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 2vob_1_B DATA FIRST_RESID 5 DATA SEQUENCE QRASVSFNKP GHIPFGAVQG YAPGGVPAYS NKHDHYFSGE RNIEDNIFFG DATA SEQUENCE FKYQCVEFAR RWLLVRKGLL LPDVNWACHI FQLKEVRDAA TTESFAVLQV DATA SEQUENCE RNGTTTKPEA DALLVYPSTD ANPVGHVGTI TEVGDDYVCV ADQNYRFHKW DATA SEQUENCE ESSCAYKLKL DHRDGIWTII DDIDADEIEI PLGWLTFPGR ANRPEGAPPV DATA SEQUENCE ALHPSLHFKE PPKPYLLRRN FLPXXXXXXW LDMNNPAERL FVEEFGXXXX DATA SEQUENCE XXXXXXXXVS YYESNHEFHL RCVAYGTQLH AIFMEATAQV IESDEKLRLF DATA SEQUENCE AIPEEFWPRI RHSWKYQQTY ISGRFDFAFN NETGEVKCFE YNADSASTLL DATA SEQUENCE ECGLIQQKWA ESVGLDXXDT RGSGFAVERN LKMAWANSGA TGRVHFCVDE DATA SEQUENCE EREEQYTALY CMQAAEAVGL EGKLCILFDE FRFDDNGHVV DSDGVRVRNV DATA SEQUENCE WKTWMWESAI TDYYAAREER GENWKPSPKD KVRLCDLLLG DDWEILYFEP DATA SEQUENCE MWKVIPSNKA ILPMIYHNHP EHPAILKAEY ELTDELRKHG YAKKPIVXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXRNMIYQQ LFELKKQDDY YAIIGGWMIG DATA SEQUENCE DAFSGTGIRE DKSXXXXXXX PFAAVRIKXX XXPHPVTLKD IDKMAEDE 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.042 176.000 0.070 0.000 1.003 5 Q CA 0.000 55.829 55.803 0.043 0.000 1.022 5 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 6 R N 1.291 121.850 120.500 0.099 0.000 2.316 6 R HA 0.546 4.888 4.340 0.003 0.000 0.314 6 R C -0.286 176.149 176.300 0.226 0.000 1.069 6 R CA 0.050 56.243 56.100 0.155 0.000 0.959 6 R CB 0.713 31.131 30.300 0.196 0.000 0.987 6 R HN 0.371 nan 8.270 nan 0.000 0.446 7 A N 2.648 125.559 122.820 0.152 0.000 2.407 7 A HA 0.161 4.483 4.320 0.003 0.000 0.248 7 A C 0.514 178.157 177.584 0.099 0.000 1.082 7 A CA -0.437 51.672 52.037 0.122 0.000 0.785 7 A CB 0.514 19.543 19.000 0.048 0.000 1.020 7 A HN 0.808 nan 8.150 nan 0.000 0.489 8 S N 0.910 116.658 115.700 0.080 0.000 2.568 8 S HA 0.384 4.856 4.470 0.003 0.000 0.282 8 S C 0.154 174.629 174.600 -0.208 0.000 1.338 8 S CA 0.107 58.245 58.200 -0.103 0.000 1.045 8 S CB 0.186 63.386 63.200 0.001 0.000 0.873 8 S HN 1.969 nan 8.310 nan 0.000 0.516 9 V N -0.161 119.542 119.914 -0.351 0.000 2.864 9 V HA 0.975 5.097 4.120 0.003 0.000 0.314 9 V C -0.166 175.757 176.094 -0.286 0.000 1.073 9 V CA -0.501 61.632 62.300 -0.278 0.000 0.956 9 V CB 1.476 33.137 31.823 -0.270 0.000 1.023 9 V HN 1.097 nan 8.190 nan 0.000 0.435 10 S N 1.060 116.602 115.700 -0.263 0.000 2.547 10 S HA 0.657 5.129 4.470 0.003 0.000 0.270 10 S C -0.396 174.064 174.600 -0.233 0.000 1.150 10 S CA -0.416 57.630 58.200 -0.256 0.000 0.850 10 S CB 1.563 64.666 63.200 -0.161 0.000 1.118 10 S HN 0.625 nan 8.310 nan 0.000 0.461 11 F N 1.775 121.667 119.950 -0.097 0.000 2.558 11 F HA 0.299 4.828 4.527 0.003 0.000 0.298 11 F C 1.084 176.815 175.800 -0.114 0.000 1.119 11 F CA 0.025 57.946 58.000 -0.133 0.000 1.451 11 F CB -0.279 38.639 39.000 -0.137 0.000 1.091 11 F HN 0.400 nan 8.300 nan 0.000 0.563 12 N N 2.144 120.888 118.700 0.074 0.000 2.399 12 N HA 0.015 4.757 4.740 0.003 0.000 0.259 12 N C -0.037 175.423 175.510 -0.085 0.000 1.160 12 N CA 0.126 53.183 53.050 0.011 0.000 0.946 12 N CB 0.323 38.818 38.487 0.014 0.000 1.156 12 N HN -0.090 nan 8.380 nan 0.000 0.489 13 K N 2.419 122.689 120.400 -0.217 0.000 2.237 13 K HA 0.294 4.616 4.320 0.003 0.000 0.270 13 K C -2.201 174.245 176.600 -0.256 0.000 1.015 13 K CA -1.728 54.329 56.287 -0.382 0.000 0.949 13 K CB 0.106 32.058 32.500 -0.914 0.000 0.976 13 K HN 0.261 nan 8.250 nan 0.000 0.472 14 P HA -0.065 nan 4.420 nan 0.000 0.260 14 P C 0.782 178.122 177.300 0.066 0.000 1.172 14 P CA 1.067 64.149 63.100 -0.030 0.000 0.760 14 P CB 0.219 31.905 31.700 -0.023 0.000 0.773 15 G N 1.985 110.857 108.800 0.119 0.000 2.234 15 G HA2 -0.260 3.702 3.960 0.003 0.000 0.260 15 G HA3 -0.260 3.702 3.960 0.003 0.000 0.260 15 G C 0.171 175.265 174.900 0.324 0.000 0.987 15 G CA -0.194 45.027 45.100 0.202 0.000 0.625 15 G HN 0.702 nan 8.290 nan 0.000 0.532 16 H N 0.970 120.116 119.070 0.126 0.000 2.722 16 H HA 0.463 5.021 4.556 0.003 0.000 0.328 16 H C 1.202 176.601 175.328 0.117 0.000 1.067 16 H CA 0.072 56.216 56.048 0.160 0.000 1.447 16 H CB 0.866 30.701 29.762 0.122 0.000 1.469 16 H HN 0.605 nan 8.280 nan 0.000 0.544 17 I N 1.436 122.132 120.570 0.210 0.000 2.677 17 I HA 0.449 4.621 4.170 0.003 0.000 0.305 17 I C -2.598 173.592 176.117 0.121 0.000 0.988 17 I CA -2.752 58.621 61.300 0.121 0.000 1.260 17 I CB 1.134 39.161 38.000 0.045 0.000 1.410 17 I HN 0.263 nan 8.210 nan 0.000 0.523 18 P HA 0.055 nan 4.420 nan 0.000 0.269 18 P C -0.672 176.706 177.300 0.131 0.000 1.215 18 P CA -0.061 63.111 63.100 0.120 0.000 0.780 18 P CB 0.214 31.977 31.700 0.105 0.000 0.898 19 F N 1.960 121.928 119.950 0.030 0.000 2.604 19 F HA 0.210 4.739 4.527 0.003 0.000 0.393 19 F C 1.568 177.425 175.800 0.095 0.000 1.043 19 F CA 2.110 60.151 58.000 0.068 0.000 1.227 19 F CB -0.480 38.539 39.000 0.031 0.000 1.016 19 F HN 0.672 nan 8.300 nan 0.000 0.556 20 G N 3.384 111.856 108.800 -0.547 0.000 2.241 20 G HA2 -0.185 3.777 3.960 0.003 0.000 0.244 20 G HA3 -0.185 3.777 3.960 0.003 0.000 0.244 20 G C 0.309 175.099 174.900 -0.184 0.000 0.998 20 G CA -0.027 44.797 45.100 -0.461 0.000 0.621 20 G HN 1.399 nan 8.290 nan 0.000 0.519 21 A N 0.292 123.035 122.820 -0.128 0.000 2.462 21 A HA 0.606 4.928 4.320 0.003 0.000 0.243 21 A C 0.744 178.176 177.584 -0.253 0.000 1.076 21 A CA 0.483 52.447 52.037 -0.122 0.000 0.773 21 A CB 0.742 19.698 19.000 -0.074 0.000 1.010 21 A HN 1.186 nan 8.150 nan 0.000 0.493 22 V N 3.745 123.459 119.914 -0.332 0.000 2.470 22 V HA 0.018 4.140 4.120 0.003 0.000 0.276 22 V C 1.166 176.929 176.094 -0.552 0.000 1.040 22 V CA 0.265 62.209 62.300 -0.593 0.000 1.008 22 V CB 0.586 32.029 31.823 -0.633 0.000 0.990 22 V HN 1.101 nan 8.190 nan 0.000 0.477 23 Q N 3.244 122.588 119.800 -0.761 0.000 2.137 23 Q HA 0.274 4.616 4.340 0.003 0.000 0.198 23 Q C 1.003 176.341 176.000 -1.104 0.000 0.960 23 Q CA 0.963 56.238 55.803 -0.879 0.000 0.847 23 Q CB 0.451 28.524 28.738 -1.108 0.000 0.915 23 Q HN 0.989 nan 8.270 nan 0.000 0.448 24 G N -1.279 106.702 108.800 -1.365 0.000 2.321 24 G HA2 0.303 4.265 3.960 0.003 0.000 0.296 24 G HA3 0.303 4.265 3.960 0.003 0.000 0.296 24 G C -2.151 172.209 174.900 -0.899 0.000 1.287 24 G CA -0.907 43.659 45.100 -0.890 0.000 0.846 24 G HN 0.046 nan 8.290 nan 0.000 0.508 25 Y N 0.606 120.798 120.300 -0.180 0.000 2.350 25 Y HA 0.652 5.203 4.550 0.003 0.000 0.338 25 Y C 0.834 176.903 175.900 0.282 0.000 0.961 25 Y CA 0.017 58.115 58.100 -0.003 0.000 1.100 25 Y CB 2.158 40.609 38.460 -0.014 0.000 1.179 25 Y HN 0.840 nan 8.280 nan 0.000 0.454 26 A N 5.305 128.418 122.820 0.488 0.000 2.386 26 A HA 0.467 4.790 4.320 0.003 0.000 0.248 26 A C -2.525 175.272 177.584 0.355 0.000 1.082 26 A CA -1.497 50.827 52.037 0.478 0.000 0.789 26 A CB -0.273 19.089 19.000 0.603 0.000 1.025 26 A HN 0.481 nan 8.150 nan 0.000 0.490 27 P HA 0.215 nan 4.420 nan 0.000 0.265 27 P C 0.932 178.346 177.300 0.189 0.000 1.187 27 P CA 1.947 65.164 63.100 0.195 0.000 0.766 27 P CB 0.446 32.242 31.700 0.161 0.000 0.820 28 G N 2.024 110.885 108.800 0.103 0.000 2.157 28 G HA2 -0.059 3.903 3.960 0.003 0.000 0.248 28 G HA3 -0.059 3.903 3.960 0.003 0.000 0.248 28 G C 0.705 175.633 174.900 0.047 0.000 0.979 28 G CA 0.285 45.410 45.100 0.042 0.000 0.650 28 G HN 1.062 nan 8.290 nan 0.000 0.529 29 G N -1.907 106.956 108.800 0.106 0.000 2.225 29 G HA2 0.070 4.032 3.960 0.003 0.000 0.264 29 G HA3 0.070 4.032 3.960 0.003 0.000 0.264 29 G C 0.161 175.231 174.900 0.283 0.000 1.060 29 G CA 0.490 45.669 45.100 0.132 0.000 0.833 29 G HN 1.687 nan 8.290 nan 0.000 0.498 30 V N 1.803 121.901 119.914 0.305 0.000 2.333 30 V HA 0.445 4.567 4.120 0.003 0.000 0.274 30 V C -1.395 174.741 176.094 0.071 0.000 1.028 30 V CA -1.773 60.634 62.300 0.179 0.000 0.851 30 V CB 1.547 33.455 31.823 0.143 0.000 1.000 30 V HN 0.281 nan 8.190 nan 0.000 0.456 31 P HA 0.299 nan 4.420 nan 0.000 0.276 31 P C -0.555 176.452 177.300 -0.488 0.000 1.235 31 P CA 0.002 62.564 63.100 -0.898 0.000 0.772 31 P CB 1.277 32.327 31.700 -1.083 0.000 0.871 32 A N 4.399 126.802 122.820 -0.695 0.000 2.274 32 A HA 0.554 4.876 4.320 0.003 0.000 0.309 32 A C -0.883 176.225 177.584 -0.794 0.000 1.226 32 A CA -0.512 51.165 52.037 -0.599 0.000 0.853 32 A CB 0.078 18.555 19.000 -0.873 0.000 1.146 32 A HN 0.463 nan 8.150 nan 0.000 0.518 33 Y N 1.205 121.196 120.300 -0.514 0.000 2.387 33 Y HA 0.450 5.003 4.550 0.004 0.000 0.330 33 Y C 1.165 176.765 175.900 -0.500 0.000 1.133 33 Y CA -0.297 57.386 58.100 -0.694 0.000 1.152 33 Y CB 1.734 39.390 38.460 -1.340 0.000 1.215 33 Y HN 0.632 nan 8.280 nan 0.000 0.466 34 S N 1.551 117.093 115.700 -0.264 0.000 2.515 34 S HA -0.062 4.410 4.470 0.003 0.000 0.285 34 S C 0.650 175.279 174.600 0.048 0.000 1.265 34 S CA -0.384 57.784 58.200 -0.053 0.000 1.079 34 S CB -0.185 63.016 63.200 0.000 0.000 0.877 34 S HN 0.739 nan 8.310 nan 0.000 0.493 35 N N 3.987 122.907 118.700 0.367 0.000 2.322 35 N HA 0.112 4.854 4.740 0.003 0.000 0.216 35 N C 0.977 176.796 175.510 0.514 0.000 1.144 35 N CA 0.292 53.697 53.050 0.592 0.000 0.830 35 N CB -0.339 38.532 38.487 0.640 0.000 1.034 35 N HN 0.876 nan 8.380 nan 0.000 0.484 36 K N -1.731 118.864 120.400 0.326 0.000 9.671 36 K HA -0.356 3.966 4.320 0.003 0.000 0.509 36 K C -0.788 175.561 176.600 -0.418 0.000 0.371 36 K CA 2.169 58.434 56.287 -0.036 0.000 1.956 36 K CB -1.142 31.119 32.500 -0.399 0.000 0.711 36 K HN 0.656 nan 8.250 nan 0.000 1.081 37 H N -0.616 118.089 119.070 -0.608 0.000 2.948 37 H HA 0.482 5.040 4.556 0.003 0.000 0.315 37 H C -1.326 173.628 175.328 -0.622 0.000 1.360 37 H CA -0.496 54.889 56.048 -1.104 0.000 1.125 37 H CB 0.311 29.824 29.762 -0.414 0.000 1.844 37 H HN 0.065 nan 8.280 nan 0.000 0.529 38 D N 0.729 121.019 120.400 -0.184 0.000 2.583 38 D HA 0.008 4.650 4.640 0.003 0.000 0.232 38 D C 0.094 176.453 176.300 0.099 0.000 1.128 38 D CA 1.766 55.745 54.000 -0.036 0.000 0.859 38 D CB -0.267 40.368 40.800 -0.276 0.000 1.169 38 D HN 0.888 nan 8.370 nan 0.000 0.481 39 H N -1.201 118.046 119.070 0.295 0.000 3.047 39 H HA -0.286 4.272 4.556 0.004 0.000 0.263 39 H C -0.174 175.303 175.328 0.248 0.000 1.168 39 H CA 0.442 56.629 56.048 0.232 0.000 1.152 39 H CB -2.046 27.811 29.762 0.158 0.000 1.278 39 H HN 0.434 nan 8.280 nan 0.000 0.339 40 Y N 0.798 121.183 120.300 0.142 0.000 2.377 40 Y HA 0.335 4.887 4.550 0.004 0.000 0.330 40 Y C -0.408 175.628 175.900 0.227 0.000 1.108 40 Y CA -1.016 57.092 58.100 0.013 0.000 1.308 40 Y CB 0.360 38.594 38.460 -0.375 0.000 1.216 40 Y HN 0.163 nan 8.280 nan 0.000 0.518 41 F N 5.808 125.339 119.950 -0.698 0.000 2.445 41 F HA 0.286 4.815 4.527 0.004 0.000 0.348 41 F C 0.794 176.159 175.800 -0.725 0.000 1.125 41 F CA -0.748 56.963 58.000 -0.482 0.000 0.983 41 F CB 1.324 40.188 39.000 -0.226 0.000 1.198 41 F HN 0.554 nan 8.300 nan 0.000 0.436 42 S N 3.046 118.191 115.700 -0.926 0.000 2.470 42 S HA 0.180 4.652 4.470 0.003 0.000 0.225 42 S C 1.690 175.848 174.600 -0.738 0.000 1.006 42 S CA 0.573 58.350 58.200 -0.705 0.000 0.934 42 S CB -0.454 62.576 63.200 -0.284 0.000 0.778 42 S HN 1.778 nan 8.310 nan 0.000 0.517 43 G N 0.789 108.796 108.800 -1.322 0.000 2.155 43 G HA2 -0.254 3.708 3.960 0.003 0.000 0.257 43 G HA3 -0.254 3.708 3.960 0.003 0.000 0.257 43 G C -0.275 174.480 174.900 -0.242 0.000 0.983 43 G CA 0.442 45.015 45.100 -0.878 0.000 0.676 43 G HN 0.640 nan 8.290 nan 0.000 0.528 44 E N 0.025 120.174 120.200 -0.086 0.000 2.171 44 E HA 0.507 4.859 4.350 0.003 0.000 0.271 44 E C 0.348 177.022 176.600 0.124 0.000 0.916 44 E CA -0.861 55.558 56.400 0.032 0.000 0.774 44 E CB 1.296 30.985 29.700 -0.017 0.000 1.128 44 E HN 0.286 nan 8.360 nan 0.000 0.403 45 R N 1.958 122.440 120.500 -0.029 0.000 2.410 45 R HA 0.240 4.582 4.340 0.003 0.000 0.288 45 R C -0.289 175.941 176.300 -0.116 0.000 1.051 45 R CA -0.671 55.312 56.100 -0.195 0.000 1.021 45 R CB 0.610 30.624 30.300 -0.477 0.000 1.032 45 R HN 0.315 nan 8.270 nan 0.000 0.481 46 N N 3.211 121.887 118.700 -0.040 0.000 2.439 46 N HA 0.287 5.029 4.740 0.003 0.000 0.249 46 N C -1.265 174.319 175.510 0.123 0.000 1.003 46 N CA -0.210 52.852 53.050 0.019 0.000 0.942 46 N CB 0.545 39.044 38.487 0.021 0.000 1.115 46 N HN 0.455 nan 8.380 nan 0.000 0.505 47 I N 1.818 122.417 120.570 0.047 0.000 2.512 47 I HA 0.329 4.501 4.170 0.003 0.000 0.287 47 I C -0.545 175.599 176.117 0.046 0.000 1.069 47 I CA -0.657 60.625 61.300 -0.031 0.000 1.056 47 I CB 2.050 39.945 38.000 -0.175 0.000 1.229 47 I HN 0.435 nan 8.210 nan 0.000 0.429 48 E N 6.016 126.261 120.200 0.074 0.000 2.290 48 E HA 0.249 4.601 4.350 0.003 0.000 0.274 48 E C -1.145 175.466 176.600 0.019 0.000 0.889 48 E CA -0.444 56.023 56.400 0.112 0.000 0.760 48 E CB 1.338 31.193 29.700 0.259 0.000 1.206 48 E HN 0.587 nan 8.360 nan 0.000 0.419 49 D N 3.592 123.983 120.400 -0.015 0.000 2.723 49 D HA -0.224 4.418 4.640 0.003 0.000 0.236 49 D C -0.448 175.740 176.300 -0.186 0.000 1.138 49 D CA 1.578 55.536 54.000 -0.071 0.000 0.676 49 D CB -1.440 39.349 40.800 -0.018 0.000 1.069 49 D HN 0.882 nan 8.370 nan 0.000 0.430 50 N N -1.955 116.631 118.700 -0.190 0.000 2.878 50 N HA -0.242 4.500 4.740 0.003 0.000 0.247 50 N C -0.294 175.127 175.510 -0.149 0.000 1.021 50 N CA 1.094 54.006 53.050 -0.230 0.000 0.873 50 N CB -0.898 37.158 38.487 -0.719 0.000 1.128 50 N HN 0.489 nan 8.380 nan 0.000 0.571 51 I N 0.890 121.309 120.570 -0.252 0.000 2.330 51 I HA 0.258 4.430 4.170 0.003 0.000 0.289 51 I C -0.172 175.598 176.117 -0.579 0.000 1.001 51 I CA -0.795 60.239 61.300 -0.442 0.000 1.193 51 I CB 0.600 38.139 38.000 -0.767 0.000 1.345 51 I HN -0.039 nan 8.210 nan 0.000 0.461 52 F N 7.501 127.100 119.950 -0.585 0.000 2.405 52 F HA 0.327 4.856 4.527 0.003 0.000 0.358 52 F C 0.204 175.711 175.800 -0.488 0.000 1.151 52 F CA -0.907 56.692 58.000 -0.669 0.000 1.161 52 F CB 0.139 38.594 39.000 -0.909 0.000 1.245 52 F HN 0.354 nan 8.300 nan 0.000 0.545 53 F N 3.448 123.255 119.950 -0.239 0.000 2.293 53 F HA 0.315 4.845 4.527 0.004 0.000 0.297 53 F C 1.664 177.202 175.800 -0.438 0.000 1.089 53 F CA 0.916 58.757 58.000 -0.265 0.000 1.377 53 F CB -0.645 38.291 39.000 -0.106 0.000 1.051 53 F HN 0.621 nan 8.300 nan 0.000 0.511 54 G N -1.369 107.116 108.800 -0.525 0.000 2.369 54 G HA2 0.147 4.110 3.960 0.003 0.000 0.293 54 G HA3 0.147 4.110 3.960 0.003 0.000 0.293 54 G C -1.493 173.290 174.900 -0.195 0.000 1.301 54 G CA -1.445 43.393 45.100 -0.437 0.000 0.913 54 G HN -0.155 nan 8.290 nan 0.000 0.540 55 F N 1.723 121.761 119.950 0.147 0.000 2.412 55 F HA 0.443 4.972 4.527 0.003 0.000 0.348 55 F C 1.471 177.253 175.800 -0.029 0.000 1.102 55 F CA -0.128 57.951 58.000 0.132 0.000 1.196 55 F CB 1.125 40.270 39.000 0.243 0.000 1.144 55 F HN 0.207 nan 8.300 nan 0.000 0.541 56 K N 2.864 123.209 120.400 -0.092 0.000 2.489 56 K HA -0.016 4.307 4.320 0.003 0.000 0.278 56 K C -1.152 175.412 176.600 -0.061 0.000 1.000 56 K CA 0.228 56.087 56.287 -0.713 0.000 1.012 56 K CB 0.214 32.176 32.500 -0.896 0.000 0.903 56 K HN 0.502 nan 8.250 nan 0.000 0.485 57 Y N 2.649 123.100 120.300 0.251 0.000 2.632 57 Y HA 0.057 4.610 4.550 0.004 0.000 0.336 57 Y C 0.801 176.858 175.900 0.260 0.000 1.237 57 Y CA -0.277 57.919 58.100 0.161 0.000 1.595 57 Y CB -0.149 38.301 38.460 -0.016 0.000 1.508 57 Y HN 0.395 nan 8.280 nan 0.000 0.480 58 Q N 0.358 120.378 119.800 0.367 0.000 2.396 58 Q HA 0.075 4.417 4.340 0.003 0.000 0.221 58 Q C 1.402 177.592 176.000 0.316 0.000 1.025 58 Q CA -0.137 55.883 55.803 0.361 0.000 0.946 58 Q CB 0.994 29.961 28.738 0.382 0.000 1.224 58 Q HN 0.895 nan 8.270 nan 0.000 0.539 59 C N -1.586 117.878 119.300 0.274 0.000 2.440 59 C HA -0.038 4.424 4.460 0.003 0.000 0.278 59 C C 2.135 177.238 174.990 0.188 0.000 1.295 59 C CA 0.146 59.282 59.018 0.197 0.000 1.738 59 C CB -0.976 26.817 27.740 0.088 0.000 1.987 59 C HN 0.641 nan 8.230 nan 0.000 0.492 60 V N 1.435 121.460 119.914 0.185 0.000 2.548 60 V HA -0.140 3.982 4.120 0.003 0.000 0.249 60 V C 3.051 179.246 176.094 0.169 0.000 1.055 60 V CA 2.110 64.509 62.300 0.166 0.000 1.065 60 V CB -0.905 31.015 31.823 0.163 0.000 0.681 60 V HN 0.578 nan 8.190 nan 0.000 0.462 61 E N 0.357 120.674 120.200 0.195 0.000 2.070 61 E HA -0.283 4.069 4.350 0.003 0.000 0.197 61 E C 2.114 178.835 176.600 0.202 0.000 1.004 61 E CA 1.917 58.425 56.400 0.180 0.000 0.805 61 E CB -0.273 29.546 29.700 0.199 0.000 0.744 61 E HN 0.561 nan 8.360 nan 0.000 0.451 62 F N 1.044 121.074 119.950 0.134 0.000 2.113 62 F HA -0.124 4.405 4.527 0.004 0.000 0.297 62 F C 2.308 178.199 175.800 0.152 0.000 1.103 62 F CA 1.753 59.827 58.000 0.124 0.000 1.248 62 F CB -0.657 38.407 39.000 0.107 0.000 0.999 62 F HN 0.079 nan 8.300 nan 0.000 0.475 63 A N 0.669 123.604 122.820 0.192 0.000 1.884 63 A HA -0.316 4.006 4.320 0.003 0.000 0.219 63 A C 2.405 180.078 177.584 0.148 0.000 1.197 63 A CA 2.316 54.445 52.037 0.154 0.000 0.637 63 A CB -1.037 18.062 19.000 0.165 0.000 0.827 63 A HN 0.501 nan 8.150 nan 0.000 0.450 64 R N -1.015 119.558 120.500 0.121 0.000 2.090 64 R HA -0.066 4.276 4.340 0.003 0.000 0.228 64 R C 2.474 178.853 176.300 0.131 0.000 1.110 64 R CA 1.406 57.581 56.100 0.125 0.000 0.973 64 R CB -0.228 30.144 30.300 0.120 0.000 0.869 64 R HN 0.554 nan 8.270 nan 0.000 0.440 65 R N -0.544 119.978 120.500 0.037 0.000 2.066 65 R HA -0.183 4.159 4.340 0.003 0.000 0.232 65 R C 1.964 178.112 176.300 -0.253 0.000 1.131 65 R CA 1.889 57.849 56.100 -0.233 0.000 0.955 65 R CB -0.534 29.379 30.300 -0.645 0.000 0.851 65 R HN 0.371 nan 8.270 nan 0.000 0.432 66 W N 0.973 121.956 121.300 -0.527 0.000 2.317 66 W HA -0.287 4.375 4.660 0.003 0.000 0.318 66 W C 1.742 178.088 176.519 -0.289 0.000 1.227 66 W CA 1.738 58.782 57.345 -0.502 0.000 1.269 66 W CB -0.564 28.477 29.460 -0.698 0.000 1.155 66 W HN 0.208 nan 8.180 nan 0.000 0.484 67 L N 0.516 121.612 121.223 -0.212 0.000 2.056 67 L HA -0.163 4.179 4.340 0.003 0.000 0.207 67 L C 2.396 178.965 176.870 -0.501 0.000 1.078 67 L CA 1.796 56.328 54.840 -0.513 0.000 0.749 67 L CB -1.324 40.634 42.059 -0.167 0.000 0.901 67 L HN 0.209 nan 8.230 nan 0.000 0.433 68 L N -1.080 119.986 121.223 -0.261 0.000 1.994 68 L HA -0.180 4.162 4.340 0.003 0.000 0.208 68 L C 2.468 179.196 176.870 -0.238 0.000 1.071 68 L CA 2.027 56.766 54.840 -0.168 0.000 0.745 68 L CB -0.655 41.434 42.059 0.051 0.000 0.892 68 L HN 0.196 nan 8.230 nan 0.000 0.431 69 V N -0.119 119.621 119.914 -0.290 0.000 2.323 69 V HA -0.202 3.920 4.120 0.003 0.000 0.244 69 V C 2.713 178.582 176.094 -0.375 0.000 1.041 69 V CA 1.674 63.808 62.300 -0.276 0.000 1.025 69 V CB -0.586 31.091 31.823 -0.243 0.000 0.656 69 V HN 0.389 nan 8.190 nan 0.000 0.451 70 R N 0.542 120.654 120.500 -0.647 0.000 2.073 70 R HA -0.009 4.333 4.340 0.003 0.000 0.229 70 R C 1.952 177.925 176.300 -0.544 0.000 1.120 70 R CA 1.518 57.198 56.100 -0.701 0.000 0.967 70 R CB -0.065 29.426 30.300 -1.348 0.000 0.862 70 R HN 0.349 nan 8.270 nan 0.000 0.436 71 K N -2.035 118.006 120.400 -0.599 0.000 2.440 71 K HA 0.268 4.590 4.320 0.003 0.000 0.207 71 K C 0.338 176.715 176.600 -0.372 0.000 1.112 71 K CA 0.618 56.620 56.287 -0.474 0.000 1.036 71 K CB 1.264 33.395 32.500 -0.616 0.000 0.935 71 K HN 0.326 nan 8.250 nan 0.000 0.564 72 G N 2.513 111.122 108.800 -0.319 0.000 2.198 72 G HA2 -0.256 3.706 3.960 0.003 0.000 0.260 72 G HA3 -0.256 3.706 3.960 0.003 0.000 0.260 72 G C -0.117 174.646 174.900 -0.229 0.000 1.025 72 G CA 0.290 45.258 45.100 -0.220 0.000 0.769 72 G HN 0.156 nan 8.290 nan 0.000 0.507 73 L N -0.797 120.247 121.223 -0.298 0.000 2.346 73 L HA 0.720 5.062 4.340 0.003 0.000 0.274 73 L C 0.029 176.800 176.870 -0.164 0.000 1.007 73 L CA -1.331 53.346 54.840 -0.271 0.000 0.818 73 L CB 1.894 43.684 42.059 -0.449 0.000 1.284 73 L HN 0.092 nan 8.230 nan 0.000 0.424 74 L N 3.484 124.662 121.223 -0.075 0.000 2.265 74 L HA 0.410 4.752 4.340 0.003 0.000 0.289 74 L C -0.477 176.409 176.870 0.027 0.000 1.033 74 L CA -0.268 54.561 54.840 -0.019 0.000 0.814 74 L CB 1.305 43.365 42.059 0.001 0.000 1.203 74 L HN 0.436 nan 8.230 nan 0.000 0.423 75 L N 9.121 130.373 121.223 0.047 0.000 2.462 75 L HA 0.420 4.762 4.340 0.003 0.000 0.272 75 L C -1.998 174.922 176.870 0.083 0.000 1.166 75 L CA -0.740 54.159 54.840 0.099 0.000 0.880 75 L CB 0.129 42.261 42.059 0.122 0.000 1.142 75 L HN 0.534 nan 8.230 nan 0.000 0.473 76 P HA 0.127 nan 4.420 nan 0.000 0.277 76 P C -1.213 176.147 177.300 0.100 0.000 1.271 76 P CA -0.572 62.587 63.100 0.097 0.000 0.795 76 P CB 0.489 32.252 31.700 0.106 0.000 1.101 77 D N -0.390 120.074 120.400 0.106 0.000 2.450 77 D HA 0.182 4.824 4.640 0.003 0.000 0.247 77 D C -0.145 176.233 176.300 0.129 0.000 1.162 77 D CA 0.497 54.564 54.000 0.110 0.000 0.879 77 D CB 0.417 41.297 40.800 0.134 0.000 1.163 77 D HN 0.003 nan 8.370 nan 0.000 0.472 78 V N 3.073 123.074 119.914 0.146 0.000 2.925 78 V HA 0.237 4.359 4.120 0.003 0.000 0.311 78 V C 0.169 176.393 176.094 0.216 0.000 1.104 78 V CA -0.664 61.747 62.300 0.184 0.000 0.954 78 V CB 2.265 34.214 31.823 0.209 0.000 1.022 78 V HN 0.424 nan 8.190 nan 0.000 0.427 79 N N 2.791 121.641 118.700 0.250 0.000 2.349 79 N HA 0.087 4.829 4.740 0.003 0.000 0.180 79 N C -0.408 175.384 175.510 0.469 0.000 1.024 79 N CA 0.756 53.977 53.050 0.285 0.000 0.869 79 N CB 0.145 38.733 38.487 0.168 0.000 1.022 79 N HN 0.575 nan 8.380 nan 0.000 0.433 80 W N 0.721 122.091 121.300 0.117 0.000 2.520 80 W HA 0.599 5.261 4.660 0.004 0.000 0.323 80 W C 1.076 177.575 176.519 -0.033 0.000 1.062 80 W CA -1.502 55.816 57.345 -0.044 0.000 1.215 80 W CB 0.733 29.985 29.460 -0.345 0.000 1.340 80 W HN 0.024 nan 8.180 nan 0.000 0.516 81 A N 1.983 124.899 122.820 0.160 0.000 1.902 81 A HA -0.217 4.105 4.320 0.003 0.000 0.217 81 A C 2.012 179.676 177.584 0.134 0.000 1.181 81 A CA 2.245 54.358 52.037 0.127 0.000 0.623 81 A CB -1.172 17.870 19.000 0.069 0.000 0.818 81 A HN 0.843 nan 8.150 nan 0.000 0.443 82 C N -1.543 117.809 119.300 0.088 0.000 2.410 82 C HA -0.111 4.351 4.460 0.003 0.000 0.281 82 C C 2.247 177.383 174.990 0.243 0.000 1.318 82 C CA 1.001 60.097 59.018 0.131 0.000 1.776 82 C CB -2.369 25.432 27.740 0.102 0.000 1.942 82 C HN 0.699 nan 8.230 nan 0.000 0.508 83 H N 0.524 119.763 119.070 0.283 0.000 2.546 83 H HA 0.156 4.715 4.556 0.004 0.000 0.277 83 H C 2.016 177.464 175.328 0.199 0.000 1.004 83 H CA 0.859 57.042 56.048 0.226 0.000 1.231 83 H CB -0.105 29.770 29.762 0.190 0.000 1.382 83 H HN 0.479 nan 8.280 nan 0.000 0.580 84 I N 0.160 120.919 120.570 0.314 0.000 2.361 84 I HA -0.281 3.891 4.170 0.003 0.000 0.251 84 I C 1.842 178.119 176.117 0.267 0.000 1.133 84 I CA 0.850 62.305 61.300 0.258 0.000 1.413 84 I CB -0.173 37.968 38.000 0.235 0.000 1.073 84 I HN 0.264 nan 8.210 nan 0.000 0.424 85 F N 1.668 121.693 119.950 0.125 0.000 2.408 85 F HA -0.192 4.337 4.527 0.004 0.000 0.300 85 F C 2.230 178.062 175.800 0.053 0.000 1.090 85 F CA 1.425 59.470 58.000 0.074 0.000 1.427 85 F CB -0.288 38.752 39.000 0.067 0.000 1.070 85 F HN 0.165 nan 8.300 nan 0.000 0.549 86 Q N -0.125 119.704 119.800 0.049 0.000 2.408 86 Q HA 0.132 4.475 4.340 0.003 0.000 0.205 86 Q C 0.459 176.429 176.000 -0.050 0.000 0.919 86 Q CA -0.138 55.635 55.803 -0.049 0.000 0.932 86 Q CB 0.251 29.009 28.738 0.033 0.000 1.058 86 Q HN 0.297 nan 8.270 nan 0.000 0.517 87 L N 1.653 122.879 121.223 0.004 0.000 2.525 87 L HA -0.074 4.269 4.340 0.003 0.000 0.278 87 L C 1.112 177.965 176.870 -0.028 0.000 1.218 87 L CA 0.570 55.425 54.840 0.026 0.000 0.878 87 L CB 0.412 42.526 42.059 0.093 0.000 1.127 87 L HN 0.097 nan 8.230 nan 0.000 0.492 88 K N 1.648 122.041 120.400 -0.011 0.000 2.335 88 K HA 0.098 4.420 4.320 0.003 0.000 0.195 88 K C -0.123 176.481 176.600 0.006 0.000 1.058 88 K CA 0.343 56.611 56.287 -0.031 0.000 0.988 88 K CB 0.501 32.981 32.500 -0.034 0.000 0.880 88 K HN 0.698 nan 8.250 nan 0.000 0.513 89 E N 0.173 120.407 120.200 0.057 0.000 2.392 89 E HA 0.360 4.712 4.350 0.003 0.000 0.279 89 E C -0.884 175.816 176.600 0.167 0.000 0.964 89 E CA -1.052 55.417 56.400 0.114 0.000 0.777 89 E CB 1.849 31.589 29.700 0.065 0.000 1.249 89 E HN -0.104 nan 8.360 nan 0.000 0.449 90 V N -0.899 119.166 119.914 0.253 0.000 3.182 90 V HA 0.754 4.876 4.120 0.003 0.000 0.311 90 V C -0.533 175.668 176.094 0.178 0.000 1.221 90 V CA -1.247 61.179 62.300 0.209 0.000 1.060 90 V CB 1.641 33.613 31.823 0.248 0.000 1.164 90 V HN 0.757 nan 8.190 nan 0.000 0.466 91 R N 0.155 120.716 120.500 0.102 0.000 2.740 91 R HA 0.416 4.758 4.340 0.003 0.000 0.282 91 R C -0.943 175.372 176.300 0.025 0.000 0.969 91 R CA -0.681 55.463 56.100 0.074 0.000 0.918 91 R CB 1.627 31.947 30.300 0.034 0.000 1.175 91 R HN 0.923 nan 8.270 nan 0.000 0.464 92 D N 1.782 122.200 120.400 0.031 0.000 2.434 92 D HA -0.004 4.638 4.640 0.003 0.000 0.252 92 D C 0.775 177.069 176.300 -0.009 0.000 1.185 92 D CA 0.174 54.166 54.000 -0.015 0.000 0.886 92 D CB 1.346 42.157 40.800 0.019 0.000 1.148 92 D HN 0.662 nan 8.370 nan 0.000 0.483 93 A N 4.333 127.139 122.820 -0.025 0.000 1.908 93 A HA -0.146 4.176 4.320 0.003 0.000 0.218 93 A C 2.084 179.705 177.584 0.061 0.000 1.181 93 A CA 1.969 54.014 52.037 0.012 0.000 0.627 93 A CB -0.385 18.610 19.000 -0.008 0.000 0.818 93 A HN 0.683 nan 8.150 nan 0.000 0.445 94 A N -0.917 121.931 122.820 0.047 0.000 1.898 94 A HA 0.018 4.340 4.320 0.003 0.000 0.214 94 A C 2.373 180.038 177.584 0.135 0.000 1.183 94 A CA 2.258 54.347 52.037 0.087 0.000 0.622 94 A CB -0.894 18.134 19.000 0.046 0.000 0.824 94 A HN 0.769 nan 8.150 nan 0.000 0.444 95 T N -6.667 107.925 114.554 0.063 0.000 3.037 95 T HA 0.200 4.552 4.350 0.003 0.000 0.252 95 T C 0.961 175.601 174.700 -0.100 0.000 1.073 95 T CA 1.498 63.615 62.100 0.029 0.000 1.091 95 T CB 0.143 69.024 68.868 0.022 0.000 0.935 95 T HN 0.470 nan 8.240 nan 0.000 0.488 96 T N 0.495 114.993 114.554 -0.095 0.000 6.445 96 T HA -0.128 4.224 4.350 0.003 0.000 0.280 96 T C -0.192 174.467 174.700 -0.068 0.000 2.174 96 T CA 1.053 63.066 62.100 -0.146 0.000 3.648 96 T CB -1.202 67.449 68.868 -0.361 0.000 1.091 96 T HN 0.584 nan 8.240 nan 0.000 1.002 97 E N 2.177 122.361 120.200 -0.027 0.000 2.384 97 E HA 0.351 4.703 4.350 0.003 0.000 0.266 97 E C 0.354 176.985 176.600 0.052 0.000 1.012 97 E CA 0.110 56.513 56.400 0.006 0.000 0.901 97 E CB 0.838 30.554 29.700 0.027 0.000 0.967 97 E HN 0.320 nan 8.360 nan 0.000 0.435 98 S N 2.053 117.776 115.700 0.039 0.000 2.558 98 S HA 0.051 4.523 4.470 0.003 0.000 0.293 98 S C -0.344 174.340 174.600 0.139 0.000 1.292 98 S CA 0.123 58.365 58.200 0.070 0.000 1.063 98 S CB -0.074 63.137 63.200 0.019 0.000 0.831 98 S HN 0.372 nan 8.310 nan 0.000 0.499 99 F N 2.753 122.718 119.950 0.026 0.000 2.507 99 F HA 0.614 5.143 4.527 0.004 0.000 0.328 99 F C -0.056 175.780 175.800 0.061 0.000 1.136 99 F CA -0.876 57.152 58.000 0.048 0.000 0.930 99 F CB 0.751 39.794 39.000 0.071 0.000 1.166 99 F HN 0.596 nan 8.300 nan 0.000 0.436 100 A N 5.441 128.036 122.820 -0.375 0.000 2.388 100 A HA 0.583 4.905 4.320 0.003 0.000 0.257 100 A C -0.568 176.931 177.584 -0.141 0.000 1.095 100 A CA -0.031 51.883 52.037 -0.206 0.000 0.791 100 A CB 0.509 19.369 19.000 -0.234 0.000 1.029 100 A HN 1.193 nan 8.150 nan 0.000 0.489 101 V N 1.151 121.058 119.914 -0.012 0.000 2.975 101 V HA 0.835 4.957 4.120 0.003 0.000 0.318 101 V C -0.511 175.502 176.094 -0.136 0.000 1.077 101 V CA -0.968 61.298 62.300 -0.057 0.000 1.000 101 V CB 1.541 33.300 31.823 -0.107 0.000 1.066 101 V HN 0.963 nan 8.190 nan 0.000 0.452 102 L N 2.721 123.840 121.223 -0.174 0.000 2.325 102 L HA 0.499 4.841 4.340 0.003 0.000 0.281 102 L C -0.085 176.662 176.870 -0.205 0.000 1.004 102 L CA -0.108 54.636 54.840 -0.160 0.000 0.823 102 L CB 1.469 43.463 42.059 -0.108 0.000 1.236 102 L HN 1.002 nan 8.230 nan 0.000 0.415 103 Q N 4.228 123.874 119.800 -0.256 0.000 2.295 103 Q HA 0.436 4.779 4.340 0.003 0.000 0.259 103 Q C -1.596 174.224 176.000 -0.300 0.000 0.976 103 Q CA -0.434 55.153 55.803 -0.360 0.000 0.923 103 Q CB 1.086 29.466 28.738 -0.596 0.000 1.185 103 Q HN 0.616 nan 8.270 nan 0.000 0.410 104 V N 5.703 125.402 119.914 -0.358 0.000 2.409 104 V HA 0.410 4.532 4.120 0.003 0.000 0.291 104 V C 0.049 175.788 176.094 -0.592 0.000 1.020 104 V CA -0.755 61.233 62.300 -0.519 0.000 0.848 104 V CB 1.442 32.820 31.823 -0.742 0.000 0.990 104 V HN 0.809 nan 8.190 nan 0.000 0.430 105 R N 2.680 123.009 120.500 -0.285 0.000 2.594 105 R HA 0.202 4.544 4.340 0.003 0.000 0.272 105 R C 0.196 176.240 176.300 -0.427 0.000 1.074 105 R CA -0.492 55.506 56.100 -0.169 0.000 1.105 105 R CB 0.454 30.746 30.300 -0.014 0.000 1.008 105 R HN 0.665 nan 8.270 nan 0.000 0.472 106 N N 0.385 118.888 118.700 -0.329 0.000 2.482 106 N HA 0.059 4.801 4.740 0.003 0.000 0.260 106 N C 0.318 175.856 175.510 0.045 0.000 1.236 106 N CA 1.335 54.356 53.050 -0.048 0.000 0.938 106 N CB 0.789 39.318 38.487 0.070 0.000 1.128 106 N HN 0.727 nan 8.380 nan 0.000 0.448 107 G N 0.584 109.486 108.800 0.170 0.000 2.248 107 G HA2 -0.193 3.770 3.960 0.003 0.000 0.263 107 G HA3 -0.193 3.770 3.960 0.003 0.000 0.263 107 G C 0.092 175.066 174.900 0.124 0.000 1.082 107 G CA 0.649 45.835 45.100 0.143 0.000 0.863 107 G HN 1.009 nan 8.290 nan 0.000 0.495 108 T N -5.071 109.588 114.554 0.174 0.000 2.654 108 T HA 0.721 5.073 4.350 0.003 0.000 0.289 108 T C 1.521 176.366 174.700 0.242 0.000 1.062 108 T CA 0.921 63.108 62.100 0.145 0.000 1.041 108 T CB 1.072 69.986 68.868 0.076 0.000 1.417 108 T HN 0.979 nan 8.240 nan 0.000 0.510 109 T N -1.252 113.428 114.554 0.210 0.000 3.088 109 T HA 0.161 4.513 4.350 0.003 0.000 0.259 109 T C 0.772 175.698 174.700 0.376 0.000 1.122 109 T CA 0.373 62.644 62.100 0.284 0.000 1.095 109 T CB -0.807 68.166 68.868 0.175 0.000 0.930 109 T HN 0.678 nan 8.240 nan 0.000 0.508 110 T N 3.204 117.918 114.554 0.266 0.000 2.752 110 T HA 0.242 4.594 4.350 0.003 0.000 0.295 110 T C -0.034 174.764 174.700 0.162 0.000 0.923 110 T CA -0.499 61.715 62.100 0.192 0.000 1.112 110 T CB 0.966 69.911 68.868 0.128 0.000 0.884 110 T HN 0.324 nan 8.240 nan 0.000 0.525 111 K N 4.918 125.179 120.400 -0.231 0.000 2.401 111 K HA 0.141 4.463 4.320 0.003 0.000 0.278 111 K C -2.124 174.257 176.600 -0.365 0.000 1.018 111 K CA -1.634 54.114 56.287 -0.898 0.000 0.981 111 K CB 0.379 32.082 32.500 -1.328 0.000 0.933 111 K HN 0.275 nan 8.250 nan 0.000 0.477 112 P HA 0.049 nan 4.420 nan 0.000 0.272 112 P C -1.135 175.831 177.300 -0.557 0.000 1.223 112 P CA 0.149 62.758 63.100 -0.817 0.000 0.784 112 P CB 0.734 31.524 31.700 -1.516 0.000 0.923 113 E N 0.044 119.991 120.200 -0.422 0.000 2.244 113 E HA 0.573 4.925 4.350 0.003 0.000 0.266 113 E C -0.321 176.152 176.600 -0.212 0.000 0.914 113 E CA -1.190 55.068 56.400 -0.236 0.000 0.794 113 E CB 1.843 31.504 29.700 -0.065 0.000 1.210 113 E HN 0.472 nan 8.360 nan 0.000 0.414 114 A N 1.760 124.502 122.820 -0.130 0.000 2.492 114 A HA 0.063 4.385 4.320 0.003 0.000 0.236 114 A C 0.011 177.638 177.584 0.072 0.000 1.078 114 A CA 0.193 52.200 52.037 -0.050 0.000 0.773 114 A CB -0.039 18.953 19.000 -0.014 0.000 1.023 114 A HN 0.855 nan 8.150 nan 0.000 0.504 115 D N -1.766 118.727 120.400 0.156 0.000 2.723 115 D HA -0.139 4.504 4.640 0.003 0.000 0.236 115 D C 0.038 176.630 176.300 0.487 0.000 1.138 115 D CA 1.411 55.675 54.000 0.439 0.000 0.676 115 D CB -1.742 39.324 40.800 0.442 0.000 1.069 115 D HN 1.113 nan 8.370 nan 0.000 0.430 116 A N 0.131 123.082 122.820 0.219 0.000 2.380 116 A HA 0.725 5.047 4.320 0.003 0.000 0.315 116 A C 0.129 177.791 177.584 0.129 0.000 1.101 116 A CA -0.672 51.533 52.037 0.280 0.000 0.771 116 A CB 1.328 20.446 19.000 0.198 0.000 1.287 116 A HN 0.182 nan 8.150 nan 0.000 0.436 117 L N 2.072 123.460 121.223 0.276 0.000 2.278 117 L HA 0.269 4.611 4.340 0.003 0.000 0.287 117 L C -0.477 176.517 176.870 0.207 0.000 1.072 117 L CA -0.492 54.453 54.840 0.174 0.000 0.819 117 L CB 0.821 43.054 42.059 0.290 0.000 1.176 117 L HN 0.647 nan 8.230 nan 0.000 0.435 118 L N 5.560 126.855 121.223 0.120 0.000 2.290 118 L HA 0.398 4.740 4.340 0.003 0.000 0.284 118 L C -0.364 176.589 176.870 0.138 0.000 1.078 118 L CA 0.071 55.003 54.840 0.154 0.000 0.815 118 L CB 1.437 43.538 42.059 0.069 0.000 1.162 118 L HN 0.240 nan 8.230 nan 0.000 0.435 119 V N 6.031 126.010 119.914 0.108 0.000 2.409 119 V HA 0.364 4.486 4.120 0.003 0.000 0.291 119 V C -0.538 175.568 176.094 0.020 0.000 1.020 119 V CA -0.643 61.712 62.300 0.093 0.000 0.848 119 V CB 0.967 32.853 31.823 0.106 0.000 0.990 119 V HN 0.559 nan 8.190 nan 0.000 0.430 120 Y N 6.122 126.417 120.300 -0.009 0.000 2.320 120 Y HA 0.426 4.978 4.550 0.003 0.000 0.324 120 Y C -1.788 174.116 175.900 0.007 0.000 1.190 120 Y CA -2.352 55.754 58.100 0.011 0.000 1.215 120 Y CB 1.608 40.108 38.460 0.068 0.000 1.221 120 Y HN 0.426 nan 8.280 nan 0.000 0.486 121 P HA -0.030 nan 4.420 nan 0.000 0.274 121 P C -0.381 176.992 177.300 0.122 0.000 1.231 121 P CA -0.340 62.822 63.100 0.104 0.000 0.790 121 P CB 1.205 32.944 31.700 0.065 0.000 0.951 122 S N 1.241 116.999 115.700 0.095 0.000 2.737 122 S HA 0.124 4.596 4.470 0.003 0.000 0.315 122 S C 0.528 175.168 174.600 0.067 0.000 1.236 122 S CA 0.475 58.709 58.200 0.056 0.000 1.093 122 S CB -1.028 62.240 63.200 0.113 0.000 0.832 122 S HN 0.691 nan 8.310 nan 0.000 0.507 123 T N 1.934 116.517 114.554 0.047 0.000 2.645 123 T HA 0.493 4.845 4.350 0.003 0.000 0.273 123 T C 0.225 174.939 174.700 0.023 0.000 0.960 123 T CA -0.634 61.496 62.100 0.051 0.000 1.051 123 T CB 0.483 69.393 68.868 0.071 0.000 1.366 123 T HN 0.332 nan 8.240 nan 0.000 0.536 124 D N 0.176 120.592 120.400 0.026 0.000 2.183 124 D HA 0.241 4.883 4.640 0.003 0.000 0.205 124 D C 2.317 178.619 176.300 0.003 0.000 0.962 124 D CA 1.330 55.336 54.000 0.009 0.000 0.849 124 D CB -0.735 40.073 40.800 0.013 0.000 0.978 124 D HN 0.657 nan 8.370 nan 0.000 0.488 125 A N 0.865 123.702 122.820 0.029 0.000 1.883 125 A HA -0.124 4.198 4.320 0.003 0.000 0.217 125 A C 0.873 178.525 177.584 0.113 0.000 1.186 125 A CA 1.178 53.253 52.037 0.063 0.000 0.624 125 A CB -0.221 18.812 19.000 0.056 0.000 0.822 125 A HN 0.117 nan 8.150 nan 0.000 0.444 126 N N -0.630 118.121 118.700 0.085 0.000 2.898 126 N HA 0.309 5.051 4.740 0.003 0.000 0.245 126 N C -2.476 173.001 175.510 -0.055 0.000 1.185 126 N CA -1.609 51.493 53.050 0.087 0.000 0.879 126 N CB 1.135 39.697 38.487 0.124 0.000 1.157 126 N HN 0.054 nan 8.380 nan 0.000 0.503 127 P HA -0.171 nan 4.420 nan 0.000 0.216 127 P C 1.469 178.361 177.300 -0.681 0.000 1.150 127 P CA 1.101 64.005 63.100 -0.327 0.000 0.843 127 P CB 0.399 31.889 31.700 -0.350 0.000 0.787 128 V N -5.560 113.912 119.914 -0.738 0.000 3.649 128 V HA 0.439 4.561 4.120 0.003 0.000 0.275 128 V C 1.077 176.978 176.094 -0.321 0.000 1.281 128 V CA 0.459 62.177 62.300 -0.971 0.000 1.143 128 V CB -1.017 30.261 31.823 -0.910 0.000 0.892 128 V HN 0.329 nan 8.190 nan 0.000 0.441 129 G N 0.586 109.306 108.800 -0.133 0.000 2.562 129 G HA2 -0.209 3.753 3.960 0.003 0.000 0.250 129 G HA3 -0.209 3.753 3.960 0.003 0.000 0.250 129 G C -0.311 174.655 174.900 0.110 0.000 1.269 129 G CA 0.602 45.728 45.100 0.044 0.000 0.919 129 G HN 1.555 nan 8.290 nan 0.000 0.574 130 H N -2.215 116.853 119.070 -0.004 0.000 3.064 130 H HA 0.672 5.230 4.556 0.003 0.000 0.352 130 H C -1.187 174.148 175.328 0.012 0.000 1.260 130 H CA 0.128 56.100 56.048 -0.126 0.000 1.160 130 H CB 2.012 31.407 29.762 -0.612 0.000 1.879 130 H HN 1.227 nan 8.280 nan 0.000 0.544 131 V N 3.590 123.128 119.914 -0.627 0.000 2.735 131 V HA 0.934 5.056 4.120 0.003 0.000 0.310 131 V C -0.358 175.389 176.094 -0.578 0.000 1.061 131 V CA 0.431 62.512 62.300 -0.365 0.000 0.913 131 V CB 1.503 33.283 31.823 -0.072 0.000 1.005 131 V HN 1.048 nan 8.190 nan 0.000 0.428 132 G N 2.737 111.405 108.800 -0.220 0.000 2.695 132 G HA2 0.599 4.561 3.960 0.003 0.000 0.290 132 G HA3 0.599 4.561 3.960 0.003 0.000 0.290 132 G C -1.027 173.795 174.900 -0.129 0.000 1.410 132 G CA -0.506 44.513 45.100 -0.135 0.000 0.844 132 G HN 0.688 nan 8.290 nan 0.000 0.478 133 T N 1.330 115.753 114.554 -0.220 0.000 2.767 133 T HA 0.406 4.758 4.350 0.003 0.000 0.284 133 T C 0.461 174.942 174.700 -0.364 0.000 0.973 133 T CA -0.121 61.692 62.100 -0.478 0.000 0.996 133 T CB 0.940 69.211 68.868 -0.996 0.000 0.927 133 T HN 0.328 nan 8.240 nan 0.000 0.456 134 I N 4.033 124.421 120.570 -0.304 0.000 2.421 134 I HA 0.075 4.247 4.170 0.003 0.000 0.291 134 I C 1.896 177.896 176.117 -0.194 0.000 1.089 134 I CA -0.137 61.015 61.300 -0.247 0.000 1.354 134 I CB 0.740 38.578 38.000 -0.270 0.000 1.413 134 I HN 0.814 nan 8.210 nan 0.000 0.513 135 T N 1.425 115.882 114.554 -0.160 0.000 3.044 135 T HA 0.113 4.465 4.350 0.003 0.000 0.255 135 T C 0.490 175.174 174.700 -0.027 0.000 1.073 135 T CA 0.122 62.189 62.100 -0.054 0.000 1.125 135 T CB 0.378 69.221 68.868 -0.042 0.000 0.908 135 T HN 0.664 nan 8.240 nan 0.000 0.480 136 E N -0.173 119.984 120.200 -0.072 0.000 2.378 136 E HA 0.517 4.869 4.350 0.003 0.000 0.283 136 E C -2.215 174.292 176.600 -0.155 0.000 0.979 136 E CA -0.785 55.580 56.400 -0.059 0.000 0.795 136 E CB 2.426 32.147 29.700 0.036 0.000 1.221 136 E HN 0.057 nan 8.360 nan 0.000 0.428 137 V N 2.557 122.322 119.914 -0.249 0.000 2.604 137 V HA 0.803 4.925 4.120 0.003 0.000 0.305 137 V C 0.481 176.234 176.094 -0.568 0.000 1.043 137 V CA -0.053 61.987 62.300 -0.435 0.000 0.888 137 V CB 1.573 33.142 31.823 -0.424 0.000 0.995 137 V HN 0.765 nan 8.190 nan 0.000 0.429 138 G N 1.496 109.690 108.800 -1.010 0.000 3.175 138 G HA2 0.448 4.410 3.960 0.003 0.000 0.255 138 G HA3 0.448 4.410 3.960 0.003 0.000 0.255 138 G C -0.022 174.607 174.900 -0.450 0.000 1.352 138 G CA -0.242 44.344 45.100 -0.856 0.000 1.037 138 G HN 0.555 nan 8.290 nan 0.000 0.556 139 D N -0.057 120.243 120.400 -0.167 0.000 2.117 139 D HA -0.027 4.615 4.640 0.003 0.000 0.197 139 D C 1.134 177.517 176.300 0.138 0.000 0.987 139 D CA 1.830 55.861 54.000 0.050 0.000 0.829 139 D CB 0.228 41.093 40.800 0.109 0.000 0.961 139 D HN 0.491 nan 8.370 nan 0.000 0.460 140 D N -1.884 118.574 120.400 0.097 0.000 2.636 140 D HA 0.030 4.672 4.640 0.003 0.000 0.270 140 D C -0.324 176.094 176.300 0.197 0.000 1.430 140 D CA -0.592 53.509 54.000 0.168 0.000 0.796 140 D CB -0.847 40.057 40.800 0.174 0.000 1.117 140 D HN 0.343 nan 8.370 nan 0.000 0.480 141 Y N -0.841 119.478 120.300 0.032 0.000 2.597 141 Y HA 0.721 5.273 4.550 0.004 0.000 0.340 141 Y C -1.211 174.651 175.900 -0.062 0.000 1.097 141 Y CA -1.749 56.347 58.100 -0.006 0.000 1.037 141 Y CB 1.342 39.795 38.460 -0.011 0.000 1.305 141 Y HN -0.048 nan 8.280 nan 0.000 0.463 142 V N -1.117 118.820 119.914 0.039 0.000 2.823 142 V HA 0.760 4.882 4.120 0.003 0.000 0.312 142 V C -0.818 175.317 176.094 0.070 0.000 1.072 142 V CA -1.104 61.158 62.300 -0.065 0.000 0.937 142 V CB 1.209 32.908 31.823 -0.207 0.000 1.013 142 V HN 1.086 nan 8.190 nan 0.000 0.430 143 C N 3.634 122.940 119.300 0.009 0.000 2.319 143 C HA 0.813 5.275 4.460 0.003 0.000 0.335 143 C C 0.175 175.020 174.990 -0.242 0.000 1.274 143 C CA -0.388 58.576 59.018 -0.090 0.000 1.806 143 C CB 0.538 28.252 27.740 -0.044 0.000 2.329 143 C HN 0.807 nan 8.230 nan 0.000 0.524 144 V N 3.079 122.729 119.914 -0.440 0.000 2.540 144 V HA 0.767 4.889 4.120 0.003 0.000 0.302 144 V C 0.185 175.839 176.094 -0.734 0.000 1.035 144 V CA -0.319 61.641 62.300 -0.566 0.000 0.873 144 V CB 1.594 33.026 31.823 -0.652 0.000 0.992 144 V HN 1.028 nan 8.190 nan 0.000 0.428 145 A N 4.082 126.599 122.820 -0.506 0.000 2.318 145 A HA 0.920 5.243 4.320 0.003 0.000 0.324 145 A C -0.742 176.591 177.584 -0.419 0.000 1.170 145 A CA -0.375 51.372 52.037 -0.483 0.000 0.810 145 A CB 0.929 19.862 19.000 -0.111 0.000 1.198 145 A HN 0.974 nan 8.150 nan 0.000 0.484 146 D N 1.065 121.144 120.400 -0.535 0.000 2.692 146 D HA 0.411 5.053 4.640 0.003 0.000 0.303 146 D C -0.841 175.178 176.300 -0.469 0.000 1.278 146 D CA -0.468 53.242 54.000 -0.483 0.000 0.852 146 D CB 0.454 41.213 40.800 -0.068 0.000 1.375 146 D HN 0.444 nan 8.370 nan 0.000 0.453 147 Q N -0.856 118.832 119.800 -0.188 0.000 2.399 147 Q HA 0.519 4.861 4.340 0.003 0.000 0.276 147 Q C -0.687 175.380 176.000 0.113 0.000 1.098 147 Q CA -0.874 54.909 55.803 -0.032 0.000 0.827 147 Q CB 1.636 30.443 28.738 0.115 0.000 1.386 147 Q HN 0.603 nan 8.270 nan 0.000 0.443 148 N N -0.219 118.480 118.700 -0.001 0.000 2.776 148 N HA -0.242 4.500 4.740 0.003 0.000 0.249 148 N C -1.202 174.347 175.510 0.066 0.000 1.111 148 N CA 0.867 53.983 53.050 0.109 0.000 0.711 148 N CB -0.842 37.849 38.487 0.340 0.000 1.065 148 N HN 0.725 nan 8.380 nan 0.000 0.556 149 Y N -0.721 119.278 120.300 -0.502 0.000 2.784 149 Y HA 0.449 5.001 4.550 0.003 0.000 0.267 149 Y C 0.696 176.293 175.900 -0.505 0.000 1.117 149 Y CA 0.468 58.295 58.100 -0.455 0.000 1.231 149 Y CB 0.521 38.691 38.460 -0.482 0.000 1.441 149 Y HN 0.037 nan 8.280 nan 0.000 0.469 150 R N -0.501 119.690 120.500 -0.515 0.000 2.621 150 R HA 0.387 4.729 4.340 0.003 0.000 0.292 150 R C -1.311 174.619 176.300 -0.618 0.000 0.969 150 R CA -0.301 55.611 56.100 -0.313 0.000 0.887 150 R CB 0.903 31.270 30.300 0.111 0.000 1.180 150 R HN 0.007 nan 8.270 nan 0.000 0.450 151 F N 0.876 120.723 119.950 -0.172 0.000 2.683 151 F HA 0.215 4.744 4.527 0.003 0.000 0.306 151 F C 0.384 176.079 175.800 -0.174 0.000 1.102 151 F CA -0.642 57.186 58.000 -0.287 0.000 1.244 151 F CB 0.090 38.745 39.000 -0.575 0.000 1.029 151 F HN 0.574 nan 8.300 nan 0.000 0.545 152 H N -1.548 117.554 119.070 0.053 0.000 2.508 152 H HA 0.460 5.018 4.556 0.003 0.000 0.358 152 H C 0.079 175.489 175.328 0.137 0.000 1.212 152 H CA -1.383 54.735 56.048 0.117 0.000 1.356 152 H CB 0.640 30.479 29.762 0.128 0.000 1.525 152 H HN -0.156 nan 8.280 nan 0.000 0.578 153 K N 2.259 122.756 120.400 0.161 0.000 2.378 153 K HA 0.063 4.385 4.320 0.003 0.000 0.288 153 K C -1.135 175.646 176.600 0.302 0.000 1.057 153 K CA -0.403 55.932 56.287 0.080 0.000 0.971 153 K CB -0.023 32.523 32.500 0.075 0.000 0.975 153 K HN 0.448 nan 8.250 nan 0.000 0.475 154 W N 3.649 124.908 121.300 -0.068 0.000 2.170 154 W HA 0.039 4.700 4.660 0.002 0.000 0.342 154 W C 1.360 177.918 176.519 0.065 0.000 1.294 154 W CA -0.395 56.965 57.345 0.025 0.000 1.246 154 W CB 0.037 29.453 29.460 -0.072 0.000 1.156 154 W HN 0.790 nan 8.180 nan 0.000 0.572 155 E N 0.197 120.578 120.200 0.301 0.000 2.340 155 E HA 0.043 4.395 4.350 0.003 0.000 0.194 155 E C 0.429 177.112 176.600 0.139 0.000 0.996 155 E CA 0.690 57.191 56.400 0.168 0.000 0.869 155 E CB 0.224 29.986 29.700 0.102 0.000 0.835 155 E HN 0.263 nan 8.360 nan 0.000 0.493 156 S N 0.817 116.610 115.700 0.155 0.000 3.132 156 S HA 0.254 4.726 4.470 0.003 0.000 0.322 156 S C 0.648 175.376 174.600 0.213 0.000 1.124 156 S CA -0.179 58.094 58.200 0.123 0.000 0.906 156 S CB 0.849 64.069 63.200 0.033 0.000 1.349 156 S HN 0.142 nan 8.310 nan 0.000 0.686 157 S N -0.510 115.279 115.700 0.149 0.000 2.743 157 S HA 0.359 4.831 4.470 0.003 0.000 0.230 157 S C 0.618 175.247 174.600 0.048 0.000 0.950 157 S CA -0.236 58.098 58.200 0.224 0.000 0.976 157 S CB -1.858 61.439 63.200 0.163 0.000 0.779 157 S HN 1.125 nan 8.310 nan 0.000 0.487 158 C N -2.092 117.033 119.300 -0.292 0.000 3.171 158 C HA 0.953 5.415 4.460 0.003 0.000 0.308 158 C C 1.542 175.548 174.990 -1.639 0.000 1.334 158 C CA -0.351 58.138 59.018 -0.881 0.000 1.473 158 C CB 1.099 28.525 27.740 -0.524 0.000 1.866 158 C HN 0.263 nan 8.230 nan 0.000 0.465 159 A N 0.163 121.796 122.820 -1.979 0.000 1.930 159 A HA 0.464 4.786 4.320 0.003 0.000 0.215 159 A C 0.498 177.828 177.584 -0.424 0.000 1.176 159 A CA 1.686 52.796 52.037 -1.544 0.000 0.632 159 A CB -0.363 18.156 19.000 -0.802 0.000 0.819 159 A HN 1.692 nan 8.150 nan 0.000 0.445 160 Y N -4.249 115.828 120.300 -0.371 0.000 2.702 160 Y HA 0.657 5.209 4.550 0.003 0.000 0.336 160 Y C -0.945 174.874 175.900 -0.135 0.000 1.203 160 Y CA -1.737 56.257 58.100 -0.177 0.000 1.072 160 Y CB 0.622 39.036 38.460 -0.076 0.000 1.327 160 Y HN -0.152 nan 8.280 nan 0.000 0.456 161 K N 2.200 122.654 120.400 0.090 0.000 2.182 161 K HA 0.670 4.992 4.320 0.003 0.000 0.262 161 K C -1.232 175.474 176.600 0.178 0.000 0.957 161 K CA -0.701 55.624 56.287 0.065 0.000 0.842 161 K CB 1.779 34.272 32.500 -0.013 0.000 1.099 161 K HN 0.649 nan 8.250 nan 0.000 0.438 162 L N 2.131 123.457 121.223 0.172 0.000 2.334 162 L HA 0.425 4.767 4.340 0.003 0.000 0.270 162 L C 0.024 176.973 176.870 0.133 0.000 1.018 162 L CA -1.021 53.920 54.840 0.168 0.000 0.811 162 L CB 1.483 43.642 42.059 0.166 0.000 1.271 162 L HN 0.475 nan 8.230 nan 0.000 0.443 163 K N 1.794 122.261 120.400 0.112 0.000 2.379 163 K HA 0.252 4.574 4.320 0.003 0.000 0.284 163 K C -0.934 175.727 176.600 0.101 0.000 1.044 163 K CA -0.376 55.976 56.287 0.108 0.000 0.974 163 K CB 0.619 33.171 32.500 0.086 0.000 0.962 163 K HN 0.299 nan 8.250 nan 0.000 0.474 164 L N 4.882 126.176 121.223 0.118 0.000 2.295 164 L HA 0.316 4.659 4.340 0.003 0.000 0.281 164 L C -1.174 175.811 176.870 0.193 0.000 1.018 164 L CA -0.280 54.643 54.840 0.137 0.000 0.841 164 L CB 1.053 43.165 42.059 0.088 0.000 1.218 164 L HN 0.673 nan 8.230 nan 0.000 0.424 165 D N 2.955 123.462 120.400 0.178 0.000 2.308 165 D HA 0.181 4.823 4.640 0.003 0.000 0.251 165 D C -0.916 175.466 176.300 0.137 0.000 1.127 165 D CA 0.264 54.343 54.000 0.132 0.000 0.876 165 D CB 0.472 41.328 40.800 0.093 0.000 1.176 165 D HN 0.636 nan 8.370 nan 0.000 0.446 166 H N 4.223 123.206 119.070 -0.144 0.000 2.708 166 H HA 0.402 4.960 4.556 0.003 0.000 0.320 166 H C -0.806 174.334 175.328 -0.313 0.000 0.991 166 H CA -1.050 54.718 56.048 -0.467 0.000 1.243 166 H CB 0.545 29.823 29.762 -0.807 0.000 1.446 166 H HN 0.488 nan 8.280 nan 0.000 0.502 167 R N 4.112 124.440 120.500 -0.288 0.000 2.535 167 R HA 0.205 4.547 4.340 0.003 0.000 0.274 167 R C -1.269 174.883 176.300 -0.247 0.000 1.090 167 R CA -0.763 55.160 56.100 -0.294 0.000 0.930 167 R CB 1.108 31.319 30.300 -0.149 0.000 1.223 167 R HN 0.569 nan 8.270 nan 0.000 0.441 168 D N 2.068 122.306 120.400 -0.270 0.000 2.746 168 D HA -0.186 4.456 4.640 0.003 0.000 0.236 168 D C 0.924 177.144 176.300 -0.133 0.000 1.129 168 D CA 2.042 55.941 54.000 -0.168 0.000 0.691 168 D CB -0.993 39.748 40.800 -0.099 0.000 1.077 168 D HN 1.173 nan 8.370 nan 0.000 0.432 169 G N -1.012 107.672 108.800 -0.194 0.000 2.267 169 G HA2 -0.330 3.632 3.960 0.003 0.000 0.257 169 G HA3 -0.330 3.632 3.960 0.003 0.000 0.257 169 G C 0.346 175.232 174.900 -0.024 0.000 0.998 169 G CA 0.406 45.472 45.100 -0.057 0.000 0.620 169 G HN 0.459 nan 8.290 nan 0.000 0.529 170 I N 0.475 121.012 120.570 -0.055 0.000 2.342 170 I HA 0.446 4.618 4.170 0.003 0.000 0.291 170 I C -0.100 176.034 176.117 0.029 0.000 1.010 170 I CA -1.505 59.814 61.300 0.032 0.000 1.308 170 I CB 0.462 38.484 38.000 0.036 0.000 1.400 170 I HN 0.190 nan 8.210 nan 0.000 0.488 171 W N 5.387 126.786 121.300 0.164 0.000 2.314 171 W HA 0.442 5.104 4.660 0.003 0.000 0.310 171 W C -0.105 176.499 176.519 0.141 0.000 1.075 171 W CA -0.382 57.040 57.345 0.128 0.000 1.253 171 W CB 1.510 31.016 29.460 0.076 0.000 1.238 171 W HN 0.342 nan 8.180 nan 0.000 0.440 172 T N 4.942 119.693 114.554 0.329 0.000 2.840 172 T HA 0.474 4.826 4.350 0.003 0.000 0.287 172 T C -0.254 174.556 174.700 0.182 0.000 0.991 172 T CA -0.662 61.577 62.100 0.232 0.000 0.964 172 T CB 0.859 69.812 68.868 0.142 0.000 0.954 172 T HN 0.113 nan 8.240 nan 0.000 0.438 173 I N 3.879 124.542 120.570 0.154 0.000 2.416 173 I HA 0.396 4.568 4.170 0.003 0.000 0.288 173 I C -0.293 175.852 176.117 0.047 0.000 1.051 173 I CA -0.393 60.946 61.300 0.065 0.000 1.375 173 I CB 0.622 38.616 38.000 -0.009 0.000 1.407 173 I HN 0.476 nan 8.210 nan 0.000 0.516 174 I N 5.455 126.056 120.570 0.052 0.000 2.466 174 I HA 0.191 4.363 4.170 0.003 0.000 0.289 174 I C -0.470 175.688 176.117 0.068 0.000 1.026 174 I CA -0.493 60.837 61.300 0.050 0.000 1.078 174 I CB 1.956 39.991 38.000 0.059 0.000 1.249 174 I HN 0.454 nan 8.210 nan 0.000 0.429 175 D N 6.331 126.780 120.400 0.082 0.000 2.468 175 D HA 0.113 4.755 4.640 0.003 0.000 0.218 175 D C -0.324 176.030 176.300 0.088 0.000 1.155 175 D CA -0.069 54.011 54.000 0.133 0.000 0.924 175 D CB 0.636 41.605 40.800 0.282 0.000 1.029 175 D HN 0.531 nan 8.370 nan 0.000 0.515 176 D N 2.658 123.094 120.400 0.060 0.000 2.670 176 D HA 0.073 4.715 4.640 0.003 0.000 0.255 176 D C 1.556 177.864 176.300 0.014 0.000 1.286 176 D CA -0.320 53.701 54.000 0.035 0.000 0.830 176 D CB -0.332 40.489 40.800 0.035 0.000 1.065 176 D HN 0.351 nan 8.370 nan 0.000 0.486 177 I N 0.103 120.672 120.570 -0.003 0.000 2.315 177 I HA -0.107 4.065 4.170 0.003 0.000 0.248 177 I C 0.101 176.192 176.117 -0.043 0.000 1.117 177 I CA 0.954 62.235 61.300 -0.032 0.000 1.404 177 I CB 0.097 38.050 38.000 -0.079 0.000 1.071 177 I HN -0.050 nan 8.210 nan 0.000 0.419 178 D N 1.397 121.769 120.400 -0.047 0.000 2.412 178 D HA 0.286 4.928 4.640 0.003 0.000 0.224 178 D C 0.762 177.051 176.300 -0.018 0.000 1.093 178 D CA 0.016 53.991 54.000 -0.040 0.000 0.850 178 D CB 1.926 42.689 40.800 -0.061 0.000 1.046 178 D HN 0.082 nan 8.370 nan 0.000 0.507 179 A N 2.456 125.270 122.820 -0.011 0.000 2.067 179 A HA -0.146 4.176 4.320 0.003 0.000 0.219 179 A C 1.485 179.070 177.584 0.001 0.000 1.158 179 A CA 1.042 53.078 52.037 -0.001 0.000 0.661 179 A CB 0.138 19.138 19.000 -0.001 0.000 0.801 179 A HN 0.356 nan 8.150 nan 0.000 0.452 180 D N -0.720 119.678 120.400 -0.003 0.000 2.305 180 D HA 0.008 4.650 4.640 0.003 0.000 0.206 180 D C 0.541 176.842 176.300 0.003 0.000 0.974 180 D CA 0.544 54.544 54.000 -0.000 0.000 0.871 180 D CB 0.149 40.947 40.800 -0.004 0.000 0.947 180 D HN 0.552 nan 8.370 nan 0.000 0.516 181 E N 1.027 121.226 120.200 -0.001 0.000 2.751 181 E HA 0.240 4.592 4.350 0.003 0.000 0.219 181 E C -0.423 176.190 176.600 0.021 0.000 1.060 181 E CA -0.212 56.191 56.400 0.006 0.000 0.893 181 E CB 0.406 30.100 29.700 -0.011 0.000 1.300 181 E HN 0.094 nan 8.360 nan 0.000 0.433 182 I N 2.325 122.915 120.570 0.033 0.000 2.428 182 I HA 0.178 4.351 4.170 0.003 0.000 0.289 182 I C 0.374 176.538 176.117 0.078 0.000 1.019 182 I CA -0.100 61.230 61.300 0.050 0.000 1.351 182 I CB 0.913 38.937 38.000 0.040 0.000 1.412 182 I HN 0.181 nan 8.210 nan 0.000 0.513 183 E N 6.817 127.086 120.200 0.114 0.000 2.272 183 E HA 0.545 4.897 4.350 0.003 0.000 0.269 183 E C -0.950 175.699 176.600 0.082 0.000 0.877 183 E CA -0.604 55.891 56.400 0.158 0.000 0.755 183 E CB 3.106 33.012 29.700 0.344 0.000 1.192 183 E HN 0.423 nan 8.360 nan 0.000 0.422 184 I N 3.467 124.053 120.570 0.027 0.000 2.420 184 I HA 0.245 4.418 4.170 0.003 0.000 0.282 184 I C -2.344 173.693 176.117 -0.132 0.000 1.019 184 I CA -2.118 59.157 61.300 -0.043 0.000 1.130 184 I CB 1.743 39.742 38.000 -0.002 0.000 1.262 184 I HN 0.041 nan 8.210 nan 0.000 0.454 185 P HA 0.095 nan 4.420 nan 0.000 0.267 185 P C 0.918 178.073 177.300 -0.242 0.000 1.200 185 P CA -0.116 62.767 63.100 -0.361 0.000 0.772 185 P CB 0.772 32.224 31.700 -0.414 0.000 0.855 186 L N 0.618 121.630 121.223 -0.353 0.000 2.079 186 L HA -0.005 4.337 4.340 0.003 0.000 0.210 186 L C 1.414 177.844 176.870 -0.733 0.000 1.081 186 L CA 1.807 56.288 54.840 -0.597 0.000 0.752 186 L CB -0.850 40.617 42.059 -0.986 0.000 0.896 186 L HN 0.729 nan 8.230 nan 0.000 0.433 187 G N -2.000 106.466 108.800 -0.556 0.000 2.339 187 G HA2 0.131 4.093 3.960 0.003 0.000 0.275 187 G HA3 0.131 4.093 3.960 0.003 0.000 0.275 187 G C -2.311 172.604 174.900 0.025 0.000 1.323 187 G CA -0.431 44.412 45.100 -0.429 0.000 0.927 187 G HN 0.171 nan 8.290 nan 0.000 0.486 188 W N -1.112 120.287 121.300 0.165 0.000 3.062 188 W HA 0.831 5.494 4.660 0.004 0.000 0.336 188 W C -1.134 175.484 176.519 0.165 0.000 1.224 188 W CA -1.440 55.987 57.345 0.136 0.000 1.159 188 W CB 1.151 30.626 29.460 0.025 0.000 1.454 188 W HN 0.446 nan 8.180 nan 0.000 0.569 189 L N 2.891 124.265 121.223 0.251 0.000 2.329 189 L HA 0.727 5.069 4.340 0.003 0.000 0.279 189 L C 0.460 177.252 176.870 -0.129 0.000 1.014 189 L CA -0.805 54.018 54.840 -0.029 0.000 0.814 189 L CB 1.920 43.911 42.059 -0.113 0.000 1.257 189 L HN 0.682 nan 8.230 nan 0.000 0.424 190 T N -1.569 112.836 114.554 -0.249 0.000 2.949 190 T HA 0.649 5.001 4.350 0.003 0.000 0.287 190 T C -0.557 173.832 174.700 -0.517 0.000 1.034 190 T CA -0.507 61.474 62.100 -0.198 0.000 1.018 190 T CB 1.457 70.371 68.868 0.076 0.000 1.135 190 T HN 0.224 nan 8.240 nan 0.000 0.532 191 F N 1.109 121.213 119.950 0.256 0.000 2.531 191 F HA 0.404 4.933 4.527 0.003 0.000 0.333 191 F C -2.530 173.505 175.800 0.391 0.000 1.292 191 F CA -2.371 55.857 58.000 0.380 0.000 1.184 191 F CB 0.822 39.948 39.000 0.210 0.000 1.426 191 F HN 0.316 nan 8.300 nan 0.000 0.559 192 P HA 0.206 nan 4.420 nan 0.000 0.267 192 P C 1.016 178.467 177.300 0.250 0.000 1.205 192 P CA 0.896 64.115 63.100 0.199 0.000 0.765 192 P CB 1.006 32.738 31.700 0.053 0.000 0.828 193 G N 2.227 111.146 108.800 0.200 0.000 2.253 193 G HA2 -0.275 3.687 3.960 0.003 0.000 0.251 193 G HA3 -0.275 3.687 3.960 0.003 0.000 0.251 193 G C 0.423 175.452 174.900 0.214 0.000 0.998 193 G CA -0.071 45.137 45.100 0.181 0.000 0.621 193 G HN 0.707 nan 8.290 nan 0.000 0.524 194 R N 1.692 122.361 120.500 0.283 0.000 2.205 194 R HA 0.725 5.067 4.340 0.003 0.000 0.342 194 R C 0.687 177.024 176.300 0.062 0.000 1.058 194 R CA 0.377 56.559 56.100 0.136 0.000 0.904 194 R CB 0.048 30.331 30.300 -0.028 0.000 1.089 194 R HN 0.841 nan 8.270 nan 0.000 0.471 195 A N 4.362 127.201 122.820 0.031 0.000 2.425 195 A HA 0.215 4.537 4.320 0.003 0.000 0.242 195 A C -0.313 177.242 177.584 -0.049 0.000 1.077 195 A CA -0.447 51.594 52.037 0.006 0.000 0.781 195 A CB 0.080 19.084 19.000 0.005 0.000 1.020 195 A HN 0.850 nan 8.150 nan 0.000 0.494 196 N N 1.069 119.740 118.700 -0.049 0.000 2.407 196 N HA 0.036 4.778 4.740 0.003 0.000 0.250 196 N C 0.059 175.512 175.510 -0.095 0.000 1.236 196 N CA 0.436 53.427 53.050 -0.098 0.000 0.879 196 N CB 0.209 38.661 38.487 -0.058 0.000 1.088 196 N HN 0.551 nan 8.380 nan 0.000 0.450 197 R N 1.998 122.417 120.500 -0.134 0.000 2.522 197 R HA 0.101 4.443 4.340 0.003 0.000 0.284 197 R C -1.871 174.385 176.300 -0.074 0.000 1.032 197 R CA -0.927 55.110 56.100 -0.105 0.000 1.049 197 R CB -0.216 30.008 30.300 -0.127 0.000 0.956 197 R HN 0.363 nan 8.270 nan 0.000 0.422 198 P HA -0.104 nan 4.420 nan 0.000 0.265 198 P C -0.493 176.783 177.300 -0.040 0.000 1.187 198 P CA 0.081 63.158 63.100 -0.038 0.000 0.766 198 P CB 0.481 32.163 31.700 -0.029 0.000 0.820 199 E N 2.089 122.270 120.200 -0.032 0.000 2.452 199 E HA 0.238 4.590 4.350 0.003 0.000 0.261 199 E C 1.163 177.746 176.600 -0.030 0.000 0.987 199 E CA 1.387 57.768 56.400 -0.031 0.000 0.926 199 E CB -0.559 29.126 29.700 -0.025 0.000 0.934 199 E HN 0.699 nan 8.360 nan 0.000 0.452 200 G N 2.571 111.351 108.800 -0.032 0.000 2.221 200 G HA2 -0.186 3.776 3.960 0.003 0.000 0.265 200 G HA3 -0.186 3.776 3.960 0.003 0.000 0.265 200 G C 0.229 175.113 174.900 -0.026 0.000 1.041 200 G CA 0.240 45.324 45.100 -0.028 0.000 0.807 200 G HN 0.806 nan 8.290 nan 0.000 0.502 201 A N 0.332 123.133 122.820 -0.032 0.000 2.302 201 A HA 0.803 5.125 4.320 0.003 0.000 0.285 201 A C -1.020 176.547 177.584 -0.028 0.000 1.105 201 A CA -1.011 51.008 52.037 -0.031 0.000 0.816 201 A CB 0.493 19.468 19.000 -0.041 0.000 1.067 201 A HN 0.330 nan 8.150 nan 0.000 0.489 202 P HA 0.216 nan 4.420 nan 0.000 0.264 202 P C -2.473 174.815 177.300 -0.021 0.000 1.193 202 P CA -0.628 62.462 63.100 -0.017 0.000 0.763 202 P CB -0.457 31.235 31.700 -0.013 0.000 0.810 203 P HA -0.028 nan 4.420 nan 0.000 0.269 203 P C -0.390 176.903 177.300 -0.012 0.000 1.211 203 P CA 0.005 63.096 63.100 -0.015 0.000 0.781 203 P CB 0.154 31.853 31.700 -0.002 0.000 0.877 204 V N 0.476 120.381 119.914 -0.015 0.000 2.470 204 V HA 0.354 4.476 4.120 0.003 0.000 0.276 204 V C 0.839 176.939 176.094 0.010 0.000 1.040 204 V CA -0.565 61.728 62.300 -0.012 0.000 1.008 204 V CB -0.092 31.713 31.823 -0.031 0.000 0.990 204 V HN 0.692 nan 8.190 nan 0.000 0.477 205 A N 5.912 128.742 122.820 0.017 0.000 2.260 205 A HA 0.643 4.965 4.320 0.003 0.000 0.312 205 A C -0.513 177.108 177.584 0.062 0.000 1.321 205 A CA -0.487 51.571 52.037 0.034 0.000 0.928 205 A CB 0.395 19.412 19.000 0.028 0.000 1.158 205 A HN 0.833 nan 8.150 nan 0.000 0.542 206 L N 3.760 125.034 121.223 0.085 0.000 2.410 206 L HA 0.097 4.439 4.340 0.003 0.000 0.273 206 L C 0.926 177.925 176.870 0.214 0.000 1.144 206 L CA 0.179 55.102 54.840 0.139 0.000 0.863 206 L CB 0.037 42.172 42.059 0.127 0.000 1.140 206 L HN 0.760 nan 8.230 nan 0.000 0.463 207 H N 6.980 126.097 119.070 0.079 0.000 3.140 207 H HA -0.034 4.524 4.556 0.003 0.000 0.316 207 H C -1.750 173.525 175.328 -0.089 0.000 0.986 207 H CA -0.535 55.523 56.048 0.015 0.000 1.397 207 H CB 1.037 30.797 29.762 -0.004 0.000 1.377 207 H HN 0.537 nan 8.280 nan 0.000 0.585 208 P HA -0.178 nan 4.420 nan 0.000 0.217 208 P C 1.534 178.557 177.300 -0.461 0.000 1.148 208 P CA 1.998 64.568 63.100 -0.884 0.000 0.828 208 P CB 0.079 31.433 31.700 -0.577 0.000 0.783 209 S N -1.098 114.627 115.700 0.043 0.000 2.447 209 S HA -0.067 4.405 4.470 0.003 0.000 0.233 209 S C 1.674 176.322 174.600 0.081 0.000 1.006 209 S CA 0.910 59.164 58.200 0.091 0.000 0.957 209 S CB -1.373 61.917 63.200 0.150 0.000 0.773 209 S HN 0.129 nan 8.310 nan 0.000 0.507 210 L N 0.569 121.869 121.223 0.129 0.000 2.592 210 L HA 0.236 4.578 4.340 0.003 0.000 0.227 210 L C 0.537 177.550 176.870 0.239 0.000 1.127 210 L CA -0.126 54.808 54.840 0.156 0.000 0.884 210 L CB -0.530 41.619 42.059 0.150 0.000 1.065 210 L HN 0.374 nan 8.230 nan 0.000 0.457 211 H N 0.308 119.427 119.070 0.081 0.000 3.064 211 H HA -0.094 4.464 4.556 0.004 0.000 0.329 211 H C -0.056 175.343 175.328 0.119 0.000 1.020 211 H CA -0.750 55.347 56.048 0.082 0.000 1.402 211 H CB 0.458 30.249 29.762 0.048 0.000 1.379 211 H HN -0.051 nan 8.280 nan 0.000 0.594 212 F N 3.675 123.681 119.950 0.093 0.000 2.612 212 F HA -0.056 4.473 4.527 0.004 0.000 0.389 212 F C 0.244 176.071 175.800 0.044 0.000 1.055 212 F CA -0.025 58.008 58.000 0.055 0.000 1.232 212 F CB 0.127 39.127 39.000 -0.001 0.000 1.044 212 F HN 0.385 nan 8.300 nan 0.000 0.560 213 K N 4.936 124.993 120.400 -0.572 0.000 2.258 213 K HA 0.071 4.393 4.320 0.003 0.000 0.284 213 K C -0.255 175.821 176.600 -0.873 0.000 1.051 213 K CA -0.606 55.372 56.287 -0.516 0.000 0.923 213 K CB 0.803 33.127 32.500 -0.292 0.000 1.046 213 K HN 0.582 nan 8.250 nan 0.000 0.474 214 E N 5.154 125.083 120.200 -0.453 0.000 2.820 214 E HA -0.066 4.286 4.350 0.003 0.000 0.251 214 E C -2.047 174.389 176.600 -0.273 0.000 0.944 214 E CA -0.713 55.508 56.400 -0.298 0.000 0.955 214 E CB 0.264 29.894 29.700 -0.117 0.000 0.904 214 E HN 0.216 nan 8.360 nan 0.000 0.513 215 P HA 0.279 nan 4.420 nan 0.000 0.276 215 P C -2.508 174.777 177.300 -0.025 0.000 1.252 215 P CA -1.351 61.682 63.100 -0.110 0.000 0.802 215 P CB 0.028 31.721 31.700 -0.013 0.000 1.035 216 P HA 0.235 nan 4.420 nan 0.000 0.276 216 P C -0.187 177.165 177.300 0.086 0.000 1.244 216 P CA -0.395 62.741 63.100 0.060 0.000 0.801 216 P CB 0.746 32.504 31.700 0.096 0.000 1.006 217 K N 1.687 122.155 120.400 0.112 0.000 2.485 217 K HA 0.084 4.407 4.320 0.003 0.000 0.277 217 K C -2.025 174.688 176.600 0.189 0.000 0.990 217 K CA -0.935 55.439 56.287 0.146 0.000 0.994 217 K CB -0.564 32.033 32.500 0.161 0.000 0.906 217 K HN 0.362 nan 8.250 nan 0.000 0.488 218 P HA -0.042 nan 4.420 nan 0.000 0.266 218 P C -1.395 176.132 177.300 0.380 0.000 1.195 218 P CA 0.418 63.644 63.100 0.209 0.000 0.768 218 P CB 0.188 32.040 31.700 0.253 0.000 0.838 219 Y N 1.450 121.867 120.300 0.196 0.000 2.581 219 Y HA 0.824 5.377 4.550 0.004 0.000 0.345 219 Y C -1.717 174.075 175.900 -0.179 0.000 1.036 219 Y CA -1.774 56.426 58.100 0.166 0.000 1.042 219 Y CB 1.453 39.987 38.460 0.123 0.000 1.289 219 Y HN 0.171 nan 8.280 nan 0.000 0.471 220 L N 3.855 125.158 121.223 0.134 0.000 2.504 220 L HA 0.591 4.933 4.340 0.003 0.000 0.265 220 L C -2.151 174.839 176.870 0.199 0.000 0.975 220 L CA -0.500 54.242 54.840 -0.163 0.000 0.864 220 L CB 1.476 43.144 42.059 -0.651 0.000 1.212 220 L HN 0.818 nan 8.230 nan 0.000 0.416 221 L N 4.575 125.920 121.223 0.202 0.000 2.356 221 L HA 0.579 4.921 4.340 0.003 0.000 0.277 221 L C 0.028 176.811 176.870 -0.144 0.000 0.996 221 L CA -0.725 54.153 54.840 0.062 0.000 0.822 221 L CB 1.997 44.032 42.059 -0.039 0.000 1.256 221 L HN 0.582 nan 8.230 nan 0.000 0.413 222 R N 3.272 123.589 120.500 -0.304 0.000 2.401 222 R HA 0.269 4.611 4.340 0.003 0.000 0.299 222 R C -0.780 175.206 176.300 -0.523 0.000 1.064 222 R CA -0.329 55.312 56.100 -0.764 0.000 1.000 222 R CB 0.423 30.295 30.300 -0.713 0.000 0.973 222 R HN 0.439 nan 8.270 nan 0.000 0.438 223 R N 3.107 123.206 120.500 -0.668 0.000 2.562 223 R HA 0.291 4.633 4.340 0.003 0.000 0.298 223 R C -0.947 175.195 176.300 -0.264 0.000 0.961 223 R CA -1.071 54.728 56.100 -0.501 0.000 0.881 223 R CB 1.636 31.411 30.300 -0.875 0.000 1.159 223 R HN 0.723 nan 8.270 nan 0.000 0.450 224 N N 1.460 120.123 118.700 -0.061 0.000 2.372 224 N HA 0.487 5.229 4.740 0.003 0.000 0.291 224 N C -1.264 174.383 175.510 0.228 0.000 1.024 224 N CA -0.396 52.700 53.050 0.075 0.000 0.873 224 N CB 1.487 39.985 38.487 0.020 0.000 1.206 224 N HN 0.339 nan 8.380 nan 0.000 0.486 225 F N 2.174 122.189 119.950 0.108 0.000 2.588 225 F HA 0.577 5.106 4.527 0.004 0.000 0.310 225 F C -1.973 173.862 175.800 0.059 0.000 1.082 225 F CA -0.970 57.101 58.000 0.118 0.000 0.929 225 F CB 1.275 40.417 39.000 0.238 0.000 1.254 225 F HN 0.249 nan 8.300 nan 0.000 0.455 226 L N 6.963 127.700 121.223 -0.810 0.000 2.345 226 L HA 0.485 4.827 4.340 0.003 0.000 0.274 226 L C -2.215 174.064 176.870 -0.985 0.000 0.999 226 L CA -1.541 52.904 54.840 -0.657 0.000 0.849 226 L CB 1.346 43.212 42.059 -0.322 0.000 1.220 226 L HN 0.540 nan 8.230 nan 0.000 0.422 235 L N 2.939 123.821 121.223 -0.569 0.000 2.325 235 L HA 0.413 4.755 4.340 0.003 0.000 0.278 235 L C -0.172 176.553 176.870 -0.241 0.000 1.023 235 L CA -0.499 54.086 54.840 -0.424 0.000 0.811 235 L CB 1.549 43.224 42.059 -0.640 0.000 1.249 235 L HN -0.290 nan 8.230 nan 0.000 0.431 236 D N 2.943 123.252 120.400 -0.150 0.000 2.352 236 D HA 0.119 4.761 4.640 0.003 0.000 0.245 236 D C 0.831 177.069 176.300 -0.103 0.000 1.224 236 D CA -0.163 53.775 54.000 -0.102 0.000 0.879 236 D CB 0.956 41.716 40.800 -0.067 0.000 1.057 236 D HN 0.324 nan 8.370 nan 0.000 0.491 237 M N 2.464 122.005 119.600 -0.097 0.000 2.630 237 M HA -0.052 4.430 4.480 0.003 0.000 0.254 237 M C 0.455 176.719 176.300 -0.060 0.000 1.092 237 M CA 0.497 55.749 55.300 -0.081 0.000 1.087 237 M CB -0.392 32.164 32.600 -0.074 0.000 1.453 237 M HN 0.279 nan 8.290 nan 0.000 0.509 238 N N 1.180 119.847 118.700 -0.055 0.000 2.362 238 N HA 0.007 4.749 4.740 0.003 0.000 0.204 238 N C -0.175 175.305 175.510 -0.050 0.000 1.166 238 N CA 0.131 53.153 53.050 -0.047 0.000 0.831 238 N CB -0.259 38.204 38.487 -0.040 0.000 1.008 238 N HN 0.229 nan 8.380 nan 0.000 0.472 239 N N 0.375 119.041 118.700 -0.056 0.000 2.483 239 N HA 0.325 5.067 4.740 0.003 0.000 0.267 239 N C -2.082 173.396 175.510 -0.054 0.000 0.998 239 N CA -2.041 50.975 53.050 -0.056 0.000 0.918 239 N CB 2.005 40.457 38.487 -0.058 0.000 1.215 239 N HN -0.228 nan 8.380 nan 0.000 0.500 240 P HA -0.230 nan 4.420 nan 0.000 0.217 240 P C 0.946 178.240 177.300 -0.009 0.000 1.162 240 P CA 2.263 65.344 63.100 -0.031 0.000 0.901 240 P CB 0.128 31.804 31.700 -0.040 0.000 0.793 241 A N -0.032 122.783 122.820 -0.008 0.000 1.894 241 A HA -0.340 3.982 4.320 0.003 0.000 0.220 241 A C 2.126 179.660 177.584 -0.084 0.000 1.237 241 A CA 2.620 54.659 52.037 0.004 0.000 0.660 241 A CB -1.550 17.440 19.000 -0.017 0.000 0.835 241 A HN 0.289 nan 8.150 nan 0.000 0.461 242 E N -1.534 118.597 120.200 -0.115 0.000 2.216 242 E HA -0.112 4.240 4.350 0.003 0.000 0.192 242 E C 2.311 178.871 176.600 -0.067 0.000 0.988 242 E CA 0.456 56.772 56.400 -0.139 0.000 0.834 242 E CB -0.152 29.446 29.700 -0.171 0.000 0.772 242 E HN 0.474 nan 8.360 nan 0.000 0.479 243 R N 1.246 121.713 120.500 -0.054 0.000 2.073 243 R HA -0.109 4.233 4.340 0.003 0.000 0.234 243 R C 2.187 178.480 176.300 -0.011 0.000 1.134 243 R CA 1.092 57.169 56.100 -0.038 0.000 0.952 243 R CB -0.417 29.862 30.300 -0.035 0.000 0.850 243 R HN 0.241 nan 8.270 nan 0.000 0.433 244 L N -0.078 121.160 121.223 0.026 0.000 2.201 244 L HA -0.158 4.184 4.340 0.003 0.000 0.212 244 L C 2.349 179.260 176.870 0.068 0.000 1.105 244 L CA 0.929 55.822 54.840 0.090 0.000 0.775 244 L CB -0.369 41.824 42.059 0.223 0.000 0.913 244 L HN 0.166 nan 8.230 nan 0.000 0.440 245 F N -0.436 119.364 119.950 -0.251 0.000 2.293 245 F HA -0.114 4.415 4.527 0.004 0.000 0.297 245 F C 2.078 177.825 175.800 -0.089 0.000 1.089 245 F CA 1.039 58.804 58.000 -0.391 0.000 1.377 245 F CB 0.027 38.654 39.000 -0.620 0.000 1.051 245 F HN -0.256 nan 8.300 nan 0.000 0.511 246 V N 0.365 120.268 119.914 -0.017 0.000 2.323 246 V HA -0.256 3.866 4.120 0.003 0.000 0.244 246 V C 2.328 178.362 176.094 -0.099 0.000 1.041 246 V CA 2.091 64.360 62.300 -0.052 0.000 1.025 246 V CB -0.797 31.000 31.823 -0.045 0.000 0.656 246 V HN 0.372 nan 8.190 nan 0.000 0.451 247 E N 0.227 120.373 120.200 -0.089 0.000 2.097 247 E HA -0.338 4.014 4.350 0.003 0.000 0.196 247 E C 2.161 178.660 176.600 -0.168 0.000 1.000 247 E CA 1.889 58.233 56.400 -0.093 0.000 0.804 247 E CB -0.029 29.634 29.700 -0.061 0.000 0.740 247 E HN 0.628 nan 8.360 nan 0.000 0.454 248 E N -0.140 119.884 120.200 -0.292 0.000 2.047 248 E HA -0.116 4.236 4.350 0.003 0.000 0.191 248 E C 0.047 176.230 176.600 -0.694 0.000 0.987 248 E CA 1.100 57.173 56.400 -0.545 0.000 0.799 248 E CB -0.094 29.141 29.700 -0.775 0.000 0.752 248 E HN 0.259 nan 8.360 nan 0.000 0.449 249 F N 0.969 120.767 119.950 -0.254 0.000 2.461 249 F HA 0.437 4.966 4.527 0.003 0.000 0.321 249 F C 1.126 176.856 175.800 -0.117 0.000 1.203 249 F CA -0.416 57.461 58.000 -0.205 0.000 1.238 249 F CB 0.463 39.253 39.000 -0.349 0.000 1.528 249 F HN 0.122 nan 8.300 nan 0.000 0.554 264 S N 2.022 117.861 115.700 0.233 0.000 2.648 264 S HA 1.071 5.543 4.470 0.003 0.000 0.305 264 S C -0.977 173.742 174.600 0.198 0.000 1.094 264 S CA 0.145 58.428 58.200 0.139 0.000 0.983 264 S CB 1.766 64.896 63.200 -0.117 0.000 1.101 264 S HN 2.308 nan 8.310 nan 0.000 0.514 265 Y N -0.785 119.427 120.300 -0.146 0.000 2.925 265 Y HA 0.607 5.159 4.550 0.003 0.000 0.349 265 Y C -2.498 173.253 175.900 -0.248 0.000 1.342 265 Y CA -1.511 56.510 58.100 -0.131 0.000 1.093 265 Y CB 0.366 38.854 38.460 0.047 0.000 1.571 265 Y HN 0.561 nan 8.280 nan 0.000 0.438 266 Y N 1.054 121.270 120.300 -0.140 0.000 2.364 266 Y HA 0.486 5.039 4.550 0.004 0.000 0.340 266 Y C -0.277 175.570 175.900 -0.088 0.000 0.975 266 Y CA -0.814 57.157 58.100 -0.216 0.000 1.089 266 Y CB 2.165 40.543 38.460 -0.137 0.000 1.192 266 Y HN 0.649 nan 8.280 nan 0.000 0.454 267 E N 2.594 122.788 120.200 -0.009 0.000 2.158 267 E HA 0.483 4.836 4.350 0.003 0.000 0.271 267 E C -1.120 175.552 176.600 0.119 0.000 0.911 267 E CA -0.534 55.942 56.400 0.126 0.000 0.767 267 E CB 1.016 30.795 29.700 0.132 0.000 1.120 267 E HN 0.677 nan 8.360 nan 0.000 0.405 268 S N 3.303 118.993 115.700 -0.017 0.000 2.621 268 S HA 0.455 4.927 4.470 0.003 0.000 0.302 268 S C 0.026 174.412 174.600 -0.356 0.000 1.093 268 S CA -1.077 56.939 58.200 -0.308 0.000 1.017 268 S CB 1.201 64.215 63.200 -0.310 0.000 1.077 268 S HN 0.629 nan 8.310 nan 0.000 0.517 269 N N 0.187 118.418 118.700 -0.783 0.000 2.364 269 N HA 0.126 4.868 4.740 0.003 0.000 0.264 269 N C 0.593 176.096 175.510 -0.011 0.000 1.263 269 N CA -0.317 52.503 53.050 -0.384 0.000 0.959 269 N CB -0.465 37.732 38.487 -0.483 0.000 1.204 269 N HN 0.875 nan 8.380 nan 0.000 0.550 270 H N -1.060 118.015 119.070 0.008 0.000 2.389 270 H HA -0.045 4.513 4.556 0.003 0.000 0.299 270 H C 1.390 176.798 175.328 0.132 0.000 1.081 270 H CA 1.917 58.034 56.048 0.115 0.000 1.345 270 H CB 0.081 29.922 29.762 0.132 0.000 1.393 270 H HN 0.756 nan 8.280 nan 0.000 0.520 271 E N -0.393 119.829 120.200 0.037 0.000 2.153 271 E HA -0.158 4.194 4.350 0.003 0.000 0.194 271 E C 1.930 178.466 176.600 -0.107 0.000 0.988 271 E CA 1.127 57.501 56.400 -0.044 0.000 0.811 271 E CB -0.578 29.133 29.700 0.018 0.000 0.746 271 E HN 0.558 nan 8.360 nan 0.000 0.466 272 F N -0.188 119.632 119.950 -0.218 0.000 2.146 272 F HA -0.135 4.394 4.527 0.004 0.000 0.298 272 F C 2.317 177.976 175.800 -0.235 0.000 1.096 272 F CA 2.017 59.840 58.000 -0.294 0.000 1.275 272 F CB -0.486 38.285 39.000 -0.381 0.000 1.008 272 F HN 0.190 nan 8.300 nan 0.000 0.480 273 H N 0.407 119.397 119.070 -0.133 0.000 2.353 273 H HA -0.142 4.417 4.556 0.004 0.000 0.300 273 H C 2.115 177.275 175.328 -0.279 0.000 1.090 273 H CA 2.479 58.443 56.048 -0.140 0.000 1.327 273 H CB -0.493 29.310 29.762 0.068 0.000 1.383 273 H HN 0.365 nan 8.280 nan 0.000 0.508 274 L N -0.236 120.747 121.223 -0.400 0.000 2.046 274 L HA -0.180 4.162 4.340 0.003 0.000 0.208 274 L C 2.805 179.364 176.870 -0.518 0.000 1.077 274 L CA 1.706 56.297 54.840 -0.415 0.000 0.747 274 L CB -0.425 41.476 42.059 -0.263 0.000 0.896 274 L HN 0.273 nan 8.230 nan 0.000 0.432 275 R N -0.579 119.566 120.500 -0.591 0.000 2.105 275 R HA -0.182 4.160 4.340 0.003 0.000 0.239 275 R C 2.406 178.098 176.300 -1.013 0.000 1.135 275 R CA 1.938 57.532 56.100 -0.842 0.000 0.967 275 R CB -0.372 29.427 30.300 -0.834 0.000 0.861 275 R HN 0.390 nan 8.270 nan 0.000 0.442 276 C N -0.595 118.121 119.300 -0.974 0.000 2.453 276 C HA -0.017 4.445 4.460 0.003 0.000 0.277 276 C C 2.604 176.796 174.990 -1.330 0.000 1.262 276 C CA 0.459 58.881 59.018 -0.993 0.000 1.718 276 C CB -0.579 26.746 27.740 -0.692 0.000 2.031 276 C HN 0.375 nan 8.230 nan 0.000 0.480 277 V N 1.696 120.950 119.914 -1.099 0.000 2.252 277 V HA -0.276 3.847 4.120 0.003 0.000 0.249 277 V C 2.739 178.461 176.094 -0.620 0.000 1.056 277 V CA 2.479 64.261 62.300 -0.864 0.000 1.022 277 V CB -1.424 30.147 31.823 -0.421 0.000 0.641 277 V HN 0.609 nan 8.190 nan 0.000 0.445 278 A N -1.038 121.485 122.820 -0.495 0.000 1.865 278 A HA -0.225 4.097 4.320 0.003 0.000 0.217 278 A C 2.155 179.686 177.584 -0.088 0.000 1.191 278 A CA 2.042 53.916 52.037 -0.272 0.000 0.623 278 A CB -0.807 18.064 19.000 -0.215 0.000 0.826 278 A HN 0.542 nan 8.150 nan 0.000 0.444 279 Y N 0.193 120.268 120.300 -0.375 0.000 2.200 279 Y HA -0.057 4.495 4.550 0.003 0.000 0.290 279 Y C 2.824 178.512 175.900 -0.353 0.000 1.137 279 Y CA 0.278 58.213 58.100 -0.274 0.000 1.163 279 Y CB -1.490 36.733 38.460 -0.396 0.000 0.988 279 Y HN 0.305 nan 8.280 nan 0.000 0.518 280 G N -0.236 108.375 108.800 -0.315 0.000 2.480 280 G HA2 -0.323 3.639 3.960 0.003 0.000 0.216 280 G HA3 -0.323 3.639 3.960 0.003 0.000 0.216 280 G C 1.820 176.751 174.900 0.051 0.000 1.200 280 G CA 2.361 47.329 45.100 -0.220 0.000 0.782 280 G HN 0.454 nan 8.290 nan 0.000 0.554 281 T N -1.148 113.430 114.554 0.039 0.000 2.746 281 T HA -0.140 4.212 4.350 0.003 0.000 0.267 281 T C 2.288 177.067 174.700 0.132 0.000 1.039 281 T CA 1.811 64.000 62.100 0.148 0.000 1.142 281 T CB -0.394 68.501 68.868 0.046 0.000 0.866 281 T HN 0.420 nan 8.240 nan 0.000 0.444 282 Q N 0.674 120.491 119.800 0.029 0.000 2.084 282 Q HA 0.115 4.457 4.340 0.003 0.000 0.202 282 Q C 2.485 178.435 176.000 -0.083 0.000 0.978 282 Q CA 1.375 57.178 55.803 0.001 0.000 0.844 282 Q CB -0.424 28.364 28.738 0.083 0.000 0.898 282 Q HN 0.502 nan 8.270 nan 0.000 0.426 283 L N -0.570 120.546 121.223 -0.179 0.000 2.056 283 L HA -0.217 4.125 4.340 0.003 0.000 0.207 283 L C 2.435 179.494 176.870 0.316 0.000 1.078 283 L CA 1.323 56.084 54.840 -0.131 0.000 0.749 283 L CB -0.453 41.342 42.059 -0.440 0.000 0.901 283 L HN 0.330 nan 8.230 nan 0.000 0.433 284 H N 0.181 119.429 119.070 0.297 0.000 2.319 284 H HA -0.215 4.343 4.556 0.003 0.000 0.297 284 H C 2.122 177.662 175.328 0.354 0.000 1.097 284 H CA 1.845 58.146 56.048 0.422 0.000 1.285 284 H CB 0.035 30.038 29.762 0.402 0.000 1.368 284 H HN 0.305 nan 8.280 nan 0.000 0.495 285 A N 0.385 123.342 122.820 0.229 0.000 1.902 285 A HA -0.101 4.221 4.320 0.003 0.000 0.217 285 A C 2.606 180.233 177.584 0.072 0.000 1.181 285 A CA 1.633 53.741 52.037 0.118 0.000 0.623 285 A CB -0.773 18.292 19.000 0.108 0.000 0.818 285 A HN 0.528 nan 8.150 nan 0.000 0.443 286 I N -1.975 118.619 120.570 0.041 0.000 2.252 286 I HA -0.229 3.943 4.170 0.003 0.000 0.245 286 I C 2.218 178.351 176.117 0.027 0.000 1.102 286 I CA 1.275 62.567 61.300 -0.015 0.000 1.385 286 I CB -0.318 37.583 38.000 -0.166 0.000 1.064 286 I HN 0.316 nan 8.210 nan 0.000 0.414 287 F N -0.122 119.865 119.950 0.062 0.000 2.186 287 F HA -0.198 4.331 4.527 0.003 0.000 0.299 287 F C 2.532 178.368 175.800 0.060 0.000 1.090 287 F CA 1.084 59.156 58.000 0.120 0.000 1.307 287 F CB -0.282 38.893 39.000 0.292 0.000 1.019 287 F HN -0.023 nan 8.300 nan 0.000 0.489 288 M N -0.264 119.443 119.600 0.179 0.000 2.132 288 M HA -0.199 4.283 4.480 0.003 0.000 0.263 288 M C 2.216 178.569 176.300 0.089 0.000 1.065 288 M CA 1.441 56.806 55.300 0.108 0.000 1.122 288 M CB -1.235 31.378 32.600 0.023 0.000 1.365 288 M HN 0.247 nan 8.290 nan 0.000 0.411 289 E N 0.308 120.553 120.200 0.074 0.000 2.051 289 E HA -0.163 4.189 4.350 0.003 0.000 0.192 289 E C 1.927 178.511 176.600 -0.026 0.000 0.991 289 E CA 1.472 57.901 56.400 0.049 0.000 0.799 289 E CB 0.111 29.861 29.700 0.083 0.000 0.748 289 E HN 0.438 nan 8.360 nan 0.000 0.449 290 A N 0.190 122.989 122.820 -0.035 0.000 2.015 290 A HA -0.114 4.208 4.320 0.003 0.000 0.219 290 A C 2.297 179.774 177.584 -0.178 0.000 1.163 290 A CA 1.711 53.699 52.037 -0.081 0.000 0.646 290 A CB -0.652 18.311 19.000 -0.063 0.000 0.806 290 A HN 0.311 nan 8.150 nan 0.000 0.448 291 T N 0.492 114.925 114.554 -0.202 0.000 2.708 291 T HA -0.048 4.304 4.350 0.003 0.000 0.266 291 T C 2.272 176.483 174.700 -0.815 0.000 1.037 291 T CA 1.582 63.414 62.100 -0.448 0.000 1.146 291 T CB -0.517 68.129 68.868 -0.371 0.000 0.865 291 T HN 0.600 nan 8.240 nan 0.000 0.435 292 A N 1.504 123.880 122.820 -0.741 0.000 1.917 292 A HA -0.254 4.068 4.320 0.003 0.000 0.219 292 A C 2.275 179.583 177.584 -0.461 0.000 1.182 292 A CA 1.919 53.563 52.037 -0.655 0.000 0.633 292 A CB -0.788 18.166 19.000 -0.078 0.000 0.819 292 A HN 0.583 nan 8.150 nan 0.000 0.448 293 Q N -0.715 118.894 119.800 -0.319 0.000 2.167 293 Q HA -0.090 4.253 4.340 0.003 0.000 0.202 293 Q C 2.123 177.934 176.000 -0.315 0.000 0.970 293 Q CA 1.523 57.180 55.803 -0.244 0.000 0.855 293 Q CB -0.281 28.366 28.738 -0.152 0.000 0.911 293 Q HN 0.553 nan 8.270 nan 0.000 0.438 294 V N 0.871 120.522 119.914 -0.439 0.000 2.283 294 V HA -0.235 3.887 4.120 0.003 0.000 0.243 294 V C 2.141 177.894 176.094 -0.567 0.000 1.039 294 V CA 1.215 63.175 62.300 -0.567 0.000 1.016 294 V CB -0.453 30.841 31.823 -0.881 0.000 0.650 294 V HN 0.383 nan 8.190 nan 0.000 0.449 295 I N 0.406 120.593 120.570 -0.638 0.000 2.315 295 I HA -0.250 3.923 4.170 0.003 0.000 0.251 295 I C 2.258 178.121 176.117 -0.423 0.000 1.125 295 I CA 1.819 62.764 61.300 -0.591 0.000 1.392 295 I CB -0.960 36.519 38.000 -0.869 0.000 1.065 295 I HN 0.464 nan 8.210 nan 0.000 0.424 296 E N 0.018 119.999 120.200 -0.364 0.000 2.489 296 E HA 0.000 4.352 4.350 0.003 0.000 0.193 296 E C 0.621 177.085 176.600 -0.226 0.000 1.057 296 E CA -0.071 56.187 56.400 -0.236 0.000 0.866 296 E CB 0.241 29.838 29.700 -0.172 0.000 0.916 296 E HN 0.178 nan 8.360 nan 0.000 0.500 297 S N 0.061 115.582 115.700 -0.298 0.000 2.605 297 S HA 0.128 4.600 4.470 0.003 0.000 0.308 297 S C 0.199 174.553 174.600 -0.410 0.000 1.113 297 S CA -0.866 57.169 58.200 -0.274 0.000 1.049 297 S CB 1.156 64.228 63.200 -0.214 0.000 1.001 297 S HN -0.091 nan 8.310 nan 0.000 0.480 298 D N 3.583 123.746 120.400 -0.395 0.000 2.117 298 D HA -0.104 4.538 4.640 0.003 0.000 0.197 298 D C 1.581 177.628 176.300 -0.421 0.000 0.987 298 D CA 1.335 54.950 54.000 -0.642 0.000 0.829 298 D CB 0.083 40.756 40.800 -0.211 0.000 0.961 298 D HN 0.788 nan 8.370 nan 0.000 0.460 299 E N 0.640 120.725 120.200 -0.192 0.000 2.058 299 E HA -0.177 4.175 4.350 0.003 0.000 0.194 299 E C 2.080 178.619 176.600 -0.103 0.000 0.997 299 E CA 0.840 57.184 56.400 -0.093 0.000 0.801 299 E CB 0.105 29.763 29.700 -0.069 0.000 0.746 299 E HN 0.141 nan 8.360 nan 0.000 0.450 300 K N 0.633 120.936 120.400 -0.162 0.000 2.057 300 K HA -0.091 4.231 4.320 0.003 0.000 0.206 300 K C 2.306 178.831 176.600 -0.124 0.000 1.050 300 K CA 0.742 56.961 56.287 -0.112 0.000 0.935 300 K CB -0.397 31.974 32.500 -0.214 0.000 0.715 300 K HN 0.186 nan 8.250 nan 0.000 0.439 301 L N 0.338 121.332 121.223 -0.380 0.000 2.131 301 L HA -0.130 4.213 4.340 0.003 0.000 0.210 301 L C 2.782 179.662 176.870 0.016 0.000 1.092 301 L CA 1.037 55.652 54.840 -0.375 0.000 0.759 301 L CB -0.326 41.152 42.059 -0.968 0.000 0.903 301 L HN 0.174 nan 8.230 nan 0.000 0.435 302 R N 0.253 120.799 120.500 0.076 0.000 2.066 302 R HA -0.173 4.169 4.340 0.003 0.000 0.232 302 R C 2.347 178.763 176.300 0.193 0.000 1.131 302 R CA 1.275 57.550 56.100 0.291 0.000 0.955 302 R CB -0.297 30.193 30.300 0.317 0.000 0.851 302 R HN 0.166 nan 8.270 nan 0.000 0.432 303 L N 0.318 121.623 121.223 0.136 0.000 2.129 303 L HA -0.163 4.179 4.340 0.003 0.000 0.212 303 L C 1.387 178.331 176.870 0.124 0.000 1.087 303 L CA 1.742 56.639 54.840 0.095 0.000 0.757 303 L CB -0.271 41.813 42.059 0.042 0.000 0.896 303 L HN 0.162 nan 8.230 nan 0.000 0.434 304 F N -0.217 119.737 119.950 0.007 0.000 2.804 304 F HA 0.271 4.801 4.527 0.004 0.000 0.303 304 F C 1.579 177.416 175.800 0.060 0.000 1.154 304 F CA 0.267 58.284 58.000 0.028 0.000 1.401 304 F CB -0.368 38.629 39.000 -0.005 0.000 1.106 304 F HN 0.182 nan 8.300 nan 0.000 0.568 305 A N 0.533 123.481 122.820 0.213 0.000 2.832 305 A HA -0.228 4.094 4.320 0.003 0.000 0.280 305 A C 0.194 177.914 177.584 0.228 0.000 1.464 305 A CA 0.260 52.405 52.037 0.181 0.000 0.804 305 A CB -2.621 16.446 19.000 0.112 0.000 1.020 305 A HN 0.175 nan 8.150 nan 0.000 0.563 306 I N 0.429 121.183 120.570 0.307 0.000 2.352 306 I HA 0.295 4.467 4.170 0.003 0.000 0.290 306 I C -2.178 174.237 176.117 0.497 0.000 1.036 306 I CA -2.544 58.977 61.300 0.368 0.000 1.336 306 I CB 0.421 38.631 38.000 0.350 0.000 1.407 306 I HN 0.015 nan 8.210 nan 0.000 0.497 307 P HA 0.105 nan 4.420 nan 0.000 0.271 307 P C 0.848 178.084 177.300 -0.107 0.000 1.220 307 P CA -0.164 63.075 63.100 0.233 0.000 0.768 307 P CB 0.709 32.647 31.700 0.397 0.000 0.848 308 E N 2.651 122.480 120.200 -0.618 0.000 2.284 308 E HA -0.304 4.048 4.350 0.003 0.000 0.200 308 E C 1.408 177.445 176.600 -0.938 0.000 1.008 308 E CA 1.159 56.560 56.400 -1.665 0.000 0.829 308 E CB 0.087 28.988 29.700 -1.331 0.000 0.744 308 E HN 0.541 nan 8.360 nan 0.000 0.491 309 E N -0.975 118.914 120.200 -0.519 0.000 2.204 309 E HA -0.152 4.200 4.350 0.003 0.000 0.194 309 E C 0.803 177.077 176.600 -0.542 0.000 0.989 309 E CA 0.808 56.914 56.400 -0.491 0.000 0.824 309 E CB 0.031 29.398 29.700 -0.555 0.000 0.756 309 E HN 0.301 nan 8.360 nan 0.000 0.477 310 F N -1.379 118.493 119.950 -0.130 0.000 2.695 310 F HA 0.135 4.664 4.527 0.003 0.000 0.303 310 F C 0.919 176.765 175.800 0.077 0.000 1.091 310 F CA -0.537 57.417 58.000 -0.077 0.000 1.300 310 F CB 0.039 38.972 39.000 -0.111 0.000 1.071 310 F HN 0.092 nan 8.300 nan 0.000 0.578 311 W N 1.464 122.799 121.300 0.058 0.000 2.333 311 W HA -0.092 4.570 4.660 0.003 0.000 0.316 311 W C -0.398 176.129 176.519 0.014 0.000 1.215 311 W CA 0.982 58.340 57.345 0.020 0.000 1.278 311 W CB -2.504 26.965 29.460 0.014 0.000 1.154 311 W HN 0.015 nan 8.180 nan 0.000 0.486 312 P HA -0.189 nan 4.420 nan 0.000 0.216 312 P C 1.747 179.103 177.300 0.094 0.000 1.150 312 P CA 2.438 65.690 63.100 0.254 0.000 0.843 312 P CB -0.242 31.662 31.700 0.339 0.000 0.787 313 R N -0.427 119.954 120.500 -0.198 0.000 2.075 313 R HA -0.063 4.279 4.340 0.003 0.000 0.232 313 R C 2.227 178.318 176.300 -0.349 0.000 1.126 313 R CA 1.190 56.805 56.100 -0.807 0.000 0.963 313 R CB -0.775 29.065 30.300 -0.766 0.000 0.858 313 R HN 0.161 nan 8.270 nan 0.000 0.435 314 I N 0.404 120.897 120.570 -0.127 0.000 2.406 314 I HA -0.184 3.988 4.170 0.003 0.000 0.249 314 I C 1.970 178.108 176.117 0.036 0.000 1.122 314 I CA 0.939 62.194 61.300 -0.075 0.000 1.431 314 I CB 0.028 37.993 38.000 -0.058 0.000 1.087 314 I HN 0.217 nan 8.210 nan 0.000 0.424 315 R N -0.643 119.895 120.500 0.064 0.000 2.092 315 R HA -0.232 4.110 4.340 0.003 0.000 0.231 315 R C 2.259 178.673 176.300 0.190 0.000 1.119 315 R CA 1.586 57.752 56.100 0.111 0.000 0.970 315 R CB -0.568 29.793 30.300 0.101 0.000 0.864 315 R HN 0.462 nan 8.270 nan 0.000 0.440 316 H N 0.268 119.403 119.070 0.109 0.000 2.293 316 H HA -0.033 4.524 4.556 0.003 0.000 0.300 316 H C 2.190 177.631 175.328 0.188 0.000 1.082 316 H CA 2.019 58.162 56.048 0.159 0.000 1.308 316 H CB -0.279 29.603 29.762 0.200 0.000 1.375 316 H HN -0.017 nan 8.280 nan 0.000 0.495 317 S N -0.054 115.686 115.700 0.066 0.000 2.372 317 S HA -0.239 4.233 4.470 0.003 0.000 0.227 317 S C 2.020 176.775 174.600 0.259 0.000 1.044 317 S CA 1.562 59.857 58.200 0.159 0.000 1.050 317 S CB -0.768 62.529 63.200 0.163 0.000 0.901 317 S HN 0.720 nan 8.310 nan 0.000 0.447 318 W N 1.527 122.807 121.300 -0.033 0.000 2.381 318 W HA -0.117 4.545 4.660 0.003 0.000 0.301 318 W C 1.813 178.177 176.519 -0.258 0.000 1.205 318 W CA 1.357 58.489 57.345 -0.355 0.000 1.285 318 W CB -0.271 28.953 29.460 -0.394 0.000 1.133 318 W HN 0.331 nan 8.180 nan 0.000 0.521 319 K N -0.890 119.417 120.400 -0.155 0.000 2.062 319 K HA -0.217 4.105 4.320 0.003 0.000 0.205 319 K C 1.993 178.491 176.600 -0.171 0.000 1.051 319 K CA 1.634 57.802 56.287 -0.198 0.000 0.941 319 K CB -0.820 31.668 32.500 -0.019 0.000 0.719 319 K HN 0.068 nan 8.250 nan 0.000 0.440 320 Y N 1.421 121.542 120.300 -0.299 0.000 2.184 320 Y HA -0.038 4.513 4.550 0.003 0.000 0.290 320 Y C 0.577 176.376 175.900 -0.168 0.000 1.129 320 Y CA 1.049 58.989 58.100 -0.267 0.000 1.144 320 Y CB 0.357 38.510 38.460 -0.512 0.000 0.995 320 Y HN -0.071 nan 8.280 nan 0.000 0.513 321 Q N 0.994 120.661 119.800 -0.221 0.000 2.454 321 Q HA 0.189 4.532 4.340 0.003 0.000 0.255 321 Q C -0.613 175.383 176.000 -0.006 0.000 1.034 321 Q CA -0.438 55.232 55.803 -0.222 0.000 0.736 321 Q CB 0.864 29.528 28.738 -0.124 0.000 1.210 321 Q HN 0.286 nan 8.270 nan 0.000 0.500 322 Q N 1.839 121.537 119.800 -0.170 0.000 2.211 322 Q HA 0.138 4.480 4.340 0.003 0.000 0.231 322 Q C -0.178 175.796 176.000 -0.044 0.000 0.865 322 Q CA 0.181 55.913 55.803 -0.118 0.000 0.997 322 Q CB 1.124 29.672 28.738 -0.316 0.000 1.101 322 Q HN 0.711 nan 8.270 nan 0.000 0.468 323 T N -1.962 112.514 114.554 -0.129 0.000 2.926 323 T HA 0.745 5.098 4.350 0.003 0.000 0.289 323 T C -0.653 174.121 174.700 0.123 0.000 1.054 323 T CA -0.713 61.044 62.100 -0.572 0.000 1.015 323 T CB 1.780 70.100 68.868 -0.914 0.000 1.167 323 T HN 0.170 nan 8.240 nan 0.000 0.526 324 Y N -0.778 119.618 120.300 0.159 0.000 2.527 324 Y HA 0.509 5.061 4.550 0.003 0.000 0.328 324 Y C -0.735 175.323 175.900 0.264 0.000 1.216 324 Y CA -1.425 56.828 58.100 0.254 0.000 1.152 324 Y CB -0.129 38.434 38.460 0.172 0.000 1.342 324 Y HN 0.412 nan 8.280 nan 0.000 0.465 325 I N 1.582 122.287 120.570 0.224 0.000 2.729 325 I HA 0.127 4.299 4.170 0.003 0.000 0.256 325 I C 0.716 176.887 176.117 0.090 0.000 1.115 325 I CA 1.195 62.463 61.300 -0.053 0.000 1.446 325 I CB -0.062 37.756 38.000 -0.303 0.000 1.176 325 I HN 0.707 nan 8.210 nan 0.000 0.446 326 S N -0.315 115.509 115.700 0.207 0.000 2.556 326 S HA 0.823 5.295 4.470 0.003 0.000 0.271 326 S C -0.501 174.241 174.600 0.237 0.000 1.135 326 S CA -0.367 58.002 58.200 0.282 0.000 0.858 326 S CB 2.584 65.989 63.200 0.342 0.000 1.114 326 S HN 0.346 nan 8.310 nan 0.000 0.468 327 G N 0.773 109.720 108.800 0.245 0.000 2.732 327 G HA2 0.606 4.568 3.960 0.003 0.000 0.296 327 G HA3 0.606 4.568 3.960 0.003 0.000 0.296 327 G C -1.945 172.827 174.900 -0.213 0.000 1.448 327 G CA -0.858 44.195 45.100 -0.078 0.000 0.911 327 G HN 0.780 nan 8.290 nan 0.000 0.528 328 R N 1.271 121.448 120.500 -0.538 0.000 2.439 328 R HA 0.562 4.904 4.340 0.003 0.000 0.310 328 R C -1.047 174.903 176.300 -0.584 0.000 0.955 328 R CA -0.716 54.856 56.100 -0.880 0.000 0.853 328 R CB 0.956 30.456 30.300 -1.332 0.000 1.171 328 R HN 0.320 nan 8.270 nan 0.000 0.449 329 F N 1.979 121.613 119.950 -0.527 0.000 2.399 329 F HA 0.177 4.706 4.527 0.003 0.000 0.342 329 F C 0.628 175.920 175.800 -0.848 0.000 1.106 329 F CA 0.121 57.675 58.000 -0.743 0.000 1.196 329 F CB 0.840 39.157 39.000 -1.137 0.000 1.163 329 F HN 0.302 nan 8.300 nan 0.000 0.547 330 D N 3.573 123.616 120.400 -0.596 0.000 2.373 330 D HA 0.230 4.872 4.640 0.003 0.000 0.227 330 D C -0.781 175.009 176.300 -0.849 0.000 1.091 330 D CA -0.012 53.525 54.000 -0.771 0.000 0.840 330 D CB 0.701 40.910 40.800 -0.984 0.000 1.060 330 D HN 0.051 nan 8.370 nan 0.000 0.502 331 F N 1.076 120.882 119.950 -0.240 0.000 2.480 331 F HA 0.567 5.096 4.527 0.003 0.000 0.329 331 F C 0.632 176.648 175.800 0.360 0.000 1.091 331 F CA -1.536 56.474 58.000 0.018 0.000 0.972 331 F CB 1.490 40.542 39.000 0.087 0.000 1.150 331 F HN 0.181 nan 8.300 nan 0.000 0.467 332 A N 3.414 126.666 122.820 0.720 0.000 2.317 332 A HA 0.704 5.026 4.320 0.003 0.000 0.327 332 A C -1.650 176.299 177.584 0.609 0.000 1.178 332 A CA -0.450 51.991 52.037 0.674 0.000 0.817 332 A CB 0.560 20.004 19.000 0.741 0.000 1.189 332 A HN 0.592 nan 8.150 nan 0.000 0.489 333 F N 2.778 122.995 119.950 0.445 0.000 2.495 333 F HA 0.542 5.072 4.527 0.003 0.000 0.327 333 F C -0.337 175.698 175.800 0.391 0.000 1.103 333 F CA -0.983 57.257 58.000 0.399 0.000 0.949 333 F CB 1.696 40.928 39.000 0.387 0.000 1.142 333 F HN 0.525 nan 8.300 nan 0.000 0.457 334 N N 5.248 123.693 118.700 -0.426 0.000 2.501 334 N HA 0.181 4.923 4.740 0.003 0.000 0.245 334 N C 0.410 175.411 175.510 -0.850 0.000 0.974 334 N CA -0.076 52.720 53.050 -0.424 0.000 0.941 334 N CB 0.382 38.806 38.487 -0.103 0.000 1.122 334 N HN 0.723 nan 8.380 nan 0.000 0.507 335 N N 2.087 120.461 118.700 -0.543 0.000 2.205 335 N HA -0.176 4.566 4.740 0.003 0.000 0.186 335 N C 0.994 176.450 175.510 -0.089 0.000 1.015 335 N CA 0.907 53.836 53.050 -0.201 0.000 0.862 335 N CB 0.320 38.865 38.487 0.097 0.000 0.986 335 N HN 0.718 nan 8.380 nan 0.000 0.429 336 E N -0.063 120.076 120.200 -0.101 0.000 2.072 336 E HA -0.102 4.250 4.350 0.003 0.000 0.190 336 E C 1.540 178.121 176.600 -0.032 0.000 0.982 336 E CA 1.438 57.811 56.400 -0.045 0.000 0.803 336 E CB 0.149 29.821 29.700 -0.048 0.000 0.755 336 E HN 0.411 nan 8.360 nan 0.000 0.453 337 T N -3.882 110.638 114.554 -0.057 0.000 3.044 337 T HA 0.250 4.602 4.350 0.003 0.000 0.250 337 T C 1.473 176.177 174.700 0.006 0.000 1.081 337 T CA 0.555 62.651 62.100 -0.007 0.000 1.040 337 T CB 0.626 69.509 68.868 0.026 0.000 0.962 337 T HN 0.306 nan 8.240 nan 0.000 0.506 338 G N 1.395 110.154 108.800 -0.068 0.000 2.168 338 G HA2 -0.253 3.709 3.960 0.003 0.000 0.263 338 G HA3 -0.253 3.709 3.960 0.003 0.000 0.263 338 G C -0.232 174.735 174.900 0.112 0.000 0.977 338 G CA 0.168 45.298 45.100 0.051 0.000 0.659 338 G HN 0.663 nan 8.290 nan 0.000 0.533 339 E N -0.013 120.196 120.200 0.014 0.000 2.290 339 E HA 0.433 4.785 4.350 0.003 0.000 0.277 339 E C 0.123 176.832 176.600 0.181 0.000 1.035 339 E CA -0.432 56.048 56.400 0.133 0.000 0.873 339 E CB 1.670 31.491 29.700 0.202 0.000 1.029 339 E HN 0.117 nan 8.360 nan 0.000 0.419 340 V N 5.082 125.110 119.914 0.190 0.000 2.394 340 V HA 0.259 4.381 4.120 0.003 0.000 0.282 340 V C 0.021 176.040 176.094 -0.124 0.000 1.031 340 V CA -0.540 61.817 62.300 0.094 0.000 0.881 340 V CB 1.209 32.992 31.823 -0.067 0.000 0.982 340 V HN 0.521 nan 8.190 nan 0.000 0.451 341 K N 2.698 122.966 120.400 -0.220 0.000 2.397 341 K HA 0.428 4.751 4.320 0.003 0.000 0.253 341 K C -0.963 175.707 176.600 0.116 0.000 0.932 341 K CA -0.391 55.747 56.287 -0.248 0.000 0.795 341 K CB 2.054 34.088 32.500 -0.777 0.000 1.159 341 K HN 0.723 nan 8.250 nan 0.000 0.424 342 C N 4.926 124.329 119.300 0.172 0.000 2.325 342 C HA 0.450 4.912 4.460 0.003 0.000 0.347 342 C C 1.400 176.524 174.990 0.224 0.000 1.263 342 C CA -0.640 58.543 59.018 0.276 0.000 1.806 342 C CB -1.676 26.209 27.740 0.242 0.000 2.405 342 C HN 0.825 nan 8.230 nan 0.000 0.537 343 F N 2.737 122.792 119.950 0.175 0.000 2.622 343 F HA 0.377 4.906 4.527 0.004 0.000 0.288 343 F C 0.578 176.467 175.800 0.149 0.000 1.120 343 F CA -0.229 57.852 58.000 0.135 0.000 1.423 343 F CB -0.353 38.717 39.000 0.117 0.000 1.127 343 F HN 0.627 nan 8.300 nan 0.000 0.588 344 E N -0.987 119.166 120.200 -0.077 0.000 2.437 344 E HA 0.257 4.609 4.350 0.003 0.000 0.280 344 E C -2.089 174.494 176.600 -0.028 0.000 1.044 344 E CA -1.090 55.339 56.400 0.048 0.000 0.826 344 E CB 1.399 31.140 29.700 0.068 0.000 1.358 344 E HN -0.011 nan 8.360 nan 0.000 0.459 345 Y N 1.792 121.948 120.300 -0.239 0.000 2.345 345 Y HA 0.367 4.919 4.550 0.003 0.000 0.331 345 Y C -0.994 174.670 175.900 -0.393 0.000 0.959 345 Y CA -2.051 55.732 58.100 -0.528 0.000 1.204 345 Y CB 1.083 38.940 38.460 -1.005 0.000 1.135 345 Y HN 0.498 nan 8.280 nan 0.000 0.477 346 N N 5.347 123.891 118.700 -0.261 0.000 3.034 346 N HA 0.235 4.977 4.740 0.003 0.000 0.265 346 N C 0.518 175.761 175.510 -0.446 0.000 1.166 346 N CA 0.204 53.076 53.050 -0.297 0.000 1.081 346 N CB 1.179 39.536 38.487 -0.218 0.000 1.378 346 N HN 0.705 nan 8.380 nan 0.000 0.520 347 A N 0.019 122.462 122.820 -0.628 0.000 2.195 347 A HA -0.036 4.286 4.320 0.003 0.000 0.210 347 A C 1.661 179.009 177.584 -0.393 0.000 1.165 347 A CA 0.357 51.930 52.037 -0.774 0.000 0.806 347 A CB 0.236 18.506 19.000 -1.217 0.000 0.847 347 A HN 0.322 nan 8.150 nan 0.000 0.482 348 D N -0.438 119.811 120.400 -0.251 0.000 2.255 348 D HA 0.089 4.731 4.640 0.003 0.000 0.224 348 D C 0.322 176.552 176.300 -0.117 0.000 0.997 348 D CA 1.236 55.156 54.000 -0.135 0.000 0.906 348 D CB 0.225 41.002 40.800 -0.039 0.000 1.047 348 D HN 0.141 nan 8.370 nan 0.000 0.458 349 S N -1.120 114.522 115.700 -0.096 0.000 2.571 349 S HA 0.746 5.218 4.470 0.003 0.000 0.284 349 S C -1.503 173.087 174.600 -0.017 0.000 1.128 349 S CA -0.349 57.808 58.200 -0.072 0.000 0.970 349 S CB 1.298 64.435 63.200 -0.105 0.000 1.039 349 S HN 0.458 nan 8.310 nan 0.000 0.485 350 A N 2.632 125.502 122.820 0.083 0.000 2.515 350 A HA 0.787 5.109 4.320 0.003 0.000 0.298 350 A C -0.230 177.534 177.584 0.300 0.000 1.059 350 A CA -0.728 51.388 52.037 0.131 0.000 0.698 350 A CB 1.434 20.431 19.000 -0.004 0.000 1.289 350 A HN 1.089 nan 8.150 nan 0.000 0.404 351 S N 0.796 116.641 115.700 0.241 0.000 2.580 351 S HA 0.571 5.044 4.470 0.003 0.000 0.274 351 S C 0.743 175.631 174.600 0.480 0.000 1.329 351 S CA 0.670 59.046 58.200 0.293 0.000 1.036 351 S CB 0.888 64.218 63.200 0.217 0.000 0.919 351 S HN 2.539 nan 8.310 nan 0.000 0.515 352 T N -1.614 113.186 114.554 0.410 0.000 5.267 352 T HA -0.171 4.181 4.350 0.003 0.000 0.266 352 T C 0.386 175.198 174.700 0.186 0.000 2.220 352 T CA 0.394 62.696 62.100 0.337 0.000 3.808 352 T CB -2.132 67.027 68.868 0.485 0.000 0.168 352 T HN 0.717 nan 8.240 nan 0.000 1.062 353 L N 0.778 121.994 121.223 -0.011 0.000 2.027 353 L HA 0.388 4.730 4.340 0.003 0.000 0.206 353 L C 2.298 178.911 176.870 -0.427 0.000 1.074 353 L CA 2.349 56.845 54.840 -0.573 0.000 0.745 353 L CB -0.902 40.752 42.059 -0.675 0.000 0.898 353 L HN 0.557 nan 8.230 nan 0.000 0.433 354 L N -0.003 120.988 121.223 -0.387 0.000 2.046 354 L HA -0.192 4.150 4.340 0.003 0.000 0.208 354 L C 2.608 179.072 176.870 -0.677 0.000 1.077 354 L CA 1.925 56.308 54.840 -0.761 0.000 0.747 354 L CB -0.840 40.911 42.059 -0.513 0.000 0.896 354 L HN 0.511 nan 8.230 nan 0.000 0.432 355 E N -1.064 118.783 120.200 -0.588 0.000 2.077 355 E HA -0.217 4.135 4.350 0.003 0.000 0.193 355 E C 2.273 178.493 176.600 -0.633 0.000 0.989 355 E CA 1.732 57.639 56.400 -0.822 0.000 0.800 355 E CB -1.253 27.645 29.700 -1.337 0.000 0.746 355 E HN 0.578 nan 8.360 nan 0.000 0.452 356 C N 1.154 120.231 119.300 -0.371 0.000 2.476 356 C HA 0.080 4.542 4.460 0.003 0.000 0.278 356 C C 2.908 177.872 174.990 -0.043 0.000 1.274 356 C CA 0.893 59.936 59.018 0.042 0.000 1.713 356 C CB -1.310 26.556 27.740 0.210 0.000 2.039 356 C HN 0.658 nan 8.230 nan 0.000 0.484 357 G N -0.740 107.951 108.800 -0.182 0.000 2.464 357 G HA2 0.052 4.014 3.960 0.003 0.000 0.217 357 G HA3 0.052 4.014 3.960 0.003 0.000 0.217 357 G C 1.374 176.241 174.900 -0.054 0.000 1.138 357 G CA 1.090 46.147 45.100 -0.073 0.000 0.793 357 G HN 0.476 nan 8.290 nan 0.000 0.539 358 L N -1.016 120.066 121.223 -0.235 0.000 2.678 358 L HA 0.424 4.766 4.340 0.003 0.000 0.187 358 L C 2.165 178.943 176.870 -0.152 0.000 1.073 358 L CA 0.217 54.943 54.840 -0.191 0.000 0.883 358 L CB -0.178 41.668 42.059 -0.355 0.000 1.501 358 L HN -0.067 nan 8.230 nan 0.000 0.488 359 I N 1.114 121.507 120.570 -0.296 0.000 2.142 359 I HA -0.251 3.921 4.170 0.003 0.000 0.240 359 I C 2.568 178.726 176.117 0.069 0.000 1.078 359 I CA 2.044 63.212 61.300 -0.220 0.000 1.343 359 I CB -1.597 36.051 38.000 -0.586 0.000 1.046 359 I HN 0.606 nan 8.210 nan 0.000 0.405 360 Q N 0.827 120.660 119.800 0.054 0.000 2.234 360 Q HA -0.288 4.054 4.340 0.003 0.000 0.206 360 Q C 2.067 178.227 176.000 0.267 0.000 0.980 360 Q CA 1.814 57.747 55.803 0.216 0.000 0.869 360 Q CB -0.444 28.481 28.738 0.312 0.000 0.912 360 Q HN 0.439 nan 8.270 nan 0.000 0.436 361 Q N 1.168 121.077 119.800 0.183 0.000 2.096 361 Q HA -0.032 4.310 4.340 0.003 0.000 0.197 361 Q C 1.623 177.716 176.000 0.156 0.000 0.964 361 Q CA 1.672 57.570 55.803 0.158 0.000 0.838 361 Q CB 0.163 28.974 28.738 0.122 0.000 0.906 361 Q HN 0.433 nan 8.270 nan 0.000 0.444 362 K N -0.972 119.545 120.400 0.195 0.000 2.097 362 K HA -0.149 4.173 4.320 0.003 0.000 0.205 362 K C 1.759 178.545 176.600 0.309 0.000 1.050 362 K CA 1.168 57.612 56.287 0.261 0.000 0.938 362 K CB -0.403 32.274 32.500 0.294 0.000 0.718 362 K HN 0.288 nan 8.250 nan 0.000 0.442 363 W N 1.765 123.123 121.300 0.096 0.000 2.311 363 W HA -0.313 4.349 4.660 0.003 0.000 0.326 363 W C 2.242 178.586 176.519 -0.292 0.000 1.239 363 W CA 2.608 59.737 57.345 -0.361 0.000 1.258 363 W CB -0.625 28.700 29.460 -0.226 0.000 1.165 363 W HN 0.089 nan 8.180 nan 0.000 0.466 364 A N 0.248 123.084 122.820 0.026 0.000 1.958 364 A HA -0.326 3.997 4.320 0.003 0.000 0.221 364 A C 1.755 179.132 177.584 -0.345 0.000 1.178 364 A CA 2.345 54.227 52.037 -0.258 0.000 0.642 364 A CB -1.038 17.970 19.000 0.014 0.000 0.816 364 A HN 0.587 nan 8.150 nan 0.000 0.453 365 E N -0.088 120.000 120.200 -0.187 0.000 2.150 365 E HA -0.147 4.205 4.350 0.003 0.000 0.193 365 E C 2.390 178.863 176.600 -0.210 0.000 0.985 365 E CA 1.347 57.662 56.400 -0.141 0.000 0.814 365 E CB -0.174 29.509 29.700 -0.028 0.000 0.752 365 E HN 0.850 nan 8.360 nan 0.000 0.466 366 S N 0.678 116.173 115.700 -0.342 0.000 2.368 366 S HA -0.129 4.343 4.470 0.003 0.000 0.224 366 S C 2.143 176.478 174.600 -0.442 0.000 1.029 366 S CA 1.244 59.202 58.200 -0.404 0.000 0.988 366 S CB -0.465 62.258 63.200 -0.796 0.000 0.838 366 S HN 0.227 nan 8.310 nan 0.000 0.462 367 V N -1.865 117.672 119.914 -0.628 0.000 3.649 367 V HA 0.626 4.748 4.120 0.003 0.000 0.275 367 V C 1.386 177.350 176.094 -0.216 0.000 1.281 367 V CA 0.109 62.135 62.300 -0.457 0.000 1.143 367 V CB -1.059 30.380 31.823 -0.640 0.000 0.892 367 V HN 0.956 nan 8.190 nan 0.000 0.441 368 G N 0.817 109.474 108.800 -0.239 0.000 2.182 368 G HA2 -0.232 3.730 3.960 0.003 0.000 0.248 368 G HA3 -0.232 3.730 3.960 0.003 0.000 0.248 368 G C 0.155 174.953 174.900 -0.171 0.000 1.042 368 G CA 0.438 45.455 45.100 -0.138 0.000 0.775 368 G HN 0.491 nan 8.290 nan 0.000 0.501 369 L N 0.382 121.421 121.223 -0.308 0.000 2.395 369 L HA 0.243 4.585 4.340 0.003 0.000 0.218 369 L C 1.692 178.429 176.870 -0.222 0.000 1.130 369 L CA 0.910 55.523 54.840 -0.378 0.000 0.826 369 L CB -0.472 41.277 42.059 -0.516 0.000 0.941 369 L HN 0.479 nan 8.230 nan 0.000 0.451 374 T N -1.895 112.635 114.554 -0.040 0.000 2.924 374 T HA 0.822 5.174 4.350 0.003 0.000 0.291 374 T C -0.156 174.516 174.700 -0.048 0.000 1.045 374 T CA -0.939 61.147 62.100 -0.023 0.000 1.015 374 T CB 2.638 71.501 68.868 -0.008 0.000 1.103 374 T HN 0.241 nan 8.240 nan 0.000 0.496 375 R N -0.311 120.164 120.500 -0.041 0.000 2.854 375 R HA 0.692 5.034 4.340 0.003 0.000 0.271 375 R C 0.250 176.565 176.300 0.026 0.000 0.994 375 R CA -0.596 55.466 56.100 -0.064 0.000 0.945 375 R CB 1.617 31.798 30.300 -0.199 0.000 1.194 375 R HN 1.034 nan 8.270 nan 0.000 0.476 376 G N 0.014 108.866 108.800 0.086 0.000 2.467 376 G HA2 0.115 4.077 3.960 0.003 0.000 0.257 376 G HA3 0.115 4.077 3.960 0.003 0.000 0.257 376 G C 0.713 175.782 174.900 0.283 0.000 1.227 376 G CA -0.069 45.138 45.100 0.178 0.000 0.835 376 G HN 0.730 nan 8.290 nan 0.000 0.556 377 S N 0.623 116.478 115.700 0.258 0.000 2.453 377 S HA 0.043 4.515 4.470 0.003 0.000 0.231 377 S C 1.699 176.445 174.600 0.243 0.000 1.005 377 S CA 0.865 59.229 58.200 0.273 0.000 0.949 377 S CB 0.244 63.615 63.200 0.285 0.000 0.774 377 S HN 0.900 nan 8.310 nan 0.000 0.510 378 G N 0.805 109.726 108.800 0.200 0.000 3.936 378 G HA2 0.397 4.359 3.960 0.003 0.000 0.296 378 G HA3 0.397 4.359 3.960 0.003 0.000 0.296 378 G C 0.487 175.390 174.900 0.005 0.000 1.121 378 G CA -0.224 44.914 45.100 0.063 0.000 0.899 378 G HN 0.564 nan 8.290 nan 0.000 0.542 379 F N 0.130 120.120 119.950 0.068 0.000 2.216 379 F HA 0.102 4.631 4.527 0.004 0.000 0.300 379 F C 2.150 177.976 175.800 0.043 0.000 1.085 379 F CA 0.860 58.889 58.000 0.049 0.000 1.326 379 F CB -0.377 38.644 39.000 0.036 0.000 1.027 379 F HN 0.142 nan 8.300 nan 0.000 0.497 380 A N 0.620 122.943 122.820 -0.827 0.000 2.167 380 A HA 0.134 4.456 4.320 0.003 0.000 0.214 380 A C 2.169 179.624 177.584 -0.217 0.000 1.151 380 A CA 0.961 52.719 52.037 -0.465 0.000 0.735 380 A CB -1.153 17.498 19.000 -0.582 0.000 0.802 380 A HN 0.307 nan 8.150 nan 0.000 0.467 381 V N 0.135 119.943 119.914 -0.177 0.000 2.237 381 V HA -0.307 3.815 4.120 0.003 0.000 0.245 381 V C 2.497 178.527 176.094 -0.107 0.000 1.046 381 V CA 2.377 64.602 62.300 -0.124 0.000 1.007 381 V CB -0.715 31.051 31.823 -0.095 0.000 0.638 381 V HN 0.811 nan 8.190 nan 0.000 0.445 382 E N 0.906 121.070 120.200 -0.060 0.000 2.033 382 E HA -0.321 4.031 4.350 0.003 0.000 0.199 382 E C 2.444 178.987 176.600 -0.096 0.000 1.011 382 E CA 2.238 58.586 56.400 -0.087 0.000 0.815 382 E CB -0.249 29.442 29.700 -0.014 0.000 0.755 382 E HN 0.687 nan 8.360 nan 0.000 0.451 383 R N 0.082 120.541 120.500 -0.068 0.000 2.081 383 R HA -0.120 4.222 4.340 0.003 0.000 0.235 383 R C 1.809 178.060 176.300 -0.081 0.000 1.131 383 R CA 1.732 57.788 56.100 -0.073 0.000 0.960 383 R CB -0.572 29.684 30.300 -0.074 0.000 0.856 383 R HN 0.144 nan 8.270 nan 0.000 0.436 384 N N 0.966 119.612 118.700 -0.090 0.000 2.270 384 N HA -0.013 4.730 4.740 0.003 0.000 0.181 384 N C 1.918 177.355 175.510 -0.122 0.000 1.016 384 N CA 0.849 53.843 53.050 -0.092 0.000 0.870 384 N CB -0.190 38.244 38.487 -0.089 0.000 0.979 384 N HN 0.186 nan 8.380 nan 0.000 0.431 385 L N 1.190 122.332 121.223 -0.136 0.000 1.989 385 L HA -0.192 4.150 4.340 0.003 0.000 0.211 385 L C 2.143 178.984 176.870 -0.048 0.000 1.071 385 L CA 1.406 56.156 54.840 -0.149 0.000 0.749 385 L CB -0.266 41.678 42.059 -0.192 0.000 0.890 385 L HN 0.156 nan 8.230 nan 0.000 0.431 386 K N -0.579 119.811 120.400 -0.016 0.000 2.044 386 K HA -0.229 4.094 4.320 0.003 0.000 0.210 386 K C 2.087 178.710 176.600 0.038 0.000 1.049 386 K CA 1.671 57.983 56.287 0.042 0.000 0.927 386 K CB -0.215 32.275 32.500 -0.018 0.000 0.713 386 K HN 0.270 nan 8.250 nan 0.000 0.443 387 M N 0.117 119.703 119.600 -0.023 0.000 2.175 387 M HA -0.142 4.340 4.480 0.003 0.000 0.264 387 M C 2.369 178.617 176.300 -0.086 0.000 1.063 387 M CA 1.427 56.704 55.300 -0.039 0.000 1.119 387 M CB -0.245 32.328 32.600 -0.044 0.000 1.377 387 M HN 0.239 nan 8.290 nan 0.000 0.415 388 A N -0.354 122.373 122.820 -0.154 0.000 1.877 388 A HA -0.199 4.123 4.320 0.003 0.000 0.216 388 A C 1.796 179.320 177.584 -0.101 0.000 1.186 388 A CA 1.390 53.300 52.037 -0.213 0.000 0.620 388 A CB -1.235 17.567 19.000 -0.329 0.000 0.822 388 A HN 0.680 nan 8.150 nan 0.000 0.443 389 W N -0.410 120.839 121.300 -0.085 0.000 2.358 389 W HA -0.076 4.586 4.660 0.003 0.000 0.303 389 W C 2.755 179.226 176.519 -0.079 0.000 1.208 389 W CA 1.117 58.386 57.345 -0.127 0.000 1.274 389 W CB -0.061 29.317 29.460 -0.137 0.000 1.138 389 W HN 0.398 nan 8.180 nan 0.000 0.515 390 A N 0.028 122.956 122.820 0.180 0.000 2.019 390 A HA -0.163 4.159 4.320 0.003 0.000 0.219 390 A C 1.574 179.205 177.584 0.079 0.000 1.164 390 A CA 1.586 53.681 52.037 0.097 0.000 0.644 390 A CB -0.564 18.468 19.000 0.053 0.000 0.805 390 A HN 0.326 nan 8.150 nan 0.000 0.449 391 N N -0.445 118.316 118.700 0.102 0.000 2.205 391 N HA -0.013 4.730 4.740 0.003 0.000 0.201 391 N C 1.409 177.020 175.510 0.167 0.000 1.128 391 N CA 0.865 53.994 53.050 0.132 0.000 0.867 391 N CB 0.351 38.910 38.487 0.120 0.000 0.996 391 N HN 0.592 nan 8.380 nan 0.000 0.503 392 S N -0.080 115.697 115.700 0.128 0.000 2.447 392 S HA 0.015 4.487 4.470 0.003 0.000 0.233 392 S C 1.695 176.302 174.600 0.012 0.000 1.006 392 S CA 1.095 59.294 58.200 -0.001 0.000 0.957 392 S CB -0.224 62.945 63.200 -0.051 0.000 0.773 392 S HN 0.371 nan 8.310 nan 0.000 0.507 393 G N 0.952 109.775 108.800 0.039 0.000 2.179 393 G HA2 -0.134 3.828 3.960 0.003 0.000 0.260 393 G HA3 -0.134 3.828 3.960 0.003 0.000 0.260 393 G C 0.214 175.177 174.900 0.104 0.000 0.977 393 G CA 0.027 45.147 45.100 0.033 0.000 0.641 393 G HN 1.385 nan 8.290 nan 0.000 0.533 394 A N 0.746 123.681 122.820 0.193 0.000 2.454 394 A HA 0.694 5.016 4.320 0.003 0.000 0.260 394 A C 0.764 178.412 177.584 0.106 0.000 1.106 394 A CA 1.354 53.522 52.037 0.218 0.000 0.780 394 A CB 0.230 19.423 19.000 0.322 0.000 1.044 394 A HN 1.875 nan 8.150 nan 0.000 0.498 395 T N 0.131 114.729 114.554 0.074 0.000 2.906 395 T HA 0.773 5.125 4.350 0.003 0.000 0.295 395 T C 0.569 175.277 174.700 0.013 0.000 1.061 395 T CA 0.412 62.530 62.100 0.030 0.000 1.000 395 T CB 1.351 70.236 68.868 0.027 0.000 1.103 395 T HN 2.563 nan 8.240 nan 0.000 0.486 396 G N 2.184 110.976 108.800 -0.012 0.000 2.514 396 G HA2 -0.229 3.733 3.960 0.003 0.000 0.265 396 G HA3 -0.229 3.733 3.960 0.003 0.000 0.265 396 G C -0.238 174.631 174.900 -0.053 0.000 1.150 396 G CA 0.069 45.156 45.100 -0.023 0.000 0.959 396 G HN 1.036 nan 8.290 nan 0.000 0.556 397 R N -0.327 120.139 120.500 -0.056 0.000 2.297 397 R HA 0.583 4.925 4.340 0.003 0.000 0.308 397 R C -0.368 175.831 176.300 -0.168 0.000 1.029 397 R CA -0.068 55.955 56.100 -0.128 0.000 0.929 397 R CB 1.302 31.514 30.300 -0.147 0.000 1.046 397 R HN 1.090 nan 8.270 nan 0.000 0.461 398 V N 5.001 124.792 119.914 -0.204 0.000 2.604 398 V HA 0.374 4.496 4.120 0.003 0.000 0.305 398 V C -1.365 174.616 176.094 -0.187 0.000 1.043 398 V CA -0.678 61.509 62.300 -0.187 0.000 0.888 398 V CB 1.658 33.322 31.823 -0.264 0.000 0.995 398 V HN 0.936 nan 8.190 nan 0.000 0.429 399 H N 6.225 125.372 119.070 0.128 0.000 2.594 399 H HA 0.446 5.004 4.556 0.003 0.000 0.304 399 H C -0.944 174.542 175.328 0.263 0.000 1.068 399 H CA -0.087 56.124 56.048 0.272 0.000 1.308 399 H CB 0.930 30.923 29.762 0.385 0.000 1.409 399 H HN 0.638 nan 8.280 nan 0.000 0.460 400 F N 2.799 122.947 119.950 0.329 0.000 2.368 400 F HA 0.229 4.759 4.527 0.004 0.000 0.362 400 F C -0.053 175.981 175.800 0.390 0.000 1.137 400 F CA -0.546 57.693 58.000 0.398 0.000 1.161 400 F CB 0.497 39.572 39.000 0.124 0.000 1.265 400 F HN 0.442 nan 8.300 nan 0.000 0.530 401 C N 4.923 124.567 119.300 0.573 0.000 2.239 401 C HA 0.693 5.155 4.460 0.003 0.000 0.323 401 C C 0.368 175.524 174.990 0.278 0.000 1.205 401 C CA -0.969 58.319 59.018 0.451 0.000 1.584 401 C CB -0.690 27.350 27.740 0.500 0.000 2.201 401 C HN 0.653 nan 8.230 nan 0.000 0.475 402 V N 0.358 120.340 119.914 0.114 0.000 3.164 402 V HA 0.719 4.841 4.120 0.003 0.000 0.313 402 V C -0.654 175.248 176.094 -0.319 0.000 1.188 402 V CA -0.510 61.660 62.300 -0.217 0.000 1.058 402 V CB 1.669 33.462 31.823 -0.050 0.000 1.110 402 V HN 0.583 nan 8.190 nan 0.000 0.453 403 D N -0.346 119.734 120.400 -0.533 0.000 2.437 403 D HA 0.250 4.892 4.640 0.003 0.000 0.259 403 D C 0.010 176.231 176.300 -0.131 0.000 1.118 403 D CA -0.463 53.348 54.000 -0.316 0.000 1.017 403 D CB 2.045 42.563 40.800 -0.469 0.000 1.120 403 D HN 0.867 nan 8.370 nan 0.000 0.541 404 E N 0.450 120.628 120.200 -0.037 0.000 2.773 404 E HA 0.021 4.373 4.350 0.003 0.000 0.302 404 E C -0.698 175.870 176.600 -0.052 0.000 1.574 404 E CA 0.162 56.546 56.400 -0.027 0.000 1.775 404 E CB -0.066 29.643 29.700 0.016 0.000 1.413 404 E HN 0.167 nan 8.360 nan 0.000 0.471 405 E N 0.430 120.572 120.200 -0.098 0.000 2.224 405 E HA 0.185 4.537 4.350 0.003 0.000 0.265 405 E C 0.275 176.787 176.600 -0.146 0.000 0.878 405 E CA -0.523 55.808 56.400 -0.115 0.000 0.759 405 E CB 1.503 31.121 29.700 -0.136 0.000 1.164 405 E HN 0.220 nan 8.360 nan 0.000 0.414 406 R N 1.294 121.712 120.500 -0.137 0.000 2.159 406 R HA -0.179 4.163 4.340 0.003 0.000 0.237 406 R C 1.965 178.028 176.300 -0.395 0.000 1.131 406 R CA 1.454 57.467 56.100 -0.145 0.000 0.982 406 R CB 0.187 30.456 30.300 -0.052 0.000 0.868 406 R HN 0.616 nan 8.270 nan 0.000 0.453 407 E N 1.302 121.239 120.200 -0.439 0.000 2.072 407 E HA -0.198 4.155 4.350 0.003 0.000 0.191 407 E C 1.332 177.579 176.600 -0.588 0.000 0.985 407 E CA 1.137 57.119 56.400 -0.696 0.000 0.801 407 E CB 0.119 29.661 29.700 -0.263 0.000 0.750 407 E HN 0.379 nan 8.360 nan 0.000 0.452 408 E N 0.176 120.188 120.200 -0.313 0.000 2.150 408 E HA -0.193 4.159 4.350 0.003 0.000 0.193 408 E C 2.204 178.737 176.600 -0.113 0.000 0.985 408 E CA 1.096 57.393 56.400 -0.172 0.000 0.814 408 E CB 0.017 29.597 29.700 -0.201 0.000 0.752 408 E HN 0.459 nan 8.360 nan 0.000 0.466 409 Q N -0.288 119.401 119.800 -0.185 0.000 2.212 409 Q HA -0.094 4.249 4.340 0.003 0.000 0.199 409 Q C 1.845 177.823 176.000 -0.036 0.000 0.950 409 Q CA 0.984 56.736 55.803 -0.085 0.000 0.863 409 Q CB -0.026 28.672 28.738 -0.066 0.000 0.944 409 Q HN 0.564 nan 8.270 nan 0.000 0.465 410 Y N -1.748 118.556 120.300 0.005 0.000 2.517 410 Y HA 0.223 4.775 4.550 0.003 0.000 0.281 410 Y C 1.896 177.798 175.900 0.004 0.000 1.125 410 Y CA 0.438 58.535 58.100 -0.004 0.000 1.283 410 Y CB -0.273 38.200 38.460 0.022 0.000 1.042 410 Y HN -0.173 nan 8.280 nan 0.000 0.547 411 T N 0.905 115.491 114.554 0.054 0.000 2.770 411 T HA -0.089 4.263 4.350 0.003 0.000 0.263 411 T C 2.300 176.998 174.700 -0.004 0.000 1.039 411 T CA 1.388 63.569 62.100 0.135 0.000 1.142 411 T CB -0.522 68.452 68.868 0.177 0.000 0.868 411 T HN 0.552 nan 8.240 nan 0.000 0.435 412 A N 1.555 124.322 122.820 -0.089 0.000 1.865 412 A HA -0.042 4.280 4.320 0.003 0.000 0.217 412 A C 2.297 179.595 177.584 -0.478 0.000 1.191 412 A CA 1.408 53.215 52.037 -0.383 0.000 0.623 412 A CB -1.042 17.939 19.000 -0.032 0.000 0.826 412 A HN 0.464 nan 8.150 nan 0.000 0.444 413 L N -2.186 118.883 121.223 -0.256 0.000 2.191 413 L HA -0.176 4.166 4.340 0.003 0.000 0.212 413 L C 2.557 179.310 176.870 -0.196 0.000 1.103 413 L CA 1.342 56.025 54.840 -0.262 0.000 0.769 413 L CB -0.459 41.537 42.059 -0.106 0.000 0.908 413 L HN 0.603 nan 8.230 nan 0.000 0.438 414 Y N -0.225 119.937 120.300 -0.230 0.000 2.220 414 Y HA -0.230 4.322 4.550 0.004 0.000 0.291 414 Y C 2.561 178.328 175.900 -0.221 0.000 1.129 414 Y CA 1.110 59.097 58.100 -0.189 0.000 1.161 414 Y CB -0.466 37.923 38.460 -0.119 0.000 0.997 414 Y HN 0.134 nan 8.280 nan 0.000 0.522 415 C N -0.120 118.996 119.300 -0.306 0.000 2.457 415 C HA -0.128 4.334 4.460 0.003 0.000 0.278 415 C C 2.834 177.619 174.990 -0.341 0.000 1.309 415 C CA 1.053 59.933 59.018 -0.229 0.000 1.735 415 C CB -1.217 26.377 27.740 -0.243 0.000 1.992 415 C HN 0.659 nan 8.230 nan 0.000 0.493 416 M N 0.464 119.532 119.600 -0.886 0.000 2.086 416 M HA -0.249 4.233 4.480 0.003 0.000 0.261 416 M C 2.492 178.416 176.300 -0.627 0.000 1.067 416 M CA 1.690 56.266 55.300 -1.206 0.000 1.116 416 M CB -0.468 31.257 32.600 -1.459 0.000 1.348 416 M HN 0.436 nan 8.290 nan 0.000 0.407 417 Q N -0.422 119.106 119.800 -0.455 0.000 2.096 417 Q HA -0.244 4.098 4.340 0.003 0.000 0.208 417 Q C 1.926 177.753 176.000 -0.288 0.000 0.993 417 Q CA 2.210 57.827 55.803 -0.309 0.000 0.862 417 Q CB -0.207 28.395 28.738 -0.228 0.000 0.915 417 Q HN 0.705 nan 8.270 nan 0.000 0.416 418 A N 0.313 122.952 122.820 -0.302 0.000 1.873 418 A HA -0.075 4.247 4.320 0.003 0.000 0.215 418 A C 2.231 179.699 177.584 -0.192 0.000 1.186 418 A CA 1.502 53.427 52.037 -0.186 0.000 0.616 418 A CB -0.854 18.088 19.000 -0.096 0.000 0.823 418 A HN 0.489 nan 8.150 nan 0.000 0.442 419 A N 0.051 122.581 122.820 -0.484 0.000 1.908 419 A HA -0.211 4.111 4.320 0.003 0.000 0.218 419 A C 1.928 179.266 177.584 -0.410 0.000 1.181 419 A CA 1.730 53.291 52.037 -0.793 0.000 0.627 419 A CB -0.572 17.583 19.000 -1.408 0.000 0.818 419 A HN 0.640 nan 8.150 nan 0.000 0.445 420 E N -0.334 119.655 120.200 -0.352 0.000 2.150 420 E HA -0.060 4.292 4.350 0.003 0.000 0.193 420 E C 2.249 178.746 176.600 -0.171 0.000 0.985 420 E CA 0.738 56.993 56.400 -0.243 0.000 0.814 420 E CB -0.310 29.247 29.700 -0.238 0.000 0.752 420 E HN 0.616 nan 8.360 nan 0.000 0.466 421 A N 1.517 124.240 122.820 -0.161 0.000 2.032 421 A HA -0.148 4.174 4.320 0.003 0.000 0.221 421 A C 2.297 179.833 177.584 -0.081 0.000 1.165 421 A CA 1.632 53.603 52.037 -0.109 0.000 0.645 421 A CB -0.477 18.462 19.000 -0.101 0.000 0.807 421 A HN 0.230 nan 8.150 nan 0.000 0.453 422 V N -4.984 114.877 119.914 -0.088 0.000 3.376 422 V HA 0.616 4.739 4.120 0.003 0.000 0.313 422 V C 1.077 177.133 176.094 -0.064 0.000 1.393 422 V CA 0.566 62.835 62.300 -0.052 0.000 1.125 422 V CB -0.649 31.171 31.823 -0.005 0.000 1.037 422 V HN 1.430 nan 8.190 nan 0.000 0.440 423 G N 0.544 109.288 108.800 -0.092 0.000 2.176 423 G HA2 -0.200 3.762 3.960 0.003 0.000 0.232 423 G HA3 -0.200 3.762 3.960 0.003 0.000 0.232 423 G C -0.097 174.743 174.900 -0.100 0.000 0.986 423 G CA 0.144 45.195 45.100 -0.082 0.000 0.643 423 G HN 0.544 nan 8.290 nan 0.000 0.522 424 L N 0.419 121.553 121.223 -0.148 0.000 2.456 424 L HA 0.590 4.932 4.340 0.003 0.000 0.257 424 L C 0.765 177.537 176.870 -0.163 0.000 1.162 424 L CA -0.482 54.257 54.840 -0.169 0.000 0.808 424 L CB 1.006 42.902 42.059 -0.271 0.000 1.136 424 L HN 0.282 nan 8.230 nan 0.000 0.466 425 E N 0.540 120.658 120.200 -0.137 0.000 2.129 425 E HA 0.400 4.752 4.350 0.003 0.000 0.268 425 E C -0.564 175.968 176.600 -0.114 0.000 0.900 425 E CA -0.600 55.727 56.400 -0.120 0.000 0.755 425 E CB 1.475 31.120 29.700 -0.091 0.000 1.117 425 E HN 0.693 nan 8.360 nan 0.000 0.410 426 G N 3.265 111.994 108.800 -0.118 0.000 2.400 426 G HA2 0.366 4.328 3.960 0.003 0.000 0.301 426 G HA3 0.366 4.328 3.960 0.003 0.000 0.301 426 G C -0.874 173.997 174.900 -0.047 0.000 1.154 426 G CA -0.503 44.566 45.100 -0.053 0.000 0.852 426 G HN 0.380 nan 8.290 nan 0.000 0.511 427 K N 1.809 122.246 120.400 0.062 0.000 2.579 427 K HA 0.406 4.728 4.320 0.003 0.000 0.250 427 K C -1.077 175.632 176.600 0.182 0.000 0.952 427 K CA -0.750 55.584 56.287 0.078 0.000 0.857 427 K CB 1.261 33.827 32.500 0.110 0.000 1.123 427 K HN 0.322 nan 8.250 nan 0.000 0.433 428 L N 5.201 126.468 121.223 0.073 0.000 2.361 428 L HA 0.350 4.692 4.340 0.003 0.000 0.278 428 L C -1.232 175.689 176.870 0.086 0.000 1.113 428 L CA 0.238 55.133 54.840 0.092 0.000 0.849 428 L CB 0.224 42.276 42.059 -0.012 0.000 1.155 428 L HN 0.804 nan 8.230 nan 0.000 0.452 429 C N 6.734 126.120 119.300 0.143 0.000 2.409 429 C HA 0.446 4.908 4.460 0.003 0.000 0.297 429 C C 0.299 175.322 174.990 0.055 0.000 1.083 429 C CA -1.276 57.777 59.018 0.058 0.000 1.515 429 C CB -0.931 26.879 27.740 0.118 0.000 1.869 429 C HN 0.653 nan 8.230 nan 0.000 0.413 430 I N 4.305 124.873 120.570 -0.003 0.000 2.471 430 I HA 0.200 4.372 4.170 0.003 0.000 0.286 430 I C 0.621 176.704 176.117 -0.058 0.000 1.079 430 I CA 0.431 61.722 61.300 -0.013 0.000 1.398 430 I CB 0.195 38.188 38.000 -0.013 0.000 1.403 430 I HN 0.662 nan 8.210 nan 0.000 0.530 431 L N 5.109 126.280 121.223 -0.088 0.000 7.213 431 L HA -0.346 3.996 4.340 0.003 0.000 0.061 431 L C 0.074 176.581 176.870 -0.604 0.000 1.387 431 L CA 1.210 55.852 54.840 -0.329 0.000 1.628 431 L CB -0.777 41.318 42.059 0.060 0.000 2.745 431 L HN 0.558 nan 8.230 nan 0.000 1.105 432 F N -1.319 118.736 119.950 0.176 0.000 2.791 432 F HA 0.193 4.722 4.527 0.003 0.000 0.316 432 F C 1.166 177.039 175.800 0.122 0.000 1.134 432 F CA -0.130 58.008 58.000 0.229 0.000 1.222 432 F CB 0.119 39.200 39.000 0.135 0.000 1.034 432 F HN 0.300 nan 8.300 nan 0.000 0.516 433 D N 0.999 121.463 120.400 0.108 0.000 2.289 433 D HA -0.124 4.518 4.640 0.003 0.000 0.207 433 D C 2.110 178.366 176.300 -0.072 0.000 0.966 433 D CA 0.879 54.902 54.000 0.038 0.000 0.868 433 D CB 0.298 41.109 40.800 0.020 0.000 0.943 433 D HN 0.238 nan 8.370 nan 0.000 0.514 434 E N -0.981 119.069 120.200 -0.249 0.000 2.265 434 E HA -0.078 4.274 4.350 0.003 0.000 0.196 434 E C -0.302 176.011 176.600 -0.478 0.000 0.996 434 E CA 0.588 56.706 56.400 -0.470 0.000 0.832 434 E CB -0.113 29.102 29.700 -0.809 0.000 0.756 434 E HN 0.122 nan 8.360 nan 0.000 0.491 435 F N -0.074 119.863 119.950 -0.022 0.000 2.480 435 F HA 0.564 5.093 4.527 0.004 0.000 0.329 435 F C 0.288 176.015 175.800 -0.121 0.000 1.091 435 F CA -0.712 57.241 58.000 -0.077 0.000 0.972 435 F CB 1.674 40.627 39.000 -0.077 0.000 1.150 435 F HN -0.323 nan 8.300 nan 0.000 0.467 436 R N 1.530 122.060 120.500 0.049 0.000 2.740 436 R HA 0.536 4.878 4.340 0.003 0.000 0.273 436 R C -1.354 174.887 176.300 -0.099 0.000 0.998 436 R CA -1.012 55.050 56.100 -0.063 0.000 0.900 436 R CB 2.145 32.462 30.300 0.028 0.000 1.223 436 R HN 0.434 nan 8.270 nan 0.000 0.466 437 F N 0.897 120.910 119.950 0.104 0.000 2.403 437 F HA 0.127 4.656 4.527 0.003 0.000 0.320 437 F C 1.127 176.958 175.800 0.052 0.000 1.176 437 F CA 0.116 58.157 58.000 0.069 0.000 1.206 437 F CB 0.547 39.563 39.000 0.026 0.000 1.235 437 F HN 0.534 nan 8.300 nan 0.000 0.565 438 D N -1.230 119.319 120.400 0.248 0.000 2.497 438 D HA 0.194 4.836 4.640 0.003 0.000 0.243 438 D C 0.101 176.434 176.300 0.055 0.000 1.039 438 D CA -0.683 53.398 54.000 0.134 0.000 1.052 438 D CB 0.468 41.346 40.800 0.129 0.000 1.344 438 D HN 0.326 nan 8.370 nan 0.000 0.553 439 D N -0.477 119.939 120.400 0.027 0.000 2.191 439 D HA -0.190 4.452 4.640 0.003 0.000 0.195 439 D C 0.996 177.248 176.300 -0.079 0.000 1.003 439 D CA 1.305 55.294 54.000 -0.020 0.000 0.867 439 D CB -0.163 40.632 40.800 -0.009 0.000 0.926 439 D HN 0.391 nan 8.370 nan 0.000 0.450 440 N N -0.494 118.148 118.700 -0.096 0.000 2.398 440 N HA 0.083 4.825 4.740 0.003 0.000 0.188 440 N C 1.178 176.430 175.510 -0.431 0.000 1.122 440 N CA 0.941 53.848 53.050 -0.238 0.000 0.866 440 N CB 0.825 39.193 38.487 -0.199 0.000 0.970 440 N HN 0.268 nan 8.380 nan 0.000 0.462 441 G N 0.798 109.435 108.800 -0.272 0.000 2.149 441 G HA2 -0.243 3.719 3.960 0.003 0.000 0.235 441 G HA3 -0.243 3.719 3.960 0.003 0.000 0.235 441 G C -0.456 174.371 174.900 -0.123 0.000 1.018 441 G CA -0.062 44.869 45.100 -0.282 0.000 0.728 441 G HN 0.539 nan 8.290 nan 0.000 0.508 442 H N -1.334 117.814 119.070 0.131 0.000 2.479 442 H HA 0.539 5.097 4.556 0.003 0.000 0.335 442 H C 0.257 175.727 175.328 0.236 0.000 1.142 442 H CA -1.028 55.117 56.048 0.162 0.000 1.234 442 H CB 1.930 31.752 29.762 0.100 0.000 1.503 442 H HN 0.112 nan 8.280 nan 0.000 0.510 443 V N 3.971 124.084 119.914 0.332 0.000 2.488 443 V HA 0.152 4.274 4.120 0.003 0.000 0.277 443 V C -0.111 176.066 176.094 0.139 0.000 1.046 443 V CA -0.215 62.183 62.300 0.163 0.000 0.986 443 V CB 0.849 32.685 31.823 0.020 0.000 0.989 443 V HN 0.405 nan 8.190 nan 0.000 0.475 444 V N 4.199 124.198 119.914 0.142 0.000 2.914 444 V HA 0.497 4.619 4.120 0.003 0.000 0.314 444 V C -0.319 175.885 176.094 0.183 0.000 1.084 444 V CA -0.815 61.578 62.300 0.154 0.000 0.963 444 V CB 2.297 34.203 31.823 0.138 0.000 1.025 444 V HN 1.015 nan 8.190 nan 0.000 0.432 445 D N 1.447 121.935 120.400 0.147 0.000 2.507 445 D HA 0.187 4.829 4.640 0.003 0.000 0.280 445 D C 1.186 177.497 176.300 0.019 0.000 1.219 445 D CA 0.245 54.272 54.000 0.045 0.000 1.085 445 D CB 0.756 41.576 40.800 0.034 0.000 1.134 445 D HN 0.486 nan 8.370 nan 0.000 0.583 446 S N -1.885 113.795 115.700 -0.032 0.000 2.558 446 S HA -0.015 4.457 4.470 0.003 0.000 0.217 446 S C 0.568 175.174 174.600 0.010 0.000 0.975 446 S CA 0.037 58.225 58.200 -0.019 0.000 0.912 446 S CB -0.280 62.889 63.200 -0.052 0.000 0.776 446 S HN 0.409 nan 8.310 nan 0.000 0.526 447 D N 1.164 121.583 120.400 0.032 0.000 2.339 447 D HA 0.213 4.855 4.640 0.003 0.000 0.217 447 D C 1.451 177.782 176.300 0.051 0.000 1.050 447 D CA 0.800 54.823 54.000 0.039 0.000 0.856 447 D CB 0.355 41.181 40.800 0.045 0.000 0.922 447 D HN 0.628 nan 8.370 nan 0.000 0.518 448 G N 0.856 109.692 108.800 0.061 0.000 2.176 448 G HA2 -0.296 3.666 3.960 0.003 0.000 0.253 448 G HA3 -0.296 3.666 3.960 0.003 0.000 0.253 448 G C 0.534 175.488 174.900 0.091 0.000 0.979 448 G CA 0.133 45.275 45.100 0.071 0.000 0.641 448 G HN 0.281 nan 8.290 nan 0.000 0.530 449 V N 2.084 122.064 119.914 0.111 0.000 2.479 449 V HA 0.256 4.378 4.120 0.003 0.000 0.281 449 V C 1.416 177.613 176.094 0.171 0.000 1.031 449 V CA -0.062 62.320 62.300 0.137 0.000 1.038 449 V CB 1.014 32.930 31.823 0.156 0.000 0.981 449 V HN 0.518 nan 8.190 nan 0.000 0.478 450 R N 3.896 124.479 120.500 0.139 0.000 2.570 450 R HA 0.196 4.539 4.340 0.003 0.000 0.277 450 R C -0.552 175.853 176.300 0.174 0.000 1.039 450 R CA -0.371 55.808 56.100 0.132 0.000 1.065 450 R CB 0.629 30.974 30.300 0.074 0.000 0.964 450 R HN 0.564 nan 8.270 nan 0.000 0.428 451 V N 6.161 126.168 119.914 0.156 0.000 2.572 451 V HA 0.045 4.167 4.120 0.003 0.000 0.291 451 V C 1.300 177.470 176.094 0.127 0.000 1.039 451 V CA 0.497 62.909 62.300 0.186 0.000 1.055 451 V CB 0.989 32.832 31.823 0.034 0.000 0.969 451 V HN 0.946 nan 8.190 nan 0.000 0.482 452 R N 2.475 123.064 120.500 0.148 0.000 2.573 452 R HA 0.330 4.672 4.340 0.003 0.000 0.224 452 R C -0.131 176.199 176.300 0.050 0.000 0.904 452 R CA -0.372 55.776 56.100 0.080 0.000 0.995 452 R CB 0.615 30.965 30.300 0.082 0.000 1.430 452 R HN 0.588 nan 8.270 nan 0.000 0.631 453 N N 0.964 119.717 118.700 0.088 0.000 2.310 453 N HA 0.348 5.090 4.740 0.003 0.000 0.292 453 N C -1.713 173.869 175.510 0.119 0.000 1.049 453 N CA -0.539 52.567 53.050 0.093 0.000 0.849 453 N CB 3.270 41.867 38.487 0.183 0.000 1.532 453 N HN -0.111 nan 8.380 nan 0.000 0.479 454 V N 2.018 121.968 119.914 0.060 0.000 2.447 454 V HA 0.308 4.430 4.120 0.003 0.000 0.292 454 V C -0.911 175.373 176.094 0.315 0.000 1.021 454 V CA -0.845 61.556 62.300 0.169 0.000 0.850 454 V CB 1.829 33.727 31.823 0.124 0.000 1.005 454 V HN 0.677 nan 8.190 nan 0.000 0.426 455 W N 7.962 129.307 121.300 0.075 0.000 2.351 455 W HA 0.668 5.330 4.660 0.003 0.000 0.311 455 W C -0.036 176.561 176.519 0.131 0.000 1.168 455 W CA -0.116 57.287 57.345 0.096 0.000 1.200 455 W CB 0.908 30.182 29.460 -0.310 0.000 1.221 455 W HN 0.513 nan 8.180 nan 0.000 0.519 456 K N 2.670 122.833 120.400 -0.394 0.000 2.556 456 K HA 0.378 4.700 4.320 0.003 0.000 0.274 456 K C -0.265 175.929 176.600 -0.676 0.000 0.966 456 K CA -0.213 55.913 56.287 -0.268 0.000 0.865 456 K CB 1.187 33.716 32.500 0.048 0.000 1.444 456 K HN 0.519 nan 8.250 nan 0.000 0.433 457 T N -3.150 111.148 114.554 -0.428 0.000 3.015 457 T HA 0.172 4.524 4.350 0.003 0.000 0.250 457 T C 0.342 174.835 174.700 -0.345 0.000 1.057 457 T CA -0.238 61.622 62.100 -0.400 0.000 1.066 457 T CB -0.435 68.255 68.868 -0.296 0.000 0.959 457 T HN 0.503 nan 8.240 nan 0.000 0.488 458 W N 2.833 124.030 121.300 -0.171 0.000 2.476 458 W HA 0.213 4.875 4.660 0.003 0.000 0.338 458 W C 0.790 177.128 176.519 -0.302 0.000 1.328 458 W CA -0.902 56.332 57.345 -0.184 0.000 1.300 458 W CB -0.213 29.146 29.460 -0.167 0.000 1.252 458 W HN 0.064 nan 8.180 nan 0.000 0.568 459 M N 3.092 122.694 119.600 0.004 0.000 2.243 459 M HA -0.049 4.433 4.480 0.003 0.000 0.341 459 M C 0.699 176.921 176.300 -0.131 0.000 1.130 459 M CA -0.105 55.153 55.300 -0.070 0.000 1.162 459 M CB 0.331 32.935 32.600 0.008 0.000 1.497 459 M HN 0.721 nan 8.290 nan 0.000 0.456 460 W N 0.918 122.167 121.300 -0.085 0.000 2.374 460 W HA -0.157 4.506 4.660 0.004 0.000 0.288 460 W C 1.839 178.275 176.519 -0.139 0.000 1.218 460 W CA 0.799 58.052 57.345 -0.154 0.000 1.245 460 W CB -0.206 29.129 29.460 -0.210 0.000 1.126 460 W HN 0.681 nan 8.180 nan 0.000 0.545 461 E N -0.140 120.127 120.200 0.112 0.000 2.077 461 E HA -0.180 4.172 4.350 0.003 0.000 0.193 461 E C 2.168 178.796 176.600 0.048 0.000 0.989 461 E CA 1.951 58.391 56.400 0.068 0.000 0.800 461 E CB -0.692 29.048 29.700 0.067 0.000 0.746 461 E HN 0.014 nan 8.360 nan 0.000 0.452 462 S N 0.261 115.988 115.700 0.044 0.000 2.400 462 S HA -0.188 4.284 4.470 0.003 0.000 0.232 462 S C 1.995 176.584 174.600 -0.018 0.000 1.025 462 S CA 1.005 59.231 58.200 0.042 0.000 0.993 462 S CB -0.268 62.995 63.200 0.105 0.000 0.808 462 S HN 0.417 nan 8.310 nan 0.000 0.478 463 A N 1.190 123.968 122.820 -0.070 0.000 1.930 463 A HA 0.117 4.439 4.320 0.003 0.000 0.215 463 A C 2.047 179.590 177.584 -0.070 0.000 1.176 463 A CA 0.744 52.703 52.037 -0.129 0.000 0.632 463 A CB -0.536 18.332 19.000 -0.221 0.000 0.819 463 A HN 0.455 nan 8.150 nan 0.000 0.445 464 I N -0.433 120.083 120.570 -0.089 0.000 2.226 464 I HA -0.222 3.950 4.170 0.003 0.000 0.245 464 I C 2.610 178.827 176.117 0.166 0.000 1.100 464 I CA 1.686 62.926 61.300 -0.101 0.000 1.374 464 I CB -0.488 37.416 38.000 -0.160 0.000 1.057 464 I HN 0.238 nan 8.210 nan 0.000 0.413 465 T N -0.285 114.355 114.554 0.143 0.000 2.652 465 T HA -0.268 4.085 4.350 0.003 0.000 0.267 465 T C 1.570 176.346 174.700 0.127 0.000 1.039 465 T CA 2.006 64.207 62.100 0.168 0.000 1.153 465 T CB -0.403 68.524 68.868 0.098 0.000 0.863 465 T HN 0.340 nan 8.240 nan 0.000 0.428 466 D N -0.552 119.872 120.400 0.040 0.000 2.311 466 D HA -0.112 4.530 4.640 0.003 0.000 0.212 466 D C 1.550 177.855 176.300 0.009 0.000 0.972 466 D CA 0.698 54.681 54.000 -0.029 0.000 0.887 466 D CB -0.085 40.631 40.800 -0.141 0.000 0.915 466 D HN 0.523 nan 8.370 nan 0.000 0.497 467 Y N -0.808 119.451 120.300 -0.068 0.000 2.177 467 Y HA -0.111 4.442 4.550 0.004 0.000 0.291 467 Y C 1.539 177.388 175.900 -0.085 0.000 1.117 467 Y CA 1.273 59.316 58.100 -0.096 0.000 1.114 467 Y CB -0.465 37.928 38.460 -0.111 0.000 1.017 467 Y HN -0.061 nan 8.280 nan 0.000 0.505 468 Y N 0.135 120.551 120.300 0.193 0.000 2.274 468 Y HA -0.145 4.407 4.550 0.003 0.000 0.290 468 Y C 2.585 178.455 175.900 -0.050 0.000 1.145 468 Y CA 1.288 59.426 58.100 0.064 0.000 1.203 468 Y CB -0.963 37.583 38.460 0.142 0.000 0.984 468 Y HN 0.273 nan 8.280 nan 0.000 0.533 469 A N -0.705 122.175 122.820 0.099 0.000 2.119 469 A HA 0.124 4.446 4.320 0.003 0.000 0.217 469 A C 2.258 179.785 177.584 -0.096 0.000 1.153 469 A CA 1.241 53.279 52.037 0.002 0.000 0.692 469 A CB -0.774 18.227 19.000 0.002 0.000 0.799 469 A HN 0.350 nan 8.150 nan 0.000 0.458 470 A N -0.461 122.256 122.820 -0.171 0.000 2.044 470 A HA 0.156 4.479 4.320 0.003 0.000 0.213 470 A C 2.007 179.388 177.584 -0.339 0.000 1.169 470 A CA 1.101 52.963 52.037 -0.290 0.000 0.724 470 A CB -0.277 18.510 19.000 -0.354 0.000 0.840 470 A HN 0.396 nan 8.150 nan 0.000 0.463 471 R N 0.825 121.143 120.500 -0.304 0.000 2.117 471 R HA -0.157 4.185 4.340 0.003 0.000 0.243 471 R C 1.725 177.928 176.300 -0.162 0.000 1.143 471 R CA 2.322 58.274 56.100 -0.248 0.000 0.968 471 R CB -0.322 29.885 30.300 -0.155 0.000 0.863 471 R HN 0.699 nan 8.270 nan 0.000 0.444 472 E N -0.323 119.804 120.200 -0.121 0.000 2.030 472 E HA -0.093 4.260 4.350 0.003 0.000 0.189 472 E C 1.814 178.337 176.600 -0.128 0.000 0.974 472 E CA 0.939 57.282 56.400 -0.094 0.000 0.807 472 E CB -0.114 29.553 29.700 -0.055 0.000 0.771 472 E HN 0.420 nan 8.360 nan 0.000 0.451 473 E N 0.639 120.749 120.200 -0.150 0.000 2.393 473 E HA -0.139 4.214 4.350 0.003 0.000 0.201 473 E C 0.360 176.819 176.600 -0.234 0.000 1.025 473 E CA 0.768 57.068 56.400 -0.167 0.000 0.856 473 E CB 0.083 29.683 29.700 -0.168 0.000 0.771 473 E HN 0.104 nan 8.360 nan 0.000 0.526 474 R N -1.442 118.872 120.500 -0.311 0.000 2.885 474 R HA 0.499 4.841 4.340 0.003 0.000 0.260 474 R C 0.143 176.294 176.300 -0.249 0.000 1.107 474 R CA -0.656 55.200 56.100 -0.408 0.000 0.978 474 R CB 0.877 30.630 30.300 -0.911 0.000 1.227 474 R HN -0.027 nan 8.270 nan 0.000 0.473 475 G N -0.347 108.362 108.800 -0.152 0.000 2.543 475 G HA2 0.115 4.077 3.960 0.003 0.000 0.290 475 G HA3 0.115 4.077 3.960 0.003 0.000 0.290 475 G C 0.394 175.294 174.900 -0.001 0.000 1.310 475 G CA -0.339 44.742 45.100 -0.030 0.000 1.025 475 G HN 0.800 nan 8.290 nan 0.000 0.502 476 E N -0.912 119.296 120.200 0.013 0.000 2.075 476 E HA -0.028 4.324 4.350 0.003 0.000 0.190 476 E C -0.060 176.568 176.600 0.047 0.000 0.969 476 E CA 0.194 56.603 56.400 0.014 0.000 0.815 476 E CB -0.053 29.647 29.700 -0.000 0.000 0.776 476 E HN 0.231 nan 8.360 nan 0.000 0.457 477 N N 0.986 119.715 118.700 0.048 0.000 2.482 477 N HA 0.174 4.916 4.740 0.003 0.000 0.242 477 N C -1.835 173.748 175.510 0.122 0.000 1.100 477 N CA -0.078 53.002 53.050 0.050 0.000 0.946 477 N CB 0.134 38.629 38.487 0.014 0.000 1.227 477 N HN 0.309 nan 8.380 nan 0.000 0.508 478 W N 2.369 123.619 121.300 -0.084 0.000 2.950 478 W HA 0.528 5.190 4.660 0.003 0.000 0.340 478 W C -1.276 175.171 176.519 -0.119 0.000 1.139 478 W CA -0.777 56.509 57.345 -0.098 0.000 1.188 478 W CB 1.428 30.825 29.460 -0.105 0.000 1.426 478 W HN 0.058 nan 8.180 nan 0.000 0.531 479 K N 4.887 124.618 120.400 -1.114 0.000 2.615 479 K HA 0.283 4.605 4.320 0.003 0.000 0.249 479 K C -2.571 173.147 176.600 -1.470 0.000 0.977 479 K CA -1.679 53.965 56.287 -1.071 0.000 0.833 479 K CB 2.022 34.197 32.500 -0.542 0.000 1.208 479 K HN 0.122 nan 8.250 nan 0.000 0.443 480 P HA -0.094 nan 4.420 nan 0.000 0.266 480 P C -0.668 176.142 177.300 -0.817 0.000 1.186 480 P CA 0.182 62.371 63.100 -1.518 0.000 0.767 480 P CB 0.625 31.329 31.700 -1.661 0.000 0.820 481 S N 2.004 117.415 115.700 -0.483 0.000 2.541 481 S HA 0.535 5.007 4.470 0.003 0.000 0.271 481 S C -2.354 172.319 174.600 0.121 0.000 1.133 481 S CA -1.566 56.550 58.200 -0.140 0.000 0.876 481 S CB 1.567 64.701 63.200 -0.109 0.000 1.105 481 S HN 0.048 nan 8.310 nan 0.000 0.470 482 P HA -0.061 nan 4.420 nan 0.000 0.220 482 P C 0.731 178.128 177.300 0.161 0.000 1.144 482 P CA 1.189 64.389 63.100 0.166 0.000 0.800 482 P CB 0.066 31.822 31.700 0.094 0.000 0.772 483 K N -1.046 119.436 120.400 0.136 0.000 2.167 483 K HA -0.007 4.315 4.320 0.003 0.000 0.203 483 K C 0.413 177.124 176.600 0.185 0.000 1.052 483 K CA 0.489 56.852 56.287 0.128 0.000 0.956 483 K CB -0.295 32.260 32.500 0.091 0.000 0.735 483 K HN 0.223 nan 8.250 nan 0.000 0.451 484 D N 2.337 122.902 120.400 0.275 0.000 2.424 484 D HA 0.031 4.673 4.640 0.003 0.000 0.244 484 D C -0.040 176.514 176.300 0.423 0.000 1.134 484 D CA 0.456 54.689 54.000 0.389 0.000 0.881 484 D CB 0.802 41.929 40.800 0.545 0.000 1.191 484 D HN -0.062 nan 8.370 nan 0.000 0.445 485 K N 0.484 121.051 120.400 0.279 0.000 2.237 485 K HA 0.222 4.544 4.320 0.003 0.000 0.270 485 K C -0.280 176.402 176.600 0.138 0.000 1.015 485 K CA -0.551 55.826 56.287 0.150 0.000 0.949 485 K CB 1.541 34.088 32.500 0.078 0.000 0.976 485 K HN 0.165 nan 8.250 nan 0.000 0.472 486 V N 4.561 124.415 119.914 -0.100 0.000 2.406 486 V HA 0.208 4.330 4.120 0.003 0.000 0.272 486 V C -0.182 175.795 176.094 -0.196 0.000 1.043 486 V CA -0.313 61.831 62.300 -0.259 0.000 0.915 486 V CB 0.492 32.040 31.823 -0.458 0.000 0.988 486 V HN 0.649 nan 8.190 nan 0.000 0.466 487 R N 3.959 124.327 120.500 -0.220 0.000 2.549 487 R HA 0.340 4.682 4.340 0.003 0.000 0.259 487 R C 0.917 176.761 176.300 -0.759 0.000 1.095 487 R CA -0.671 55.130 56.100 -0.498 0.000 1.148 487 R CB 0.724 30.840 30.300 -0.307 0.000 1.181 487 R HN 0.737 nan 8.270 nan 0.000 0.571 488 L N 1.631 122.174 121.223 -1.134 0.000 2.127 488 L HA -0.190 4.152 4.340 0.003 0.000 0.211 488 L C 2.183 178.806 176.870 -0.412 0.000 1.089 488 L CA 1.745 56.046 54.840 -0.898 0.000 0.757 488 L CB -0.533 40.986 42.059 -0.899 0.000 0.899 488 L HN 0.878 nan 8.230 nan 0.000 0.434 489 C N -2.661 116.479 119.300 -0.266 0.000 2.468 489 C HA 0.049 4.511 4.460 0.003 0.000 0.277 489 C C 2.075 177.102 174.990 0.061 0.000 1.400 489 C CA 0.094 59.085 59.018 -0.045 0.000 1.770 489 C CB -1.196 26.589 27.740 0.075 0.000 1.905 489 C HN 0.525 nan 8.230 nan 0.000 0.519 490 D N 1.114 121.530 120.400 0.027 0.000 2.162 490 D HA -0.032 4.610 4.640 0.003 0.000 0.205 490 D C 2.026 178.382 176.300 0.095 0.000 0.964 490 D CA 0.844 54.948 54.000 0.175 0.000 0.847 490 D CB -0.314 40.660 40.800 0.289 0.000 0.988 490 D HN 0.453 nan 8.370 nan 0.000 0.480 491 L N 0.220 121.407 121.223 -0.060 0.000 2.141 491 L HA -0.072 4.270 4.340 0.003 0.000 0.209 491 L C 1.745 178.651 176.870 0.060 0.000 1.094 491 L CA 1.375 56.161 54.840 -0.090 0.000 0.763 491 L CB -0.066 41.889 42.059 -0.174 0.000 0.908 491 L HN -0.072 nan 8.230 nan 0.000 0.437 492 L N -2.026 119.171 121.223 -0.044 0.000 2.577 492 L HA 0.226 4.568 4.340 0.003 0.000 0.225 492 L C 1.017 177.861 176.870 -0.043 0.000 1.053 492 L CA 0.675 55.381 54.840 -0.222 0.000 0.866 492 L CB 0.188 41.888 42.059 -0.599 0.000 1.132 492 L HN 0.021 nan 8.230 nan 0.000 0.486 493 L N -0.597 120.665 121.223 0.064 0.000 3.209 493 L HA 0.405 4.747 4.340 0.003 0.000 0.279 493 L C 0.848 177.873 176.870 0.259 0.000 1.301 493 L CA -0.461 54.453 54.840 0.124 0.000 1.004 493 L CB 0.148 42.219 42.059 0.021 0.000 1.402 493 L HN 0.145 nan 8.230 nan 0.000 0.577 494 G N -0.490 108.481 108.800 0.284 0.000 2.570 494 G HA2 0.020 3.982 3.960 0.003 0.000 0.276 494 G HA3 0.020 3.982 3.960 0.003 0.000 0.276 494 G C 0.091 175.219 174.900 0.380 0.000 1.346 494 G CA -0.087 45.209 45.100 0.328 0.000 1.034 494 G HN 0.238 nan 8.290 nan 0.000 0.512 495 D N -1.199 119.386 120.400 0.307 0.000 2.234 495 D HA 0.007 4.649 4.640 0.003 0.000 0.205 495 D C 0.472 176.912 176.300 0.234 0.000 0.962 495 D CA 0.548 54.691 54.000 0.238 0.000 0.855 495 D CB 0.210 41.074 40.800 0.107 0.000 0.951 495 D HN 0.265 nan 8.370 nan 0.000 0.500 496 D N -0.234 120.336 120.400 0.285 0.000 2.402 496 D HA -0.034 4.609 4.640 0.003 0.000 0.235 496 D C -0.184 176.351 176.300 0.392 0.000 1.226 496 D CA -0.374 53.764 54.000 0.231 0.000 0.918 496 D CB 0.154 41.056 40.800 0.170 0.000 1.043 496 D HN 0.110 nan 8.370 nan 0.000 0.506 497 W N 2.503 123.799 121.300 -0.007 0.000 3.292 497 W HA 0.125 4.787 4.660 0.003 0.000 0.263 497 W C 1.162 177.681 176.519 0.001 0.000 1.318 497 W CA -0.296 57.041 57.345 -0.013 0.000 1.663 497 W CB -0.065 29.213 29.460 -0.302 0.000 1.114 497 W HN 0.452 nan 8.180 nan 0.000 0.706 498 E N -0.226 120.068 120.200 0.157 0.000 2.481 498 E HA 0.171 4.523 4.350 0.003 0.000 0.198 498 E C 0.555 177.291 176.600 0.226 0.000 1.027 498 E CA -0.008 56.403 56.400 0.019 0.000 0.900 498 E CB -0.109 29.589 29.700 -0.004 0.000 0.993 498 E HN 0.060 nan 8.360 nan 0.000 0.482 499 I N 1.678 122.346 120.570 0.163 0.000 2.683 499 I HA -0.065 4.107 4.170 0.003 0.000 0.286 499 I C 0.206 176.253 176.117 -0.116 0.000 1.175 499 I CA 0.082 61.356 61.300 -0.043 0.000 1.429 499 I CB 0.445 38.306 38.000 -0.231 0.000 1.371 499 I HN -0.105 nan 8.210 nan 0.000 0.569 500 L N 7.584 128.715 121.223 -0.154 0.000 2.281 500 L HA 0.247 4.589 4.340 0.003 0.000 0.285 500 L C -0.811 175.711 176.870 -0.580 0.000 1.074 500 L CA -0.246 54.446 54.840 -0.246 0.000 0.817 500 L CB 0.130 42.119 42.059 -0.116 0.000 1.168 500 L HN 0.430 nan 8.230 nan 0.000 0.434 501 Y N 2.948 123.025 120.300 -0.372 0.000 2.360 501 Y HA 0.372 4.924 4.550 0.003 0.000 0.337 501 Y C -0.268 175.218 175.900 -0.690 0.000 1.039 501 Y CA -0.402 57.521 58.100 -0.295 0.000 1.109 501 Y CB 1.345 39.880 38.460 0.125 0.000 1.201 501 Y HN 0.300 nan 8.280 nan 0.000 0.458 502 F N 2.361 122.406 119.950 0.157 0.000 2.389 502 F HA 0.405 4.934 4.527 0.003 0.000 0.327 502 F C -0.155 175.465 175.800 -0.301 0.000 1.204 502 F CA -0.672 57.309 58.000 -0.031 0.000 1.209 502 F CB 0.524 39.562 39.000 0.063 0.000 1.460 502 F HN 0.306 nan 8.300 nan 0.000 0.537 503 E N 2.855 123.015 120.200 -0.067 0.000 2.272 503 E HA 0.399 4.751 4.350 0.003 0.000 0.269 503 E C -2.702 173.928 176.600 0.049 0.000 0.877 503 E CA -2.420 53.952 56.400 -0.047 0.000 0.755 503 E CB 2.813 32.450 29.700 -0.105 0.000 1.192 503 E HN -0.002 nan 8.360 nan 0.000 0.422 504 P HA 0.119 nan 4.420 nan 0.000 0.274 504 P C 0.843 177.733 177.300 -0.683 0.000 1.237 504 P CA -0.257 62.647 63.100 -0.327 0.000 0.793 504 P CB 0.936 32.302 31.700 -0.556 0.000 0.977 505 M N 1.827 120.802 119.600 -1.041 0.000 2.202 505 M HA -0.109 4.373 4.480 0.003 0.000 0.262 505 M C 1.597 177.397 176.300 -0.834 0.000 1.063 505 M CA 1.920 56.170 55.300 -1.751 0.000 1.097 505 M CB -0.422 31.166 32.600 -1.686 0.000 1.382 505 M HN 0.473 nan 8.290 nan 0.000 0.413 506 W N -0.038 121.025 121.300 -0.397 0.000 2.595 506 W HA -0.015 4.648 4.660 0.005 0.000 0.257 506 W C 1.042 177.462 176.519 -0.165 0.000 1.267 506 W CA 0.043 57.257 57.345 -0.219 0.000 1.300 506 W CB -1.012 28.442 29.460 -0.011 0.000 1.120 506 W HN 0.062 nan 8.180 nan 0.000 0.618 507 K N 1.879 121.995 120.400 -0.473 0.000 2.442 507 K HA -0.122 4.200 4.320 0.003 0.000 0.198 507 K C 2.070 178.580 176.600 -0.150 0.000 1.044 507 K CA 1.478 57.545 56.287 -0.365 0.000 0.948 507 K CB -0.727 31.453 32.500 -0.534 0.000 0.762 507 K HN 0.412 nan 8.250 nan 0.000 0.472 508 V N -2.030 117.821 119.914 -0.106 0.000 2.809 508 V HA -0.140 3.982 4.120 0.003 0.000 0.256 508 V C 1.986 178.132 176.094 0.087 0.000 1.080 508 V CA 0.984 63.279 62.300 -0.007 0.000 1.102 508 V CB -0.591 31.229 31.823 -0.005 0.000 0.705 508 V HN 0.073 nan 8.190 nan 0.000 0.475 509 I N 1.240 121.862 120.570 0.086 0.000 2.110 509 I HA -0.037 4.135 4.170 0.003 0.000 0.236 509 I C 0.249 176.524 176.117 0.262 0.000 1.068 509 I CA 1.652 63.039 61.300 0.145 0.000 1.333 509 I CB -1.672 36.259 38.000 -0.115 0.000 1.054 509 I HN 0.314 nan 8.210 nan 0.000 0.402 510 P HA -0.063 nan 4.420 nan 0.000 0.225 510 P C 1.336 178.740 177.300 0.174 0.000 1.148 510 P CA 1.303 64.582 63.100 0.298 0.000 0.779 510 P CB -0.026 31.811 31.700 0.229 0.000 0.780 511 S N -1.096 114.624 115.700 0.033 0.000 2.527 511 S HA -0.007 4.465 4.470 0.003 0.000 0.222 511 S C 1.068 175.714 174.600 0.077 0.000 0.985 511 S CA -0.032 58.160 58.200 -0.013 0.000 0.921 511 S CB -0.709 62.443 63.200 -0.081 0.000 0.772 511 S HN 0.191 nan 8.310 nan 0.000 0.529 512 N N 2.010 120.803 118.700 0.155 0.000 2.488 512 N HA 0.154 4.896 4.740 0.003 0.000 0.274 512 N C 0.621 176.164 175.510 0.054 0.000 1.111 512 N CA 0.029 53.132 53.050 0.090 0.000 0.974 512 N CB 0.789 39.330 38.487 0.090 0.000 1.089 512 N HN 0.090 nan 8.380 nan 0.000 0.465 513 K N 2.202 122.602 120.400 0.000 0.000 2.211 513 K HA -0.132 4.190 4.320 0.003 0.000 0.204 513 K C 1.504 178.059 176.600 -0.075 0.000 1.047 513 K CA 1.284 57.573 56.287 0.003 0.000 0.935 513 K CB -0.014 32.484 32.500 -0.002 0.000 0.728 513 K HN 0.614 nan 8.250 nan 0.000 0.452 514 A N 1.228 123.895 122.820 -0.255 0.000 2.131 514 A HA -0.159 4.163 4.320 0.003 0.000 0.220 514 A C 1.955 179.445 177.584 -0.156 0.000 1.158 514 A CA 1.079 52.885 52.037 -0.385 0.000 0.665 514 A CB -0.485 17.816 19.000 -1.166 0.000 0.795 514 A HN 0.335 nan 8.150 nan 0.000 0.460 515 I N -0.794 119.798 120.570 0.037 0.000 2.876 515 I HA -0.084 4.088 4.170 0.003 0.000 0.264 515 I C 1.877 178.018 176.117 0.040 0.000 1.204 515 I CA 0.404 61.873 61.300 0.281 0.000 1.485 515 I CB 0.015 38.270 38.000 0.424 0.000 1.103 515 I HN 0.322 nan 8.210 nan 0.000 0.446 516 L N 1.282 122.497 121.223 -0.014 0.000 2.046 516 L HA -0.115 4.227 4.340 0.003 0.000 0.208 516 L C -0.513 176.236 176.870 -0.203 0.000 1.077 516 L CA 1.304 56.095 54.840 -0.081 0.000 0.747 516 L CB -2.093 39.955 42.059 -0.019 0.000 0.896 516 L HN 0.213 nan 8.230 nan 0.000 0.432 517 P HA -0.129 nan 4.420 nan 0.000 0.223 517 P C 1.777 178.683 177.300 -0.658 0.000 1.151 517 P CA 1.325 64.053 63.100 -0.620 0.000 0.787 517 P CB 0.054 31.129 31.700 -1.042 0.000 0.788 518 M N -0.806 118.639 119.600 -0.258 0.000 2.077 518 M HA -0.088 4.394 4.480 0.003 0.000 0.261 518 M C 2.261 178.484 176.300 -0.129 0.000 1.070 518 M CA 1.808 57.062 55.300 -0.076 0.000 1.125 518 M CB -0.989 31.653 32.600 0.070 0.000 1.339 518 M HN -0.064 nan 8.290 nan 0.000 0.409 519 I N -2.112 118.349 120.570 -0.182 0.000 2.361 519 I HA -0.279 3.893 4.170 0.003 0.000 0.251 519 I C 2.486 178.545 176.117 -0.097 0.000 1.133 519 I CA 1.624 62.807 61.300 -0.196 0.000 1.413 519 I CB -0.841 36.886 38.000 -0.454 0.000 1.073 519 I HN 0.173 nan 8.210 nan 0.000 0.424 520 Y N 2.079 122.233 120.300 -0.242 0.000 2.220 520 Y HA -0.179 4.373 4.550 0.004 0.000 0.291 520 Y C 2.505 178.340 175.900 -0.108 0.000 1.129 520 Y CA 1.795 59.782 58.100 -0.188 0.000 1.161 520 Y CB -0.808 37.508 38.460 -0.240 0.000 0.997 520 Y HN 0.273 nan 8.280 nan 0.000 0.522 521 H N -0.893 118.043 119.070 -0.223 0.000 2.387 521 H HA -0.151 4.407 4.556 0.003 0.000 0.299 521 H C 1.677 176.830 175.328 -0.290 0.000 1.090 521 H CA 1.103 56.982 56.048 -0.282 0.000 1.332 521 H CB 0.046 29.732 29.762 -0.127 0.000 1.386 521 H HN 0.312 nan 8.280 nan 0.000 0.516 522 N N -0.029 118.578 118.700 -0.155 0.000 2.207 522 N HA -0.079 4.663 4.740 0.003 0.000 0.182 522 N C 0.200 175.345 175.510 -0.608 0.000 1.020 522 N CA 1.072 53.914 53.050 -0.348 0.000 0.858 522 N CB 0.261 38.569 38.487 -0.299 0.000 0.991 522 N HN 0.452 nan 8.380 nan 0.000 0.427 523 H N -0.627 118.376 119.070 -0.112 0.000 2.439 523 H HA 0.215 4.773 4.556 0.003 0.000 0.228 523 H C -1.711 173.566 175.328 -0.085 0.000 1.423 523 H CA -1.194 54.806 56.048 -0.079 0.000 1.386 523 H CB 1.491 31.224 29.762 -0.048 0.000 1.641 523 H HN 0.167 nan 8.280 nan 0.000 0.508 524 P HA -0.139 nan 4.420 nan 0.000 0.226 524 P C 1.361 178.676 177.300 0.025 0.000 1.153 524 P CA 0.964 63.963 63.100 -0.168 0.000 0.777 524 P CB 0.472 31.936 31.700 -0.394 0.000 0.794 525 E N -0.628 119.589 120.200 0.029 0.000 2.358 525 E HA -0.148 4.204 4.350 0.003 0.000 0.195 525 E C 0.637 177.232 176.600 -0.008 0.000 1.010 525 E CA 0.365 56.776 56.400 0.019 0.000 0.856 525 E CB -1.186 28.524 29.700 0.016 0.000 0.795 525 E HN 0.331 nan 8.360 nan 0.000 0.504 526 H N 3.067 122.106 119.070 -0.052 0.000 2.848 526 H HA 0.082 4.640 4.556 0.003 0.000 0.317 526 H C -1.560 173.643 175.328 -0.207 0.000 1.046 526 H CA -1.487 54.463 56.048 -0.163 0.000 1.470 526 H CB 1.570 31.215 29.762 -0.195 0.000 1.483 526 H HN -0.056 nan 8.280 nan 0.000 0.548 527 P HA -0.063 nan 4.420 nan 0.000 0.225 527 P C 0.734 177.915 177.300 -0.198 0.000 1.148 527 P CA 0.980 63.912 63.100 -0.280 0.000 0.779 527 P CB 0.224 31.737 31.700 -0.310 0.000 0.780 528 A N -0.948 121.770 122.820 -0.170 0.000 2.238 528 A HA 0.190 4.512 4.320 0.003 0.000 0.210 528 A C 1.123 178.665 177.584 -0.069 0.000 1.179 528 A CA -0.090 51.858 52.037 -0.148 0.000 0.827 528 A CB -0.543 18.303 19.000 -0.257 0.000 0.856 528 A HN 0.120 nan 8.150 nan 0.000 0.488 529 I N 1.648 122.209 120.570 -0.014 0.000 2.312 529 I HA 0.191 4.363 4.170 0.003 0.000 0.291 529 I C -0.460 175.639 176.117 -0.030 0.000 1.031 529 I CA -0.384 60.912 61.300 -0.006 0.000 1.293 529 I CB 1.315 39.338 38.000 0.039 0.000 1.403 529 I HN 0.135 nan 8.210 nan 0.000 0.484 530 L N 7.208 128.394 121.223 -0.061 0.000 2.453 530 L HA 0.129 4.471 4.340 0.003 0.000 0.272 530 L C 0.552 177.209 176.870 -0.355 0.000 1.182 530 L CA -0.367 54.393 54.840 -0.133 0.000 0.858 530 L CB 0.047 42.080 42.059 -0.043 0.000 1.120 530 L HN 0.514 nan 8.230 nan 0.000 0.474 531 K N 2.802 122.856 120.400 -0.575 0.000 2.511 531 K HA 0.348 4.671 4.320 0.003 0.000 0.280 531 K C -0.255 175.966 176.600 -0.632 0.000 1.008 531 K CA 0.045 55.644 56.287 -1.146 0.000 1.050 531 K CB 0.350 32.349 32.500 -0.835 0.000 0.889 531 K HN 0.677 nan 8.250 nan 0.000 0.484 532 A N 3.226 125.670 122.820 -0.626 0.000 2.488 532 A HA 0.406 4.729 4.320 0.003 0.000 0.295 532 A C -1.217 176.243 177.584 -0.208 0.000 1.045 532 A CA -0.935 50.938 52.037 -0.272 0.000 0.703 532 A CB 1.306 20.173 19.000 -0.222 0.000 1.271 532 A HN 0.574 nan 8.150 nan 0.000 0.400 533 E N 0.764 120.892 120.200 -0.120 0.000 2.416 533 E HA 0.394 4.746 4.350 0.003 0.000 0.273 533 E C -0.584 175.983 176.600 -0.056 0.000 0.935 533 E CA -0.442 55.919 56.400 -0.065 0.000 0.784 533 E CB 1.039 30.770 29.700 0.051 0.000 1.301 533 E HN 0.599 nan 8.360 nan 0.000 0.454 534 Y N 0.120 120.536 120.300 0.194 0.000 2.365 534 Y HA 0.047 4.599 4.550 0.003 0.000 0.293 534 Y C 0.851 176.908 175.900 0.260 0.000 1.119 534 Y CA 0.687 58.903 58.100 0.194 0.000 1.203 534 Y CB 0.563 39.104 38.460 0.134 0.000 1.026 534 Y HN 0.178 nan 8.280 nan 0.000 0.549 535 E N 0.025 120.367 120.200 0.238 0.000 2.263 535 E HA 0.267 4.620 4.350 0.003 0.000 0.264 535 E C -1.213 175.158 176.600 -0.382 0.000 0.923 535 E CA -1.148 55.233 56.400 -0.032 0.000 0.802 535 E CB 2.426 32.121 29.700 -0.009 0.000 1.228 535 E HN -0.082 nan 8.360 nan 0.000 0.417 536 L N 1.742 122.475 121.223 -0.816 0.000 2.426 536 L HA 0.220 4.562 4.340 0.003 0.000 0.271 536 L C 0.092 176.735 176.870 -0.380 0.000 1.169 536 L CA 0.486 54.822 54.840 -0.840 0.000 0.836 536 L CB 0.494 41.950 42.059 -1.004 0.000 1.112 536 L HN 0.637 nan 8.230 nan 0.000 0.465 537 T N -0.540 113.846 114.554 -0.281 0.000 2.924 537 T HA 0.362 4.714 4.350 0.003 0.000 0.291 537 T C 0.590 175.235 174.700 -0.092 0.000 1.045 537 T CA -0.764 61.257 62.100 -0.131 0.000 1.015 537 T CB 1.190 70.026 68.868 -0.053 0.000 1.103 537 T HN 0.543 nan 8.240 nan 0.000 0.496 538 D N 0.259 120.638 120.400 -0.035 0.000 2.182 538 D HA -0.138 4.505 4.640 0.003 0.000 0.201 538 D C 1.734 178.067 176.300 0.056 0.000 0.986 538 D CA 1.388 55.390 54.000 0.005 0.000 0.847 538 D CB 0.061 40.869 40.800 0.013 0.000 0.942 538 D HN 0.898 nan 8.370 nan 0.000 0.467 539 E N 0.582 120.828 120.200 0.076 0.000 2.085 539 E HA -0.176 4.176 4.350 0.003 0.000 0.194 539 E C 2.284 179.019 176.600 0.225 0.000 0.994 539 E CA 0.753 57.252 56.400 0.166 0.000 0.801 539 E CB -0.128 29.639 29.700 0.112 0.000 0.743 539 E HN 0.239 nan 8.360 nan 0.000 0.453 540 L N 0.127 121.400 121.223 0.084 0.000 2.109 540 L HA -0.076 4.266 4.340 0.003 0.000 0.207 540 L C 2.834 179.846 176.870 0.237 0.000 1.086 540 L CA 0.939 55.843 54.840 0.108 0.000 0.760 540 L CB -0.290 41.742 42.059 -0.045 0.000 0.910 540 L HN 0.079 nan 8.230 nan 0.000 0.437 541 R N 0.164 120.748 120.500 0.139 0.000 2.105 541 R HA -0.198 4.144 4.340 0.003 0.000 0.239 541 R C 2.263 178.672 176.300 0.183 0.000 1.135 541 R CA 1.485 57.719 56.100 0.224 0.000 0.967 541 R CB -0.169 30.195 30.300 0.107 0.000 0.861 541 R HN 0.335 nan 8.270 nan 0.000 0.442 542 K N -1.079 119.404 120.400 0.138 0.000 2.076 542 K HA -0.074 4.248 4.320 0.003 0.000 0.204 542 K C 1.807 178.395 176.600 -0.022 0.000 1.051 542 K CA 1.203 57.510 56.287 0.033 0.000 0.949 542 K CB 0.004 32.489 32.500 -0.026 0.000 0.726 542 K HN 0.273 nan 8.250 nan 0.000 0.443 543 H N -0.830 118.284 119.070 0.073 0.000 2.512 543 H HA 0.155 4.713 4.556 0.004 0.000 0.279 543 H C 0.392 175.764 175.328 0.073 0.000 0.999 543 H CA 0.835 56.923 56.048 0.067 0.000 1.283 543 H CB 0.519 30.319 29.762 0.064 0.000 1.421 543 H HN 0.345 nan 8.280 nan 0.000 0.554 544 G N -0.344 108.588 108.800 0.219 0.000 2.911 544 G HA2 -0.000 3.962 3.960 0.003 0.000 0.686 544 G HA3 -0.000 3.962 3.960 0.003 0.000 0.686 544 G C -1.129 173.903 174.900 0.219 0.000 1.136 544 G CA -0.504 44.681 45.100 0.142 0.000 0.764 544 G HN 0.469 nan 8.290 nan 0.000 0.626 545 Y N -1.150 119.194 120.300 0.073 0.000 2.588 545 Y HA 0.898 5.450 4.550 0.004 0.000 0.343 545 Y C -0.121 175.817 175.900 0.065 0.000 1.065 545 Y CA -1.253 56.896 58.100 0.082 0.000 1.038 545 Y CB 1.403 39.942 38.460 0.131 0.000 1.297 545 Y HN 1.764 nan 8.280 nan 0.000 0.467 546 A N 2.936 125.873 122.820 0.194 0.000 2.319 546 A HA 0.515 4.837 4.320 0.003 0.000 0.310 546 A C -1.009 176.664 177.584 0.148 0.000 1.152 546 A CA -1.094 51.000 52.037 0.095 0.000 0.783 546 A CB 1.037 20.050 19.000 0.020 0.000 1.184 546 A HN 0.722 nan 8.150 nan 0.000 0.474 547 K N 2.793 123.257 120.400 0.107 0.000 2.338 547 K HA 0.263 4.585 4.320 0.003 0.000 0.290 547 K C -0.612 175.909 176.600 -0.132 0.000 1.069 547 K CA 0.284 56.487 56.287 -0.141 0.000 0.941 547 K CB 0.207 32.662 32.500 -0.074 0.000 1.023 547 K HN 0.677 nan 8.250 nan 0.000 0.477 548 K N 4.875 125.175 120.400 -0.168 0.000 2.375 548 K HA 0.439 4.761 4.320 0.003 0.000 0.249 548 K C -2.628 173.920 176.600 -0.086 0.000 0.942 548 K CA -2.078 54.157 56.287 -0.086 0.000 0.806 548 K CB 2.136 34.611 32.500 -0.042 0.000 1.227 548 K HN 0.433 nan 8.250 nan 0.000 0.430 549 P HA 0.310 nan 4.420 nan 0.000 0.288 549 P C -0.636 176.644 177.300 -0.034 0.000 1.267 549 P CA -0.394 62.682 63.100 -0.040 0.000 0.815 549 P CB 0.830 32.517 31.700 -0.023 0.000 0.989 550 I N 3.524 124.072 120.570 -0.036 0.000 2.396 550 I HA 0.356 4.528 4.170 0.003 0.000 0.292 550 I C 0.912 177.015 176.117 -0.023 0.000 0.999 550 I CA -0.309 60.963 61.300 -0.047 0.000 1.310 550 I CB 1.079 39.038 38.000 -0.069 0.000 1.404 550 I HN 0.442 nan 8.210 nan 0.000 0.496 579 N N 4.252 122.963 118.700 0.018 0.000 2.439 579 N HA 0.421 5.163 4.740 0.003 0.000 0.249 579 N C -0.048 175.468 175.510 0.009 0.000 1.003 579 N CA 0.112 53.172 53.050 0.018 0.000 0.942 579 N CB 1.091 39.578 38.487 -0.001 0.000 1.115 579 N HN 0.443 nan 8.380 nan 0.000 0.505 580 M N 0.217 119.834 119.600 0.027 0.000 2.843 580 M HA 0.601 5.083 4.480 0.003 0.000 0.273 580 M C -0.708 175.607 176.300 0.024 0.000 1.286 580 M CA -1.155 54.125 55.300 -0.033 0.000 0.807 580 M CB 1.636 34.137 32.600 -0.164 0.000 1.684 580 M HN 0.218 nan 8.290 nan 0.000 0.458 581 I N -1.150 119.368 120.570 -0.086 0.000 2.693 581 I HA 0.657 4.829 4.170 0.003 0.000 0.303 581 I C -1.889 174.080 176.117 -0.246 0.000 1.025 581 I CA -0.814 60.447 61.300 -0.065 0.000 1.086 581 I CB 1.977 39.931 38.000 -0.077 0.000 1.268 581 I HN 0.597 nan 8.210 nan 0.000 0.440 582 Y N 2.975 123.252 120.300 -0.038 0.000 2.334 582 Y HA 0.481 5.033 4.550 0.003 0.000 0.336 582 Y C -0.010 175.868 175.900 -0.036 0.000 0.960 582 Y CA -0.373 57.716 58.100 -0.019 0.000 1.164 582 Y CB 1.387 39.767 38.460 -0.132 0.000 1.155 582 Y HN 0.567 nan 8.280 nan 0.000 0.478 583 Q N 3.050 122.922 119.800 0.120 0.000 2.312 583 Q HA 0.231 4.573 4.340 0.003 0.000 0.263 583 Q C -0.672 175.388 176.000 0.100 0.000 0.995 583 Q CA -0.956 54.881 55.803 0.057 0.000 0.853 583 Q CB 1.656 30.420 28.738 0.043 0.000 1.300 583 Q HN 0.688 nan 8.270 nan 0.000 0.448 584 Q N 2.989 122.809 119.800 0.033 0.000 2.349 584 Q HA 0.045 4.387 4.340 0.003 0.000 0.287 584 Q C -0.808 175.257 176.000 0.108 0.000 1.044 584 Q CA 0.181 56.023 55.803 0.065 0.000 0.918 584 Q CB 0.533 29.253 28.738 -0.029 0.000 1.242 584 Q HN 0.602 nan 8.270 nan 0.000 0.405 585 L N 3.709 125.009 121.223 0.129 0.000 2.417 585 L HA 0.318 4.660 4.340 0.003 0.000 0.268 585 L C -0.303 176.692 176.870 0.208 0.000 1.158 585 L CA -0.127 54.781 54.840 0.113 0.000 0.819 585 L CB 0.289 42.381 42.059 0.056 0.000 1.112 585 L HN 0.579 nan 8.230 nan 0.000 0.458 586 F N 1.824 121.774 119.950 0.000 0.000 2.561 586 F HA 0.296 4.825 4.527 0.004 0.000 0.313 586 F C 0.025 175.830 175.800 0.008 0.000 1.126 586 F CA -0.760 57.253 58.000 0.023 0.000 0.918 586 F CB 1.670 40.706 39.000 0.060 0.000 1.199 586 F HN 0.438 nan 8.300 nan 0.000 0.444 587 E N 5.588 125.410 120.200 -0.631 0.000 2.316 587 E HA 0.299 4.651 4.350 0.003 0.000 0.275 587 E C -1.163 175.246 176.600 -0.318 0.000 1.029 587 E CA -0.344 55.823 56.400 -0.389 0.000 0.871 587 E CB 0.700 30.191 29.700 -0.348 0.000 1.022 587 E HN 0.702 nan 8.360 nan 0.000 0.418 588 L N 5.955 127.158 121.223 -0.032 0.000 2.353 588 L HA 0.252 4.594 4.340 0.003 0.000 0.269 588 L C 0.291 177.264 176.870 0.172 0.000 1.085 588 L CA -0.687 54.244 54.840 0.152 0.000 0.938 588 L CB 0.322 42.544 42.059 0.272 0.000 1.312 588 L HN 0.327 nan 8.230 nan 0.000 0.429 589 K N 3.032 123.453 120.400 0.035 0.000 2.414 589 K HA 0.169 4.491 4.320 0.003 0.000 0.272 589 K C -0.053 176.522 176.600 -0.042 0.000 0.993 589 K CA 0.095 56.371 56.287 -0.019 0.000 0.964 589 K CB 0.914 33.389 32.500 -0.041 0.000 0.925 589 K HN 0.421 nan 8.250 nan 0.000 0.487 590 K N 2.393 122.712 120.400 -0.135 0.000 2.156 590 K HA 0.323 4.645 4.320 0.003 0.000 0.250 590 K C -0.210 176.350 176.600 -0.068 0.000 0.955 590 K CA -0.726 55.440 56.287 -0.202 0.000 0.855 590 K CB 1.456 33.725 32.500 -0.385 0.000 1.101 590 K HN 0.401 nan 8.250 nan 0.000 0.434 591 Q N 1.458 121.253 119.800 -0.010 0.000 2.274 591 Q HA 0.134 4.476 4.340 0.003 0.000 0.268 591 Q C -1.354 174.680 176.000 0.056 0.000 1.015 591 Q CA -0.557 55.256 55.803 0.018 0.000 0.775 591 Q CB 1.757 30.520 28.738 0.042 0.000 1.256 591 Q HN 0.603 nan 8.270 nan 0.000 0.442 592 D N 2.004 122.423 120.400 0.031 0.000 2.837 592 D HA -0.202 4.440 4.640 0.003 0.000 0.230 592 D C -0.439 175.928 176.300 0.112 0.000 1.152 592 D CA 1.431 55.480 54.000 0.083 0.000 0.736 592 D CB -0.699 40.167 40.800 0.110 0.000 1.084 592 D HN 0.893 nan 8.370 nan 0.000 0.429 593 D N -2.364 118.026 120.400 -0.018 0.000 3.059 593 D HA -0.260 4.382 4.640 0.003 0.000 0.220 593 D C -0.280 175.869 176.300 -0.252 0.000 1.169 593 D CA 0.960 54.869 54.000 -0.152 0.000 0.902 593 D CB -1.282 39.425 40.800 -0.156 0.000 1.116 593 D HN 0.506 nan 8.370 nan 0.000 0.417 594 Y N -0.293 119.941 120.300 -0.111 0.000 2.330 594 Y HA 0.391 4.943 4.550 0.003 0.000 0.336 594 Y C 0.640 176.483 175.900 -0.094 0.000 1.036 594 Y CA -0.850 57.232 58.100 -0.030 0.000 1.125 594 Y CB 0.820 39.323 38.460 0.071 0.000 1.194 594 Y HN -0.173 nan 8.280 nan 0.000 0.469 595 Y N 1.640 122.066 120.300 0.209 0.000 2.304 595 Y HA 0.550 5.102 4.550 0.003 0.000 0.327 595 Y C 0.271 176.292 175.900 0.201 0.000 1.209 595 Y CA -0.688 57.513 58.100 0.168 0.000 1.299 595 Y CB 0.897 39.418 38.460 0.101 0.000 1.249 595 Y HN 0.592 nan 8.280 nan 0.000 0.519 596 A N 3.790 126.792 122.820 0.303 0.000 2.371 596 A HA 0.767 5.089 4.320 0.003 0.000 0.311 596 A C -1.429 176.273 177.584 0.197 0.000 1.068 596 A CA -0.666 51.465 52.037 0.156 0.000 0.744 596 A CB 0.835 19.808 19.000 -0.045 0.000 1.239 596 A HN 0.540 nan 8.150 nan 0.000 0.435 597 I N 2.814 123.484 120.570 0.167 0.000 2.406 597 I HA 0.350 4.522 4.170 0.003 0.000 0.290 597 I C -0.630 175.580 176.117 0.154 0.000 0.999 597 I CA -0.722 60.730 61.300 0.254 0.000 1.124 597 I CB 1.343 39.531 38.000 0.313 0.000 1.289 597 I HN 0.485 nan 8.210 nan 0.000 0.441 598 I N 4.965 125.670 120.570 0.224 0.000 2.395 598 I HA 0.360 4.532 4.170 0.003 0.000 0.289 598 I C 1.003 177.178 176.117 0.097 0.000 1.023 598 I CA 0.216 61.636 61.300 0.200 0.000 1.350 598 I CB 1.098 39.333 38.000 0.391 0.000 1.409 598 I HN 0.642 nan 8.210 nan 0.000 0.507 599 G N 4.337 113.165 108.800 0.047 0.000 2.329 599 G HA2 0.562 4.524 3.960 0.003 0.000 0.309 599 G HA3 0.562 4.524 3.960 0.003 0.000 0.309 599 G C -0.093 174.726 174.900 -0.134 0.000 1.110 599 G CA -0.566 44.459 45.100 -0.125 0.000 0.923 599 G HN 0.832 nan 8.290 nan 0.000 0.430 600 G N 1.391 110.016 108.800 -0.291 0.000 2.415 600 G HA2 0.455 4.417 3.960 0.003 0.000 0.317 600 G HA3 0.455 4.417 3.960 0.003 0.000 0.317 600 G C -0.784 173.857 174.900 -0.431 0.000 1.152 600 G CA -0.783 44.257 45.100 -0.100 0.000 0.956 600 G HN 0.565 nan 8.290 nan 0.000 0.458 601 W N 3.234 124.236 121.300 -0.497 0.000 2.332 601 W HA 0.433 5.095 4.660 0.003 0.000 0.306 601 W C 0.280 176.513 176.519 -0.476 0.000 1.149 601 W CA -0.970 56.151 57.345 -0.373 0.000 1.271 601 W CB 1.421 30.738 29.460 -0.238 0.000 1.243 601 W HN 0.052 nan 8.180 nan 0.000 0.459 602 M N 5.850 125.471 119.600 0.034 0.000 2.108 602 M HA 0.288 4.770 4.480 0.003 0.000 0.354 602 M C -0.587 175.806 176.300 0.155 0.000 1.229 602 M CA -0.514 54.834 55.300 0.081 0.000 1.081 602 M CB 0.475 33.126 32.600 0.085 0.000 1.606 602 M HN 0.190 nan 8.290 nan 0.000 0.467 603 I N 2.907 123.513 120.570 0.060 0.000 2.411 603 I HA 0.437 4.609 4.170 0.003 0.000 0.284 603 I C 1.023 177.088 176.117 -0.088 0.000 1.012 603 I CA -0.018 61.283 61.300 0.002 0.000 1.119 603 I CB 0.512 38.472 38.000 -0.065 0.000 1.261 603 I HN 0.917 nan 8.210 nan 0.000 0.448 604 G N 7.006 115.732 108.800 -0.123 0.000 2.596 604 G HA2 -0.328 3.634 3.960 0.003 0.000 0.295 604 G HA3 -0.328 3.634 3.960 0.003 0.000 0.295 604 G C 0.341 175.125 174.900 -0.194 0.000 1.240 604 G CA 0.740 45.601 45.100 -0.398 0.000 0.985 604 G HN 0.750 nan 8.290 nan 0.000 0.555 605 D N 1.091 121.299 120.400 -0.321 0.000 2.370 605 D HA 0.562 5.204 4.640 0.003 0.000 0.230 605 D C 0.687 177.069 176.300 0.137 0.000 1.143 605 D CA 0.902 54.914 54.000 0.020 0.000 0.834 605 D CB -0.164 40.737 40.800 0.168 0.000 0.944 605 D HN 1.126 nan 8.370 nan 0.000 0.504 606 A N 0.291 123.148 122.820 0.061 0.000 2.303 606 A HA 0.502 4.824 4.320 0.003 0.000 0.320 606 A C -0.952 176.698 177.584 0.109 0.000 1.192 606 A CA -0.876 51.222 52.037 0.102 0.000 0.821 606 A CB 0.389 19.427 19.000 0.063 0.000 1.188 606 A HN 0.237 nan 8.150 nan 0.000 0.492 607 F N 2.969 122.933 119.950 0.024 0.000 2.502 607 F HA 0.276 4.805 4.527 0.003 0.000 0.371 607 F C 1.022 176.850 175.800 0.047 0.000 1.083 607 F CA 0.877 58.915 58.000 0.063 0.000 1.174 607 F CB 0.965 39.989 39.000 0.040 0.000 1.096 607 F HN 0.440 nan 8.300 nan 0.000 0.545 608 S N 3.162 118.716 115.700 -0.243 0.000 2.603 608 S HA 0.493 4.965 4.470 0.003 0.000 0.232 608 S C 0.205 174.714 174.600 -0.151 0.000 1.016 608 S CA 0.142 58.257 58.200 -0.142 0.000 0.976 608 S CB 0.382 63.510 63.200 -0.120 0.000 0.921 608 S HN 1.062 nan 8.310 nan 0.000 0.516 609 G N 0.981 109.682 108.800 -0.165 0.000 2.347 609 G HA2 0.372 4.334 3.960 0.003 0.000 0.303 609 G HA3 0.372 4.334 3.960 0.003 0.000 0.303 609 G C -0.934 174.052 174.900 0.145 0.000 1.481 609 G CA -0.296 44.852 45.100 0.080 0.000 0.914 609 G HN 0.196 nan 8.290 nan 0.000 0.638 610 T N -1.851 112.912 114.554 0.349 0.000 2.912 610 T HA 0.924 5.276 4.350 0.003 0.000 0.288 610 T C 0.334 175.255 174.700 0.368 0.000 1.030 610 T CA 0.045 62.371 62.100 0.378 0.000 1.020 610 T CB 2.202 71.348 68.868 0.464 0.000 1.056 610 T HN 2.022 nan 8.240 nan 0.000 0.480 611 G N 0.416 109.419 108.800 0.339 0.000 2.694 611 G HA2 0.722 4.684 3.960 0.003 0.000 0.290 611 G HA3 0.722 4.684 3.960 0.003 0.000 0.290 611 G C -1.611 173.257 174.900 -0.053 0.000 1.386 611 G CA -1.036 44.227 45.100 0.272 0.000 0.872 611 G HN 0.893 nan 8.290 nan 0.000 0.475 612 I N -0.020 120.220 120.570 -0.550 0.000 2.647 612 I HA 0.481 4.653 4.170 0.003 0.000 0.295 612 I C -0.431 175.355 176.117 -0.552 0.000 1.078 612 I CA -0.850 60.178 61.300 -0.453 0.000 1.048 612 I CB 2.728 40.407 38.000 -0.536 0.000 1.239 612 I HN 0.261 nan 8.210 nan 0.000 0.421 613 R N 4.631 125.018 120.500 -0.188 0.000 2.393 613 R HA 0.353 4.695 4.340 0.003 0.000 0.315 613 R C -0.845 175.471 176.300 0.027 0.000 0.952 613 R CA -0.694 55.379 56.100 -0.045 0.000 0.842 613 R CB 1.974 32.338 30.300 0.107 0.000 1.163 613 R HN 0.620 nan 8.270 nan 0.000 0.450 614 E N 2.094 122.338 120.200 0.074 0.000 2.222 614 E HA 0.467 4.819 4.350 0.003 0.000 0.272 614 E C -0.900 175.891 176.600 0.318 0.000 0.982 614 E CA -0.842 55.690 56.400 0.220 0.000 0.842 614 E CB 1.867 31.713 29.700 0.245 0.000 1.144 614 E HN 0.245 nan 8.360 nan 0.000 0.397 615 D N -0.177 120.468 120.400 0.410 0.000 2.671 615 D HA 0.160 4.802 4.640 0.003 0.000 0.273 615 D C -0.215 176.254 176.300 0.282 0.000 1.264 615 D CA -0.588 53.602 54.000 0.316 0.000 0.788 615 D CB 1.733 42.655 40.800 0.204 0.000 1.324 615 D HN 0.313 nan 8.370 nan 0.000 0.424 616 K N -0.228 120.249 120.400 0.128 0.000 2.356 616 K HA 0.208 4.530 4.320 0.003 0.000 0.195 616 K C 0.426 177.145 176.600 0.198 0.000 1.037 616 K CA 0.207 56.556 56.287 0.103 0.000 1.014 616 K CB 0.612 33.076 32.500 -0.060 0.000 0.815 616 K HN 0.303 nan 8.250 nan 0.000 0.507 626 F N 2.461 122.401 119.950 -0.017 0.000 2.541 626 F HA 0.477 5.006 4.527 0.003 0.000 0.378 626 F C 0.615 176.380 175.800 -0.059 0.000 1.068 626 F CA 0.310 58.304 58.000 -0.011 0.000 1.199 626 F CB 0.615 39.608 39.000 -0.011 0.000 1.091 626 F HN 0.482 nan 8.300 nan 0.000 0.555 627 A N 5.285 127.855 122.820 -0.417 0.000 2.305 627 A HA 0.773 5.095 4.320 0.003 0.000 0.322 627 A C -0.404 176.979 177.584 -0.336 0.000 1.187 627 A CA -0.359 51.526 52.037 -0.253 0.000 0.825 627 A CB 0.540 19.549 19.000 0.016 0.000 1.164 627 A HN 1.011 nan 8.150 nan 0.000 0.498 628 A N 1.310 124.039 122.820 -0.153 0.000 2.386 628 A HA 0.570 4.892 4.320 0.003 0.000 0.248 628 A C -0.195 177.482 177.584 0.154 0.000 1.082 628 A CA -0.126 51.922 52.037 0.019 0.000 0.789 628 A CB 0.229 19.207 19.000 -0.037 0.000 1.025 628 A HN 1.221 nan 8.150 nan 0.000 0.490 629 V N 3.168 123.200 119.914 0.196 0.000 2.577 629 V HA 0.516 4.638 4.120 0.003 0.000 0.303 629 V C -0.499 175.738 176.094 0.238 0.000 1.042 629 V CA -0.840 61.592 62.300 0.219 0.000 0.872 629 V CB 1.609 33.526 31.823 0.157 0.000 0.998 629 V HN 0.930 nan 8.190 nan 0.000 0.423 630 R N 4.259 124.916 120.500 0.262 0.000 2.599 630 R HA 0.666 5.008 4.340 0.003 0.000 0.295 630 R C -1.111 175.282 176.300 0.154 0.000 0.963 630 R CA -0.695 55.527 56.100 0.203 0.000 0.883 630 R CB 2.410 32.851 30.300 0.235 0.000 1.171 630 R HN 0.626 nan 8.270 nan 0.000 0.450 631 I N 2.276 122.906 120.570 0.100 0.000 2.330 631 I HA 0.265 4.438 4.170 0.003 0.000 0.289 631 I C 0.670 176.821 176.117 0.056 0.000 1.001 631 I CA -0.762 60.581 61.300 0.073 0.000 1.193 631 I CB 1.382 39.406 38.000 0.039 0.000 1.345 631 I HN 0.261 nan 8.210 nan 0.000 0.461 638 H N 2.518 121.601 119.070 0.022 0.000 2.336 638 H HA 0.428 4.986 4.556 0.003 0.000 0.230 638 H C -2.013 173.325 175.328 0.016 0.000 1.426 638 H CA -1.117 54.940 56.048 0.015 0.000 1.359 638 H CB 0.600 30.375 29.762 0.021 0.000 1.555 638 H HN 0.482 nan 8.280 nan 0.000 0.512 639 P HA -0.060 nan 4.420 nan 0.000 0.271 639 P C 1.481 178.801 177.300 0.034 0.000 1.216 639 P CA -0.211 62.911 63.100 0.037 0.000 0.776 639 P CB 1.948 33.638 31.700 -0.017 0.000 0.881 640 V N 1.844 121.784 119.914 0.044 0.000 2.278 640 V HA -0.171 3.951 4.120 0.003 0.000 0.251 640 V C 1.006 177.093 176.094 -0.013 0.000 1.062 640 V CA 2.876 65.199 62.300 0.039 0.000 1.038 640 V CB -0.528 31.345 31.823 0.083 0.000 0.646 640 V HN 0.943 nan 8.190 nan 0.000 0.447 641 T N -3.442 111.067 114.554 -0.075 0.000 2.762 641 T HA 0.416 4.768 4.350 0.003 0.000 0.301 641 T C 0.222 174.821 174.700 -0.168 0.000 1.299 641 T CA -0.159 61.866 62.100 -0.125 0.000 1.005 641 T CB 1.387 70.152 68.868 -0.172 0.000 1.377 641 T HN 0.081 nan 8.240 nan 0.000 0.504 642 L N 1.460 122.592 121.223 -0.153 0.000 2.044 642 L HA 0.042 4.384 4.340 0.003 0.000 0.205 642 L C 2.668 179.420 176.870 -0.196 0.000 1.075 642 L CA 1.206 55.962 54.840 -0.139 0.000 0.747 642 L CB -0.443 41.558 42.059 -0.097 0.000 0.903 642 L HN 0.709 nan 8.230 nan 0.000 0.435 643 K N -0.344 119.902 120.400 -0.257 0.000 2.442 643 K HA -0.201 4.121 4.320 0.003 0.000 0.198 643 K C 0.907 177.243 176.600 -0.439 0.000 1.044 643 K CA 1.651 57.757 56.287 -0.303 0.000 0.948 643 K CB -0.371 31.999 32.500 -0.217 0.000 0.762 643 K HN 0.208 nan 8.250 nan 0.000 0.472 644 D N 0.725 120.802 120.400 -0.539 0.000 2.355 644 D HA -0.028 4.614 4.640 0.003 0.000 0.218 644 D C 1.482 177.667 176.300 -0.191 0.000 1.004 644 D CA -0.061 53.747 54.000 -0.319 0.000 0.880 644 D CB 0.090 40.784 40.800 -0.177 0.000 0.911 644 D HN 0.187 nan 8.370 nan 0.000 0.528 645 I N 1.228 121.684 120.570 -0.191 0.000 2.179 645 I HA -0.193 3.979 4.170 0.003 0.000 0.242 645 I C 1.373 177.406 176.117 -0.141 0.000 1.088 645 I CA 1.570 62.788 61.300 -0.135 0.000 1.357 645 I CB -0.319 37.611 38.000 -0.117 0.000 1.051 645 I HN 0.082 nan 8.210 nan 0.000 0.409 646 D N -0.196 120.095 120.400 -0.181 0.000 2.340 646 D HA -0.063 4.579 4.640 0.003 0.000 0.220 646 D C 0.238 176.416 176.300 -0.204 0.000 1.039 646 D CA 0.139 54.035 54.000 -0.173 0.000 0.866 646 D CB -0.165 40.537 40.800 -0.163 0.000 0.913 646 D HN 0.185 nan 8.370 nan 0.000 0.523 647 K N 0.494 120.745 120.400 -0.249 0.000 2.098 647 K HA 0.474 4.796 4.320 0.003 0.000 0.261 647 K C 0.157 176.727 176.600 -0.051 0.000 0.987 647 K CA -0.459 55.666 56.287 -0.269 0.000 0.916 647 K CB 1.950 34.016 32.500 -0.724 0.000 1.039 647 K HN 0.101 nan 8.250 nan 0.000 0.455 648 M N 0.759 120.415 119.600 0.093 0.000 2.464 648 M HA 0.261 4.743 4.480 0.003 0.000 0.308 648 M C 0.738 177.139 176.300 0.167 0.000 1.127 648 M CA -0.637 54.704 55.300 0.067 0.000 0.913 648 M CB 2.193 34.749 32.600 -0.074 0.000 1.689 648 M HN 0.761 nan 8.290 nan 0.000 0.445 649 A N 1.481 124.380 122.820 0.132 0.000 2.019 649 A HA -0.118 4.205 4.320 0.003 0.000 0.219 649 A C 1.584 179.075 177.584 -0.155 0.000 1.164 649 A CA 1.530 53.641 52.037 0.124 0.000 0.644 649 A CB -0.489 18.691 19.000 0.300 0.000 0.805 649 A HN 0.886 nan 8.150 nan 0.000 0.449 650 E N 0.369 120.285 120.200 -0.474 0.000 2.409 650 E HA -0.174 4.178 4.350 0.003 0.000 0.198 650 E C 0.246 176.712 176.600 -0.223 0.000 1.024 650 E CA 0.995 56.875 56.400 -0.867 0.000 0.861 650 E CB -0.453 28.726 29.700 -0.868 0.000 0.788 650 E HN 0.552 nan 8.360 nan 0.000 0.521 651 D N 1.483 121.871 120.400 -0.019 0.000 2.269 651 D HA -0.059 4.583 4.640 0.003 0.000 0.208 651 D C 0.926 177.185 176.300 -0.068 0.000 0.963 651 D CA 0.463 54.477 54.000 0.023 0.000 0.864 651 D CB 0.057 40.926 40.800 0.115 0.000 0.936 651 D HN 0.383 nan 8.370 nan 0.000 0.505 652 E N 0.000 120.182 120.200 -0.030 0.000 2.725 652 E HA 0.000 4.352 4.350 0.003 0.000 0.291 652 E CA 0.000 56.435 56.400 0.058 0.000 0.976 652 E CB 0.000 29.784 29.700 0.139 0.000 0.812 652 E HN 0.000 nan 8.360 nan 0.000 0.440