0.000 0.891 303 S HN 0.238 nan 8.310 nan 0.000 0.442 304 M N 1.130 120.586 119.600 -0.240 0.000 2.080 304 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 304 M C 2.402 178.582 176.300 -0.200 0.000 1.068 304 M CA 1.468 56.640 55.300 -0.214 0.000 1.109 304 M CB -1.073 31.530 32.600 0.004 0.000 1.342 304 M HN 0.260 nan 8.290 nan 0.000 0.405 305 T N 0.920 115.414 114.554 -0.100 0.000 2.759 305 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 305 T C 1.704 176.401 174.700 -0.004 0.000 1.042 305 T CA 1.251 63.337 62.100 -0.025 0.000 1.140 305 T CB -0.368 68.517 68.868 0.028 0.000 0.864 305 T HN 0.305 nan 8.240 nan 0.000 0.455 306 I N 0.817 121.384 120.570 -0.003 0.000 2.202 306 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 306 I C 2.686 178.758 176.117 -0.075 0.000 1.091 306 I CA 1.042 62.337 61.300 -0.010 0.000 1.368 306 I CB -0.259 37.785 38.000 0.074 0.000 1.058 306 I HN 0.117 nan 8.210 nan 0.000 0.410 307 E N 0.748 120.840 120.200 -0.180 0.000 2.130 307 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 307 E C 2.232 178.712 176.600 -0.199 0.000 0.998 307 E CA 1.468 57.716 56.400 -0.254 0.000 0.806 307 E CB -0.262 29.069 29.700 -0.615 0.000 0.738 307 E HN 0.568 nan 8.360 nan 0.000 0.459 308 I N 1.056 121.521 120.570 -0.175 0.000 2.233 308 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 308 I C 2.625 178.685 176.117 -0.096 0.000 1.093 308 I CA 1.049 62.269 61.300 -0.134 0.000 1.380 308 I CB -0.297 37.641 38.000 -0.103 0.000 1.067 308 I HN 0.068 nan 8.210 nan 0.000 0.413 309 R N 1.300 121.754 120.500 -0.076 0.000 2.235 309 R HA -0.054 4.286 4.340 -0.000 0.000 0.213 309 R C 1.019 177.275 176.300 -0.073 0.000 1.059 309 R CA 1.000 57.060 56.100 -0.068 0.000 0.997 309 R CB -0.411 29.850 30.300 -0.066 0.000 0.884 309 R HN 0.390 nan 8.270 nan 0.000 0.462 310 E N 0.407 120.560 120.200 -0.078 0.000 2.403 310 E HA 0.107 4.457 4.350 -0.000 0.000 0.188 310 E C 0.354 176.912 176.600 -0.070 0.000 1.056 310 E CA 0.226 56.584 56.400 -0.069 0.000 0.892 310 E CB 0.606 30.270 29.700 -0.059 0.000 1.049 310 E HN 0.669 nan 8.360 nan 0.000 0.465 311 G N 2.024 110.777 108.800 -0.077 0.000 2.267 311 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.257 311 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.257 311 G C 0.932 175.778 174.900 -0.090 0.000 0.998 311 G CA 0.212 45.266 45.100 -0.077 0.000 0.620 311 G HN 0.318 nan 8.290 nan 0.000 0.529 312 R N 1.300 121.737 120.500 -0.105 0.000 2.423 312 R HA 0.380 4.720 4.340 -0.000 0.000 0.248 312 R C 1.547 177.748 176.300 -0.165 0.000 1.019 312 R CA 0.205 56.236 56.100 -0.114 0.000 1.119 312 R CB 0.045 30.286 30.300 -0.098 0.000 1.176 312 R HN 0.413 nan 8.270 nan 0.000 0.526 313 G N 0.278 108.968 108.800 -0.184 0.000 2.544 313 G HA2 0.176 4.136 3.960 -0.000 0.000 0.242 313 G HA3 0.176 4.136 3.960 -0.000 0.000 0.242 313 G C -0.104 174.590 174.900 -0.343 0.000 1.247 313 G CA -0.431 44.514 45.100 -0.258 0.000 0.840 313 G HN 0.218 nan 8.290 nan 0.000 0.578 314 C N -0.396 118.562 119.300 -0.570 0.000 2.407 314 C HA 1.012 5.471 4.460 -0.000 0.000 0.366 314 C C 0.929 175.328 174.990 -0.985 0.000 1.213 314 C CA 0.526 59.119 59.018 -0.708 0.000 2.011 314 C CB 0.664 27.795 27.740 -1.014 0.000 2.306 314 C HN 1.703 nan 8.230 nan 0.000 0.527 315 G N 1.886 110.361 108.800 -0.541 0.000 2.746 315 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.685 315 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.685 315 G C -1.774 173.037 174.900 -0.149 0.000 1.350 315 G CA -0.122 44.812 45.100 -0.277 0.000 0.837 315 G HN 0.484 nan 8.290 nan 0.000 0.564 316 P HA -0.032 nan 4.420 nan 0.000 0.221 316 P C 0.853 178.146 177.300 -0.012 0.000 1.145 316 P CA 1.529 64.634 63.100 0.009 0.000 0.795 316 P CB 0.196 31.934 31.700 0.063 0.000 0.775 317 E N -0.524 119.660 120.200 -0.027 0.000 2.476 317 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 317 E C 0.296 176.841 176.600 -0.092 0.000 1.029 317 E CA -0.289 56.101 56.400 -0.018 0.000 0.896 317 E CB -0.001 29.735 29.700 0.060 0.000 1.012 317 E HN 0.182 nan 8.360 nan 0.000 0.475 318 K N 1.998 122.283 120.400 -0.192 0.000 3.148 318 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 318 K C -0.192 176.267 176.600 -0.234 0.000 0.996 318 K CA 1.173 57.315 56.287 -0.242 0.000 0.737 318 K CB -1.346 31.068 32.500 -0.144 0.000 1.308 318 K HN 0.319 nan 8.250 nan 0.000 0.470 319 D N -0.826 119.390 120.400 -0.307 0.000 2.563 319 D HA 0.038 4.678 4.640 -0.000 0.000 0.237 319 D C 0.581 176.828 176.300 -0.088 0.000 1.282 319 D CA -0.057 53.866 54.000 -0.128 0.000 0.816 319 D CB 0.142 40.974 40.800 0.054 0.000 1.066 319 D HN 0.635 nan 8.370 nan 0.000 0.501 320 H N -2.128 116.785 119.070 -0.261 0.000 2.905 320 H HA 0.610 5.166 4.556 -0.000 0.000 0.280 320 H C -0.966 174.201 175.328 -0.268 0.000 1.445 320 H CA -0.895 55.008 56.048 -0.242 0.000 1.165 320 H CB 1.131 30.666 29.762 -0.377 0.000 1.857 320 H HN -0.049 nan 8.280 nan 0.000 0.567 321 V N -2.336 117.596 119.914 0.030 0.000 3.119 321 V HA 0.588 4.708 4.120 -0.000 0.000 0.311 321 V C -1.240 174.871 176.094 0.028 0.000 1.259 321 V CA -1.081 61.179 62.300 -0.066 0.000 1.067 321 V CB 2.014 33.891 31.823 0.091 0.000 1.123 321 V HN 0.772 nan 8.190 nan 0.000 0.463 322 Y N 0.570 120.987 120.300 0.195 0.000 2.341 322 Y HA 0.709 5.259 4.550 -0.000 0.000 0.337 322 Y C -0.353 175.615 175.900 0.113 0.000 1.014 322 Y CA -0.949 57.243 58.100 0.155 0.000 1.111 322 Y CB 2.163 40.706 38.460 0.139 0.000 1.194 322 Y HN 0.646 nan 8.280 nan 0.000 0.462 323 L N 5.140 126.543 121.223 0.299 0.000 2.265 323 L HA 0.349 4.689 4.340 -0.000 0.000 0.289 323 L C -0.670 176.263 176.870 0.105 0.000 1.033 323 L CA -0.325 54.607 54.840 0.153 0.000 0.814 323 L CB 1.251 43.377 42.059 0.111 0.000 1.203 323 L HN 0.646 nan 8.230 nan 0.000 0.423 324 Q N 4.704 124.540 119.800 0.060 0.000 2.314 324 Q HA 0.430 4.770 4.340 -0.000 0.000 0.259 324 Q C -0.645 175.323 176.000 -0.054 0.000 0.951 324 Q CA -0.401 55.382 55.803 -0.034 0.000 0.909 324 Q CB 1.194 29.875 28.738 -0.096 0.000 1.236 324 Q HN 0.962 nan 8.270 nan 0.000 0.444 325 L N 3.562 124.694 121.223 -0.151 0.000 2.878 325 L HA 0.098 4.438 4.340 -0.000 0.000 0.253 325 L C 1.833 178.492 176.870 -0.352 0.000 1.135 325 L CA -0.244 54.447 54.840 -0.249 0.000 0.943 325 L CB -0.116 41.871 42.059 -0.120 0.000 1.307 325 L HN 0.751 nan 8.230 nan 0.000 0.545 326 H N 0.412 119.448 119.070 -0.058 0.000 2.541 326 H HA -0.172 4.384 4.556 -0.000 0.000 0.289 326 H C 1.527 176.833 175.328 -0.036 0.000 1.054 326 H CA 1.429 57.451 56.048 -0.043 0.000 1.250 326 H CB -0.534 29.229 29.762 0.002 0.000 1.369 326 H HN 0.607 nan 8.280 nan 0.000 0.578 327 H N 0.347 119.378 119.070 -0.064 0.000 2.551 327 H HA 0.237 4.793 4.556 -0.000 0.000 0.266 327 H C 0.624 175.957 175.328 0.008 0.000 0.977 327 H CA -0.313 55.744 56.048 0.014 0.000 1.163 327 H CB -0.234 29.507 29.762 -0.036 0.000 1.381 327 H HN 0.235 nan 8.280 nan 0.000 0.581 328 L N 2.250 123.225 121.223 -0.414 0.000 2.418 328 L HA 0.304 4.644 4.340 -0.000 0.000 0.265 328 L C -2.034 174.783 176.870 -0.089 0.000 1.143 328 L CA -2.154 52.550 54.840 -0.228 0.000 0.809 328 L CB 0.502 42.396 42.059 -0.276 0.000 1.124 328 L HN -0.044 nan 8.230 nan 0.000 0.456 329 P HA 0.035 nan 4.420 nan 0.000 0.267 329 P C -2.044 175.240 177.300 -0.027 0.000 1.200 329 P CA -0.958 62.129 63.100 -0.021 0.000 0.772 329 P CB 0.047 31.739 31.700 -0.013 0.000 0.855 330 P HA -0.186 nan 4.420 nan 0.000 0.218 330 P C 1.464 178.752 177.300 -0.020 0.000 1.149 330 P CA 1.226 64.316 63.100 -0.017 0.000 0.817 330 P CB -0.005 31.690 31.700 -0.009 0.000 0.785 331 Q N 0.517 120.305 119.800 -0.020 0.000 2.135 331 Q HA -0.234 4.105 4.340 -0.000 0.000 0.204 331 Q C 2.302 178.284 176.000 -0.031 0.000 0.981 331 Q CA 1.649 57.437 55.803 -0.024 0.000 0.856 331 Q CB -0.318 28.405 28.738 -0.024 0.000 0.902 331 Q HN 0.313 nan 8.270 nan 0.000 0.425 332 Q N -0.106 119.675 119.800 -0.032 0.000 2.084 332 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 332 Q C 2.300 178.282 176.000 -0.030 0.000 0.978 332 Q CA 1.147 56.929 55.803 -0.035 0.000 0.844 332 Q CB -0.030 28.691 28.738 -0.029 0.000 0.898 332 Q HN 0.449 nan 8.270 nan 0.000 0.426 333 L N -0.010 121.195 121.223 -0.030 0.000 2.093 333 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 333 L C 2.547 179.408 176.870 -0.016 0.000 1.085 333 L CA 0.932 55.758 54.840 -0.023 0.000 0.755 333 L CB -0.559 41.484 42.059 -0.027 0.000 0.904 333 L HN 0.251 nan 8.230 nan 0.000 0.435 334 A N -0.629 122.179 122.820 -0.020 0.000 1.968 334 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 334 A C 2.328 179.898 177.584 -0.023 0.000 1.169 334 A CA 2.037 54.063 52.037 -0.018 0.000 0.638 334 A CB -0.584 18.405 19.000 -0.019 0.000 0.812 334 A HN 0.358 nan 8.150 nan 0.000 0.446 335 T N -0.991 113.542 114.554 -0.034 0.000 2.976 335 T HA 0.021 4.371 4.350 -0.000 0.000 0.257 335 T C 1.985 176.657 174.700 -0.048 0.000 1.051 335 T CA 0.802 62.872 62.100 -0.050 0.000 1.141 335 T CB -0.028 68.794 68.868 -0.076 0.000 0.881 335 T HN 0.315 nan 8.240 nan 0.000 0.461 336 R N 0.561 121.042 120.500 -0.032 0.000 2.206 336 R HA 0.326 4.666 4.340 -0.000 0.000 0.198 336 R C 0.760 177.086 176.300 0.043 0.000 0.986 336 R CA 0.460 56.564 56.100 0.007 0.000 1.029 336 R CB -0.040 30.277 30.300 0.029 0.000 0.966 336 R HN 0.345 nan 8.270 nan 0.000 0.487 337 L N 2.168 123.404 121.223 0.023 0.000 3.083 337 L HA 0.259 4.599 4.340 -0.000 0.000 0.286 337 L C -1.648 175.231 176.870 0.015 0.000 1.307 337 L CA -1.002 53.855 54.840 0.028 0.000 0.897 337 L CB 1.353 43.427 42.059 0.025 0.000 1.306 337 L HN -0.114 nan 8.230 nan 0.000 0.569 338 P HA -0.117 nan 4.420 nan 0.000 0.217 338 P C 1.601 178.902 177.300 0.001 0.000 1.151 338 P CA 1.464 64.563 63.100 -0.001 0.000 0.828 338 P CB 0.385 32.078 31.700 -0.012 0.000 0.788 339 G N 1.433 110.234 108.800 0.001 0.000 2.421 339 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 339 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 339 G C 1.544 176.457 174.900 0.022 0.000 1.171 339 G CA 1.347 46.448 45.100 0.002 0.000 0.775 339 G HN 0.395 nan 8.290 nan 0.000 0.543 340 I N -0.791 119.794 120.570 0.026 0.000 2.493 340 I HA 0.048 4.218 4.170 -0.000 0.000 0.254 340 I C 2.457 178.597 176.117 0.039 0.000 1.160 340 I CA 1.615 62.936 61.300 0.034 0.000 1.445 340 I CB -0.573 37.444 38.000 0.028 0.000 1.086 340 I HN -0.016 nan 8.210 nan 0.000 0.433 341 S N 0.773 116.490 115.700 0.028 0.000 2.359 341 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 341 S C 1.941 176.560 174.600 0.032 0.000 1.035 341 S CA 1.856 60.071 58.200 0.025 0.000 1.018 341 S CB -0.446 62.761 63.200 0.012 0.000 0.876 341 S HN 0.681 nan 8.310 nan 0.000 0.448 342 E N 1.263 121.481 120.200 0.031 0.000 2.047 342 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 342 E C 2.060 178.705 176.600 0.075 0.000 0.987 342 E CA 1.821 58.242 56.400 0.035 0.000 0.799 342 E CB -0.767 28.947 29.700 0.024 0.000 0.752 342 E HN 0.381 nan 8.360 nan 0.000 0.449 343 T N 0.546 115.167 114.554 0.112 0.000 2.684 343 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 343 T C 1.833 176.671 174.700 0.231 0.000 1.036 343 T CA 1.723 63.955 62.100 0.220 0.000 1.148 343 T CB -0.697 68.260 68.868 0.147 0.000 0.863 343 T HN 0.376 nan 8.240 nan 0.000 0.436 344 A N 1.428 124.328 122.820 0.133 0.000 1.903 344 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 344 A C 2.258 179.903 177.584 0.102 0.000 1.191 344 A CA 2.374 54.480 52.037 0.114 0.000 0.638 344 A CB -0.728 18.316 19.000 0.073 0.000 0.823 344 A HN 0.469 nan 8.150 nan 0.000 0.451 345 M N 0.107 119.748 119.600 0.068 0.000 2.064 345 M HA -0.003 4.477 4.480 -0.000 0.000 0.260 345 M C 1.902 178.199 176.300 -0.005 0.000 1.073 345 M CA 1.749 57.067 55.300 0.030 0.000 1.124 345 M CB -0.660 31.948 32.600 0.013 0.000 1.326 345 M HN 0.380 nan 8.290 nan 0.000 0.410 346 I N -0.720 119.828 120.570 -0.036 0.000 2.151 346 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 346 I C 1.494 177.406 176.117 -0.342 0.000 1.080 346 I CA 1.556 62.725 61.300 -0.217 0.000 1.339 346 I CB -0.558 37.250 38.000 -0.321 0.000 1.039 346 I HN 0.224 nan 8.210 nan 0.000 0.409 347 F N -0.183 119.773 119.950 0.011 0.000 2.727 347 F HA 0.301 4.828 4.527 -0.000 0.000 0.302 347 F C 1.657 177.469 175.800 0.020 0.000 1.097 347 F CA 0.445 58.452 58.000 0.011 0.000 1.330 347 F CB 0.164 39.167 39.000 0.005 0.000 1.084 347 F HN -0.042 nan 8.300 nan 0.000 0.578 348 A N -0.937 121.976 122.820 0.155 0.000 2.701 348 A HA 0.521 4.841 4.320 -0.000 0.000 0.241 348 A C 1.630 179.263 177.584 0.082 0.000 1.231 348 A CA 0.365 52.479 52.037 0.127 0.000 1.003 348 A CB -0.532 18.552 19.000 0.140 0.000 1.281 348 A HN 0.381 nan 8.150 nan 0.000 0.600 349 G N -0.272 108.557 108.800 0.049 0.000 2.203 349 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.263 349 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.263 349 G C 0.197 175.116 174.900 0.031 0.000 1.012 349 G CA 0.559 45.675 45.100 0.026 0.000 0.749 349 G HN 1.001 nan 8.290 nan 0.000 0.512 350 V N 0.556 120.495 119.914 0.043 0.000 2.481 350 V HA 0.480 4.600 4.120 -0.000 0.000 0.286 350 V C 0.127 176.236 176.094 0.025 0.000 1.042 350 V CA -0.517 61.802 62.300 0.033 0.000 0.928 350 V CB 1.922 33.772 31.823 0.046 0.000 0.986 350 V HN 0.349 nan 8.190 nan 0.000 0.462 351 D N 3.538 123.946 120.400 0.013 0.000 2.428 351 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 351 D C 0.978 177.290 176.300 0.019 0.000 1.123 351 D CA -0.428 53.578 54.000 0.010 0.000 0.869 351 D CB 1.654 42.453 40.800 -0.002 0.000 1.032 351 D HN 0.373 nan 8.370 nan 0.000 0.506 352 V N 2.302 122.232 119.914 0.028 0.000 3.140 352 V HA -0.139 3.981 4.120 -0.000 0.000 0.269 352 V C 1.589 177.715 176.094 0.053 0.000 1.149 352 V CA 2.014 64.338 62.300 0.040 0.000 1.162 352 V CB -1.527 30.311 31.823 0.025 0.000 0.756 352 V HN 0.641 nan 8.190 nan 0.000 0.523 353 T N -3.753 110.823 114.554 0.037 0.000 3.107 353 T HA 0.227 4.577 4.350 -0.000 0.000 0.249 353 T C 1.369 176.100 174.700 0.052 0.000 1.096 353 T CA 0.733 62.860 62.100 0.045 0.000 1.012 353 T CB 0.061 68.938 68.868 0.016 0.000 0.977 353 T HN 0.596 nan 8.240 nan 0.000 0.527 354 K N -0.369 120.043 120.400 0.020 0.000 2.485 354 K HA 0.299 4.618 4.320 -0.000 0.000 0.200 354 K C 0.109 176.607 176.600 -0.169 0.000 1.352 354 K CA 0.040 56.274 56.287 -0.088 0.000 0.953 354 K CB 0.827 33.284 32.500 -0.071 0.000 1.387 354 K HN 0.141 nan 8.250 nan 0.000 0.512 355 E N 1.215 121.396 120.200 -0.031 0.000 2.312 355 E HA 0.311 4.661 4.350 -0.000 0.000 0.267 355 E C -2.746 173.890 176.600 0.060 0.000 0.894 355 E CA -2.282 54.094 56.400 -0.039 0.000 0.773 355 E CB 1.954 31.603 29.700 -0.085 0.000 1.241 355 E HN -0.063 nan 8.360 nan 0.000 0.432 356 P HA 0.218 nan 4.420 nan 0.000 0.272 356 P C -0.109 177.157 177.300 -0.057 0.000 1.230 356 P CA -0.113 62.942 63.100 -0.075 0.000 0.788 356 P CB 0.849 32.364 31.700 -0.307 0.000 0.949 357 I N 3.409 124.026 120.570 0.079 0.000 2.396 357 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 357 I C -1.871 174.403 176.117 0.262 0.000 0.999 357 I CA -2.632 58.746 61.300 0.129 0.000 1.310 357 I CB 1.506 39.568 38.000 0.103 0.000 1.404 357 I HN 0.167 nan 8.210 nan 0.000 0.496 358 P HA 0.198 nan 4.420 nan 0.000 0.287 358 P C -0.982 176.374 177.300 0.093 0.000 1.281 358 P CA -0.130 63.082 63.100 0.187 0.000 0.781 358 P CB 1.245 32.904 31.700 -0.068 0.000 0.903 359 V N 2.099 122.083 119.914 0.116 0.000 3.007 359 V HA 0.842 4.962 4.120 -0.000 0.000 0.311 359 V C -1.119 175.063 176.094 0.147 0.000 1.120 359 V CA -1.215 61.162 62.300 0.128 0.000 0.980 359 V CB 2.131 34.034 31.823 0.133 0.000 1.033 359 V HN 0.476 nan 8.190 nan 0.000 0.429 360 L N 2.103 123.417 121.223 0.151 0.000 2.506 360 L HA 0.875 5.215 4.340 -0.000 0.000 0.257 360 L C -3.081 173.871 176.870 0.136 0.000 0.964 360 L CA -1.537 53.396 54.840 0.155 0.000 0.836 360 L CB 2.527 44.719 42.059 0.222 0.000 1.384 360 L HN 0.519 nan 8.230 nan 0.000 0.410 361 P HA 0.228 nan 4.420 nan 0.000 0.262 361 P C -1.293 176.135 177.300 0.213 0.000 1.182 361 P CA 0.397 63.588 63.100 0.153 0.000 0.761 361 P CB 0.481 32.242 31.700 0.102 0.000 0.795 362 T N 2.250 116.920 114.554 0.194 0.000 2.952 362 T HA 0.215 4.565 4.350 -0.000 0.000 0.305 362 T C -0.341 174.335 174.700 -0.038 0.000 1.064 362 T CA -0.573 61.600 62.100 0.122 0.000 1.008 362 T CB 1.015 69.903 68.868 0.034 0.000 1.078 362 T HN -0.047 nan 8.240 nan 0.000 0.459 363 V N 3.393 123.149 119.914 -0.262 0.000 2.625 363 V HA 0.008 4.128 4.120 -0.000 0.000 0.305 363 V C 0.990 176.925 176.094 -0.264 0.000 1.055 363 V CA 1.150 63.044 62.300 -0.677 0.000 1.209 363 V CB 0.214 31.493 31.823 -0.907 0.000 0.877 363 V HN 1.035 nan 8.190 nan 0.000 0.489 364 H N 4.109 122.969 119.070 -0.350 0.000 2.602 364 H HA 0.285 4.841 4.556 -0.000 0.000 0.222 364 H C -0.408 174.872 175.328 -0.080 0.000 0.886 364 H CA 0.214 56.175 56.048 -0.145 0.000 1.008 364 H CB 0.711 30.483 29.762 0.017 0.000 1.380 364 H HN 0.585 nan 8.280 nan 0.000 0.417 365 Y N 0.620 120.779 120.300 -0.234 0.000 2.552 365 Y HA 0.408 4.958 4.550 -0.000 0.000 0.337 365 Y C -1.766 173.971 175.900 -0.272 0.000 1.094 365 Y CA -1.347 56.574 58.100 -0.299 0.000 1.028 365 Y CB 1.340 39.659 38.460 -0.236 0.000 1.321 365 Y HN 0.030 nan 8.280 nan 0.000 0.456 366 N N 6.046 123.985 118.700 -1.268 0.000 2.462 366 N HA 0.155 4.895 4.740 -0.000 0.000 0.242 366 N C 0.315 175.371 175.510 -0.758 0.000 1.010 366 N CA -0.185 52.336 53.050 -0.881 0.000 0.939 366 N CB 1.581 39.602 38.487 -0.777 0.000 1.127 366 N HN 0.846 nan 8.380 nan 0.000 0.509 367 M N 0.792 120.270 119.600 -0.205 0.000 2.229 367 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 367 M C 1.495 177.860 176.300 0.108 0.000 1.063 367 M CA 0.958 56.339 55.300 0.136 0.000 1.114 367 M CB -0.168 32.572 32.600 0.233 0.000 1.387 367 M HN 0.493 nan 8.290 nan 0.000 0.420 368 G N -1.239 107.621 108.800 0.100 0.000 2.588 368 G HA2 0.566 4.526 3.960 -0.000 0.000 0.281 368 G HA3 0.566 4.526 3.960 -0.000 0.000 0.281 368 G C -0.020 174.921 174.900 0.068 0.000 1.236 368 G CA -0.133 45.039 45.100 0.121 0.000 0.969 368 G HN 0.538 nan 8.290 nan 0.000 0.504 369 G N -1.639 107.180 108.800 0.032 0.000 2.360 369 G HA2 0.320 4.280 3.960 -0.000 0.000 0.276 369 G HA3 0.320 4.280 3.960 -0.000 0.000 0.276 369 G C -1.038 173.825 174.900 -0.062 0.000 1.256 369 G CA -0.893 44.208 45.100 0.001 0.000 0.890 369 G HN 0.719 nan 8.290 nan 0.000 0.486 370 I N 3.499 124.022 120.570 -0.078 0.000 2.587 370 I HA 0.228 4.398 4.170 -0.000 0.000 0.284 370 I C -1.599 174.439 176.117 -0.132 0.000 1.134 370 I CA -1.118 60.116 61.300 -0.110 0.000 1.410 370 I CB 1.046 38.986 38.000 -0.100 0.000 1.392 370 I HN 0.159 nan 8.210 nan 0.000 0.545 371 P HA 0.129 nan 4.420 nan 0.000 0.275 371 P C -0.518 176.680 177.300 -0.169 0.000 1.227 371 P CA -0.125 62.870 63.100 -0.175 0.000 0.781 371 P CB 1.099 32.693 31.700 -0.177 0.000 0.906 372 T N -0.773 113.668 114.554 -0.188 0.000 2.841 372 T HA 0.492 4.842 4.350 -0.000 0.000 0.296 372 T C -0.011 174.587 174.700 -0.171 0.000 1.166 372 T CA -0.890 61.096 62.100 -0.190 0.000 1.007 372 T CB 0.862 69.604 68.868 -0.211 0.000 1.253 372 T HN 0.414 nan 8.240 nan 0.000 0.511 373 N N 0.015 118.617 118.700 -0.163 0.000 2.366 373 N HA 0.163 4.903 4.740 -0.000 0.000 0.277 373 N C 0.861 176.296 175.510 -0.126 0.000 1.275 373 N CA -0.722 52.263 53.050 -0.109 0.000 0.964 373 N CB -0.296 38.116 38.487 -0.125 0.000 1.167 373 N HN 0.909 nan 8.380 nan 0.000 0.568 374 Y N -2.379 117.864 120.300 -0.094 0.000 2.639 374 Y HA 0.223 4.772 4.550 -0.000 0.000 0.297 374 Y C 0.620 176.469 175.900 -0.085 0.000 1.151 374 Y CA 0.624 58.688 58.100 -0.061 0.000 1.335 374 Y CB -0.146 38.303 38.460 -0.018 0.000 0.994 374 Y HN 0.398 nan 8.280 nan 0.000 0.548 375 K N 0.551 120.576 120.400 -0.625 0.000 2.387 375 K HA 0.310 4.630 4.320 -0.000 0.000 0.198 375 K C 1.380 177.908 176.600 -0.121 0.000 1.022 375 K CA 0.413 56.410 56.287 -0.484 0.000 1.128 375 K CB 0.226 32.420 32.500 -0.510 0.000 0.853 375 K HN 0.562 nan 8.250 nan 0.000 0.523 376 G N 1.668 110.419 108.800 -0.082 0.000 2.179 376 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 376 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 376 G C -0.169 174.682 174.900 -0.082 0.000 0.977 376 G CA -0.015 45.097 45.100 0.020 0.000 0.641 376 G HN 0.407 nan 8.290 nan 0.000 0.533 377 Q N 0.490 120.113 119.800 -0.296 0.000 2.296 377 Q HA 0.528 4.868 4.340 -0.000 0.000 0.262 377 Q C 0.560 176.339 176.000 -0.367 0.000 0.981 377 Q CA -0.572 54.873 55.803 -0.596 0.000 0.905 377 Q CB 2.130 30.503 28.738 -0.607 0.000 1.186 377 Q HN 0.194 nan 8.270 nan 0.000 0.399 378 V N 4.866 124.567 119.914 -0.355 0.000 2.673 378 V HA 0.076 4.196 4.120 -0.000 0.000 0.303 378 V C 0.449 176.429 176.094 -0.190 0.000 1.046 378 V CA 0.265 62.430 62.300 -0.224 0.000 1.126 378 V CB -0.212 31.499 31.823 -0.186 0.000 0.934 378 V HN 0.636 nan 8.190 nan 0.000 0.487 379 I N 1.294 121.781 120.570 -0.139 0.000 2.846 379 I HA 0.764 4.934 4.170 -0.000 0.000 0.307 379 I C -0.309 175.776 176.117 -0.053 0.000 1.053 379 I CA -0.428 60.818 61.300 -0.090 0.000 1.050 379 I CB 2.439 40.405 38.000 -0.057 0.000 1.239 379 I HN 0.491 nan 8.210 nan 0.000 0.439 380 T N 0.679 115.229 114.554 -0.008 0.000 2.940 380 T HA 0.493 4.843 4.350 -0.000 0.000 0.288 380 T C -1.513 173.263 174.700 0.126 0.000 1.045 380 T CA -0.318 61.809 62.100 0.045 0.000 1.018 380 T CB 1.012 69.896 68.868 0.026 0.000 1.151 380 T HN 0.813 nan 8.240 nan 0.000 0.529 381 H N 0.665 119.765 119.070 0.050 0.000 3.172 381 H HA 0.609 5.164 4.556 -0.000 0.000 0.322 381 H C -1.707 173.653 175.328 0.053 0.000 1.003 381 H CA -0.379 55.697 56.048 0.048 0.000 1.466 381 H CB 0.606 30.407 29.762 0.066 0.000 1.673 381 H HN 0.325 nan 8.280 nan 0.000 0.512 382 V N 5.805 125.578 119.914 -0.235 0.000 2.407 382 V HA 0.204 4.324 4.120 -0.000 0.000 0.291 382 V C 0.346 176.295 176.094 -0.240 0.000 1.018 382 V CA -0.797 61.401 62.300 -0.170 0.000 0.842 382 V CB 1.133 32.899 31.823 -0.095 0.000 0.996 382 V HN 1.155 nan 8.190 nan 0.000 0.426 383 N N 3.895 122.489 118.700 -0.176 0.000 2.740 383 N HA -0.221 4.519 4.740 -0.000 0.000 0.248 383 N C 1.046 176.427 175.510 -0.215 0.000 1.062 383 N CA 0.598 53.560 53.050 -0.146 0.000 0.704 383 N CB -0.753 37.671 38.487 -0.105 0.000 0.968 383 N HN 1.410 nan 8.380 nan 0.000 0.547 384 G N -0.559 108.026 108.800 -0.358 0.000 2.179 384 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 384 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 384 G C -0.243 174.430 174.900 -0.378 0.000 0.977 384 G CA 0.797 45.715 45.100 -0.304 0.000 0.641 384 G HN 0.750 nan 8.290 nan 0.000 0.533 385 E N 0.270 120.129 120.200 -0.569 0.000 2.317 385 E HA 0.623 4.973 4.350 -0.000 0.000 0.270 385 E C -1.547 174.948 176.600 -0.175 0.000 0.885 385 E CA -1.277 54.969 56.400 -0.256 0.000 0.760 385 E CB 1.677 31.303 29.700 -0.124 0.000 1.227 385 E HN -0.010 nan 8.360 nan 0.000 0.434 386 D N 1.962 122.411 120.400 0.082 0.000 2.304 386 D HA 0.237 4.877 4.640 -0.000 0.000 0.250 386 D C -0.597 175.717 176.300 0.022 0.000 1.107 386 D CA -0.035 54.042 54.000 0.129 0.000 0.885 386 D CB 0.991 41.867 40.800 0.126 0.000 1.192 386 D HN 0.268 nan 8.370 nan 0.000 0.436 387 K N 0.851 121.254 120.400 0.005 0.000 2.443 387 K HA 0.339 4.659 4.320 -0.000 0.000 0.252 387 K C -0.408 176.163 176.600 -0.048 0.000 0.933 387 K CA -0.995 55.276 56.287 -0.028 0.000 0.792 387 K CB 2.672 35.152 32.500 -0.034 0.000 1.185 387 K HN 0.292 nan 8.250 nan 0.000 0.425 388 V N 0.455 120.325 119.914 -0.074 0.000 2.811 388 V HA 0.221 4.341 4.120 -0.000 0.000 0.302 388 V C -0.010 176.017 176.094 -0.111 0.000 1.063 388 V CA -0.458 61.769 62.300 -0.120 0.000 1.088 388 V CB 1.232 32.957 31.823 -0.163 0.000 0.982 388 V HN 0.410 nan 8.190 nan 0.000 0.485 389 V N 7.033 126.864 119.914 -0.139 0.000 2.389 389 V HA 0.308 4.428 4.120 -0.000 0.000 0.264 389 V C -1.990 174.024 176.094 -0.133 0.000 1.049 389 V CA -1.393 60.840 62.300 -0.113 0.000 0.932 389 V CB 0.610 32.365 31.823 -0.112 0.000 1.011 389 V HN 0.948 nan 8.190 nan 0.000 0.475 390 P HA 0.212 nan 4.420 nan 0.000 0.264 390 P C 0.992 178.264 177.300 -0.048 0.000 1.193 390 P CA 1.058 64.116 63.100 -0.069 0.000 0.763 390 P CB 0.602 32.282 31.700 -0.033 0.000 0.810 391 G N 1.369 110.158 108.800 -0.019 0.000 2.179 391 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 391 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 391 G C -0.427 174.504 174.900 0.051 0.000 0.977 391 G CA 0.026 45.156 45.100 0.050 0.000 0.641 391 G HN 0.605 nan 8.290 nan 0.000 0.533 392 L N 0.100 121.275 121.223 -0.080 0.000 2.410 392 L HA 0.871 5.210 4.340 -0.000 0.000 0.270 392 L C -0.890 175.832 176.870 -0.247 0.000 0.983 392 L CA -1.662 53.137 54.840 -0.068 0.000 0.822 392 L CB 1.359 43.363 42.059 -0.092 0.000 1.285 392 L HN 0.126 nan 8.230 nan 0.000 0.409 393 Y N 3.019 123.258 120.300 -0.102 0.000 2.570 393 Y HA 0.889 5.439 4.550 -0.000 0.000 0.345 393 Y C -0.048 175.788 175.900 -0.106 0.000 1.014 393 Y CA -0.596 57.438 58.100 -0.111 0.000 1.063 393 Y CB 2.453 40.840 38.460 -0.122 0.000 1.272 393 Y HN 0.746 nan 8.280 nan 0.000 0.477 394 A N 0.902 123.742 122.820 0.033 0.000 2.549 394 A HA 0.874 5.194 4.320 -0.000 0.000 0.297 394 A C -1.264 176.317 177.584 -0.006 0.000 1.061 394 A CA -0.622 51.408 52.037 -0.011 0.000 0.690 394 A CB 0.639 19.603 19.000 -0.059 0.000 1.287 394 A HN 1.051 nan 8.150 nan 0.000 0.402 395 C N -0.606 118.698 119.300 0.007 0.000 3.288 395 C HA 1.033 5.493 4.460 -0.000 0.000 0.318 395 C C 0.649 175.674 174.990 0.058 0.000 1.356 395 C CA -0.134 58.911 59.018 0.045 0.000 1.359 395 C CB 0.921 28.731 27.740 0.117 0.000 1.688 395 C HN 3.022 nan 8.230 nan 0.000 0.467 396 G N 0.512 109.381 108.800 0.115 0.000 2.660 396 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.215 396 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.215 396 G C 0.313 175.301 174.900 0.145 0.000 1.345 396 G CA 0.639 45.821 45.100 0.137 0.000 0.877 396 G HN 1.402 nan 8.290 nan 0.000 0.549 397 E N -0.114 120.186 120.200 0.167 0.000 2.331 397 E HA 0.038 4.388 4.350 -0.000 0.000 0.199 397 E C 2.599 179.208 176.600 0.015 0.000 1.008 397 E CA 1.822 58.305 56.400 0.138 0.000 0.843 397 E CB -0.374 29.374 29.700 0.080 0.000 0.761 397 E HN 1.056 nan 8.360 nan 0.000 0.507 398 A N 0.338 123.168 122.820 0.017 0.000 2.167 398 A HA 0.286 4.606 4.320 -0.000 0.000 0.214 398 A C 1.049 178.623 177.584 -0.017 0.000 1.151 398 A CA 0.730 52.765 52.037 -0.003 0.000 0.735 398 A CB -0.105 18.886 19.000 -0.014 0.000 0.802 398 A HN 0.310 nan 8.150 nan 0.000 0.467 399 A N -0.908 121.902 122.820 -0.017 0.000 2.281 399 A HA 0.655 4.975 4.320 -0.000 0.000 0.329 399 A C 0.179 177.724 177.584 -0.065 0.000 1.122 399 A CA -0.089 51.910 52.037 -0.063 0.000 0.850 399 A CB 0.853 19.789 19.000 -0.106 0.000 1.207 399 A HN 0.429 nan 8.150 nan 0.000 0.495 400 S N 0.010 115.639 115.700 -0.120 0.000 2.539 400 S HA 0.477 4.947 4.470 -0.000 0.000 0.235 400 S C 0.697 175.160 174.600 -0.228 0.000 1.326 400 S CA 0.094 58.212 58.200 -0.137 0.000 1.183 400 S CB 0.316 63.443 63.200 -0.121 0.000 1.073 400 S HN 1.318 nan 8.310 nan 0.000 0.480 401 A N 2.829 125.472 122.820 -0.296 0.000 1.968 401 A HA 0.217 4.537 4.320 -0.000 0.000 0.217 401 A C 1.300 178.745 177.584 -0.231 0.000 1.169 401 A CA 0.839 52.658 52.037 -0.363 0.000 0.638 401 A CB -0.162 18.408 19.000 -0.715 0.000 0.812 401 A HN 0.809 nan 8.150 nan 0.000 0.446 402 S N 0.004 115.594 115.700 -0.183 0.000 2.498 402 S HA 0.379 4.849 4.470 -0.000 0.000 0.324 402 S C 0.715 175.206 174.600 -0.181 0.000 1.071 402 S CA -0.121 57.965 58.200 -0.189 0.000 1.113 402 S CB 1.236 64.363 63.200 -0.122 0.000 0.976 402 S HN 0.742 nan 8.310 nan 0.000 0.462 403 V N 2.701 122.412 119.914 -0.339 0.000 3.306 403 V HA 0.196 4.316 4.120 -0.000 0.000 0.264 403 V C 1.199 177.058 176.094 -0.392 0.000 1.149 403 V CA 0.716 62.818 62.300 -0.329 0.000 1.143 403 V CB -1.019 30.621 31.823 -0.306 0.000 0.767 403 V HN 0.923 nan 8.190 nan 0.000 0.476 404 H N 0.432 119.505 119.070 0.006 0.000 2.827 404 H HA 0.425 4.981 4.556 -0.000 0.000 0.269 404 H C 1.909 177.207 175.328 -0.050 0.000 1.031 404 H CA 0.230 56.276 56.048 -0.004 0.000 1.202 404 H CB 0.431 30.236 29.762 0.071 0.000 1.511 404 H HN 0.483 nan 8.280 nan 0.000 0.517 405 G N 1.788 110.587 108.800 -0.002 0.000 2.702 405 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.342 405 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.342 405 G C 1.327 176.059 174.900 -0.279 0.000 1.258 405 G CA 1.822 46.859 45.100 -0.104 0.000 0.990 405 G HN 0.581 nan 8.290 nan 0.000 0.548 406 A N 0.331 122.940 122.820 -0.352 0.000 2.308 406 A HA 0.491 4.811 4.320 -0.000 0.000 0.217 406 A C 0.823 178.384 177.584 -0.038 0.000 1.216 406 A CA 1.373 53.116 52.037 -0.489 0.000 0.864 406 A CB -0.117 18.664 19.000 -0.365 0.000 0.902 406 A HN 1.343 nan 8.150 nan 0.000 0.499 407 N N -0.209 118.494 118.700 0.005 0.000 2.666 407 N HA 0.082 4.822 4.740 -0.000 0.000 0.260 407 N C -1.544 173.996 175.510 0.051 0.000 1.077 407 N CA -0.412 52.678 53.050 0.067 0.000 1.026 407 N CB 1.170 39.693 38.487 0.059 0.000 1.653 407 N HN 0.261 nan 8.380 nan 0.000 0.533 408 R N 4.059 124.585 120.500 0.044 0.000 2.357 408 R HA 0.425 4.765 4.340 -0.000 0.000 0.296 408 R C -0.087 176.171 176.300 -0.070 0.000 1.052 408 R CA -0.446 55.623 56.100 -0.051 0.000 0.988 408 R CB 0.765 30.849 30.300 -0.359 0.000 1.025 408 R HN 0.501 nan 8.270 nan 0.000 0.469 409 L N 3.547 124.756 121.223 -0.023 0.000 2.416 409 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 409 L C 1.197 178.071 176.870 0.007 0.000 1.161 409 L CA -0.303 54.538 54.840 0.003 0.000 0.845 409 L CB 0.811 42.910 42.059 0.067 0.000 1.119 409 L HN 0.826 nan 8.230 nan 0.000 0.464 410 G N 1.988 110.851 108.800 0.106 0.000 2.484 410 G HA2 0.276 4.236 3.960 -0.000 0.000 0.235 410 G HA3 0.276 4.236 3.960 -0.000 0.000 0.235 410 G C 0.844 175.789 174.900 0.076 0.000 1.282 410 G CA 0.335 45.589 45.100 0.256 0.000 0.857 410 G HN 1.155 nan 8.290 nan 0.000 0.571 411 A N 1.322 124.063 122.820 -0.132 0.000 3.172 411 A HA -0.189 4.131 4.320 -0.000 0.000 0.263 411 A C 1.663 179.189 177.584 -0.096 0.000 1.215 411 A CA 1.438 53.315 52.037 -0.268 0.000 1.065 411 A CB -1.749 16.891 19.000 -0.600 0.000 1.148 411 A HN 0.637 nan 8.150 nan 0.000 0.904 412 N N -0.759 117.920 118.700 -0.036 0.000 2.356 412 N HA 0.114 4.854 4.740 -0.000 0.000 0.178 412 N C 1.675 177.236 175.510 0.085 0.000 1.075 412 N CA 1.179 54.284 53.050 0.092 0.000 0.889 412 N CB 0.168 38.772 38.487 0.194 0.000 0.999 412 N HN 0.644 nan 8.380 nan 0.000 0.464 413 S N 0.328 115.957 115.700 -0.118 0.000 2.362 413 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 413 S C 1.815 176.445 174.600 0.050 0.000 1.032 413 S CA 0.531 58.672 58.200 -0.097 0.000 0.973 413 S CB -0.154 62.830 63.200 -0.361 0.000 0.849 413 S HN 0.202 nan 8.310 nan 0.000 0.465 414 L N 1.152 122.385 121.223 0.016 0.000 2.127 414 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 414 L C 2.462 179.377 176.870 0.074 0.000 1.089 414 L CA 0.806 55.674 54.840 0.046 0.000 0.757 414 L CB -0.548 41.528 42.059 0.029 0.000 0.899 414 L HN 0.367 nan 8.230 nan 0.000 0.434 415 L N 0.385 121.658 121.223 0.083 0.000 2.005 415 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 415 L C 2.217 179.151 176.870 0.106 0.000 1.072 415 L CA 2.121 57.013 54.840 0.086 0.000 0.744 415 L CB -0.741 41.386 42.059 0.113 0.000 0.895 415 L HN 0.270 nan 8.230 nan 0.000 0.433 416 D N -0.449 120.076 120.400 0.208 0.000 2.116 416 D HA -0.252 4.388 4.640 -0.000 0.000 0.193 416 D C 2.148 178.636 176.300 0.314 0.000 0.998 416 D CA 2.076 56.297 54.000 0.370 0.000 0.836 416 D CB -0.314 40.767 40.800 0.468 0.000 0.951 416 D HN 0.470 nan 8.370 nan 0.000 0.449 417 L N 0.191 121.538 121.223 0.207 0.000 1.990 417 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 417 L C 2.840 179.766 176.870 0.095 0.000 1.072 417 L CA 2.034 56.964 54.840 0.149 0.000 0.755 417 L CB -1.075 41.044 42.059 0.100 0.000 0.889 417 L HN 0.162 nan 8.230 nan 0.000 0.432 418 V N -3.935 116.013 119.914 0.056 0.000 2.453 418 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 418 V C 2.302 178.365 176.094 -0.051 0.000 1.048 418 V CA 1.095 63.398 62.300 0.006 0.000 1.049 418 V CB -0.472 31.366 31.823 0.026 0.000 0.672 418 V HN 0.180 nan 8.190 nan 0.000 0.457 419 V N 0.030 119.881 119.914 -0.105 0.000 2.307 419 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 419 V C 2.417 178.316 176.094 -0.326 0.000 1.045 419 V CA 2.417 64.551 62.300 -0.276 0.000 1.024 419 V CB -0.847 30.703 31.823 -0.456 0.000 0.651 419 V HN 0.519 nan 8.190 nan 0.000 0.449 420 F N 0.920 120.923 119.950 0.090 0.000 2.512 420 F HA 0.178 4.705 4.527 -0.000 0.000 0.296 420 F C 2.277 178.068 175.800 -0.014 0.000 1.110 420 F CA 0.885 58.916 58.000 0.052 0.000 1.446 420 F CB -1.076 37.950 39.000 0.043 0.000 1.092 420 F HN 0.168 nan 8.300 nan 0.000 0.554 421 G N -0.131 108.719 108.800 0.084 0.000 2.403 421 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 421 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 421 G C 1.783 176.620 174.900 -0.105 0.000 1.154 421 G CA 0.535 45.618 45.100 -0.028 0.000 0.784 421 G HN 0.254 nan 8.290 nan 0.000 0.538 422 R N 0.467 120.906 120.500 -0.102 0.000 2.075 422 R HA 0.132 4.472 4.340 -0.000 0.000 0.232 422 R C 2.835 179.084 176.300 -0.085 0.000 1.126 422 R CA 1.408 57.434 56.100 -0.124 0.000 0.963 422 R CB -0.389 29.855 30.300 -0.093 0.000 0.858 422 R HN 0.237 nan 8.270 nan 0.000 0.435 423 A N 0.463 123.269 122.820 -0.024 0.000 1.908 423 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 423 A C 2.429 179.971 177.584 -0.069 0.000 1.181 423 A CA 1.740 53.770 52.037 -0.011 0.000 0.627 423 A CB -1.057 17.955 19.000 0.021 0.000 0.818 423 A HN 0.614 nan 8.150 nan 0.000 0.445 424 C N -1.044 118.212 119.300 -0.074 0.000 2.425 424 C HA 0.044 4.504 4.460 -0.000 0.000 0.277 424 C C 3.288 178.017 174.990 -0.434 0.000 1.280 424 C CA 0.727 59.604 59.018 -0.235 0.000 1.744 424 C CB -1.455 26.146 27.740 -0.232 0.000 1.989 424 C HN 0.710 nan 8.230 nan 0.000 0.491 425 A N 0.289 122.915 122.820 -0.323 0.000 1.930 425 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 425 A C 2.122 179.540 177.584 -0.276 0.000 1.175 425 A CA 1.324 53.153 52.037 -0.347 0.000 0.627 425 A CB -0.519 18.318 19.000 -0.272 0.000 0.815 425 A HN 0.607 nan 8.150 nan 0.000 0.443 426 L N -0.793 120.324 121.223 -0.177 0.000 2.027 426 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 426 L C 2.825 179.623 176.870 -0.120 0.000 1.074 426 L CA 1.794 56.571 54.840 -0.105 0.000 0.745 426 L CB -0.977 41.053 42.059 -0.048 0.000 0.898 426 L HN 0.339 nan 8.230 nan 0.000 0.433 427 T N 0.290 114.761 114.554 -0.139 0.000 2.720 427 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 427 T C 1.898 176.516 174.700 -0.136 0.000 1.037 427 T CA 1.490 63.535 62.100 -0.091 0.000 1.144 427 T CB -0.290 68.586 68.868 0.014 0.000 0.864 427 T HN 0.184 nan 8.240 nan 0.000 0.444 428 I N 1.390 121.745 120.570 -0.359 0.000 2.226 428 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 428 I C 2.868 178.802 176.117 -0.305 0.000 1.100 428 I CA 1.143 62.180 61.300 -0.439 0.000 1.374 428 I CB -0.431 37.089 38.000 -0.801 0.000 1.057 428 I HN 0.199 nan 8.210 nan 0.000 0.413 429 A N 0.928 123.602 122.820 -0.244 0.000 2.015 429 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 429 A C 2.138 179.784 177.584 0.102 0.000 1.163 429 A CA 1.678 53.754 52.037 0.065 0.000 0.646 429 A CB -0.589 18.467 19.000 0.093 0.000 0.806 429 A HN 0.660 nan 8.150 nan 0.000 0.448 430 E N -1.875 118.341 120.200 0.027 0.000 2.474 430 E HA 0.026 4.375 4.350 -0.000 0.000 0.194 430 E C 1.086 177.713 176.600 0.045 0.000 1.041 430 E CA 1.028 57.452 56.400 0.039 0.000 0.874 430 E CB -0.170 29.541 29.700 0.017 0.000 0.914 430 E HN 0.334 nan 8.360 nan 0.000 0.498 431 T N -0.112 114.469 114.554 0.045 0.000 3.000 431 T HA 0.178 4.528 4.350 -0.000 0.000 0.248 431 T C 0.350 175.100 174.700 0.083 0.000 1.034 431 T CA 0.165 62.296 62.100 0.052 0.000 1.060 431 T CB 0.309 69.207 68.868 0.049 0.000 0.983 431 T HN 0.213 nan 8.240 nan 0.000 0.482 432 C N 0.792 120.175 119.300 0.137 0.000 3.161 432 C HA 0.837 5.297 4.460 -0.000 0.000 0.330 432 C C -0.659 174.510 174.990 0.298 0.000 1.396 432 C CA -1.266 57.875 59.018 0.205 0.000 1.536 432 C CB 2.068 29.959 27.740 0.251 0.000 1.978 432 C HN 0.134 nan 8.230 nan 0.000 0.454 433 K N 0.718 121.245 120.400 0.212 0.000 2.371 433 K HA 0.627 4.947 4.320 -0.000 0.000 0.251 433 K C -2.953 173.567 176.600 -0.133 0.000 0.934 433 K CA -1.881 54.424 56.287 0.031 0.000 0.798 433 K CB 1.257 33.757 32.500 -0.001 0.000 1.204 433 K HN 0.225 nan 8.250 nan 0.000 0.427 434 P HA 0.106 nan 4.420 nan 0.000 0.266 434 P C 0.212 177.392 177.300 -0.201 0.000 1.195 434 P CA 0.840 63.567 63.100 -0.622 0.000 0.768 434 P CB 0.680 31.929 31.700 -0.752 0.000 0.838 435 G N 1.066 109.818 108.800 -0.081 0.000 2.199 435 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 435 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 435 G C 0.134 175.033 174.900 -0.001 0.000 0.982 435 G CA -0.185 44.894 45.100 -0.034 0.000 0.632 435 G HN 0.558 nan 8.290 nan 0.000 0.529 436 E N 2.220 122.433 120.200 0.021 0.000 2.437 436 E HA 0.305 4.655 4.350 -0.000 0.000 0.263 436 E C -1.652 174.971 176.600 0.039 0.000 1.030 436 E CA -0.705 55.716 56.400 0.034 0.000 0.934 436 E CB 0.475 30.209 29.700 0.057 0.000 0.943 436 E HN 0.302 nan 8.360 nan 0.000 0.444 437 P HA -0.101 nan 4.420 nan 0.000 0.262 437 P C -0.542 176.781 177.300 0.039 0.000 1.182 437 P CA 0.224 63.340 63.100 0.026 0.000 0.761 437 P CB 0.553 32.264 31.700 0.019 0.000 0.795 438 V N 5.529 125.467 119.914 0.040 0.000 2.465 438 V HA 0.331 4.451 4.120 -0.000 0.000 0.279 438 V C -1.927 174.192 176.094 0.041 0.000 1.045 438 V CA -2.327 60.005 62.300 0.053 0.000 0.938 438 V CB 0.743 32.605 31.823 0.066 0.000 0.986 438 V HN 0.523 nan 8.190 nan 0.000 0.467 439 P HA 0.059 nan 4.420 nan 0.000 0.264 439 P C 0.142 177.460 177.300 0.029 0.000 1.193 439 P CA 0.352 63.471 63.100 0.033 0.000 0.763 439 P CB 0.827 32.547 31.700 0.035 0.000 0.810 440 S N 2.090 117.802 115.700 0.020 0.000 2.587 440 S HA 0.352 4.822 4.470 -0.000 0.000 0.260 440 S C 0.458 175.068 174.600 0.016 0.000 1.353 440 S CA -0.429 57.780 58.200 0.015 0.000 0.995 440 S CB -0.280 62.925 63.200 0.009 0.000 0.912 440 S HN 0.435 nan 8.310 nan 0.000 0.568 441 I N 0.271 120.848 120.570 0.012 0.000 2.607 441 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 441 I C -0.453 175.667 176.117 0.005 0.000 1.129 441 I CA -1.334 59.973 61.300 0.012 0.000 1.042 441 I CB 1.894 39.903 38.000 0.016 0.000 1.242 441 I HN 0.584 nan 8.210 nan 0.000 0.421 442 K N 3.611 124.013 120.400 0.004 0.000 2.561 442 K HA 0.107 4.427 4.320 -0.000 0.000 0.280 442 K C -2.011 174.588 176.600 -0.002 0.000 0.975 442 K CA -0.557 55.730 56.287 0.001 0.000 1.024 442 K CB 0.012 32.512 32.500 0.000 0.000 0.883 442 K HN 0.345 nan 8.250 nan 0.000 0.496 443 P HA -0.256 nan 4.420 nan 0.000 0.218 443 P C 0.218 177.514 177.300 -0.007 0.000 1.150 443 P CA 1.658 64.753 63.100 -0.007 0.000 0.841 443 P CB -0.063 31.633 31.700 -0.007 0.000 0.784 444 N N -1.512 117.186 118.700 -0.004 0.000 2.321 444 N HA 0.168 4.908 4.740 -0.000 0.000 0.242 444 N C -0.141 175.367 175.510 -0.002 0.000 1.141 444 N CA -0.307 52.741 53.050 -0.004 0.000 0.864 444 N CB -0.142 38.344 38.487 -0.003 0.000 1.100 444 N HN -0.103 nan 8.380 nan 0.000 0.510 445 A N -0.125 122.695 122.820 -0.000 0.000 2.520 445 A HA 0.497 4.817 4.320 -0.000 0.000 0.245 445 A C 1.500 179.086 177.584 0.004 0.000 1.072 445 A CA 0.608 52.648 52.037 0.004 0.000 0.761 445 A CB -0.520 18.486 19.000 0.010 0.000 1.004 445 A HN 0.811 nan 8.150 nan 0.000 0.499 446 G N 1.431 110.234 108.800 0.004 0.000 2.217 446 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.246 446 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.246 446 G C 0.985 175.879 174.900 -0.009 0.000 0.990 446 G CA 1.015 46.117 45.100 0.004 0.000 0.627 446 G HN 1.249 nan 8.290 nan 0.000 0.522 447 E N 0.594 120.787 120.200 -0.011 0.000 2.171 447 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 447 E C 1.816 178.402 176.600 -0.024 0.000 0.997 447 E CA 1.821 58.210 56.400 -0.018 0.000 0.810 447 E CB -0.207 29.487 29.700 -0.009 0.000 0.738 447 E HN 0.464 nan 8.360 nan 0.000 0.467 448 E N 0.897 121.087 120.200 -0.016 0.000 2.208 448 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 448 E C 1.897 178.483 176.600 -0.023 0.000 0.988 448 E CA 1.276 57.666 56.400 -0.016 0.000 0.828 448 E CB -0.244 29.452 29.700 -0.008 0.000 0.763 448 E HN 0.254 nan 8.360 nan 0.000 0.478 449 S N -0.735 114.952 115.700 -0.022 0.000 2.368 449 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 449 S C 1.951 176.509 174.600 -0.069 0.000 1.029 449 S CA 1.127 59.313 58.200 -0.023 0.000 0.988 449 S CB -0.218 62.981 63.200 -0.001 0.000 0.838 449 S HN 0.178 nan 8.310 nan 0.000 0.462 450 V N 2.080 121.931 119.914 -0.106 0.000 2.307 450 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 450 V C 2.661 178.639 176.094 -0.192 0.000 1.045 450 V CA 1.622 63.784 62.300 -0.230 0.000 1.024 450 V CB -1.309 30.373 31.823 -0.236 0.000 0.651 450 V HN 0.523 nan 8.190 nan 0.000 0.449 451 A N 0.840 123.605 122.820 -0.091 0.000 1.873 451 A HA -0.371 3.949 4.320 -0.000 0.000 0.218 451 A C 2.083 179.647 177.584 -0.034 0.000 1.193 451 A CA 2.723 54.735 52.037 -0.041 0.000 0.629 451 A CB -1.071 17.919 19.000 -0.017 0.000 0.826 451 A HN 0.655 nan 8.150 nan 0.000 0.447 452 N N -0.264 118.414 118.700 -0.036 0.000 2.061 452 N HA -0.169 4.571 4.740 -0.000 0.000 0.193 452 N C 1.665 177.153 175.510 -0.036 0.000 1.030 452 N CA 1.841 54.875 53.050 -0.027 0.000 0.856 452 N CB -0.386 38.089 38.487 -0.020 0.000 1.023 452 N HN 0.506 nan 8.380 nan 0.000 0.424 453 L N 0.243 121.422 121.223 -0.073 0.000 2.012 453 L HA -0.197 4.142 4.340 -0.000 0.000 0.210 453 L C 2.100 178.939 176.870 -0.052 0.000 1.073 453 L CA 1.960 56.743 54.840 -0.094 0.000 0.748 453 L CB -0.684 41.275 42.059 -0.167 0.000 0.891 453 L HN 0.357 nan 8.230 nan 0.000 0.431 454 D N -0.115 120.261 120.400 -0.040 0.000 2.149 454 D HA -0.300 4.340 4.640 -0.000 0.000 0.198 454 D C 2.092 178.527 176.300 0.225 0.000 0.990 454 D CA 1.594 55.700 54.000 0.176 0.000 0.839 454 D CB 0.086 41.042 40.800 0.260 0.000 0.948 454 D HN 0.409 nan 8.370 nan 0.000 0.460 455 K N 0.360 120.829 120.400 0.115 0.000 2.097 455 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 455 K C 2.471 179.110 176.600 0.065 0.000 1.050 455 K CA 0.633 56.979 56.287 0.098 0.000 0.938 455 K CB -0.067 32.455 32.500 0.037 0.000 0.718 455 K HN 0.184 nan 8.250 nan 0.000 0.442 456 L N 0.405 121.634 121.223 0.011 0.000 2.156 456 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 456 L C 2.804 179.637 176.870 -0.062 0.000 1.095 456 L CA 0.719 55.542 54.840 -0.028 0.000 0.770 456 L CB -0.389 41.640 42.059 -0.050 0.000 0.914 456 L HN 0.241 nan 8.230 nan 0.000 0.439 457 R N 0.473 120.908 120.500 -0.109 0.000 2.083 457 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 457 R C 1.729 177.781 176.300 -0.415 0.000 1.137 457 R CA 1.893 57.804 56.100 -0.314 0.000 0.951 457 R CB -0.133 29.874 30.300 -0.488 0.000 0.851 457 R HN 0.207 nan 8.270 nan 0.000 0.434 458 F N 0.632 120.584 119.950 0.004 0.000 2.693 458 F HA 0.363 4.890 4.527 -0.000 0.000 0.303 458 F C 0.741 176.517 175.800 -0.039 0.000 1.097 458 F CA -0.202 57.791 58.000 -0.012 0.000 1.330 458 F CB 0.005 39.005 39.000 0.000 0.000 1.067 458 F HN 0.014 nan 8.300 nan 0.000 0.565 459 A N 0.646 123.504 122.820 0.064 0.000 2.584 459 A HA 0.005 4.325 4.320 -0.000 0.000 0.239 459 A C 0.624 178.179 177.584 -0.048 0.000 1.043 459 A CA 0.598 52.640 52.037 0.008 0.000 0.756 459 A CB -0.197 18.788 19.000 -0.025 0.000 0.963 459 A HN 0.256 nan 8.150 nan 0.000 0.511 460 D N 1.741 122.115 120.400 -0.044 0.000 2.908 460 D HA 0.326 4.966 4.640 -0.000 0.000 0.361 460 D C 0.849 177.103 176.300 -0.077 0.000 1.416 460 D CA 0.620 54.562 54.000 -0.097 0.000 0.796 460 D CB -0.120 40.647 40.800 -0.057 0.000 1.185 460 D HN 0.642 nan 8.370 nan 0.000 0.451 461 G N -0.588 108.181 108.800 -0.052 0.000 2.624 461 G HA2 0.215 4.175 3.960 -0.000 0.000 0.217 461 G HA3 0.215 4.175 3.960 -0.000 0.000 0.217 461 G C 1.041 175.918 174.900 -0.039 0.000 1.506 461 G CA 0.744 45.842 45.100 -0.004 0.000 1.072 461 G HN 0.196 nan 8.290 nan 0.000 0.568 462 T N -2.608 111.937 114.554 -0.016 0.000 2.985 462 T HA 0.374 4.724 4.350 -0.000 0.000 0.254 462 T C 0.701 175.408 174.700 0.011 0.000 1.021 462 T CA -0.064 62.018 62.100 -0.029 0.000 0.957 462 T CB 0.040 68.858 68.868 -0.084 0.000 1.047 462 T HN 0.181 nan 8.240 nan 0.000 0.511 463 I N 3.737 124.332 120.570 0.041 0.000 2.354 463 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 463 I C 0.222 176.378 176.117 0.065 0.000 1.007 463 I CA -1.183 60.153 61.300 0.060 0.000 1.167 463 I CB 1.367 39.411 38.000 0.073 0.000 1.320 463 I HN 0.216 nan 8.210 nan 0.000 0.458 464 R N 3.632 124.192 120.500 0.100 0.000 2.594 464 R HA 0.294 4.634 4.340 -0.000 0.000 0.272 464 R C 0.501 176.870 176.300 0.114 0.000 1.074 464 R CA -0.441 55.748 56.100 0.149 0.000 1.105 464 R CB 0.426 30.901 30.300 0.291 0.000 1.008 464 R HN 0.517 nan 8.270 nan 0.000 0.472 465 T N 1.736 116.355 114.554 0.107 0.000 2.594 465 T HA -0.295 4.055 4.350 -0.000 0.000 0.266 465 T C 1.863 176.611 174.700 0.080 0.000 1.070 465 T CA 2.678 64.824 62.100 0.077 0.000 1.166 465 T CB -0.491 68.417 68.868 0.067 0.000 0.862 465 T HN 0.857 nan 8.240 nan 0.000 0.436 466 S N 0.975 116.728 115.700 0.089 0.000 2.440 466 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 466 S C 1.882 176.534 174.600 0.086 0.000 1.010 466 S CA 1.405 59.655 58.200 0.082 0.000 0.972 466 S CB -0.348 62.894 63.200 0.070 0.000 0.774 466 S HN 0.672 nan 8.310 nan 0.000 0.501 467 E N 1.442 121.694 120.200 0.086 0.000 2.060 467 E HA 0.073 4.423 4.350 -0.000 0.000 0.189 467 E C 2.238 178.882 176.600 0.073 0.000 0.974 467 E CA 0.671 57.119 56.400 0.079 0.000 0.808 467 E CB -0.354 29.393 29.700 0.079 0.000 0.768 467 E HN 0.603 nan 8.360 nan 0.000 0.453 468 A N 1.858 124.719 122.820 0.068 0.000 1.877 468 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 468 A C 2.208 179.833 177.584 0.068 0.000 1.186 468 A CA 1.596 53.668 52.037 0.059 0.000 0.620 468 A CB -0.605 18.422 19.000 0.044 0.000 0.822 468 A HN 0.198 nan 8.150 nan 0.000 0.443 469 R N -0.750 119.795 120.500 0.076 0.000 2.083 469 R HA -0.169 4.170 4.340 -0.000 0.000 0.237 469 R C 2.063 178.429 176.300 0.109 0.000 1.137 469 R CA 1.935 58.089 56.100 0.090 0.000 0.951 469 R CB -0.500 29.857 30.300 0.095 0.000 0.851 469 R HN 0.435 nan 8.270 nan 0.000 0.434 470 L N 1.724 123.018 121.223 0.118 0.000 2.131 470 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 470 L C 1.616 178.549 176.870 0.106 0.000 1.092 470 L CA 1.679 56.609 54.840 0.149 0.000 0.759 470 L CB -0.575 41.571 42.059 0.146 0.000 0.903 470 L HN 0.208 nan 8.230 nan 0.000 0.435 471 N N -0.326 118.420 118.700 0.077 0.000 2.058 471 N HA -0.251 4.489 4.740 -0.000 0.000 0.191 471 N C 1.888 177.431 175.510 0.055 0.000 1.037 471 N CA 2.002 55.086 53.050 0.056 0.000 0.848 471 N CB -0.474 38.044 38.487 0.052 0.000 1.021 471 N HN 0.502 nan 8.380 nan 0.000 0.422 472 M N 0.922 120.559 119.600 0.061 0.000 2.149 472 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 472 M C 1.630 177.952 176.300 0.035 0.000 1.064 472 M CA 1.559 56.887 55.300 0.047 0.000 1.102 472 M CB -0.035 32.599 32.600 0.057 0.000 1.369 472 M HN 0.132 nan 8.290 nan 0.000 0.408 473 Q N 0.175 120.027 119.800 0.087 0.000 2.083 473 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 473 Q C 1.946 178.019 176.000 0.122 0.000 0.969 473 Q CA 1.476 57.356 55.803 0.129 0.000 0.838 473 Q CB -0.078 28.831 28.738 0.285 0.000 0.900 473 Q HN 0.580 nan 8.270 nan 0.000 0.436 474 K N -0.090 120.354 120.400 0.074 0.000 2.217 474 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 474 K C 2.054 178.675 176.600 0.034 0.000 1.051 474 K CA 1.247 57.517 56.287 -0.028 0.000 0.952 474 K CB 0.060 32.476 32.500 -0.141 0.000 0.736 474 K HN 0.149 nan 8.250 nan 0.000 0.453 475 T N 1.462 116.051 114.554 0.059 0.000 2.737 475 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 475 T C 1.847 176.620 174.700 0.123 0.000 1.038 475 T CA 0.998 63.181 62.100 0.140 0.000 1.144 475 T CB 0.010 68.903 68.868 0.043 0.000 0.866 475 T HN 0.092 nan 8.240 nan 0.000 0.434 476 M N 0.977 120.538 119.600 -0.065 0.000 2.175 476 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 476 M C 2.414 178.634 176.300 -0.133 0.000 1.063 476 M CA 1.352 56.493 55.300 -0.264 0.000 1.119 476 M CB -1.122 31.009 32.600 -0.781 0.000 1.377 476 M HN 0.186 nan 8.290 nan 0.000 0.415 477 Q N 0.973 120.773 119.800 -0.000 0.000 2.135 477 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 477 Q C 1.887 177.992 176.000 0.176 0.000 0.981 477 Q CA 2.418 58.378 55.803 0.261 0.000 0.856 477 Q CB -0.055 28.850 28.738 0.277 0.000 0.902 477 Q HN 0.610 nan 8.270 nan 0.000 0.425 478 S N -2.017 113.713 115.700 0.050 0.000 2.511 478 S HA 0.097 4.567 4.470 -0.000 0.000 0.214 478 S C 1.119 175.586 174.600 -0.222 0.000 0.997 478 S CA -0.098 58.044 58.200 -0.096 0.000 0.908 478 S CB -0.029 63.053 63.200 -0.197 0.000 0.803 478 S HN 0.425 nan 8.310 nan 0.000 0.504 479 H N 0.957 120.050 119.070 0.039 0.000 2.705 479 H HA 0.534 5.090 4.556 -0.000 0.000 0.269 479 H C 0.541 175.902 175.328 0.056 0.000 0.998 479 H CA 0.619 56.683 56.048 0.026 0.000 1.193 479 H CB 0.761 30.518 29.762 -0.008 0.000 1.485 479 H HN 0.500 nan 8.280 nan 0.000 0.521 480 A N 0.909 123.857 122.820 0.213 0.000 3.234 480 A HA 0.619 4.939 4.320 -0.000 0.000 0.247 480 A C 0.441 178.278 177.584 0.422 0.000 0.938 480 A CA -0.033 52.164 52.037 0.267 0.000 1.039 480 A CB -0.222 18.929 19.000 0.251 0.000 1.197 480 A HN 0.247 nan 8.150 nan 0.000 0.498 481 A N -0.387 122.569 122.820 0.228 0.000 2.621 481 A HA 0.697 5.017 4.320 -0.000 0.000 0.267 481 A C 1.480 178.847 177.584 -0.362 0.000 1.506 481 A CA 0.376 52.424 52.037 0.019 0.000 0.873 481 A CB -0.399 18.582 19.000 -0.032 0.000 1.577 481 A HN 0.682 nan 8.150 nan 0.000 0.536 482 V N -1.106 118.306 119.914 -0.836 0.000 2.231 482 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 482 V C 0.671 176.398 176.094 -0.612 0.000 1.054 482 V CA 1.591 63.366 62.300 -0.874 0.000 1.015 482 V CB -0.950 30.382 31.823 -0.818 0.000 0.638 482 V HN 0.507 nan 8.190 nan 0.000 0.444 483 F N -0.144 119.681 119.950 -0.208 0.000 2.420 483 F HA 0.647 5.173 4.527 -0.000 0.000 0.342 483 F C 0.535 176.269 175.800 -0.111 0.000 1.113 483 F CA -0.524 57.393 58.000 -0.138 0.000 1.059 483 F CB 0.984 39.916 39.000 -0.114 0.000 1.128 483 F HN -0.050 nan 8.300 nan 0.000 0.475 484 R N 0.727 121.268 120.500 0.068 0.000 2.867 484 R HA 0.856 5.196 4.340 -0.000 0.000 0.268 484 R C -1.157 175.156 176.300 0.022 0.000 1.014 484 R CA -1.060 55.054 56.100 0.024 0.000 0.946 484 R CB 2.467 32.752 30.300 -0.025 0.000 1.208 484 R HN 0.570 nan 8.270 nan 0.000 0.477 485 T N -1.011 113.560 114.554 0.028 0.000 2.853 485 T HA 0.237 4.587 4.350 -0.000 0.000 0.311 485 T C 0.878 175.605 174.700 0.045 0.000 1.307 485 T CA -0.341 61.778 62.100 0.032 0.000 1.019 485 T CB 1.820 70.696 68.868 0.014 0.000 1.264 485 T HN 0.747 nan 8.240 nan 0.000 0.497 486 G N 1.323 110.162 108.800 0.064 0.000 2.476 486 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 486 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 486 G C 1.857 176.778 174.900 0.035 0.000 1.164 486 G CA 1.659 46.795 45.100 0.061 0.000 0.768 486 G HN 0.825 nan 8.290 nan 0.000 0.560 487 S N 0.705 116.425 115.700 0.034 0.000 2.356 487 S HA -0.045 4.425 4.470 -0.000 0.000 0.223 487 S C 2.369 176.999 174.600 0.050 0.000 1.032 487 S CA 1.282 59.500 58.200 0.030 0.000 1.005 487 S CB -0.429 62.786 63.200 0.024 0.000 0.867 487 S HN 0.360 nan 8.310 nan 0.000 0.449 488 I N 1.405 122.016 120.570 0.067 0.000 2.252 488 I HA -0.105 4.064 4.170 -0.000 0.000 0.245 488 I C 2.524 178.750 176.117 0.180 0.000 1.102 488 I CA 1.081 62.467 61.300 0.142 0.000 1.385 488 I CB -0.519 37.527 38.000 0.077 0.000 1.064 488 I HN 0.287 nan 8.210 nan 0.000 0.414 489 L N 0.168 121.436 121.223 0.076 0.000 2.046 489 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 489 L C 2.665 179.479 176.870 -0.095 0.000 1.077 489 L CA 1.509 56.357 54.840 0.014 0.000 0.747 489 L CB -0.502 41.559 42.059 0.004 0.000 0.896 489 L HN 0.303 nan 8.230 nan 0.000 0.432 490 Q N -0.370 119.382 119.800 -0.079 0.000 2.084 490 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 490 Q C 2.117 178.036 176.000 -0.134 0.000 0.978 490 Q CA 1.868 57.598 55.803 -0.122 0.000 0.844 490 Q CB -0.022 28.685 28.738 -0.052 0.000 0.898 490 Q HN 0.432 nan 8.270 nan 0.000 0.426 491 E N -0.375 119.774 120.200 -0.084 0.000 2.051 491 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 491 E C 1.947 178.321 176.600 -0.375 0.000 0.991 491 E CA 1.298 57.618 56.400 -0.134 0.000 0.799 491 E CB -0.297 29.410 29.700 0.011 0.000 0.748 491 E HN 0.405 nan 8.360 nan 0.000 0.449 492 G N 0.212 108.711 108.800 -0.502 0.000 2.422 492 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 492 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 492 G C 1.695 176.399 174.900 -0.327 0.000 1.146 492 G CA 0.924 45.644 45.100 -0.633 0.000 0.769 492 G HN 0.414 nan 8.290 nan 0.000 0.547 493 C N 0.080 119.189 119.300 -0.318 0.000 2.429 493 C HA 0.043 4.503 4.460 -0.000 0.000 0.277 493 C C 2.798 177.711 174.990 -0.128 0.000 1.262 493 C CA 0.839 59.620 59.018 -0.395 0.000 1.733 493 C CB -0.372 26.803 27.740 -0.942 0.000 2.010 493 C HN 0.394 nan 8.230 nan 0.000 0.483 494 E N 1.050 121.174 120.200 -0.127 0.000 2.107 494 E HA -0.085 4.264 4.350 -0.000 0.000 0.191 494 E C 2.125 178.711 176.600 -0.023 0.000 0.982 494 E CA 0.910 57.295 56.400 -0.024 0.000 0.809 494 E CB -0.303 29.382 29.700 -0.024 0.000 0.756 494 E HN 0.600 nan 8.360 nan 0.000 0.459 495 K N 0.384 120.726 120.400 -0.096 0.000 2.057 495 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 495 K C 2.280 178.872 176.600 -0.014 0.000 1.049 495 K CA 0.806 57.049 56.287 -0.072 0.000 0.931 495 K CB -0.129 32.281 32.500 -0.150 0.000 0.714 495 K HN 0.074 nan 8.250 nan 0.000 0.440 496 L N 0.641 121.857 121.223 -0.013 0.000 2.056 496 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 496 L C 2.247 179.187 176.870 0.117 0.000 1.078 496 L CA 1.157 56.032 54.840 0.057 0.000 0.749 496 L CB -0.306 41.796 42.059 0.072 0.000 0.901 496 L HN 0.167 nan 8.230 nan 0.000 0.433 497 S N -0.775 115.006 115.700 0.136 0.000 2.399 497 S HA -0.235 4.235 4.470 -0.000 0.000 0.231 497 S C 1.769 176.450 174.600 0.135 0.000 1.022 497 S CA 1.085 59.370 58.200 0.141 0.000 0.983 497 S CB -0.119 63.173 63.200 0.152 0.000 0.803 497 S HN 0.349 nan 8.310 nan 0.000 0.480 498 Q N 1.536 121.393 119.800 0.095 0.000 2.049 498 Q HA 0.090 4.430 4.340 -0.000 0.000 0.198 498 Q C 1.854 177.904 176.000 0.083 0.000 0.971 498 Q CA 1.423 57.272 55.803 0.078 0.000 0.833 498 Q CB -0.514 28.255 28.738 0.051 0.000 0.896 498 Q HN 0.567 nan 8.270 nan 0.000 0.434 499 I N -0.387 120.235 120.570 0.085 0.000 2.208 499 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 499 I C 1.945 178.113 176.117 0.086 0.000 1.097 499 I CA 1.337 62.684 61.300 0.077 0.000 1.363 499 I CB -0.393 37.651 38.000 0.074 0.000 1.051 499 I HN 0.254 nan 8.210 nan 0.000 0.413 500 Y N 1.773 122.076 120.300 0.006 0.000 2.181 500 Y HA -0.248 4.302 4.550 -0.000 0.000 0.288 500 Y C 2.744 178.630 175.900 -0.023 0.000 1.146 500 Y CA 1.624 59.719 58.100 -0.008 0.000 1.164 500 Y CB -0.181 38.271 38.460 -0.013 0.000 0.982 500 Y HN -0.035 nan 8.280 nan 0.000 0.515 501 R N -0.058 120.502 120.500 0.099 0.000 2.081 501 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 501 R C 1.681 177.916 176.300 -0.109 0.000 1.131 501 R CA 1.536 57.633 56.100 -0.004 0.000 0.960 501 R CB -0.388 29.933 30.300 0.035 0.000 0.856 501 R HN 0.336 nan 8.270 nan 0.000 0.436 502 D N 0.868 121.239 120.400 -0.048 0.000 2.315 502 D HA -0.149 4.491 4.640 -0.000 0.000 0.211 502 D C 1.683 177.916 176.300 -0.112 0.000 0.977 502 D CA 0.872 54.845 54.000 -0.046 0.000 0.894 502 D CB -0.104 40.729 40.800 0.056 0.000 0.910 502 D HN 0.251 nan 8.370 nan 0.000 0.490 503 L N 0.344 121.459 121.223 -0.180 0.000 2.261 503 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 503 L C 2.417 179.170 176.870 -0.196 0.000 1.114 503 L CA 0.734 55.459 54.840 -0.192 0.000 0.777 503 L CB -0.420 41.454 42.059 -0.310 0.000 0.910 503 L HN -0.012 nan 8.230 nan 0.000 0.440 504 A N -0.877 121.779 122.820 -0.275 0.000 2.019 504 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 504 A C 1.715 179.117 177.584 -0.303 0.000 1.164 504 A CA 1.293 53.146 52.037 -0.307 0.000 0.644 504 A CB -0.562 18.195 19.000 -0.405 0.000 0.805 504 A HN 0.441 nan 8.150 nan 0.000 0.449 505 H N -0.812 118.229 119.070 -0.048 0.000 2.519 505 H HA 0.313 4.869 4.556 -0.000 0.000 0.289 505 H C 0.018 175.322 175.328 -0.040 0.000 1.040 505 H CA -0.473 55.553 56.048 -0.037 0.000 1.165 505 H CB -0.485 29.262 29.762 -0.025 0.000 1.462 505 H HN 0.330 nan 8.280 nan 0.000 0.555 506 L N 2.402 123.642 121.223 0.028 0.000 2.540 506 L HA -0.058 4.282 4.340 -0.000 0.000 0.276 506 L C 0.612 177.470 176.870 -0.020 0.000 1.212 506 L CA 0.525 55.369 54.840 0.006 0.000 0.893 506 L CB 0.364 42.409 42.059 -0.023 0.000 1.138 506 L HN 0.223 nan 8.230 nan 0.000 0.491 507 K N 1.401 121.778 120.400 -0.040 0.000 2.323 507 K HA 0.569 4.889 4.320 -0.000 0.000 0.259 507 K C -0.569 175.938 176.600 -0.156 0.000 0.947 507 K CA -0.761 55.432 56.287 -0.157 0.000 0.819 507 K CB 1.616 33.950 32.500 -0.276 0.000 1.109 507 K HN 0.507 nan 8.250 nan 0.000 0.429 508 T N -0.624 113.824 114.554 -0.177 0.000 2.918 508 T HA 0.462 4.812 4.350 -0.000 0.000 0.286 508 T C 0.059 174.668 174.700 -0.152 0.000 1.026 508 T CA -0.752 61.325 62.100 -0.038 0.000 1.031 508 T CB 0.508 69.366 68.868 -0.017 0.000 1.046 508 T HN 0.489 nan 8.240 nan 0.000 0.479 509 F N -0.771 119.169 119.950 -0.016 0.000 2.637 509 F HA 0.333 4.860 4.527 -0.000 0.000 0.284 509 F C 1.173 176.959 175.800 -0.023 0.000 1.105 509 F CA -0.610 57.385 58.000 -0.008 0.000 1.356 509 F CB 0.059 39.059 39.000 0.001 0.000 1.096 509 F HN 0.500 nan 8.300 nan 0.000 0.616 510 D N 1.484 121.988 120.400 0.172 0.000 2.371 510 D HA 0.067 4.707 4.640 -0.000 0.000 0.256 510 D C 0.878 177.160 176.300 -0.030 0.000 1.193 510 D CA 0.233 54.271 54.000 0.064 0.000 0.881 510 D CB 0.796 41.621 40.800 0.041 0.000 1.143 510 D HN -0.018 nan 8.370 nan 0.000 0.473 511 R N 2.682 123.160 120.500 -0.036 0.000 2.393 511 R HA 0.232 4.572 4.340 -0.000 0.000 0.244 511 R C 0.985 177.199 176.300 -0.144 0.000 0.920 511 R CA -0.375 55.635 56.100 -0.150 0.000 1.076 511 R CB 0.322 30.601 30.300 -0.036 0.000 1.119 511 R HN 0.384 nan 8.270 nan 0.000 0.524 512 G N 0.656 109.416 108.800 -0.066 0.000 2.570 512 G HA2 0.210 4.169 3.960 -0.000 0.000 0.276 512 G HA3 0.210 4.169 3.960 -0.000 0.000 0.276 512 G C 0.459 175.321 174.900 -0.063 0.000 1.346 512 G CA -0.306 44.771 45.100 -0.039 0.000 1.034 512 G HN 0.131 nan 8.290 nan 0.000 0.512 513 I N -1.866 118.689 120.570 -0.026 0.000 4.607 513 I HA 0.246 4.416 4.170 -0.000 0.000 0.324 513 I C 0.702 176.816 176.117 -0.004 0.000 1.279 513 I CA -0.121 61.169 61.300 -0.017 0.000 1.286 513 I CB 0.702 38.699 38.000 -0.005 0.000 1.265 513 I HN 0.120 nan 8.210 nan 0.000 0.446 514 V N 2.602 122.535 119.914 0.033 0.000 2.439 514 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 514 V C -0.321 175.863 176.094 0.150 0.000 1.040 514 V CA -0.033 62.318 62.300 0.085 0.000 1.002 514 V CB -0.680 31.221 31.823 0.129 0.000 1.000 514 V HN 0.587 nan 8.190 nan 0.000 0.477 515 W N 4.033 125.331 121.300 -0.005 0.000 6.486 515 W HA -0.222 4.438 4.660 -0.000 0.000 0.411 515 W C 0.894 177.400 176.519 -0.022 0.000 1.595 515 W CA 0.527 57.867 57.345 -0.008 0.000 1.075 515 W CB -0.810 28.651 29.460 0.002 0.000 2.798 515 W HN 0.735 nan 8.180 nan 0.000 1.534 516 N N 0.863 119.550 118.700 -0.023 0.000 2.719 516 N HA 0.110 4.850 4.740 -0.000 0.000 0.243 516 N C 1.210 176.678 175.510 -0.070 0.000 1.104 516 N CA 0.872 53.910 53.050 -0.020 0.000 0.981 516 N CB 0.638 39.088 38.487 -0.062 0.000 1.290 516 N HN 0.209 nan 8.380 nan 0.000 0.513 517 T N -0.795 113.761 114.554 0.004 0.000 3.085 517 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 517 T C 1.264 175.941 174.700 -0.039 0.000 1.127 517 T CA 0.325 62.405 62.100 -0.033 0.000 1.103 517 T CB 0.182 69.091 68.868 0.068 0.000 0.921 517 T HN 0.229 nan 8.240 nan 0.000 0.510 518 D N 1.593 121.984 120.400 -0.015 0.000 2.084 518 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 518 D C 1.916 178.192 176.300 -0.039 0.000 0.990 518 D CA 1.027 55.029 54.000 0.002 0.000 0.826 518 D CB -0.404 40.418 40.800 0.038 0.000 0.971 518 D HN 0.396 nan 8.370 nan 0.000 0.453 519 L N 0.065 121.238 121.223 -0.083 0.000 2.027 519 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 519 L C 2.361 179.107 176.870 -0.207 0.000 1.074 519 L CA 1.304 56.067 54.840 -0.128 0.000 0.745 519 L CB -0.680 41.291 42.059 -0.146 0.000 0.898 519 L HN -0.065 nan 8.230 nan 0.000 0.433 520 V N 0.210 119.952 119.914 -0.286 0.000 2.332 520 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 520 V C 2.525 178.400 176.094 -0.365 0.000 1.055 520 V CA 2.219 64.209 62.300 -0.515 0.000 1.038 520 V CB -0.674 30.821 31.823 -0.547 0.000 0.651 520 V HN 0.542 nan 8.190 nan 0.000 0.450 521 E N -0.651 119.446 120.200 -0.172 0.000 2.409 521 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 521 E C 2.096 178.677 176.600 -0.031 0.000 1.024 521 E CA 1.297 57.662 56.400 -0.057 0.000 0.861 521 E CB -0.047 29.647 29.700 -0.010 0.000 0.788 521 E HN 0.627 nan 8.360 nan 0.000 0.521 522 T N 0.739 115.253 114.554 -0.067 0.000 2.937 522 T HA 0.016 4.366 4.350 -0.000 0.000 0.260 522 T C 1.903 176.582 174.700 -0.035 0.000 1.051 522 T CA 0.310 62.387 62.100 -0.037 0.000 1.141 522 T CB 0.035 68.879 68.868 -0.040 0.000 0.879 522 T HN 0.085 nan 8.240 nan 0.000 0.459 523 L N 0.928 122.100 121.223 -0.086 0.000 2.083 523 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 523 L C 2.650 179.588 176.870 0.113 0.000 1.083 523 L CA 1.406 56.239 54.840 -0.011 0.000 0.752 523 L CB -0.535 41.458 42.059 -0.110 0.000 0.899 523 L HN 0.303 nan 8.230 nan 0.000 0.433 524 E N -0.207 120.055 120.200 0.103 0.000 2.204 524 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 524 E C 2.068 178.737 176.600 0.115 0.000 0.989 524 E CA 0.803 57.312 56.400 0.182 0.000 0.824 524 E CB -0.057 29.748 29.700 0.176 0.000 0.756 524 E HN 0.268 nan 8.360 nan 0.000 0.477 525 L N 1.251 122.518 121.223 0.073 0.000 2.056 525 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 525 L C 2.092 179.000 176.870 0.064 0.000 1.078 525 L CA 1.722 56.600 54.840 0.064 0.000 0.749 525 L CB -0.259 41.824 42.059 0.041 0.000 0.901 525 L HN 0.046 nan 8.230 nan 0.000 0.433 526 Q N -0.496 119.335 119.800 0.052 0.000 2.002 526 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 526 Q C 2.003 178.055 176.000 0.088 0.000 0.988 526 Q CA 1.889 57.727 55.803 0.058 0.000 0.843 526 Q CB -0.351 28.412 28.738 0.042 0.000 0.908 526 Q HN 0.567 nan 8.270 nan 0.000 0.420 527 N N 0.787 119.539 118.700 0.085 0.000 2.036 527 N HA -0.180 4.560 4.740 -0.000 0.000 0.195 527 N C 1.874 177.400 175.510 0.026 0.000 1.037 527 N CA 1.227 54.311 53.050 0.058 0.000 0.855 527 N CB -0.474 38.062 38.487 0.082 0.000 1.033 527 N HN 0.195 nan 8.380 nan 0.000 0.423 528 L N 0.131 121.388 121.223 0.056 0.000 2.131 528 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 528 L C 2.338 179.223 176.870 0.024 0.000 1.092 528 L CA 0.735 55.604 54.840 0.047 0.000 0.759 528 L CB -0.245 41.868 42.059 0.091 0.000 0.903 528 L HN 0.145 nan 8.230 nan 0.000 0.435 529 M N -0.621 119.022 119.600 0.071 0.000 2.132 529 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 529 M C 2.381 178.709 176.300 0.046 0.000 1.065 529 M CA 1.746 57.117 55.300 0.119 0.000 1.122 529 M CB -0.871 31.886 32.600 0.261 0.000 1.365 529 M HN 0.236 nan 8.290 nan 0.000 0.411 530 L N -0.788 120.453 121.223 0.030 0.000 2.042 530 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 530 L C 2.606 179.373 176.870 -0.172 0.000 1.076 530 L CA 1.099 55.889 54.840 -0.084 0.000 0.749 530 L CB -0.795 41.230 42.059 -0.058 0.000 0.893 530 L HN 0.336 nan 8.230 nan 0.000 0.432 531 C N -0.564 118.594 119.300 -0.237 0.000 2.466 531 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 531 C C 3.134 177.931 174.990 -0.322 0.000 1.288 531 C CA 0.480 59.208 59.018 -0.485 0.000 1.722 531 C CB -1.025 26.095 27.740 -1.033 0.000 2.017 531 C HN 0.605 nan 8.230 nan 0.000 0.488 532 A N 0.518 123.252 122.820 -0.143 0.000 1.898 532 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 532 A C 2.130 179.715 177.584 0.002 0.000 1.181 532 A CA 1.341 53.367 52.037 -0.020 0.000 0.620 532 A CB -0.610 18.395 19.000 0.007 0.000 0.819 532 A HN 0.593 nan 8.150 nan 0.000 0.442 533 L N -0.792 120.415 121.223 -0.027 0.000 2.012 533 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 533 L C 2.925 179.831 176.870 0.060 0.000 1.073 533 L CA 1.837 56.687 54.840 0.018 0.000 0.748 533 L CB -0.603 41.350 42.059 -0.177 0.000 0.891 533 L HN 0.483 nan 8.230 nan 0.000 0.431 534 Q N -1.012 118.754 119.800 -0.057 0.000 2.181 534 Q HA -0.183 4.157 4.340 -0.000 0.000 0.205 534 Q C 2.098 178.110 176.000 0.020 0.000 0.980 534 Q CA 1.963 57.740 55.803 -0.044 0.000 0.862 534 Q CB -0.208 28.459 28.738 -0.117 0.000 0.905 534 Q HN 0.527 nan 8.270 nan 0.000 0.429 535 T N 0.962 115.535 114.554 0.032 0.000 2.732 535 T HA -0.083 4.267 4.350 -0.000 0.000 0.261 535 T C 1.795 176.532 174.700 0.060 0.000 1.040 535 T CA 0.833 62.978 62.100 0.076 0.000 1.145 535 T CB -0.143 68.834 68.868 0.182 0.000 0.866 535 T HN 0.239 nan 8.240 nan 0.000 0.427 536 I N -0.374 120.241 120.570 0.074 0.000 2.439 536 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 536 I C 1.831 177.925 176.117 -0.039 0.000 1.139 536 I CA 1.160 62.472 61.300 0.020 0.000 1.438 536 I CB 0.022 38.014 38.000 -0.013 0.000 1.085 536 I HN 0.227 nan 8.210 nan 0.000 0.427 537 Y N 0.499 120.778 120.300 -0.034 0.000 2.263 537 Y HA -0.034 4.516 4.550 -0.000 0.000 0.292 537 Y C 2.505 178.386 175.900 -0.032 0.000 1.130 537 Y CA 1.435 59.517 58.100 -0.030 0.000 1.179 537 Y CB -0.852 37.586 38.460 -0.037 0.000 0.998 537 Y HN 0.168 nan 8.280 nan 0.000 0.532 538 G N -0.570 108.285 108.800 0.091 0.000 2.422 538 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 538 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 538 G C 1.879 176.700 174.900 -0.131 0.000 1.146 538 G CA 0.925 46.027 45.100 0.004 0.000 0.769 538 G HN 0.452 nan 8.290 nan 0.000 0.547 539 A N 0.484 123.208 122.820 -0.159 0.000 1.873 539 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 539 A C 2.192 179.747 177.584 -0.049 0.000 1.186 539 A CA 1.929 53.855 52.037 -0.185 0.000 0.616 539 A CB -0.438 18.567 19.000 0.007 0.000 0.823 539 A HN 0.307 nan 8.150 nan 0.000 0.442 540 E N 0.537 120.704 120.200 -0.055 0.000 2.058 540 E HA -0.194 4.155 4.350 -0.000 0.000 0.194 540 E C 2.165 178.726 176.600 -0.066 0.000 0.997 540 E CA 1.502 57.866 56.400 -0.060 0.000 0.801 540 E CB -0.370 29.252 29.700 -0.130 0.000 0.746 540 E HN 0.454 nan 8.360 nan 0.000 0.450 541 A N 1.160 123.954 122.820 -0.043 0.000 2.015 541 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 541 A C 1.870 179.265 177.584 -0.315 0.000 1.163 541 A CA 0.685 52.714 52.037 -0.013 0.000 0.646 541 A CB -0.357 18.757 19.000 0.189 0.000 0.806 541 A HN 0.112 nan 8.150 nan 0.000 0.448 542 R N 0.923 121.119 120.500 -0.508 0.000 2.419 542 R HA 0.196 4.536 4.340 -0.000 0.000 0.305 542 R C -0.920 174.836 176.300 -0.907 0.000 1.242 542 R CA -0.105 55.341 56.100 -1.090 0.000 1.105 542 R CB -0.165 29.679 30.300 -0.759 0.000 1.116 542 R HN 0.179 nan 8.270 nan 0.000 0.523 543 K N 4.511 124.118 120.400 -1.323 0.000 2.333 543 K HA 0.051 4.370 4.320 -0.000 0.000 0.241 543 K C -0.768 175.313 176.600 -0.865 0.000 1.193 543 K CA -0.099 55.455 56.287 -1.223 0.000 1.142 543 K CB 0.284 31.747 32.500 -1.729 0.000 1.731 543 K HN 0.679 nan 8.250 nan 0.000 0.344 544 E N -1.606 118.351 120.200 -0.404 0.000 2.429 544 E HA 0.331 4.681 4.350 -0.000 0.000 0.277 544 E C -1.326 175.296 176.600 0.036 0.000 1.130 544 E CA -1.089 55.279 56.400 -0.054 0.000 0.875 544 E CB 0.960 30.640 29.700 -0.034 0.000 1.443 544 E HN -0.052 nan 8.360 nan 0.000 0.444 545 S N -0.180 115.594 115.700 0.123 0.000 2.605 545 S HA 0.645 5.115 4.470 -0.000 0.000 0.308 545 S C -1.251 173.474 174.600 0.209 0.000 1.113 545 S CA -0.676 57.599 58.200 0.125 0.000 1.049 545 S CB 1.049 64.313 63.200 0.107 0.000 1.001 545 S HN 0.459 nan 8.310 nan 0.000 0.480 546 R N 2.019 122.695 120.500 0.292 0.000 2.548 546 R HA 0.554 4.894 4.340 -0.000 0.000 0.280 546 R C 0.698 177.212 176.300 0.358 0.000 1.061 546 R CA 0.310 56.603 56.100 0.322 0.000 0.915 546 R CB 1.140 31.667 30.300 0.379 0.000 1.210 546 R HN 0.889 nan 8.270 nan 0.000 0.442 547 G N 2.212 111.158 108.800 0.243 0.000 2.652 547 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.318 547 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.318 547 G C 0.758 175.801 174.900 0.237 0.000 1.295 547 G CA 0.692 45.921 45.100 0.215 0.000 0.999 547 G HN 0.865 nan 8.290 nan 0.000 0.548 548 A N -0.694 122.307 122.820 0.302 0.000 2.209 548 A HA 0.267 4.587 4.320 -0.000 0.000 0.212 548 A C 1.213 178.949 177.584 0.254 0.000 1.158 548 A CA 1.911 54.102 52.037 0.256 0.000 0.742 548 A CB -0.296 18.884 19.000 0.299 0.000 0.790 548 A HN 1.256 nan 8.150 nan 0.000 0.472 549 H N 0.309 119.505 119.070 0.209 0.000 2.787 549 H HA 0.600 5.156 4.556 -0.000 0.000 0.275 549 H C -0.251 175.101 175.328 0.040 0.000 1.183 549 H CA -0.269 55.801 56.048 0.035 0.000 1.290 549 H CB 0.154 29.818 29.762 -0.163 0.000 1.438 549 H HN 0.194 nan 8.280 nan 0.000 0.487 550 A N 6.255 128.920 122.820 -0.258 0.000 2.258 550 A HA 0.526 4.846 4.320 -0.000 0.000 0.316 550 A C -0.287 177.161 177.584 -0.228 0.000 1.279 550 A CA -0.937 50.989 52.037 -0.184 0.000 0.876 550 A CB 0.422 19.303 19.000 -0.197 0.000 1.170 550 A HN 0.645 nan 8.150 nan 0.000 0.520 551 R N 2.361 122.762 120.500 -0.165 0.000 2.265 551 R HA 0.230 4.570 4.340 -0.000 0.000 0.328 551 R C 0.054 176.378 176.300 0.040 0.000 0.969 551 R CA -0.322 55.734 56.100 -0.074 0.000 0.832 551 R CB 1.324 31.619 30.300 -0.008 0.000 1.139 551 R HN 0.859 nan 8.270 nan 0.000 0.457 552 E N 1.024 121.252 120.200 0.047 0.000 2.418 552 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 552 E C 0.260 176.826 176.600 -0.058 0.000 1.026 552 E CA 0.868 57.273 56.400 0.009 0.000 0.862 552 E CB 0.388 30.067 29.700 -0.034 0.000 0.799 552 E HN 0.527 nan 8.360 nan 0.000 0.518 553 D N -1.123 119.226 120.400 -0.084 0.000 2.363 553 D HA -0.080 4.560 4.640 -0.000 0.000 0.214 553 D C -0.242 175.699 176.300 -0.598 0.000 1.093 553 D CA -0.098 53.746 54.000 -0.259 0.000 0.837 553 D CB -0.163 40.505 40.800 -0.221 0.000 0.948 553 D HN 0.145 nan 8.370 nan 0.000 0.507 554 Y N 0.309 120.601 120.300 -0.013 0.000 2.583 554 Y HA 0.248 4.798 4.550 -0.000 0.000 0.303 554 Y C 0.743 176.647 175.900 0.008 0.000 1.108 554 Y CA -0.687 57.413 58.100 -0.001 0.000 1.252 554 Y CB 0.935 39.377 38.460 -0.030 0.000 1.114 554 Y HN -0.274 nan 8.280 nan 0.000 0.594 555 K N 0.764 121.211 120.400 0.079 0.000 2.504 555 K HA 0.122 4.442 4.320 -0.000 0.000 0.195 555 K C 0.146 176.815 176.600 0.115 0.000 1.036 555 K CA 0.651 56.991 56.287 0.088 0.000 0.984 555 K CB 0.450 32.983 32.500 0.055 0.000 0.788 555 K HN 0.405 nan 8.250 nan 0.000 0.488 556 L N 0.469 121.774 121.223 0.136 0.000 2.352 556 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 556 L C 0.253 177.225 176.870 0.171 0.000 1.034 556 L CA -1.121 53.804 54.840 0.142 0.000 0.806 556 L CB 1.159 43.298 42.059 0.133 0.000 1.244 556 L HN -0.067 nan 8.230 nan 0.000 0.447 557 R N 1.508 122.110 120.500 0.170 0.000 2.265 557 R HA 0.515 4.855 4.340 -0.000 0.000 0.314 557 R C -1.092 175.332 176.300 0.206 0.000 1.053 557 R CA -0.359 55.860 56.100 0.198 0.000 0.931 557 R CB 0.547 30.963 30.300 0.193 0.000 1.024 557 R HN 0.520 nan 8.270 nan 0.000 0.457 558 I N 5.158 125.883 120.570 0.259 0.000 2.359 558 I HA 0.219 4.389 4.170 -0.000 0.000 0.284 558 I C -0.421 175.845 176.117 0.249 0.000 1.018 558 I CA -0.623 60.830 61.300 0.254 0.000 1.173 558 I CB 1.378 39.571 38.000 0.320 0.000 1.326 558 I HN 0.503 nan 8.210 nan 0.000 0.462 559 D N 5.376 125.871 120.400 0.158 0.000 2.440 559 D HA 0.091 4.731 4.640 -0.000 0.000 0.258 559 D C 1.127 177.277 176.300 -0.251 0.000 1.092 559 D CA -0.425 53.612 54.000 0.062 0.000 1.016 559 D CB 1.077 42.000 40.800 0.205 0.000 1.141 559 D HN 0.533 nan 8.370 nan 0.000 0.552 560 E N 0.186 119.955 120.200 -0.718 0.000 2.331 560 E HA -0.150 4.199 4.350 -0.000 0.000 0.199 560 E C -0.137 176.029 176.600 -0.723 0.000 1.008 560 E CA 1.015 56.831 56.400 -0.973 0.000 0.843 560 E CB -0.023 29.135 29.700 -0.903 0.000 0.761 560 E HN 0.371 nan 8.360 nan 0.000 0.507 561 F N -0.023 119.747 119.950 -0.300 0.000 2.650 561 F HA 0.238 4.765 4.527 -0.000 0.000 0.320 561 F C -0.231 175.347 175.800 -0.370 0.000 1.091 561 F CA -1.328 56.411 58.000 -0.435 0.000 0.962 561 F CB 1.580 40.043 39.000 -0.895 0.000 1.363 561 F HN -0.274 nan 8.300 nan 0.000 0.482 562 D N 0.929 121.294 120.400 -0.057 0.000 2.441 562 D HA 0.090 4.729 4.640 -0.000 0.000 0.221 562 D C -0.014 176.220 176.300 -0.109 0.000 1.156 562 D CA -0.008 53.969 54.000 -0.038 0.000 0.896 562 D CB 0.174 40.969 40.800 -0.009 0.000 1.028 562 D HN 0.415 nan 8.370 nan 0.000 0.509 563 Y N 1.406 121.703 120.300 -0.005 0.000 2.619 563 Y HA -0.089 4.461 4.550 -0.000 0.000 0.308 563 Y C 2.391 178.243 175.900 -0.079 0.000 1.192 563 Y CA 0.424 58.479 58.100 -0.076 0.000 1.319 563 Y CB 0.017 38.378 38.460 -0.165 0.000 1.030 563 Y HN 0.379 nan 8.280 nan 0.000 0.517 564 S N -1.247 114.482 115.700 0.048 0.000 2.593 564 S HA 0.168 4.638 4.470 -0.000 0.000 0.217 564 S C 0.323 174.921 174.600 -0.002 0.000 0.966 564 S CA -0.210 58.004 58.200 0.023 0.000 0.914 564 S CB -0.024 63.193 63.200 0.028 0.000 0.776 564 S HN 0.215 nan 8.310 nan 0.000 0.523 565 K N 0.943 121.327 120.400 -0.026 0.000 2.509 565 K HA 0.553 4.873 4.320 -0.000 0.000 0.266 565 K C -3.259 173.296 176.600 -0.073 0.000 0.987 565 K CA -2.517 53.747 56.287 -0.039 0.000 0.868 565 K CB 1.199 33.679 32.500 -0.033 0.000 1.421 565 K HN -0.092 nan 8.250 nan 0.000 0.444 566 P HA 0.006 nan 4.420 nan 0.000 0.265 566 P C 0.163 177.370 177.300 -0.156 0.000 1.187 566 P CA 0.081 63.121 63.100 -0.100 0.000 0.766 566 P CB 0.427 32.083 31.700 -0.074 0.000 0.820 567 L N -0.156 120.921 121.223 -0.243 0.000 2.478 567 L HA -0.040 4.300 4.340 -0.000 0.000 0.223 567 L C 1.239 177.948 176.870 -0.269 0.000 1.140 567 L CA 0.468 55.063 54.840 -0.408 0.000 0.842 567 L CB -0.534 41.120 42.059 -0.675 0.000 0.953 567 L HN 0.421 nan 8.230 nan 0.000 0.452 568 Q N 1.876 121.577 119.800 -0.166 0.000 2.242 568 Q HA 0.149 4.489 4.340 -0.000 0.000 0.284 568 Q C 0.740 176.701 176.000 -0.064 0.000 1.130 568 Q CA 0.725 56.467 55.803 -0.101 0.000 0.940 568 Q CB -0.110 28.584 28.738 -0.074 0.000 1.146 568 Q HN 0.356 nan 8.270 nan 0.000 0.388 569 G N 4.090 112.867 108.800 -0.039 0.000 2.353 569 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.294 569 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.294 569 G C -0.504 174.404 174.900 0.013 0.000 1.077 569 G CA 0.295 45.391 45.100 -0.007 0.000 1.098 569 G HN 0.606 nan 8.290 nan 0.000 0.511 570 Q N -1.041 118.792 119.800 0.055 0.000 2.356 570 Q HA 0.493 4.833 4.340 -0.000 0.000 0.270 570 Q C -0.301 175.818 176.000 0.199 0.000 1.058 570 Q CA -1.053 54.824 55.803 0.124 0.000 0.802 570 Q CB 1.849 30.698 28.738 0.185 0.000 1.303 570 Q HN 0.314 nan 8.270 nan 0.000 0.444 571 Q N 2.993 122.851 119.800 0.096 0.000 2.314 571 Q HA 0.126 4.465 4.340 -0.000 0.000 0.257 571 Q C -0.933 175.005 176.000 -0.104 0.000 0.975 571 Q CA 0.107 55.926 55.803 0.027 0.000 0.933 571 Q CB 0.739 29.472 28.738 -0.008 0.000 1.195 571 Q HN 0.335 nan 8.270 nan 0.000 0.426 572 K N 4.116 124.371 120.400 -0.242 0.000 2.382 572 K HA 0.114 4.434 4.320 -0.000 0.000 0.275 572 K C -0.563 175.777 176.600 -0.434 0.000 1.009 572 K CA -0.114 55.680 56.287 -0.821 0.000 0.970 572 K CB 0.504 32.570 32.500 -0.723 0.000 0.934 572 K HN 0.696 nan 8.250 nan 0.000 0.479 573 R N 3.811 124.046 120.500 -0.442 0.000 2.531 573 R HA 0.221 4.561 4.340 -0.000 0.000 0.273 573 R C -2.218 174.051 176.300 -0.052 0.000 1.070 573 R CA -1.756 54.235 56.100 -0.182 0.000 1.112 573 R CB 0.256 30.485 30.300 -0.118 0.000 1.049 573 R HN 0.493 nan 8.270 nan 0.000 0.508 574 P HA -0.073 nan 4.420 nan 0.000 0.269 574 P C 0.012 177.371 177.300 0.098 0.000 1.209 574 P CA -0.015 63.112 63.100 0.046 0.000 0.776 574 P CB 0.351 32.047 31.700 -0.005 0.000 0.876 575 F N 3.102 123.015 119.950 -0.062 0.000 2.063 575 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 575 F C 1.618 177.143 175.800 -0.457 0.000 1.109 575 F CA 1.989 59.849 58.000 -0.234 0.000 1.212 575 F CB -0.517 38.410 39.000 -0.121 0.000 0.973 575 F HN 0.346 nan 8.300 nan 0.000 0.480 576 E N -0.020 120.060 120.200 -0.200 0.000 2.401 576 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 576 E C 1.247 177.563 176.600 -0.473 0.000 1.023 576 E CA 1.225 57.407 56.400 -0.365 0.000 0.859 576 E CB -0.373 29.242 29.700 -0.141 0.000 0.780 576 E HN 0.583 nan 8.360 nan 0.000 0.523 577 E N -0.562 119.406 120.200 -0.387 0.000 2.558 577 E HA 0.113 4.463 4.350 -0.000 0.000 0.205 577 E C -0.411 175.995 176.600 -0.322 0.000 1.006 577 E CA -0.138 56.073 56.400 -0.315 0.000 0.961 577 E CB 0.202 29.821 29.700 -0.135 0.000 1.044 577 E HN 0.463 nan 8.360 nan 0.000 0.465 578 H N -4.696 114.015 119.070 -0.598 0.000 2.943 578 H HA 0.361 4.917 4.556 -0.000 0.000 0.323 578 H C -0.716 174.110 175.328 -0.837 0.000 1.296 578 H CA -1.151 54.592 56.048 -0.508 0.000 1.155 578 H CB 0.253 29.864 29.762 -0.251 0.000 1.882 578 H HN -0.036 nan 8.280 nan 0.000 0.553 579 W N -0.559 120.708 121.300 -0.054 0.000 3.008 579 W HA 0.367 5.027 4.660 -0.000 0.000 0.355 579 W C 0.562 177.070 176.519 -0.019 0.000 1.095 579 W CA -0.518 56.734 57.345 -0.155 0.000 1.738 579 W CB 0.902 30.326 29.460 -0.060 0.000 1.091 579 W HN 0.350 nan 8.180 nan 0.000 0.574 580 R N 3.395 124.100 120.500 0.341 0.000 3.268 580 R HA 0.105 4.445 4.340 -0.000 0.000 0.217 580 R C -0.349 176.036 176.300 0.143 0.000 1.568 580 R CA 0.434 56.691 56.100 0.262 0.000 1.322 580 R CB -0.840 29.621 30.300 0.269 0.000 1.280 580 R HN 0.010 nan 8.270 nan 0.000 0.667 581 K N 0.779 121.198 120.400 0.030 0.000 2.578 581 K HA 0.234 4.554 4.320 -0.000 0.000 0.269 581 K C -1.278 175.403 176.600 0.135 0.000 0.941 581 K CA -1.052 55.247 56.287 0.021 0.000 0.847 581 K CB 1.012 33.382 32.500 -0.217 0.000 1.397 581 K HN 0.150 nan 8.250 nan 0.000 0.422 582 H N 1.120 120.346 119.070 0.260 0.000 2.652 582 H HA 0.152 4.708 4.556 -0.000 0.000 0.349 582 H C -0.182 175.353 175.328 0.346 0.000 1.099 582 H CA 0.084 56.278 56.048 0.244 0.000 1.417 582 H CB 1.305 31.140 29.762 0.122 0.000 1.457 582 H HN 0.507 nan 8.280 nan 0.000 0.568 583 T N 4.142 118.979 114.554 0.471 0.000 2.856 583 T HA 0.340 4.690 4.350 -0.000 0.000 0.292 583 T C 0.673 175.400 174.700 0.046 0.000 0.980 583 T CA -0.521 61.743 62.100 0.274 0.000 1.091 583 T CB 0.359 69.391 68.868 0.272 0.000 0.936 583 T HN 0.246 nan 8.240 nan 0.000 0.503 584 L N 3.522 124.663 121.223 -0.137 0.000 2.342 584 L HA 0.433 4.773 4.340 -0.000 0.000 0.276 584 L C 0.277 177.049 176.870 -0.164 0.000 0.997 584 L CA -0.750 53.999 54.840 -0.153 0.000 0.838 584 L CB 1.569 43.583 42.059 -0.076 0.000 1.224 584 L HN 0.692 nan 8.230 nan 0.000 0.416 585 S N 1.912 117.481 115.700 -0.218 0.000 2.489 585 S HA 0.749 5.219 4.470 -0.000 0.000 0.291 585 S C -1.006 173.425 174.600 -0.282 0.000 1.151 585 S CA -0.585 57.529 58.200 -0.143 0.000 1.082 585 S CB 1.239 64.372 63.200 -0.113 0.000 1.019 585 S HN 0.330 nan 8.310 nan 0.000 0.492 586 Y N 0.567 120.799 120.300 -0.113 0.000 2.512 586 Y HA 0.674 5.224 4.550 -0.000 0.000 0.348 586 Y C -0.375 175.442 175.900 -0.139 0.000 0.990 586 Y CA -1.135 56.900 58.100 -0.108 0.000 1.033 586 Y CB 2.120 40.526 38.460 -0.089 0.000 1.259 586 Y HN 0.591 nan 8.280 nan 0.000 0.461 587 V N 1.573 121.492 119.914 0.008 0.000 2.656 587 V HA 0.259 4.379 4.120 -0.000 0.000 0.307 587 V C -1.100 174.955 176.094 -0.066 0.000 1.051 587 V CA -1.031 61.212 62.300 -0.095 0.000 0.893 587 V CB 2.092 33.809 31.823 -0.176 0.000 0.999 587 V HN 0.787 nan 8.190 nan 0.000 0.426 588 D N 3.088 123.432 120.400 -0.093 0.000 2.347 588 D HA 0.303 4.943 4.640 -0.000 0.000 0.235 588 D C 0.779 177.053 176.300 -0.043 0.000 1.149 588 D CA -0.261 53.707 54.000 -0.053 0.000 0.850 588 D CB 1.760 42.526 40.800 -0.056 0.000 1.061 588 D HN 0.187 nan 8.370 nan 0.000 0.487 589 V N 4.118 124.034 119.914 0.003 0.000 2.490 589 V HA -0.199 3.920 4.120 -0.000 0.000 0.250 589 V C 2.254 178.444 176.094 0.160 0.000 1.061 589 V CA 1.470 63.816 62.300 0.075 0.000 1.064 589 V CB -0.526 31.339 31.823 0.069 0.000 0.670 589 V HN 0.564 nan 8.190 nan 0.000 0.461 590 K N 1.000 121.451 120.400 0.086 0.000 2.009 590 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 590 K C 2.445 179.121 176.600 0.126 0.000 1.049 590 K CA 1.976 58.311 56.287 0.080 0.000 0.929 590 K CB -0.389 32.130 32.500 0.032 0.000 0.714 590 K HN 0.639 nan 8.250 nan 0.000 0.440 591 S N -1.649 114.103 115.700 0.087 0.000 2.439 591 S HA 0.115 4.585 4.470 -0.000 0.000 0.224 591 S C 1.496 176.144 174.600 0.080 0.000 1.029 591 S CA 0.502 58.746 58.200 0.074 0.000 0.946 591 S CB 0.391 63.591 63.200 0.000 0.000 0.797 591 S HN 0.428 nan 8.310 nan 0.000 0.504 592 G N 1.472 110.232 108.800 -0.067 0.000 2.137 592 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.237 592 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.237 592 G C -0.137 174.494 174.900 -0.447 0.000 1.002 592 G CA 0.279 45.042 45.100 -0.561 0.000 0.702 592 G HN 0.749 nan 8.290 nan 0.000 0.515 593 K N 0.590 120.822 120.400 -0.279 0.000 2.276 593 K HA 0.539 4.859 4.320 -0.000 0.000 0.283 593 K C 0.199 176.606 176.600 -0.322 0.000 1.044 593 K CA -0.519 55.591 56.287 -0.295 0.000 0.944 593 K CB 0.954 33.353 32.500 -0.168 0.000 1.012 593 K HN 0.029 nan 8.250 nan 0.000 0.472 594 V N 3.649 123.287 119.914 -0.461 0.000 2.439 594 V HA 0.225 4.345 4.120 -0.000 0.000 0.282 594 V C -0.024 175.964 176.094 -0.177 0.000 1.039 594 V CA -0.584 61.507 62.300 -0.349 0.000 0.913 594 V CB 1.563 33.078 31.823 -0.514 0.000 0.983 594 V HN 0.830 nan 8.190 nan 0.000 0.460 595 T N 6.499 121.013 114.554 -0.066 0.000 2.855 595 T HA 0.733 5.083 4.350 -0.000 0.000 0.281 595 T C -0.484 174.256 174.700 0.067 0.000 1.007 595 T CA -0.338 61.755 62.100 -0.012 0.000 1.009 595 T CB 1.066 69.900 68.868 -0.056 0.000 0.983 595 T HN 0.380 nan 8.240 nan 0.000 0.455 596 L N 2.536 123.776 121.223 0.028 0.000 2.370 596 L HA 0.719 5.059 4.340 -0.000 0.000 0.266 596 L C -0.078 176.713 176.870 -0.131 0.000 1.002 596 L CA -1.052 53.756 54.840 -0.054 0.000 0.818 596 L CB 2.063 44.083 42.059 -0.066 0.000 1.325 596 L HN 0.420 nan 8.230 nan 0.000 0.418 597 K N 0.953 121.166 120.400 -0.311 0.000 2.499 597 K HA 0.659 4.979 4.320 -0.000 0.000 0.277 597 K C -1.923 174.265 176.600 -0.686 0.000 1.025 597 K CA -0.969 55.173 56.287 -0.241 0.000 0.900 597 K CB 2.763 35.317 32.500 0.090 0.000 1.494 597 K HN 0.296 nan 8.250 nan 0.000 0.442 598 Y N 0.050 120.479 120.300 0.215 0.000 2.562 598 Y HA 0.443 4.993 4.550 -0.000 0.000 0.345 598 Y C -0.540 175.509 175.900 0.249 0.000 1.045 598 Y CA -1.103 57.122 58.100 0.208 0.000 1.028 598 Y CB 2.280 40.788 38.460 0.080 0.000 1.297 598 Y HN 0.507 nan 8.280 nan 0.000 0.463 599 R N 0.518 121.224 120.500 0.344 0.000 2.771 599 R HA 0.705 5.045 4.340 -0.000 0.000 0.274 599 R C -3.502 173.008 176.300 0.349 0.000 0.987 599 R CA -2.315 53.806 56.100 0.035 0.000 0.908 599 R CB 2.159 32.112 30.300 -0.578 0.000 1.213 599 R HN 0.182 nan 8.270 nan 0.000 0.468 600 P HA 0.036 nan 4.420 nan 0.000 0.271 600 P C -0.283 177.132 177.300 0.191 0.000 1.218 600 P CA -0.494 62.783 63.100 0.295 0.000 0.780 600 P CB 0.657 32.444 31.700 0.145 0.000 0.901 601 V N 3.743 123.700 119.914 0.071 0.000 2.775 601 V HA 0.118 4.238 4.120 -0.000 0.000 0.299 601 V C 0.840 177.018 176.094 0.140 0.000 1.062 601 V CA -0.171 62.118 62.300 -0.019 0.000 1.063 601 V CB 0.314 32.086 31.823 -0.084 0.000 0.994 601 V HN 0.365 nan 8.190 nan 0.000 0.483 602 I N 3.740 124.419 120.570 0.182 0.000 2.301 602 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 602 I C 0.455 176.669 176.117 0.162 0.000 1.046 602 I CA -0.159 61.239 61.300 0.163 0.000 1.282 602 I CB 1.037 39.134 38.000 0.161 0.000 1.409 602 I HN 0.658 nan 8.210 nan 0.000 0.484 603 D N 4.902 125.398 120.400 0.162 0.000 2.327 603 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 603 D C 1.046 177.461 176.300 0.192 0.000 0.989 603 D CA 0.234 54.345 54.000 0.185 0.000 0.873 603 D CB 0.249 41.158 40.800 0.181 0.000 0.955 603 D HN 0.515 nan 8.370 nan 0.000 0.515 604 R N 1.872 122.465 120.500 0.155 0.000 2.590 604 R HA 0.149 4.489 4.340 -0.000 0.000 0.274 604 R C 0.477 176.871 176.300 0.157 0.000 1.061 604 R CA 0.168 56.351 56.100 0.138 0.000 1.081 604 R CB 0.409 30.768 30.300 0.098 0.000 0.984 604 R HN -0.071 nan 8.270 nan 0.000 0.448 605 T N 0.128 114.780 114.554 0.163 0.000 2.867 605 T HA 0.213 4.563 4.350 -0.000 0.000 0.286 605 T C 1.385 176.131 174.700 0.077 0.000 1.022 605 T CA -0.898 61.325 62.100 0.204 0.000 0.933 605 T CB 0.530 69.530 68.868 0.220 0.000 1.280 605 T HN 0.609 nan 8.240 nan 0.000 0.566 606 L N 0.404 121.618 121.223 -0.014 0.000 2.554 606 L HA 0.317 4.657 4.340 -0.000 0.000 0.226 606 L C 0.767 177.598 176.870 -0.066 0.000 1.137 606 L CA 0.338 55.009 54.840 -0.282 0.000 0.863 606 L CB -0.352 41.259 42.059 -0.746 0.000 0.985 606 L HN 0.679 nan 8.230 nan 0.000 0.451 607 N N -0.413 118.364 118.700 0.128 0.000 3.466 607 N HA -0.043 4.697 4.740 -0.000 0.000 0.217 607 N C 0.196 175.776 175.510 0.117 0.000 1.265 607 N CA -0.059 53.066 53.050 0.123 0.000 0.887 607 N CB 0.887 39.468 38.487 0.157 0.000 1.626 607 N HN -0.096 nan 8.380 nan 0.000 0.700 608 E N 1.964 122.205 120.200 0.068 0.000 2.153 608 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 608 E C 0.660 177.270 176.600 0.017 0.000 0.988 608 E CA 1.736 58.160 56.400 0.040 0.000 0.811 608 E CB 0.388 30.112 29.700 0.040 0.000 0.746 608 E HN 0.579 nan 8.360 nan 0.000 0.466 609 E N 0.100 120.317 120.200 0.028 0.000 2.152 609 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 609 E C 1.398 178.005 176.600 0.011 0.000 0.983 609 E CA 1.313 57.723 56.400 0.016 0.000 0.818 609 E CB -0.187 29.528 29.700 0.025 0.000 0.758 609 E HN 0.293 nan 8.360 nan 0.000 0.467 610 D N -1.455 118.968 120.400 0.037 0.000 2.240 610 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 610 D C -0.477 175.781 176.300 -0.070 0.000 0.963 610 D CA 0.387 54.413 54.000 0.044 0.000 0.863 610 D CB 0.408 41.309 40.800 0.169 0.000 0.973 610 D HN 0.115 nan 8.370 nan 0.000 0.501 611 C N 0.905 120.130 119.300 -0.125 0.000 2.679 611 C HA 0.509 4.969 4.460 -0.000 0.000 0.354 611 C C -0.520 174.328 174.990 -0.236 0.000 1.067 611 C CA -0.677 58.133 59.018 -0.346 0.000 1.317 611 C CB -0.197 27.110 27.740 -0.721 0.000 1.843 611 C HN 0.095 nan 8.230 nan 0.000 0.459 612 S N 2.890 118.500 115.700 -0.151 0.000 2.562 612 S HA 0.244 4.714 4.470 -0.000 0.000 0.281 612 S C 0.343 174.990 174.600 0.078 0.000 1.333 612 S CA 0.186 58.362 58.200 -0.041 0.000 1.052 612 S CB 1.099 64.265 63.200 -0.056 0.000 0.884 612 S HN 0.952 nan 8.310 nan 0.000 0.506 613 S N 1.829 117.611 115.700 0.137 0.000 2.564 613 S HA 0.294 4.764 4.470 -0.000 0.000 0.278 613 S C -0.428 174.340 174.600 0.280 0.000 1.333 613 S CA -0.685 57.675 58.200 0.266 0.000 1.048 613 S CB 0.219 63.536 63.200 0.194 0.000 0.900 613 S HN 0.442 nan 8.310 nan 0.000 0.505 614 V N 7.824 127.967 119.914 0.382 0.000 2.347 614 V HA 0.438 4.558 4.120 -0.000 0.000 0.280 614 V C -1.899 174.420 176.094 0.374 0.000 1.021 614 V CA -1.739 60.788 62.300 0.378 0.000 0.847 614 V CB 1.283 33.380 31.823 0.456 0.000 0.990 614 V HN 0.806 nan 8.190 nan 0.000 0.444 615 P HA 0.315 nan 4.420 nan 0.000 0.274 615 P C -2.776 174.059 177.300 -0.775 0.000 1.231 615 P CA -1.851 61.126 63.100 -0.205 0.000 0.790 615 P CB 0.315 31.910 31.700 -0.175 0.000 0.951 616 P HA 0.220 nan 4.420 nan 0.000 0.269 616 P C -0.573 175.770 177.300 -1.596 0.000 1.217 616 P CA 0.490 62.141 63.100 -2.416 0.000 0.783 616 P CB 0.221 30.948 31.700 -1.622 0.000 0.898 617 A N 1.835 123.773 122.820 -1.469 0.000 2.581 617 A HA 0.556 4.876 4.320 -0.000 0.000 0.290 617 A C -0.956 176.397 177.584 -0.386 0.000 1.119 617 A CA -0.625 51.047 52.037 -0.608 0.000 0.670 617 A CB 0.739 19.542 19.000 -0.328 0.000 1.280 617 A HN 0.353 nan 8.150 nan 0.000 0.425 618 I N 0.959 121.455 120.570 -0.123 0.000 2.692 618 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 618 I C 0.776 176.915 176.117 0.037 0.000 1.159 618 I CA 0.503 61.794 61.300 -0.015 0.000 1.423 618 I CB 0.718 38.723 38.000 0.008 0.000 1.380 618 I HN 0.708 nan 8.210 nan 0.000 0.580 619 R N 4.938 125.494 120.500 0.093 0.000 2.337 619 R HA 0.447 4.787 4.340 -0.000 0.000 0.319 619 R C -0.908 175.396 176.300 0.007 0.000 0.954 619 R CA -0.227 55.931 56.100 0.097 0.000 0.840 619 R CB 0.989 31.437 30.300 0.247 0.000 1.164 619 R HN 0.832 nan 8.270 nan 0.000 0.472 620 S N 2.961 118.566 115.700 -0.158 0.000 2.556 620 S HA 0.531 5.001 4.470 -0.000 0.000 0.271 620 S C -1.396 173.012 174.600 -0.321 0.000 1.135 620 S CA -0.714 57.421 58.200 -0.109 0.000 0.858 620 S CB 1.295 64.498 63.200 0.005 0.000 1.114 620 S HN 0.451 nan 8.310 nan 0.000 0.468 621 Y N 0.000 120.344 120.300 0.073 0.000 2.660 621 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 621 Y CA 0.000 58.134 58.100 0.057 0.000 1.940 621 Y CB 0.000 38.485 38.460 0.041 0.000 1.050 621 Y HN 0.000 nan 8.280 nan 0.000 0.758