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 1v25_1_B DATA FIRST_RESID 8 DATA SEQUENCE AFPSTMMDEE LNLWDFLERA AALFGRKEVV SRLHTGEVHR TTYAEVYQRA DATA SEQUENCE RRLMGGLRAL GVGVGDRVAT LGFNHFRHLE AYFAVPGMGA VLHTANPRLS DATA SEQUENCE PKEIAYILNH AEDKVLLFDP NLLPLVEAIR GELKTVQHFV VMDEKAPEGY DATA SEQUENCE LAYEEALGEE ADPVRVPERA ACGMAYTTGT TGLPKGVVYS HRALVLHSLA DATA SEQUENCE ASLVDGTALS EKDVVLPVVP MFHVNAWCLP YAATLVGAKQ VLPGPRLDPA DATA SEQUENCE SLVELFDGEG VTFTAGVPTV WLALADYLES TGHRLKTLRR LVVGGSAAPR DATA SEQUENCE SLIARFERMG VEVRQGYGLT ETSPVVVQNF VKSHLESLSE EEKLTLKAKT DATA SEQUENCE GLPIPLVRLR VADEEGRPVP KDGKALGEVQ LKGPWITGGY YGNEEATRSA DATA SEQUENCE LTPDGFFRTG DIAVWDEEGY VEIKDRLKDL IKSGGEWISS VDLENALMGH DATA SEQUENCE XXXXXAAVVA IPHPKWQERP LAVXXXXXXX XXXXXXNEHL LKAGFAKWQL DATA SEQUENCE PDAYVFXXXX XXXXXGKFLK RALREQYKNY YGGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.649 177.584 0.109 0.000 1.274 8 A CA 0.000 52.081 52.037 0.073 0.000 0.836 8 A CB 0.000 19.019 19.000 0.032 0.000 0.831 9 F N 3.862 123.814 119.950 0.003 0.000 2.466 9 F HA 0.549 5.076 4.527 -0.000 0.000 0.363 9 F C -1.688 174.114 175.800 0.004 0.000 1.109 9 F CA -1.224 56.778 58.000 0.003 0.000 1.161 9 F CB 0.541 39.543 39.000 0.003 0.000 1.117 9 F HN 0.371 nan 8.300 nan 0.000 0.539 10 P HA 0.093 nan 4.420 nan 0.000 0.271 10 P C -0.712 176.393 177.300 -0.325 0.000 1.216 10 P CA -0.326 62.603 63.100 -0.285 0.000 0.771 10 P CB 1.167 32.717 31.700 -0.252 0.000 0.864 11 S N 1.054 116.672 115.700 -0.138 0.000 2.592 11 S HA 0.196 4.666 4.470 -0.000 0.000 0.271 11 S C 1.089 175.632 174.600 -0.094 0.000 1.326 11 S CA 0.184 58.334 58.200 -0.084 0.000 1.024 11 S CB 0.175 63.363 63.200 -0.019 0.000 0.921 11 S HN 0.576 nan 8.310 nan 0.000 0.527 12 T N 1.513 116.027 114.554 -0.068 0.000 3.086 12 T HA 0.284 4.634 4.350 -0.000 0.000 0.250 12 T C 0.767 175.449 174.700 -0.029 0.000 1.074 12 T CA -0.397 61.670 62.100 -0.055 0.000 0.988 12 T CB -0.263 68.578 68.868 -0.046 0.000 0.988 12 T HN 0.523 nan 8.240 nan 0.000 0.530 13 M N 1.806 121.395 119.600 -0.018 0.000 2.249 13 M HA 0.314 4.794 4.480 -0.000 0.000 0.340 13 M C 0.537 176.832 176.300 -0.008 0.000 1.166 13 M CA 0.103 55.400 55.300 -0.006 0.000 1.115 13 M CB -0.076 32.526 32.600 0.004 0.000 1.606 13 M HN 0.275 nan 8.290 nan 0.000 0.448 14 M N 2.371 121.970 119.600 -0.003 0.000 2.249 14 M HA -0.052 4.427 4.480 -0.000 0.000 0.340 14 M C 0.201 176.500 176.300 -0.001 0.000 1.166 14 M CA 0.458 55.757 55.300 -0.003 0.000 1.115 14 M CB 0.145 32.746 32.600 0.002 0.000 1.606 14 M HN 0.390 nan 8.290 nan 0.000 0.448 15 D N 3.444 123.841 120.400 -0.005 0.000 2.845 15 D HA 0.077 4.717 4.640 -0.000 0.000 0.235 15 D C -0.307 175.992 176.300 -0.002 0.000 1.158 15 D CA 0.309 54.307 54.000 -0.004 0.000 0.990 15 D CB 0.051 40.846 40.800 -0.009 0.000 1.094 15 D HN 0.380 nan 8.370 nan 0.000 0.486 16 E N 1.225 121.427 120.200 0.003 0.000 2.249 16 E HA 0.143 4.493 4.350 -0.000 0.000 0.280 16 E C 0.585 177.187 176.600 0.004 0.000 1.016 16 E CA -0.375 56.028 56.400 0.005 0.000 0.830 16 E CB 1.684 31.391 29.700 0.013 0.000 1.081 16 E HN 0.207 nan 8.360 nan 0.000 0.395 17 E N 1.936 122.132 120.200 -0.007 0.000 2.349 17 E HA 0.254 4.604 4.350 -0.000 0.000 0.265 17 E C 0.160 176.753 176.600 -0.012 0.000 1.064 17 E CA -0.533 55.858 56.400 -0.015 0.000 0.886 17 E CB 1.124 30.798 29.700 -0.044 0.000 1.036 17 E HN 0.323 nan 8.360 nan 0.000 0.413 18 L N 2.267 123.487 121.223 -0.005 0.000 2.331 18 L HA 0.262 4.602 4.340 -0.000 0.000 0.278 18 L C 0.264 177.104 176.870 -0.049 0.000 1.106 18 L CA -0.102 54.736 54.840 -0.004 0.000 0.824 18 L CB 0.228 42.303 42.059 0.028 0.000 1.142 18 L HN 0.442 nan 8.230 nan 0.000 0.443 19 N N 1.355 120.012 118.700 -0.071 0.000 2.287 19 N HA 0.321 5.061 4.740 -0.000 0.000 0.289 19 N C 0.440 175.911 175.510 -0.065 0.000 1.066 19 N CA -0.629 52.371 53.050 -0.084 0.000 0.841 19 N CB 1.732 40.150 38.487 -0.116 0.000 1.599 19 N HN 0.483 nan 8.380 nan 0.000 0.476 20 L N 1.446 122.727 121.223 0.096 0.000 2.191 20 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 20 L C 1.928 178.917 176.870 0.199 0.000 1.103 20 L CA 0.914 55.645 54.840 -0.180 0.000 0.769 20 L CB -0.184 41.728 42.059 -0.244 0.000 0.908 20 L HN 0.716 nan 8.230 nan 0.000 0.438 21 W N 1.697 123.112 121.300 0.192 0.000 2.350 21 W HA -0.234 4.426 4.660 -0.000 0.000 0.289 21 W C 1.695 178.314 176.519 0.167 0.000 1.215 21 W CA 1.642 59.144 57.345 0.262 0.000 1.236 21 W CB -0.049 29.518 29.460 0.179 0.000 1.130 21 W HN 0.309 nan 8.180 nan 0.000 0.541 22 D N 0.186 120.680 120.400 0.158 0.000 2.182 22 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 22 D C 1.900 178.288 176.300 0.147 0.000 0.986 22 D CA 1.348 55.411 54.000 0.105 0.000 0.847 22 D CB -0.925 39.946 40.800 0.119 0.000 0.942 22 D HN 0.087 nan 8.370 nan 0.000 0.467 23 F N 0.443 120.406 119.950 0.022 0.000 2.102 23 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 23 F C 2.312 177.937 175.800 -0.291 0.000 1.105 23 F CA 0.336 58.326 58.000 -0.016 0.000 1.239 23 F CB -1.202 37.943 39.000 0.241 0.000 0.991 23 F HN 0.001 nan 8.300 nan 0.000 0.474 24 L N 0.279 121.250 121.223 -0.420 0.000 2.109 24 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 24 L C 2.272 178.795 176.870 -0.579 0.000 1.086 24 L CA 1.633 55.998 54.840 -0.791 0.000 0.760 24 L CB -0.877 40.318 42.059 -1.441 0.000 0.910 24 L HN 0.185 nan 8.230 nan 0.000 0.437 25 E N -0.574 119.290 120.200 -0.560 0.000 2.077 25 E HA -0.297 4.053 4.350 -0.000 0.000 0.193 25 E C 2.394 178.767 176.600 -0.378 0.000 0.989 25 E CA 1.165 57.297 56.400 -0.447 0.000 0.800 25 E CB -0.074 29.536 29.700 -0.150 0.000 0.746 25 E HN 0.435 nan 8.360 nan 0.000 0.452 26 R N -0.123 120.236 120.500 -0.235 0.000 2.075 26 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 26 R C 2.215 178.365 176.300 -0.250 0.000 1.126 26 R CA 1.199 57.184 56.100 -0.192 0.000 0.963 26 R CB -0.218 30.045 30.300 -0.062 0.000 0.858 26 R HN 0.179 nan 8.270 nan 0.000 0.435 27 A N 0.668 123.333 122.820 -0.260 0.000 1.902 27 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 27 A C 2.324 179.754 177.584 -0.257 0.000 1.181 27 A CA 1.668 53.535 52.037 -0.282 0.000 0.623 27 A CB -0.756 17.796 19.000 -0.747 0.000 0.818 27 A HN 0.521 nan 8.150 nan 0.000 0.443 28 A N -0.378 122.233 122.820 -0.347 0.000 1.930 28 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 28 A C 2.439 179.836 177.584 -0.312 0.000 1.175 28 A CA 1.970 53.804 52.037 -0.337 0.000 0.627 28 A CB -0.801 17.752 19.000 -0.746 0.000 0.815 28 A HN 0.987 nan 8.150 nan 0.000 0.443 29 A N -0.831 121.771 122.820 -0.364 0.000 1.930 29 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 29 A C 2.040 179.429 177.584 -0.325 0.000 1.176 29 A CA 1.297 53.154 52.037 -0.300 0.000 0.632 29 A CB -0.284 18.554 19.000 -0.271 0.000 0.819 29 A HN 0.435 nan 8.150 nan 0.000 0.445 30 L N -2.954 117.968 121.223 -0.502 0.000 2.425 30 L HA 0.238 4.577 4.340 -0.000 0.000 0.215 30 L C 0.321 176.688 176.870 -0.837 0.000 1.065 30 L CA 0.356 54.713 54.840 -0.805 0.000 0.842 30 L CB 0.198 41.475 42.059 -1.303 0.000 1.033 30 L HN 0.344 nan 8.230 nan 0.000 0.474 31 F N -0.647 119.240 119.950 -0.104 0.000 2.841 31 F HA 0.389 4.916 4.527 -0.000 0.000 0.358 31 F C 1.647 177.470 175.800 0.038 0.000 1.261 31 F CA -0.591 57.384 58.000 -0.042 0.000 1.233 31 F CB -0.406 38.549 39.000 -0.075 0.000 1.008 31 F HN -0.172 nan 8.300 nan 0.000 0.507 32 G N 0.365 109.211 108.800 0.077 0.000 2.448 32 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 32 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 32 G C 1.779 176.755 174.900 0.126 0.000 1.127 32 G CA 0.365 45.520 45.100 0.091 0.000 0.766 32 G HN 0.271 nan 8.290 nan 0.000 0.552 33 R N -0.203 120.363 120.500 0.110 0.000 2.300 33 R HA 0.104 4.444 4.340 -0.000 0.000 0.199 33 R C 0.183 176.534 176.300 0.086 0.000 0.920 33 R CA -0.070 56.076 56.100 0.077 0.000 1.046 33 R CB 0.174 30.503 30.300 0.050 0.000 0.984 33 R HN 0.098 nan 8.270 nan 0.000 0.493 34 K N 2.064 122.565 120.400 0.169 0.000 2.382 34 K HA 0.060 4.380 4.320 -0.000 0.000 0.275 34 K C 0.170 176.755 176.600 -0.026 0.000 1.009 34 K CA 0.418 56.788 56.287 0.137 0.000 0.970 34 K CB 0.621 33.302 32.500 0.301 0.000 0.934 34 K HN 0.137 nan 8.250 nan 0.000 0.479 35 E N 0.903 121.054 120.200 -0.082 0.000 2.313 35 E HA 0.238 4.588 4.350 -0.000 0.000 0.272 35 E C -0.665 175.788 176.600 -0.244 0.000 1.038 35 E CA -0.673 55.638 56.400 -0.147 0.000 0.863 35 E CB 1.454 31.098 29.700 -0.094 0.000 1.060 35 E HN 0.089 nan 8.360 nan 0.000 0.402 36 V N 3.548 123.320 119.914 -0.237 0.000 2.376 36 V HA 0.212 4.332 4.120 -0.000 0.000 0.287 36 V C -0.440 175.604 176.094 -0.085 0.000 1.015 36 V CA -0.696 61.493 62.300 -0.186 0.000 0.834 36 V CB 1.500 33.209 31.823 -0.190 0.000 1.001 36 V HN 0.370 nan 8.190 nan 0.000 0.428 37 V N 4.059 123.940 119.914 -0.054 0.000 2.435 37 V HA 0.636 4.756 4.120 -0.000 0.000 0.290 37 V C 0.069 176.180 176.094 0.028 0.000 1.030 37 V CA -0.229 62.053 62.300 -0.029 0.000 0.881 37 V CB 1.978 33.772 31.823 -0.048 0.000 0.983 37 V HN 0.881 nan 8.190 nan 0.000 0.445 38 S N 4.192 119.944 115.700 0.087 0.000 2.521 38 S HA 0.576 5.045 4.470 -0.000 0.000 0.295 38 S C -0.498 174.158 174.600 0.093 0.000 1.098 38 S CA -0.800 57.481 58.200 0.137 0.000 0.999 38 S CB 1.896 65.285 63.200 0.316 0.000 1.034 38 S HN 0.701 nan 8.310 nan 0.000 0.483 39 R N 3.033 123.560 120.500 0.046 0.000 2.207 39 R HA 0.434 4.774 4.340 -0.000 0.000 0.334 39 R C -0.635 175.680 176.300 0.026 0.000 1.013 39 R CA -0.412 55.694 56.100 0.009 0.000 0.858 39 R CB 0.212 30.485 30.300 -0.046 0.000 1.094 39 R HN 0.632 nan 8.270 nan 0.000 0.457 40 L N 3.700 124.933 121.223 0.016 0.000 2.475 40 L HA 0.093 4.433 4.340 -0.000 0.000 0.253 40 L C 2.135 178.982 176.870 -0.037 0.000 1.198 40 L CA -0.617 54.228 54.840 0.008 0.000 0.814 40 L CB 0.461 42.516 42.059 -0.007 0.000 1.134 40 L HN 0.748 nan 8.230 nan 0.000 0.478 41 H N -0.352 118.669 119.070 -0.080 0.000 2.489 41 H HA -0.122 4.434 4.556 -0.000 0.000 0.295 41 H C 1.467 176.747 175.328 -0.080 0.000 1.082 41 H CA 1.709 57.701 56.048 -0.094 0.000 1.295 41 H CB -0.674 29.040 29.762 -0.081 0.000 1.380 41 H HN 0.783 nan 8.280 nan 0.000 0.548 42 T N -3.997 110.170 114.554 -0.646 0.000 3.081 42 T HA 0.332 4.682 4.350 -0.000 0.000 0.255 42 T C 1.757 176.327 174.700 -0.218 0.000 1.113 42 T CA 0.743 62.572 62.100 -0.451 0.000 1.082 42 T CB -0.070 68.527 68.868 -0.451 0.000 0.939 42 T HN 0.633 nan 8.240 nan 0.000 0.506 43 G N 1.925 110.624 108.800 -0.169 0.000 2.213 43 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.226 43 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.226 43 G C -0.090 174.758 174.900 -0.087 0.000 0.992 43 G CA -0.046 44.987 45.100 -0.112 0.000 0.632 43 G HN 0.967 nan 8.290 nan 0.000 0.511 44 E N 0.577 120.723 120.200 -0.090 0.000 2.398 44 E HA 0.506 4.856 4.350 -0.000 0.000 0.263 44 E C -0.188 176.396 176.600 -0.027 0.000 1.046 44 E CA -0.546 55.821 56.400 -0.055 0.000 0.908 44 E CB 1.709 31.379 29.700 -0.051 0.000 0.963 44 E HN 0.216 nan 8.360 nan 0.000 0.431 45 V N 3.493 123.394 119.914 -0.021 0.000 2.370 45 V HA 0.108 4.228 4.120 -0.000 0.000 0.279 45 V C -0.012 176.084 176.094 0.002 0.000 1.029 45 V CA -0.631 61.663 62.300 -0.010 0.000 0.870 45 V CB 0.885 32.686 31.823 -0.037 0.000 0.984 45 V HN 0.679 nan 8.190 nan 0.000 0.451 46 H N 6.534 125.555 119.070 -0.081 0.000 2.463 46 H HA 0.580 5.136 4.556 -0.000 0.000 0.332 46 H C -0.683 174.526 175.328 -0.199 0.000 1.127 46 H CA -0.807 55.146 56.048 -0.159 0.000 1.238 46 H CB 1.291 30.930 29.762 -0.205 0.000 1.478 46 H HN 0.584 nan 8.280 nan 0.000 0.499 47 R N 3.066 123.107 120.500 -0.764 0.000 2.480 47 R HA 0.323 4.663 4.340 -0.000 0.000 0.306 47 R C -0.569 175.362 176.300 -0.615 0.000 0.958 47 R CA -0.737 55.064 56.100 -0.499 0.000 0.861 47 R CB 2.156 32.273 30.300 -0.304 0.000 1.171 47 R HN 0.611 nan 8.270 nan 0.000 0.445 48 T N 0.386 114.737 114.554 -0.339 0.000 2.696 48 T HA 0.584 4.934 4.350 -0.000 0.000 0.291 48 T C -0.804 173.817 174.700 -0.132 0.000 1.095 48 T CA -0.400 61.577 62.100 -0.206 0.000 1.026 48 T CB 1.922 70.726 68.868 -0.106 0.000 1.390 48 T HN 0.685 nan 8.240 nan 0.000 0.513 49 T N -0.640 113.871 114.554 -0.071 0.000 2.887 49 T HA 0.522 4.872 4.350 -0.000 0.000 0.292 49 T C 0.221 174.913 174.700 -0.015 0.000 1.087 49 T CA -0.596 61.463 62.100 -0.069 0.000 1.009 49 T CB 0.834 69.700 68.868 -0.005 0.000 1.203 49 T HN 0.507 nan 8.240 nan 0.000 0.518 50 Y N 0.666 120.995 120.300 0.048 0.000 2.207 50 Y HA 0.050 4.600 4.550 -0.000 0.000 0.287 50 Y C 3.001 178.933 175.900 0.054 0.000 1.156 50 Y CA 1.776 59.900 58.100 0.041 0.000 1.182 50 Y CB -1.062 37.410 38.460 0.020 0.000 0.979 50 Y HN 0.880 nan 8.280 nan 0.000 0.521 51 A N -0.267 122.673 122.820 0.200 0.000 1.902 51 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 51 A C 2.207 179.918 177.584 0.212 0.000 1.181 51 A CA 1.925 54.057 52.037 0.159 0.000 0.623 51 A CB -0.692 18.364 19.000 0.094 0.000 0.818 51 A HN 0.519 nan 8.150 nan 0.000 0.443 52 E N -0.403 119.894 120.200 0.162 0.000 2.072 52 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 52 E C 1.858 178.581 176.600 0.206 0.000 0.982 52 E CA 1.165 57.660 56.400 0.158 0.000 0.803 52 E CB -0.099 29.663 29.700 0.104 0.000 0.755 52 E HN 0.277 nan 8.360 nan 0.000 0.453 53 V N 0.774 120.818 119.914 0.217 0.000 2.332 53 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 53 V C 2.103 178.352 176.094 0.258 0.000 1.055 53 V CA 2.112 64.567 62.300 0.257 0.000 1.038 53 V CB -0.720 31.250 31.823 0.245 0.000 0.651 53 V HN 0.440 nan 8.190 nan 0.000 0.450 54 Y N 0.700 121.059 120.300 0.098 0.000 2.097 54 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 54 Y C 2.798 178.802 175.900 0.172 0.000 1.152 54 Y CA 2.387 60.513 58.100 0.042 0.000 1.136 54 Y CB -0.389 38.053 38.460 -0.030 0.000 0.975 54 Y HN 0.200 nan 8.280 nan 0.000 0.498 55 Q N 0.712 120.611 119.800 0.164 0.000 2.084 55 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 55 Q C 2.292 178.341 176.000 0.081 0.000 0.978 55 Q CA 1.925 57.778 55.803 0.083 0.000 0.844 55 Q CB -0.214 28.617 28.738 0.155 0.000 0.898 55 Q HN 0.540 nan 8.270 nan 0.000 0.426 56 R N -0.408 120.182 120.500 0.150 0.000 2.115 56 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 56 R C 2.292 178.700 176.300 0.181 0.000 1.100 56 R CA 0.923 57.127 56.100 0.173 0.000 0.980 56 R CB -0.219 30.232 30.300 0.252 0.000 0.875 56 R HN 0.265 nan 8.270 nan 0.000 0.445 57 A N 0.998 123.954 122.820 0.226 0.000 1.969 57 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 57 A C 1.977 179.701 177.584 0.234 0.000 1.169 57 A CA 1.005 53.227 52.037 0.309 0.000 0.635 57 A CB -0.226 19.055 19.000 0.469 0.000 0.810 57 A HN 0.187 nan 8.150 nan 0.000 0.445 58 R N -0.678 119.907 120.500 0.142 0.000 2.092 58 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 58 R C 2.383 178.672 176.300 -0.018 0.000 1.119 58 R CA 1.367 57.467 56.100 0.000 0.000 0.970 58 R CB -0.232 30.024 30.300 -0.072 0.000 0.864 58 R HN 0.461 nan 8.270 nan 0.000 0.440 59 R N 0.179 120.685 120.500 0.010 0.000 2.115 59 R HA -0.092 4.248 4.340 -0.000 0.000 0.230 59 R C 2.152 178.427 176.300 -0.041 0.000 1.111 59 R CA 0.824 56.917 56.100 -0.012 0.000 0.976 59 R CB -0.318 29.986 30.300 0.006 0.000 0.870 59 R HN 0.109 nan 8.270 nan 0.000 0.445 60 L N 0.848 122.059 121.223 -0.020 0.000 2.093 60 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 60 L C 2.076 178.920 176.870 -0.043 0.000 1.085 60 L CA 1.626 56.431 54.840 -0.057 0.000 0.755 60 L CB -0.247 41.821 42.059 0.015 0.000 0.904 60 L HN 0.137 nan 8.230 nan 0.000 0.435 61 M N -1.228 118.355 119.600 -0.028 0.000 2.117 61 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 61 M C 2.162 178.417 176.300 -0.075 0.000 1.065 61 M CA 1.781 57.042 55.300 -0.064 0.000 1.114 61 M CB -1.155 31.366 32.600 -0.133 0.000 1.361 61 M HN 0.444 nan 8.290 nan 0.000 0.408 62 G N -0.170 108.586 108.800 -0.074 0.000 2.418 62 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 62 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 62 G C 1.499 176.355 174.900 -0.073 0.000 1.158 62 G CA 0.966 46.025 45.100 -0.069 0.000 0.771 62 G HN 0.561 nan 8.290 nan 0.000 0.545 63 G N 0.786 109.534 108.800 -0.086 0.000 2.402 63 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 63 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 63 G C 1.803 176.634 174.900 -0.115 0.000 1.162 63 G CA 0.641 45.676 45.100 -0.108 0.000 0.777 63 G HN 0.413 nan 8.290 nan 0.000 0.539 64 L N -0.295 120.870 121.223 -0.097 0.000 2.093 64 L HA 0.039 4.378 4.340 -0.000 0.000 0.208 64 L C 2.898 179.728 176.870 -0.067 0.000 1.085 64 L CA 0.958 55.750 54.840 -0.081 0.000 0.755 64 L CB -0.285 41.746 42.059 -0.046 0.000 0.904 64 L HN 0.178 nan 8.230 nan 0.000 0.435 65 R N 0.393 120.856 120.500 -0.062 0.000 2.081 65 R HA -0.182 4.157 4.340 -0.000 0.000 0.235 65 R C 2.289 178.558 176.300 -0.052 0.000 1.131 65 R CA 1.494 57.563 56.100 -0.051 0.000 0.960 65 R CB -0.262 30.006 30.300 -0.054 0.000 0.856 65 R HN 0.330 nan 8.270 nan 0.000 0.436 66 A N 0.565 123.345 122.820 -0.066 0.000 2.070 66 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 66 A C 1.959 179.492 177.584 -0.085 0.000 1.159 66 A CA 0.991 52.988 52.037 -0.067 0.000 0.656 66 A CB -0.305 18.651 19.000 -0.073 0.000 0.800 66 A HN 0.366 nan 8.150 nan 0.000 0.453 67 L N -1.534 119.614 121.223 -0.125 0.000 2.591 67 L HA 0.199 4.539 4.340 -0.000 0.000 0.228 67 L C 1.594 178.470 176.870 0.009 0.000 1.133 67 L CA 0.571 55.296 54.840 -0.192 0.000 0.880 67 L CB -0.038 41.798 42.059 -0.371 0.000 1.033 67 L HN 0.568 nan 8.230 nan 0.000 0.450 68 G N -0.179 108.623 108.800 0.003 0.000 2.144 68 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 68 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 68 G C 0.133 175.042 174.900 0.016 0.000 0.988 68 G CA -0.190 44.925 45.100 0.026 0.000 0.659 68 G HN 0.050 nan 8.290 nan 0.000 0.522 69 V N 1.241 121.157 119.914 0.002 0.000 2.439 69 V HA 0.597 4.717 4.120 -0.000 0.000 0.271 69 V C 1.234 177.320 176.094 -0.012 0.000 1.040 69 V CA 0.733 63.032 62.300 -0.002 0.000 1.002 69 V CB 0.936 32.756 31.823 -0.005 0.000 1.000 69 V HN 0.721 nan 8.190 nan 0.000 0.477 70 G N 3.423 112.217 108.800 -0.011 0.000 2.735 70 G HA2 0.573 4.532 3.960 -0.000 0.000 0.301 70 G HA3 0.573 4.532 3.960 -0.000 0.000 0.301 70 G C -0.583 174.308 174.900 -0.015 0.000 1.279 70 G CA -0.826 44.265 45.100 -0.016 0.000 1.019 70 G HN 0.498 nan 8.290 nan 0.000 0.497 71 V N 0.817 120.720 119.914 -0.018 0.000 2.557 71 V HA 0.378 4.497 4.120 -0.000 0.000 0.301 71 V C 1.676 177.762 176.094 -0.013 0.000 1.026 71 V CA 1.912 64.203 62.300 -0.015 0.000 1.137 71 V CB 0.265 32.076 31.823 -0.019 0.000 0.917 71 V HN 1.914 nan 8.190 nan 0.000 0.484 72 G N 3.798 112.591 108.800 -0.011 0.000 2.241 72 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 72 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 72 G C 0.005 174.887 174.900 -0.030 0.000 0.998 72 G CA 0.074 45.161 45.100 -0.022 0.000 0.621 72 G HN 0.672 nan 8.290 nan 0.000 0.519 73 D N 0.746 121.135 120.400 -0.020 0.000 2.399 73 D HA 0.525 5.165 4.640 -0.000 0.000 0.241 73 D C 0.892 177.182 176.300 -0.016 0.000 1.133 73 D CA 0.146 54.135 54.000 -0.018 0.000 0.890 73 D CB 0.526 41.321 40.800 -0.009 0.000 1.201 73 D HN 0.222 nan 8.370 nan 0.000 0.432 74 R N 0.462 120.953 120.500 -0.015 0.000 2.265 74 R HA 0.487 4.827 4.340 -0.000 0.000 0.319 74 R C -0.877 175.444 176.300 0.035 0.000 1.006 74 R CA -0.559 55.544 56.100 0.006 0.000 0.880 74 R CB 1.232 31.527 30.300 -0.008 0.000 1.077 74 R HN 0.095 nan 8.270 nan 0.000 0.454 75 V N 2.994 122.943 119.914 0.058 0.000 2.409 75 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 75 V C -0.128 176.020 176.094 0.090 0.000 1.020 75 V CA -0.912 61.425 62.300 0.061 0.000 0.848 75 V CB 1.598 33.456 31.823 0.057 0.000 0.990 75 V HN 0.895 nan 8.190 nan 0.000 0.430 76 A N 3.873 126.733 122.820 0.067 0.000 2.295 76 A HA 0.905 5.225 4.320 -0.000 0.000 0.318 76 A C 0.277 177.868 177.584 0.012 0.000 1.134 76 A CA -0.357 51.697 52.037 0.028 0.000 0.827 76 A CB 1.122 20.104 19.000 -0.030 0.000 1.136 76 A HN 0.912 nan 8.150 nan 0.000 0.493 77 T N -0.577 113.969 114.554 -0.013 0.000 2.863 77 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 77 T C -0.709 173.955 174.700 -0.060 0.000 1.009 77 T CA -0.501 61.579 62.100 -0.032 0.000 0.989 77 T CB 1.017 69.852 68.868 -0.054 0.000 1.004 77 T HN 0.434 nan 8.240 nan 0.000 0.455 78 L N 2.355 123.542 121.223 -0.059 0.000 2.470 78 L HA 0.684 5.024 4.340 -0.000 0.000 0.253 78 L C 0.308 177.122 176.870 -0.093 0.000 1.163 78 L CA -0.382 54.399 54.840 -0.098 0.000 0.932 78 L CB 0.704 42.726 42.059 -0.061 0.000 1.213 78 L HN 1.137 nan 8.230 nan 0.000 0.485 79 G N 0.326 109.049 108.800 -0.129 0.000 2.608 79 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 79 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 79 G C -1.526 173.386 174.900 0.020 0.000 1.425 79 G CA -0.451 44.611 45.100 -0.064 0.000 0.787 79 G HN 0.026 nan 8.290 nan 0.000 0.484 80 F N -0.437 119.676 119.950 0.272 0.000 2.456 80 F HA 0.456 4.983 4.527 -0.000 0.000 0.364 80 F C 0.573 176.356 175.800 -0.029 0.000 1.092 80 F CA -0.957 57.142 58.000 0.166 0.000 1.125 80 F CB 0.850 39.930 39.000 0.133 0.000 1.543 80 F HN 0.135 nan 8.300 nan 0.000 0.504 81 N N 1.189 119.944 118.700 0.091 0.000 2.401 81 N HA 0.184 4.923 4.740 -0.000 0.000 0.255 81 N C -0.848 174.638 175.510 -0.039 0.000 1.110 81 N CA -0.052 52.910 53.050 -0.146 0.000 0.949 81 N CB -0.415 37.967 38.487 -0.175 0.000 1.110 81 N HN 0.594 nan 8.380 nan 0.000 0.490 82 H N -0.697 118.364 119.070 -0.015 0.000 2.932 82 H HA 0.092 4.648 4.556 -0.000 0.000 0.307 82 H C 0.355 175.668 175.328 -0.025 0.000 1.391 82 H CA -0.767 55.288 56.048 0.011 0.000 1.130 82 H CB 0.095 29.849 29.762 -0.014 0.000 1.836 82 H HN 0.230 nan 8.280 nan 0.000 0.522 83 F N 1.053 121.061 119.950 0.098 0.000 2.202 83 F HA 0.089 4.616 4.527 -0.000 0.000 0.301 83 F C 2.088 177.918 175.800 0.049 0.000 1.082 83 F CA 0.786 58.807 58.000 0.036 0.000 1.313 83 F CB -0.632 38.385 39.000 0.028 0.000 1.024 83 F HN 0.289 nan 8.300 nan 0.000 0.495 84 R N -0.474 119.584 120.500 -0.737 0.000 2.090 84 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 84 R C 2.185 178.353 176.300 -0.221 0.000 1.110 84 R CA 1.483 57.170 56.100 -0.688 0.000 0.973 84 R CB -0.894 28.710 30.300 -1.160 0.000 0.869 84 R HN 0.504 nan 8.270 nan 0.000 0.440 85 H N 0.145 119.003 119.070 -0.354 0.000 2.389 85 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 85 H C 2.067 177.259 175.328 -0.227 0.000 1.081 85 H CA 0.944 56.789 56.048 -0.338 0.000 1.345 85 H CB 0.274 29.639 29.762 -0.662 0.000 1.393 85 H HN 0.032 nan 8.280 nan 0.000 0.520 86 L N 1.011 122.170 121.223 -0.107 0.000 2.093 86 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 86 L C 1.935 178.964 176.870 0.265 0.000 1.085 86 L CA 1.629 56.433 54.840 -0.060 0.000 0.755 86 L CB -0.254 41.809 42.059 0.007 0.000 0.904 86 L HN 0.247 nan 8.230 nan 0.000 0.435 87 E N -0.479 119.884 120.200 0.272 0.000 2.077 87 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 87 E C 2.178 179.029 176.600 0.419 0.000 0.989 87 E CA 1.123 57.753 56.400 0.383 0.000 0.800 87 E CB -0.283 29.629 29.700 0.355 0.000 0.746 87 E HN 0.651 nan 8.360 nan 0.000 0.452 88 A N 0.214 123.250 122.820 0.361 0.000 1.969 88 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 88 A C 1.789 179.597 177.584 0.373 0.000 1.169 88 A CA 0.944 53.192 52.037 0.352 0.000 0.635 88 A CB -0.732 18.454 19.000 0.311 0.000 0.810 88 A HN 0.338 nan 8.150 nan 0.000 0.445 89 Y N -2.140 118.233 120.300 0.122 0.000 2.333 89 Y HA -0.220 4.330 4.550 -0.000 0.000 0.290 89 Y C 1.835 177.721 175.900 -0.024 0.000 1.144 89 Y CA 1.282 59.343 58.100 -0.064 0.000 1.228 89 Y CB -0.071 38.124 38.460 -0.442 0.000 0.985 89 Y HN 0.402 nan 8.280 nan 0.000 0.542 90 F N -2.450 117.789 119.950 0.481 0.000 2.500 90 F HA 0.166 4.693 4.527 -0.000 0.000 0.285 90 F C 2.214 178.366 175.800 0.587 0.000 1.088 90 F CA 0.593 58.916 58.000 0.538 0.000 1.432 90 F CB -0.762 38.503 39.000 0.442 0.000 1.131 90 F HN -0.130 nan 8.300 nan 0.000 0.582 91 A N 0.061 123.260 122.820 0.631 0.000 1.898 91 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 91 A C 2.250 179.965 177.584 0.219 0.000 1.181 91 A CA 1.928 54.204 52.037 0.398 0.000 0.620 91 A CB -1.122 18.055 19.000 0.296 0.000 0.819 91 A HN 0.133 nan 8.150 nan 0.000 0.442 92 V N 0.471 120.511 119.914 0.210 0.000 2.261 92 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 92 V C -0.248 175.914 176.094 0.114 0.000 1.047 92 V CA 2.456 64.832 62.300 0.126 0.000 1.015 92 V CB -1.571 30.318 31.823 0.110 0.000 0.642 92 V HN 0.387 nan 8.190 nan 0.000 0.446 93 P HA -0.047 nan 4.420 nan 0.000 0.221 93 P C 1.617 179.090 177.300 0.288 0.000 1.150 93 P CA 1.566 64.765 63.100 0.166 0.000 0.800 93 P CB -0.268 31.456 31.700 0.040 0.000 0.787 94 G N 0.610 109.566 108.800 0.260 0.000 2.443 94 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 94 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 94 G C 1.245 176.047 174.900 -0.163 0.000 1.131 94 G CA 0.664 45.803 45.100 0.064 0.000 0.775 94 G HN 0.359 nan 8.290 nan 0.000 0.547 95 M N -0.996 118.555 119.600 -0.082 0.000 2.431 95 M HA 0.455 4.935 4.480 -0.000 0.000 0.237 95 M C 1.366 177.640 176.300 -0.043 0.000 1.130 95 M CA 0.770 56.010 55.300 -0.101 0.000 1.002 95 M CB 0.406 32.956 32.600 -0.084 0.000 1.524 95 M HN 0.285 nan 8.290 nan 0.000 0.482 96 G N 1.053 109.862 108.800 0.014 0.000 2.143 96 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.249 96 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.249 96 G C 0.145 175.070 174.900 0.042 0.000 0.981 96 G CA 0.157 45.281 45.100 0.039 0.000 0.665 96 G HN 0.938 nan 8.290 nan 0.000 0.528 97 A N -1.056 121.788 122.820 0.039 0.000 2.239 97 A HA 0.883 5.203 4.320 -0.000 0.000 0.303 97 A C 0.186 177.782 177.584 0.020 0.000 1.114 97 A CA 0.060 52.110 52.037 0.022 0.000 0.871 97 A CB 1.383 20.393 19.000 0.018 0.000 1.201 97 A HN 1.170 nan 8.150 nan 0.000 0.506 98 V N 0.619 120.535 119.914 0.003 0.000 2.378 98 V HA 0.329 4.449 4.120 -0.000 0.000 0.288 98 V C -0.594 175.515 176.094 0.024 0.000 1.016 98 V CA -0.284 62.008 62.300 -0.013 0.000 0.840 98 V CB 1.017 32.807 31.823 -0.054 0.000 0.994 98 V HN 0.698 nan 8.190 nan 0.000 0.431 99 L N 5.325 126.563 121.223 0.025 0.000 2.295 99 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 99 L C 0.202 177.152 176.870 0.133 0.000 1.079 99 L CA 0.280 55.156 54.840 0.061 0.000 0.830 99 L CB 0.139 42.197 42.059 -0.002 0.000 1.200 99 L HN 0.756 nan 8.230 nan 0.000 0.438 100 H N 4.057 123.158 119.070 0.053 0.000 2.787 100 H HA 0.238 4.794 4.556 -0.000 0.000 0.275 100 H C -0.602 174.806 175.328 0.132 0.000 1.183 100 H CA -0.642 55.464 56.048 0.096 0.000 1.290 100 H CB 0.485 30.301 29.762 0.089 0.000 1.438 100 H HN 0.732 nan 8.280 nan 0.000 0.487 101 T N 2.684 117.356 114.554 0.197 0.000 2.727 101 T HA 0.503 4.853 4.350 -0.000 0.000 0.295 101 T C 0.373 175.111 174.700 0.063 0.000 0.915 101 T CA -0.873 61.322 62.100 0.158 0.000 1.066 101 T CB 1.036 70.050 68.868 0.243 0.000 0.891 101 T HN 0.561 nan 8.240 nan 0.000 0.516 102 A N 3.759 126.507 122.820 -0.119 0.000 2.312 102 A HA 0.627 4.946 4.320 -0.000 0.000 0.328 102 A C 0.300 177.763 177.584 -0.200 0.000 1.158 102 A CA -1.005 50.920 52.037 -0.186 0.000 0.821 102 A CB 0.708 19.499 19.000 -0.348 0.000 1.170 102 A HN 0.784 nan 8.150 nan 0.000 0.490 103 N N 2.221 120.791 118.700 -0.218 0.000 2.420 103 N HA 0.285 5.025 4.740 -0.000 0.000 0.249 103 N C -1.904 173.285 175.510 -0.534 0.000 1.033 103 N CA -2.137 50.579 53.050 -0.556 0.000 0.944 103 N CB 1.421 39.839 38.487 -0.116 0.000 1.113 103 N HN 0.287 nan 8.380 nan 0.000 0.502 104 P HA 0.006 nan 4.420 nan 0.000 0.233 104 P C 0.510 177.648 177.300 -0.271 0.000 1.167 104 P CA 0.695 63.530 63.100 -0.442 0.000 0.770 104 P CB 0.470 31.884 31.700 -0.477 0.000 0.837 105 R N -0.820 119.504 120.500 -0.293 0.000 2.275 105 R HA 0.176 4.516 4.340 -0.000 0.000 0.199 105 R C 1.201 177.508 176.300 0.013 0.000 0.989 105 R CA 0.001 56.021 56.100 -0.134 0.000 1.016 105 R CB -0.330 29.866 30.300 -0.174 0.000 0.918 105 R HN 0.261 nan 8.270 nan 0.000 0.473 106 L N 1.039 122.273 121.223 0.019 0.000 2.476 106 L HA 0.069 4.409 4.340 -0.000 0.000 0.255 106 L C 0.949 177.880 176.870 0.102 0.000 1.218 106 L CA -0.361 54.551 54.840 0.120 0.000 0.819 106 L CB 0.481 42.590 42.059 0.083 0.000 1.119 106 L HN 0.115 nan 8.230 nan 0.000 0.485 107 S N 0.155 115.920 115.700 0.108 0.000 2.572 107 S HA 0.126 4.595 4.470 -0.000 0.000 0.279 107 S C -1.841 172.767 174.600 0.013 0.000 1.341 107 S CA -1.024 57.208 58.200 0.052 0.000 1.043 107 S CB 0.980 64.180 63.200 0.000 0.000 0.887 107 S HN 0.387 nan 8.310 nan 0.000 0.516 108 P HA -0.144 nan 4.420 nan 0.000 0.217 108 P C 1.332 178.625 177.300 -0.012 0.000 1.151 108 P CA 1.401 64.492 63.100 -0.016 0.000 0.849 108 P CB 0.065 31.752 31.700 -0.022 0.000 0.787 109 K N -0.157 120.231 120.400 -0.020 0.000 2.097 109 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 109 K C 2.014 178.625 176.600 0.018 0.000 1.050 109 K CA 1.394 57.672 56.287 -0.016 0.000 0.938 109 K CB -0.163 32.302 32.500 -0.059 0.000 0.718 109 K HN 0.070 nan 8.250 nan 0.000 0.442 110 E N 0.262 120.469 120.200 0.012 0.000 2.072 110 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 110 E C 1.940 178.579 176.600 0.066 0.000 0.985 110 E CA 1.273 57.702 56.400 0.048 0.000 0.801 110 E CB 0.008 29.736 29.700 0.047 0.000 0.750 110 E HN 0.307 nan 8.360 nan 0.000 0.452 111 I N 0.859 121.442 120.570 0.020 0.000 2.226 111 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 111 I C 2.479 178.590 176.117 -0.010 0.000 1.100 111 I CA 0.941 62.231 61.300 -0.017 0.000 1.374 111 I CB -0.282 37.690 38.000 -0.047 0.000 1.057 111 I HN 0.091 nan 8.210 nan 0.000 0.413 112 A N 0.117 122.947 122.820 0.015 0.000 1.930 112 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 112 A C 2.303 179.909 177.584 0.037 0.000 1.175 112 A CA 1.400 53.451 52.037 0.023 0.000 0.627 112 A CB -0.980 18.038 19.000 0.028 0.000 0.815 112 A HN 0.545 nan 8.150 nan 0.000 0.443 113 Y N 1.368 121.640 120.300 -0.048 0.000 2.145 113 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 113 Y C 2.106 177.955 175.900 -0.085 0.000 1.145 113 Y CA 2.137 60.208 58.100 -0.049 0.000 1.148 113 Y CB -0.255 38.168 38.460 -0.063 0.000 0.981 113 Y HN 0.413 nan 8.280 nan 0.000 0.507 114 I N -1.684 118.736 120.570 -0.250 0.000 2.394 114 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 114 I C 1.882 177.826 176.117 -0.288 0.000 1.136 114 I CA 1.423 62.375 61.300 -0.580 0.000 1.425 114 I CB -0.652 36.981 38.000 -0.611 0.000 1.079 114 I HN 0.232 nan 8.210 nan 0.000 0.425 115 L N 1.193 122.357 121.223 -0.098 0.000 2.093 115 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 115 L C 2.351 179.199 176.870 -0.037 0.000 1.085 115 L CA 1.122 55.961 54.840 -0.001 0.000 0.755 115 L CB -0.825 41.228 42.059 -0.010 0.000 0.904 115 L HN 0.333 nan 8.230 nan 0.000 0.435 116 N N -1.222 117.426 118.700 -0.086 0.000 2.270 116 N HA -0.184 4.556 4.740 -0.000 0.000 0.181 116 N C 1.825 177.274 175.510 -0.102 0.000 1.016 116 N CA 0.926 53.929 53.050 -0.080 0.000 0.870 116 N CB -0.305 38.144 38.487 -0.062 0.000 0.979 116 N HN 0.397 nan 8.380 nan 0.000 0.431 117 H N 0.655 119.538 119.070 -0.312 0.000 2.363 117 H HA 0.105 4.661 4.556 -0.000 0.000 0.301 117 H C 1.365 176.710 175.328 0.027 0.000 1.074 117 H CA 1.387 57.288 56.048 -0.244 0.000 1.354 117 H CB 0.313 29.765 29.762 -0.516 0.000 1.397 117 H HN 0.149 nan 8.280 nan 0.000 0.516 118 A N 0.539 123.406 122.820 0.078 0.000 2.167 118 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 118 A C 0.763 178.336 177.584 -0.018 0.000 1.151 118 A CA 0.682 52.743 52.037 0.039 0.000 0.735 118 A CB -0.147 18.781 19.000 -0.121 0.000 0.802 118 A HN 0.639 nan 8.150 nan 0.000 0.467 119 E N 0.835 121.024 120.200 -0.018 0.000 2.320 119 E HA -0.146 4.204 4.350 -0.000 0.000 0.234 119 E C -1.200 175.389 176.600 -0.019 0.000 1.183 119 E CA 0.506 56.891 56.400 -0.025 0.000 0.713 119 E CB -1.515 28.170 29.700 -0.025 0.000 1.226 119 E HN 0.692 nan 8.360 nan 0.000 0.382 120 D N 0.537 120.938 120.400 0.003 0.000 2.455 120 D HA -0.025 4.615 4.640 -0.000 0.000 0.241 120 D C 1.130 177.406 176.300 -0.040 0.000 1.138 120 D CA 0.526 54.532 54.000 0.011 0.000 0.877 120 D CB 1.113 41.946 40.800 0.056 0.000 1.187 120 D HN 0.219 nan 8.370 nan 0.000 0.451 121 K N 1.043 121.421 120.400 -0.036 0.000 2.244 121 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 121 K C -0.024 176.530 176.600 -0.078 0.000 1.052 121 K CA 0.363 56.618 56.287 -0.053 0.000 0.980 121 K CB 0.636 33.127 32.500 -0.015 0.000 0.838 121 K HN 0.188 nan 8.250 nan 0.000 0.481 122 V N 2.108 121.991 119.914 -0.051 0.000 2.656 122 V HA 0.366 4.486 4.120 -0.000 0.000 0.307 122 V C -1.283 174.773 176.094 -0.063 0.000 1.051 122 V CA -1.067 61.203 62.300 -0.051 0.000 0.893 122 V CB 1.752 33.590 31.823 0.024 0.000 0.999 122 V HN 0.116 nan 8.190 nan 0.000 0.426 123 L N 5.272 126.437 121.223 -0.098 0.000 2.349 123 L HA 0.711 5.051 4.340 -0.000 0.000 0.278 123 L C -1.212 175.773 176.870 0.192 0.000 0.996 123 L CA -0.137 54.711 54.840 0.013 0.000 0.825 123 L CB 1.378 43.409 42.059 -0.048 0.000 1.243 123 L HN 0.535 nan 8.230 nan 0.000 0.412 124 L N 6.686 128.005 121.223 0.159 0.000 2.282 124 L HA 0.661 5.001 4.340 -0.000 0.000 0.288 124 L C -0.637 176.333 176.870 0.166 0.000 1.033 124 L CA 0.063 54.985 54.840 0.136 0.000 0.807 124 L CB 1.203 43.308 42.059 0.076 0.000 1.209 124 L HN 0.620 nan 8.230 nan 0.000 0.423 125 F N -0.485 119.463 119.950 -0.003 0.000 2.631 125 F HA 0.625 5.152 4.527 -0.000 0.000 0.308 125 F C -0.680 175.083 175.800 -0.062 0.000 1.097 125 F CA -1.386 56.588 58.000 -0.044 0.000 0.952 125 F CB 0.845 39.839 39.000 -0.011 0.000 1.307 125 F HN 0.229 nan 8.300 nan 0.000 0.450 126 D N 4.021 124.457 120.400 0.059 0.000 2.382 126 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 126 D C -1.579 174.664 176.300 -0.095 0.000 1.120 126 D CA -1.830 52.133 54.000 -0.061 0.000 0.890 126 D CB 1.150 42.003 40.800 0.089 0.000 1.201 126 D HN 0.302 nan 8.370 nan 0.000 0.433 127 P HA -0.191 nan 4.420 nan 0.000 0.216 127 P C 0.596 177.765 177.300 -0.218 0.000 1.150 127 P CA 1.319 64.256 63.100 -0.272 0.000 0.843 127 P CB -0.035 31.462 31.700 -0.337 0.000 0.787 128 N N -0.506 117.982 118.700 -0.353 0.000 2.550 128 N HA -0.052 4.688 4.740 -0.000 0.000 0.186 128 N C 1.240 176.737 175.510 -0.020 0.000 1.110 128 N CA 0.438 53.377 53.050 -0.184 0.000 0.912 128 N CB -0.899 37.477 38.487 -0.185 0.000 0.968 128 N HN 0.158 nan 8.380 nan 0.000 0.448 129 L N -0.101 121.151 121.223 0.048 0.000 2.818 129 L HA 0.270 4.609 4.340 -0.000 0.000 0.243 129 L C 1.359 178.240 176.870 0.018 0.000 1.185 129 L CA -0.277 54.601 54.840 0.064 0.000 0.988 129 L CB 0.130 42.247 42.059 0.096 0.000 1.292 129 L HN 0.176 nan 8.230 nan 0.000 0.519 130 L N 1.525 122.778 121.223 0.050 0.000 2.042 130 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 130 L C -0.523 176.271 176.870 -0.126 0.000 1.076 130 L CA 2.168 56.989 54.840 -0.032 0.000 0.749 130 L CB -1.017 41.023 42.059 -0.032 0.000 0.893 130 L HN 0.111 nan 8.230 nan 0.000 0.432 131 P HA -0.179 nan 4.420 nan 0.000 0.215 131 P C 1.929 179.182 177.300 -0.079 0.000 1.153 131 P CA 1.295 64.356 63.100 -0.065 0.000 0.853 131 P CB -0.126 31.553 31.700 -0.035 0.000 0.788 132 L N -0.632 120.539 121.223 -0.087 0.000 2.017 132 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 132 L C 2.130 178.915 176.870 -0.143 0.000 1.073 132 L CA 1.864 56.647 54.840 -0.095 0.000 0.745 132 L CB -1.138 40.871 42.059 -0.084 0.000 0.894 132 L HN -0.206 nan 8.230 nan 0.000 0.432 133 V N 0.034 119.800 119.914 -0.247 0.000 2.343 133 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 133 V C 2.588 178.560 176.094 -0.203 0.000 1.051 133 V CA 1.995 64.100 62.300 -0.325 0.000 1.036 133 V CB -0.747 30.596 31.823 -0.801 0.000 0.654 133 V HN 0.501 nan 8.190 nan 0.000 0.451 134 E N 0.309 120.414 120.200 -0.159 0.000 2.110 134 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 134 E C 2.307 178.862 176.600 -0.076 0.000 0.988 134 E CA 1.402 57.754 56.400 -0.081 0.000 0.804 134 E CB -0.249 29.422 29.700 -0.049 0.000 0.745 134 E HN 0.609 nan 8.360 nan 0.000 0.458 135 A N 1.523 124.298 122.820 -0.074 0.000 2.014 135 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 135 A C 2.157 179.711 177.584 -0.051 0.000 1.163 135 A CA 0.980 52.984 52.037 -0.054 0.000 0.652 135 A CB -0.501 18.471 19.000 -0.046 0.000 0.808 135 A HN 0.357 nan 8.150 nan 0.000 0.449 136 I N -4.935 115.600 120.570 -0.058 0.000 3.956 136 I HA 0.286 4.456 4.170 -0.000 0.000 0.333 136 I C 1.867 177.969 176.117 -0.024 0.000 1.302 136 I CA 0.084 61.362 61.300 -0.036 0.000 1.122 136 I CB 0.016 37.998 38.000 -0.030 0.000 1.013 136 I HN 0.104 nan 8.210 nan 0.000 0.405 137 R N 1.971 122.433 120.500 -0.064 0.000 2.091 137 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 137 R C 2.264 178.542 176.300 -0.037 0.000 1.136 137 R CA 1.903 57.949 56.100 -0.091 0.000 0.959 137 R CB -0.526 29.613 30.300 -0.268 0.000 0.856 137 R HN 0.561 nan 8.270 nan 0.000 0.437 138 G N -0.101 108.673 108.800 -0.044 0.000 2.448 138 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 138 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 138 G C 1.091 175.989 174.900 -0.004 0.000 1.127 138 G CA 0.497 45.582 45.100 -0.026 0.000 0.766 138 G HN 0.287 nan 8.290 nan 0.000 0.552 139 E N -0.319 119.883 120.200 0.003 0.000 2.299 139 E HA 0.160 4.510 4.350 -0.000 0.000 0.193 139 E C 1.126 177.741 176.600 0.026 0.000 0.998 139 E CA -0.156 56.251 56.400 0.012 0.000 0.851 139 E CB -0.062 29.644 29.700 0.010 0.000 0.795 139 E HN 0.346 nan 8.360 nan 0.000 0.492 140 L N 0.938 122.189 121.223 0.047 0.000 2.367 140 L HA 0.184 4.524 4.340 -0.000 0.000 0.275 140 L C 1.157 178.054 176.870 0.046 0.000 1.129 140 L CA 0.220 55.097 54.840 0.062 0.000 0.839 140 L CB 0.857 42.996 42.059 0.134 0.000 1.133 140 L HN -0.068 nan 8.230 nan 0.000 0.453 141 K N 0.238 120.649 120.400 0.019 0.000 2.391 141 K HA 0.057 4.376 4.320 -0.000 0.000 0.197 141 K C 1.346 177.940 176.600 -0.011 0.000 1.087 141 K CA 0.644 56.934 56.287 0.004 0.000 1.012 141 K CB 0.663 33.162 32.500 -0.002 0.000 0.925 141 K HN 0.803 nan 8.250 nan 0.000 0.547 142 T N -2.388 112.152 114.554 -0.023 0.000 2.955 142 T HA 0.157 4.507 4.350 -0.000 0.000 0.251 142 T C 0.680 175.332 174.700 -0.081 0.000 1.002 142 T CA -0.301 61.773 62.100 -0.044 0.000 0.970 142 T CB 0.053 68.896 68.868 -0.041 0.000 1.091 142 T HN -0.229 nan 8.240 nan 0.000 0.495 143 V N 3.123 122.972 119.914 -0.107 0.000 2.450 143 V HA 0.135 4.254 4.120 -0.000 0.000 0.281 143 V C 1.116 177.048 176.094 -0.269 0.000 1.019 143 V CA 0.319 62.462 62.300 -0.261 0.000 1.062 143 V CB 0.620 32.157 31.823 -0.476 0.000 0.979 143 V HN 0.489 nan 8.190 nan 0.000 0.477 144 Q N 2.596 122.214 119.800 -0.304 0.000 2.324 144 Q HA 0.170 4.510 4.340 -0.000 0.000 0.207 144 Q C -0.179 175.500 176.000 -0.534 0.000 0.928 144 Q CA 0.646 56.222 55.803 -0.378 0.000 0.890 144 Q CB 0.511 28.993 28.738 -0.427 0.000 1.001 144 Q HN 0.870 nan 8.270 nan 0.000 0.517 145 H N -1.143 117.810 119.070 -0.195 0.000 2.589 145 H HA 0.351 4.907 4.556 -0.000 0.000 0.351 145 H C -1.521 173.673 175.328 -0.224 0.000 1.074 145 H CA -0.625 55.366 56.048 -0.096 0.000 1.203 145 H CB 1.154 30.892 29.762 -0.039 0.000 1.558 145 H HN -0.066 nan 8.280 nan 0.000 0.522 146 F N 2.445 122.525 119.950 0.217 0.000 2.375 146 F HA 0.389 4.916 4.527 -0.000 0.000 0.361 146 F C -0.469 175.561 175.800 0.383 0.000 1.117 146 F CA -0.849 57.361 58.000 0.350 0.000 1.037 146 F CB 1.224 40.445 39.000 0.368 0.000 1.192 146 F HN 0.206 nan 8.300 nan 0.000 0.452 147 V N 4.597 124.753 119.914 0.405 0.000 2.384 147 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 147 V C -0.252 175.725 176.094 -0.196 0.000 1.020 147 V CA -0.965 61.423 62.300 0.146 0.000 0.850 147 V CB 1.573 33.453 31.823 0.095 0.000 0.987 147 V HN 0.435 nan 8.190 nan 0.000 0.436 148 V N 5.983 125.690 119.914 -0.345 0.000 2.432 148 V HA 0.259 4.379 4.120 -0.000 0.000 0.271 148 V C 0.661 176.559 176.094 -0.326 0.000 1.046 148 V CA -0.299 61.583 62.300 -0.696 0.000 0.945 148 V CB 1.200 32.708 31.823 -0.525 0.000 0.992 148 V HN 0.839 nan 8.190 nan 0.000 0.471 149 M N 5.222 124.594 119.600 -0.380 0.000 3.254 149 M HA 0.259 4.739 4.480 -0.000 0.000 0.257 149 M C -0.412 175.663 176.300 -0.376 0.000 1.490 149 M CA 0.738 55.827 55.300 -0.352 0.000 1.620 149 M CB -0.668 31.709 32.600 -0.372 0.000 1.157 149 M HN 0.744 nan 8.290 nan 0.000 0.541 150 D N -0.385 119.883 120.400 -0.220 0.000 2.738 150 D HA 0.150 4.790 4.640 -0.000 0.000 0.308 150 D C -0.030 176.254 176.300 -0.026 0.000 1.311 150 D CA -0.432 53.482 54.000 -0.144 0.000 0.799 150 D CB 1.072 41.793 40.800 -0.132 0.000 1.332 150 D HN 0.306 nan 8.370 nan 0.000 0.441 151 E N -0.377 119.825 120.200 0.005 0.000 2.152 151 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 151 E C 0.040 176.660 176.600 0.032 0.000 0.983 151 E CA 0.770 57.196 56.400 0.043 0.000 0.818 151 E CB 0.372 30.102 29.700 0.049 0.000 0.758 151 E HN 0.022 nan 8.360 nan 0.000 0.467 152 K N -0.479 119.928 120.400 0.012 0.000 2.395 152 K HA 0.694 5.014 4.320 -0.000 0.000 0.247 152 K C -1.014 175.584 176.600 -0.004 0.000 0.973 152 K CA -0.828 55.467 56.287 0.013 0.000 0.828 152 K CB 2.208 34.718 32.500 0.016 0.000 1.272 152 K HN -0.029 nan 8.250 nan 0.000 0.439 153 A N 1.869 124.700 122.820 0.019 0.000 2.515 153 A HA 0.746 5.066 4.320 -0.000 0.000 0.298 153 A C -2.620 175.006 177.584 0.069 0.000 1.059 153 A CA -1.199 50.855 52.037 0.028 0.000 0.698 153 A CB 0.928 19.970 19.000 0.071 0.000 1.289 153 A HN 0.472 nan 8.150 nan 0.000 0.404 154 P HA 0.296 nan 4.420 nan 0.000 0.277 154 P C -0.419 177.003 177.300 0.204 0.000 1.276 154 P CA -0.538 62.630 63.100 0.113 0.000 0.788 154 P CB 0.360 32.107 31.700 0.078 0.000 1.114 155 E N -0.141 120.156 120.200 0.160 0.000 2.452 155 E HA 0.190 4.540 4.350 -0.000 0.000 0.261 155 E C 1.117 177.809 176.600 0.153 0.000 0.987 155 E CA 1.315 57.793 56.400 0.129 0.000 0.926 155 E CB -0.052 29.694 29.700 0.076 0.000 0.934 155 E HN 0.815 nan 8.360 nan 0.000 0.452 156 G N 2.724 111.549 108.800 0.042 0.000 2.162 156 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 156 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 156 G C -0.381 174.322 174.900 -0.328 0.000 0.976 156 G CA 0.383 45.397 45.100 -0.142 0.000 0.655 156 G HN 0.467 nan 8.290 nan 0.000 0.533 157 Y N -1.645 118.710 120.300 0.092 0.000 2.512 157 Y HA 0.696 5.246 4.550 -0.000 0.000 0.348 157 Y C -0.036 175.932 175.900 0.113 0.000 0.990 157 Y CA -1.232 56.958 58.100 0.149 0.000 1.033 157 Y CB 1.894 40.450 38.460 0.161 0.000 1.259 157 Y HN 0.195 nan 8.280 nan 0.000 0.461 158 L N 2.543 123.933 121.223 0.279 0.000 2.309 158 L HA 0.858 5.198 4.340 -0.000 0.000 0.282 158 L C -0.269 176.663 176.870 0.103 0.000 1.036 158 L CA -0.549 54.381 54.840 0.150 0.000 0.806 158 L CB 1.015 43.140 42.059 0.110 0.000 1.220 158 L HN 0.725 nan 8.230 nan 0.000 0.429 159 A N 3.962 126.820 122.820 0.063 0.000 2.388 159 A HA 0.175 4.495 4.320 -0.000 0.000 0.257 159 A C 0.464 178.079 177.584 0.052 0.000 1.095 159 A CA -0.119 51.943 52.037 0.042 0.000 0.791 159 A CB -0.149 18.875 19.000 0.040 0.000 1.029 159 A HN 0.899 nan 8.150 nan 0.000 0.489 160 Y N 1.146 121.402 120.300 -0.074 0.000 2.151 160 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 160 Y C 1.977 177.858 175.900 -0.032 0.000 1.166 160 Y CA 2.688 60.747 58.100 -0.068 0.000 1.163 160 Y CB 0.188 38.581 38.460 -0.113 0.000 0.974 160 Y HN 0.757 nan 8.280 nan 0.000 0.511 161 E N 0.408 120.705 120.200 0.161 0.000 2.150 161 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 161 E C 1.953 178.558 176.600 0.007 0.000 0.985 161 E CA 1.523 57.983 56.400 0.100 0.000 0.814 161 E CB -0.248 29.528 29.700 0.127 0.000 0.752 161 E HN 0.718 nan 8.360 nan 0.000 0.466 162 E N 0.763 120.961 120.200 -0.002 0.000 2.107 162 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 162 E C 1.996 178.556 176.600 -0.067 0.000 0.982 162 E CA 0.833 57.221 56.400 -0.020 0.000 0.809 162 E CB -0.060 29.639 29.700 -0.001 0.000 0.756 162 E HN 0.178 nan 8.360 nan 0.000 0.459 163 A N 1.468 124.219 122.820 -0.116 0.000 2.015 163 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 163 A C 1.214 178.677 177.584 -0.201 0.000 1.163 163 A CA 0.377 52.312 52.037 -0.170 0.000 0.646 163 A CB -0.536 18.337 19.000 -0.211 0.000 0.806 163 A HN 0.090 nan 8.150 nan 0.000 0.448 164 L N -0.040 121.050 121.223 -0.223 0.000 2.490 164 L HA 0.327 4.667 4.340 -0.000 0.000 0.274 164 L C 1.125 177.937 176.870 -0.097 0.000 1.201 164 L CA -0.065 54.670 54.840 -0.174 0.000 0.869 164 L CB 0.318 42.300 42.059 -0.129 0.000 1.123 164 L HN 0.338 nan 8.230 nan 0.000 0.484 165 G N 2.536 111.288 108.800 -0.081 0.000 3.135 165 G HA2 0.291 4.251 3.960 -0.000 0.000 0.159 165 G HA3 0.291 4.251 3.960 -0.000 0.000 0.159 165 G C -0.657 174.221 174.900 -0.037 0.000 1.244 165 G CA -0.521 44.545 45.100 -0.057 0.000 0.965 165 G HN 0.516 nan 8.290 nan 0.000 0.599 166 E N 0.722 120.902 120.200 -0.033 0.000 2.383 166 E HA 0.082 4.432 4.350 -0.000 0.000 0.264 166 E C -0.243 176.341 176.600 -0.027 0.000 1.050 166 E CA 0.135 56.521 56.400 -0.023 0.000 0.896 166 E CB 0.966 30.653 29.700 -0.022 0.000 0.982 166 E HN 0.327 nan 8.360 nan 0.000 0.424 167 E N 0.630 120.820 120.200 -0.016 0.000 2.415 167 E HA 0.134 4.484 4.350 -0.000 0.000 0.260 167 E C -0.802 175.774 176.600 -0.039 0.000 1.016 167 E CA -0.090 56.297 56.400 -0.022 0.000 0.924 167 E CB 0.727 30.425 29.700 -0.004 0.000 0.961 167 E HN 0.358 nan 8.360 nan 0.000 0.459 168 A N 4.364 127.143 122.820 -0.068 0.000 2.355 168 A HA 0.328 4.648 4.320 -0.000 0.000 0.324 168 A C -0.607 176.896 177.584 -0.134 0.000 1.117 168 A CA -0.914 51.069 52.037 -0.091 0.000 0.785 168 A CB 1.135 20.073 19.000 -0.102 0.000 1.254 168 A HN 0.499 nan 8.150 nan 0.000 0.453 169 D N 2.435 122.761 120.400 -0.122 0.000 2.341 169 D HA 0.404 5.044 4.640 -0.000 0.000 0.245 169 D C -2.010 174.129 176.300 -0.269 0.000 1.106 169 D CA -0.626 53.285 54.000 -0.148 0.000 0.905 169 D CB 0.787 41.540 40.800 -0.078 0.000 1.202 169 D HN 0.334 nan 8.370 nan 0.000 0.426 170 P HA 0.065 nan 4.420 nan 0.000 0.272 170 P C -0.543 176.575 177.300 -0.303 0.000 1.223 170 P CA -0.331 62.418 63.100 -0.586 0.000 0.784 170 P CB 0.748 31.843 31.700 -1.007 0.000 0.923 171 V N 3.443 123.207 119.914 -0.251 0.000 2.483 171 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 171 V C 0.855 176.862 176.094 -0.145 0.000 1.035 171 V CA -0.637 61.570 62.300 -0.154 0.000 0.896 171 V CB 1.199 32.952 31.823 -0.116 0.000 0.986 171 V HN 0.485 nan 8.190 nan 0.000 0.447 172 R N 2.488 122.918 120.500 -0.116 0.000 2.265 172 R HA 0.689 5.029 4.340 -0.000 0.000 0.319 172 R C -0.696 175.535 176.300 -0.116 0.000 1.006 172 R CA -0.363 55.662 56.100 -0.125 0.000 0.880 172 R CB 1.646 31.893 30.300 -0.088 0.000 1.077 172 R HN 0.725 nan 8.270 nan 0.000 0.454 173 V N 1.641 121.460 119.914 -0.159 0.000 2.881 173 V HA 0.634 4.754 4.120 -0.000 0.000 0.316 173 V C -2.400 173.632 176.094 -0.103 0.000 1.070 173 V CA -2.951 59.285 62.300 -0.107 0.000 0.976 173 V CB 1.451 33.233 31.823 -0.068 0.000 1.038 173 V HN 0.644 nan 8.190 nan 0.000 0.446 174 P HA 0.042 nan 4.420 nan 0.000 0.261 174 P C 0.850 178.136 177.300 -0.023 0.000 1.173 174 P CA 0.454 63.534 63.100 -0.033 0.000 0.760 174 P CB 0.322 32.014 31.700 -0.014 0.000 0.783 175 E N 3.800 123.989 120.200 -0.018 0.000 2.209 175 E HA -0.241 4.108 4.350 -0.000 0.000 0.196 175 E C 1.111 177.752 176.600 0.068 0.000 0.993 175 E CA 1.066 57.477 56.400 0.018 0.000 0.819 175 E CB -0.282 29.429 29.700 0.019 0.000 0.745 175 E HN 0.398 nan 8.360 nan 0.000 0.477 176 R N 0.752 121.276 120.500 0.040 0.000 2.299 176 R HA 0.203 4.543 4.340 -0.000 0.000 0.197 176 R C 0.726 177.047 176.300 0.035 0.000 0.971 176 R CA 0.291 56.413 56.100 0.037 0.000 1.030 176 R CB 0.154 30.464 30.300 0.018 0.000 0.932 176 R HN 0.158 nan 8.270 nan 0.000 0.477 177 A N 1.228 124.077 122.820 0.049 0.000 2.366 177 A HA 0.527 4.847 4.320 -0.000 0.000 0.249 177 A C 0.105 177.728 177.584 0.066 0.000 1.084 177 A CA -0.345 51.720 52.037 0.046 0.000 0.794 177 A CB 0.324 19.350 19.000 0.042 0.000 1.034 177 A HN 0.305 nan 8.150 nan 0.000 0.491 178 A N -0.437 122.391 122.820 0.014 0.000 2.511 178 A HA 0.327 4.647 4.320 -0.000 0.000 0.242 178 A C 1.172 178.732 177.584 -0.041 0.000 1.069 178 A CA 0.275 52.292 52.037 -0.033 0.000 0.763 178 A CB -0.604 18.349 19.000 -0.079 0.000 1.001 178 A HN 1.936 nan 8.150 nan 0.000 0.498 179 C N 0.723 119.928 119.300 -0.158 0.000 3.123 179 C HA 0.669 5.128 4.460 -0.000 0.000 0.399 179 C C 0.962 175.854 174.990 -0.164 0.000 1.320 179 C CA 0.227 59.049 59.018 -0.327 0.000 1.949 179 C CB -0.661 26.573 27.740 -0.843 0.000 2.692 179 C HN 1.413 nan 8.230 nan 0.000 0.623 180 G N 0.904 109.666 108.800 -0.065 0.000 2.576 180 G HA2 0.664 4.624 3.960 -0.000 0.000 0.290 180 G HA3 0.664 4.624 3.960 -0.000 0.000 0.290 180 G C -1.393 173.558 174.900 0.086 0.000 1.442 180 G CA -0.185 44.937 45.100 0.037 0.000 0.792 180 G HN 0.857 nan 8.290 nan 0.000 0.491 181 M N -0.559 119.110 119.600 0.116 0.000 2.520 181 M HA 0.871 5.351 4.480 -0.000 0.000 0.280 181 M C -1.435 174.997 176.300 0.220 0.000 1.232 181 M CA -1.034 54.246 55.300 -0.034 0.000 0.892 181 M CB 2.242 34.697 32.600 -0.241 0.000 1.728 181 M HN 1.672 nan 8.290 nan 0.000 0.475 182 A N 1.746 124.632 122.820 0.111 0.000 2.549 182 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 182 A C -2.373 175.317 177.584 0.177 0.000 1.061 182 A CA -0.515 51.728 52.037 0.343 0.000 0.690 182 A CB 1.463 20.724 19.000 0.434 0.000 1.287 182 A HN 0.799 nan 8.150 nan 0.000 0.402 183 Y N 0.375 120.826 120.300 0.251 0.000 2.342 183 Y HA 0.586 5.136 4.550 -0.000 0.000 0.334 183 Y C 1.099 177.119 175.900 0.200 0.000 1.067 183 Y CA -0.000 58.219 58.100 0.198 0.000 1.128 183 Y CB 2.113 40.696 38.460 0.205 0.000 1.200 183 Y HN 0.627 nan 8.280 nan 0.000 0.464 184 T N 0.940 115.652 114.554 0.263 0.000 2.837 184 T HA 0.268 4.618 4.350 -0.000 0.000 0.285 184 T C 0.716 175.497 174.700 0.134 0.000 0.984 184 T CA -0.372 61.852 62.100 0.206 0.000 1.049 184 T CB 0.409 69.371 68.868 0.156 0.000 0.947 184 T HN 0.805 nan 8.240 nan 0.000 0.472 185 T N 1.326 115.965 114.554 0.142 0.000 3.069 185 T HA 0.273 4.623 4.350 -0.000 0.000 0.252 185 T C 1.320 175.874 174.700 -0.243 0.000 1.053 185 T CA -0.077 62.071 62.100 0.080 0.000 0.964 185 T CB 0.170 69.198 68.868 0.266 0.000 1.005 185 T HN 0.640 nan 8.240 nan 0.000 0.532 186 G N 1.218 109.578 108.800 -0.733 0.000 3.541 186 G HA2 0.449 4.409 3.960 -0.000 0.000 0.253 186 G HA3 0.449 4.409 3.960 -0.000 0.000 0.253 186 G C -0.246 174.210 174.900 -0.739 0.000 1.017 186 G CA -0.231 43.902 45.100 -1.612 0.000 1.832 186 G HN 0.473 nan 8.290 nan 0.000 0.649 187 T N -0.657 113.647 114.554 -0.417 0.000 2.802 187 T HA 0.546 4.896 4.350 -0.000 0.000 0.311 187 T C -0.079 174.524 174.700 -0.161 0.000 1.405 187 T CA -0.207 61.745 62.100 -0.247 0.000 1.016 187 T CB 1.302 70.041 68.868 -0.214 0.000 1.352 187 T HN 0.261 nan 8.240 nan 0.000 0.498 188 T N 1.038 115.519 114.554 -0.122 0.000 2.869 188 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 188 T C 1.108 175.755 174.700 -0.088 0.000 0.987 188 T CA 0.472 62.524 62.100 -0.080 0.000 1.109 188 T CB 0.542 69.375 68.868 -0.059 0.000 0.932 188 T HN 1.728 nan 8.240 nan 0.000 0.518 189 G N 2.232 110.989 108.800 -0.073 0.000 2.499 189 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.232 189 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.232 189 G C -0.513 174.311 174.900 -0.126 0.000 1.251 189 G CA -0.393 44.650 45.100 -0.096 0.000 0.917 189 G HN 0.952 nan 8.290 nan 0.000 0.580 190 L N 2.306 123.420 121.223 -0.182 0.000 2.436 190 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 190 L C -1.624 175.181 176.870 -0.109 0.000 1.168 190 L CA -1.619 53.063 54.840 -0.262 0.000 0.815 190 L CB 0.823 42.545 42.059 -0.562 0.000 1.109 190 L HN 0.361 nan 8.230 nan 0.000 0.462 191 P HA 0.065 nan 4.420 nan 0.000 0.266 191 P C -1.296 176.147 177.300 0.238 0.000 1.195 191 P CA 0.088 63.281 63.100 0.155 0.000 0.768 191 P CB 0.429 32.289 31.700 0.268 0.000 0.838 192 K N 1.316 121.787 120.400 0.119 0.000 2.221 192 K HA 0.599 4.919 4.320 -0.000 0.000 0.258 192 K C 0.294 176.839 176.600 -0.093 0.000 0.944 192 K CA -0.676 55.591 56.287 -0.033 0.000 0.823 192 K CB 1.650 33.886 32.500 -0.440 0.000 1.113 192 K HN 0.511 nan 8.250 nan 0.000 0.431 193 G N 1.191 109.765 108.800 -0.378 0.000 2.356 193 G HA2 0.458 4.417 3.960 -0.000 0.000 0.298 193 G HA3 0.458 4.417 3.960 -0.000 0.000 0.298 193 G C -0.851 173.879 174.900 -0.285 0.000 1.145 193 G CA -0.403 44.163 45.100 -0.889 0.000 0.850 193 G HN 0.335 nan 8.290 nan 0.000 0.487 194 V N 2.408 122.094 119.914 -0.380 0.000 2.487 194 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 194 V C -0.233 175.465 176.094 -0.660 0.000 1.028 194 V CA -0.696 61.347 62.300 -0.428 0.000 0.860 194 V CB 1.793 33.366 31.823 -0.417 0.000 0.991 194 V HN 0.547 nan 8.190 nan 0.000 0.427 195 V N 5.547 125.130 119.914 -0.553 0.000 2.347 195 V HA 0.445 4.565 4.120 -0.000 0.000 0.280 195 V C -0.657 175.166 176.094 -0.453 0.000 1.021 195 V CA -0.789 61.215 62.300 -0.493 0.000 0.847 195 V CB 0.720 32.354 31.823 -0.315 0.000 0.990 195 V HN 0.720 nan 8.190 nan 0.000 0.444 196 Y N 2.262 122.490 120.300 -0.120 0.000 2.307 196 Y HA 0.570 5.120 4.550 -0.000 0.000 0.324 196 Y C 1.041 176.865 175.900 -0.126 0.000 1.238 196 Y CA -0.487 57.545 58.100 -0.114 0.000 1.280 196 Y CB 1.116 39.498 38.460 -0.130 0.000 1.248 196 Y HN 0.695 nan 8.280 nan 0.000 0.508 197 S N -0.224 115.513 115.700 0.062 0.000 2.664 197 S HA 0.328 4.798 4.470 -0.000 0.000 0.304 197 S C 0.516 175.094 174.600 -0.037 0.000 1.099 197 S CA -0.785 57.420 58.200 0.009 0.000 1.003 197 S CB 1.022 64.248 63.200 0.042 0.000 1.092 197 S HN 0.762 nan 8.310 nan 0.000 0.525 198 H N 1.159 120.199 119.070 -0.051 0.000 2.319 198 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 198 H C 2.360 177.640 175.328 -0.080 0.000 1.092 198 H CA 2.301 58.288 56.048 -0.103 0.000 1.302 198 H CB -0.098 29.613 29.762 -0.084 0.000 1.373 198 H HN 0.725 nan 8.280 nan 0.000 0.497 199 R N 1.050 121.617 120.500 0.111 0.000 2.083 199 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 199 R C 2.429 178.802 176.300 0.121 0.000 1.137 199 R CA 1.479 57.635 56.100 0.093 0.000 0.951 199 R CB -0.251 30.100 30.300 0.085 0.000 0.851 199 R HN 0.246 nan 8.270 nan 0.000 0.434 200 A N 1.267 124.163 122.820 0.127 0.000 1.877 200 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 200 A C 2.265 179.936 177.584 0.144 0.000 1.186 200 A CA 1.339 53.508 52.037 0.220 0.000 0.620 200 A CB -0.476 18.654 19.000 0.218 0.000 0.822 200 A HN 0.375 nan 8.150 nan 0.000 0.443 201 L N -0.672 120.534 121.223 -0.028 0.000 2.240 201 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 201 L C 2.413 179.250 176.870 -0.055 0.000 1.106 201 L CA 0.482 55.228 54.840 -0.155 0.000 0.793 201 L CB -0.463 41.373 42.059 -0.372 0.000 0.927 201 L HN 0.226 nan 8.230 nan 0.000 0.446 202 V N 0.369 120.263 119.914 -0.032 0.000 2.307 202 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 202 V C 2.422 178.632 176.094 0.193 0.000 1.045 202 V CA 1.519 63.874 62.300 0.092 0.000 1.024 202 V CB -0.264 31.548 31.823 -0.018 0.000 0.651 202 V HN 0.326 nan 8.190 nan 0.000 0.449 203 L N -0.602 120.724 121.223 0.171 0.000 2.046 203 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 203 L C 2.651 179.518 176.870 -0.005 0.000 1.077 203 L CA 1.864 56.840 54.840 0.228 0.000 0.747 203 L CB -0.877 41.442 42.059 0.434 0.000 0.896 203 L HN 0.483 nan 8.230 nan 0.000 0.432 204 H N 0.096 118.912 119.070 -0.423 0.000 2.293 204 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 204 H C 2.310 177.357 175.328 -0.467 0.000 1.082 204 H CA 1.996 57.422 56.048 -1.037 0.000 1.308 204 H CB 0.210 29.403 29.762 -0.948 0.000 1.375 204 H HN 0.222 nan 8.280 nan 0.000 0.495 205 S N 0.741 116.452 115.700 0.019 0.000 2.383 205 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 205 S C 2.551 177.118 174.600 -0.056 0.000 1.030 205 S CA 1.257 59.498 58.200 0.069 0.000 1.002 205 S CB -0.253 63.102 63.200 0.258 0.000 0.829 205 S HN 0.308 nan 8.310 nan 0.000 0.467 206 L N 0.836 122.047 121.223 -0.019 0.000 1.988 206 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 206 L C 2.825 179.658 176.870 -0.063 0.000 1.071 206 L CA 1.295 56.120 54.840 -0.025 0.000 0.744 206 L CB -0.676 41.416 42.059 0.056 0.000 0.893 206 L HN 0.325 nan 8.230 nan 0.000 0.433 207 A N -0.256 122.521 122.820 -0.072 0.000 1.930 207 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 207 A C 2.376 179.895 177.584 -0.107 0.000 1.175 207 A CA 1.524 53.549 52.037 -0.020 0.000 0.627 207 A CB -0.619 18.495 19.000 0.190 0.000 0.815 207 A HN 0.407 nan 8.150 nan 0.000 0.443 208 A N -0.991 121.664 122.820 -0.276 0.000 2.119 208 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 208 A C 1.977 179.469 177.584 -0.154 0.000 1.152 208 A CA 1.419 53.300 52.037 -0.261 0.000 0.708 208 A CB -0.304 18.399 19.000 -0.496 0.000 0.805 208 A HN 0.368 nan 8.150 nan 0.000 0.460 209 S N -0.229 115.382 115.700 -0.148 0.000 2.577 209 S HA 0.318 4.788 4.470 -0.000 0.000 0.219 209 S C 0.538 175.059 174.600 -0.132 0.000 0.962 209 S CA -0.399 57.713 58.200 -0.147 0.000 0.921 209 S CB -0.298 62.806 63.200 -0.160 0.000 0.789 209 S HN 0.461 nan 8.310 nan 0.000 0.497 210 L N 0.567 121.724 121.223 -0.111 0.000 2.473 210 L HA 0.141 4.481 4.340 -0.000 0.000 0.265 210 L C 1.794 178.586 176.870 -0.129 0.000 1.243 210 L CA -0.379 54.397 54.840 -0.107 0.000 0.822 210 L CB 0.133 42.137 42.059 -0.093 0.000 1.101 210 L HN -0.042 nan 8.230 nan 0.000 0.507 211 V N 0.042 119.877 119.914 -0.132 0.000 2.324 211 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 211 V C 1.521 177.495 176.094 -0.200 0.000 1.060 211 V CA 1.920 64.137 62.300 -0.138 0.000 1.042 211 V CB -0.536 31.217 31.823 -0.116 0.000 0.650 211 V HN 0.790 nan 8.190 nan 0.000 0.450 212 D N -0.129 120.074 120.400 -0.329 0.000 2.363 212 D HA 0.072 4.712 4.640 -0.000 0.000 0.226 212 D C 1.136 177.233 176.300 -0.337 0.000 1.020 212 D CA 0.999 54.622 54.000 -0.629 0.000 0.892 212 D CB 0.208 40.289 40.800 -1.198 0.000 0.900 212 D HN 0.532 nan 8.370 nan 0.000 0.531 213 G N 0.317 109.020 108.800 -0.161 0.000 3.271 213 G HA2 0.109 4.068 3.960 -0.000 0.000 0.174 213 G HA3 0.109 4.068 3.960 -0.000 0.000 0.174 213 G C 1.178 176.076 174.900 -0.003 0.000 1.385 213 G CA 0.424 45.496 45.100 -0.046 0.000 0.979 213 G HN 0.148 nan 8.290 nan 0.000 0.610 214 T N -1.713 112.834 114.554 -0.012 0.000 3.072 214 T HA 0.303 4.653 4.350 -0.000 0.000 0.266 214 T C 1.567 176.176 174.700 -0.151 0.000 1.127 214 T CA 1.354 63.448 62.100 -0.010 0.000 1.107 214 T CB -0.309 68.480 68.868 -0.131 0.000 0.910 214 T HN 1.963 nan 8.240 nan 0.000 0.513 215 A N 0.739 123.476 122.820 -0.139 0.000 2.560 215 A HA -0.106 4.214 4.320 -0.000 0.000 0.299 215 A C 0.322 177.786 177.584 -0.199 0.000 1.484 215 A CA 0.381 52.334 52.037 -0.139 0.000 0.749 215 A CB -2.561 16.390 19.000 -0.081 0.000 1.072 215 A HN 0.696 nan 8.150 nan 0.000 0.426 216 L N 0.226 121.289 121.223 -0.268 0.000 2.380 216 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 216 L C 0.868 177.606 176.870 -0.219 0.000 1.138 216 L CA 0.551 55.206 54.840 -0.309 0.000 0.832 216 L CB 1.512 43.361 42.059 -0.350 0.000 1.124 216 L HN 0.660 nan 8.230 nan 0.000 0.454 217 S N 0.903 116.482 115.700 -0.202 0.000 2.595 217 S HA 0.151 4.621 4.470 -0.000 0.000 0.281 217 S C 0.624 175.102 174.600 -0.204 0.000 1.117 217 S CA -0.659 57.436 58.200 -0.175 0.000 0.873 217 S CB 1.800 64.927 63.200 -0.122 0.000 1.108 217 S HN 0.730 nan 8.310 nan 0.000 0.477 218 E N 2.097 122.146 120.200 -0.251 0.000 2.171 218 E HA -0.199 4.150 4.350 -0.000 0.000 0.197 218 E C 1.507 177.999 176.600 -0.180 0.000 0.997 218 E CA 1.768 57.969 56.400 -0.332 0.000 0.810 218 E CB -0.115 29.346 29.700 -0.399 0.000 0.738 218 E HN 0.736 nan 8.360 nan 0.000 0.467 219 K N 0.240 120.573 120.400 -0.111 0.000 2.366 219 K HA -0.009 4.311 4.320 -0.000 0.000 0.198 219 K C 0.353 176.931 176.600 -0.037 0.000 1.044 219 K CA 0.297 56.550 56.287 -0.057 0.000 0.973 219 K CB 0.121 32.599 32.500 -0.036 0.000 0.767 219 K HN -0.120 nan 8.250 nan 0.000 0.475 220 D N 1.637 122.005 120.400 -0.054 0.000 2.382 220 D HA 0.070 4.710 4.640 -0.000 0.000 0.240 220 D C -0.663 175.644 176.300 0.012 0.000 1.146 220 D CA -0.004 53.986 54.000 -0.016 0.000 0.897 220 D CB 1.729 42.496 40.800 -0.056 0.000 1.197 220 D HN -0.136 nan 8.370 nan 0.000 0.432 221 V N 2.725 122.677 119.914 0.063 0.000 2.350 221 V HA 0.175 4.295 4.120 -0.000 0.000 0.285 221 V C 0.172 176.352 176.094 0.143 0.000 1.014 221 V CA -0.762 61.585 62.300 0.078 0.000 0.831 221 V CB 1.686 33.552 31.823 0.072 0.000 1.000 221 V HN 0.211 nan 8.190 nan 0.000 0.433 222 V N 6.600 126.598 119.914 0.139 0.000 2.407 222 V HA 0.458 4.578 4.120 -0.000 0.000 0.278 222 V C -0.169 176.030 176.094 0.174 0.000 1.037 222 V CA -0.430 62.013 62.300 0.237 0.000 0.900 222 V CB 1.692 33.631 31.823 0.193 0.000 0.983 222 V HN 0.712 nan 8.190 nan 0.000 0.459 223 L N 8.443 129.787 121.223 0.203 0.000 2.353 223 L HA 0.548 4.888 4.340 -0.000 0.000 0.270 223 L C -2.437 174.492 176.870 0.100 0.000 1.003 223 L CA -1.687 53.213 54.840 0.100 0.000 0.862 223 L CB 2.299 44.392 42.059 0.057 0.000 1.221 223 L HN 0.446 nan 8.230 nan 0.000 0.430 224 P HA 0.097 nan 4.420 nan 0.000 0.286 224 P C 0.561 177.784 177.300 -0.128 0.000 1.321 224 P CA -0.174 62.911 63.100 -0.025 0.000 0.790 224 P CB 1.670 33.320 31.700 -0.084 0.000 0.897 225 V N 4.006 123.848 119.914 -0.120 0.000 2.788 225 V HA -0.075 4.045 4.120 -0.000 0.000 0.251 225 V C 1.517 177.370 176.094 -0.402 0.000 1.068 225 V CA 0.662 62.813 62.300 -0.248 0.000 1.090 225 V CB 0.098 31.733 31.823 -0.313 0.000 0.710 225 V HN 0.355 nan 8.190 nan 0.000 0.467 226 V N 3.301 122.901 119.914 -0.523 0.000 2.557 226 V HA 0.094 4.214 4.120 -0.000 0.000 0.301 226 V C -2.042 173.627 176.094 -0.709 0.000 1.026 226 V CA -1.321 60.490 62.300 -0.815 0.000 1.137 226 V CB 0.961 31.845 31.823 -1.565 0.000 0.917 226 V HN 0.266 nan 8.190 nan 0.000 0.484 227 P HA 0.185 nan 4.420 nan 0.000 0.271 227 P C 0.495 177.261 177.300 -0.891 0.000 1.218 227 P CA -0.017 62.461 63.100 -1.037 0.000 0.780 227 P CB 0.455 30.985 31.700 -1.949 0.000 0.901 228 M N 1.683 120.840 119.600 -0.738 0.000 2.700 228 M HA -0.013 4.467 4.480 -0.000 0.000 0.249 228 M C 0.396 176.562 176.300 -0.223 0.000 1.082 228 M CA 1.320 56.306 55.300 -0.524 0.000 1.077 228 M CB -0.547 31.519 32.600 -0.890 0.000 1.477 228 M HN 0.383 nan 8.290 nan 0.000 0.529 229 F N -3.722 116.170 119.950 -0.097 0.000 2.678 229 F HA 0.287 4.814 4.527 -0.000 0.000 0.305 229 F C 0.202 176.114 175.800 0.186 0.000 1.090 229 F CA -0.651 57.371 58.000 0.037 0.000 1.272 229 F CB -0.868 38.127 39.000 -0.007 0.000 1.060 229 F HN -0.001 nan 8.300 nan 0.000 0.576 230 H N 1.899 120.855 119.070 -0.189 0.000 2.746 230 H HA 0.403 4.958 4.556 -0.000 0.000 0.269 230 H C 0.172 175.511 175.328 0.018 0.000 1.248 230 H CA -0.713 55.307 56.048 -0.046 0.000 1.258 230 H CB 0.883 30.507 29.762 -0.229 0.000 1.441 230 H HN 0.056 nan 8.280 nan 0.000 0.508 231 V N 2.501 122.559 119.914 0.241 0.000 5.578 231 V HA -0.380 3.740 4.120 -0.000 0.000 0.275 231 V C 0.310 176.419 176.094 0.026 0.000 0.642 231 V CA 1.307 63.706 62.300 0.166 0.000 0.613 231 V CB -2.462 29.506 31.823 0.242 0.000 0.301 231 V HN 1.152 nan 8.190 nan 0.000 0.782 232 N N -1.512 117.193 118.700 0.009 0.000 2.727 232 N HA -0.105 4.635 4.740 -0.000 0.000 0.249 232 N C 0.589 176.116 175.510 0.029 0.000 1.048 232 N CA 0.956 54.013 53.050 0.012 0.000 0.714 232 N CB -0.946 37.467 38.487 -0.124 0.000 0.959 232 N HN 2.401 nan 8.380 nan 0.000 0.544 233 A N -0.938 121.815 122.820 -0.112 0.000 2.687 233 A HA -0.208 4.112 4.320 -0.000 0.000 0.299 233 A C 0.832 178.370 177.584 -0.077 0.000 1.497 233 A CA 1.259 53.128 52.037 -0.279 0.000 0.751 233 A CB -1.969 16.840 19.000 -0.318 0.000 1.048 233 A HN 0.845 nan 8.150 nan 0.000 0.464 234 W N -3.668 117.634 121.300 0.003 0.000 4.973 234 W HA -0.271 4.389 4.660 -0.000 0.000 0.350 234 W C 1.271 177.805 176.519 0.025 0.000 1.280 234 W CA 0.222 57.581 57.345 0.022 0.000 0.854 234 W CB -2.382 27.133 29.460 0.092 0.000 2.367 234 W HN 1.715 nan 8.180 nan 0.000 1.511 235 C N -1.543 117.847 119.300 0.151 0.000 4.400 235 C HA -0.325 4.135 4.460 -0.000 0.000 0.275 235 C C 2.364 177.485 174.990 0.219 0.000 1.391 235 C CA 1.004 60.119 59.018 0.161 0.000 1.816 235 C CB -1.805 25.939 27.740 0.007 0.000 1.404 235 C HN 0.471 nan 8.230 nan 0.000 0.754 236 L N 0.184 121.511 121.223 0.173 0.000 2.109 236 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 236 L C -0.133 176.782 176.870 0.074 0.000 1.086 236 L CA 2.052 56.981 54.840 0.148 0.000 0.760 236 L CB -1.134 41.043 42.059 0.197 0.000 0.910 236 L HN 0.284 nan 8.230 nan 0.000 0.437 237 P HA -0.174 nan 4.420 nan 0.000 0.220 237 P C 1.111 178.446 177.300 0.059 0.000 1.148 237 P CA 1.464 64.503 63.100 -0.102 0.000 0.803 237 P CB -0.004 31.429 31.700 -0.444 0.000 0.782 238 Y N -0.439 119.984 120.300 0.205 0.000 2.206 238 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 238 Y C 2.637 178.679 175.900 0.238 0.000 1.123 238 Y CA 0.693 58.995 58.100 0.337 0.000 1.142 238 Y CB -0.847 37.785 38.460 0.287 0.000 1.006 238 Y HN -0.116 nan 8.280 nan 0.000 0.518 239 A N 0.196 123.164 122.820 0.247 0.000 1.930 239 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 239 A C 2.327 179.863 177.584 -0.079 0.000 1.175 239 A CA 1.558 53.596 52.037 0.002 0.000 0.627 239 A CB -1.072 17.932 19.000 0.008 0.000 0.815 239 A HN 0.421 nan 8.150 nan 0.000 0.443 240 A N -0.929 121.897 122.820 0.009 0.000 1.930 240 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 240 A C 2.275 179.870 177.584 0.019 0.000 1.175 240 A CA 2.194 54.231 52.037 0.000 0.000 0.627 240 A CB -1.125 17.916 19.000 0.068 0.000 0.815 240 A HN 0.417 nan 8.150 nan 0.000 0.443 241 T N 0.225 114.847 114.554 0.115 0.000 2.821 241 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 241 T C 1.849 176.416 174.700 -0.221 0.000 1.046 241 T CA 1.373 63.476 62.100 0.005 0.000 1.139 241 T CB -0.399 68.679 68.868 0.349 0.000 0.871 241 T HN 0.410 nan 8.240 nan 0.000 0.454 242 L N 2.443 123.479 121.223 -0.312 0.000 2.012 242 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 242 L C 2.410 179.057 176.870 -0.373 0.000 1.073 242 L CA 1.831 56.298 54.840 -0.622 0.000 0.748 242 L CB -0.701 40.689 42.059 -1.115 0.000 0.891 242 L HN 0.264 nan 8.230 nan 0.000 0.431 243 V N -2.749 116.957 119.914 -0.346 0.000 3.406 243 V HA 0.413 4.533 4.120 -0.000 0.000 0.263 243 V C 1.648 177.356 176.094 -0.643 0.000 1.172 243 V CA 0.447 62.526 62.300 -0.368 0.000 1.140 243 V CB -0.969 30.674 31.823 -0.299 0.000 0.784 243 V HN 0.777 nan 8.190 nan 0.000 0.467 244 G N 0.091 108.530 108.800 -0.601 0.000 2.137 244 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.237 244 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.237 244 G C 0.307 174.986 174.900 -0.369 0.000 1.002 244 G CA 0.278 44.904 45.100 -0.790 0.000 0.702 244 G HN 1.607 nan 8.290 nan 0.000 0.515 245 A N -0.210 122.504 122.820 -0.176 0.000 2.386 245 A HA 0.602 4.922 4.320 -0.000 0.000 0.248 245 A C 0.846 178.492 177.584 0.103 0.000 1.082 245 A CA 0.606 52.609 52.037 -0.056 0.000 0.789 245 A CB 0.379 19.336 19.000 -0.072 0.000 1.025 245 A HN 0.733 nan 8.150 nan 0.000 0.490 246 K N 1.259 121.686 120.400 0.044 0.000 2.448 246 K HA 0.078 4.398 4.320 -0.000 0.000 0.278 246 K C -0.348 176.256 176.600 0.008 0.000 1.009 246 K CA 0.499 56.793 56.287 0.011 0.000 0.995 246 K CB 0.175 32.675 32.500 0.001 0.000 0.917 246 K HN 0.761 nan 8.250 nan 0.000 0.481 247 Q N 2.590 122.360 119.800 -0.049 0.000 2.316 247 Q HA 0.358 4.698 4.340 -0.000 0.000 0.264 247 Q C -1.294 174.685 176.000 -0.035 0.000 0.987 247 Q CA -0.987 54.802 55.803 -0.025 0.000 0.852 247 Q CB 2.423 31.140 28.738 -0.035 0.000 1.287 247 Q HN 0.321 nan 8.270 nan 0.000 0.448 248 V N 4.562 124.468 119.914 -0.013 0.000 2.407 248 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 248 V C -0.617 175.451 176.094 -0.045 0.000 1.018 248 V CA -0.615 61.667 62.300 -0.030 0.000 0.842 248 V CB 1.251 33.053 31.823 -0.034 0.000 0.996 248 V HN 0.611 nan 8.190 nan 0.000 0.426 249 L N 7.633 128.834 121.223 -0.037 0.000 2.294 249 L HA 0.453 4.793 4.340 -0.000 0.000 0.283 249 L C -1.525 175.322 176.870 -0.038 0.000 1.015 249 L CA -1.446 53.365 54.840 -0.047 0.000 0.831 249 L CB 2.255 44.296 42.059 -0.030 0.000 1.217 249 L HN 0.388 nan 8.230 nan 0.000 0.420 250 P HA 0.017 nan 4.420 nan 0.000 0.236 250 P C 0.869 178.124 177.300 -0.076 0.000 1.177 250 P CA 0.858 63.893 63.100 -0.108 0.000 0.773 250 P CB 0.602 32.201 31.700 -0.168 0.000 0.878 251 G N 1.522 110.312 108.800 -0.016 0.000 2.645 251 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.239 251 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.239 251 G C -1.766 173.047 174.900 -0.145 0.000 1.331 251 G CA 0.201 45.317 45.100 0.026 0.000 0.890 251 G HN 0.080 nan 8.290 nan 0.000 0.572 252 P HA -0.011 nan 4.420 nan 0.000 0.223 252 P C 0.793 177.825 177.300 -0.446 0.000 1.151 252 P CA 0.835 63.413 63.100 -0.870 0.000 0.787 252 P CB 0.107 31.173 31.700 -1.056 0.000 0.788 253 R N 0.919 121.255 120.500 -0.273 0.000 2.429 253 R HA 0.267 4.607 4.340 -0.000 0.000 0.302 253 R C 0.831 177.016 176.300 -0.192 0.000 1.268 253 R CA -0.127 55.852 56.100 -0.202 0.000 1.090 253 R CB -0.247 29.959 30.300 -0.158 0.000 1.102 253 R HN 0.234 nan 8.270 nan 0.000 0.522 254 L N 2.231 123.340 121.223 -0.189 0.000 2.818 254 L HA 0.090 4.430 4.340 -0.000 0.000 0.243 254 L C 0.559 177.333 176.870 -0.159 0.000 1.185 254 L CA -0.245 54.483 54.840 -0.186 0.000 0.988 254 L CB -0.320 41.619 42.059 -0.200 0.000 1.292 254 L HN 0.591 nan 8.230 nan 0.000 0.519 255 D N 0.197 120.510 120.400 -0.144 0.000 2.399 255 D HA 0.030 4.670 4.640 -0.000 0.000 0.241 255 D C -1.969 174.225 176.300 -0.177 0.000 1.133 255 D CA -1.331 52.591 54.000 -0.131 0.000 0.890 255 D CB 1.687 42.421 40.800 -0.110 0.000 1.201 255 D HN -0.126 nan 8.370 nan 0.000 0.432 256 P HA -0.179 nan 4.420 nan 0.000 0.216 256 P C 1.379 178.319 177.300 -0.599 0.000 1.153 256 P CA 2.226 65.119 63.100 -0.345 0.000 0.858 256 P CB -0.042 31.421 31.700 -0.396 0.000 0.789 257 A N -0.635 121.805 122.820 -0.635 0.000 1.908 257 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 257 A C 2.378 179.799 177.584 -0.272 0.000 1.181 257 A CA 2.294 54.035 52.037 -0.494 0.000 0.627 257 A CB -1.566 17.306 19.000 -0.213 0.000 0.818 257 A HN 0.149 nan 8.150 nan 0.000 0.445 258 S N -0.168 115.401 115.700 -0.217 0.000 2.382 258 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 258 S C 1.791 176.267 174.600 -0.207 0.000 1.027 258 S CA 1.401 59.495 58.200 -0.176 0.000 0.991 258 S CB -0.401 62.704 63.200 -0.159 0.000 0.823 258 S HN 0.510 nan 8.310 nan 0.000 0.469 259 L N 0.776 121.856 121.223 -0.239 0.000 2.072 259 L HA -0.024 4.315 4.340 -0.000 0.000 0.205 259 L C 2.324 179.008 176.870 -0.311 0.000 1.079 259 L CA 0.705 55.336 54.840 -0.349 0.000 0.752 259 L CB -0.694 41.214 42.059 -0.252 0.000 0.906 259 L HN 0.184 nan 8.230 nan 0.000 0.436 260 V N 0.260 120.131 119.914 -0.072 0.000 2.332 260 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 260 V C 2.532 178.647 176.094 0.035 0.000 1.055 260 V CA 2.081 64.438 62.300 0.095 0.000 1.038 260 V CB -0.501 31.256 31.823 -0.109 0.000 0.651 260 V HN 0.537 nan 8.190 nan 0.000 0.450 261 E N 0.107 120.271 120.200 -0.059 0.000 2.070 261 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 261 E C 2.166 178.748 176.600 -0.030 0.000 1.004 261 E CA 1.738 58.118 56.400 -0.033 0.000 0.805 261 E CB -0.154 29.512 29.700 -0.058 0.000 0.744 261 E HN 0.605 nan 8.360 nan 0.000 0.451 262 L N -0.286 120.870 121.223 -0.111 0.000 2.109 262 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 262 L C 2.408 179.242 176.870 -0.061 0.000 1.086 262 L CA 0.482 55.241 54.840 -0.134 0.000 0.760 262 L CB -0.407 41.505 42.059 -0.244 0.000 0.910 262 L HN 0.135 nan 8.230 nan 0.000 0.437 263 F N 0.860 120.819 119.950 0.016 0.000 2.095 263 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 263 F C 2.320 178.147 175.800 0.045 0.000 1.104 263 F CA 1.419 59.439 58.000 0.034 0.000 1.232 263 F CB -0.532 38.497 39.000 0.048 0.000 0.987 263 F HN 0.134 nan 8.300 nan 0.000 0.475 264 D N -0.985 119.567 120.400 0.252 0.000 2.197 264 D HA 0.009 4.649 4.640 -0.000 0.000 0.212 264 D C 2.542 178.908 176.300 0.109 0.000 0.963 264 D CA 1.343 55.449 54.000 0.177 0.000 0.864 264 D CB -1.075 39.845 40.800 0.200 0.000 1.009 264 D HN 0.257 nan 8.370 nan 0.000 0.479 265 G N 0.714 109.561 108.800 0.079 0.000 2.432 265 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 265 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 265 G C 1.371 176.289 174.900 0.030 0.000 1.135 265 G CA 0.630 45.755 45.100 0.042 0.000 0.767 265 G HN 0.134 nan 8.290 nan 0.000 0.550 266 E N -0.215 120.006 120.200 0.036 0.000 2.481 266 E HA 0.184 4.534 4.350 -0.000 0.000 0.198 266 E C 1.528 178.157 176.600 0.048 0.000 1.027 266 E CA 0.446 56.861 56.400 0.026 0.000 0.900 266 E CB 0.266 29.969 29.700 0.006 0.000 0.993 266 E HN 0.371 nan 8.360 nan 0.000 0.482 267 G N 1.900 110.745 108.800 0.075 0.000 2.256 267 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.272 267 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.272 267 G C 0.372 175.332 174.900 0.099 0.000 1.076 267 G CA 0.321 45.469 45.100 0.079 0.000 0.882 267 G HN 0.135 nan 8.290 nan 0.000 0.497 268 V N 0.653 120.660 119.914 0.155 0.000 2.599 268 V HA 0.304 4.424 4.120 -0.000 0.000 0.300 268 V C 1.854 178.040 176.094 0.153 0.000 1.034 268 V CA 1.370 63.788 62.300 0.198 0.000 1.115 268 V CB 0.936 32.984 31.823 0.375 0.000 0.934 268 V HN 0.873 nan 8.190 nan 0.000 0.485 269 T N 1.536 116.174 114.554 0.140 0.000 3.018 269 T HA 0.220 4.570 4.350 -0.000 0.000 0.246 269 T C 0.038 174.827 174.700 0.147 0.000 1.026 269 T CA 0.108 62.274 62.100 0.110 0.000 1.081 269 T CB 0.171 69.097 68.868 0.096 0.000 0.970 269 T HN 0.360 nan 8.240 nan 0.000 0.475 270 F N 1.442 121.410 119.950 0.030 0.000 2.556 270 F HA 0.687 5.213 4.527 -0.000 0.000 0.314 270 F C -0.816 175.032 175.800 0.081 0.000 1.106 270 F CA -0.485 57.528 58.000 0.022 0.000 0.911 270 F CB 2.408 41.419 39.000 0.019 0.000 1.190 270 F HN 0.048 nan 8.300 nan 0.000 0.448 271 T N 3.841 117.978 114.554 -0.695 0.000 2.883 271 T HA 0.867 5.217 4.350 -0.000 0.000 0.301 271 T C -1.893 172.513 174.700 -0.490 0.000 1.158 271 T CA -0.346 61.545 62.100 -0.348 0.000 1.007 271 T CB 1.450 70.387 68.868 0.115 0.000 1.186 271 T HN 1.145 nan 8.240 nan 0.000 0.499 272 A N 1.175 124.034 122.820 0.064 0.000 2.517 272 A HA 0.930 5.250 4.320 -0.000 0.000 0.297 272 A C -0.117 177.741 177.584 0.457 0.000 1.050 272 A CA 0.003 52.233 52.037 0.322 0.000 0.694 272 A CB 1.427 20.642 19.000 0.357 0.000 1.277 272 A HN 1.458 nan 8.150 nan 0.000 0.400 273 G N -0.467 108.724 108.800 0.653 0.000 2.489 273 G HA2 0.711 4.671 3.960 -0.000 0.000 0.305 273 G HA3 0.711 4.671 3.960 -0.000 0.000 0.305 273 G C -0.612 174.407 174.900 0.199 0.000 1.311 273 G CA 0.248 45.357 45.100 0.016 0.000 0.813 273 G HN 2.005 nan 8.290 nan 0.000 0.480 274 V N -1.558 118.269 119.914 -0.146 0.000 2.904 274 V HA 0.607 4.727 4.120 -0.000 0.000 0.305 274 V C -1.477 174.560 176.094 -0.095 0.000 1.067 274 V CA -1.508 60.820 62.300 0.046 0.000 1.044 274 V CB 1.613 33.471 31.823 0.059 0.000 1.050 274 V HN 0.462 nan 8.190 nan 0.000 0.475 275 P HA -0.099 nan 4.420 nan 0.000 0.216 275 P C 1.744 179.085 177.300 0.069 0.000 1.150 275 P CA 1.954 65.151 63.100 0.161 0.000 0.843 275 P CB -0.076 31.724 31.700 0.167 0.000 0.787 276 T N -0.711 113.843 114.554 -0.001 0.000 2.720 276 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 276 T C 1.806 176.434 174.700 -0.120 0.000 1.037 276 T CA 1.401 63.464 62.100 -0.063 0.000 1.144 276 T CB -0.998 67.856 68.868 -0.025 0.000 0.864 276 T HN -0.094 nan 8.240 nan 0.000 0.444 277 V N -0.265 119.506 119.914 -0.238 0.000 2.358 277 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 277 V C 2.026 178.044 176.094 -0.128 0.000 1.047 277 V CA 1.346 63.446 62.300 -0.334 0.000 1.035 277 V CB -0.727 30.696 31.823 -0.668 0.000 0.658 277 V HN 0.661 nan 8.190 nan 0.000 0.452 278 W N -0.654 120.696 121.300 0.082 0.000 2.467 278 W HA 0.046 4.706 4.660 -0.000 0.000 0.275 278 W C 2.181 178.861 176.519 0.270 0.000 1.239 278 W CA -0.169 57.274 57.345 0.163 0.000 1.266 278 W CB -0.216 29.267 29.460 0.039 0.000 1.112 278 W HN 0.191 nan 8.180 nan 0.000 0.576 279 L N 0.118 121.540 121.223 0.331 0.000 2.109 279 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 279 L C 2.694 179.644 176.870 0.135 0.000 1.086 279 L CA 1.238 56.199 54.840 0.202 0.000 0.760 279 L CB -0.902 41.211 42.059 0.090 0.000 0.910 279 L HN -0.036 nan 8.230 nan 0.000 0.437 280 A N -0.345 122.530 122.820 0.092 0.000 1.969 280 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 280 A C 2.173 179.849 177.584 0.154 0.000 1.169 280 A CA 1.387 53.462 52.037 0.063 0.000 0.635 280 A CB -0.525 18.467 19.000 -0.014 0.000 0.810 280 A HN 0.313 nan 8.150 nan 0.000 0.445 281 L N -0.351 121.027 121.223 0.259 0.000 2.044 281 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 281 L C 2.676 179.713 176.870 0.278 0.000 1.075 281 L CA 2.064 57.110 54.840 0.344 0.000 0.747 281 L CB -0.764 41.646 42.059 0.584 0.000 0.903 281 L HN 0.312 nan 8.230 nan 0.000 0.435 282 A N -0.695 122.244 122.820 0.198 0.000 1.908 282 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 282 A C 2.005 179.574 177.584 -0.025 0.000 1.181 282 A CA 1.945 53.918 52.037 -0.107 0.000 0.627 282 A CB -0.910 17.966 19.000 -0.206 0.000 0.818 282 A HN 0.533 nan 8.150 nan 0.000 0.445 283 D N -1.671 118.758 120.400 0.048 0.000 2.123 283 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 283 D C 1.681 178.019 176.300 0.064 0.000 0.992 283 D CA 1.718 55.741 54.000 0.039 0.000 0.833 283 D CB -0.471 40.356 40.800 0.045 0.000 0.954 283 D HN 0.648 nan 8.370 nan 0.000 0.455 284 Y N 1.256 121.558 120.300 0.004 0.000 2.114 284 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 284 Y C 2.252 178.157 175.900 0.008 0.000 1.143 284 Y CA 1.386 59.492 58.100 0.010 0.000 1.135 284 Y CB -0.367 38.109 38.460 0.028 0.000 0.980 284 Y HN -0.099 nan 8.280 nan 0.000 0.499 285 L N -0.041 121.268 121.223 0.143 0.000 2.083 285 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 285 L C 2.329 179.160 176.870 -0.064 0.000 1.083 285 L CA 1.739 56.610 54.840 0.052 0.000 0.752 285 L CB -0.520 41.587 42.059 0.079 0.000 0.899 285 L HN 0.275 nan 8.230 nan 0.000 0.433 286 E N -0.407 119.746 120.200 -0.078 0.000 2.072 286 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 286 E C 2.291 178.835 176.600 -0.093 0.000 0.982 286 E CA 1.261 57.609 56.400 -0.087 0.000 0.803 286 E CB 0.087 29.736 29.700 -0.085 0.000 0.755 286 E HN 0.318 nan 8.360 nan 0.000 0.453 287 S N -0.082 115.551 115.700 -0.111 0.000 2.428 287 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 287 S C 2.091 176.597 174.600 -0.157 0.000 1.014 287 S CA 1.493 59.623 58.200 -0.117 0.000 0.957 287 S CB -0.101 63.036 63.200 -0.106 0.000 0.784 287 S HN 0.456 nan 8.310 nan 0.000 0.499 288 T N -2.290 112.123 114.554 -0.235 0.000 3.040 288 T HA 0.412 4.762 4.350 -0.000 0.000 0.252 288 T C 1.636 176.269 174.700 -0.112 0.000 1.064 288 T CA 0.838 62.803 62.100 -0.226 0.000 1.110 288 T CB -0.031 68.581 68.868 -0.427 0.000 0.921 288 T HN 0.511 nan 8.240 nan 0.000 0.480 289 G N 1.362 110.109 108.800 -0.089 0.000 2.159 289 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.256 289 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.256 289 G C -0.012 174.874 174.900 -0.022 0.000 0.977 289 G CA 0.227 45.295 45.100 -0.053 0.000 0.652 289 G HN 0.897 nan 8.290 nan 0.000 0.531 290 H N 1.146 120.167 119.070 -0.081 0.000 2.764 290 H HA 0.488 5.044 4.556 -0.000 0.000 0.341 290 H C 0.077 175.408 175.328 0.005 0.000 1.072 290 H CA 0.246 56.285 56.048 -0.015 0.000 1.444 290 H CB 0.550 30.335 29.762 0.039 0.000 1.458 290 H HN 0.102 nan 8.280 nan 0.000 0.572 291 R N 5.183 125.577 120.500 -0.176 0.000 2.494 291 R HA 0.284 4.623 4.340 -0.000 0.000 0.305 291 R C -0.260 176.048 176.300 0.012 0.000 0.959 291 R CA -0.989 55.092 56.100 -0.031 0.000 0.864 291 R CB 1.273 31.527 30.300 -0.077 0.000 1.159 291 R HN 0.596 nan 8.270 nan 0.000 0.446 292 L N 4.050 125.345 121.223 0.120 0.000 2.453 292 L HA 0.076 4.416 4.340 -0.000 0.000 0.272 292 L C 1.794 178.687 176.870 0.039 0.000 1.182 292 L CA 0.252 55.160 54.840 0.113 0.000 0.858 292 L CB 0.496 42.556 42.059 0.003 0.000 1.120 292 L HN 0.593 nan 8.230 nan 0.000 0.474 293 K N 0.008 120.442 120.400 0.058 0.000 2.284 293 K HA 0.001 4.321 4.320 -0.000 0.000 0.198 293 K C 1.172 177.786 176.600 0.023 0.000 1.048 293 K CA 1.103 57.406 56.287 0.027 0.000 0.987 293 K CB 0.134 32.653 32.500 0.031 0.000 0.800 293 K HN 0.744 nan 8.250 nan 0.000 0.486 294 T N -1.569 113.004 114.554 0.033 0.000 2.954 294 T HA 0.178 4.528 4.350 -0.000 0.000 0.252 294 T C 0.373 175.076 174.700 0.006 0.000 0.983 294 T CA -0.551 61.566 62.100 0.029 0.000 0.941 294 T CB -0.037 68.864 68.868 0.056 0.000 1.141 294 T HN 0.043 nan 8.240 nan 0.000 0.500 295 L N 2.977 124.176 121.223 -0.039 0.000 2.477 295 L HA 0.375 4.715 4.340 -0.000 0.000 0.272 295 L C 1.144 177.961 176.870 -0.089 0.000 1.157 295 L CA 0.170 54.944 54.840 -0.111 0.000 0.889 295 L CB 0.333 42.202 42.059 -0.317 0.000 1.158 295 L HN 0.114 nan 8.230 nan 0.000 0.473 296 R N 3.804 124.268 120.500 -0.060 0.000 2.194 296 R HA 0.298 4.638 4.340 -0.000 0.000 0.194 296 R C -0.133 176.132 176.300 -0.057 0.000 0.985 296 R CA -0.065 56.013 56.100 -0.037 0.000 1.104 296 R CB 0.410 30.712 30.300 0.004 0.000 1.092 296 R HN 0.518 nan 8.270 nan 0.000 0.555 297 R N 1.085 121.548 120.500 -0.061 0.000 2.599 297 R HA 0.494 4.834 4.340 -0.000 0.000 0.295 297 R C -1.306 174.805 176.300 -0.316 0.000 0.963 297 R CA -0.634 55.417 56.100 -0.081 0.000 0.883 297 R CB 2.462 32.847 30.300 0.143 0.000 1.171 297 R HN -0.036 nan 8.270 nan 0.000 0.450 298 L N 2.779 123.766 121.223 -0.393 0.000 2.439 298 L HA 0.476 4.816 4.340 -0.000 0.000 0.270 298 L C -1.074 175.541 176.870 -0.425 0.000 0.972 298 L CA -0.962 53.503 54.840 -0.625 0.000 0.836 298 L CB 2.115 43.610 42.059 -0.939 0.000 1.255 298 L HN 0.535 nan 8.230 nan 0.000 0.404 299 V N 5.232 124.946 119.914 -0.333 0.000 2.472 299 V HA 0.690 4.810 4.120 -0.000 0.000 0.290 299 V C -1.255 174.933 176.094 0.157 0.000 1.037 299 V CA -0.320 61.953 62.300 -0.046 0.000 0.908 299 V CB 1.885 33.763 31.823 0.093 0.000 0.985 299 V HN 0.593 nan 8.190 nan 0.000 0.454 300 V N 6.816 126.827 119.914 0.161 0.000 2.448 300 V HA 1.016 5.135 4.120 -0.000 0.000 0.295 300 V C 0.292 176.496 176.094 0.184 0.000 1.025 300 V CA 0.788 63.284 62.300 0.326 0.000 0.859 300 V CB 0.924 32.924 31.823 0.295 0.000 0.988 300 V HN 1.455 nan 8.190 nan 0.000 0.431 301 G N 3.236 112.160 108.800 0.206 0.000 2.921 301 G HA2 0.656 4.616 3.960 -0.000 0.000 0.291 301 G HA3 0.656 4.616 3.960 -0.000 0.000 0.291 301 G C 0.578 175.577 174.900 0.164 0.000 1.370 301 G CA -0.261 44.778 45.100 -0.102 0.000 0.847 301 G HN 1.839 nan 8.290 nan 0.000 0.532 302 G N -1.139 107.710 108.800 0.081 0.000 2.458 302 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.237 302 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.237 302 G C 0.698 175.687 174.900 0.150 0.000 1.113 302 G CA 1.483 46.719 45.100 0.228 0.000 0.655 302 G HN 1.973 nan 8.290 nan 0.000 0.513 303 S N -0.728 115.065 115.700 0.155 0.000 2.638 303 S HA 0.768 5.238 4.470 -0.000 0.000 0.274 303 S C 0.044 174.732 174.600 0.148 0.000 1.157 303 S CA 0.678 58.958 58.200 0.134 0.000 0.826 303 S CB 1.324 64.585 63.200 0.102 0.000 1.139 303 S HN 1.899 nan 8.310 nan 0.000 0.474 304 A N 1.638 124.540 122.820 0.137 0.000 2.492 304 A HA 0.590 4.910 4.320 -0.000 0.000 0.254 304 A C 0.508 178.168 177.584 0.127 0.000 1.091 304 A CA 0.287 52.398 52.037 0.124 0.000 0.768 304 A CB -0.482 18.582 19.000 0.106 0.000 1.028 304 A HN 1.286 nan 8.150 nan 0.000 0.498 305 A N 5.278 128.173 122.820 0.126 0.000 2.404 305 A HA 0.577 4.896 4.320 -0.000 0.000 0.273 305 A C -2.231 175.419 177.584 0.110 0.000 1.144 305 A CA -1.326 50.790 52.037 0.132 0.000 0.806 305 A CB -0.476 18.602 19.000 0.130 0.000 1.080 305 A HN 0.655 nan 8.150 nan 0.000 0.509 306 P HA 0.093 nan 4.420 nan 0.000 0.267 306 P C 0.974 178.323 177.300 0.082 0.000 1.200 306 P CA -0.302 62.854 63.100 0.092 0.000 0.772 306 P CB 0.526 32.283 31.700 0.095 0.000 0.855 307 R N 1.837 122.374 120.500 0.061 0.000 2.117 307 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 307 R C 1.955 178.285 176.300 0.050 0.000 1.143 307 R CA 2.350 58.479 56.100 0.048 0.000 0.968 307 R CB -0.481 29.838 30.300 0.031 0.000 0.863 307 R HN 0.656 nan 8.270 nan 0.000 0.444 308 S N 0.226 115.956 115.700 0.051 0.000 2.406 308 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 308 S C 1.916 176.557 174.600 0.068 0.000 1.020 308 S CA 0.740 58.967 58.200 0.045 0.000 0.965 308 S CB -0.284 62.936 63.200 0.034 0.000 0.798 308 S HN 0.295 nan 8.310 nan 0.000 0.488 309 L N 1.709 122.996 121.223 0.106 0.000 2.046 309 L HA 0.173 4.512 4.340 -0.000 0.000 0.208 309 L C 2.144 179.147 176.870 0.220 0.000 1.077 309 L CA 1.438 56.385 54.840 0.179 0.000 0.747 309 L CB -0.647 41.538 42.059 0.211 0.000 0.896 309 L HN 0.343 nan 8.230 nan 0.000 0.432 310 I N -0.550 120.107 120.570 0.146 0.000 2.252 310 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 310 I C 2.580 178.761 176.117 0.107 0.000 1.102 310 I CA 1.135 62.508 61.300 0.121 0.000 1.385 310 I CB -0.671 37.373 38.000 0.072 0.000 1.064 310 I HN 0.328 nan 8.210 nan 0.000 0.414 311 A N 0.888 123.749 122.820 0.068 0.000 1.902 311 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 311 A C 2.386 179.981 177.584 0.018 0.000 1.181 311 A CA 1.557 53.615 52.037 0.035 0.000 0.623 311 A CB -0.571 18.440 19.000 0.018 0.000 0.818 311 A HN 0.310 nan 8.150 nan 0.000 0.443 312 R N -1.882 118.622 120.500 0.007 0.000 2.081 312 R HA -0.088 4.251 4.340 -0.000 0.000 0.235 312 R C 1.807 178.006 176.300 -0.168 0.000 1.131 312 R CA 1.729 57.770 56.100 -0.097 0.000 0.960 312 R CB -0.415 29.795 30.300 -0.150 0.000 0.856 312 R HN 0.555 nan 8.270 nan 0.000 0.436 313 F N 0.995 120.918 119.950 -0.045 0.000 2.234 313 F HA -0.053 4.474 4.527 -0.000 0.000 0.296 313 F C 2.386 178.139 175.800 -0.077 0.000 1.089 313 F CA 0.996 58.947 58.000 -0.082 0.000 1.343 313 F CB -0.005 38.914 39.000 -0.135 0.000 1.040 313 F HN -0.060 nan 8.300 nan 0.000 0.498 314 E N 0.020 120.288 120.200 0.113 0.000 2.204 314 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 314 E C 2.218 178.827 176.600 0.015 0.000 0.989 314 E CA 0.545 56.975 56.400 0.049 0.000 0.824 314 E CB -0.340 29.382 29.700 0.036 0.000 0.756 314 E HN 0.382 nan 8.360 nan 0.000 0.477 315 R N 0.214 120.711 120.500 -0.005 0.000 2.189 315 R HA 0.009 4.349 4.340 -0.000 0.000 0.223 315 R C 1.785 178.064 176.300 -0.036 0.000 1.092 315 R CA 0.714 56.798 56.100 -0.027 0.000 0.989 315 R CB 0.093 30.365 30.300 -0.045 0.000 0.876 315 R HN 0.108 nan 8.270 nan 0.000 0.457 316 M N -1.223 118.355 119.600 -0.037 0.000 2.383 316 M HA 0.200 4.680 4.480 -0.000 0.000 0.247 316 M C 0.703 176.995 176.300 -0.013 0.000 1.117 316 M CA 0.547 55.824 55.300 -0.038 0.000 0.995 316 M CB 1.499 34.057 32.600 -0.070 0.000 1.480 316 M HN 0.375 nan 8.290 nan 0.000 0.485 317 G N 0.999 109.798 108.800 -0.003 0.000 2.141 317 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 317 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 317 G C -0.077 174.822 174.900 -0.002 0.000 0.982 317 G CA -0.272 44.827 45.100 -0.003 0.000 0.662 317 G HN 0.320 nan 8.290 nan 0.000 0.527 318 V N 1.210 121.133 119.914 0.015 0.000 2.364 318 V HA 0.420 4.540 4.120 -0.000 0.000 0.272 318 V C 0.749 176.828 176.094 -0.025 0.000 1.036 318 V CA -0.650 61.640 62.300 -0.016 0.000 0.880 318 V CB 1.685 33.508 31.823 -0.001 0.000 0.991 318 V HN 0.424 nan 8.190 nan 0.000 0.460 319 E N 3.954 124.128 120.200 -0.042 0.000 2.324 319 E HA 0.294 4.644 4.350 -0.000 0.000 0.271 319 E C -1.160 175.395 176.600 -0.075 0.000 1.028 319 E CA -0.273 56.110 56.400 -0.028 0.000 0.890 319 E CB 1.179 30.879 29.700 0.000 0.000 1.004 319 E HN 0.514 nan 8.360 nan 0.000 0.431 320 V N 6.323 126.206 119.914 -0.051 0.000 2.384 320 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 320 V C -0.081 176.005 176.094 -0.013 0.000 1.020 320 V CA -0.600 61.648 62.300 -0.088 0.000 0.850 320 V CB 1.413 33.190 31.823 -0.077 0.000 0.987 320 V HN 0.653 nan 8.190 nan 0.000 0.436 321 R N 3.315 123.812 120.500 -0.006 0.000 2.409 321 R HA 0.418 4.758 4.340 -0.000 0.000 0.313 321 R C -0.537 175.804 176.300 0.069 0.000 0.953 321 R CA -0.610 55.529 56.100 0.065 0.000 0.849 321 R CB 2.290 32.653 30.300 0.106 0.000 1.171 321 R HN 0.763 nan 8.270 nan 0.000 0.458 322 Q N 1.257 121.109 119.800 0.088 0.000 2.314 322 Q HA 0.368 4.708 4.340 -0.000 0.000 0.258 322 Q C -0.468 175.588 176.000 0.094 0.000 0.954 322 Q CA -0.089 55.768 55.803 0.091 0.000 0.890 322 Q CB 1.252 30.050 28.738 0.100 0.000 1.210 322 Q HN 0.788 nan 8.270 nan 0.000 0.410 323 G N 2.437 111.266 108.800 0.049 0.000 2.542 323 G HA2 0.457 4.417 3.960 -0.000 0.000 0.311 323 G HA3 0.457 4.417 3.960 -0.000 0.000 0.311 323 G C -2.248 172.664 174.900 0.020 0.000 1.298 323 G CA -0.441 44.667 45.100 0.014 0.000 0.973 323 G HN 0.613 nan 8.290 nan 0.000 0.487 324 Y N 0.816 121.080 120.300 -0.059 0.000 2.477 324 Y HA 0.752 5.302 4.550 -0.000 0.000 0.347 324 Y C 0.099 176.001 175.900 0.004 0.000 0.981 324 Y CA -0.155 57.930 58.100 -0.026 0.000 1.033 324 Y CB 2.221 40.710 38.460 0.048 0.000 1.245 324 Y HN 1.051 nan 8.280 nan 0.000 0.455 325 G N 3.731 112.082 108.800 -0.748 0.000 2.430 325 G HA2 0.524 4.484 3.960 -0.000 0.000 0.300 325 G HA3 0.524 4.484 3.960 -0.000 0.000 0.300 325 G C -2.673 172.013 174.900 -0.357 0.000 1.330 325 G CA -0.995 43.753 45.100 -0.586 0.000 0.813 325 G HN 0.691 nan 8.290 nan 0.000 0.487 326 L N -1.009 120.151 121.223 -0.105 0.000 2.359 326 L HA 0.572 4.912 4.340 -0.000 0.000 0.256 326 L C 1.706 178.661 176.870 0.143 0.000 1.026 326 L CA -0.555 54.330 54.840 0.075 0.000 0.828 326 L CB 1.720 43.870 42.059 0.152 0.000 1.406 326 L HN 0.613 nan 8.230 nan 0.000 0.413 327 T N -1.161 113.519 114.554 0.210 0.000 2.778 327 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 327 T C 1.214 176.039 174.700 0.209 0.000 1.050 327 T CA 1.896 64.146 62.100 0.250 0.000 1.137 327 T CB -0.094 68.929 68.868 0.259 0.000 0.860 327 T HN 0.540 nan 8.240 nan 0.000 0.468 328 E N 0.558 120.806 120.200 0.080 0.000 2.427 328 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 328 E C 1.999 178.508 176.600 -0.152 0.000 1.028 328 E CA 0.999 57.300 56.400 -0.165 0.000 0.864 328 E CB 0.053 29.470 29.700 -0.472 0.000 0.813 328 E HN 0.643 nan 8.360 nan 0.000 0.514 329 T N -4.457 110.123 114.554 0.042 0.000 3.145 329 T HA 0.310 4.660 4.350 -0.000 0.000 0.281 329 T C 0.722 175.597 174.700 0.291 0.000 1.003 329 T CA 0.116 62.308 62.100 0.153 0.000 0.901 329 T CB 0.417 69.371 68.868 0.143 0.000 1.112 329 T HN -0.042 nan 8.240 nan 0.000 0.535 330 S N 0.968 116.772 115.700 0.173 0.000 2.488 330 S HA -0.073 4.397 4.470 -0.000 0.000 0.258 330 S C -1.651 172.666 174.600 -0.472 0.000 1.281 330 S CA 0.917 59.031 58.200 -0.142 0.000 1.334 330 S CB -1.848 61.276 63.200 -0.125 0.000 1.647 330 S HN 0.598 nan 8.310 nan 0.000 0.635 331 P HA 0.371 nan 4.420 nan 0.000 0.277 331 P C 0.072 177.465 177.300 0.156 0.000 1.260 331 P CA 0.135 63.271 63.100 0.060 0.000 0.878 331 P CB 0.124 31.839 31.700 0.025 0.000 1.319 332 V N 2.592 122.719 119.914 0.356 0.000 2.485 332 V HA 0.035 4.155 4.120 -0.000 0.000 0.287 332 V C 1.844 178.124 176.094 0.310 0.000 1.022 332 V CA 0.586 62.996 62.300 0.184 0.000 1.067 332 V CB 0.902 32.731 31.823 0.010 0.000 0.967 332 V HN 0.016 nan 8.190 nan 0.000 0.479 333 V N 2.793 122.865 119.914 0.263 0.000 3.480 333 V HA 0.418 4.538 4.120 -0.000 0.000 0.263 333 V C 0.209 176.481 176.094 0.297 0.000 1.442 333 V CA 0.014 62.518 62.300 0.340 0.000 1.053 333 V CB 0.798 32.806 31.823 0.308 0.000 0.846 333 V HN 0.440 nan 8.190 nan 0.000 0.440 334 V N 1.418 121.509 119.914 0.296 0.000 2.686 334 V HA 0.602 4.722 4.120 -0.000 0.000 0.306 334 V C -1.079 175.142 176.094 0.213 0.000 1.065 334 V CA -0.256 62.210 62.300 0.277 0.000 0.894 334 V CB 1.823 33.859 31.823 0.355 0.000 1.004 334 V HN 0.550 nan 8.190 nan 0.000 0.424 335 Q N 2.548 122.462 119.800 0.188 0.000 2.372 335 Q HA 0.448 4.788 4.340 -0.000 0.000 0.273 335 Q C -0.858 175.274 176.000 0.221 0.000 1.078 335 Q CA -0.666 55.249 55.803 0.186 0.000 0.806 335 Q CB 2.839 31.682 28.738 0.174 0.000 1.332 335 Q HN 0.765 nan 8.270 nan 0.000 0.435 336 N N 1.779 120.605 118.700 0.210 0.000 2.434 336 N HA 0.549 5.289 4.740 -0.000 0.000 0.272 336 N C -1.572 174.128 175.510 0.316 0.000 1.040 336 N CA -0.261 52.921 53.050 0.219 0.000 0.956 336 N CB 0.538 39.131 38.487 0.176 0.000 1.108 336 N HN 0.414 nan 8.380 nan 0.000 0.481 337 F N 1.041 121.079 119.950 0.146 0.000 2.654 337 F HA 0.541 5.068 4.527 -0.000 0.000 0.308 337 F C -1.596 174.316 175.800 0.186 0.000 1.108 337 F CA -1.238 56.836 58.000 0.123 0.000 0.957 337 F CB 0.534 39.580 39.000 0.077 0.000 1.309 337 F HN 0.004 nan 8.300 nan 0.000 0.446 338 V N 3.417 123.431 119.914 0.168 0.000 2.432 338 V HA 0.221 4.341 4.120 -0.000 0.000 0.271 338 V C 0.348 176.495 176.094 0.088 0.000 1.046 338 V CA -0.786 61.550 62.300 0.060 0.000 0.945 338 V CB 0.741 32.597 31.823 0.054 0.000 0.992 338 V HN 0.704 nan 8.190 nan 0.000 0.471 339 K N 2.972 123.353 120.400 -0.031 0.000 2.436 339 K HA 0.038 4.358 4.320 -0.000 0.000 0.275 339 K C 1.549 178.198 176.600 0.082 0.000 0.999 339 K CA 0.508 56.834 56.287 0.065 0.000 0.980 339 K CB 0.667 33.196 32.500 0.048 0.000 0.919 339 K HN 0.907 nan 8.250 nan 0.000 0.484 340 S N 2.125 117.935 115.700 0.183 0.000 2.372 340 S HA -0.283 4.187 4.470 -0.000 0.000 0.227 340 S C 1.857 176.525 174.600 0.114 0.000 1.044 340 S CA 2.033 60.321 58.200 0.146 0.000 1.050 340 S CB -0.765 62.531 63.200 0.159 0.000 0.901 340 S HN 0.885 nan 8.310 nan 0.000 0.447 341 H N 0.713 119.817 119.070 0.057 0.000 2.559 341 H HA 0.343 4.899 4.556 -0.000 0.000 0.273 341 H C 1.364 176.709 175.328 0.027 0.000 1.000 341 H CA 0.753 56.824 56.048 0.037 0.000 1.195 341 H CB -0.393 29.389 29.762 0.032 0.000 1.368 341 H HN 0.414 nan 8.280 nan 0.000 0.592 342 L N 0.501 121.486 121.223 -0.396 0.000 2.728 342 L HA 0.150 4.490 4.340 -0.000 0.000 0.238 342 L C 1.361 178.152 176.870 -0.132 0.000 1.143 342 L CA -0.057 54.597 54.840 -0.311 0.000 0.937 342 L CB 0.244 42.077 42.059 -0.377 0.000 1.225 342 L HN 0.251 nan 8.230 nan 0.000 0.507 343 E N 0.362 120.524 120.200 -0.064 0.000 2.347 343 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 343 E C 2.088 178.677 176.600 -0.018 0.000 1.008 343 E CA 1.152 57.540 56.400 -0.020 0.000 0.852 343 E CB 0.217 29.925 29.700 0.015 0.000 0.783 343 E HN 0.475 nan 8.360 nan 0.000 0.505 344 S N -0.052 115.636 115.700 -0.020 0.000 2.603 344 S HA 0.070 4.540 4.470 -0.000 0.000 0.220 344 S C 1.135 175.722 174.600 -0.022 0.000 0.967 344 S CA -0.218 57.976 58.200 -0.011 0.000 0.920 344 S CB -0.249 62.954 63.200 0.004 0.000 0.773 344 S HN 0.038 nan 8.310 nan 0.000 0.529 345 L N 3.096 124.294 121.223 -0.042 0.000 2.482 345 L HA 0.184 4.523 4.340 -0.000 0.000 0.273 345 L C 1.132 177.982 176.870 -0.034 0.000 1.228 345 L CA -0.401 54.411 54.840 -0.046 0.000 0.827 345 L CB 0.223 42.238 42.059 -0.073 0.000 1.099 345 L HN 0.380 nan 8.230 nan 0.000 0.494 346 S N 0.213 115.895 115.700 -0.031 0.000 2.580 346 S HA -0.001 4.469 4.470 -0.000 0.000 0.266 346 S C 0.897 175.482 174.600 -0.026 0.000 1.354 346 S CA -0.474 57.712 58.200 -0.024 0.000 1.008 346 S CB 0.940 64.127 63.200 -0.021 0.000 0.898 346 S HN 0.714 nan 8.310 nan 0.000 0.555 347 E N 0.586 120.774 120.200 -0.019 0.000 2.086 347 E HA -0.256 4.094 4.350 -0.000 0.000 0.200 347 E C 2.014 178.601 176.600 -0.021 0.000 1.012 347 E CA 1.756 58.146 56.400 -0.017 0.000 0.812 347 E CB -0.168 29.525 29.700 -0.013 0.000 0.743 347 E HN 0.868 nan 8.360 nan 0.000 0.453 348 E N 0.244 120.432 120.200 -0.021 0.000 2.051 348 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 348 E C 1.907 178.488 176.600 -0.031 0.000 0.991 348 E CA 1.143 57.530 56.400 -0.022 0.000 0.799 348 E CB 0.077 29.766 29.700 -0.019 0.000 0.748 348 E HN 0.283 nan 8.360 nan 0.000 0.449 349 E N 0.212 120.389 120.200 -0.039 0.000 2.106 349 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 349 E C 2.103 178.658 176.600 -0.075 0.000 0.984 349 E CA 0.762 57.128 56.400 -0.057 0.000 0.806 349 E CB 0.073 29.738 29.700 -0.059 0.000 0.750 349 E HN 0.086 nan 8.360 nan 0.000 0.458 350 K N 0.421 120.783 120.400 -0.063 0.000 2.097 350 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 350 K C 2.120 178.687 176.600 -0.054 0.000 1.050 350 K CA 0.463 56.710 56.287 -0.067 0.000 0.938 350 K CB -0.030 32.443 32.500 -0.044 0.000 0.718 350 K HN 0.022 nan 8.250 nan 0.000 0.442 351 L N 1.095 122.297 121.223 -0.035 0.000 2.083 351 L HA -0.154 4.185 4.340 -0.000 0.000 0.209 351 L C 1.910 178.764 176.870 -0.027 0.000 1.083 351 L CA 1.893 56.721 54.840 -0.020 0.000 0.752 351 L CB -0.662 41.392 42.059 -0.010 0.000 0.899 351 L HN 0.116 nan 8.230 nan 0.000 0.433 352 T N -0.553 113.975 114.554 -0.043 0.000 2.777 352 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 352 T C 1.788 176.438 174.700 -0.084 0.000 1.040 352 T CA 1.494 63.563 62.100 -0.050 0.000 1.141 352 T CB -0.339 68.497 68.868 -0.053 0.000 0.868 352 T HN 0.266 nan 8.240 nan 0.000 0.444 353 L N 1.046 122.189 121.223 -0.134 0.000 2.083 353 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 353 L C 2.144 178.924 176.870 -0.150 0.000 1.083 353 L CA 1.765 56.462 54.840 -0.238 0.000 0.752 353 L CB -0.377 41.482 42.059 -0.335 0.000 0.899 353 L HN 0.065 nan 8.230 nan 0.000 0.433 354 K N -0.820 119.540 120.400 -0.067 0.000 2.211 354 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 354 K C 1.947 178.560 176.600 0.022 0.000 1.050 354 K CA 0.948 57.234 56.287 -0.001 0.000 0.945 354 K CB -0.210 32.297 32.500 0.012 0.000 0.732 354 K HN 0.450 nan 8.250 nan 0.000 0.451 355 A N 1.447 124.271 122.820 0.006 0.000 2.119 355 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 355 A C 0.466 178.069 177.584 0.032 0.000 1.152 355 A CA 0.585 52.638 52.037 0.026 0.000 0.708 355 A CB -0.049 18.963 19.000 0.019 0.000 0.805 355 A HN 0.117 nan 8.150 nan 0.000 0.460 356 K N -0.366 120.044 120.400 0.017 0.000 2.276 356 K HA 0.210 4.530 4.320 -0.000 0.000 0.259 356 K C 0.968 177.620 176.600 0.087 0.000 1.001 356 K CA 0.322 56.635 56.287 0.044 0.000 0.927 356 K CB 0.397 32.916 32.500 0.031 0.000 0.969 356 K HN 0.155 nan 8.250 nan 0.000 0.490 357 T N 0.298 114.898 114.554 0.078 0.000 2.746 357 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 357 T C 0.969 175.742 174.700 0.122 0.000 1.039 357 T CA 1.192 63.333 62.100 0.067 0.000 1.142 357 T CB -0.143 68.695 68.868 -0.049 0.000 0.866 357 T HN 0.915 nan 8.240 nan 0.000 0.444 358 G N -0.022 108.879 108.800 0.168 0.000 2.270 358 G HA2 0.157 4.117 3.960 -0.000 0.000 0.268 358 G HA3 0.157 4.117 3.960 -0.000 0.000 0.268 358 G C -1.841 173.065 174.900 0.009 0.000 1.312 358 G CA -1.026 44.174 45.100 0.166 0.000 1.050 358 G HN 0.337 nan 8.290 nan 0.000 0.474 359 L N 1.457 122.624 121.223 -0.094 0.000 2.325 359 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 359 L C -2.151 174.757 176.870 0.065 0.000 1.023 359 L CA -1.999 52.757 54.840 -0.139 0.000 0.811 359 L CB 2.264 44.134 42.059 -0.314 0.000 1.249 359 L HN 0.284 nan 8.230 nan 0.000 0.431 360 P HA 0.074 nan 4.420 nan 0.000 0.265 360 P C -0.556 176.838 177.300 0.157 0.000 1.193 360 P CA -0.024 63.167 63.100 0.153 0.000 0.765 360 P CB 0.368 32.162 31.700 0.156 0.000 0.823 361 I N 1.556 122.238 120.570 0.186 0.000 2.934 361 I HA 0.600 4.770 4.170 -0.000 0.000 0.315 361 I C -2.401 173.822 176.117 0.176 0.000 0.997 361 I CA -3.125 58.287 61.300 0.186 0.000 1.184 361 I CB 0.351 38.469 38.000 0.197 0.000 1.400 361 I HN 0.114 nan 8.210 nan 0.000 0.549 362 P HA 0.131 nan 4.420 nan 0.000 0.265 362 P C -0.029 177.357 177.300 0.144 0.000 1.187 362 P CA 0.168 63.350 63.100 0.137 0.000 0.766 362 P CB 0.219 31.996 31.700 0.128 0.000 0.820 363 L N -1.258 119.979 121.223 0.024 0.000 4.496 363 L HA -0.176 4.164 4.340 -0.000 0.000 0.419 363 L C -0.358 176.305 176.870 -0.345 0.000 1.139 363 L CA 0.155 54.909 54.840 -0.144 0.000 0.975 363 L CB -2.101 39.870 42.059 -0.147 0.000 2.099 363 L HN 0.156 nan 8.230 nan 0.000 0.818 364 V N 0.274 120.092 119.914 -0.161 0.000 2.444 364 V HA 0.391 4.511 4.120 -0.000 0.000 0.294 364 V C 0.529 176.615 176.094 -0.013 0.000 1.022 364 V CA -0.405 61.810 62.300 -0.141 0.000 0.850 364 V CB 2.003 33.827 31.823 0.001 0.000 0.992 364 V HN 0.219 nan 8.190 nan 0.000 0.426 365 R N 4.655 125.148 120.500 -0.011 0.000 2.204 365 R HA 0.595 4.935 4.340 -0.000 0.000 0.341 365 R C -1.092 175.346 176.300 0.229 0.000 1.035 365 R CA -0.374 55.794 56.100 0.113 0.000 0.887 365 R CB 0.708 31.062 30.300 0.091 0.000 1.114 365 R HN 0.716 nan 8.270 nan 0.000 0.473 366 L N 5.222 126.588 121.223 0.239 0.000 2.329 366 L HA 0.614 4.954 4.340 -0.000 0.000 0.279 366 L C -0.865 176.140 176.870 0.225 0.000 1.014 366 L CA -0.669 54.313 54.840 0.236 0.000 0.814 366 L CB 0.964 43.148 42.059 0.208 0.000 1.257 366 L HN 0.703 nan 8.230 nan 0.000 0.424 367 R N 3.269 123.793 120.500 0.041 0.000 2.771 367 R HA 0.705 5.045 4.340 -0.000 0.000 0.274 367 R C -2.054 173.874 176.300 -0.619 0.000 0.987 367 R CA -0.957 54.999 56.100 -0.240 0.000 0.908 367 R CB 1.836 32.038 30.300 -0.164 0.000 1.213 367 R HN 0.354 nan 8.270 nan 0.000 0.468 368 V N 1.830 120.940 119.914 -1.340 0.000 2.294 368 V HA 0.647 4.767 4.120 -0.000 0.000 0.272 368 V C -0.155 175.570 176.094 -0.614 0.000 1.027 368 V CA -0.363 61.315 62.300 -1.037 0.000 0.823 368 V CB 0.566 31.489 31.823 -1.500 0.000 1.030 368 V HN 0.921 nan 8.190 nan 0.000 0.457 369 A N 3.905 126.511 122.820 -0.356 0.000 2.386 369 A HA 0.885 5.205 4.320 -0.000 0.000 0.308 369 A C -0.336 177.160 177.584 -0.146 0.000 1.128 369 A CA -0.700 51.208 52.037 -0.215 0.000 0.789 369 A CB 1.445 20.310 19.000 -0.225 0.000 1.325 369 A HN 0.792 nan 8.150 nan 0.000 0.437 370 D N -0.332 120.011 120.400 -0.095 0.000 2.453 370 D HA 0.187 4.827 4.640 -0.000 0.000 0.282 370 D C 0.581 176.843 176.300 -0.064 0.000 1.222 370 D CA 0.014 53.974 54.000 -0.066 0.000 1.079 370 D CB 0.046 40.824 40.800 -0.037 0.000 1.128 370 D HN 0.528 nan 8.370 nan 0.000 0.568 371 E N -0.857 119.316 120.200 -0.045 0.000 2.204 371 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 371 E C 1.383 177.961 176.600 -0.036 0.000 0.989 371 E CA 0.818 57.195 56.400 -0.039 0.000 0.824 371 E CB 0.050 29.734 29.700 -0.027 0.000 0.756 371 E HN 0.478 nan 8.360 nan 0.000 0.477 372 E N -0.566 119.613 120.200 -0.035 0.000 2.474 372 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 372 E C 1.196 177.769 176.600 -0.044 0.000 1.041 372 E CA 0.691 57.073 56.400 -0.030 0.000 0.874 372 E CB 0.744 30.431 29.700 -0.021 0.000 0.914 372 E HN 0.281 nan 8.360 nan 0.000 0.498 373 G N 1.993 110.752 108.800 -0.069 0.000 2.134 373 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.209 373 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.209 373 G C -0.059 174.768 174.900 -0.121 0.000 0.993 373 G CA -0.201 44.830 45.100 -0.114 0.000 0.669 373 G HN 0.182 nan 8.290 nan 0.000 0.519 374 R N 0.753 121.208 120.500 -0.074 0.000 2.297 374 R HA 0.504 4.844 4.340 -0.000 0.000 0.308 374 R C -2.495 173.789 176.300 -0.026 0.000 1.029 374 R CA -1.891 54.184 56.100 -0.043 0.000 0.929 374 R CB 0.925 31.216 30.300 -0.015 0.000 1.046 374 R HN 0.062 nan 8.270 nan 0.000 0.461 375 P HA -0.088 nan 4.420 nan 0.000 0.264 375 P C -0.312 177.089 177.300 0.169 0.000 1.193 375 P CA -0.140 63.044 63.100 0.139 0.000 0.763 375 P CB 0.489 32.360 31.700 0.285 0.000 0.810 376 V N 2.217 122.243 119.914 0.187 0.000 2.953 376 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 376 V C -2.328 173.984 176.094 0.362 0.000 1.073 376 V CA -2.521 59.897 62.300 0.196 0.000 1.064 376 V CB -0.246 31.633 31.823 0.092 0.000 1.047 376 V HN 0.356 nan 8.190 nan 0.000 0.478 377 P HA 0.115 nan 4.420 nan 0.000 0.265 377 P C -0.444 176.966 177.300 0.182 0.000 1.187 377 P CA 0.219 63.408 63.100 0.149 0.000 0.766 377 P CB 0.138 31.890 31.700 0.087 0.000 0.820 378 K N 2.236 122.623 120.400 -0.021 0.000 3.165 378 K HA 0.032 4.352 4.320 -0.000 0.000 0.259 378 K C 0.024 176.595 176.600 -0.049 0.000 1.282 378 K CA 0.171 56.345 56.287 -0.188 0.000 1.259 378 K CB -0.210 31.990 32.500 -0.500 0.000 1.546 378 K HN 0.481 nan 8.250 nan 0.000 0.384 379 D N -0.912 119.515 120.400 0.045 0.000 2.369 379 D HA 0.042 4.682 4.640 -0.000 0.000 0.211 379 D C 1.065 177.400 176.300 0.059 0.000 1.077 379 D CA 0.046 54.068 54.000 0.038 0.000 0.842 379 D CB 0.342 41.164 40.800 0.036 0.000 0.947 379 D HN 0.230 nan 8.370 nan 0.000 0.509 380 G N 0.375 109.239 108.800 0.107 0.000 2.153 380 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.252 380 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.252 380 G C 0.916 175.865 174.900 0.082 0.000 0.994 380 G CA 0.809 45.974 45.100 0.107 0.000 0.698 380 G HN 0.470 nan 8.290 nan 0.000 0.521 381 K N -0.673 119.778 120.400 0.084 0.000 2.485 381 K HA 0.595 4.915 4.320 -0.000 0.000 0.200 381 K C 1.513 178.149 176.600 0.060 0.000 1.344 381 K CA 0.524 56.846 56.287 0.059 0.000 0.948 381 K CB 0.429 32.956 32.500 0.045 0.000 1.454 381 K HN 0.656 nan 8.250 nan 0.000 0.502 382 A N 2.076 124.942 122.820 0.078 0.000 2.492 382 A HA 0.295 4.615 4.320 -0.000 0.000 0.254 382 A C -0.385 177.227 177.584 0.047 0.000 1.091 382 A CA 0.033 52.110 52.037 0.066 0.000 0.768 382 A CB -0.270 18.782 19.000 0.086 0.000 1.028 382 A HN 0.254 nan 8.150 nan 0.000 0.498 383 L N 2.567 123.799 121.223 0.015 0.000 2.334 383 L HA 0.709 5.049 4.340 -0.000 0.000 0.277 383 L C 0.873 177.715 176.870 -0.047 0.000 1.075 383 L CA 0.062 54.892 54.840 -0.016 0.000 0.804 383 L CB 1.593 43.647 42.059 -0.008 0.000 1.174 383 L HN 0.869 nan 8.230 nan 0.000 0.438 384 G N 1.062 109.804 108.800 -0.097 0.000 2.608 384 G HA2 0.316 4.276 3.960 -0.000 0.000 0.291 384 G HA3 0.316 4.276 3.960 -0.000 0.000 0.291 384 G C -2.009 172.800 174.900 -0.152 0.000 1.425 384 G CA -0.493 44.529 45.100 -0.131 0.000 0.787 384 G HN 0.467 nan 8.290 nan 0.000 0.484 385 E N -0.092 120.018 120.200 -0.150 0.000 2.249 385 E HA 0.443 4.793 4.350 -0.000 0.000 0.280 385 E C -0.228 176.270 176.600 -0.171 0.000 1.016 385 E CA -0.508 55.813 56.400 -0.131 0.000 0.830 385 E CB 1.554 31.192 29.700 -0.104 0.000 1.081 385 E HN 0.184 nan 8.360 nan 0.000 0.395 386 V N 5.212 125.053 119.914 -0.122 0.000 2.479 386 V HA 0.012 4.132 4.120 -0.000 0.000 0.281 386 V C 0.033 176.114 176.094 -0.021 0.000 1.031 386 V CA 0.410 62.658 62.300 -0.087 0.000 1.038 386 V CB 0.595 32.426 31.823 0.013 0.000 0.981 386 V HN 0.671 nan 8.190 nan 0.000 0.478 387 Q N 5.458 125.251 119.800 -0.012 0.000 2.356 387 Q HA 0.757 5.097 4.340 -0.000 0.000 0.270 387 Q C -1.346 174.846 176.000 0.320 0.000 1.058 387 Q CA -0.709 55.152 55.803 0.096 0.000 0.802 387 Q CB 2.925 31.651 28.738 -0.020 0.000 1.303 387 Q HN 0.593 nan 8.270 nan 0.000 0.444 388 L N 1.308 122.785 121.223 0.424 0.000 2.388 388 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 388 L C -0.798 176.144 176.870 0.121 0.000 0.998 388 L CA -0.802 54.243 54.840 0.342 0.000 0.817 388 L CB 2.395 44.623 42.059 0.282 0.000 1.338 388 L HN 0.434 nan 8.230 nan 0.000 0.414 389 K N 0.792 121.124 120.400 -0.113 0.000 2.501 389 K HA 0.837 5.156 4.320 -0.000 0.000 0.252 389 K C -1.041 175.390 176.600 -0.282 0.000 0.934 389 K CA -0.443 55.631 56.287 -0.355 0.000 0.797 389 K CB 2.523 34.532 32.500 -0.819 0.000 1.270 389 K HN 0.822 nan 8.250 nan 0.000 0.431 390 G N 2.397 111.015 108.800 -0.303 0.000 2.325 390 G HA2 0.152 4.112 3.960 -0.000 0.000 0.297 390 G HA3 0.152 4.112 3.960 -0.000 0.000 0.297 390 G C -2.644 172.044 174.900 -0.353 0.000 1.448 390 G CA -0.895 43.973 45.100 -0.388 0.000 0.838 390 G HN 0.367 nan 8.290 nan 0.000 0.579 391 P HA 0.034 nan 4.420 nan 0.000 0.226 391 P C 0.786 178.092 177.300 0.011 0.000 1.153 391 P CA 1.386 64.401 63.100 -0.142 0.000 0.777 391 P CB -0.017 31.648 31.700 -0.057 0.000 0.794 392 W N -0.839 120.477 121.300 0.026 0.000 2.771 392 W HA 0.531 5.191 4.660 -0.000 0.000 0.412 392 W C -0.371 176.155 176.519 0.012 0.000 0.965 392 W CA -1.066 56.306 57.345 0.043 0.000 2.045 392 W CB -1.021 28.504 29.460 0.108 0.000 1.176 392 W HN -0.333 nan 8.180 nan 0.000 0.634 393 I N 1.771 122.304 120.570 -0.061 0.000 2.359 393 I HA 0.216 4.386 4.170 -0.000 0.000 0.294 393 I C 0.982 176.983 176.117 -0.194 0.000 0.987 393 I CA -0.708 60.521 61.300 -0.118 0.000 1.225 393 I CB 1.635 39.542 38.000 -0.155 0.000 1.366 393 I HN -0.147 nan 8.210 nan 0.000 0.466 394 T N 3.945 118.291 114.554 -0.345 0.000 2.930 394 T HA 0.154 4.504 4.350 -0.000 0.000 0.306 394 T C 1.088 175.583 174.700 -0.341 0.000 1.045 394 T CA 0.125 61.991 62.100 -0.389 0.000 1.134 394 T CB 0.672 69.205 68.868 -0.557 0.000 0.961 394 T HN 0.858 nan 8.240 nan 0.000 0.545 395 G N 1.850 110.512 108.800 -0.229 0.000 3.126 395 G HA2 0.563 4.523 3.960 -0.000 0.000 0.224 395 G HA3 0.563 4.523 3.960 -0.000 0.000 0.224 395 G C 0.552 175.374 174.900 -0.130 0.000 1.142 395 G CA 0.271 45.291 45.100 -0.133 0.000 0.759 395 G HN 1.121 nan 8.290 nan 0.000 0.550 396 G N -1.037 107.604 108.800 -0.265 0.000 2.336 396 G HA2 0.406 4.366 3.960 -0.000 0.000 0.286 396 G HA3 0.406 4.366 3.960 -0.000 0.000 0.286 396 G C -2.039 172.560 174.900 -0.502 0.000 1.269 396 G CA -0.908 44.023 45.100 -0.281 0.000 0.873 396 G HN 0.014 nan 8.290 nan 0.000 0.494 397 Y N -0.981 119.318 120.300 -0.001 0.000 2.536 397 Y HA 0.591 5.140 4.550 -0.000 0.000 0.347 397 Y C -0.384 175.530 175.900 0.024 0.000 1.000 397 Y CA -0.807 57.284 58.100 -0.014 0.000 1.051 397 Y CB 2.006 40.464 38.460 -0.004 0.000 1.259 397 Y HN 0.645 nan 8.280 nan 0.000 0.468 398 Y N 1.740 122.075 120.300 0.060 0.000 2.496 398 Y HA 0.385 4.935 4.550 -0.000 0.000 0.334 398 Y C 1.014 177.010 175.900 0.160 0.000 1.080 398 Y CA 0.444 58.567 58.100 0.039 0.000 1.355 398 Y CB 0.233 38.666 38.460 -0.044 0.000 1.193 398 Y HN 0.837 nan 8.280 nan 0.000 0.523 399 G N 4.640 113.168 108.800 -0.454 0.000 2.249 399 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.273 399 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.273 399 G C -0.285 174.578 174.900 -0.061 0.000 1.036 399 G CA 0.358 45.224 45.100 -0.389 0.000 0.824 399 G HN 0.810 nan 8.290 nan 0.000 0.504 400 N N -0.211 118.494 118.700 0.008 0.000 2.653 400 N HA 0.244 4.984 4.740 -0.000 0.000 0.261 400 N C 0.989 176.537 175.510 0.064 0.000 1.216 400 N CA -0.226 52.852 53.050 0.048 0.000 0.784 400 N CB 0.924 39.442 38.487 0.053 0.000 1.327 400 N HN 0.352 nan 8.380 nan 0.000 0.539 401 E N 0.918 121.140 120.200 0.036 0.000 2.077 401 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 401 E C 0.822 177.453 176.600 0.052 0.000 0.989 401 E CA 1.035 57.459 56.400 0.040 0.000 0.800 401 E CB 0.380 30.091 29.700 0.019 0.000 0.746 401 E HN 0.529 nan 8.360 nan 0.000 0.452 402 E N 0.522 120.744 120.200 0.037 0.000 2.058 402 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 402 E C 2.106 178.735 176.600 0.048 0.000 0.997 402 E CA 1.201 57.619 56.400 0.030 0.000 0.801 402 E CB -0.271 29.434 29.700 0.009 0.000 0.746 402 E HN 0.251 nan 8.360 nan 0.000 0.450 403 A N 0.680 123.531 122.820 0.051 0.000 1.969 403 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 403 A C 2.433 180.190 177.584 0.288 0.000 1.169 403 A CA 1.840 53.919 52.037 0.070 0.000 0.635 403 A CB -0.707 18.221 19.000 -0.121 0.000 0.810 403 A HN 0.211 nan 8.150 nan 0.000 0.445 404 T N 0.362 115.082 114.554 0.277 0.000 2.674 404 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 404 T C 2.065 176.857 174.700 0.154 0.000 1.039 404 T CA 1.781 64.024 62.100 0.238 0.000 1.150 404 T CB -0.290 68.660 68.868 0.136 0.000 0.864 404 T HN 0.809 nan 8.240 nan 0.000 0.427 405 R N 1.521 122.083 120.500 0.104 0.000 2.148 405 R HA 0.031 4.371 4.340 -0.000 0.000 0.227 405 R C 2.425 178.766 176.300 0.069 0.000 1.103 405 R CA 1.664 57.807 56.100 0.072 0.000 0.983 405 R CB -0.567 29.762 30.300 0.047 0.000 0.874 405 R HN 0.423 nan 8.270 nan 0.000 0.451 406 S N 0.018 115.765 115.700 0.079 0.000 2.562 406 S HA 0.185 4.655 4.470 -0.000 0.000 0.221 406 S C 1.760 176.399 174.600 0.066 0.000 0.975 406 S CA 0.159 58.392 58.200 0.055 0.000 0.918 406 S CB 0.474 63.696 63.200 0.035 0.000 0.772 406 S HN 0.466 nan 8.310 nan 0.000 0.531 407 A N 0.483 123.383 122.820 0.133 0.000 2.308 407 A HA 0.606 4.926 4.320 -0.000 0.000 0.217 407 A C 0.426 178.048 177.584 0.064 0.000 1.216 407 A CA -0.234 51.882 52.037 0.131 0.000 0.864 407 A CB -0.066 19.178 19.000 0.406 0.000 0.902 407 A HN 0.531 nan 8.150 nan 0.000 0.499 408 L N 0.326 121.595 121.223 0.078 0.000 2.354 408 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 408 L C 0.465 177.372 176.870 0.062 0.000 1.005 408 L CA -0.804 54.087 54.840 0.085 0.000 0.819 408 L CB 2.198 44.314 42.059 0.095 0.000 1.311 408 L HN 0.224 nan 8.230 nan 0.000 0.423 409 T N -2.030 112.577 114.554 0.088 0.000 2.849 409 T HA 0.287 4.637 4.350 -0.000 0.000 0.284 409 T C -1.893 172.856 174.700 0.083 0.000 1.004 409 T CA -1.548 60.597 62.100 0.074 0.000 1.021 409 T CB 1.047 69.967 68.868 0.086 0.000 1.013 409 T HN 0.351 nan 8.240 nan 0.000 0.527 410 P HA -0.126 nan 4.420 nan 0.000 0.216 410 P C 1.011 178.359 177.300 0.080 0.000 1.154 410 P CA 1.262 64.395 63.100 0.056 0.000 0.865 410 P CB -0.088 31.635 31.700 0.038 0.000 0.789 411 D N -2.216 118.257 120.400 0.121 0.000 2.319 411 D HA 0.108 4.748 4.640 -0.000 0.000 0.230 411 D C 1.243 177.671 176.300 0.213 0.000 1.094 411 D CA 0.510 54.612 54.000 0.169 0.000 0.856 411 D CB -0.830 40.089 40.800 0.197 0.000 0.915 411 D HN 0.262 nan 8.370 nan 0.000 0.517 412 G N -0.441 108.463 108.800 0.175 0.000 2.141 412 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.231 412 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.231 412 G C -0.221 174.712 174.900 0.054 0.000 0.984 412 G CA -0.363 44.786 45.100 0.082 0.000 0.660 412 G HN 0.258 nan 8.290 nan 0.000 0.525 413 F N 0.210 120.180 119.950 0.034 0.000 2.399 413 F HA 0.628 5.155 4.527 -0.000 0.000 0.342 413 F C 0.736 176.586 175.800 0.083 0.000 1.106 413 F CA -1.195 56.836 58.000 0.052 0.000 1.196 413 F CB 0.669 39.683 39.000 0.024 0.000 1.163 413 F HN 0.102 nan 8.300 nan 0.000 0.547 414 F N 4.320 124.340 119.950 0.117 0.000 2.467 414 F HA 0.359 4.886 4.527 -0.000 0.000 0.362 414 F C 0.253 176.119 175.800 0.110 0.000 1.090 414 F CA -0.739 57.303 58.000 0.071 0.000 1.202 414 F CB 0.318 39.325 39.000 0.011 0.000 1.113 414 F HN 0.361 nan 8.300 nan 0.000 0.541 415 R N 4.499 124.548 120.500 -0.751 0.000 2.216 415 R HA 0.155 4.495 4.340 -0.000 0.000 0.332 415 R C 1.241 176.941 176.300 -0.999 0.000 1.056 415 R CA 0.454 56.184 56.100 -0.617 0.000 0.901 415 R CB 0.756 30.863 30.300 -0.321 0.000 1.039 415 R HN 0.872 nan 8.270 nan 0.000 0.456 416 T N -0.711 113.537 114.554 -0.510 0.000 2.942 416 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 416 T C 1.492 176.157 174.700 -0.058 0.000 1.062 416 T CA 0.719 62.708 62.100 -0.184 0.000 1.139 416 T CB 0.140 69.105 68.868 0.160 0.000 0.883 416 T HN 0.773 nan 8.240 nan 0.000 0.468 417 G N 1.337 110.091 108.800 -0.076 0.000 2.157 417 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.248 417 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.248 417 G C -0.500 174.422 174.900 0.038 0.000 0.979 417 G CA 0.035 45.122 45.100 -0.022 0.000 0.650 417 G HN 0.601 nan 8.290 nan 0.000 0.529 418 D N 0.708 121.145 120.400 0.063 0.000 2.193 418 D HA 0.512 5.152 4.640 -0.000 0.000 0.244 418 D C 0.644 176.951 176.300 0.012 0.000 1.064 418 D CA -0.304 53.748 54.000 0.086 0.000 0.845 418 D CB 1.299 42.201 40.800 0.170 0.000 1.148 418 D HN 0.093 nan 8.370 nan 0.000 0.464 419 I N 1.641 122.216 120.570 0.008 0.000 2.353 419 I HA 0.543 4.713 4.170 -0.000 0.000 0.293 419 I C 0.455 176.546 176.117 -0.044 0.000 0.992 419 I CA -0.538 60.747 61.300 -0.026 0.000 1.268 419 I CB 0.767 38.764 38.000 -0.006 0.000 1.387 419 I HN 0.313 nan 8.210 nan 0.000 0.478 420 A N 6.223 128.992 122.820 -0.085 0.000 2.569 420 A HA 0.844 5.164 4.320 -0.000 0.000 0.290 420 A C -0.798 176.735 177.584 -0.086 0.000 1.136 420 A CA -0.542 51.439 52.037 -0.093 0.000 0.710 420 A CB 2.021 20.932 19.000 -0.148 0.000 1.303 420 A HN 0.517 nan 8.150 nan 0.000 0.413 421 V N -2.279 117.621 119.914 -0.022 0.000 2.919 421 V HA 0.994 5.114 4.120 -0.000 0.000 0.316 421 V C -0.990 175.211 176.094 0.180 0.000 1.077 421 V CA -0.758 61.578 62.300 0.060 0.000 0.977 421 V CB 1.657 33.534 31.823 0.091 0.000 1.039 421 V HN 1.585 nan 8.190 nan 0.000 0.441 422 W N 2.299 123.607 121.300 0.012 0.000 3.127 422 W HA 0.859 5.519 4.660 -0.000 0.000 0.330 422 W C -1.268 175.272 176.519 0.034 0.000 1.187 422 W CA -1.693 55.668 57.345 0.027 0.000 1.198 422 W CB 0.162 29.634 29.460 0.020 0.000 1.408 422 W HN 0.864 nan 8.180 nan 0.000 0.529 423 D N -0.251 120.246 120.400 0.162 0.000 2.569 423 D HA 0.279 4.919 4.640 -0.000 0.000 0.266 423 D C 0.815 177.058 176.300 -0.094 0.000 1.164 423 D CA -0.507 53.510 54.000 0.027 0.000 1.071 423 D CB 1.108 41.950 40.800 0.070 0.000 1.183 423 D HN 0.370 nan 8.370 nan 0.000 0.613 424 E N -0.500 119.657 120.200 -0.072 0.000 2.268 424 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 424 E C 1.163 177.734 176.600 -0.049 0.000 0.995 424 E CA 0.745 57.086 56.400 -0.098 0.000 0.836 424 E CB 0.042 29.707 29.700 -0.057 0.000 0.763 424 E HN 0.503 nan 8.360 nan 0.000 0.491 425 E N -0.276 119.950 120.200 0.044 0.000 2.358 425 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 425 E C 1.323 177.939 176.600 0.027 0.000 1.010 425 E CA 0.748 57.218 56.400 0.116 0.000 0.856 425 E CB 0.458 30.335 29.700 0.294 0.000 0.795 425 E HN 0.417 nan 8.360 nan 0.000 0.504 426 G N 0.709 109.504 108.800 -0.009 0.000 2.179 426 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 426 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 426 G C -0.132 174.757 174.900 -0.018 0.000 0.990 426 G CA -0.178 44.885 45.100 -0.062 0.000 0.646 426 G HN 0.209 nan 8.290 nan 0.000 0.517 427 Y N 0.523 120.842 120.300 0.031 0.000 2.442 427 Y HA 0.433 4.983 4.550 -0.000 0.000 0.330 427 Y C 1.053 177.019 175.900 0.110 0.000 1.129 427 Y CA -0.203 57.922 58.100 0.041 0.000 1.365 427 Y CB 1.231 39.686 38.460 -0.007 0.000 1.233 427 Y HN 0.077 nan 8.280 nan 0.000 0.529 428 V N 4.093 124.140 119.914 0.222 0.000 2.539 428 V HA 0.316 4.436 4.120 -0.000 0.000 0.292 428 V C -0.443 175.704 176.094 0.089 0.000 1.045 428 V CA -1.061 61.330 62.300 0.150 0.000 0.945 428 V CB 1.549 33.404 31.823 0.053 0.000 0.993 428 V HN 0.686 nan 8.190 nan 0.000 0.464 429 E N 4.116 124.344 120.200 0.047 0.000 2.220 429 E HA 0.418 4.768 4.350 -0.000 0.000 0.256 429 E C -1.188 175.390 176.600 -0.037 0.000 0.881 429 E CA -0.738 55.669 56.400 0.013 0.000 0.766 429 E CB 1.936 31.659 29.700 0.039 0.000 1.187 429 E HN 0.411 nan 8.360 nan 0.000 0.419 430 I N 3.630 124.153 120.570 -0.080 0.000 2.517 430 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 430 I C 1.142 177.256 176.117 -0.005 0.000 1.106 430 I CA 0.351 61.605 61.300 -0.077 0.000 1.402 430 I CB 0.255 38.192 38.000 -0.105 0.000 1.399 430 I HN 0.532 nan 8.210 nan 0.000 0.535 431 K N 3.007 123.410 120.400 0.005 0.000 2.367 431 K HA 0.209 4.529 4.320 -0.000 0.000 0.198 431 K C 0.188 176.815 176.600 0.045 0.000 1.132 431 K CA 0.288 56.591 56.287 0.027 0.000 0.941 431 K CB 0.856 33.368 32.500 0.020 0.000 1.052 431 K HN 0.579 nan 8.250 nan 0.000 0.507 432 D N -0.435 119.992 120.400 0.046 0.000 2.759 432 D HA 0.350 4.990 4.640 -0.000 0.000 0.321 432 D C -1.350 174.997 176.300 0.079 0.000 1.267 432 D CA -0.503 53.535 54.000 0.063 0.000 0.933 432 D CB 1.895 42.724 40.800 0.047 0.000 1.431 432 D HN -0.238 nan 8.370 nan 0.000 0.504 433 R N 0.814 121.367 120.500 0.088 0.000 2.574 433 R HA 0.430 4.770 4.340 -0.000 0.000 0.288 433 R C 0.818 177.158 176.300 0.066 0.000 1.004 433 R CA -0.424 55.735 56.100 0.099 0.000 0.895 433 R CB 1.586 31.979 30.300 0.154 0.000 1.191 433 R HN 0.268 nan 8.270 nan 0.000 0.444 434 L N 2.248 123.496 121.223 0.042 0.000 2.044 434 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 434 L C 0.247 177.130 176.870 0.022 0.000 1.075 434 L CA 1.222 56.075 54.840 0.021 0.000 0.747 434 L CB -0.155 41.902 42.059 -0.003 0.000 0.903 434 L HN 0.500 nan 8.230 nan 0.000 0.435 435 K N 0.906 121.316 120.400 0.017 0.000 2.489 435 K HA -0.025 4.295 4.320 -0.000 0.000 0.278 435 K C -0.440 176.182 176.600 0.037 0.000 1.000 435 K CA 0.079 56.365 56.287 -0.000 0.000 1.012 435 K CB 0.212 32.683 32.500 -0.048 0.000 0.903 435 K HN -0.081 nan 8.250 nan 0.000 0.485 436 D N 3.624 124.043 120.400 0.032 0.000 2.518 436 D HA 0.270 4.910 4.640 -0.000 0.000 0.230 436 D C -1.332 175.016 176.300 0.080 0.000 1.138 436 D CA -0.259 53.779 54.000 0.064 0.000 0.964 436 D CB 0.024 40.860 40.800 0.060 0.000 1.011 436 D HN 0.323 nan 8.370 nan 0.000 0.517 437 L N 1.984 123.289 121.223 0.137 0.000 2.341 437 L HA 0.606 4.946 4.340 -0.000 0.000 0.254 437 L C -0.701 176.346 176.870 0.295 0.000 1.040 437 L CA -0.904 54.064 54.840 0.213 0.000 0.837 437 L CB 1.922 44.117 42.059 0.227 0.000 1.425 437 L HN 0.156 nan 8.230 nan 0.000 0.414 438 I N 0.974 121.728 120.570 0.306 0.000 2.378 438 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 438 I C -0.459 175.808 176.117 0.249 0.000 0.992 438 I CA -0.437 61.003 61.300 0.233 0.000 1.154 438 I CB 1.645 39.713 38.000 0.113 0.000 1.315 438 I HN 0.375 nan 8.210 nan 0.000 0.448 439 K N 4.538 124.986 120.400 0.080 0.000 2.334 439 K HA 0.420 4.740 4.320 -0.000 0.000 0.265 439 K C -0.679 175.890 176.600 -0.051 0.000 1.039 439 K CA -0.189 55.970 56.287 -0.214 0.000 0.920 439 K CB 1.028 33.166 32.500 -0.604 0.000 1.160 439 K HN 0.568 nan 8.250 nan 0.000 0.451 440 S N 3.091 118.800 115.700 0.015 0.000 2.498 440 S HA 0.422 4.891 4.470 -0.000 0.000 0.324 440 S C 0.490 175.132 174.600 0.071 0.000 1.071 440 S CA 0.257 58.497 58.200 0.066 0.000 1.113 440 S CB 0.847 64.061 63.200 0.023 0.000 0.976 440 S HN 0.911 nan 8.310 nan 0.000 0.462 441 G N 3.197 112.127 108.800 0.218 0.000 2.283 441 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.280 441 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.280 441 G C 1.156 176.114 174.900 0.095 0.000 1.029 441 G CA 0.586 45.854 45.100 0.280 0.000 0.840 441 G HN 2.166 nan 8.290 nan 0.000 0.505 442 G N -2.067 106.743 108.800 0.016 0.000 2.176 442 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.253 442 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.253 442 G C -0.033 174.796 174.900 -0.119 0.000 0.979 442 G CA 0.821 45.907 45.100 -0.022 0.000 0.641 442 G HN 0.992 nan 8.290 nan 0.000 0.530 443 E N -0.923 119.195 120.200 -0.136 0.000 2.256 443 E HA 0.531 4.881 4.350 -0.000 0.000 0.267 443 E C -0.648 175.984 176.600 0.053 0.000 0.892 443 E CA -0.887 55.475 56.400 -0.064 0.000 0.775 443 E CB 1.093 30.704 29.700 -0.147 0.000 1.207 443 E HN 0.296 nan 8.360 nan 0.000 0.420 444 W N 2.003 123.495 121.300 0.320 0.000 2.315 444 W HA 0.436 5.096 4.660 -0.000 0.000 0.316 444 W C 0.276 176.953 176.519 0.263 0.000 1.211 444 W CA -0.368 57.133 57.345 0.260 0.000 1.201 444 W CB 0.655 30.229 29.460 0.191 0.000 1.184 444 W HN 0.223 nan 8.180 nan 0.000 0.544 445 I N 2.906 123.718 120.570 0.405 0.000 2.418 445 I HA 0.135 4.304 4.170 -0.000 0.000 0.287 445 I C 0.035 176.249 176.117 0.162 0.000 1.008 445 I CA -0.824 60.567 61.300 0.151 0.000 1.104 445 I CB 1.786 39.761 38.000 -0.042 0.000 1.264 445 I HN 0.209 nan 8.210 nan 0.000 0.438 446 S N 3.285 119.063 115.700 0.130 0.000 2.448 446 S HA 0.151 4.621 4.470 -0.000 0.000 0.279 446 S C 1.208 175.834 174.600 0.043 0.000 1.195 446 S CA -0.411 57.850 58.200 0.102 0.000 1.051 446 S CB 0.685 63.951 63.200 0.110 0.000 0.948 446 S HN 0.684 nan 8.310 nan 0.000 0.493 447 S N 4.173 119.897 115.700 0.039 0.000 2.368 447 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 447 S C 1.964 176.578 174.600 0.022 0.000 1.030 447 S CA 1.218 59.421 58.200 0.005 0.000 0.999 447 S CB -0.298 62.919 63.200 0.028 0.000 0.844 447 S HN 0.659 nan 8.310 nan 0.000 0.459 448 V N 2.783 122.733 119.914 0.060 0.000 2.261 448 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 448 V C 2.030 178.181 176.094 0.096 0.000 1.047 448 V CA 1.954 64.305 62.300 0.084 0.000 1.015 448 V CB -0.829 31.036 31.823 0.070 0.000 0.642 448 V HN 0.363 nan 8.190 nan 0.000 0.446 449 D N -0.081 120.392 120.400 0.121 0.000 2.221 449 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 449 D C 2.038 178.500 176.300 0.269 0.000 0.982 449 D CA 1.113 55.253 54.000 0.234 0.000 0.857 449 D CB -0.177 40.823 40.800 0.334 0.000 0.934 449 D HN 0.358 nan 8.370 nan 0.000 0.475 450 L N 0.194 121.427 121.223 0.017 0.000 2.162 450 L HA -0.042 4.298 4.340 -0.000 0.000 0.205 450 L C 2.294 179.136 176.870 -0.046 0.000 1.086 450 L CA 0.785 55.510 54.840 -0.191 0.000 0.778 450 L CB -0.095 41.765 42.059 -0.331 0.000 0.928 450 L HN -0.048 nan 8.230 nan 0.000 0.446 451 E N 0.160 120.361 120.200 0.001 0.000 2.006 451 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 451 E C 1.857 178.507 176.600 0.083 0.000 0.993 451 E CA 1.207 57.623 56.400 0.025 0.000 0.808 451 E CB 0.019 29.762 29.700 0.072 0.000 0.764 451 E HN 0.357 nan 8.360 nan 0.000 0.449 452 N N 0.517 119.287 118.700 0.117 0.000 2.205 452 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 452 N C 1.442 177.037 175.510 0.141 0.000 1.015 452 N CA 1.189 54.313 53.050 0.123 0.000 0.862 452 N CB -0.303 38.248 38.487 0.107 0.000 0.986 452 N HN 0.162 nan 8.380 nan 0.000 0.429 453 A N 0.838 123.766 122.820 0.180 0.000 1.854 453 A HA 0.002 4.322 4.320 -0.000 0.000 0.214 453 A C 2.366 180.117 177.584 0.278 0.000 1.192 453 A CA 0.730 52.928 52.037 0.268 0.000 0.611 453 A CB -0.790 18.426 19.000 0.360 0.000 0.832 453 A HN 0.199 nan 8.150 nan 0.000 0.442 454 L N -0.865 120.444 121.223 0.144 0.000 2.012 454 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 454 L C 2.786 179.627 176.870 -0.047 0.000 1.073 454 L CA 1.690 56.535 54.840 0.008 0.000 0.748 454 L CB -0.351 41.706 42.059 -0.003 0.000 0.891 454 L HN 0.430 nan 8.230 nan 0.000 0.431 455 M N -0.987 118.628 119.600 0.026 0.000 2.539 455 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 455 M C 1.998 178.328 176.300 0.050 0.000 1.069 455 M CA 1.202 56.526 55.300 0.040 0.000 1.081 455 M CB -0.635 32.013 32.600 0.080 0.000 1.412 455 M HN 0.350 nan 8.290 nan 0.000 0.482 456 G N -0.861 107.980 108.800 0.069 0.000 2.509 456 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 456 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 456 G C 0.692 175.622 174.900 0.050 0.000 1.124 456 G CA 0.256 45.417 45.100 0.102 0.000 0.776 456 G HN 0.394 nan 8.290 nan 0.000 0.547 464 A N 0.958 123.472 122.820 -0.510 0.000 2.414 464 A HA 0.676 4.996 4.320 -0.000 0.000 0.286 464 A C -1.129 176.256 177.584 -0.331 0.000 1.073 464 A CA -0.401 51.281 52.037 -0.593 0.000 0.727 464 A CB 1.238 19.840 19.000 -0.662 0.000 1.215 464 A HN 1.671 nan 8.150 nan 0.000 0.430 465 V N 3.776 123.550 119.914 -0.234 0.000 2.370 465 V HA 0.576 4.696 4.120 -0.000 0.000 0.283 465 V C 0.149 176.177 176.094 -0.110 0.000 1.023 465 V CA -0.325 61.868 62.300 -0.179 0.000 0.857 465 V CB 1.176 32.906 31.823 -0.154 0.000 0.985 465 V HN 1.002 nan 8.190 nan 0.000 0.443 466 V N 2.373 122.221 119.914 -0.111 0.000 2.960 466 V HA 0.973 5.093 4.120 -0.000 0.000 0.315 466 V C 0.187 176.282 176.094 0.001 0.000 1.087 466 V CA -1.181 61.096 62.300 -0.039 0.000 0.982 466 V CB 1.857 33.661 31.823 -0.033 0.000 1.039 466 V HN 0.905 nan 8.190 nan 0.000 0.437 467 A N 4.012 126.864 122.820 0.054 0.000 2.354 467 A HA 0.731 5.051 4.320 -0.000 0.000 0.281 467 A C -0.321 177.336 177.584 0.122 0.000 1.174 467 A CA -0.317 51.780 52.037 0.099 0.000 0.828 467 A CB -0.247 18.826 19.000 0.122 0.000 1.099 467 A HN 0.695 nan 8.150 nan 0.000 0.516 468 I N 3.827 124.509 120.570 0.187 0.000 2.433 468 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 468 I C -2.419 173.879 176.117 0.302 0.000 1.001 468 I CA -2.646 58.789 61.300 0.225 0.000 1.119 468 I CB 1.415 39.540 38.000 0.208 0.000 1.289 468 I HN 0.342 nan 8.210 nan 0.000 0.438 469 P HA -0.010 nan 4.420 nan 0.000 0.263 469 P C -0.578 176.913 177.300 0.318 0.000 1.175 469 P CA 0.756 63.997 63.100 0.236 0.000 0.761 469 P CB 0.289 32.087 31.700 0.162 0.000 0.794 470 H N 4.190 123.379 119.070 0.199 0.000 2.717 470 H HA 0.260 4.816 4.556 -0.000 0.000 0.366 470 H C -2.091 173.309 175.328 0.121 0.000 1.132 470 H CA -2.206 53.957 56.048 0.192 0.000 1.180 470 H CB 2.157 32.051 29.762 0.220 0.000 1.678 470 H HN 0.144 nan 8.280 nan 0.000 0.537 471 P HA -0.113 nan 4.420 nan 0.000 0.214 471 P C 1.244 178.587 177.300 0.072 0.000 1.163 471 P CA 1.535 64.622 63.100 -0.022 0.000 0.883 471 P CB 0.634 32.252 31.700 -0.138 0.000 0.788 472 K N -1.354 119.136 120.400 0.150 0.000 1.992 472 K HA -0.054 4.266 4.320 -0.000 0.000 0.210 472 K C 0.690 177.147 176.600 -0.238 0.000 1.036 472 K CA 0.794 56.973 56.287 -0.180 0.000 0.946 472 K CB -0.496 31.698 32.500 -0.510 0.000 0.742 472 K HN -0.031 nan 8.250 nan 0.000 0.442 473 W N 0.742 122.121 121.300 0.130 0.000 1.902 473 W HA 0.086 4.746 4.660 -0.000 0.000 0.360 473 W C 1.351 177.931 176.519 0.101 0.000 1.414 473 W CA -0.651 56.694 57.345 0.001 0.000 1.457 473 W CB 0.145 29.489 29.460 -0.192 0.000 1.279 473 W HN 0.140 nan 8.180 nan 0.000 0.665 474 Q N -0.216 119.765 119.800 0.302 0.000 2.317 474 Q HA 0.183 4.523 4.340 -0.000 0.000 0.220 474 Q C -0.667 175.465 176.000 0.220 0.000 0.873 474 Q CA 0.671 56.606 55.803 0.220 0.000 0.936 474 Q CB 0.701 29.531 28.738 0.154 0.000 1.105 474 Q HN 0.428 nan 8.270 nan 0.000 0.520 475 E N -0.538 119.796 120.200 0.223 0.000 2.380 475 E HA 0.448 4.798 4.350 -0.000 0.000 0.281 475 E C -1.213 175.473 176.600 0.144 0.000 0.999 475 E CA -0.763 55.756 56.400 0.199 0.000 0.800 475 E CB 1.570 31.359 29.700 0.148 0.000 1.228 475 E HN -0.193 nan 8.360 nan 0.000 0.436 476 R N 1.321 121.912 120.500 0.152 0.000 2.725 476 R HA 0.493 4.833 4.340 -0.000 0.000 0.277 476 R C -2.813 173.547 176.300 0.099 0.000 0.987 476 R CA -2.552 53.550 56.100 0.003 0.000 0.901 476 R CB 1.419 31.572 30.300 -0.246 0.000 1.207 476 R HN 0.296 nan 8.270 nan 0.000 0.463 477 P HA 0.227 nan 4.420 nan 0.000 0.276 477 P C -0.754 176.543 177.300 -0.005 0.000 1.230 477 P CA -0.461 62.614 63.100 -0.042 0.000 0.776 477 P CB 0.641 32.244 31.700 -0.161 0.000 0.888 478 L N 2.946 124.114 121.223 -0.092 0.000 2.372 478 L HA 0.693 5.033 4.340 -0.000 0.000 0.274 478 L C -0.653 175.983 176.870 -0.390 0.000 0.988 478 L CA -0.634 54.037 54.840 -0.281 0.000 0.833 478 L CB 1.153 42.960 42.059 -0.421 0.000 1.236 478 L HN 0.352 nan 8.230 nan 0.000 0.410 479 A N 5.137 127.658 122.820 -0.498 0.000 2.276 479 A HA 0.691 5.011 4.320 -0.000 0.000 0.300 479 A C -0.390 176.947 177.584 -0.411 0.000 1.235 479 A CA -0.389 51.407 52.037 -0.400 0.000 0.867 479 A CB 0.632 19.439 19.000 -0.322 0.000 1.137 479 A HN 0.546 nan 8.150 nan 0.000 0.527 495 E N 0.780 121.027 120.200 0.078 0.000 2.118 495 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 495 E C 1.598 178.263 176.600 0.108 0.000 0.992 495 E CA 1.108 57.557 56.400 0.081 0.000 0.804 495 E CB -0.073 29.668 29.700 0.068 0.000 0.741 495 E HN 0.354 nan 8.360 nan 0.000 0.458 496 H N 0.677 119.785 119.070 0.063 0.000 2.387 496 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 496 H C 2.062 177.453 175.328 0.105 0.000 1.090 496 H CA 1.181 57.281 56.048 0.086 0.000 1.332 496 H CB 0.037 29.874 29.762 0.126 0.000 1.386 496 H HN 0.163 nan 8.280 nan 0.000 0.516 497 L N 0.165 121.531 121.223 0.238 0.000 2.109 497 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 497 L C 2.831 179.867 176.870 0.276 0.000 1.086 497 L CA 0.476 55.465 54.840 0.250 0.000 0.760 497 L CB -0.251 41.864 42.059 0.093 0.000 0.910 497 L HN 0.194 nan 8.230 nan 0.000 0.437 498 L N -0.414 120.897 121.223 0.147 0.000 2.083 498 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 498 L C 2.494 179.390 176.870 0.044 0.000 1.083 498 L CA 1.336 56.239 54.840 0.106 0.000 0.752 498 L CB -0.383 41.714 42.059 0.063 0.000 0.899 498 L HN 0.169 nan 8.230 nan 0.000 0.433 499 K N -0.018 120.381 120.400 -0.001 0.000 2.155 499 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 499 K C 2.003 178.545 176.600 -0.097 0.000 1.052 499 K CA 1.061 57.311 56.287 -0.062 0.000 0.948 499 K CB -0.160 32.280 32.500 -0.101 0.000 0.728 499 K HN 0.246 nan 8.250 nan 0.000 0.448 500 A N 0.589 123.354 122.820 -0.091 0.000 2.239 500 A HA 0.140 4.460 4.320 -0.000 0.000 0.209 500 A C 0.991 178.422 177.584 -0.255 0.000 1.171 500 A CA 0.890 52.854 52.037 -0.121 0.000 0.768 500 A CB -0.336 18.657 19.000 -0.012 0.000 0.790 500 A HN 0.384 nan 8.150 nan 0.000 0.478 501 G N -1.743 106.914 108.800 -0.238 0.000 2.427 501 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.193 501 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.193 501 G C -0.389 174.197 174.900 -0.525 0.000 1.086 501 G CA -0.375 44.526 45.100 -0.332 0.000 0.818 501 G HN 0.287 nan 8.290 nan 0.000 0.490 502 F N 0.174 120.078 119.950 -0.077 0.000 2.546 502 F HA 0.788 5.315 4.527 -0.000 0.000 0.320 502 F C 0.654 176.381 175.800 -0.122 0.000 1.076 502 F CA -0.349 57.576 58.000 -0.125 0.000 0.928 502 F CB 2.085 40.998 39.000 -0.145 0.000 1.189 502 F HN 0.381 nan 8.300 nan 0.000 0.465 503 A N 2.362 125.198 122.820 0.026 0.000 2.252 503 A HA 0.405 4.725 4.320 -0.000 0.000 0.305 503 A C 1.041 178.577 177.584 -0.081 0.000 1.097 503 A CA -0.590 51.448 52.037 0.002 0.000 0.849 503 A CB 0.709 19.789 19.000 0.133 0.000 1.142 503 A HN 0.928 nan 8.150 nan 0.000 0.499 504 K N 0.432 120.852 120.400 0.034 0.000 2.063 504 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 504 K C 1.718 178.305 176.600 -0.021 0.000 1.048 504 K CA 2.032 58.333 56.287 0.023 0.000 0.928 504 K CB -0.220 32.326 32.500 0.076 0.000 0.713 504 K HN 0.962 nan 8.250 nan 0.000 0.442 505 W N 1.704 122.950 121.300 -0.090 0.000 2.465 505 W HA -0.089 4.571 4.660 -0.000 0.000 0.268 505 W C 1.030 177.432 176.519 -0.195 0.000 1.242 505 W CA 0.524 57.754 57.345 -0.191 0.000 1.248 505 W CB -0.570 28.760 29.460 -0.217 0.000 1.118 505 W HN 0.123 nan 8.180 nan 0.000 0.587 506 Q N 1.035 120.314 119.800 -0.868 0.000 2.331 506 Q HA 0.100 4.440 4.340 -0.000 0.000 0.203 506 Q C 0.967 176.672 176.000 -0.492 0.000 0.944 506 Q CA 0.215 55.505 55.803 -0.854 0.000 0.892 506 Q CB -0.045 28.157 28.738 -0.893 0.000 0.983 506 Q HN 0.232 nan 8.270 nan 0.000 0.482 507 L N 3.010 124.028 121.223 -0.342 0.000 2.499 507 L HA 0.079 4.419 4.340 -0.000 0.000 0.273 507 L C -2.103 174.622 176.870 -0.242 0.000 1.195 507 L CA -1.684 53.012 54.840 -0.240 0.000 0.882 507 L CB -0.112 41.881 42.059 -0.111 0.000 1.133 507 L HN -0.116 nan 8.230 nan 0.000 0.483 508 P HA 0.025 nan 4.420 nan 0.000 0.265 508 P C -0.434 176.681 177.300 -0.309 0.000 1.193 508 P CA -0.084 62.809 63.100 -0.346 0.000 0.765 508 P CB 0.601 31.969 31.700 -0.553 0.000 0.823 509 D N 1.185 121.453 120.400 -0.219 0.000 2.269 509 D HA 0.120 4.760 4.640 -0.000 0.000 0.208 509 D C 0.614 176.931 176.300 0.028 0.000 0.963 509 D CA 1.169 55.100 54.000 -0.114 0.000 0.864 509 D CB 0.086 40.702 40.800 -0.306 0.000 0.936 509 D HN 0.414 nan 8.370 nan 0.000 0.505 510 A N -0.656 122.120 122.820 -0.073 0.000 2.572 510 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 510 A C -1.808 175.431 177.584 -0.575 0.000 1.072 510 A CA -0.738 51.227 52.037 -0.121 0.000 0.691 510 A CB 1.009 20.086 19.000 0.129 0.000 1.291 510 A HN 0.009 nan 8.150 nan 0.000 0.404 511 Y N -0.009 120.124 120.300 -0.278 0.000 2.376 511 Y HA 0.600 5.150 4.550 -0.000 0.000 0.340 511 Y C -0.193 175.291 175.900 -0.694 0.000 0.965 511 Y CA -0.818 56.981 58.100 -0.501 0.000 1.078 511 Y CB 2.477 40.645 38.460 -0.487 0.000 1.193 511 Y HN 0.417 nan 8.280 nan 0.000 0.452 512 V N 4.832 124.343 119.914 -0.671 0.000 2.525 512 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 512 V C -0.670 175.101 176.094 -0.538 0.000 1.034 512 V CA -1.060 60.885 62.300 -0.593 0.000 0.863 512 V CB 0.857 32.335 31.823 -0.575 0.000 0.999 512 V HN 0.534 nan 8.190 nan 0.000 0.423 524 K N 0.054 120.281 120.400 -0.289 0.000 2.240 524 K HA 0.672 4.992 4.320 -0.000 0.000 0.237 524 K C -0.724 175.618 176.600 -0.430 0.000 1.027 524 K CA -0.649 55.380 56.287 -0.430 0.000 0.937 524 K CB 0.990 33.369 32.500 -0.202 0.000 1.171 524 K HN 0.090 nan 8.250 nan 0.000 0.479 525 F N 0.806 120.759 119.950 0.005 0.000 2.420 525 F HA 0.239 4.766 4.527 -0.000 0.000 0.342 525 F C 0.585 176.391 175.800 0.009 0.000 1.113 525 F CA -1.178 56.826 58.000 0.007 0.000 1.059 525 F CB 0.816 39.818 39.000 0.003 0.000 1.128 525 F HN 0.102 nan 8.300 nan 0.000 0.475 526 L N 5.388 126.728 121.223 0.196 0.000 2.462 526 L HA 0.137 4.477 4.340 -0.000 0.000 0.283 526 L C 0.972 177.910 176.870 0.113 0.000 1.166 526 L CA 0.570 55.480 54.840 0.117 0.000 0.964 526 L CB -0.326 41.785 42.059 0.086 0.000 1.294 526 L HN 0.580 nan 8.230 nan 0.000 0.449 527 K N 2.141 122.606 120.400 0.107 0.000 2.186 527 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 527 K C 1.797 178.438 176.600 0.068 0.000 1.052 527 K CA 0.975 57.315 56.287 0.088 0.000 0.965 527 K CB 0.192 32.748 32.500 0.093 0.000 0.746 527 K HN 0.550 nan 8.250 nan 0.000 0.457 528 R N 1.270 121.807 120.500 0.062 0.000 2.139 528 R HA -0.099 4.241 4.340 -0.000 0.000 0.243 528 R C 1.990 178.320 176.300 0.049 0.000 1.145 528 R CA 1.596 57.727 56.100 0.052 0.000 0.976 528 R CB -0.863 29.463 30.300 0.043 0.000 0.866 528 R HN 0.071 nan 8.270 nan 0.000 0.449 529 A N 1.402 124.252 122.820 0.050 0.000 1.872 529 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 529 A C 2.279 179.898 177.584 0.057 0.000 1.187 529 A CA 1.138 53.200 52.037 0.043 0.000 0.614 529 A CB -0.474 18.551 19.000 0.042 0.000 0.826 529 A HN 0.284 nan 8.150 nan 0.000 0.442 530 L N -1.173 120.102 121.223 0.087 0.000 2.131 530 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 530 L C 2.813 179.787 176.870 0.173 0.000 1.092 530 L CA 1.218 56.152 54.840 0.158 0.000 0.759 530 L CB -0.403 41.709 42.059 0.089 0.000 0.903 530 L HN 0.345 nan 8.230 nan 0.000 0.435 531 R N -0.315 120.243 120.500 0.097 0.000 2.075 531 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 531 R C 2.277 178.624 176.300 0.078 0.000 1.126 531 R CA 1.203 57.355 56.100 0.087 0.000 0.963 531 R CB -0.057 30.285 30.300 0.070 0.000 0.858 531 R HN 0.326 nan 8.270 nan 0.000 0.435 532 E N 0.129 120.359 120.200 0.051 0.000 2.158 532 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 532 E C 1.854 178.442 176.600 -0.019 0.000 0.982 532 E CA 0.688 57.101 56.400 0.022 0.000 0.823 532 E CB 0.257 29.965 29.700 0.014 0.000 0.766 532 E HN 0.325 nan 8.360 nan 0.000 0.468 533 Q N -0.633 119.133 119.800 -0.056 0.000 2.083 533 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 533 Q C 0.470 176.258 176.000 -0.353 0.000 0.969 533 Q CA 1.091 56.752 55.803 -0.238 0.000 0.838 533 Q CB 0.187 28.713 28.738 -0.354 0.000 0.900 533 Q HN 0.323 nan 8.270 nan 0.000 0.436 534 Y N -0.100 120.191 120.300 -0.016 0.000 2.708 534 Y HA 0.177 4.727 4.550 -0.000 0.000 0.287 534 Y C 1.451 177.350 175.900 -0.001 0.000 1.145 534 Y CA -0.315 57.778 58.100 -0.012 0.000 1.249 534 Y CB 0.384 38.770 38.460 -0.123 0.000 1.152 534 Y HN -0.031 nan 8.280 nan 0.000 0.532 535 K N 1.182 121.636 120.400 0.091 0.000 2.113 535 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 535 K C 0.641 177.293 176.600 0.087 0.000 1.047 535 K CA 1.674 58.009 56.287 0.080 0.000 0.928 535 K CB -0.004 32.523 32.500 0.047 0.000 0.716 535 K HN 0.342 nan 8.250 nan 0.000 0.446 536 N N -0.337 118.407 118.700 0.073 0.000 2.275 536 N HA 0.031 4.771 4.740 -0.000 0.000 0.236 536 N C 0.613 176.154 175.510 0.052 0.000 1.154 536 N CA -0.203 52.881 53.050 0.057 0.000 0.866 536 N CB 0.073 38.571 38.487 0.020 0.000 1.093 536 N HN 0.148 nan 8.380 nan 0.000 0.515 537 Y N 0.169 120.435 120.300 -0.056 0.000 2.145 537 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 537 Y C 0.028 175.844 175.900 -0.141 0.000 1.145 537 Y CA 1.526 59.543 58.100 -0.139 0.000 1.148 537 Y CB 0.066 38.363 38.460 -0.272 0.000 0.981 537 Y HN 0.103 nan 8.280 nan 0.000 0.507 538 Y N 1.480 121.926 120.300 0.244 0.000 2.830 538 Y HA 0.308 4.858 4.550 -0.000 0.000 0.371 538 Y C 1.008 176.901 175.900 -0.012 0.000 1.246 538 Y CA -1.155 57.025 58.100 0.132 0.000 1.890 538 Y CB -0.639 37.959 38.460 0.230 0.000 1.995 538 Y HN 0.153 nan 8.280 nan 0.000 0.430 539 G N 1.342 110.184 108.800 0.070 0.000 2.900 539 G HA2 0.202 4.162 3.960 -0.000 0.000 0.335 539 G HA3 0.202 4.162 3.960 -0.000 0.000 0.335 539 G C 0.651 175.541 174.900 -0.017 0.000 0.194 539 G CA 0.859 45.961 45.100 0.003 0.000 1.227 539 G HN 1.172 nan 8.290 nan 0.000 0.354 540 G N 0.775 109.575 108.800 0.000 0.000 3.444 540 G HA2 0.482 4.441 3.960 -0.000 0.000 0.685 540 G HA3 0.482 4.441 3.960 -0.000 0.000 0.685 540 G C 0.148 175.064 174.900 0.027 0.000 1.145 540 G CA 0.180 45.277 45.100 -0.005 0.000 0.973 540 G HN 2.130 nan 8.290 nan 0.000 0.525 541 A N 0.000 122.845 122.820 0.041 0.000 2.254 541 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 541 A CA 0.000 52.077 52.037 0.067 0.000 0.836 541 A CB 0.000 19.035 19.000 0.058 0.000 0.831 541 A HN 0.000 nan 8.150 nan 0.000 0.486