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 3odm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIPCSMMTQ HPDNVETYIS IQQEPAEAIK GLTPQDKGGL GIEEVMIDFE DATA SEQUENCE GKLTPYHQTS QIALGLISNG IIPGKDVRVT PRIPNANKES VFRQLMSIMS DATA SEQUENCE IIETNVQSKE LTGTPAISEV VVPMIETGKE ISEFQDRVNS VVDMGNKNYK DATA SEQUENCE TKLDLNSVRI IPLVEDVPAL ANIDRILDEH YEIEKSKGHI LKDLRIMIAR DATA SEQUENCE SDTAMSYGLI SGVLSVLMAV DGAYKWGEKH GVTISPILGC GSLPFRGHFS DATA SEQUENCE EENIDEILAT YSGIKTFTFQ SALRYDHGEE ATKHAVRELK EKIAQSKPRN DATA SEQUENCE FSEEDKDLMK EFIGICSKHY LQTFLKVIDT VSFVSDFIPK NRDRLTXXXX DATA SEQUENCE XXXXNREVAN LDNVADLVKD EVLKQEILSI DNSKEYAVPR AISFTGAMYT DATA SEQUENCE LGMPPELMGM GRALNEIKTK YGQEGIDKLL EIYPILRKDL AFAARFANGG DATA SEQUENCE VSKKIIDEEA RQEYKEDMKY VNEILNLGLD YDFLNENEFY HTLLKTTKPI DATA SEQUENCE IMHLMGLEEN VMRNSTEELK ILNEWIVRMG KVRGSIG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 K N 2.524 122.931 120.400 0.013 0.000 2.109 2 K HA 0.676 4.996 4.320 -0.000 0.000 0.243 2 K C -0.724 175.887 176.600 0.018 0.000 1.006 2 K CA -0.609 55.689 56.287 0.018 0.000 0.917 2 K CB 0.608 33.121 32.500 0.020 0.000 1.081 2 K HN 0.518 nan 8.250 nan 0.000 0.468 3 I N 2.386 122.970 120.570 0.024 0.000 2.337 3 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 3 I C -2.059 174.074 176.117 0.027 0.000 1.046 3 I CA -2.344 58.969 61.300 0.022 0.000 1.324 3 I CB -0.003 38.011 38.000 0.025 0.000 1.409 3 I HN 0.535 nan 8.210 nan 0.000 0.494 4 P HA 0.071 nan 4.420 nan 0.000 0.268 4 P C 0.664 177.997 177.300 0.055 0.000 1.208 4 P CA -0.238 62.878 63.100 0.026 0.000 0.777 4 P CB 0.598 32.301 31.700 0.006 0.000 0.875 5 C N -1.261 118.092 119.300 0.089 0.000 2.590 5 C HA 0.128 4.588 4.460 -0.000 0.000 0.272 5 C C 0.777 175.915 174.990 0.247 0.000 1.338 5 C CA -0.098 59.031 59.018 0.185 0.000 1.746 5 C CB -1.385 26.492 27.740 0.229 0.000 2.020 5 C HN 0.556 nan 8.230 nan 0.000 0.531 6 S N 0.976 116.737 115.700 0.101 0.000 2.456 6 S HA 0.679 5.149 4.470 -0.000 0.000 0.316 6 S C -0.910 173.660 174.600 -0.050 0.000 1.089 6 S CA -0.235 57.946 58.200 -0.033 0.000 1.101 6 S CB 1.178 64.129 63.200 -0.414 0.000 0.995 6 S HN 0.478 nan 8.310 nan 0.000 0.468 7 M N 5.485 125.134 119.600 0.081 0.000 2.142 7 M HA 0.430 4.910 4.480 -0.000 0.000 0.299 7 M C -0.869 175.495 176.300 0.105 0.000 0.960 7 M CA -0.955 54.379 55.300 0.058 0.000 0.920 7 M CB 1.539 34.175 32.600 0.061 0.000 1.541 7 M HN 0.943 nan 8.290 nan 0.000 0.429 8 M N 3.859 123.482 119.600 0.038 0.000 2.211 8 M HA 0.566 5.046 4.480 -0.000 0.000 0.356 8 M C -0.514 175.842 176.300 0.093 0.000 1.216 8 M CA -0.119 55.233 55.300 0.086 0.000 1.134 8 M CB 0.935 33.554 32.600 0.031 0.000 1.564 8 M HN 0.650 nan 8.290 nan 0.000 0.463 9 T N 0.271 114.913 114.554 0.148 0.000 2.926 9 T HA 0.422 4.772 4.350 -0.000 0.000 0.289 9 T C -0.031 174.746 174.700 0.128 0.000 1.054 9 T CA -0.950 61.238 62.100 0.146 0.000 1.015 9 T CB 1.647 70.702 68.868 0.313 0.000 1.167 9 T HN 0.802 nan 8.240 nan 0.000 0.526 10 Q N -0.076 119.734 119.800 0.017 0.000 2.268 10 Q HA 0.209 4.549 4.340 -0.000 0.000 0.289 10 Q C -0.741 175.232 176.000 -0.044 0.000 0.893 10 Q CA -0.345 55.448 55.803 -0.016 0.000 1.057 10 Q CB -0.205 28.482 28.738 -0.086 0.000 1.173 10 Q HN 0.638 nan 8.270 nan 0.000 0.449 11 H N 1.961 121.047 119.070 0.025 0.000 2.732 11 H HA 0.049 4.605 4.556 -0.000 0.000 0.351 11 H C -1.701 173.645 175.328 0.029 0.000 1.090 11 H CA -1.340 54.725 56.048 0.029 0.000 1.431 11 H CB 0.614 30.399 29.762 0.038 0.000 1.447 11 H HN 0.113 nan 8.280 nan 0.000 0.582 12 P HA 0.017 nan 4.420 nan 0.000 0.220 12 P C -0.285 177.074 177.300 0.099 0.000 1.793 12 P CA -0.046 63.107 63.100 0.088 0.000 0.917 12 P CB -0.011 31.731 31.700 0.069 0.000 1.755 13 D N -0.986 119.486 120.400 0.120 0.000 2.349 13 D HA -0.056 4.584 4.640 -0.000 0.000 0.215 13 D C 0.353 176.699 176.300 0.076 0.000 1.016 13 D CA -0.030 54.025 54.000 0.092 0.000 0.870 13 D CB -0.165 40.678 40.800 0.072 0.000 0.917 13 D HN 0.205 nan 8.370 nan 0.000 0.524 14 N N 0.728 119.477 118.700 0.082 0.000 2.347 14 N HA -0.027 4.713 4.740 -0.000 0.000 0.253 14 N C 0.943 176.490 175.510 0.062 0.000 1.274 14 N CA -0.463 52.640 53.050 0.089 0.000 0.941 14 N CB 1.714 40.260 38.487 0.098 0.000 1.200 14 N HN -0.157 nan 8.380 nan 0.000 0.514 15 V N 0.490 120.448 119.914 0.073 0.000 2.490 15 V HA -0.009 4.111 4.120 -0.000 0.000 0.238 15 V C 2.084 178.207 176.094 0.048 0.000 1.056 15 V CA 1.211 63.548 62.300 0.062 0.000 1.075 15 V CB -0.628 31.241 31.823 0.076 0.000 0.746 15 V HN 0.669 nan 8.190 nan 0.000 0.479 16 E N -0.296 119.934 120.200 0.049 0.000 2.201 16 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 16 E C 0.276 176.891 176.600 0.024 0.000 0.957 16 E CA 0.483 56.908 56.400 0.041 0.000 0.858 16 E CB 0.295 30.029 29.700 0.056 0.000 0.816 16 E HN 0.421 nan 8.360 nan 0.000 0.475 17 T N 1.429 115.968 114.554 -0.024 0.000 2.733 17 T HA 0.154 4.504 4.350 -0.000 0.000 0.294 17 T C -0.799 173.835 174.700 -0.110 0.000 0.956 17 T CA -0.414 61.639 62.100 -0.078 0.000 0.987 17 T CB 0.266 69.017 68.868 -0.194 0.000 0.920 17 T HN 0.059 nan 8.240 nan 0.000 0.470 18 Y N 5.291 125.515 120.300 -0.127 0.000 2.335 18 Y HA 0.483 5.033 4.550 -0.000 0.000 0.331 18 Y C -0.643 175.183 175.900 -0.123 0.000 1.094 18 Y CA -1.350 56.682 58.100 -0.113 0.000 1.253 18 Y CB 0.403 38.824 38.460 -0.065 0.000 1.203 18 Y HN 0.425 nan 8.280 nan 0.000 0.508 19 I N 7.132 127.250 120.570 -0.753 0.000 2.354 19 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 19 I C -0.057 175.561 176.117 -0.831 0.000 1.007 19 I CA -0.483 60.417 61.300 -0.667 0.000 1.167 19 I CB 0.874 38.659 38.000 -0.359 0.000 1.320 19 I HN 0.769 nan 8.210 nan 0.000 0.458 20 S N 5.824 121.069 115.700 -0.759 0.000 2.617 20 S HA 0.408 4.878 4.470 -0.000 0.000 0.269 20 S C 1.451 175.927 174.600 -0.207 0.000 1.292 20 S CA -0.802 57.136 58.200 -0.437 0.000 1.010 20 S CB 1.383 64.467 63.200 -0.193 0.000 0.944 20 S HN 0.592 nan 8.310 nan 0.000 0.536 21 I N -1.415 119.088 120.570 -0.110 0.000 2.800 21 I HA -0.186 3.984 4.170 -0.000 0.000 0.266 21 I C 1.963 178.044 176.117 -0.061 0.000 1.249 21 I CA 1.049 62.300 61.300 -0.081 0.000 1.458 21 I CB -0.729 37.243 38.000 -0.047 0.000 1.093 21 I HN 0.569 nan 8.210 nan 0.000 0.466 22 Q N 1.456 121.223 119.800 -0.054 0.000 2.083 22 Q HA -0.132 4.208 4.340 -0.000 0.000 0.198 22 Q C 2.066 178.039 176.000 -0.044 0.000 0.969 22 Q CA 1.577 57.357 55.803 -0.037 0.000 0.838 22 Q CB -0.161 28.564 28.738 -0.022 0.000 0.900 22 Q HN 0.658 nan 8.270 nan 0.000 0.436 23 Q N -0.177 119.583 119.800 -0.068 0.000 2.425 23 Q HA -0.013 4.327 4.340 -0.000 0.000 0.204 23 Q C 1.270 177.242 176.000 -0.047 0.000 0.933 23 Q CA 0.264 56.034 55.803 -0.055 0.000 0.939 23 Q CB 0.350 29.045 28.738 -0.072 0.000 1.044 23 Q HN 0.410 nan 8.270 nan 0.000 0.513 24 E N 0.791 120.953 120.200 -0.064 0.000 2.106 24 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 24 E C -0.908 175.670 176.600 -0.036 0.000 0.984 24 E CA 0.857 57.224 56.400 -0.055 0.000 0.806 24 E CB -0.589 29.061 29.700 -0.084 0.000 0.750 24 E HN 0.346 nan 8.360 nan 0.000 0.458 25 P HA -0.127 nan 4.420 nan 0.000 0.215 25 P C 1.212 178.504 177.300 -0.013 0.000 1.157 25 P CA 1.668 64.755 63.100 -0.022 0.000 0.859 25 P CB -0.008 31.683 31.700 -0.015 0.000 0.786 26 A N 0.207 123.022 122.820 -0.009 0.000 1.908 26 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 26 A C 2.351 179.938 177.584 0.003 0.000 1.181 26 A CA 1.932 53.968 52.037 -0.002 0.000 0.627 26 A CB -1.440 17.561 19.000 0.002 0.000 0.818 26 A HN 0.199 nan 8.150 nan 0.000 0.445 27 E N -0.215 119.991 120.200 0.011 0.000 2.058 27 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 27 E C 2.169 178.776 176.600 0.012 0.000 0.997 27 E CA 1.220 57.639 56.400 0.031 0.000 0.801 27 E CB -0.236 29.499 29.700 0.057 0.000 0.746 27 E HN 0.548 nan 8.360 nan 0.000 0.450 28 A N 0.916 123.735 122.820 -0.001 0.000 1.897 28 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 28 A C 2.160 179.734 177.584 -0.018 0.000 1.181 28 A CA 0.960 52.990 52.037 -0.012 0.000 0.620 28 A CB -0.541 18.447 19.000 -0.019 0.000 0.821 28 A HN 0.292 nan 8.150 nan 0.000 0.443 29 I N -0.397 120.164 120.570 -0.015 0.000 2.335 29 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 29 I C 2.532 178.638 176.117 -0.019 0.000 1.129 29 I CA 1.591 62.881 61.300 -0.016 0.000 1.402 29 I CB -0.139 37.854 38.000 -0.012 0.000 1.069 29 I HN 0.311 nan 8.210 nan 0.000 0.424 30 K N 0.846 121.236 120.400 -0.017 0.000 2.076 30 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 30 K C 2.162 178.741 176.600 -0.035 0.000 1.051 30 K CA 1.285 57.558 56.287 -0.022 0.000 0.949 30 K CB -0.289 32.200 32.500 -0.018 0.000 0.726 30 K HN 0.384 nan 8.250 nan 0.000 0.443 31 G N 0.855 109.631 108.800 -0.041 0.000 2.448 31 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 31 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 31 G C 1.207 176.067 174.900 -0.067 0.000 1.127 31 G CA 0.531 45.596 45.100 -0.059 0.000 0.766 31 G HN 0.149 nan 8.290 nan 0.000 0.552 32 L N 0.797 121.989 121.223 -0.051 0.000 2.529 32 L HA 0.232 4.572 4.340 -0.000 0.000 0.223 32 L C 1.308 178.153 176.870 -0.041 0.000 1.113 32 L CA 0.263 55.073 54.840 -0.051 0.000 0.861 32 L CB -0.207 41.827 42.059 -0.041 0.000 1.012 32 L HN -0.093 nan 8.230 nan 0.000 0.461 33 T N 3.062 117.595 114.554 -0.035 0.000 2.902 33 T HA 0.088 4.438 4.350 -0.000 0.000 0.301 33 T C -2.272 172.408 174.700 -0.033 0.000 1.012 33 T CA -0.806 61.276 62.100 -0.029 0.000 1.151 33 T CB 0.327 69.181 68.868 -0.023 0.000 0.946 33 T HN -0.018 nan 8.240 nan 0.000 0.542 34 P HA 0.035 nan 4.420 nan 0.000 0.269 34 P C 0.665 177.951 177.300 -0.024 0.000 1.211 34 P CA 0.005 63.088 63.100 -0.027 0.000 0.781 34 P CB 0.725 32.413 31.700 -0.020 0.000 0.877 35 Q N 0.785 120.571 119.800 -0.024 0.000 2.119 35 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 35 Q C 1.126 177.119 176.000 -0.011 0.000 0.972 35 Q CA 1.682 57.474 55.803 -0.019 0.000 0.847 35 Q CB -0.214 28.514 28.738 -0.017 0.000 0.903 35 Q HN 0.603 nan 8.270 nan 0.000 0.433 36 D N -0.552 119.842 120.400 -0.010 0.000 2.324 36 D HA -0.054 4.586 4.640 -0.000 0.000 0.235 36 D C 0.442 176.738 176.300 -0.006 0.000 1.095 36 D CA 0.386 54.382 54.000 -0.006 0.000 0.871 36 D CB 0.057 40.855 40.800 -0.005 0.000 0.906 36 D HN 0.045 nan 8.370 nan 0.000 0.522 37 K N -0.480 119.915 120.400 -0.009 0.000 2.564 37 K HA 0.363 4.683 4.320 -0.000 0.000 0.205 37 K C 0.761 177.356 176.600 -0.009 0.000 1.053 37 K CA 0.153 56.436 56.287 -0.008 0.000 1.072 37 K CB 1.198 33.693 32.500 -0.009 0.000 0.822 37 K HN 0.183 nan 8.250 nan 0.000 0.497 38 G N 0.732 109.526 108.800 -0.009 0.000 2.258 38 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.233 38 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.233 38 G C 0.548 175.440 174.900 -0.015 0.000 1.006 38 G CA -0.178 44.917 45.100 -0.009 0.000 0.620 38 G HN 0.491 nan 8.290 nan 0.000 0.511 39 G N -0.435 108.353 108.800 -0.020 0.000 2.588 39 G HA2 0.538 4.498 3.960 -0.000 0.000 0.278 39 G HA3 0.538 4.498 3.960 -0.000 0.000 0.278 39 G C 1.202 176.081 174.900 -0.036 0.000 1.307 39 G CA -0.117 44.965 45.100 -0.030 0.000 1.016 39 G HN 0.596 nan 8.290 nan 0.000 0.503 40 L N 0.219 121.411 121.223 -0.051 0.000 2.446 40 L HA 0.187 4.527 4.340 -0.000 0.000 0.219 40 L C 2.099 178.922 176.870 -0.078 0.000 1.116 40 L CA 0.681 55.485 54.840 -0.061 0.000 0.844 40 L CB -0.425 41.587 42.059 -0.079 0.000 0.970 40 L HN 0.891 nan 8.230 nan 0.000 0.457 41 G N 1.561 110.315 108.800 -0.077 0.000 2.198 41 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 41 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 41 G C 0.261 175.086 174.900 -0.125 0.000 1.025 41 G CA -0.038 45.014 45.100 -0.080 0.000 0.769 41 G HN 0.309 nan 8.290 nan 0.000 0.507 42 I N -0.233 120.235 120.570 -0.170 0.000 2.696 42 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 42 I C 1.347 177.380 176.117 -0.140 0.000 1.129 42 I CA 0.217 61.374 61.300 -0.238 0.000 1.410 42 I CB 0.831 38.658 38.000 -0.288 0.000 1.399 42 I HN 0.196 nan 8.210 nan 0.000 0.579 43 E N 3.181 123.308 120.200 -0.121 0.000 2.481 43 E HA 0.121 4.471 4.350 -0.000 0.000 0.198 43 E C -0.227 176.344 176.600 -0.048 0.000 1.027 43 E CA 0.055 56.416 56.400 -0.066 0.000 0.900 43 E CB 0.592 30.266 29.700 -0.044 0.000 0.993 43 E HN 0.499 nan 8.360 nan 0.000 0.482 44 E N 0.462 120.630 120.200 -0.055 0.000 2.335 44 E HA 0.324 4.674 4.350 -0.000 0.000 0.280 44 E C -1.946 174.638 176.600 -0.027 0.000 0.918 44 E CA -0.636 55.745 56.400 -0.031 0.000 0.765 44 E CB 2.374 32.064 29.700 -0.015 0.000 1.218 44 E HN -0.062 nan 8.360 nan 0.000 0.425 45 V N 5.444 125.346 119.914 -0.019 0.000 2.555 45 V HA 0.549 4.669 4.120 -0.000 0.000 0.302 45 V C -0.688 175.400 176.094 -0.009 0.000 1.038 45 V CA -0.640 61.652 62.300 -0.013 0.000 0.887 45 V CB 1.623 33.434 31.823 -0.020 0.000 0.991 45 V HN 0.864 nan 8.190 nan 0.000 0.434 46 M N 7.784 127.381 119.600 -0.005 0.000 2.101 46 M HA 0.542 5.022 4.480 -0.000 0.000 0.340 46 M C -1.234 175.041 176.300 -0.041 0.000 1.057 46 M CA -0.461 54.832 55.300 -0.012 0.000 0.984 46 M CB 0.934 33.534 32.600 -0.000 0.000 1.560 46 M HN 0.622 nan 8.290 nan 0.000 0.435 47 I N 4.413 124.954 120.570 -0.049 0.000 2.322 47 I HA 0.102 4.272 4.170 -0.000 0.000 0.292 47 I C -0.245 175.778 176.117 -0.157 0.000 1.060 47 I CA -0.285 60.941 61.300 -0.123 0.000 1.309 47 I CB 0.573 38.508 38.000 -0.108 0.000 1.415 47 I HN 0.613 nan 8.210 nan 0.000 0.492 48 D N 6.199 126.466 120.400 -0.220 0.000 2.422 48 D HA 0.140 4.780 4.640 -0.000 0.000 0.227 48 D C 0.279 176.439 176.300 -0.232 0.000 1.190 48 D CA -0.016 53.879 54.000 -0.176 0.000 0.905 48 D CB 0.356 41.048 40.800 -0.180 0.000 1.034 48 D HN 0.277 nan 8.370 nan 0.000 0.507 49 F N 1.568 121.482 119.950 -0.060 0.000 2.765 49 F HA 0.144 4.671 4.527 -0.000 0.000 0.302 49 F C 2.042 177.815 175.800 -0.044 0.000 1.111 49 F CA 0.012 57.984 58.000 -0.047 0.000 1.359 49 F CB 0.305 39.274 39.000 -0.052 0.000 1.097 49 F HN 0.466 nan 8.300 nan 0.000 0.577 50 E N -0.046 120.200 120.200 0.078 0.000 2.045 50 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 50 E C 2.187 178.800 176.600 0.022 0.000 0.968 50 E CA 0.938 57.362 56.400 0.040 0.000 0.813 50 E CB -0.374 29.328 29.700 0.003 0.000 0.780 50 E HN 0.300 nan 8.360 nan 0.000 0.455 51 G N 1.002 109.797 108.800 -0.008 0.000 3.141 51 G HA2 0.057 4.017 3.960 -0.000 0.000 0.218 51 G HA3 0.057 4.017 3.960 -0.000 0.000 0.218 51 G C 0.361 175.261 174.900 -0.000 0.000 1.170 51 G CA -0.198 44.899 45.100 -0.004 0.000 0.769 51 G HN 0.011 nan 8.290 nan 0.000 0.546 52 K N -0.309 120.090 120.400 -0.001 0.000 2.375 52 K HA 0.475 4.795 4.320 -0.000 0.000 0.249 52 K C -0.100 176.507 176.600 0.013 0.000 0.942 52 K CA -0.954 55.323 56.287 -0.017 0.000 0.806 52 K CB 2.016 34.468 32.500 -0.079 0.000 1.227 52 K HN -0.068 nan 8.250 nan 0.000 0.430 53 L N 2.702 123.934 121.223 0.015 0.000 2.855 53 L HA 0.120 4.460 4.340 -0.000 0.000 0.257 53 L C -0.569 176.323 176.870 0.037 0.000 1.206 53 L CA 0.569 55.434 54.840 0.041 0.000 1.042 53 L CB -0.638 41.446 42.059 0.042 0.000 1.321 53 L HN 0.549 nan 8.230 nan 0.000 0.417 54 T N 1.974 116.521 114.554 -0.012 0.000 2.902 54 T HA 0.131 4.481 4.350 -0.000 0.000 0.301 54 T C -2.205 172.562 174.700 0.111 0.000 1.012 54 T CA -0.563 61.478 62.100 -0.099 0.000 1.151 54 T CB 0.246 68.804 68.868 -0.517 0.000 0.946 54 T HN 0.188 nan 8.240 nan 0.000 0.542 55 P HA 0.108 nan 4.420 nan 0.000 0.271 55 P C 0.385 177.945 177.300 0.434 0.000 1.216 55 P CA -0.495 62.794 63.100 0.315 0.000 0.776 55 P CB 0.387 32.275 31.700 0.313 0.000 0.881 56 Y N 3.581 124.023 120.300 0.237 0.000 2.132 56 Y HA -0.350 4.200 4.550 -0.000 0.000 0.280 56 Y C 1.643 177.548 175.900 0.009 0.000 1.193 56 Y CA 2.106 60.219 58.100 0.023 0.000 1.157 56 Y CB -0.650 37.649 38.460 -0.269 0.000 0.966 56 Y HN 0.501 nan 8.280 nan 0.000 0.511 57 H N -0.839 118.367 119.070 0.226 0.000 2.559 57 H HA -0.043 4.513 4.556 -0.000 0.000 0.273 57 H C 2.122 177.469 175.328 0.031 0.000 1.000 57 H CA 1.028 57.142 56.048 0.110 0.000 1.195 57 H CB -0.346 29.505 29.762 0.148 0.000 1.368 57 H HN 0.528 nan 8.280 nan 0.000 0.592 58 Q N 0.518 120.416 119.800 0.162 0.000 2.079 58 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 58 Q C 1.585 177.601 176.000 0.027 0.000 0.974 58 Q CA 1.912 57.752 55.803 0.061 0.000 0.840 58 Q CB 0.082 28.795 28.738 -0.042 0.000 0.898 58 Q HN 0.435 nan 8.270 nan 0.000 0.430 59 T N 0.220 114.803 114.554 0.048 0.000 2.624 59 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 59 T C 2.003 176.686 174.700 -0.028 0.000 1.041 59 T CA 1.682 63.788 62.100 0.011 0.000 1.159 59 T CB -0.384 68.468 68.868 -0.027 0.000 0.863 59 T HN 0.262 nan 8.240 nan 0.000 0.434 60 S N 1.205 116.878 115.700 -0.044 0.000 2.368 60 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 60 S C 2.246 176.849 174.600 0.005 0.000 1.030 60 S CA 1.039 59.226 58.200 -0.022 0.000 0.999 60 S CB -0.373 62.826 63.200 -0.002 0.000 0.844 60 S HN 0.546 nan 8.310 nan 0.000 0.459 61 Q N 0.310 120.125 119.800 0.025 0.000 2.135 61 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 61 Q C 2.031 178.033 176.000 0.004 0.000 0.981 61 Q CA 1.268 57.084 55.803 0.022 0.000 0.856 61 Q CB -0.265 28.490 28.738 0.027 0.000 0.902 61 Q HN 0.542 nan 8.270 nan 0.000 0.425 62 I N -0.230 120.337 120.570 -0.005 0.000 2.270 62 I HA -0.170 4.000 4.170 -0.000 0.000 0.239 62 I C 2.399 178.508 176.117 -0.014 0.000 1.080 62 I CA 0.677 61.969 61.300 -0.013 0.000 1.383 62 I CB -0.495 37.492 38.000 -0.021 0.000 1.097 62 I HN 0.141 nan 8.210 nan 0.000 0.420 63 A N 1.384 124.194 122.820 -0.016 0.000 1.873 63 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 63 A C 2.260 179.834 177.584 -0.016 0.000 1.193 63 A CA 1.777 53.803 52.037 -0.020 0.000 0.629 63 A CB -1.051 17.933 19.000 -0.027 0.000 0.826 63 A HN 0.413 nan 8.150 nan 0.000 0.447 64 L N -1.046 120.170 121.223 -0.012 0.000 2.179 64 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 64 L C 2.790 179.658 176.870 -0.004 0.000 1.096 64 L CA 0.768 55.604 54.840 -0.007 0.000 0.779 64 L CB -0.771 41.288 42.059 -0.001 0.000 0.922 64 L HN 0.476 nan 8.230 nan 0.000 0.443 65 G N 0.354 109.152 108.800 -0.003 0.000 2.422 65 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 65 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 65 G C 1.649 176.546 174.900 -0.006 0.000 1.146 65 G CA 0.439 45.538 45.100 -0.003 0.000 0.769 65 G HN 0.178 nan 8.290 nan 0.000 0.547 66 L N 0.072 121.289 121.223 -0.009 0.000 1.994 66 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 66 L C 2.876 179.740 176.870 -0.010 0.000 1.071 66 L CA 0.917 55.750 54.840 -0.011 0.000 0.745 66 L CB -0.400 41.650 42.059 -0.014 0.000 0.892 66 L HN 0.183 nan 8.230 nan 0.000 0.431 67 I N -0.896 119.668 120.570 -0.010 0.000 2.194 67 I HA -0.352 3.818 4.170 -0.000 0.000 0.246 67 I C 2.757 178.870 176.117 -0.006 0.000 1.093 67 I CA 1.334 62.629 61.300 -0.009 0.000 1.355 67 I CB -0.368 37.627 38.000 -0.009 0.000 1.046 67 I HN 0.205 nan 8.210 nan 0.000 0.413 68 S N 0.380 116.078 115.700 -0.004 0.000 2.440 68 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 68 S C 1.469 176.068 174.600 -0.003 0.000 1.010 68 S CA 1.348 59.547 58.200 -0.002 0.000 0.972 68 S CB -0.408 62.791 63.200 -0.001 0.000 0.774 68 S HN 0.476 nan 8.310 nan 0.000 0.501 69 N N -0.329 118.368 118.700 -0.005 0.000 2.203 69 N HA 0.161 4.901 4.740 -0.000 0.000 0.207 69 N C 0.824 176.331 175.510 -0.006 0.000 1.130 69 N CA 0.546 53.593 53.050 -0.005 0.000 0.861 69 N CB 0.781 39.264 38.487 -0.007 0.000 1.005 69 N HN 0.460 nan 8.380 nan 0.000 0.507 70 G N 1.766 110.562 108.800 -0.006 0.000 2.147 70 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 70 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 70 G C -0.053 174.842 174.900 -0.008 0.000 1.005 70 G CA -0.116 44.981 45.100 -0.006 0.000 0.713 70 G HN 0.309 nan 8.290 nan 0.000 0.515 71 I N 1.539 122.103 120.570 -0.010 0.000 2.328 71 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 71 I C 0.027 176.136 176.117 -0.012 0.000 1.012 71 I CA -1.028 60.265 61.300 -0.012 0.000 1.195 71 I CB 1.100 39.091 38.000 -0.015 0.000 1.350 71 I HN -0.115 nan 8.210 nan 0.000 0.464 72 I N 8.602 129.165 120.570 -0.012 0.000 2.307 72 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 72 I C -2.315 173.794 176.117 -0.013 0.000 1.021 72 I CA -2.925 58.368 61.300 -0.012 0.000 1.224 72 I CB 0.585 38.580 38.000 -0.010 0.000 1.376 72 I HN 0.156 nan 8.210 nan 0.000 0.470 73 P HA 0.250 nan 4.420 nan 0.000 0.271 73 P C 0.942 178.234 177.300 -0.014 0.000 1.226 73 P CA 0.508 63.599 63.100 -0.016 0.000 0.765 73 P CB 0.818 32.507 31.700 -0.019 0.000 0.835 74 G N 2.358 111.151 108.800 -0.012 0.000 2.213 74 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 74 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 74 G C 0.926 175.823 174.900 -0.006 0.000 0.991 74 G CA 0.589 45.683 45.100 -0.009 0.000 0.629 74 G HN 0.525 nan 8.290 nan 0.000 0.517 75 K N -0.554 119.842 120.400 -0.007 0.000 2.431 75 K HA 0.281 4.601 4.320 -0.000 0.000 0.213 75 K C 1.694 178.291 176.600 -0.006 0.000 1.258 75 K CA 0.794 57.078 56.287 -0.005 0.000 0.845 75 K CB 0.143 32.640 32.500 -0.006 0.000 1.498 75 K HN 0.059 nan 8.250 nan 0.000 0.451 76 D N 0.218 120.613 120.400 -0.009 0.000 2.149 76 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 76 D C 0.673 176.965 176.300 -0.013 0.000 0.967 76 D CA 1.163 55.157 54.000 -0.010 0.000 0.848 76 D CB 0.441 41.234 40.800 -0.012 0.000 0.998 76 D HN 0.154 nan 8.370 nan 0.000 0.474 77 V N -2.657 117.248 119.914 -0.015 0.000 3.165 77 V HA 0.626 4.746 4.120 -0.000 0.000 0.309 77 V C -1.114 174.971 176.094 -0.015 0.000 1.267 77 V CA -1.175 61.114 62.300 -0.018 0.000 1.067 77 V CB 2.769 34.578 31.823 -0.024 0.000 1.082 77 V HN -0.212 nan 8.190 nan 0.000 0.451 78 R N 0.411 120.902 120.500 -0.016 0.000 2.534 78 R HA 0.778 5.118 4.340 -0.000 0.000 0.301 78 R C -1.588 174.704 176.300 -0.014 0.000 0.961 78 R CA -0.691 55.401 56.100 -0.013 0.000 0.871 78 R CB 2.304 32.599 30.300 -0.009 0.000 1.170 78 R HN 0.671 nan 8.270 nan 0.000 0.446 79 V N 2.453 122.359 119.914 -0.014 0.000 2.370 79 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 79 V C -0.060 176.029 176.094 -0.008 0.000 1.029 79 V CA -0.337 61.956 62.300 -0.012 0.000 0.870 79 V CB 1.714 33.529 31.823 -0.014 0.000 0.984 79 V HN 0.771 nan 8.190 nan 0.000 0.451 80 T N 6.963 121.514 114.554 -0.004 0.000 3.077 80 T HA 0.358 4.708 4.350 -0.000 0.000 0.359 80 T C -2.784 171.921 174.700 0.009 0.000 1.108 80 T CA -1.064 61.036 62.100 -0.000 0.000 1.170 80 T CB 1.491 70.357 68.868 -0.003 0.000 1.045 80 T HN 0.387 nan 8.240 nan 0.000 0.505 81 P HA 0.327 nan 4.420 nan 0.000 0.275 81 P C -0.354 176.979 177.300 0.055 0.000 1.228 81 P CA -0.714 62.431 63.100 0.075 0.000 0.786 81 P CB 0.791 32.570 31.700 0.132 0.000 0.927 82 R N 3.792 124.335 120.500 0.073 0.000 2.310 82 R HA 0.487 4.827 4.340 -0.000 0.000 0.324 82 R C -0.126 176.223 176.300 0.083 0.000 0.955 82 R CA -0.695 55.425 56.100 0.034 0.000 0.830 82 R CB 0.187 30.486 30.300 -0.002 0.000 1.154 82 R HN 0.551 nan 8.270 nan 0.000 0.458 83 I N 1.095 121.669 120.570 0.007 0.000 2.793 83 I HA 0.661 4.831 4.170 -0.000 0.000 0.313 83 I C -2.513 173.563 176.117 -0.068 0.000 0.998 83 I CA -3.324 57.960 61.300 -0.026 0.000 1.140 83 I CB 1.812 39.728 38.000 -0.140 0.000 1.327 83 I HN 0.397 nan 8.210 nan 0.000 0.491 84 P HA 0.073 nan 4.420 nan 0.000 0.275 84 P C -0.951 176.242 177.300 -0.178 0.000 1.228 84 P CA -0.223 62.834 63.100 -0.073 0.000 0.786 84 P CB 0.368 32.049 31.700 -0.032 0.000 0.927 85 N N 2.277 120.893 118.700 -0.141 0.000 2.416 85 N HA 0.042 4.782 4.740 -0.000 0.000 0.265 85 N C 1.173 176.641 175.510 -0.069 0.000 1.195 85 N CA 0.097 53.043 53.050 -0.174 0.000 0.943 85 N CB 0.549 39.028 38.487 -0.012 0.000 1.115 85 N HN 0.317 nan 8.380 nan 0.000 0.481 86 A N 4.882 127.641 122.820 -0.102 0.000 1.978 86 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 86 A C 1.852 179.511 177.584 0.125 0.000 1.170 86 A CA 1.210 53.282 52.037 0.058 0.000 0.636 86 A CB -0.257 18.833 19.000 0.150 0.000 0.810 86 A HN 0.821 nan 8.150 nan 0.000 0.448 87 N N -0.056 118.758 118.700 0.191 0.000 2.142 87 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 87 N C 1.507 177.062 175.510 0.075 0.000 1.023 87 N CA 1.260 54.386 53.050 0.127 0.000 0.852 87 N CB -0.214 38.352 38.487 0.132 0.000 0.998 87 N HN 0.416 nan 8.380 nan 0.000 0.424 88 K N 1.620 122.062 120.400 0.069 0.000 1.973 88 K HA -0.033 4.287 4.320 -0.000 0.000 0.210 88 K C 1.796 178.415 176.600 0.031 0.000 1.045 88 K CA 1.165 57.478 56.287 0.042 0.000 0.937 88 K CB -0.440 32.081 32.500 0.036 0.000 0.721 88 K HN 0.299 nan 8.250 nan 0.000 0.438 89 E N 0.540 120.756 120.200 0.027 0.000 2.332 89 E HA -0.005 4.345 4.350 -0.000 0.000 0.257 89 E C 0.320 176.936 176.600 0.028 0.000 0.786 89 E CA 0.323 56.737 56.400 0.024 0.000 1.380 89 E CB 0.236 29.948 29.700 0.021 0.000 1.300 89 E HN 0.291 nan 8.360 nan 0.000 0.536 90 S N -1.371 114.351 115.700 0.036 0.000 2.565 90 S HA 0.181 4.651 4.470 -0.000 0.000 0.269 90 S C 0.819 175.470 174.600 0.085 0.000 1.153 90 S CA -0.456 57.771 58.200 0.045 0.000 0.835 90 S CB 1.295 64.509 63.200 0.022 0.000 1.122 90 S HN 0.072 nan 8.310 nan 0.000 0.462 91 V N 0.399 120.384 119.914 0.118 0.000 2.282 91 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 91 V C 2.025 178.289 176.094 0.283 0.000 1.057 91 V CA 2.083 64.499 62.300 0.193 0.000 1.032 91 V CB -1.631 30.336 31.823 0.240 0.000 0.645 91 V HN 0.834 nan 8.190 nan 0.000 0.447 92 F N 0.223 120.170 119.950 -0.005 0.000 2.146 92 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 92 F C 2.895 178.680 175.800 -0.025 0.000 1.096 92 F CA 1.441 59.432 58.000 -0.014 0.000 1.275 92 F CB -0.204 38.790 39.000 -0.010 0.000 1.008 92 F HN -0.038 nan 8.300 nan 0.000 0.480 93 R N 0.123 120.730 120.500 0.177 0.000 2.105 93 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 93 R C 2.182 178.481 176.300 -0.001 0.000 1.135 93 R CA 1.664 57.809 56.100 0.075 0.000 0.967 93 R CB -0.403 29.935 30.300 0.064 0.000 0.861 93 R HN 0.378 nan 8.270 nan 0.000 0.442 94 Q N 0.452 120.248 119.800 -0.007 0.000 2.049 94 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 94 Q C 2.075 178.013 176.000 -0.103 0.000 0.971 94 Q CA 1.172 56.925 55.803 -0.083 0.000 0.833 94 Q CB 0.047 28.728 28.738 -0.094 0.000 0.896 94 Q HN 0.328 nan 8.270 nan 0.000 0.434 95 L N 0.708 121.895 121.223 -0.060 0.000 1.989 95 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 95 L C 2.826 179.627 176.870 -0.115 0.000 1.071 95 L CA 1.286 56.070 54.840 -0.093 0.000 0.749 95 L CB -0.665 41.320 42.059 -0.124 0.000 0.890 95 L HN 0.467 nan 8.230 nan 0.000 0.431 96 M N -0.370 119.165 119.600 -0.108 0.000 2.108 96 M HA -0.279 4.201 4.480 -0.000 0.000 0.257 96 M C 2.411 178.647 176.300 -0.107 0.000 1.071 96 M CA 2.574 57.832 55.300 -0.069 0.000 1.093 96 M CB -0.719 31.857 32.600 -0.040 0.000 1.345 96 M HN 0.297 nan 8.290 nan 0.000 0.403 97 S N 0.313 115.848 115.700 -0.275 0.000 2.355 97 S HA -0.086 4.384 4.470 -0.000 0.000 0.222 97 S C 1.992 176.306 174.600 -0.477 0.000 1.031 97 S CA 1.399 59.225 58.200 -0.623 0.000 0.993 97 S CB -0.341 62.511 63.200 -0.579 0.000 0.859 97 S HN 0.611 nan 8.310 nan 0.000 0.453 98 I N 0.998 121.406 120.570 -0.270 0.000 2.226 98 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 98 I C 2.629 178.659 176.117 -0.145 0.000 1.100 98 I CA 1.373 62.562 61.300 -0.185 0.000 1.374 98 I CB -0.350 37.578 38.000 -0.119 0.000 1.057 98 I HN 0.365 nan 8.210 nan 0.000 0.413 99 M N 0.458 120.005 119.600 -0.089 0.000 2.082 99 M HA -0.255 4.225 4.480 -0.000 0.000 0.258 99 M C 2.633 178.915 176.300 -0.030 0.000 1.069 99 M CA 2.451 57.754 55.300 0.004 0.000 1.102 99 M CB -0.494 32.169 32.600 0.106 0.000 1.336 99 M HN 0.408 nan 8.290 nan 0.000 0.404 100 S N 0.612 116.183 115.700 -0.214 0.000 2.383 100 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 100 S C 1.726 176.120 174.600 -0.344 0.000 1.030 100 S CA 1.406 59.214 58.200 -0.654 0.000 1.002 100 S CB -1.048 61.481 63.200 -1.118 0.000 0.829 100 S HN 0.521 nan 8.310 nan 0.000 0.467 101 I N 0.623 121.048 120.570 -0.242 0.000 2.179 101 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 101 I C 2.359 178.394 176.117 -0.136 0.000 1.088 101 I CA 1.234 62.441 61.300 -0.156 0.000 1.357 101 I CB -0.470 37.456 38.000 -0.123 0.000 1.051 101 I HN 0.269 nan 8.210 nan 0.000 0.409 102 I N 0.829 121.325 120.570 -0.123 0.000 2.226 102 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 102 I C 2.586 178.584 176.117 -0.199 0.000 1.100 102 I CA 1.534 62.760 61.300 -0.123 0.000 1.374 102 I CB -0.486 37.469 38.000 -0.075 0.000 1.057 102 I HN 0.227 nan 8.210 nan 0.000 0.413 103 E N -0.108 119.978 120.200 -0.190 0.000 2.031 103 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 103 E C 2.116 178.576 176.600 -0.234 0.000 0.994 103 E CA 1.922 58.157 56.400 -0.275 0.000 0.800 103 E CB -0.085 29.575 29.700 -0.066 0.000 0.752 103 E HN 0.387 nan 8.360 nan 0.000 0.447 104 T N 1.183 115.635 114.554 -0.170 0.000 2.721 104 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 104 T C 1.525 176.152 174.700 -0.121 0.000 1.038 104 T CA 1.483 63.506 62.100 -0.129 0.000 1.145 104 T CB -0.324 68.473 68.868 -0.117 0.000 0.858 104 T HN 0.178 nan 8.240 nan 0.000 0.459 105 N N 0.436 119.054 118.700 -0.137 0.000 2.188 105 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 105 N C 1.878 177.310 175.510 -0.131 0.000 1.018 105 N CA 0.560 53.541 53.050 -0.115 0.000 0.858 105 N CB -0.587 37.838 38.487 -0.104 0.000 0.989 105 N HN 0.230 nan 8.380 nan 0.000 0.426 106 V N 1.449 121.238 119.914 -0.207 0.000 2.244 106 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 106 V C 2.202 178.214 176.094 -0.138 0.000 1.042 106 V CA 1.573 63.740 62.300 -0.221 0.000 1.006 106 V CB -0.693 30.848 31.823 -0.471 0.000 0.641 106 V HN 0.311 nan 8.190 nan 0.000 0.446 107 Q N 0.676 120.395 119.800 -0.135 0.000 2.112 107 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 107 Q C 2.430 178.402 176.000 -0.047 0.000 0.987 107 Q CA 2.284 58.049 55.803 -0.064 0.000 0.858 107 Q CB -0.370 28.340 28.738 -0.046 0.000 0.905 107 Q HN 0.816 nan 8.270 nan 0.000 0.420 108 S N 0.202 115.867 115.700 -0.057 0.000 2.406 108 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 108 S C 1.848 176.426 174.600 -0.035 0.000 1.030 108 S CA 0.736 58.911 58.200 -0.041 0.000 0.958 108 S CB -0.085 63.089 63.200 -0.042 0.000 0.811 108 S HN 0.216 nan 8.310 nan 0.000 0.489 109 K N 1.387 121.760 120.400 -0.045 0.000 2.063 109 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 109 K C 2.084 178.670 176.600 -0.024 0.000 1.048 109 K CA 1.649 57.916 56.287 -0.034 0.000 0.928 109 K CB -0.220 32.255 32.500 -0.041 0.000 0.713 109 K HN 0.513 nan 8.250 nan 0.000 0.442 110 E N 0.154 120.339 120.200 -0.024 0.000 2.265 110 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 110 E C 1.854 178.450 176.600 -0.007 0.000 0.996 110 E CA 0.879 57.272 56.400 -0.010 0.000 0.832 110 E CB 0.085 29.782 29.700 -0.004 0.000 0.756 110 E HN 0.352 nan 8.360 nan 0.000 0.491 111 L N -0.503 120.714 121.223 -0.010 0.000 2.298 111 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 111 L C 2.392 179.257 176.870 -0.007 0.000 1.084 111 L CA 1.300 56.136 54.840 -0.007 0.000 0.816 111 L CB 0.213 42.268 42.059 -0.007 0.000 0.967 111 L HN 0.183 nan 8.230 nan 0.000 0.460 112 T N -5.777 108.771 114.554 -0.010 0.000 2.958 112 T HA 0.308 4.658 4.350 -0.000 0.000 0.256 112 T C 1.368 176.063 174.700 -0.009 0.000 0.983 112 T CA 0.536 62.630 62.100 -0.009 0.000 0.924 112 T CB 1.140 70.001 68.868 -0.011 0.000 1.136 112 T HN 0.300 nan 8.240 nan 0.000 0.506 113 G N 0.823 109.616 108.800 -0.011 0.000 2.175 113 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 113 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 113 G C 0.133 175.025 174.900 -0.013 0.000 0.982 113 G CA 0.184 45.278 45.100 -0.010 0.000 0.641 113 G HN 0.788 nan 8.290 nan 0.000 0.527 114 T N 3.547 118.091 114.554 -0.016 0.000 2.847 114 T HA 0.573 4.923 4.350 -0.000 0.000 0.291 114 T C -2.606 172.079 174.700 -0.024 0.000 0.998 114 T CA -0.865 61.224 62.100 -0.017 0.000 0.967 114 T CB 2.997 71.857 68.868 -0.013 0.000 0.954 114 T HN 0.112 nan 8.240 nan 0.000 0.441 115 P HA 0.131 nan 4.420 nan 0.000 0.264 115 P C 0.554 177.835 177.300 -0.032 0.000 1.193 115 P CA -0.090 62.988 63.100 -0.037 0.000 0.763 115 P CB 0.718 32.395 31.700 -0.038 0.000 0.810 116 A N 4.702 127.500 122.820 -0.038 0.000 2.019 116 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 116 A C 1.166 178.733 177.584 -0.028 0.000 1.164 116 A CA 1.130 53.147 52.037 -0.032 0.000 0.644 116 A CB -0.581 18.397 19.000 -0.037 0.000 0.805 116 A HN 0.586 nan 8.150 nan 0.000 0.449 117 I N -0.811 119.740 120.570 -0.033 0.000 2.509 117 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 117 I C 0.626 176.729 176.117 -0.022 0.000 1.020 117 I CA -0.125 61.159 61.300 -0.027 0.000 1.088 117 I CB 2.485 40.465 38.000 -0.033 0.000 1.267 117 I HN 0.139 nan 8.210 nan 0.000 0.430 118 S N 2.043 117.736 115.700 -0.012 0.000 2.687 118 S HA 0.401 4.871 4.470 -0.000 0.000 0.247 118 S C 0.159 174.762 174.600 0.005 0.000 1.050 118 S CA -0.419 57.779 58.200 -0.003 0.000 1.063 118 S CB 0.352 63.554 63.200 0.004 0.000 1.039 118 S HN 0.681 nan 8.310 nan 0.000 0.580 119 E N 0.583 120.783 120.200 0.000 0.000 2.408 119 E HA 0.660 5.010 4.350 -0.000 0.000 0.275 119 E C -1.651 174.946 176.600 -0.005 0.000 0.935 119 E CA -1.070 55.332 56.400 0.004 0.000 0.775 119 E CB 2.877 32.581 29.700 0.006 0.000 1.277 119 E HN 0.215 nan 8.360 nan 0.000 0.455 120 V N -1.370 118.539 119.914 -0.007 0.000 2.888 120 V HA 0.590 4.710 4.120 -0.000 0.000 0.309 120 V C -0.713 175.367 176.094 -0.023 0.000 1.114 120 V CA -1.003 61.286 62.300 -0.019 0.000 0.940 120 V CB 1.526 33.327 31.823 -0.037 0.000 1.021 120 V HN 0.406 nan 8.190 nan 0.000 0.426 121 V N 4.022 123.921 119.914 -0.025 0.000 2.407 121 V HA 0.507 4.627 4.120 -0.000 0.000 0.278 121 V C 0.025 176.087 176.094 -0.053 0.000 1.037 121 V CA -0.344 61.937 62.300 -0.031 0.000 0.900 121 V CB 1.556 33.366 31.823 -0.022 0.000 0.983 121 V HN 0.767 nan 8.190 nan 0.000 0.459 122 V N 7.976 127.854 119.914 -0.060 0.000 2.384 122 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 122 V C -2.064 174.005 176.094 -0.042 0.000 1.020 122 V CA -1.779 60.461 62.300 -0.099 0.000 0.850 122 V CB 1.716 33.448 31.823 -0.152 0.000 0.987 122 V HN 0.713 nan 8.190 nan 0.000 0.436 123 P HA 0.300 nan 4.420 nan 0.000 0.276 123 P C 0.231 177.542 177.300 0.018 0.000 1.261 123 P CA -0.453 62.641 63.100 -0.011 0.000 0.800 123 P CB 0.560 32.252 31.700 -0.014 0.000 1.066 124 M N -2.195 117.417 119.600 0.020 0.000 2.393 124 M HA -0.170 4.310 4.480 -0.000 0.000 0.201 124 M C -0.085 176.242 176.300 0.045 0.000 0.403 124 M CA 0.557 55.876 55.300 0.031 0.000 0.471 124 M CB -1.495 31.126 32.600 0.035 0.000 1.669 124 M HN 0.259 nan 8.290 nan 0.000 0.864 125 I N 0.758 121.350 120.570 0.037 0.000 2.648 125 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 125 I C 1.253 177.371 176.117 0.002 0.000 1.153 125 I CA 0.972 62.292 61.300 0.034 0.000 1.426 125 I CB 1.040 39.044 38.000 0.007 0.000 1.381 125 I HN 0.403 nan 8.210 nan 0.000 0.571 126 E N 1.836 122.031 120.200 -0.008 0.000 2.502 126 E HA 0.020 4.370 4.350 -0.000 0.000 0.206 126 E C 0.118 176.693 176.600 -0.042 0.000 0.821 126 E CA 0.080 56.467 56.400 -0.022 0.000 1.354 126 E CB 0.716 30.411 29.700 -0.009 0.000 1.336 126 E HN 0.780 nan 8.360 nan 0.000 0.675 127 T N -2.482 112.040 114.554 -0.052 0.000 2.925 127 T HA 0.463 4.813 4.350 -0.000 0.000 0.285 127 T C 1.165 175.816 174.700 -0.081 0.000 1.021 127 T CA -0.248 61.813 62.100 -0.064 0.000 1.042 127 T CB 1.764 70.595 68.868 -0.062 0.000 1.037 127 T HN 0.054 nan 8.240 nan 0.000 0.481 128 G N 0.944 109.702 108.800 -0.070 0.000 2.471 128 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 128 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 128 G C 1.313 176.197 174.900 -0.028 0.000 1.125 128 G CA 0.891 45.962 45.100 -0.050 0.000 0.775 128 G HN 0.963 nan 8.290 nan 0.000 0.548 129 K N 0.585 120.952 120.400 -0.054 0.000 2.103 129 K HA 0.091 4.411 4.320 -0.000 0.000 0.204 129 K C 2.028 178.531 176.600 -0.162 0.000 1.052 129 K CA 1.397 57.643 56.287 -0.068 0.000 0.945 129 K CB -0.321 32.138 32.500 -0.069 0.000 0.722 129 K HN 0.301 nan 8.250 nan 0.000 0.443 130 E N 1.023 121.091 120.200 -0.219 0.000 2.086 130 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 130 E C 1.900 178.191 176.600 -0.516 0.000 1.012 130 E CA 2.112 58.264 56.400 -0.412 0.000 0.812 130 E CB -0.168 29.386 29.700 -0.244 0.000 0.743 130 E HN 0.472 nan 8.360 nan 0.000 0.453 131 I N 0.119 120.538 120.570 -0.251 0.000 2.179 131 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 131 I C 2.484 178.521 176.117 -0.132 0.000 1.088 131 I CA 1.058 62.231 61.300 -0.212 0.000 1.357 131 I CB -0.242 37.461 38.000 -0.494 0.000 1.051 131 I HN 0.031 nan 8.210 nan 0.000 0.409 132 S N -0.184 115.512 115.700 -0.008 0.000 2.428 132 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 132 S C 1.917 176.527 174.600 0.017 0.000 1.014 132 S CA 0.938 59.227 58.200 0.149 0.000 0.957 132 S CB -0.226 63.088 63.200 0.190 0.000 0.784 132 S HN 0.442 nan 8.310 nan 0.000 0.499 133 E N 0.114 120.228 120.200 -0.142 0.000 2.110 133 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 133 E C 1.248 177.801 176.600 -0.077 0.000 0.988 133 E CA 1.076 57.364 56.400 -0.187 0.000 0.804 133 E CB -0.058 29.415 29.700 -0.378 0.000 0.745 133 E HN 0.445 nan 8.360 nan 0.000 0.458 134 F N 0.852 120.804 119.950 0.003 0.000 2.149 134 F HA -0.046 4.481 4.527 -0.000 0.000 0.294 134 F C 2.576 178.380 175.800 0.006 0.000 1.095 134 F CA 0.981 58.978 58.000 -0.005 0.000 1.276 134 F CB -1.176 37.809 39.000 -0.026 0.000 1.023 134 F HN 0.062 nan 8.300 nan 0.000 0.480 135 Q N 0.955 120.882 119.800 0.210 0.000 2.062 135 Q HA -0.241 4.099 4.340 -0.000 0.000 0.209 135 Q C 1.737 177.801 176.000 0.106 0.000 0.996 135 Q CA 2.371 58.266 55.803 0.153 0.000 0.859 135 Q CB -0.523 28.335 28.738 0.201 0.000 0.920 135 Q HN 0.242 nan 8.270 nan 0.000 0.415 136 D N -0.876 119.578 120.400 0.090 0.000 2.149 136 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 136 D C 1.882 178.217 176.300 0.059 0.000 0.990 136 D CA 1.355 55.389 54.000 0.056 0.000 0.839 136 D CB -0.228 40.594 40.800 0.037 0.000 0.948 136 D HN 0.286 nan 8.370 nan 0.000 0.460 137 R N 0.367 120.924 120.500 0.095 0.000 2.075 137 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 137 R C 2.112 178.444 176.300 0.053 0.000 1.126 137 R CA 0.836 56.990 56.100 0.090 0.000 0.963 137 R CB -0.308 30.086 30.300 0.157 0.000 0.858 137 R HN -0.020 nan 8.270 nan 0.000 0.435 138 V N 1.899 121.847 119.914 0.057 0.000 2.255 138 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 138 V C 1.779 177.878 176.094 0.008 0.000 1.051 138 V CA 2.167 64.480 62.300 0.020 0.000 1.018 138 V CB -0.674 31.164 31.823 0.024 0.000 0.641 138 V HN 0.450 nan 8.190 nan 0.000 0.445 139 N N 0.874 119.582 118.700 0.013 0.000 2.223 139 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 139 N C 2.078 177.587 175.510 -0.001 0.000 1.016 139 N CA 1.797 54.845 53.050 -0.003 0.000 0.863 139 N CB -0.509 37.971 38.487 -0.011 0.000 0.983 139 N HN 0.684 nan 8.380 nan 0.000 0.429 140 S N -0.225 115.480 115.700 0.008 0.000 2.447 140 S HA -0.025 4.445 4.470 -0.000 0.000 0.233 140 S C 1.975 176.575 174.600 0.000 0.000 1.006 140 S CA 0.677 58.880 58.200 0.005 0.000 0.957 140 S CB -0.398 62.809 63.200 0.012 0.000 0.773 140 S HN 0.059 nan 8.310 nan 0.000 0.507 141 V N 1.078 120.990 119.914 -0.003 0.000 2.725 141 V HA 0.011 4.131 4.120 -0.000 0.000 0.247 141 V C 2.555 178.651 176.094 0.002 0.000 1.058 141 V CA 0.896 63.192 62.300 -0.006 0.000 1.080 141 V CB -0.589 31.223 31.823 -0.019 0.000 0.713 141 V HN 0.413 nan 8.190 nan 0.000 0.465 142 V N 0.602 120.513 119.914 -0.005 0.000 2.332 142 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 142 V C 2.340 178.440 176.094 0.010 0.000 1.055 142 V CA 2.326 64.623 62.300 -0.005 0.000 1.038 142 V CB -0.630 31.183 31.823 -0.016 0.000 0.651 142 V HN 0.560 nan 8.190 nan 0.000 0.450 143 D N -0.838 119.566 120.400 0.007 0.000 2.097 143 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 143 D C 2.125 178.437 176.300 0.020 0.000 0.984 143 D CA 1.373 55.379 54.000 0.009 0.000 0.826 143 D CB -0.222 40.580 40.800 0.002 0.000 0.973 143 D HN 0.343 nan 8.370 nan 0.000 0.460 144 M N 0.525 120.136 119.600 0.019 0.000 2.080 144 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 144 M C 2.181 178.522 176.300 0.068 0.000 1.068 144 M CA 1.982 57.296 55.300 0.024 0.000 1.109 144 M CB -0.404 32.203 32.600 0.012 0.000 1.342 144 M HN 0.052 nan 8.290 nan 0.000 0.405 145 G N 0.160 109.021 108.800 0.102 0.000 2.469 145 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 145 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 145 G C 1.172 176.209 174.900 0.229 0.000 1.150 145 G CA 1.390 46.617 45.100 0.212 0.000 0.763 145 G HN 0.445 nan 8.290 nan 0.000 0.561 146 N N 0.482 119.246 118.700 0.107 0.000 2.354 146 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 146 N C 2.069 177.612 175.510 0.055 0.000 1.021 146 N CA 0.559 53.659 53.050 0.082 0.000 0.887 146 N CB -0.088 38.423 38.487 0.041 0.000 0.974 146 N HN 0.244 nan 8.380 nan 0.000 0.437 147 K N 0.852 121.272 120.400 0.033 0.000 2.211 147 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 147 K C 0.821 177.402 176.600 -0.032 0.000 1.050 147 K CA 0.709 56.996 56.287 -0.001 0.000 0.945 147 K CB 0.042 32.535 32.500 -0.011 0.000 0.732 147 K HN 0.278 nan 8.250 nan 0.000 0.451 148 N N -0.663 118.012 118.700 -0.042 0.000 2.348 148 N HA 0.029 4.769 4.740 -0.000 0.000 0.183 148 N C -0.185 175.092 175.510 -0.389 0.000 1.094 148 N CA 0.235 53.154 53.050 -0.217 0.000 0.885 148 N CB 0.518 38.826 38.487 -0.298 0.000 1.065 148 N HN 0.094 nan 8.380 nan 0.000 0.472 149 Y N 0.977 121.271 120.300 -0.009 0.000 2.487 149 Y HA 0.322 4.872 4.550 -0.000 0.000 0.337 149 Y C 1.456 177.352 175.900 -0.006 0.000 1.076 149 Y CA -0.758 57.338 58.100 -0.006 0.000 1.115 149 Y CB 1.777 40.234 38.460 -0.005 0.000 1.235 149 Y HN -0.337 nan 8.280 nan 0.000 0.468 150 K N 0.181 120.672 120.400 0.151 0.000 2.057 150 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 150 K C 0.144 176.795 176.600 0.084 0.000 1.049 150 K CA 1.215 57.553 56.287 0.085 0.000 0.931 150 K CB -0.131 32.407 32.500 0.063 0.000 0.714 150 K HN 0.595 nan 8.250 nan 0.000 0.440 151 T N 2.832 117.447 114.554 0.101 0.000 2.814 151 T HA 0.106 4.456 4.350 -0.000 0.000 0.297 151 T C -0.046 174.683 174.700 0.049 0.000 0.956 151 T CA -0.202 61.929 62.100 0.052 0.000 1.123 151 T CB 0.823 69.702 68.868 0.018 0.000 0.902 151 T HN -0.049 nan 8.240 nan 0.000 0.528 152 K N 2.919 123.335 120.400 0.026 0.000 2.098 152 K HA 0.693 5.013 4.320 -0.000 0.000 0.258 152 K C -0.567 176.031 176.600 -0.005 0.000 0.973 152 K CA -0.779 55.519 56.287 0.019 0.000 0.898 152 K CB 1.414 33.924 32.500 0.016 0.000 1.057 152 K HN 0.329 nan 8.250 nan 0.000 0.447 153 L N -0.478 120.738 121.223 -0.012 0.000 2.327 153 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 153 L C -0.069 176.787 176.870 -0.022 0.000 1.024 153 L CA -0.878 53.947 54.840 -0.024 0.000 0.825 153 L CB 0.941 42.976 42.059 -0.039 0.000 1.386 153 L HN 0.366 nan 8.230 nan 0.000 0.417 154 D N 0.592 120.975 120.400 -0.027 0.000 2.283 154 D HA 0.388 5.028 4.640 -0.000 0.000 0.248 154 D C -0.454 175.819 176.300 -0.045 0.000 1.072 154 D CA -0.432 53.548 54.000 -0.033 0.000 0.929 154 D CB 1.896 42.675 40.800 -0.034 0.000 1.182 154 D HN 0.201 nan 8.370 nan 0.000 0.433 155 L N 2.583 123.771 121.223 -0.057 0.000 2.485 155 L HA -0.034 4.306 4.340 -0.000 0.000 0.275 155 L C 1.208 178.004 176.870 -0.123 0.000 1.207 155 L CA 0.372 55.163 54.840 -0.081 0.000 0.855 155 L CB -0.265 41.741 42.059 -0.087 0.000 1.114 155 L HN 0.398 nan 8.230 nan 0.000 0.485 156 N N 0.273 118.900 118.700 -0.122 0.000 2.753 156 N HA -0.251 4.489 4.740 -0.000 0.000 0.251 156 N C 1.211 176.689 175.510 -0.053 0.000 1.097 156 N CA 1.041 54.014 53.050 -0.128 0.000 0.786 156 N CB -1.169 37.082 38.487 -0.392 0.000 1.137 156 N HN 0.814 nan 8.380 nan 0.000 0.566 157 S N -1.438 114.237 115.700 -0.041 0.000 2.481 157 S HA 0.094 4.564 4.470 -0.000 0.000 0.231 157 S C 0.725 175.320 174.600 -0.008 0.000 0.996 157 S CA 0.513 58.700 58.200 -0.021 0.000 0.942 157 S CB 0.490 63.673 63.200 -0.028 0.000 0.768 157 S HN 0.139 nan 8.310 nan 0.000 0.520 158 V N 2.996 122.906 119.914 -0.006 0.000 2.407 158 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 158 V C -0.233 175.878 176.094 0.027 0.000 1.018 158 V CA -0.850 61.452 62.300 0.003 0.000 0.842 158 V CB 1.549 33.363 31.823 -0.015 0.000 0.996 158 V HN 0.279 nan 8.190 nan 0.000 0.426 159 R N 3.723 124.250 120.500 0.046 0.000 2.674 159 R HA 0.606 4.946 4.340 -0.000 0.000 0.266 159 R C -0.743 175.596 176.300 0.064 0.000 1.016 159 R CA -0.841 55.310 56.100 0.085 0.000 1.062 159 R CB 1.965 32.326 30.300 0.102 0.000 1.142 159 R HN 0.444 nan 8.270 nan 0.000 0.517 160 I N 3.049 123.667 120.570 0.079 0.000 2.353 160 I HA 0.316 4.486 4.170 -0.000 0.000 0.293 160 I C 0.531 176.651 176.117 0.005 0.000 0.992 160 I CA -0.465 60.854 61.300 0.031 0.000 1.268 160 I CB 0.907 38.920 38.000 0.022 0.000 1.387 160 I HN 0.367 nan 8.210 nan 0.000 0.478 161 I N 8.452 129.016 120.570 -0.010 0.000 2.307 161 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 161 I C -2.170 173.924 176.117 -0.038 0.000 1.021 161 I CA -1.800 59.486 61.300 -0.024 0.000 1.224 161 I CB 1.751 39.739 38.000 -0.019 0.000 1.376 161 I HN 0.242 nan 8.210 nan 0.000 0.470 162 P HA 0.131 nan 4.420 nan 0.000 0.286 162 P C -0.861 176.411 177.300 -0.045 0.000 1.269 162 P CA -0.499 62.568 63.100 -0.055 0.000 0.787 162 P CB 1.505 33.148 31.700 -0.094 0.000 0.920 163 L N 5.811 127.017 121.223 -0.030 0.000 2.264 163 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 163 L C -0.906 175.951 176.870 -0.022 0.000 1.044 163 L CA -0.393 54.431 54.840 -0.027 0.000 0.807 163 L CB 1.009 43.058 42.059 -0.017 0.000 1.192 163 L HN 0.076 nan 8.230 nan 0.000 0.425 164 V N 6.477 126.374 119.914 -0.029 0.000 2.384 164 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 164 V C 0.484 176.568 176.094 -0.017 0.000 1.020 164 V CA -0.357 61.927 62.300 -0.026 0.000 0.850 164 V CB 1.177 32.975 31.823 -0.042 0.000 0.987 164 V HN 0.902 nan 8.190 nan 0.000 0.436 165 E N 1.843 122.039 120.200 -0.005 0.000 2.391 165 E HA 0.077 4.427 4.350 -0.000 0.000 0.206 165 E C 0.099 176.708 176.600 0.014 0.000 0.851 165 E CA -0.070 56.332 56.400 0.004 0.000 1.059 165 E CB 0.704 30.411 29.700 0.012 0.000 1.065 165 E HN 0.853 nan 8.360 nan 0.000 0.512 166 D N 0.838 121.249 120.400 0.018 0.000 2.229 166 D HA 0.057 4.697 4.640 -0.000 0.000 0.249 166 D C 1.284 177.595 176.300 0.018 0.000 1.027 166 D CA -0.501 53.524 54.000 0.042 0.000 0.923 166 D CB 2.462 43.293 40.800 0.051 0.000 1.174 166 D HN -0.271 nan 8.370 nan 0.000 0.443 167 V N 2.698 122.627 119.914 0.026 0.000 2.252 167 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 167 V C -0.749 175.298 176.094 -0.079 0.000 1.056 167 V CA 2.049 64.312 62.300 -0.061 0.000 1.022 167 V CB -1.522 30.175 31.823 -0.210 0.000 0.641 167 V HN 0.603 nan 8.190 nan 0.000 0.445 168 P HA -0.267 nan 4.420 nan 0.000 0.213 168 P C 1.783 179.054 177.300 -0.048 0.000 1.176 168 P CA 2.530 65.595 63.100 -0.059 0.000 0.919 168 P CB -0.339 31.338 31.700 -0.038 0.000 0.791 169 A N -0.661 122.138 122.820 -0.036 0.000 1.896 169 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 169 A C 2.185 179.740 177.584 -0.047 0.000 1.206 169 A CA 2.397 54.409 52.037 -0.041 0.000 0.647 169 A CB -1.927 17.053 19.000 -0.033 0.000 0.828 169 A HN 0.177 nan 8.150 nan 0.000 0.455 170 L N -1.196 120.002 121.223 -0.043 0.000 2.456 170 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 170 L C 2.718 179.563 176.870 -0.042 0.000 1.148 170 L CA 0.635 55.451 54.840 -0.041 0.000 0.825 170 L CB -0.579 41.459 42.059 -0.035 0.000 0.937 170 L HN 0.467 nan 8.230 nan 0.000 0.450 171 A N 1.616 124.405 122.820 -0.051 0.000 1.865 171 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 171 A C 1.464 179.025 177.584 -0.039 0.000 1.315 171 A CA 0.896 52.903 52.037 -0.049 0.000 0.605 171 A CB -0.852 18.111 19.000 -0.061 0.000 0.984 171 A HN 0.554 nan 8.150 nan 0.000 0.470 172 N N 0.296 118.971 118.700 -0.041 0.000 3.117 172 N HA 0.128 4.868 4.740 -0.000 0.000 0.323 172 N C 0.567 176.043 175.510 -0.056 0.000 1.245 172 N CA 0.307 53.334 53.050 -0.039 0.000 1.191 172 N CB -0.213 38.253 38.487 -0.035 0.000 1.451 172 N HN 0.467 nan 8.380 nan 0.000 0.555 173 I N 0.825 121.361 120.570 -0.057 0.000 2.141 173 I HA -0.212 3.958 4.170 -0.000 0.000 0.236 173 I C 2.066 178.091 176.117 -0.153 0.000 1.071 173 I CA 1.499 62.745 61.300 -0.090 0.000 1.345 173 I CB -0.442 37.518 38.000 -0.066 0.000 1.066 173 I HN 0.495 nan 8.210 nan 0.000 0.406 174 D N 0.956 121.278 120.400 -0.130 0.000 2.271 174 D HA -0.271 4.369 4.640 -0.000 0.000 0.207 174 D C 1.818 177.944 176.300 -0.289 0.000 0.983 174 D CA 1.238 55.089 54.000 -0.249 0.000 0.878 174 D CB -0.387 40.434 40.800 0.035 0.000 0.920 174 D HN 0.450 nan 8.370 nan 0.000 0.479 175 R N 0.434 120.848 120.500 -0.143 0.000 2.081 175 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 175 R C 2.734 178.948 176.300 -0.144 0.000 1.131 175 R CA 0.842 56.882 56.100 -0.100 0.000 0.960 175 R CB -0.742 29.526 30.300 -0.053 0.000 0.856 175 R HN 0.366 nan 8.270 nan 0.000 0.436 176 I N 1.233 121.700 120.570 -0.173 0.000 2.202 176 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 176 I C 2.438 178.418 176.117 -0.227 0.000 1.091 176 I CA 1.242 62.444 61.300 -0.164 0.000 1.368 176 I CB -0.383 37.528 38.000 -0.148 0.000 1.058 176 I HN 0.007 nan 8.210 nan 0.000 0.410 177 L N 0.264 121.231 121.223 -0.426 0.000 1.988 177 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 177 L C 2.316 178.829 176.870 -0.594 0.000 1.071 177 L CA 1.669 56.123 54.840 -0.645 0.000 0.744 177 L CB -0.785 40.539 42.059 -1.225 0.000 0.893 177 L HN 0.205 nan 8.230 nan 0.000 0.433 178 D N -0.030 119.953 120.400 -0.695 0.000 2.149 178 D HA -0.284 4.356 4.640 -0.000 0.000 0.194 178 D C 2.094 178.400 176.300 0.010 0.000 1.001 178 D CA 1.562 55.483 54.000 -0.131 0.000 0.849 178 D CB 0.114 40.966 40.800 0.087 0.000 0.939 178 D HN 0.362 nan 8.370 nan 0.000 0.449 179 E N -1.346 118.829 120.200 -0.042 0.000 2.051 179 E HA -0.295 4.055 4.350 -0.000 0.000 0.192 179 E C 2.056 178.678 176.600 0.037 0.000 0.991 179 E CA 1.197 57.599 56.400 0.003 0.000 0.799 179 E CB -0.238 29.451 29.700 -0.019 0.000 0.748 179 E HN 0.460 nan 8.360 nan 0.000 0.449 180 H N -0.536 118.493 119.070 -0.068 0.000 2.321 180 H HA -0.217 4.339 4.556 -0.000 0.000 0.300 180 H C 1.895 177.215 175.328 -0.014 0.000 1.087 180 H CA 2.227 58.243 56.048 -0.053 0.000 1.319 180 H CB -0.767 28.950 29.762 -0.075 0.000 1.379 180 H HN 0.364 nan 8.280 nan 0.000 0.501 181 Y N 1.385 121.543 120.300 -0.237 0.000 2.114 181 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 181 Y C 2.309 178.089 175.900 -0.201 0.000 1.165 181 Y CA 2.254 60.218 58.100 -0.227 0.000 1.148 181 Y CB -0.077 38.397 38.460 0.024 0.000 0.972 181 Y HN 0.284 nan 8.280 nan 0.000 0.504 182 E N 0.320 120.498 120.200 -0.036 0.000 2.047 182 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 182 E C 2.371 178.883 176.600 -0.146 0.000 0.987 182 E CA 1.593 57.944 56.400 -0.083 0.000 0.799 182 E CB -0.418 29.300 29.700 0.031 0.000 0.752 182 E HN 0.619 nan 8.360 nan 0.000 0.449 183 I N 1.470 121.971 120.570 -0.115 0.000 2.208 183 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 183 I C 2.318 178.354 176.117 -0.135 0.000 1.097 183 I CA 1.096 62.342 61.300 -0.090 0.000 1.363 183 I CB -0.160 37.816 38.000 -0.040 0.000 1.051 183 I HN -0.009 nan 8.210 nan 0.000 0.413 184 E N 0.725 120.774 120.200 -0.253 0.000 2.107 184 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 184 E C 2.057 178.505 176.600 -0.255 0.000 0.982 184 E CA 0.869 57.113 56.400 -0.260 0.000 0.809 184 E CB -0.211 29.196 29.700 -0.488 0.000 0.756 184 E HN 0.431 nan 8.360 nan 0.000 0.459 185 K N 1.111 121.276 120.400 -0.391 0.000 2.026 185 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 185 K C 2.264 178.767 176.600 -0.161 0.000 1.048 185 K CA 1.644 57.731 56.287 -0.334 0.000 0.929 185 K CB -0.067 32.164 32.500 -0.448 0.000 0.713 185 K HN 0.090 nan 8.250 nan 0.000 0.439 186 S N 0.425 116.049 115.700 -0.127 0.000 2.442 186 S HA -0.101 4.369 4.470 -0.000 0.000 0.236 186 S C 1.588 176.160 174.600 -0.048 0.000 1.007 186 S CA 0.993 59.153 58.200 -0.068 0.000 0.965 186 S CB -0.113 63.057 63.200 -0.050 0.000 0.773 186 S HN 0.269 nan 8.310 nan 0.000 0.504 187 K N 0.539 120.910 120.400 -0.049 0.000 2.487 187 K HA 0.196 4.516 4.320 -0.000 0.000 0.192 187 K C 1.298 177.894 176.600 -0.006 0.000 1.027 187 K CA 0.422 56.697 56.287 -0.020 0.000 1.054 187 K CB -0.283 32.215 32.500 -0.003 0.000 0.824 187 K HN 0.627 nan 8.250 nan 0.000 0.510 188 G N 1.140 109.931 108.800 -0.016 0.000 2.175 188 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 188 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 188 G C -0.170 174.753 174.900 0.038 0.000 0.982 188 G CA 0.096 45.194 45.100 -0.003 0.000 0.641 188 G HN 0.626 nan 8.290 nan 0.000 0.527 189 H N 0.274 119.282 119.070 -0.102 0.000 2.741 189 H HA 0.584 5.140 4.556 -0.000 0.000 0.282 189 H C -0.071 175.158 175.328 -0.166 0.000 1.122 189 H CA -0.920 55.064 56.048 -0.107 0.000 1.293 189 H CB 0.077 29.780 29.762 -0.098 0.000 1.415 189 H HN 0.213 nan 8.280 nan 0.000 0.472 190 I N 7.313 127.834 120.570 -0.083 0.000 2.291 190 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 190 I C 0.106 176.117 176.117 -0.176 0.000 1.050 190 I CA -0.444 60.731 61.300 -0.208 0.000 1.245 190 I CB 0.948 38.895 38.000 -0.090 0.000 1.405 190 I HN 0.457 nan 8.210 nan 0.000 0.478 191 L N 7.538 128.598 121.223 -0.271 0.000 2.490 191 L HA 0.089 4.429 4.340 -0.000 0.000 0.274 191 L C 1.160 178.094 176.870 0.106 0.000 1.201 191 L CA 0.380 55.176 54.840 -0.072 0.000 0.869 191 L CB 0.329 42.419 42.059 0.051 0.000 1.123 191 L HN 0.681 nan 8.230 nan 0.000 0.484 192 K N 1.285 121.732 120.400 0.079 0.000 2.464 192 K HA 0.151 4.471 4.320 -0.000 0.000 0.206 192 K C -0.548 176.098 176.600 0.075 0.000 1.186 192 K CA 0.068 56.402 56.287 0.079 0.000 0.990 192 K CB 0.902 33.437 32.500 0.058 0.000 1.003 192 K HN 0.727 nan 8.250 nan 0.000 0.562 193 D N 0.745 121.196 120.400 0.085 0.000 2.947 193 D HA 0.251 4.891 4.640 -0.000 0.000 0.224 193 D C -1.297 175.062 176.300 0.099 0.000 1.230 193 D CA -0.712 53.336 54.000 0.080 0.000 0.871 193 D CB 2.079 42.915 40.800 0.061 0.000 1.671 193 D HN -0.207 nan 8.370 nan 0.000 0.507 194 L N 1.081 122.362 121.223 0.096 0.000 2.439 194 L HA 0.457 4.797 4.340 -0.000 0.000 0.270 194 L C -1.001 175.891 176.870 0.036 0.000 0.972 194 L CA -0.497 54.402 54.840 0.097 0.000 0.836 194 L CB 1.760 43.914 42.059 0.159 0.000 1.255 194 L HN 0.584 nan 8.230 nan 0.000 0.404 195 R N 5.577 126.091 120.500 0.024 0.000 2.393 195 R HA 0.868 5.208 4.340 -0.000 0.000 0.310 195 R C -0.922 175.363 176.300 -0.026 0.000 0.968 195 R CA -0.507 55.586 56.100 -0.011 0.000 0.867 195 R CB 1.081 31.379 30.300 -0.003 0.000 1.124 195 R HN 0.787 nan 8.270 nan 0.000 0.450 196 I N 0.470 121.008 120.570 -0.053 0.000 3.174 196 I HA 0.619 4.789 4.170 -0.000 0.000 0.313 196 I C -1.412 174.663 176.117 -0.069 0.000 1.155 196 I CA -1.418 59.844 61.300 -0.064 0.000 0.977 196 I CB 2.542 40.494 38.000 -0.080 0.000 1.248 196 I HN 0.692 nan 8.210 nan 0.000 0.453 197 M N 3.746 123.307 119.600 -0.065 0.000 2.386 197 M HA 0.654 5.134 4.480 -0.000 0.000 0.293 197 M C -2.284 173.980 176.300 -0.060 0.000 1.120 197 M CA -0.389 54.871 55.300 -0.066 0.000 0.909 197 M CB 2.313 34.881 32.600 -0.052 0.000 1.661 197 M HN 0.661 nan 8.290 nan 0.000 0.452 198 I N 3.954 124.483 120.570 -0.069 0.000 2.418 198 I HA 0.563 4.733 4.170 -0.000 0.000 0.287 198 I C -0.040 176.040 176.117 -0.061 0.000 1.008 198 I CA -0.809 60.456 61.300 -0.058 0.000 1.104 198 I CB 2.062 40.031 38.000 -0.052 0.000 1.264 198 I HN 0.894 nan 8.210 nan 0.000 0.438 199 A N 5.912 128.708 122.820 -0.040 0.000 2.454 199 A HA 0.294 4.614 4.320 -0.000 0.000 0.260 199 A C 1.048 178.599 177.584 -0.054 0.000 1.106 199 A CA -0.097 51.919 52.037 -0.035 0.000 0.780 199 A CB 0.375 19.369 19.000 -0.010 0.000 1.044 199 A HN 0.738 nan 8.150 nan 0.000 0.498 200 R N 1.535 121.989 120.500 -0.078 0.000 2.237 200 R HA 0.036 4.376 4.340 -0.000 0.000 0.195 200 R C 1.642 177.886 176.300 -0.094 0.000 0.956 200 R CA 1.555 57.598 56.100 -0.095 0.000 1.029 200 R CB -0.414 29.801 30.300 -0.141 0.000 0.972 200 R HN 0.785 nan 8.270 nan 0.000 0.493 201 S N 0.465 116.128 115.700 -0.062 0.000 2.327 201 S HA -0.047 4.423 4.470 -0.000 0.000 0.213 201 S C 1.406 175.981 174.600 -0.041 0.000 1.032 201 S CA 1.008 59.187 58.200 -0.035 0.000 0.960 201 S CB -0.364 62.849 63.200 0.022 0.000 0.900 201 S HN 0.183 nan 8.310 nan 0.000 0.469 202 D N 1.594 121.986 120.400 -0.014 0.000 2.149 202 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 202 D C 2.180 178.449 176.300 -0.052 0.000 0.990 202 D CA 1.787 55.777 54.000 -0.016 0.000 0.839 202 D CB -0.295 40.508 40.800 0.004 0.000 0.948 202 D HN 0.564 nan 8.370 nan 0.000 0.460 203 T N -1.011 113.513 114.554 -0.050 0.000 2.674 203 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 203 T C 2.140 176.781 174.700 -0.099 0.000 1.039 203 T CA 1.401 63.487 62.100 -0.023 0.000 1.150 203 T CB -0.765 68.086 68.868 -0.028 0.000 0.864 203 T HN 0.119 nan 8.240 nan 0.000 0.427 204 A N 1.750 124.424 122.820 -0.243 0.000 1.908 204 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 204 A C 2.459 179.787 177.584 -0.426 0.000 1.181 204 A CA 2.053 53.798 52.037 -0.486 0.000 0.627 204 A CB -0.914 17.549 19.000 -0.895 0.000 0.818 204 A HN 0.570 nan 8.150 nan 0.000 0.445 205 M N 0.031 119.514 119.600 -0.195 0.000 2.065 205 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 205 M C 2.141 178.358 176.300 -0.137 0.000 1.069 205 M CA 2.382 57.730 55.300 0.081 0.000 1.110 205 M CB -0.195 32.379 32.600 -0.043 0.000 1.328 205 M HN 0.408 nan 8.290 nan 0.000 0.405 206 S N -0.772 114.726 115.700 -0.336 0.000 2.382 206 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 206 S C 0.932 174.994 174.600 -0.897 0.000 1.027 206 S CA 1.192 58.955 58.200 -0.729 0.000 0.991 206 S CB -0.271 62.423 63.200 -0.844 0.000 0.823 206 S HN 0.645 nan 8.310 nan 0.000 0.469 207 Y N 0.379 120.501 120.300 -0.296 0.000 2.610 207 Y HA 0.467 5.016 4.550 -0.000 0.000 0.254 207 Y C 1.047 176.546 175.900 -0.668 0.000 1.110 207 Y CA -0.070 57.850 58.100 -0.300 0.000 1.238 207 Y CB 0.686 39.049 38.460 -0.162 0.000 1.322 207 Y HN 0.324 nan 8.280 nan 0.000 0.547 208 G N 0.082 108.112 108.800 -1.283 0.000 2.515 208 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 208 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 208 G C -0.164 174.541 174.900 -0.326 0.000 1.274 208 G CA -0.377 44.152 45.100 -0.952 0.000 0.874 208 G HN 0.145 nan 8.290 nan 0.000 0.631 209 L N 0.847 122.055 121.223 -0.024 0.000 1.973 209 L HA 0.241 4.581 4.340 -0.000 0.000 0.208 209 L C 2.805 179.694 176.870 0.032 0.000 1.073 209 L CA 2.447 57.290 54.840 0.005 0.000 0.746 209 L CB -0.863 41.356 42.059 0.267 0.000 0.891 209 L HN 0.714 nan 8.230 nan 0.000 0.433 210 I N -0.132 120.516 120.570 0.130 0.000 2.208 210 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 210 I C 2.528 178.672 176.117 0.045 0.000 1.097 210 I CA 1.518 62.916 61.300 0.163 0.000 1.363 210 I CB -0.601 37.501 38.000 0.171 0.000 1.051 210 I HN 0.445 nan 8.210 nan 0.000 0.413 211 S N 0.835 116.549 115.700 0.022 0.000 2.383 211 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 211 S C 2.185 176.757 174.600 -0.045 0.000 1.030 211 S CA 1.097 59.295 58.200 -0.003 0.000 1.002 211 S CB -1.421 61.785 63.200 0.011 0.000 0.829 211 S HN 0.537 nan 8.310 nan 0.000 0.467 212 G N 1.670 110.424 108.800 -0.076 0.000 2.421 212 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 212 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 212 G C 1.445 176.288 174.900 -0.094 0.000 1.171 212 G CA 0.991 46.032 45.100 -0.099 0.000 0.775 212 G HN 0.469 nan 8.290 nan 0.000 0.543 213 V N 1.134 120.969 119.914 -0.131 0.000 2.358 213 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 213 V C 2.925 178.907 176.094 -0.186 0.000 1.047 213 V CA 1.370 63.546 62.300 -0.206 0.000 1.035 213 V CB -0.494 30.955 31.823 -0.624 0.000 0.658 213 V HN 0.327 nan 8.190 nan 0.000 0.452 214 L N 0.888 122.012 121.223 -0.164 0.000 2.017 214 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 214 L C 2.744 179.551 176.870 -0.106 0.000 1.073 214 L CA 1.977 56.738 54.840 -0.132 0.000 0.745 214 L CB -0.950 41.068 42.059 -0.068 0.000 0.894 214 L HN 0.534 nan 8.230 nan 0.000 0.432 215 S N -0.782 114.869 115.700 -0.081 0.000 2.399 215 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 215 S C 1.923 176.499 174.600 -0.040 0.000 1.022 215 S CA 1.090 59.250 58.200 -0.068 0.000 0.983 215 S CB -0.795 62.363 63.200 -0.070 0.000 0.803 215 S HN 0.185 nan 8.310 nan 0.000 0.480 216 V N 1.859 121.759 119.914 -0.024 0.000 2.427 216 V HA -0.035 4.085 4.120 -0.000 0.000 0.248 216 V C 2.409 178.538 176.094 0.058 0.000 1.051 216 V CA 1.459 63.773 62.300 0.024 0.000 1.048 216 V CB -0.677 31.185 31.823 0.065 0.000 0.666 216 V HN 0.461 nan 8.190 nan 0.000 0.456 217 L N -1.200 120.038 121.223 0.025 0.000 2.217 217 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 217 L C 2.359 179.272 176.870 0.071 0.000 1.107 217 L CA 1.355 56.232 54.840 0.061 0.000 0.783 217 L CB -0.267 41.774 42.059 -0.030 0.000 0.919 217 L HN 0.338 nan 8.230 nan 0.000 0.442 218 M N -1.318 118.268 119.600 -0.023 0.000 2.388 218 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 218 M C 2.426 178.754 176.300 0.047 0.000 1.088 218 M CA 1.171 56.462 55.300 -0.015 0.000 1.134 218 M CB -0.278 32.276 32.600 -0.077 0.000 1.384 218 M HN 0.243 nan 8.290 nan 0.000 0.447 219 A N 0.260 123.102 122.820 0.035 0.000 1.873 219 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 219 A C 2.217 179.848 177.584 0.078 0.000 1.186 219 A CA 1.448 53.506 52.037 0.036 0.000 0.616 219 A CB -0.920 18.085 19.000 0.008 0.000 0.823 219 A HN 0.259 nan 8.150 nan 0.000 0.442 220 V N 0.525 120.513 119.914 0.124 0.000 2.343 220 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 220 V C 2.341 178.613 176.094 0.296 0.000 1.051 220 V CA 2.492 64.908 62.300 0.194 0.000 1.036 220 V CB -0.822 31.142 31.823 0.236 0.000 0.654 220 V HN 0.648 nan 8.190 nan 0.000 0.451 221 D N 0.523 121.084 120.400 0.268 0.000 2.075 221 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 221 D C 2.256 178.704 176.300 0.246 0.000 0.985 221 D CA 1.654 55.827 54.000 0.288 0.000 0.834 221 D CB -0.698 40.306 40.800 0.339 0.000 0.987 221 D HN 0.292 nan 8.370 nan 0.000 0.452 222 G N 0.307 109.213 108.800 0.177 0.000 2.505 222 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 222 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 222 G C 1.676 176.687 174.900 0.186 0.000 1.145 222 G CA 1.759 46.949 45.100 0.150 0.000 0.761 222 G HN 0.470 nan 8.290 nan 0.000 0.571 223 A N 0.074 122.983 122.820 0.148 0.000 1.845 223 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 223 A C 2.225 179.928 177.584 0.199 0.000 1.195 223 A CA 1.706 53.820 52.037 0.128 0.000 0.616 223 A CB -0.800 18.193 19.000 -0.010 0.000 0.832 223 A HN 0.369 nan 8.150 nan 0.000 0.443 224 Y N 0.310 120.698 120.300 0.146 0.000 2.081 224 Y HA -0.233 4.317 4.550 -0.000 0.000 0.280 224 Y C 2.543 178.503 175.900 0.100 0.000 1.163 224 Y CA 2.162 60.329 58.100 0.111 0.000 1.135 224 Y CB -0.172 38.331 38.460 0.071 0.000 0.970 224 Y HN 0.225 nan 8.280 nan 0.000 0.498 225 K N -1.322 119.245 120.400 0.278 0.000 2.103 225 K HA -0.264 4.056 4.320 -0.000 0.000 0.207 225 K C 2.002 178.690 176.600 0.147 0.000 1.048 225 K CA 1.701 58.090 56.287 0.170 0.000 0.930 225 K CB -0.665 31.923 32.500 0.147 0.000 0.716 225 K HN 0.495 nan 8.250 nan 0.000 0.444 226 W N 1.358 122.679 121.300 0.036 0.000 2.388 226 W HA -0.104 4.556 4.660 -0.000 0.000 0.294 226 W C 1.863 178.380 176.519 -0.003 0.000 1.212 226 W CA 1.716 59.069 57.345 0.013 0.000 1.271 226 W CB -0.599 28.866 29.460 0.009 0.000 1.126 226 W HN 0.070 nan 8.180 nan 0.000 0.535 227 G N 0.880 109.713 108.800 0.054 0.000 2.503 227 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.221 227 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.221 227 G C 1.355 176.060 174.900 -0.325 0.000 1.131 227 G CA 1.373 46.370 45.100 -0.173 0.000 0.756 227 G HN 0.370 nan 8.290 nan 0.000 0.572 228 E N 0.975 121.053 120.200 -0.203 0.000 2.023 228 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 228 E C 2.425 178.818 176.600 -0.346 0.000 1.003 228 E CA 1.210 57.489 56.400 -0.202 0.000 0.809 228 E CB -0.424 29.204 29.700 -0.119 0.000 0.755 228 E HN 0.422 nan 8.360 nan 0.000 0.449 229 K N -0.076 120.046 120.400 -0.464 0.000 2.097 229 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 229 K C 1.838 177.940 176.600 -0.831 0.000 1.052 229 K CA 1.711 57.623 56.287 -0.626 0.000 0.932 229 K CB -0.204 31.887 32.500 -0.682 0.000 0.716 229 K HN 0.324 nan 8.250 nan 0.000 0.455 230 H N -1.796 116.796 119.070 -0.797 0.000 2.592 230 H HA 0.169 4.725 4.556 -0.000 0.000 0.279 230 H C 0.649 175.697 175.328 -0.466 0.000 1.089 230 H CA 0.563 56.191 56.048 -0.699 0.000 1.150 230 H CB 1.173 30.236 29.762 -1.166 0.000 1.575 230 H HN 0.469 nan 8.280 nan 0.000 0.547 231 G N 1.649 110.266 108.800 -0.305 0.000 2.221 231 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 231 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 231 G C -0.009 174.830 174.900 -0.103 0.000 1.041 231 G CA 0.391 45.396 45.100 -0.159 0.000 0.807 231 G HN 0.213 nan 8.290 nan 0.000 0.502 232 V N 1.413 121.232 119.914 -0.159 0.000 2.398 232 V HA 0.623 4.743 4.120 -0.000 0.000 0.286 232 V C 0.929 177.017 176.094 -0.011 0.000 1.026 232 V CA 0.013 62.288 62.300 -0.042 0.000 0.868 232 V CB 1.726 33.553 31.823 0.007 0.000 0.982 232 V HN 0.660 nan 8.190 nan 0.000 0.443 233 T N 4.285 118.855 114.554 0.027 0.000 2.737 233 T HA 0.490 4.840 4.350 -0.000 0.000 0.296 233 T C -0.251 174.466 174.700 0.027 0.000 0.922 233 T CA -0.448 61.674 62.100 0.037 0.000 1.079 233 T CB 0.245 69.139 68.868 0.045 0.000 0.892 233 T HN 0.278 nan 8.240 nan 0.000 0.514 234 I N 3.191 123.746 120.570 -0.026 0.000 2.331 234 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 234 I C 0.457 176.438 176.117 -0.227 0.000 0.998 234 I CA -0.266 60.942 61.300 -0.155 0.000 1.267 234 I CB 1.362 39.166 38.000 -0.327 0.000 1.386 234 I HN 0.699 nan 8.210 nan 0.000 0.476 235 S N 8.701 124.320 115.700 -0.136 0.000 2.733 235 S HA 0.595 5.065 4.470 -0.000 0.000 0.307 235 S C -2.617 171.925 174.600 -0.097 0.000 1.127 235 S CA -1.205 56.944 58.200 -0.085 0.000 1.097 235 S CB 1.252 64.443 63.200 -0.015 0.000 1.003 235 S HN 0.311 nan 8.310 nan 0.000 0.477 236 P HA 0.621 nan 4.420 nan 0.000 0.290 236 P C -1.115 176.110 177.300 -0.126 0.000 1.283 236 P CA -0.700 62.335 63.100 -0.108 0.000 0.869 236 P CB 1.034 32.682 31.700 -0.087 0.000 1.100 237 I N 1.601 122.088 120.570 -0.138 0.000 2.498 237 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 237 I C -0.512 175.479 176.117 -0.211 0.000 1.032 237 I CA -1.028 60.161 61.300 -0.185 0.000 1.073 237 I CB 2.023 39.952 38.000 -0.118 0.000 1.251 237 I HN 0.124 nan 8.210 nan 0.000 0.426 238 L N 5.227 126.254 121.223 -0.326 0.000 2.272 238 L HA 0.643 4.983 4.340 -0.000 0.000 0.289 238 L C 0.454 177.194 176.870 -0.217 0.000 1.032 238 L CA 0.106 54.774 54.840 -0.287 0.000 0.810 238 L CB 1.400 43.220 42.059 -0.398 0.000 1.205 238 L HN 0.682 nan 8.230 nan 0.000 0.422 239 G N 5.084 113.793 108.800 -0.152 0.000 2.770 239 G HA2 0.413 4.373 3.960 -0.000 0.000 0.307 239 G HA3 0.413 4.373 3.960 -0.000 0.000 0.307 239 G C -0.305 174.497 174.900 -0.164 0.000 0.863 239 G CA -0.202 44.828 45.100 -0.117 0.000 1.595 239 G HN 0.848 nan 8.290 nan 0.000 0.496 240 C N 1.877 121.049 119.300 -0.213 0.000 2.369 240 C HA 0.913 5.373 4.460 -0.000 0.000 0.322 240 C C 0.986 175.867 174.990 -0.181 0.000 1.258 240 C CA -0.806 58.097 59.018 -0.190 0.000 1.487 240 C CB 1.003 28.633 27.740 -0.183 0.000 2.165 240 C HN 0.668 nan 8.230 nan 0.000 0.483 241 G N 2.054 110.782 108.800 -0.119 0.000 2.563 241 G HA2 0.468 4.428 3.960 -0.000 0.000 0.283 241 G HA3 0.468 4.428 3.960 -0.000 0.000 0.283 241 G C 0.574 175.478 174.900 0.006 0.000 1.309 241 G CA -0.330 44.720 45.100 -0.083 0.000 1.022 241 G HN 0.824 nan 8.290 nan 0.000 0.501 242 S N -1.057 114.631 115.700 -0.021 0.000 2.470 242 S HA 0.160 4.630 4.470 -0.000 0.000 0.222 242 S C 1.182 175.759 174.600 -0.038 0.000 1.024 242 S CA -0.230 57.948 58.200 -0.038 0.000 0.931 242 S CB -0.204 62.886 63.200 -0.183 0.000 0.791 242 S HN 0.274 nan 8.310 nan 0.000 0.513 243 L N 2.177 123.363 121.223 -0.063 0.000 2.452 243 L HA 0.149 4.489 4.340 -0.000 0.000 0.267 243 L C -1.625 175.190 176.870 -0.092 0.000 1.188 243 L CA -1.662 53.085 54.840 -0.154 0.000 0.821 243 L CB 0.300 42.316 42.059 -0.072 0.000 1.102 243 L HN -0.020 nan 8.230 nan 0.000 0.470 244 P HA -0.201 nan 4.420 nan 0.000 0.218 244 P C 1.339 178.772 177.300 0.221 0.000 1.148 244 P CA 1.158 64.191 63.100 -0.111 0.000 0.822 244 P CB 0.089 31.663 31.700 -0.211 0.000 0.784 245 F N 0.473 120.505 119.950 0.136 0.000 2.293 245 F HA -0.064 4.463 4.527 -0.000 0.000 0.300 245 F C 1.652 177.542 175.800 0.150 0.000 1.086 245 F CA 1.281 59.395 58.000 0.191 0.000 1.375 245 F CB 0.003 39.163 39.000 0.267 0.000 1.045 245 F HN -0.207 nan 8.300 nan 0.000 0.516 246 R N -1.104 119.504 120.500 0.180 0.000 2.546 246 R HA 0.342 4.682 4.340 -0.000 0.000 0.320 246 R C 1.026 177.337 176.300 0.018 0.000 1.021 246 R CA 0.592 56.726 56.100 0.058 0.000 1.088 246 R CB 0.487 30.841 30.300 0.091 0.000 1.278 246 R HN 0.387 nan 8.270 nan 0.000 0.557 247 G N -0.085 108.762 108.800 0.078 0.000 3.006 247 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.195 247 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.195 247 G C 0.246 175.296 174.900 0.249 0.000 1.034 247 G CA -0.092 45.061 45.100 0.088 0.000 0.807 247 G HN 0.555 nan 8.290 nan 0.000 0.469 248 H N -1.207 117.902 119.070 0.066 0.000 2.899 248 H HA -0.223 4.333 4.556 -0.000 0.000 0.282 248 H C -0.020 175.296 175.328 -0.021 0.000 1.198 248 H CA 0.343 56.387 56.048 -0.005 0.000 1.140 248 H CB -1.172 28.616 29.762 0.043 0.000 1.317 248 H HN 0.586 nan 8.280 nan 0.000 0.375 249 F N 1.623 121.546 119.950 -0.044 0.000 2.494 249 F HA 0.383 4.910 4.527 -0.000 0.000 0.369 249 F C 0.093 175.755 175.800 -0.229 0.000 1.098 249 F CA 1.133 59.015 58.000 -0.196 0.000 1.154 249 F CB 0.628 39.470 39.000 -0.264 0.000 1.103 249 F HN 0.140 nan 8.300 nan 0.000 0.549 250 S N 4.121 119.356 115.700 -0.776 0.000 2.565 250 S HA 0.202 4.672 4.470 -0.000 0.000 0.269 250 S C 0.576 174.889 174.600 -0.478 0.000 1.153 250 S CA -0.435 57.474 58.200 -0.485 0.000 0.835 250 S CB 1.019 64.123 63.200 -0.160 0.000 1.122 250 S HN 0.709 nan 8.310 nan 0.000 0.462 251 E N 2.225 122.289 120.200 -0.227 0.000 2.110 251 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 251 E C 1.167 177.709 176.600 -0.097 0.000 0.988 251 E CA 1.587 57.911 56.400 -0.128 0.000 0.804 251 E CB -0.362 29.341 29.700 0.006 0.000 0.745 251 E HN 0.763 nan 8.360 nan 0.000 0.458 252 E N 1.170 121.308 120.200 -0.102 0.000 2.435 252 E HA -0.059 4.291 4.350 -0.000 0.000 0.195 252 E C 0.641 177.171 176.600 -0.116 0.000 1.029 252 E CA 0.383 56.737 56.400 -0.078 0.000 0.865 252 E CB -0.310 29.364 29.700 -0.043 0.000 0.833 252 E HN 0.171 nan 8.360 nan 0.000 0.510 253 N N 0.959 119.533 118.700 -0.210 0.000 2.268 253 N HA 0.095 4.835 4.740 -0.000 0.000 0.204 253 N C 1.366 176.753 175.510 -0.206 0.000 1.124 253 N CA -0.140 52.770 53.050 -0.233 0.000 0.838 253 N CB 0.199 38.462 38.487 -0.374 0.000 0.994 253 N HN 0.099 nan 8.380 nan 0.000 0.489 254 I N 1.493 121.940 120.570 -0.205 0.000 2.113 254 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 254 I C 1.697 177.761 176.117 -0.088 0.000 1.064 254 I CA 1.420 62.609 61.300 -0.185 0.000 1.320 254 I CB -0.828 37.090 38.000 -0.136 0.000 1.028 254 I HN 0.141 nan 8.210 nan 0.000 0.406 255 D N 0.848 121.218 120.400 -0.050 0.000 2.156 255 D HA -0.228 4.412 4.640 -0.000 0.000 0.190 255 D C 2.023 178.327 176.300 0.006 0.000 0.998 255 D CA 1.719 55.712 54.000 -0.013 0.000 0.842 255 D CB -0.256 40.539 40.800 -0.008 0.000 0.974 255 D HN 0.372 nan 8.370 nan 0.000 0.447 256 E N 0.472 120.670 120.200 -0.003 0.000 2.130 256 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 256 E C 2.206 178.848 176.600 0.069 0.000 0.998 256 E CA 0.470 56.884 56.400 0.023 0.000 0.806 256 E CB -0.108 29.594 29.700 0.003 0.000 0.738 256 E HN 0.347 nan 8.360 nan 0.000 0.459 257 I N 0.249 120.858 120.570 0.064 0.000 2.163 257 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 257 I C 2.246 178.517 176.117 0.258 0.000 1.081 257 I CA 1.178 62.597 61.300 0.199 0.000 1.353 257 I CB -0.831 37.203 38.000 0.057 0.000 1.054 257 I HN 0.176 nan 8.210 nan 0.000 0.407 258 L N 0.574 121.882 121.223 0.141 0.000 2.191 258 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 258 L C 2.745 179.706 176.870 0.152 0.000 1.103 258 L CA 1.090 56.041 54.840 0.184 0.000 0.769 258 L CB -0.551 41.575 42.059 0.112 0.000 0.908 258 L HN 0.213 nan 8.230 nan 0.000 0.438 259 A N -0.543 122.338 122.820 0.101 0.000 1.854 259 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 259 A C 2.350 179.966 177.584 0.053 0.000 1.192 259 A CA 2.010 54.085 52.037 0.063 0.000 0.611 259 A CB -0.755 18.271 19.000 0.044 0.000 0.832 259 A HN 0.307 nan 8.150 nan 0.000 0.442 260 T N -1.130 113.442 114.554 0.031 0.000 2.701 260 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 260 T C 0.828 175.422 174.700 -0.177 0.000 1.040 260 T CA 1.503 63.527 62.100 -0.126 0.000 1.147 260 T CB -0.377 68.302 68.868 -0.315 0.000 0.865 260 T HN 0.499 nan 8.240 nan 0.000 0.426 261 Y N 1.531 121.938 120.300 0.179 0.000 2.746 261 Y HA 0.482 5.032 4.550 -0.000 0.000 0.312 261 Y C 1.038 177.051 175.900 0.187 0.000 1.117 261 Y CA -0.847 57.366 58.100 0.189 0.000 1.324 261 Y CB -0.206 38.409 38.460 0.259 0.000 1.173 261 Y HN 0.016 nan 8.280 nan 0.000 0.529 262 S N 0.595 116.426 115.700 0.219 0.000 2.575 262 S HA 0.311 4.781 4.470 -0.000 0.000 0.295 262 S C 1.269 175.929 174.600 0.101 0.000 1.267 262 S CA 1.338 59.623 58.200 0.143 0.000 1.074 262 S CB 0.008 63.235 63.200 0.046 0.000 0.829 262 S HN 0.953 nan 8.310 nan 0.000 0.497 263 G N 4.543 113.399 108.800 0.093 0.000 2.481 263 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.200 263 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.200 263 G C 0.084 175.117 174.900 0.222 0.000 1.012 263 G CA -0.229 44.924 45.100 0.089 0.000 0.676 263 G HN 0.664 nan 8.290 nan 0.000 0.488 264 I N 2.192 122.833 120.570 0.118 0.000 2.598 264 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 264 I C 1.232 177.268 176.117 -0.134 0.000 1.140 264 I CA 0.532 61.762 61.300 -0.118 0.000 1.420 264 I CB 1.180 38.902 38.000 -0.464 0.000 1.387 264 I HN 0.146 nan 8.210 nan 0.000 0.553 265 K N 3.870 124.202 120.400 -0.114 0.000 2.361 265 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 265 K C 0.034 176.594 176.600 -0.067 0.000 1.032 265 K CA 0.439 56.713 56.287 -0.021 0.000 1.048 265 K CB 0.512 33.033 32.500 0.036 0.000 0.842 265 K HN 0.572 nan 8.250 nan 0.000 0.526 266 T N 0.889 115.284 114.554 -0.266 0.000 2.971 266 T HA 0.510 4.860 4.350 -0.000 0.000 0.304 266 T C -0.988 173.467 174.700 -0.408 0.000 1.038 266 T CA -0.566 61.431 62.100 -0.171 0.000 1.007 266 T CB 1.017 69.833 68.868 -0.087 0.000 1.055 266 T HN -0.161 nan 8.240 nan 0.000 0.451 267 F N 1.839 121.759 119.950 -0.051 0.000 2.520 267 F HA 0.509 5.036 4.527 -0.000 0.000 0.322 267 F C 1.094 176.750 175.800 -0.241 0.000 1.103 267 F CA -0.982 56.848 58.000 -0.282 0.000 0.926 267 F CB 1.799 40.465 39.000 -0.557 0.000 1.154 267 F HN 0.540 nan 8.300 nan 0.000 0.453 268 T N -0.186 114.265 114.554 -0.171 0.000 2.814 268 T HA 0.382 4.732 4.350 -0.000 0.000 0.297 268 T C -0.597 174.004 174.700 -0.164 0.000 0.956 268 T CA -0.248 61.811 62.100 -0.067 0.000 1.123 268 T CB -0.113 68.703 68.868 -0.086 0.000 0.902 268 T HN 0.350 nan 8.240 nan 0.000 0.528 269 F N 3.083 122.972 119.950 -0.101 0.000 2.351 269 F HA 0.279 4.805 4.527 -0.000 0.000 0.362 269 F C 1.347 177.171 175.800 0.039 0.000 1.131 269 F CA -0.994 57.021 58.000 0.024 0.000 1.187 269 F CB 0.659 39.712 39.000 0.088 0.000 1.434 269 F HN 0.572 nan 8.300 nan 0.000 0.553 270 Q N 0.930 120.792 119.800 0.104 0.000 2.272 270 Q HA 0.184 4.524 4.340 -0.000 0.000 0.192 270 Q C 1.166 177.257 176.000 0.151 0.000 1.059 270 Q CA -0.456 55.409 55.803 0.103 0.000 1.084 270 Q CB 0.777 29.472 28.738 -0.072 0.000 1.139 270 Q HN 0.511 nan 8.270 nan 0.000 0.593 271 S N 0.286 116.098 115.700 0.187 0.000 2.383 271 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 271 S C 1.850 176.622 174.600 0.286 0.000 1.026 271 S CA 1.076 59.449 58.200 0.288 0.000 0.981 271 S CB -0.360 62.989 63.200 0.247 0.000 0.818 271 S HN 0.672 nan 8.310 nan 0.000 0.472 272 A N 1.692 124.605 122.820 0.155 0.000 1.883 272 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 272 A C 2.112 179.734 177.584 0.064 0.000 1.186 272 A CA 1.553 53.670 52.037 0.133 0.000 0.624 272 A CB -0.823 18.219 19.000 0.070 0.000 0.822 272 A HN 0.422 nan 8.150 nan 0.000 0.444 273 L N -0.046 121.107 121.223 -0.117 0.000 2.012 273 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 273 L C 2.472 179.358 176.870 0.028 0.000 1.073 273 L CA 2.099 56.798 54.840 -0.235 0.000 0.748 273 L CB -0.604 41.365 42.059 -0.150 0.000 0.891 273 L HN 0.366 nan 8.230 nan 0.000 0.431 274 R N -2.132 118.411 120.500 0.073 0.000 2.090 274 R HA -0.132 4.208 4.340 -0.000 0.000 0.228 274 R C 2.104 178.303 176.300 -0.168 0.000 1.110 274 R CA 1.818 57.891 56.100 -0.045 0.000 0.973 274 R CB -0.380 29.847 30.300 -0.121 0.000 0.869 274 R HN 0.416 nan 8.270 nan 0.000 0.440 275 Y N 0.160 120.518 120.300 0.098 0.000 2.353 275 Y HA 0.036 4.586 4.550 -0.000 0.000 0.294 275 Y C 2.063 178.034 175.900 0.118 0.000 1.135 275 Y CA 0.592 58.749 58.100 0.094 0.000 1.176 275 Y CB 0.205 38.711 38.460 0.076 0.000 1.124 275 Y HN -0.064 nan 8.280 nan 0.000 0.537 276 D N -1.008 119.578 120.400 0.310 0.000 2.144 276 D HA -0.104 4.536 4.640 -0.000 0.000 0.207 276 D C 1.710 178.168 176.300 0.263 0.000 0.970 276 D CA 1.294 55.456 54.000 0.271 0.000 0.853 276 D CB -0.620 40.346 40.800 0.275 0.000 1.007 276 D HN 0.495 nan 8.370 nan 0.000 0.469 277 H N 0.893 120.015 119.070 0.087 0.000 2.489 277 H HA 0.129 4.685 4.556 -0.000 0.000 0.293 277 H C 1.184 176.542 175.328 0.050 0.000 1.066 277 H CA 0.566 56.652 56.048 0.063 0.000 1.305 277 H CB 0.255 30.045 29.762 0.048 0.000 1.386 277 H HN 0.173 nan 8.280 nan 0.000 0.551 278 G N 0.718 109.621 108.800 0.173 0.000 2.730 278 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 278 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 278 G C 0.352 175.285 174.900 0.055 0.000 1.343 278 G CA -0.064 45.087 45.100 0.087 0.000 0.826 278 G HN 0.367 nan 8.290 nan 0.000 0.582 279 E N 0.006 120.214 120.200 0.013 0.000 2.085 279 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 279 E C 2.173 178.798 176.600 0.042 0.000 0.994 279 E CA 1.533 57.936 56.400 0.004 0.000 0.801 279 E CB 0.007 29.700 29.700 -0.013 0.000 0.743 279 E HN 0.500 nan 8.360 nan 0.000 0.453 280 E N 0.788 121.016 120.200 0.046 0.000 2.051 280 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 280 E C 1.881 178.533 176.600 0.087 0.000 0.991 280 E CA 1.327 57.762 56.400 0.057 0.000 0.799 280 E CB -0.318 29.406 29.700 0.039 0.000 0.748 280 E HN 0.254 nan 8.360 nan 0.000 0.449 281 A N -0.416 122.453 122.820 0.081 0.000 1.902 281 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 281 A C 2.414 180.091 177.584 0.155 0.000 1.181 281 A CA 2.170 54.267 52.037 0.100 0.000 0.623 281 A CB -0.998 18.069 19.000 0.111 0.000 0.818 281 A HN 0.344 nan 8.150 nan 0.000 0.443 282 T N 0.164 114.804 114.554 0.145 0.000 2.643 282 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 282 T C 1.940 176.749 174.700 0.182 0.000 1.045 282 T CA 1.838 64.050 62.100 0.186 0.000 1.155 282 T CB -0.277 68.674 68.868 0.138 0.000 0.863 282 T HN 0.541 nan 8.240 nan 0.000 0.420 283 K N 0.313 120.780 120.400 0.111 0.000 2.113 283 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 283 K C 2.308 178.968 176.600 0.101 0.000 1.047 283 K CA 1.317 57.649 56.287 0.075 0.000 0.928 283 K CB -0.274 32.255 32.500 0.050 0.000 0.716 283 K HN 0.438 nan 8.250 nan 0.000 0.446 284 H N 0.198 119.299 119.070 0.052 0.000 2.321 284 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 284 H C 1.878 177.240 175.328 0.056 0.000 1.087 284 H CA 1.769 57.843 56.048 0.042 0.000 1.319 284 H CB 0.111 29.890 29.762 0.029 0.000 1.379 284 H HN 0.232 nan 8.280 nan 0.000 0.501 285 A N 0.529 123.474 122.820 0.209 0.000 1.930 285 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 285 A C 2.849 180.575 177.584 0.237 0.000 1.175 285 A CA 1.414 53.551 52.037 0.168 0.000 0.627 285 A CB -0.805 18.270 19.000 0.124 0.000 0.815 285 A HN 0.291 nan 8.150 nan 0.000 0.443 286 V N 0.365 120.429 119.914 0.250 0.000 2.287 286 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 286 V C 2.646 178.768 176.094 0.046 0.000 1.053 286 V CA 2.366 64.735 62.300 0.116 0.000 1.027 286 V CB -0.933 30.859 31.823 -0.052 0.000 0.646 286 V HN 0.548 nan 8.190 nan 0.000 0.447 287 R N -0.013 120.473 120.500 -0.023 0.000 2.070 287 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 287 R C 2.418 178.676 176.300 -0.070 0.000 1.138 287 R CA 1.796 57.855 56.100 -0.067 0.000 0.936 287 R CB -0.522 29.703 30.300 -0.124 0.000 0.839 287 R HN 0.590 nan 8.270 nan 0.000 0.429 288 E N 0.759 120.879 120.200 -0.133 0.000 2.209 288 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 288 E C 1.826 178.420 176.600 -0.011 0.000 0.993 288 E CA 0.765 57.106 56.400 -0.098 0.000 0.819 288 E CB 0.115 29.736 29.700 -0.132 0.000 0.745 288 E HN 0.095 nan 8.360 nan 0.000 0.477 289 L N 0.963 122.214 121.223 0.047 0.000 2.084 289 L HA -0.029 4.311 4.340 -0.000 0.000 0.202 289 L C 2.056 178.989 176.870 0.105 0.000 1.074 289 L CA 1.682 56.587 54.840 0.108 0.000 0.757 289 L CB -0.317 41.887 42.059 0.241 0.000 0.918 289 L HN -0.126 nan 8.230 nan 0.000 0.444 290 K N -0.089 120.362 120.400 0.085 0.000 2.089 290 K HA -0.285 4.035 4.320 -0.000 0.000 0.210 290 K C 1.934 178.562 176.600 0.047 0.000 1.048 290 K CA 2.346 58.669 56.287 0.061 0.000 0.926 290 K CB -0.185 32.332 32.500 0.028 0.000 0.714 290 K HN 0.706 nan 8.250 nan 0.000 0.448 291 E N 0.301 120.518 120.200 0.028 0.000 2.107 291 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 291 E C 1.349 177.968 176.600 0.032 0.000 0.982 291 E CA 1.126 57.538 56.400 0.020 0.000 0.809 291 E CB 0.054 29.754 29.700 0.000 0.000 0.756 291 E HN 0.134 nan 8.360 nan 0.000 0.459 292 K N -0.228 120.196 120.400 0.041 0.000 2.367 292 K HA 0.126 4.446 4.320 -0.000 0.000 0.194 292 K C 1.647 178.293 176.600 0.077 0.000 1.027 292 K CA -0.042 56.274 56.287 0.048 0.000 1.075 292 K CB 0.177 32.698 32.500 0.036 0.000 0.845 292 K HN 0.063 nan 8.250 nan 0.000 0.529 293 I N 1.903 122.534 120.570 0.102 0.000 2.335 293 I HA -0.278 3.892 4.170 -0.000 0.000 0.251 293 I C 2.011 178.191 176.117 0.105 0.000 1.129 293 I CA 1.048 62.432 61.300 0.141 0.000 1.402 293 I CB -0.317 37.781 38.000 0.163 0.000 1.069 293 I HN 0.144 nan 8.210 nan 0.000 0.424 294 A N -0.451 122.414 122.820 0.073 0.000 1.971 294 A HA -0.331 3.989 4.320 -0.000 0.000 0.222 294 A C 2.055 179.669 177.584 0.048 0.000 1.182 294 A CA 2.194 54.263 52.037 0.053 0.000 0.649 294 A CB -0.871 18.151 19.000 0.038 0.000 0.818 294 A HN 0.664 nan 8.150 nan 0.000 0.458 295 Q N -0.290 119.542 119.800 0.053 0.000 2.253 295 Q HA 0.209 4.549 4.340 -0.000 0.000 0.210 295 Q C 0.231 176.263 176.000 0.054 0.000 0.907 295 Q CA 0.142 55.970 55.803 0.041 0.000 0.948 295 Q CB 0.135 28.895 28.738 0.037 0.000 1.033 295 Q HN 0.367 nan 8.270 nan 0.000 0.471 296 S N 1.315 117.059 115.700 0.074 0.000 2.695 296 S HA 0.221 4.691 4.470 -0.000 0.000 0.275 296 S C -0.724 173.885 174.600 0.015 0.000 1.203 296 S CA -0.617 57.636 58.200 0.087 0.000 1.061 296 S CB -0.074 63.224 63.200 0.164 0.000 1.152 296 S HN 0.004 nan 8.310 nan 0.000 0.495 297 K N 3.757 124.129 120.400 -0.047 0.000 2.208 297 K HA 0.569 4.889 4.320 -0.000 0.000 0.247 297 K C -2.803 173.639 176.600 -0.264 0.000 0.953 297 K CA -3.091 53.108 56.287 -0.147 0.000 0.837 297 K CB 0.246 32.678 32.500 -0.113 0.000 1.131 297 K HN 0.246 nan 8.250 nan 0.000 0.431 298 P HA 0.060 nan 4.420 nan 0.000 0.263 298 P C 0.159 177.273 177.300 -0.310 0.000 1.175 298 P CA 0.268 63.028 63.100 -0.567 0.000 0.761 298 P CB 0.491 31.812 31.700 -0.631 0.000 0.794 299 R N 2.089 122.427 120.500 -0.270 0.000 2.276 299 R HA 0.018 4.358 4.340 -0.000 0.000 0.196 299 R C 0.611 176.597 176.300 -0.524 0.000 0.961 299 R CA -0.183 55.675 56.100 -0.404 0.000 1.024 299 R CB -0.321 29.690 30.300 -0.483 0.000 0.940 299 R HN 0.564 nan 8.270 nan 0.000 0.480 300 N N 1.495 120.022 118.700 -0.289 0.000 2.684 300 N HA -0.214 4.526 4.740 -0.000 0.000 0.284 300 N C -1.242 174.153 175.510 -0.192 0.000 1.067 300 N CA 0.536 53.487 53.050 -0.164 0.000 0.791 300 N CB -0.582 37.833 38.487 -0.121 0.000 0.934 300 N HN 0.014 nan 8.380 nan 0.000 0.566 301 F N 0.887 120.834 119.950 -0.004 0.000 2.471 301 F HA 0.072 4.599 4.527 -0.000 0.000 0.353 301 F C 1.689 177.484 175.800 -0.008 0.000 1.113 301 F CA -0.148 57.847 58.000 -0.007 0.000 1.262 301 F CB 0.583 39.579 39.000 -0.006 0.000 1.146 301 F HN 0.202 nan 8.300 nan 0.000 0.578 302 S N 1.358 117.166 115.700 0.179 0.000 2.572 302 S HA -0.042 4.428 4.470 -0.000 0.000 0.267 302 S C 1.195 175.848 174.600 0.089 0.000 1.361 302 S CA -0.401 57.858 58.200 0.098 0.000 1.009 302 S CB 0.806 64.048 63.200 0.070 0.000 0.888 302 S HN 0.717 nan 8.310 nan 0.000 0.553 303 E N 0.812 121.039 120.200 0.045 0.000 2.106 303 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 303 E C 1.808 178.405 176.600 -0.004 0.000 0.984 303 E CA 1.708 58.121 56.400 0.022 0.000 0.806 303 E CB -0.391 29.317 29.700 0.013 0.000 0.750 303 E HN 0.816 nan 8.360 nan 0.000 0.458 304 E N 0.345 120.542 120.200 -0.005 0.000 2.058 304 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 304 E C 1.717 178.275 176.600 -0.070 0.000 0.997 304 E CA 1.617 57.996 56.400 -0.034 0.000 0.801 304 E CB -0.145 29.542 29.700 -0.022 0.000 0.746 304 E HN 0.283 nan 8.360 nan 0.000 0.450 305 D N 0.153 120.534 120.400 -0.032 0.000 2.117 305 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 305 D C 1.676 177.871 176.300 -0.175 0.000 0.987 305 D CA 0.951 54.908 54.000 -0.071 0.000 0.829 305 D CB -0.091 40.761 40.800 0.087 0.000 0.961 305 D HN 0.096 nan 8.370 nan 0.000 0.460 306 K N 0.424 120.749 120.400 -0.124 0.000 2.009 306 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 306 K C 1.678 178.184 176.600 -0.157 0.000 1.049 306 K CA 1.377 57.574 56.287 -0.150 0.000 0.929 306 K CB -0.099 32.360 32.500 -0.069 0.000 0.714 306 K HN 0.041 nan 8.250 nan 0.000 0.440 307 D N 0.810 121.134 120.400 -0.126 0.000 2.133 307 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 307 D C 1.757 177.933 176.300 -0.207 0.000 0.997 307 D CA 0.866 54.788 54.000 -0.129 0.000 0.840 307 D CB -0.181 40.563 40.800 -0.093 0.000 0.947 307 D HN 0.024 nan 8.370 nan 0.000 0.452 308 L N 0.012 121.055 121.223 -0.301 0.000 2.056 308 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 308 L C 2.143 178.608 176.870 -0.675 0.000 1.078 308 L CA 1.402 55.906 54.840 -0.561 0.000 0.749 308 L CB -0.428 41.263 42.059 -0.613 0.000 0.901 308 L HN 0.013 nan 8.230 nan 0.000 0.433 309 M N -0.747 118.611 119.600 -0.403 0.000 2.086 309 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 309 M C 2.153 178.373 176.300 -0.134 0.000 1.067 309 M CA 1.806 56.972 55.300 -0.222 0.000 1.116 309 M CB -0.452 32.022 32.600 -0.210 0.000 1.348 309 M HN 0.198 nan 8.290 nan 0.000 0.407 310 K N -0.067 120.244 120.400 -0.148 0.000 2.103 310 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 310 K C 1.805 178.369 176.600 -0.061 0.000 1.048 310 K CA 1.087 57.318 56.287 -0.094 0.000 0.930 310 K CB -0.274 32.172 32.500 -0.090 0.000 0.716 310 K HN 0.333 nan 8.250 nan 0.000 0.444 311 E N 0.353 120.486 120.200 -0.112 0.000 2.107 311 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 311 E C 1.991 178.666 176.600 0.125 0.000 0.982 311 E CA 0.941 57.320 56.400 -0.034 0.000 0.809 311 E CB -0.189 29.456 29.700 -0.092 0.000 0.756 311 E HN 0.215 nan 8.360 nan 0.000 0.459 312 F N 0.924 120.867 119.950 -0.012 0.000 2.146 312 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 312 F C 2.380 178.190 175.800 0.017 0.000 1.096 312 F CA 0.223 58.227 58.000 0.006 0.000 1.275 312 F CB -0.978 38.004 39.000 -0.030 0.000 1.008 312 F HN -0.032 nan 8.300 nan 0.000 0.480 313 I N -0.211 120.466 120.570 0.178 0.000 2.163 313 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 313 I C 2.770 178.928 176.117 0.069 0.000 1.085 313 I CA 1.556 62.901 61.300 0.075 0.000 1.347 313 I CB -1.163 36.829 38.000 -0.013 0.000 1.044 313 I HN 0.165 nan 8.210 nan 0.000 0.408 314 G N 1.200 110.039 108.800 0.064 0.000 2.491 314 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 314 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 314 G C 1.676 176.636 174.900 0.101 0.000 1.180 314 G CA 0.991 46.125 45.100 0.058 0.000 0.774 314 G HN 0.340 nan 8.290 nan 0.000 0.562 315 I N 0.225 120.890 120.570 0.158 0.000 2.179 315 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 315 I C 2.851 179.106 176.117 0.230 0.000 1.088 315 I CA 0.748 62.164 61.300 0.193 0.000 1.357 315 I CB -0.307 37.845 38.000 0.254 0.000 1.051 315 I HN 0.200 nan 8.210 nan 0.000 0.409 316 C N -0.091 119.329 119.300 0.201 0.000 2.440 316 C HA -0.114 4.346 4.460 -0.000 0.000 0.278 316 C C 3.164 178.305 174.990 0.252 0.000 1.295 316 C CA 1.114 60.257 59.018 0.210 0.000 1.738 316 C CB -0.930 26.894 27.740 0.140 0.000 1.987 316 C HN 0.481 nan 8.230 nan 0.000 0.492 317 S N 0.456 116.276 115.700 0.200 0.000 2.383 317 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 317 S C 1.856 176.615 174.600 0.265 0.000 1.026 317 S CA 1.371 59.722 58.200 0.252 0.000 0.981 317 S CB -0.311 62.994 63.200 0.174 0.000 0.818 317 S HN 0.725 nan 8.310 nan 0.000 0.472 318 K N 1.159 121.652 120.400 0.154 0.000 1.987 318 K HA -0.229 4.091 4.320 -0.000 0.000 0.216 318 K C 1.942 178.580 176.600 0.063 0.000 1.051 318 K CA 1.802 58.119 56.287 0.051 0.000 0.942 318 K CB -0.385 32.060 32.500 -0.091 0.000 0.722 318 K HN 0.386 nan 8.250 nan 0.000 0.444 319 H N -1.221 117.949 119.070 0.168 0.000 2.421 319 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 319 H C 1.995 177.444 175.328 0.201 0.000 1.087 319 H CA 1.661 57.803 56.048 0.156 0.000 1.330 319 H CB -0.227 29.613 29.762 0.131 0.000 1.388 319 H HN 0.397 nan 8.280 nan 0.000 0.526 320 Y N 1.449 121.902 120.300 0.255 0.000 2.109 320 Y HA -0.173 4.377 4.550 -0.000 0.000 0.285 320 Y C 2.489 178.537 175.900 0.246 0.000 1.131 320 Y CA 1.208 59.459 58.100 0.251 0.000 1.121 320 Y CB -0.570 38.033 38.460 0.239 0.000 0.987 320 Y HN -0.039 nan 8.280 nan 0.000 0.495 321 L N 0.351 121.710 121.223 0.228 0.000 2.046 321 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 321 L C 2.695 179.639 176.870 0.125 0.000 1.077 321 L CA 1.829 56.744 54.840 0.125 0.000 0.747 321 L CB -0.930 41.224 42.059 0.158 0.000 0.896 321 L HN 0.332 nan 8.230 nan 0.000 0.432 322 Q N -0.084 119.784 119.800 0.114 0.000 2.082 322 Q HA -0.280 4.060 4.340 -0.000 0.000 0.211 322 Q C 2.019 178.068 176.000 0.082 0.000 1.002 322 Q CA 2.887 58.746 55.803 0.094 0.000 0.868 322 Q CB -0.123 28.667 28.738 0.087 0.000 0.931 322 Q HN 0.532 nan 8.270 nan 0.000 0.414 323 T N 0.272 114.868 114.554 0.070 0.000 2.894 323 T HA -0.075 4.275 4.350 -0.000 0.000 0.258 323 T C 1.308 176.002 174.700 -0.009 0.000 1.043 323 T CA 0.815 62.937 62.100 0.037 0.000 1.141 323 T CB -0.506 68.399 68.868 0.061 0.000 0.873 323 T HN 0.394 nan 8.240 nan 0.000 0.449 324 F N 2.248 122.052 119.950 -0.244 0.000 2.085 324 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 324 F C 1.803 177.503 175.800 -0.167 0.000 1.096 324 F CA 1.417 59.250 58.000 -0.277 0.000 1.227 324 F CB -0.511 38.226 39.000 -0.438 0.000 0.983 324 F HN 0.033 nan 8.300 nan 0.000 0.482 325 L N 0.111 121.405 121.223 0.119 0.000 2.131 325 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 325 L C 2.331 179.166 176.870 -0.059 0.000 1.092 325 L CA 1.458 56.324 54.840 0.043 0.000 0.759 325 L CB -0.611 41.539 42.059 0.152 0.000 0.903 325 L HN 0.114 nan 8.230 nan 0.000 0.435 326 K N -0.528 119.840 120.400 -0.052 0.000 2.228 326 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 326 K C 1.789 178.330 176.600 -0.098 0.000 1.051 326 K CA 1.395 57.652 56.287 -0.051 0.000 0.960 326 K CB 0.166 32.653 32.500 -0.022 0.000 0.743 326 K HN 0.359 nan 8.250 nan 0.000 0.458 327 V N -2.232 117.581 119.914 -0.168 0.000 3.621 327 V HA 0.046 4.166 4.120 -0.000 0.000 0.263 327 V C 1.806 177.752 176.094 -0.247 0.000 1.272 327 V CA -0.012 62.175 62.300 -0.188 0.000 1.080 327 V CB -0.186 31.519 31.823 -0.196 0.000 0.816 327 V HN -0.003 nan 8.190 nan 0.000 0.451 328 I N 2.674 122.999 120.570 -0.408 0.000 2.145 328 I HA -0.258 3.912 4.170 -0.000 0.000 0.244 328 I C 2.060 178.047 176.117 -0.217 0.000 1.075 328 I CA 2.192 63.181 61.300 -0.519 0.000 1.332 328 I CB -0.580 36.827 38.000 -0.989 0.000 1.033 328 I HN 0.330 nan 8.210 nan 0.000 0.410 329 D N -0.429 119.902 120.400 -0.116 0.000 2.144 329 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 329 D C 2.160 178.481 176.300 0.036 0.000 0.984 329 D CA 1.853 55.854 54.000 0.002 0.000 0.834 329 D CB -0.228 40.586 40.800 0.023 0.000 0.955 329 D HN 0.409 nan 8.370 nan 0.000 0.465 330 T N 0.536 115.085 114.554 -0.009 0.000 2.770 330 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 330 T C 2.336 177.088 174.700 0.087 0.000 1.039 330 T CA 0.572 62.693 62.100 0.034 0.000 1.142 330 T CB -0.363 68.484 68.868 -0.036 0.000 0.868 330 T HN -0.049 nan 8.240 nan 0.000 0.435 331 V N 1.774 121.678 119.914 -0.017 0.000 2.317 331 V HA -0.225 3.895 4.120 -0.000 0.000 0.251 331 V C 2.738 178.869 176.094 0.063 0.000 1.065 331 V CA 1.956 64.237 62.300 -0.033 0.000 1.049 331 V CB -0.892 30.855 31.823 -0.127 0.000 0.651 331 V HN 0.441 nan 8.190 nan 0.000 0.450 332 S N -0.707 115.045 115.700 0.087 0.000 2.382 332 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 332 S C 1.744 176.434 174.600 0.151 0.000 1.027 332 S CA 1.806 60.080 58.200 0.123 0.000 0.991 332 S CB -0.455 62.819 63.200 0.124 0.000 0.823 332 S HN 0.648 nan 8.310 nan 0.000 0.469 333 F N 2.193 122.181 119.950 0.063 0.000 2.161 333 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 333 F C 1.948 177.892 175.800 0.240 0.000 1.089 333 F CA 1.114 59.183 58.000 0.116 0.000 1.282 333 F CB -0.343 38.719 39.000 0.103 0.000 1.010 333 F HN -0.012 nan 8.300 nan 0.000 0.485 334 V N 0.143 120.160 119.914 0.172 0.000 2.346 334 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 334 V C 2.664 178.859 176.094 0.167 0.000 1.037 334 V CA 1.554 63.968 62.300 0.190 0.000 1.029 334 V CB -1.027 30.871 31.823 0.124 0.000 0.663 334 V HN 0.554 nan 8.190 nan 0.000 0.454 335 S N 0.584 116.333 115.700 0.082 0.000 2.428 335 S HA -0.343 4.127 4.470 -0.000 0.000 0.240 335 S C 1.523 176.115 174.600 -0.014 0.000 1.036 335 S CA 2.061 60.297 58.200 0.061 0.000 1.009 335 S CB -0.784 62.473 63.200 0.095 0.000 0.803 335 S HN 0.577 nan 8.310 nan 0.000 0.486 336 D N 0.598 120.911 120.400 -0.145 0.000 2.311 336 D HA 0.003 4.643 4.640 -0.000 0.000 0.212 336 D C 0.843 176.828 176.300 -0.525 0.000 0.972 336 D CA 0.876 54.640 54.000 -0.393 0.000 0.887 336 D CB -0.327 40.066 40.800 -0.679 0.000 0.915 336 D HN 0.645 nan 8.370 nan 0.000 0.497 337 F N -0.236 119.635 119.950 -0.131 0.000 2.704 337 F HA 0.175 4.702 4.527 -0.000 0.000 0.304 337 F C 0.852 176.619 175.800 -0.055 0.000 1.094 337 F CA -0.594 57.343 58.000 -0.104 0.000 1.275 337 F CB 0.402 39.328 39.000 -0.124 0.000 1.073 337 F HN -0.222 nan 8.300 nan 0.000 0.586 338 I N 3.223 123.860 120.570 0.112 0.000 2.752 338 I HA -0.002 4.168 4.170 -0.000 0.000 0.289 338 I C -1.956 174.187 176.117 0.044 0.000 1.197 338 I CA -2.146 59.199 61.300 0.074 0.000 1.432 338 I CB -0.500 37.540 38.000 0.066 0.000 1.359 338 I HN -0.163 nan 8.210 nan 0.000 0.571 339 P HA 0.114 nan 4.420 nan 0.000 0.266 339 P C -0.209 177.109 177.300 0.030 0.000 1.195 339 P CA 0.058 63.174 63.100 0.027 0.000 0.768 339 P CB 0.306 32.025 31.700 0.033 0.000 0.838 340 K N 2.122 122.533 120.400 0.017 0.000 2.268 340 K HA 0.234 4.554 4.320 -0.000 0.000 0.276 340 K C 0.319 176.976 176.600 0.095 0.000 1.080 340 K CA -0.409 55.901 56.287 0.040 0.000 0.910 340 K CB -0.544 31.964 32.500 0.013 0.000 1.163 340 K HN 0.373 nan 8.250 nan 0.000 0.465 341 N N 1.078 119.845 118.700 0.112 0.000 2.236 341 N HA 0.073 4.813 4.740 -0.000 0.000 0.196 341 N C -0.193 175.397 175.510 0.135 0.000 1.114 341 N CA 0.086 53.231 53.050 0.158 0.000 0.859 341 N CB 0.503 39.027 38.487 0.060 0.000 0.982 341 N HN 0.522 nan 8.380 nan 0.000 0.493 342 R N -0.011 120.559 120.500 0.117 0.000 2.930 342 R HA 0.287 4.627 4.340 -0.000 0.000 0.257 342 R C -0.864 175.516 176.300 0.133 0.000 1.107 342 R CA -0.573 55.553 56.100 0.043 0.000 0.999 342 R CB 0.426 30.720 30.300 -0.011 0.000 1.209 342 R HN -0.117 nan 8.270 nan 0.000 0.486 343 D N 2.292 122.737 120.400 0.074 0.000 2.713 343 D HA 0.112 4.752 4.640 -0.000 0.000 0.229 343 D C 0.157 176.480 176.300 0.038 0.000 1.136 343 D CA 0.145 54.198 54.000 0.089 0.000 1.010 343 D CB 0.217 41.056 40.800 0.065 0.000 1.084 343 D HN -0.017 nan 8.370 nan 0.000 0.495 344 R N 0.389 120.912 120.500 0.038 0.000 2.615 344 R HA 0.369 4.709 4.340 -0.000 0.000 0.270 344 R C 0.509 176.823 176.300 0.024 0.000 1.081 344 R CA -0.562 55.550 56.100 0.021 0.000 1.154 344 R CB 1.132 31.446 30.300 0.023 0.000 1.063 344 R HN 0.171 nan 8.270 nan 0.000 0.519 345 L N 0.886 122.122 121.223 0.021 0.000 2.375 345 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 345 L C 0.291 177.171 176.870 0.017 0.000 1.107 345 L CA 0.056 54.910 54.840 0.022 0.000 0.806 345 L CB 1.425 43.500 42.059 0.026 0.000 1.146 345 L HN 0.728 nan 8.230 nan 0.000 0.447 356 R N 0.464 120.948 120.500 -0.027 0.000 2.732 356 R HA 0.786 5.126 4.340 -0.000 0.000 0.278 356 R C -1.083 175.139 176.300 -0.129 0.000 0.976 356 R CA -0.387 55.674 56.100 -0.066 0.000 0.963 356 R CB 1.432 31.701 30.300 -0.051 0.000 1.150 356 R HN 0.686 nan 8.270 nan 0.000 0.478 357 E N 2.607 122.641 120.200 -0.277 0.000 2.321 357 E HA 0.364 4.714 4.350 -0.000 0.000 0.281 357 E C -1.438 174.815 176.600 -0.579 0.000 0.910 357 E CA -0.593 55.600 56.400 -0.344 0.000 0.770 357 E CB 1.894 31.433 29.700 -0.268 0.000 1.225 357 E HN 0.533 nan 8.360 nan 0.000 0.417 358 V N 1.770 121.512 119.914 -0.287 0.000 2.953 358 V HA 0.691 4.811 4.120 -0.000 0.000 0.304 358 V C 0.482 176.543 176.094 -0.055 0.000 1.073 358 V CA 0.217 62.415 62.300 -0.170 0.000 1.064 358 V CB 1.186 32.978 31.823 -0.051 0.000 1.047 358 V HN 0.702 nan 8.190 nan 0.000 0.478 359 A N 3.565 126.463 122.820 0.130 0.000 2.409 359 A HA 0.482 4.802 4.320 -0.000 0.000 0.262 359 A C 0.373 178.027 177.584 0.117 0.000 1.113 359 A CA -0.291 51.870 52.037 0.206 0.000 0.790 359 A CB -0.086 19.085 19.000 0.285 0.000 1.046 359 A HN 1.049 nan 8.150 nan 0.000 0.496 360 N N 2.370 121.133 118.700 0.107 0.000 2.425 360 N HA 0.362 5.102 4.740 -0.000 0.000 0.268 360 N C -0.061 175.554 175.510 0.176 0.000 0.991 360 N CA -0.478 52.644 53.050 0.120 0.000 0.931 360 N CB 1.177 39.736 38.487 0.121 0.000 1.130 360 N HN 0.466 nan 8.380 nan 0.000 0.493 361 L N 1.575 122.875 121.223 0.129 0.000 2.672 361 L HA 0.454 4.794 4.340 -0.000 0.000 0.236 361 L C 1.184 178.094 176.870 0.067 0.000 1.092 361 L CA -0.045 54.869 54.840 0.123 0.000 0.887 361 L CB -0.113 42.006 42.059 0.099 0.000 1.168 361 L HN 0.238 nan 8.230 nan 0.000 0.502 362 D N 1.166 121.597 120.400 0.052 0.000 2.097 362 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 362 D C 1.719 178.014 176.300 -0.008 0.000 0.989 362 D CA 1.203 55.215 54.000 0.020 0.000 0.827 362 D CB -0.269 40.543 40.800 0.020 0.000 0.966 362 D HN 0.247 nan 8.370 nan 0.000 0.456 363 N N 0.296 118.991 118.700 -0.008 0.000 2.091 363 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 363 N C 1.786 177.212 175.510 -0.138 0.000 1.021 363 N CA 0.632 53.646 53.050 -0.061 0.000 0.862 363 N CB -0.513 37.947 38.487 -0.046 0.000 1.018 363 N HN 0.145 nan 8.380 nan 0.000 0.429 364 V N 0.102 119.906 119.914 -0.183 0.000 2.992 364 V HA 0.212 4.332 4.120 -0.000 0.000 0.250 364 V C 1.921 177.951 176.094 -0.106 0.000 1.090 364 V CA 1.136 63.296 62.300 -0.234 0.000 1.101 364 V CB -0.337 31.246 31.823 -0.401 0.000 0.743 364 V HN 0.266 nan 8.190 nan 0.000 0.468 365 A N -0.149 122.638 122.820 -0.055 0.000 1.898 365 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 365 A C 1.778 179.344 177.584 -0.030 0.000 1.181 365 A CA 1.832 53.853 52.037 -0.026 0.000 0.620 365 A CB -0.735 18.262 19.000 -0.005 0.000 0.819 365 A HN 0.559 nan 8.150 nan 0.000 0.442 366 D N 0.126 120.504 120.400 -0.036 0.000 2.322 366 D HA -0.139 4.501 4.640 -0.000 0.000 0.210 366 D C 1.604 177.881 176.300 -0.038 0.000 0.983 366 D CA 0.987 54.968 54.000 -0.033 0.000 0.902 366 D CB -0.243 40.536 40.800 -0.035 0.000 0.905 366 D HN 0.565 nan 8.370 nan 0.000 0.483 367 L N -0.404 120.789 121.223 -0.050 0.000 2.354 367 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 367 L C 0.933 177.779 176.870 -0.041 0.000 1.091 367 L CA 0.042 54.849 54.840 -0.054 0.000 0.828 367 L CB -0.205 41.808 42.059 -0.077 0.000 0.973 367 L HN -0.115 nan 8.230 nan 0.000 0.461 368 V N -3.619 116.277 119.914 -0.029 0.000 2.716 368 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 368 V C 0.955 177.043 176.094 -0.010 0.000 1.053 368 V CA -0.713 61.577 62.300 -0.016 0.000 0.984 368 V CB 1.772 33.594 31.823 -0.001 0.000 1.021 368 V HN -0.099 nan 8.190 nan 0.000 0.467 369 K N 0.073 120.470 120.400 -0.005 0.000 2.099 369 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 369 K C 0.855 177.458 176.600 0.006 0.000 1.047 369 K CA 0.947 57.233 56.287 -0.001 0.000 0.963 369 K CB -0.390 32.108 32.500 -0.002 0.000 0.759 369 K HN 1.064 nan 8.250 nan 0.000 0.451 370 D N 1.257 121.666 120.400 0.015 0.000 2.581 370 D HA -0.104 4.536 4.640 -0.000 0.000 0.238 370 D C 0.748 177.054 176.300 0.010 0.000 1.145 370 D CA 0.503 54.512 54.000 0.016 0.000 0.866 370 D CB 1.108 41.924 40.800 0.027 0.000 1.151 370 D HN 0.168 nan 8.370 nan 0.000 0.500 371 E N 2.820 123.023 120.200 0.006 0.000 2.250 371 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 371 E C 1.821 178.424 176.600 0.005 0.000 0.986 371 E CA 0.452 56.855 56.400 0.005 0.000 0.849 371 E CB 0.138 29.839 29.700 0.003 0.000 0.797 371 E HN 0.424 nan 8.360 nan 0.000 0.482 372 V N 0.947 120.864 119.914 0.005 0.000 2.407 372 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 372 V C 2.317 178.414 176.094 0.006 0.000 1.055 372 V CA 1.532 63.835 62.300 0.004 0.000 1.049 372 V CB -0.715 31.110 31.823 0.002 0.000 0.662 372 V HN 0.261 nan 8.190 nan 0.000 0.455 373 L N 0.677 121.906 121.223 0.010 0.000 1.982 373 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 373 L C 2.529 179.405 176.870 0.010 0.000 1.078 373 L CA 2.435 57.282 54.840 0.013 0.000 0.749 373 L CB -0.867 41.208 42.059 0.027 0.000 0.894 373 L HN 0.227 nan 8.230 nan 0.000 0.436 374 K N -1.112 119.294 120.400 0.010 0.000 2.127 374 K HA -0.344 3.976 4.320 -0.000 0.000 0.212 374 K C 2.243 178.848 176.600 0.009 0.000 1.050 374 K CA 2.263 58.554 56.287 0.007 0.000 0.929 374 K CB -0.177 32.325 32.500 0.004 0.000 0.715 374 K HN 0.370 nan 8.250 nan 0.000 0.457 375 Q N 0.455 120.260 119.800 0.008 0.000 2.083 375 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 375 Q C 1.748 177.754 176.000 0.010 0.000 0.969 375 Q CA 2.018 57.827 55.803 0.009 0.000 0.838 375 Q CB -0.011 28.732 28.738 0.007 0.000 0.900 375 Q HN 0.598 nan 8.270 nan 0.000 0.436 376 E N -0.488 119.716 120.200 0.006 0.000 2.204 376 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 376 E C 1.826 178.429 176.600 0.004 0.000 0.989 376 E CA 0.990 57.391 56.400 0.002 0.000 0.824 376 E CB -0.327 29.367 29.700 -0.009 0.000 0.756 376 E HN 0.399 nan 8.360 nan 0.000 0.477 377 I N 1.142 121.718 120.570 0.009 0.000 2.202 377 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 377 I C 2.474 178.611 176.117 0.032 0.000 1.091 377 I CA 0.976 62.289 61.300 0.022 0.000 1.368 377 I CB -0.199 37.815 38.000 0.024 0.000 1.058 377 I HN 0.084 nan 8.210 nan 0.000 0.410 378 L N 0.501 121.739 121.223 0.026 0.000 2.362 378 L HA -0.112 4.228 4.340 -0.000 0.000 0.219 378 L C 2.147 179.037 176.870 0.032 0.000 1.134 378 L CA 0.986 55.843 54.840 0.029 0.000 0.807 378 L CB -0.401 41.670 42.059 0.022 0.000 0.927 378 L HN 0.327 nan 8.230 nan 0.000 0.447 379 S N -1.074 114.643 115.700 0.028 0.000 2.597 379 S HA 0.273 4.743 4.470 -0.000 0.000 0.224 379 S C 0.561 175.181 174.600 0.035 0.000 0.955 379 S CA -0.550 57.667 58.200 0.028 0.000 0.933 379 S CB -0.499 62.714 63.200 0.021 0.000 0.788 379 S HN 0.196 nan 8.310 nan 0.000 0.488 380 I N 2.651 123.247 120.570 0.044 0.000 2.416 380 I HA 0.196 4.366 4.170 -0.000 0.000 0.288 380 I C 0.151 176.306 176.117 0.064 0.000 1.051 380 I CA -0.551 60.782 61.300 0.054 0.000 1.375 380 I CB 0.295 38.334 38.000 0.066 0.000 1.407 380 I HN 0.019 nan 8.210 nan 0.000 0.516 381 D N 6.667 127.104 120.400 0.062 0.000 2.389 381 D HA -0.047 4.592 4.640 -0.000 0.000 0.263 381 D C 0.423 176.775 176.300 0.087 0.000 1.255 381 D CA 0.296 54.335 54.000 0.065 0.000 0.914 381 D CB 0.348 41.181 40.800 0.055 0.000 1.116 381 D HN 0.613 nan 8.370 nan 0.000 0.502 382 N N 0.835 119.588 118.700 0.089 0.000 2.241 382 N HA -0.034 4.706 4.740 -0.000 0.000 0.238 382 N C 0.518 176.086 175.510 0.097 0.000 1.244 382 N CA -0.396 52.725 53.050 0.117 0.000 0.880 382 N CB -0.067 38.491 38.487 0.120 0.000 1.179 382 N HN 0.099 nan 8.380 nan 0.000 0.513 383 S N -0.109 115.636 115.700 0.074 0.000 2.440 383 S HA -0.195 4.275 4.470 -0.000 0.000 0.238 383 S C 0.970 175.608 174.600 0.063 0.000 1.010 383 S CA 0.572 58.806 58.200 0.055 0.000 0.972 383 S CB -0.360 62.867 63.200 0.045 0.000 0.774 383 S HN 0.437 nan 8.310 nan 0.000 0.501 384 K N 3.270 123.732 120.400 0.103 0.000 2.437 384 K HA -0.043 4.277 4.320 -0.000 0.000 0.277 384 K C -0.421 176.247 176.600 0.114 0.000 1.073 384 K CA 0.644 57.020 56.287 0.147 0.000 1.105 384 K CB -0.120 32.516 32.500 0.226 0.000 0.881 384 K HN 0.199 nan 8.250 nan 0.000 0.475 385 E N 4.954 125.181 120.200 0.044 0.000 2.070 385 E HA 0.109 4.459 4.350 -0.000 0.000 0.261 385 E C -1.053 175.526 176.600 -0.034 0.000 0.926 385 E CA -0.714 55.632 56.400 -0.089 0.000 0.760 385 E CB 0.314 29.978 29.700 -0.060 0.000 1.133 385 E HN 0.589 nan 8.360 nan 0.000 0.420 386 Y N 0.297 120.633 120.300 0.060 0.000 2.631 386 Y HA 0.720 5.270 4.550 -0.000 0.000 0.328 386 Y C -0.079 175.857 175.900 0.061 0.000 1.118 386 Y CA -1.688 56.446 58.100 0.057 0.000 1.206 386 Y CB 0.464 38.960 38.460 0.060 0.000 1.337 386 Y HN 0.236 nan 8.280 nan 0.000 0.515 387 A N 1.543 124.545 122.820 0.304 0.000 2.451 387 A HA 0.451 4.771 4.320 -0.000 0.000 0.266 387 A C -0.255 177.526 177.584 0.328 0.000 1.119 387 A CA -0.625 51.539 52.037 0.212 0.000 0.786 387 A CB -0.894 18.199 19.000 0.154 0.000 1.061 387 A HN 0.684 nan 8.150 nan 0.000 0.503 388 V N 5.241 125.280 119.914 0.208 0.000 2.625 388 V HA 0.085 4.205 4.120 -0.000 0.000 0.305 388 V C -1.615 174.606 176.094 0.212 0.000 1.055 388 V CA -0.440 61.997 62.300 0.230 0.000 1.209 388 V CB -0.483 31.406 31.823 0.110 0.000 0.877 388 V HN 0.875 nan 8.190 nan 0.000 0.489 389 P HA 0.445 nan 4.420 nan 0.000 0.290 389 P C -0.744 176.640 177.300 0.142 0.000 1.275 389 P CA -0.889 62.322 63.100 0.185 0.000 0.841 389 P CB 1.085 32.900 31.700 0.192 0.000 1.042 390 R N 1.510 122.107 120.500 0.162 0.000 2.265 390 R HA 0.365 4.705 4.340 -0.000 0.000 0.314 390 R C 1.372 177.797 176.300 0.208 0.000 1.053 390 R CA -0.309 55.879 56.100 0.147 0.000 0.931 390 R CB 1.172 31.547 30.300 0.125 0.000 1.024 390 R HN 0.575 nan 8.270 nan 0.000 0.457 391 A N 4.551 127.482 122.820 0.185 0.000 1.958 391 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 391 A C 1.981 179.765 177.584 0.334 0.000 1.178 391 A CA 1.477 53.670 52.037 0.260 0.000 0.642 391 A CB -0.382 18.734 19.000 0.193 0.000 0.816 391 A HN 0.760 nan 8.150 nan 0.000 0.453 392 I N 0.219 120.935 120.570 0.243 0.000 2.133 392 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 392 I C 2.916 179.155 176.117 0.204 0.000 1.074 392 I CA 1.726 63.150 61.300 0.208 0.000 1.342 392 I CB -0.327 37.770 38.000 0.161 0.000 1.053 392 I HN 0.515 nan 8.210 nan 0.000 0.404 393 S N 0.716 116.529 115.700 0.189 0.000 2.423 393 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 393 S C 1.949 176.662 174.600 0.189 0.000 1.014 393 S CA 0.560 58.853 58.200 0.155 0.000 0.965 393 S CB -0.923 62.348 63.200 0.118 0.000 0.785 393 S HN 0.436 nan 8.310 nan 0.000 0.495 394 F N 3.423 123.439 119.950 0.109 0.000 2.026 394 F HA -0.147 4.380 4.527 -0.000 0.000 0.296 394 F C 2.457 178.318 175.800 0.103 0.000 1.133 394 F CA 2.269 60.336 58.000 0.111 0.000 1.188 394 F CB -1.259 37.845 39.000 0.175 0.000 0.968 394 F HN 0.178 nan 8.300 nan 0.000 0.476 395 T N 0.219 114.905 114.554 0.220 0.000 2.699 395 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 395 T C 2.122 176.859 174.700 0.062 0.000 1.036 395 T CA 1.602 63.754 62.100 0.085 0.000 1.147 395 T CB -1.435 67.606 68.868 0.289 0.000 0.862 395 T HN 0.520 nan 8.240 nan 0.000 0.446 396 G N 1.125 109.965 108.800 0.067 0.000 2.446 396 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 396 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 396 G C 1.855 176.772 174.900 0.028 0.000 1.168 396 G CA 0.962 46.088 45.100 0.043 0.000 0.771 396 G HN 0.613 nan 8.290 nan 0.000 0.551 397 A N 0.459 123.265 122.820 -0.022 0.000 1.902 397 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 397 A C 2.472 179.969 177.584 -0.144 0.000 1.181 397 A CA 1.958 53.959 52.037 -0.059 0.000 0.623 397 A CB -0.355 18.616 19.000 -0.049 0.000 0.818 397 A HN 0.293 nan 8.150 nan 0.000 0.443 398 M N -1.747 117.676 119.600 -0.295 0.000 2.065 398 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 398 M C 2.180 178.347 176.300 -0.221 0.000 1.069 398 M CA 1.617 56.697 55.300 -0.366 0.000 1.110 398 M CB -1.453 30.804 32.600 -0.572 0.000 1.328 398 M HN 0.550 nan 8.290 nan 0.000 0.405 399 Y N 0.827 121.013 120.300 -0.190 0.000 2.151 399 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 399 Y C 2.673 178.540 175.900 -0.055 0.000 1.166 399 Y CA 2.090 60.142 58.100 -0.080 0.000 1.163 399 Y CB -0.829 37.603 38.460 -0.047 0.000 0.974 399 Y HN 0.295 nan 8.280 nan 0.000 0.511 400 T N 0.151 114.751 114.554 0.077 0.000 2.881 400 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 400 T C 1.709 176.363 174.700 -0.076 0.000 1.068 400 T CA 1.132 63.232 62.100 -0.001 0.000 1.131 400 T CB -0.353 68.510 68.868 -0.009 0.000 0.871 400 T HN 0.255 nan 8.240 nan 0.000 0.479 401 L N -0.067 121.087 121.223 -0.116 0.000 2.554 401 L HA 0.263 4.603 4.340 -0.000 0.000 0.226 401 L C 1.892 178.652 176.870 -0.183 0.000 1.137 401 L CA 0.442 55.187 54.840 -0.158 0.000 0.863 401 L CB -0.114 41.830 42.059 -0.192 0.000 0.985 401 L HN 0.474 nan 8.230 nan 0.000 0.451 402 G N -0.077 108.629 108.800 -0.157 0.000 2.163 402 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.213 402 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.213 402 G C 0.257 174.999 174.900 -0.264 0.000 0.991 402 G CA -0.242 44.781 45.100 -0.127 0.000 0.653 402 G HN 0.257 nan 8.290 nan 0.000 0.518 403 M N 1.179 120.524 119.600 -0.425 0.000 3.003 403 M HA 0.276 4.756 4.480 -0.000 0.000 0.221 403 M C -2.681 173.343 176.300 -0.461 0.000 1.126 403 M CA -1.656 53.175 55.300 -0.781 0.000 0.778 403 M CB 1.431 33.411 32.600 -1.033 0.000 1.380 403 M HN -0.180 nan 8.290 nan 0.000 0.508 404 P HA -0.083 nan 4.420 nan 0.000 0.253 404 P C -1.832 175.317 177.300 -0.252 0.000 1.159 404 P CA -0.286 62.337 63.100 -0.796 0.000 0.779 404 P CB -0.073 31.237 31.700 -0.650 0.000 0.745 405 P HA -0.164 nan 4.420 nan 0.000 0.225 405 P C 1.023 178.314 177.300 -0.015 0.000 1.148 405 P CA 1.289 64.205 63.100 -0.307 0.000 0.779 405 P CB 0.191 31.347 31.700 -0.906 0.000 0.780 406 E N -0.176 120.074 120.200 0.084 0.000 2.130 406 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 406 E C 1.937 178.714 176.600 0.296 0.000 0.998 406 E CA 1.062 57.719 56.400 0.429 0.000 0.806 406 E CB -1.026 28.901 29.700 0.377 0.000 0.738 406 E HN 0.195 nan 8.360 nan 0.000 0.459 407 L N -0.119 121.203 121.223 0.165 0.000 2.072 407 L HA 0.022 4.362 4.340 -0.000 0.000 0.205 407 L C 1.203 178.062 176.870 -0.019 0.000 1.079 407 L CA 0.638 55.468 54.840 -0.017 0.000 0.752 407 L CB -0.346 41.531 42.059 -0.304 0.000 0.906 407 L HN 0.221 nan 8.230 nan 0.000 0.436 408 M N -0.193 119.507 119.600 0.168 0.000 2.336 408 M HA 0.099 4.579 4.480 -0.000 0.000 0.371 408 M C 1.400 177.917 176.300 0.361 0.000 1.542 408 M CA 1.300 56.769 55.300 0.282 0.000 0.959 408 M CB -0.116 32.724 32.600 0.400 0.000 2.033 408 M HN 0.393 nan 8.290 nan 0.000 0.472 409 G N 4.055 112.999 108.800 0.239 0.000 2.507 409 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.240 409 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.240 409 G C 0.742 175.740 174.900 0.163 0.000 1.119 409 G CA 0.581 45.846 45.100 0.275 0.000 0.664 409 G HN 0.631 nan 8.290 nan 0.000 0.516 410 M N 1.140 120.838 119.600 0.163 0.000 2.159 410 M HA 0.064 4.544 4.480 -0.000 0.000 0.263 410 M C 2.680 178.987 176.300 0.011 0.000 1.063 410 M CA 2.020 57.377 55.300 0.095 0.000 1.110 410 M CB -1.943 30.733 32.600 0.128 0.000 1.374 410 M HN 0.426 nan 8.290 nan 0.000 0.411 411 G N 0.542 109.344 108.800 0.004 0.000 2.511 411 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 411 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 411 G C 1.807 176.661 174.900 -0.078 0.000 1.218 411 G CA 0.731 45.852 45.100 0.035 0.000 0.788 411 G HN 0.410 nan 8.290 nan 0.000 0.560 412 R N 0.631 121.042 120.500 -0.149 0.000 2.120 412 R HA 0.070 4.410 4.340 -0.000 0.000 0.234 412 R C 2.964 178.866 176.300 -0.665 0.000 1.123 412 R CA 0.934 56.731 56.100 -0.504 0.000 0.975 412 R CB -0.329 29.669 30.300 -0.503 0.000 0.866 412 R HN 0.374 nan 8.270 nan 0.000 0.446 413 A N 1.505 124.089 122.820 -0.394 0.000 1.835 413 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 413 A C 2.154 179.649 177.584 -0.149 0.000 1.199 413 A CA 1.245 53.194 52.037 -0.147 0.000 0.615 413 A CB -0.757 18.265 19.000 0.037 0.000 0.838 413 A HN 0.176 nan 8.150 nan 0.000 0.444 414 L N -0.167 120.964 121.223 -0.153 0.000 2.064 414 L HA -0.315 4.025 4.340 -0.000 0.000 0.216 414 L C 2.543 179.307 176.870 -0.177 0.000 1.077 414 L CA 1.885 56.633 54.840 -0.153 0.000 0.766 414 L CB -0.787 41.205 42.059 -0.111 0.000 0.890 414 L HN 0.581 nan 8.230 nan 0.000 0.435 415 N N 0.143 118.653 118.700 -0.317 0.000 2.036 415 N HA -0.274 4.466 4.740 -0.000 0.000 0.195 415 N C 1.837 177.215 175.510 -0.220 0.000 1.037 415 N CA 1.841 54.649 53.050 -0.403 0.000 0.855 415 N CB -0.106 37.814 38.487 -0.945 0.000 1.033 415 N HN 0.328 nan 8.380 nan 0.000 0.423 416 E N -0.769 119.324 120.200 -0.179 0.000 2.204 416 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 416 E C 1.768 178.395 176.600 0.046 0.000 0.989 416 E CA 0.717 57.098 56.400 -0.031 0.000 0.824 416 E CB -0.036 29.711 29.700 0.079 0.000 0.756 416 E HN 0.440 nan 8.360 nan 0.000 0.477 417 I N 0.888 121.489 120.570 0.052 0.000 2.439 417 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 417 I C 2.432 178.646 176.117 0.162 0.000 1.139 417 I CA 0.888 62.294 61.300 0.175 0.000 1.438 417 I CB -0.093 37.898 38.000 -0.016 0.000 1.085 417 I HN -0.041 nan 8.210 nan 0.000 0.427 418 K N 0.257 120.682 120.400 0.042 0.000 2.057 418 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 418 K C 2.048 178.672 176.600 0.041 0.000 1.050 418 K CA 1.644 57.955 56.287 0.040 0.000 0.935 418 K CB -0.055 32.442 32.500 -0.006 0.000 0.715 418 K HN 0.244 nan 8.250 nan 0.000 0.439 419 T N 0.996 115.555 114.554 0.008 0.000 2.595 419 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 419 T C 1.726 176.404 174.700 -0.036 0.000 1.058 419 T CA 1.472 63.565 62.100 -0.011 0.000 1.166 419 T CB -0.099 68.755 68.868 -0.024 0.000 0.863 419 T HN 0.224 nan 8.240 nan 0.000 0.415 420 K N -0.626 119.729 120.400 -0.076 0.000 2.486 420 K HA 0.034 4.354 4.320 -0.000 0.000 0.194 420 K C 0.414 176.717 176.600 -0.495 0.000 1.033 420 K CA 0.733 56.841 56.287 -0.299 0.000 1.004 420 K CB 0.189 32.448 32.500 -0.402 0.000 0.798 420 K HN 0.440 nan 8.250 nan 0.000 0.495 421 Y N -1.507 118.833 120.300 0.068 0.000 2.729 421 Y HA 0.212 4.762 4.550 -0.000 0.000 0.266 421 Y C 0.713 176.649 175.900 0.060 0.000 1.064 421 Y CA -0.017 58.130 58.100 0.079 0.000 1.251 421 Y CB 1.105 39.651 38.460 0.144 0.000 1.379 421 Y HN 0.109 nan 8.280 nan 0.000 0.569 422 G N 1.034 109.921 108.800 0.146 0.000 2.601 422 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.252 422 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.252 422 G C 0.652 175.612 174.900 0.100 0.000 1.294 422 G CA 0.703 45.861 45.100 0.096 0.000 0.912 422 G HN 0.238 nan 8.290 nan 0.000 0.574 423 Q N -0.540 119.303 119.800 0.071 0.000 2.096 423 Q HA 0.054 4.394 4.340 -0.000 0.000 0.197 423 Q C 2.502 178.544 176.000 0.070 0.000 0.964 423 Q CA 2.245 58.082 55.803 0.058 0.000 0.838 423 Q CB -0.459 28.302 28.738 0.039 0.000 0.906 423 Q HN 0.748 nan 8.270 nan 0.000 0.444 424 E N -1.011 119.236 120.200 0.078 0.000 2.164 424 E HA -0.284 4.066 4.350 -0.000 0.000 0.206 424 E C 1.596 178.254 176.600 0.097 0.000 1.032 424 E CA 1.430 57.879 56.400 0.081 0.000 0.832 424 E CB -0.532 29.221 29.700 0.088 0.000 0.742 424 E HN 0.535 nan 8.360 nan 0.000 0.460 425 G N 1.346 110.232 108.800 0.143 0.000 2.524 425 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 425 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 425 G C 1.537 176.507 174.900 0.117 0.000 1.239 425 G CA 0.979 46.182 45.100 0.172 0.000 0.798 425 G HN 0.220 nan 8.290 nan 0.000 0.557 426 I N 1.929 122.532 120.570 0.055 0.000 2.145 426 I HA -0.183 3.987 4.170 -0.000 0.000 0.244 426 I C 2.359 178.480 176.117 0.006 0.000 1.075 426 I CA 1.594 62.885 61.300 -0.016 0.000 1.332 426 I CB -0.984 37.003 38.000 -0.021 0.000 1.033 426 I HN 0.196 nan 8.210 nan 0.000 0.410 427 D N 0.820 121.238 120.400 0.031 0.000 2.116 427 D HA -0.248 4.392 4.640 -0.000 0.000 0.193 427 D C 2.106 178.435 176.300 0.048 0.000 0.998 427 D CA 1.625 55.645 54.000 0.032 0.000 0.836 427 D CB -0.191 40.631 40.800 0.037 0.000 0.951 427 D HN 0.235 nan 8.370 nan 0.000 0.449 428 K N 0.991 121.433 120.400 0.071 0.000 2.057 428 K HA -0.102 4.217 4.320 -0.000 0.000 0.206 428 K C 2.079 178.757 176.600 0.130 0.000 1.050 428 K CA 0.518 56.861 56.287 0.094 0.000 0.935 428 K CB -0.699 31.855 32.500 0.089 0.000 0.715 428 K HN 0.084 nan 8.250 nan 0.000 0.439 429 L N 0.628 121.933 121.223 0.136 0.000 2.012 429 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 429 L C 1.970 178.882 176.870 0.070 0.000 1.073 429 L CA 1.696 56.601 54.840 0.108 0.000 0.748 429 L CB -0.481 41.502 42.059 -0.127 0.000 0.891 429 L HN 0.285 nan 8.230 nan 0.000 0.431 430 L N -0.628 120.605 121.223 0.017 0.000 2.191 430 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 430 L C 2.591 179.491 176.870 0.050 0.000 1.103 430 L CA 1.427 56.266 54.840 -0.002 0.000 0.769 430 L CB -0.440 41.603 42.059 -0.026 0.000 0.908 430 L HN 0.478 nan 8.230 nan 0.000 0.438 431 E N 0.519 120.764 120.200 0.075 0.000 2.107 431 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 431 E C 2.286 178.971 176.600 0.142 0.000 0.982 431 E CA 0.944 57.398 56.400 0.090 0.000 0.809 431 E CB 0.066 29.818 29.700 0.085 0.000 0.756 431 E HN 0.489 nan 8.360 nan 0.000 0.459 432 I N 0.033 120.715 120.570 0.188 0.000 2.252 432 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 432 I C 1.006 177.272 176.117 0.248 0.000 1.102 432 I CA 0.734 62.189 61.300 0.259 0.000 1.385 432 I CB 0.148 38.258 38.000 0.183 0.000 1.064 432 I HN 0.157 nan 8.210 nan 0.000 0.414 433 Y N 1.988 122.307 120.300 0.033 0.000 2.584 433 Y HA 0.370 4.920 4.550 -0.000 0.000 0.358 433 Y C -2.330 173.561 175.900 -0.014 0.000 1.028 433 Y CA -3.834 54.253 58.100 -0.021 0.000 1.148 433 Y CB 0.022 38.467 38.460 -0.025 0.000 1.126 433 Y HN -0.039 nan 8.280 nan 0.000 0.658 434 P HA -0.185 nan 4.420 nan 0.000 0.215 434 P C 1.973 179.277 177.300 0.006 0.000 1.157 434 P CA 1.673 64.803 63.100 0.050 0.000 0.868 434 P CB 0.386 32.120 31.700 0.056 0.000 0.788 435 I N -1.098 119.527 120.570 0.092 0.000 2.850 435 I HA -0.196 3.974 4.170 -0.000 0.000 0.266 435 I C 1.818 177.937 176.117 0.003 0.000 1.257 435 I CA 0.499 61.862 61.300 0.104 0.000 1.465 435 I CB -0.332 37.793 38.000 0.208 0.000 1.091 435 I HN -0.159 nan 8.210 nan 0.000 0.467 436 L N 2.006 122.976 121.223 -0.421 0.000 1.978 436 L HA -0.294 4.046 4.340 -0.000 0.000 0.218 436 L C 2.697 179.414 176.870 -0.255 0.000 1.075 436 L CA 2.681 57.042 54.840 -0.798 0.000 0.767 436 L CB -0.954 40.325 42.059 -1.302 0.000 0.890 436 L HN 0.414 nan 8.230 nan 0.000 0.434 437 R N -0.518 119.884 120.500 -0.163 0.000 2.083 437 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 437 R C 2.380 178.703 176.300 0.039 0.000 1.137 437 R CA 1.978 58.047 56.100 -0.051 0.000 0.951 437 R CB -0.912 29.365 30.300 -0.039 0.000 0.851 437 R HN 0.372 nan 8.270 nan 0.000 0.434 438 K N 0.386 120.831 120.400 0.075 0.000 2.097 438 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 438 K C 1.436 178.233 176.600 0.329 0.000 1.049 438 K CA 1.818 58.212 56.287 0.179 0.000 0.933 438 K CB -0.107 32.481 32.500 0.146 0.000 0.717 438 K HN 0.311 nan 8.250 nan 0.000 0.442 439 D N 0.860 121.440 120.400 0.300 0.000 2.092 439 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 439 D C 1.989 178.434 176.300 0.242 0.000 0.994 439 D CA 1.112 55.289 54.000 0.296 0.000 0.828 439 D CB -0.095 40.869 40.800 0.274 0.000 0.963 439 D HN 0.209 nan 8.370 nan 0.000 0.450 440 L N 0.581 121.913 121.223 0.181 0.000 2.131 440 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 440 L C 2.584 179.558 176.870 0.174 0.000 1.087 440 L CA 0.685 55.625 54.840 0.167 0.000 0.767 440 L CB -0.312 41.803 42.059 0.093 0.000 0.917 440 L HN -0.051 nan 8.230 nan 0.000 0.441 441 A N 0.152 123.068 122.820 0.159 0.000 1.908 441 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 441 A C 2.177 179.855 177.584 0.155 0.000 1.181 441 A CA 1.732 53.841 52.037 0.120 0.000 0.627 441 A CB -0.865 18.198 19.000 0.106 0.000 0.818 441 A HN 0.417 nan 8.150 nan 0.000 0.445 442 F N 0.774 120.806 119.950 0.137 0.000 2.075 442 F HA -0.063 4.464 4.527 -0.000 0.000 0.297 442 F C 2.540 178.500 175.800 0.266 0.000 1.113 442 F CA 1.555 59.668 58.000 0.188 0.000 1.218 442 F CB -0.351 38.754 39.000 0.174 0.000 0.984 442 F HN 0.252 nan 8.300 nan 0.000 0.472 443 A N 0.416 123.549 122.820 0.522 0.000 1.873 443 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 443 A C 2.337 180.085 177.584 0.273 0.000 1.186 443 A CA 1.654 53.984 52.037 0.490 0.000 0.616 443 A CB -1.587 17.632 19.000 0.365 0.000 0.823 443 A HN 0.515 nan 8.150 nan 0.000 0.442 444 A N -0.563 122.364 122.820 0.179 0.000 2.015 444 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 444 A C 2.124 179.778 177.584 0.116 0.000 1.163 444 A CA 1.382 53.534 52.037 0.191 0.000 0.646 444 A CB -0.474 18.645 19.000 0.199 0.000 0.806 444 A HN 0.523 nan 8.150 nan 0.000 0.448 445 R N -1.727 118.697 120.500 -0.127 0.000 2.211 445 R HA -0.158 4.182 4.340 -0.000 0.000 0.240 445 R C 0.368 176.362 176.300 -0.512 0.000 1.144 445 R CA 1.563 57.415 56.100 -0.414 0.000 0.992 445 R CB -0.296 29.521 30.300 -0.805 0.000 0.869 445 R HN 0.621 nan 8.270 nan 0.000 0.462 446 F N -0.840 119.056 119.950 -0.090 0.000 2.639 446 F HA 0.354 4.881 4.527 -0.000 0.000 0.302 446 F C 0.684 176.496 175.800 0.020 0.000 1.097 446 F CA -0.579 57.306 58.000 -0.192 0.000 1.294 446 F CB 0.352 39.175 39.000 -0.295 0.000 1.027 446 F HN -0.100 nan 8.300 nan 0.000 0.550 447 A N 0.876 123.873 122.820 0.295 0.000 2.302 447 A HA 0.556 4.876 4.320 -0.000 0.000 0.285 447 A C -0.079 177.720 177.584 0.360 0.000 1.105 447 A CA -0.303 51.916 52.037 0.302 0.000 0.816 447 A CB 0.507 19.700 19.000 0.322 0.000 1.067 447 A HN 0.287 nan 8.150 nan 0.000 0.489 448 N N 0.676 119.497 118.700 0.201 0.000 2.697 448 N HA 0.126 4.866 4.740 -0.000 0.000 0.271 448 N C 0.625 176.155 175.510 0.033 0.000 1.149 448 N CA 0.348 53.495 53.050 0.162 0.000 0.939 448 N CB 1.553 40.188 38.487 0.245 0.000 1.534 448 N HN 0.693 nan 8.380 nan 0.000 0.556 449 G N 1.484 110.285 108.800 0.001 0.000 2.448 449 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 449 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 449 G C 1.141 176.019 174.900 -0.036 0.000 1.127 449 G CA 1.216 46.302 45.100 -0.023 0.000 0.766 449 G HN 0.564 nan 8.290 nan 0.000 0.552 450 G N 0.162 108.947 108.800 -0.026 0.000 2.603 450 G HA2 0.084 4.044 3.960 -0.000 0.000 0.214 450 G HA3 0.084 4.044 3.960 -0.000 0.000 0.214 450 G C 1.605 176.473 174.900 -0.054 0.000 1.140 450 G CA 1.122 46.200 45.100 -0.036 0.000 0.800 450 G HN 0.615 nan 8.290 nan 0.000 0.533 451 V N -0.398 119.477 119.914 -0.064 0.000 3.608 451 V HA 0.162 4.282 4.120 -0.000 0.000 0.269 451 V C 1.983 178.015 176.094 -0.103 0.000 1.245 451 V CA 1.354 63.601 62.300 -0.088 0.000 1.138 451 V CB 0.156 31.919 31.823 -0.101 0.000 0.841 451 V HN 0.331 nan 8.190 nan 0.000 0.451 452 S N -0.818 114.819 115.700 -0.104 0.000 2.539 452 S HA 0.226 4.696 4.470 -0.000 0.000 0.221 452 S C 0.837 175.384 174.600 -0.088 0.000 0.987 452 S CA -0.311 57.823 58.200 -0.109 0.000 0.929 452 S CB -0.366 62.748 63.200 -0.143 0.000 0.832 452 S HN 0.621 nan 8.310 nan 0.000 0.492 453 K N 2.004 122.359 120.400 -0.075 0.000 2.430 453 K HA 0.067 4.387 4.320 -0.000 0.000 0.280 453 K C -0.095 176.469 176.600 -0.060 0.000 1.063 453 K CA 0.319 56.569 56.287 -0.061 0.000 1.071 453 K CB -0.001 32.468 32.500 -0.052 0.000 0.899 453 K HN 0.146 nan 8.250 nan 0.000 0.473 454 K N 2.348 122.714 120.400 -0.057 0.000 3.464 454 K HA -0.154 4.166 4.320 -0.000 0.000 0.286 454 K C 0.124 176.684 176.600 -0.067 0.000 1.352 454 K CA 1.320 57.573 56.287 -0.056 0.000 0.928 454 K CB -1.505 30.965 32.500 -0.051 0.000 1.424 454 K HN 0.684 nan 8.250 nan 0.000 0.484 455 I N -0.791 119.734 120.570 -0.074 0.000 3.518 455 I HA 0.138 4.308 4.170 -0.000 0.000 0.260 455 I C 0.610 176.676 176.117 -0.085 0.000 1.148 455 I CA -0.493 60.757 61.300 -0.084 0.000 1.440 455 I CB 0.202 38.152 38.000 -0.083 0.000 1.485 455 I HN -0.077 nan 8.210 nan 0.000 0.456 456 I N 1.912 122.429 120.570 -0.087 0.000 2.720 456 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 456 I C 0.107 176.182 176.117 -0.069 0.000 1.090 456 I CA 0.007 61.254 61.300 -0.089 0.000 1.384 456 I CB 0.093 38.028 38.000 -0.109 0.000 1.420 456 I HN 0.156 nan 8.210 nan 0.000 0.575 457 D N 3.259 123.623 120.400 -0.061 0.000 2.533 457 D HA -0.125 4.515 4.640 -0.000 0.000 0.236 457 D C 1.071 177.351 176.300 -0.034 0.000 1.137 457 D CA 0.457 54.431 54.000 -0.043 0.000 0.867 457 D CB 0.773 41.553 40.800 -0.033 0.000 1.170 457 D HN 0.506 nan 8.370 nan 0.000 0.474 458 E N 2.961 123.145 120.200 -0.027 0.000 2.058 458 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 458 E C 1.524 178.120 176.600 -0.008 0.000 0.997 458 E CA 1.885 58.273 56.400 -0.020 0.000 0.801 458 E CB -0.081 29.608 29.700 -0.018 0.000 0.746 458 E HN 0.703 nan 8.360 nan 0.000 0.450 459 E N -0.559 119.640 120.200 -0.001 0.000 2.086 459 E HA -0.297 4.053 4.350 -0.000 0.000 0.200 459 E C 1.915 178.527 176.600 0.021 0.000 1.012 459 E CA 1.630 58.037 56.400 0.012 0.000 0.812 459 E CB -0.354 29.355 29.700 0.015 0.000 0.743 459 E HN 0.371 nan 8.360 nan 0.000 0.453 460 A N 0.813 123.640 122.820 0.011 0.000 1.877 460 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 460 A C 2.171 179.774 177.584 0.032 0.000 1.186 460 A CA 1.749 53.796 52.037 0.017 0.000 0.620 460 A CB -0.600 18.391 19.000 -0.015 0.000 0.822 460 A HN 0.218 nan 8.150 nan 0.000 0.443 461 R N -0.970 119.533 120.500 0.004 0.000 2.080 461 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 461 R C 2.387 178.712 176.300 0.041 0.000 1.137 461 R CA 1.741 57.844 56.100 0.005 0.000 0.943 461 R CB -0.279 30.003 30.300 -0.030 0.000 0.846 461 R HN 0.484 nan 8.270 nan 0.000 0.431 462 Q N 0.556 120.370 119.800 0.023 0.000 2.173 462 Q HA -0.234 4.106 4.340 -0.000 0.000 0.208 462 Q C 1.853 177.876 176.000 0.039 0.000 0.989 462 Q CA 1.877 57.692 55.803 0.020 0.000 0.872 462 Q CB -0.206 28.541 28.738 0.015 0.000 0.909 462 Q HN 0.556 nan 8.270 nan 0.000 0.420 463 E N -0.791 119.449 120.200 0.067 0.000 2.106 463 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 463 E C 1.767 178.424 176.600 0.094 0.000 0.984 463 E CA 0.647 57.100 56.400 0.087 0.000 0.806 463 E CB -0.172 29.589 29.700 0.102 0.000 0.750 463 E HN 0.348 nan 8.360 nan 0.000 0.458 464 Y N 1.869 122.161 120.300 -0.014 0.000 2.224 464 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 464 Y C 1.821 177.677 175.900 -0.074 0.000 1.146 464 Y CA 1.516 59.596 58.100 -0.034 0.000 1.182 464 Y CB 0.211 38.636 38.460 -0.059 0.000 0.983 464 Y HN -0.150 nan 8.280 nan 0.000 0.524 465 K N -0.041 120.385 120.400 0.044 0.000 2.147 465 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 465 K C 1.863 178.355 176.600 -0.179 0.000 1.049 465 K CA 1.740 57.975 56.287 -0.087 0.000 0.936 465 K CB -0.157 32.305 32.500 -0.063 0.000 0.722 465 K HN 0.510 nan 8.250 nan 0.000 0.446 466 E N 0.880 121.004 120.200 -0.127 0.000 2.046 466 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 466 E C 1.643 178.178 176.600 -0.109 0.000 0.982 466 E CA 0.905 57.200 56.400 -0.175 0.000 0.800 466 E CB 0.047 29.766 29.700 0.031 0.000 0.756 466 E HN 0.247 nan 8.360 nan 0.000 0.449 467 D N 0.774 121.135 120.400 -0.065 0.000 2.103 467 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 467 D C 1.992 178.189 176.300 -0.172 0.000 0.997 467 D CA 1.266 55.205 54.000 -0.102 0.000 0.833 467 D CB -0.295 40.321 40.800 -0.306 0.000 0.961 467 D HN 0.121 nan 8.370 nan 0.000 0.447 468 M N 0.389 119.782 119.600 -0.345 0.000 2.151 468 M HA -0.289 4.191 4.480 -0.000 0.000 0.256 468 M C 2.213 178.429 176.300 -0.140 0.000 1.072 468 M CA 2.208 57.301 55.300 -0.345 0.000 1.090 468 M CB -0.216 32.014 32.600 -0.618 0.000 1.294 468 M HN -0.008 nan 8.290 nan 0.000 0.415 469 K N -1.000 119.282 120.400 -0.197 0.000 2.116 469 K HA -0.139 4.181 4.320 -0.000 0.000 0.203 469 K C 1.658 178.202 176.600 -0.094 0.000 1.052 469 K CA 1.244 57.464 56.287 -0.112 0.000 0.952 469 K CB -0.385 31.992 32.500 -0.205 0.000 0.729 469 K HN 0.201 nan 8.250 nan 0.000 0.446 470 Y N 1.677 121.956 120.300 -0.035 0.000 2.089 470 Y HA -0.214 4.336 4.550 -0.000 0.000 0.282 470 Y C 2.495 178.382 175.900 -0.023 0.000 1.139 470 Y CA 1.044 59.123 58.100 -0.036 0.000 1.123 470 Y CB -0.905 37.516 38.460 -0.066 0.000 0.980 470 Y HN -0.184 nan 8.280 nan 0.000 0.493 471 V N 0.903 120.902 119.914 0.142 0.000 2.236 471 V HA -0.431 3.689 4.120 -0.000 0.000 0.255 471 V C 2.405 178.545 176.094 0.077 0.000 1.068 471 V CA 2.433 64.781 62.300 0.080 0.000 1.044 471 V CB -0.845 31.012 31.823 0.058 0.000 0.653 471 V HN 0.493 nan 8.190 nan 0.000 0.448 472 N N -0.306 118.455 118.700 0.100 0.000 2.058 472 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 472 N C 1.900 177.435 175.510 0.042 0.000 1.037 472 N CA 2.192 55.286 53.050 0.074 0.000 0.848 472 N CB -0.201 38.360 38.487 0.123 0.000 1.021 472 N HN 0.636 nan 8.380 nan 0.000 0.422 473 E N 0.055 120.288 120.200 0.055 0.000 2.015 473 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 473 E C 2.208 178.835 176.600 0.045 0.000 0.991 473 E CA 1.025 57.452 56.400 0.044 0.000 0.802 473 E CB -0.151 29.582 29.700 0.055 0.000 0.759 473 E HN 0.375 nan 8.360 nan 0.000 0.447 474 I N 0.798 121.407 120.570 0.066 0.000 2.335 474 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 474 I C 1.851 177.977 176.117 0.015 0.000 1.129 474 I CA 1.094 62.419 61.300 0.042 0.000 1.402 474 I CB 0.032 38.054 38.000 0.036 0.000 1.069 474 I HN 0.096 nan 8.210 nan 0.000 0.424 475 L N -0.030 121.200 121.223 0.012 0.000 2.808 475 L HA 0.217 4.557 4.340 -0.000 0.000 0.246 475 L C 0.004 176.871 176.870 -0.005 0.000 1.153 475 L CA -0.129 54.708 54.840 -0.004 0.000 0.956 475 L CB -0.215 41.836 42.059 -0.013 0.000 1.270 475 L HN 0.239 nan 8.230 nan 0.000 0.528 476 N N 1.733 120.433 118.700 -0.001 0.000 2.652 476 N HA -0.207 4.533 4.740 -0.000 0.000 0.281 476 N C 0.640 176.137 175.510 -0.021 0.000 1.084 476 N CA 0.449 53.493 53.050 -0.011 0.000 0.775 476 N CB -0.684 37.797 38.487 -0.011 0.000 0.923 476 N HN 0.440 nan 8.380 nan 0.000 0.558 477 L N -0.560 120.647 121.223 -0.026 0.000 2.554 477 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 477 L C 1.610 178.436 176.870 -0.074 0.000 1.104 477 L CA 0.438 55.254 54.840 -0.040 0.000 0.866 477 L CB -0.041 41.999 42.059 -0.031 0.000 1.047 477 L HN 0.497 nan 8.230 nan 0.000 0.468 478 G N 2.161 110.913 108.800 -0.080 0.000 2.395 478 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 478 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 478 G C 0.021 174.823 174.900 -0.163 0.000 0.953 478 G CA 0.207 45.243 45.100 -0.108 0.000 1.207 478 G HN 0.218 nan 8.290 nan 0.000 0.503 479 L N -0.137 120.948 121.223 -0.231 0.000 2.375 479 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 479 L C -0.039 176.592 176.870 -0.400 0.000 1.058 479 L CA -0.833 53.793 54.840 -0.357 0.000 0.803 479 L CB 1.565 43.308 42.059 -0.527 0.000 1.212 479 L HN 0.239 nan 8.230 nan 0.000 0.451 480 D N 0.069 120.250 120.400 -0.365 0.000 2.440 480 D HA 0.167 4.807 4.640 -0.000 0.000 0.252 480 D C 0.197 176.390 176.300 -0.179 0.000 1.180 480 D CA -0.394 53.473 54.000 -0.222 0.000 0.894 480 D CB 0.933 41.664 40.800 -0.114 0.000 1.111 480 D HN 0.277 nan 8.370 nan 0.000 0.544 481 Y N 1.571 121.858 120.300 -0.022 0.000 2.242 481 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 481 Y C 2.007 177.859 175.900 -0.079 0.000 1.137 481 Y CA 0.776 58.844 58.100 -0.054 0.000 1.181 481 Y CB 0.079 38.520 38.460 -0.032 0.000 0.989 481 Y HN 0.373 nan 8.280 nan 0.000 0.527 482 D N -0.375 120.088 120.400 0.106 0.000 2.097 482 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 482 D C 2.051 178.357 176.300 0.009 0.000 0.989 482 D CA 1.266 55.292 54.000 0.043 0.000 0.827 482 D CB -0.695 40.135 40.800 0.051 0.000 0.966 482 D HN 0.303 nan 8.370 nan 0.000 0.456 483 F N 1.512 121.410 119.950 -0.086 0.000 2.126 483 F HA -0.177 4.349 4.527 -0.000 0.000 0.299 483 F C 2.263 177.981 175.800 -0.136 0.000 1.096 483 F CA 1.162 59.104 58.000 -0.097 0.000 1.255 483 F CB -0.235 38.707 39.000 -0.097 0.000 0.997 483 F HN -0.121 nan 8.300 nan 0.000 0.479 484 L N 0.054 121.258 121.223 -0.033 0.000 2.017 484 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 484 L C 2.275 178.817 176.870 -0.546 0.000 1.073 484 L CA 1.748 56.424 54.840 -0.272 0.000 0.745 484 L CB -0.904 40.957 42.059 -0.330 0.000 0.894 484 L HN 0.229 nan 8.230 nan 0.000 0.432 485 N N 0.322 118.748 118.700 -0.457 0.000 2.149 485 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 485 N C 1.649 177.057 175.510 -0.169 0.000 1.019 485 N CA 1.689 54.569 53.050 -0.283 0.000 0.857 485 N CB 0.099 38.515 38.487 -0.118 0.000 0.997 485 N HN 0.338 nan 8.380 nan 0.000 0.426 486 E N -1.688 118.382 120.200 -0.217 0.000 2.340 486 E HA 0.105 4.455 4.350 -0.000 0.000 0.194 486 E C 0.868 177.321 176.600 -0.245 0.000 0.996 486 E CA 0.547 56.827 56.400 -0.200 0.000 0.869 486 E CB 0.210 29.791 29.700 -0.197 0.000 0.835 486 E HN 0.526 nan 8.360 nan 0.000 0.493 487 N N -0.319 118.164 118.700 -0.361 0.000 2.445 487 N HA -0.001 4.739 4.740 -0.000 0.000 0.204 487 N C -0.085 175.353 175.510 -0.120 0.000 1.098 487 N CA -0.126 52.725 53.050 -0.332 0.000 0.859 487 N CB 0.626 38.690 38.487 -0.705 0.000 1.249 487 N HN -0.140 nan 8.380 nan 0.000 0.462 488 E N 0.571 120.730 120.200 -0.069 0.000 2.376 488 E HA 0.018 4.368 4.350 -0.000 0.000 0.266 488 E C 0.136 176.880 176.600 0.239 0.000 1.009 488 E CA -0.151 56.332 56.400 0.139 0.000 0.902 488 E CB 0.257 30.123 29.700 0.275 0.000 0.972 488 E HN 0.093 nan 8.360 nan 0.000 0.439 489 F N 5.133 125.148 119.950 0.108 0.000 2.134 489 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 489 F C 1.608 177.480 175.800 0.119 0.000 1.097 489 F CA 1.521 59.576 58.000 0.092 0.000 1.264 489 F CB -0.583 38.471 39.000 0.091 0.000 1.001 489 F HN 0.778 nan 8.300 nan 0.000 0.479 490 Y N 0.302 120.624 120.300 0.037 0.000 2.193 490 Y HA -0.329 4.221 4.550 -0.000 0.000 0.285 490 Y C 2.453 178.213 175.900 -0.233 0.000 1.166 490 Y CA 2.515 60.549 58.100 -0.110 0.000 1.181 490 Y CB -0.737 37.746 38.460 0.038 0.000 0.976 490 Y HN 0.224 nan 8.280 nan 0.000 0.520 491 H N -1.816 117.271 119.070 0.028 0.000 2.470 491 H HA -0.054 4.502 4.556 -0.000 0.000 0.289 491 H C 2.171 177.382 175.328 -0.195 0.000 1.033 491 H CA 1.691 57.711 56.048 -0.047 0.000 1.331 491 H CB -0.255 29.521 29.762 0.025 0.000 1.414 491 H HN 0.245 nan 8.280 nan 0.000 0.545 492 T N 0.650 115.126 114.554 -0.130 0.000 2.788 492 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 492 T C 2.007 176.449 174.700 -0.431 0.000 1.044 492 T CA 1.111 63.074 62.100 -0.227 0.000 1.139 492 T CB -0.208 68.572 68.868 -0.145 0.000 0.867 492 T HN 0.217 nan 8.240 nan 0.000 0.454 493 L N 0.177 121.025 121.223 -0.624 0.000 2.072 493 L HA 0.039 4.379 4.340 -0.000 0.000 0.205 493 L C 2.464 178.936 176.870 -0.664 0.000 1.079 493 L CA 0.858 55.266 54.840 -0.719 0.000 0.752 493 L CB -0.679 40.948 42.059 -0.720 0.000 0.906 493 L HN 0.199 nan 8.230 nan 0.000 0.436 494 L N -0.023 120.862 121.223 -0.564 0.000 2.013 494 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 494 L C 2.626 179.282 176.870 -0.356 0.000 1.073 494 L CA 1.650 56.240 54.840 -0.417 0.000 0.753 494 L CB -0.442 41.440 42.059 -0.296 0.000 0.890 494 L HN 0.219 nan 8.230 nan 0.000 0.432 495 K N -0.734 119.479 120.400 -0.313 0.000 2.148 495 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 495 K C 1.953 178.341 176.600 -0.353 0.000 1.050 495 K CA 1.738 57.867 56.287 -0.264 0.000 0.942 495 K CB -0.255 32.134 32.500 -0.186 0.000 0.724 495 K HN 0.473 nan 8.250 nan 0.000 0.446 496 T N -2.093 112.131 114.554 -0.549 0.000 3.055 496 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 496 T C 1.830 175.987 174.700 -0.903 0.000 1.111 496 T CA 1.102 62.765 62.100 -0.729 0.000 1.118 496 T CB -0.099 68.093 68.868 -1.127 0.000 0.909 496 T HN -0.006 nan 8.240 nan 0.000 0.501 497 T N 1.564 115.619 114.554 -0.832 0.000 2.939 497 T HA 0.108 4.458 4.350 -0.000 0.000 0.254 497 T C 1.788 176.301 174.700 -0.311 0.000 1.041 497 T CA 0.929 62.650 62.100 -0.632 0.000 1.142 497 T CB -0.145 68.435 68.868 -0.480 0.000 0.874 497 T HN 0.509 nan 8.240 nan 0.000 0.452 498 K N 1.593 121.832 120.400 -0.268 0.000 2.049 498 K HA -0.202 4.118 4.320 -0.000 0.000 0.219 498 K C -1.041 175.489 176.600 -0.116 0.000 1.056 498 K CA 2.088 58.275 56.287 -0.167 0.000 0.946 498 K CB -0.951 31.458 32.500 -0.151 0.000 0.723 498 K HN 0.242 nan 8.250 nan 0.000 0.453 499 P HA -0.111 nan 4.420 nan 0.000 0.222 499 P C 1.193 178.494 177.300 0.001 0.000 1.147 499 P CA 0.858 63.926 63.100 -0.053 0.000 0.790 499 P CB 0.033 31.696 31.700 -0.061 0.000 0.780 500 I N -1.187 119.381 120.570 -0.004 0.000 2.584 500 I HA -0.057 4.113 4.170 -0.000 0.000 0.255 500 I C 1.925 178.069 176.117 0.046 0.000 1.145 500 I CA 0.752 62.090 61.300 0.063 0.000 1.462 500 I CB -0.635 37.436 38.000 0.119 0.000 1.102 500 I HN -0.197 nan 8.210 nan 0.000 0.433 501 I N -0.428 120.136 120.570 -0.010 0.000 2.226 501 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 501 I C 2.521 178.647 176.117 0.015 0.000 1.100 501 I CA 1.409 62.710 61.300 0.002 0.000 1.374 501 I CB -0.324 37.660 38.000 -0.026 0.000 1.057 501 I HN 0.207 nan 8.210 nan 0.000 0.413 502 M N -0.550 119.049 119.600 -0.002 0.000 2.067 502 M HA -0.265 4.215 4.480 -0.000 0.000 0.260 502 M C 2.530 178.840 176.300 0.017 0.000 1.069 502 M CA 1.928 57.222 55.300 -0.011 0.000 1.117 502 M CB -0.790 31.802 32.600 -0.012 0.000 1.334 502 M HN 0.295 nan 8.290 nan 0.000 0.407 503 H N 0.505 119.560 119.070 -0.024 0.000 2.387 503 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 503 H C 1.742 177.075 175.328 0.008 0.000 1.090 503 H CA 1.800 57.843 56.048 -0.009 0.000 1.332 503 H CB -0.068 29.695 29.762 0.002 0.000 1.386 503 H HN 0.265 nan 8.280 nan 0.000 0.516 504 L N -0.827 120.397 121.223 0.002 0.000 2.068 504 L HA -0.095 4.245 4.340 -0.000 0.000 0.204 504 L C 2.625 179.490 176.870 -0.009 0.000 1.076 504 L CA 1.051 55.907 54.840 0.028 0.000 0.753 504 L CB -0.332 41.831 42.059 0.173 0.000 0.910 504 L HN 0.322 nan 8.230 nan 0.000 0.439 505 M N -0.241 119.292 119.600 -0.111 0.000 2.202 505 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 505 M C 1.142 177.278 176.300 -0.274 0.000 1.063 505 M CA 1.367 56.422 55.300 -0.409 0.000 1.097 505 M CB -0.551 31.795 32.600 -0.423 0.000 1.382 505 M HN 0.323 nan 8.290 nan 0.000 0.413 506 G N 1.261 109.951 108.800 -0.184 0.000 3.714 506 G HA2 0.519 4.479 3.960 -0.000 0.000 0.276 506 G HA3 0.519 4.479 3.960 -0.000 0.000 0.276 506 G C -0.565 174.241 174.900 -0.156 0.000 1.058 506 G CA -0.280 44.729 45.100 -0.151 0.000 1.700 506 G HN 0.178 nan 8.290 nan 0.000 0.605 507 L N -0.299 120.846 121.223 -0.130 0.000 2.466 507 L HA 0.385 4.725 4.340 -0.000 0.000 0.258 507 L C -0.320 176.521 176.870 -0.048 0.000 0.973 507 L CA -1.088 53.692 54.840 -0.100 0.000 0.826 507 L CB 2.748 44.742 42.059 -0.108 0.000 1.372 507 L HN 0.150 nan 8.230 nan 0.000 0.409 508 E N 2.266 122.447 120.200 -0.031 0.000 2.493 508 E HA -0.076 4.274 4.350 -0.000 0.000 0.255 508 E C 0.642 177.250 176.600 0.014 0.000 0.999 508 E CA 0.325 56.719 56.400 -0.009 0.000 0.934 508 E CB 0.963 30.659 29.700 -0.006 0.000 0.940 508 E HN 0.508 nan 8.360 nan 0.000 0.473 509 E N 4.002 124.217 120.200 0.025 0.000 2.086 509 E HA -0.275 4.075 4.350 -0.000 0.000 0.205 509 E C 1.333 177.964 176.600 0.051 0.000 1.027 509 E CA 1.358 57.791 56.400 0.053 0.000 0.830 509 E CB -0.034 29.695 29.700 0.049 0.000 0.751 509 E HN 0.609 nan 8.360 nan 0.000 0.456 510 N N -0.318 118.401 118.700 0.032 0.000 2.289 510 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 510 N C 1.627 177.154 175.510 0.028 0.000 1.016 510 N CA 1.042 54.107 53.050 0.026 0.000 0.872 510 N CB 0.289 38.787 38.487 0.017 0.000 0.973 510 N HN 0.005 nan 8.380 nan 0.000 0.433 511 V N 0.416 120.347 119.914 0.029 0.000 3.565 511 V HA 0.028 4.148 4.120 -0.000 0.000 0.260 511 V C 1.998 178.117 176.094 0.041 0.000 1.231 511 V CA 0.203 62.520 62.300 0.029 0.000 1.100 511 V CB 0.180 32.015 31.823 0.019 0.000 0.807 511 V HN 0.303 nan 8.190 nan 0.000 0.454 512 M N 0.811 120.442 119.600 0.053 0.000 2.065 512 M HA -0.142 4.338 4.480 -0.000 0.000 0.259 512 M C 2.506 178.868 176.300 0.102 0.000 1.069 512 M CA 1.930 57.283 55.300 0.089 0.000 1.110 512 M CB -0.512 32.169 32.600 0.135 0.000 1.328 512 M HN 0.241 nan 8.290 nan 0.000 0.405 513 R N 0.452 121.001 120.500 0.081 0.000 2.096 513 R HA -0.110 4.230 4.340 -0.000 0.000 0.240 513 R C 1.683 178.012 176.300 0.047 0.000 1.139 513 R CA 1.655 57.789 56.100 0.057 0.000 0.952 513 R CB -1.759 28.559 30.300 0.030 0.000 0.854 513 R HN 0.633 nan 8.270 nan 0.000 0.436 514 N N 1.137 119.861 118.700 0.040 0.000 2.515 514 N HA -0.048 4.692 4.740 -0.000 0.000 0.185 514 N C -0.255 175.278 175.510 0.039 0.000 1.109 514 N CA 0.292 53.361 53.050 0.032 0.000 0.903 514 N CB 0.145 38.647 38.487 0.024 0.000 0.969 514 N HN 0.156 nan 8.380 nan 0.000 0.450 515 S N 0.456 116.188 115.700 0.054 0.000 3.869 515 S HA 0.129 4.599 4.470 -0.000 0.000 0.241 515 S C 1.193 175.832 174.600 0.065 0.000 1.363 515 S CA -0.643 57.595 58.200 0.064 0.000 0.894 515 S CB 0.454 63.705 63.200 0.085 0.000 1.519 515 S HN 0.043 nan 8.310 nan 0.000 0.470 516 T N 1.345 115.926 114.554 0.045 0.000 2.674 516 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 516 T C 1.619 176.341 174.700 0.036 0.000 1.039 516 T CA 1.636 63.758 62.100 0.037 0.000 1.150 516 T CB -0.426 68.453 68.868 0.019 0.000 0.864 516 T HN 0.614 nan 8.240 nan 0.000 0.427 517 E N 1.306 121.523 120.200 0.028 0.000 2.204 517 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 517 E C 1.970 178.582 176.600 0.020 0.000 0.990 517 E CA 1.075 57.484 56.400 0.014 0.000 0.821 517 E CB -0.196 29.508 29.700 0.007 0.000 0.750 517 E HN 0.499 nan 8.360 nan 0.000 0.477 518 E N -0.373 119.857 120.200 0.051 0.000 2.158 518 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 518 E C 2.010 178.649 176.600 0.065 0.000 0.982 518 E CA 0.749 57.192 56.400 0.071 0.000 0.823 518 E CB -0.174 29.608 29.700 0.136 0.000 0.766 518 E HN 0.301 nan 8.360 nan 0.000 0.468 519 L N 0.736 122.011 121.223 0.087 0.000 2.093 519 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 519 L C 2.455 179.372 176.870 0.077 0.000 1.085 519 L CA 1.045 55.961 54.840 0.126 0.000 0.755 519 L CB -0.441 41.746 42.059 0.213 0.000 0.904 519 L HN 0.039 nan 8.230 nan 0.000 0.435 520 K N 0.946 121.368 120.400 0.036 0.000 2.152 520 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 520 K C 2.039 178.597 176.600 -0.070 0.000 1.048 520 K CA 1.401 57.681 56.287 -0.010 0.000 0.933 520 K CB -0.079 32.406 32.500 -0.026 0.000 0.721 520 K HN 0.279 nan 8.250 nan 0.000 0.447 521 I N 0.831 121.357 120.570 -0.074 0.000 2.133 521 I HA -0.295 3.875 4.170 -0.000 0.000 0.238 521 I C 2.311 178.349 176.117 -0.130 0.000 1.074 521 I CA 0.564 61.771 61.300 -0.155 0.000 1.342 521 I CB -0.277 37.681 38.000 -0.070 0.000 1.053 521 I HN 0.156 nan 8.210 nan 0.000 0.404 522 L N 1.044 122.261 121.223 -0.008 0.000 2.137 522 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 522 L C 2.079 178.954 176.870 0.009 0.000 1.085 522 L CA 1.872 56.723 54.840 0.019 0.000 0.760 522 L CB -1.066 40.836 42.059 -0.262 0.000 0.893 522 L HN 0.281 nan 8.230 nan 0.000 0.434 523 N N 0.065 118.754 118.700 -0.018 0.000 2.062 523 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 523 N C 1.713 177.205 175.510 -0.029 0.000 1.042 523 N CA 1.845 54.904 53.050 0.015 0.000 0.845 523 N CB -0.051 38.452 38.487 0.026 0.000 1.024 523 N HN 0.548 nan 8.380 nan 0.000 0.424 524 E N -0.351 119.764 120.200 -0.143 0.000 2.130 524 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 524 E C 1.971 178.468 176.600 -0.171 0.000 0.998 524 E CA 1.307 57.574 56.400 -0.221 0.000 0.806 524 E CB -0.270 29.191 29.700 -0.397 0.000 0.738 524 E HN 0.532 nan 8.360 nan 0.000 0.459 525 W N 0.708 121.974 121.300 -0.057 0.000 2.355 525 W HA -0.113 4.547 4.660 -0.000 0.000 0.309 525 W C 2.193 178.658 176.519 -0.088 0.000 1.206 525 W CA 0.112 57.404 57.345 -0.088 0.000 1.284 525 W CB -0.250 29.141 29.460 -0.115 0.000 1.145 525 W HN 0.013 nan 8.180 nan 0.000 0.502 526 I N -0.170 120.508 120.570 0.179 0.000 2.163 526 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 526 I C 2.200 178.362 176.117 0.074 0.000 1.085 526 I CA 1.303 62.658 61.300 0.092 0.000 1.347 526 I CB -1.040 37.004 38.000 0.074 0.000 1.044 526 I HN -0.174 nan 8.210 nan 0.000 0.408 527 V N 0.598 120.550 119.914 0.063 0.000 2.252 527 V HA -0.360 3.760 4.120 -0.000 0.000 0.249 527 V C 2.586 178.724 176.094 0.074 0.000 1.056 527 V CA 2.051 64.383 62.300 0.053 0.000 1.022 527 V CB -0.814 31.025 31.823 0.027 0.000 0.641 527 V HN 0.381 nan 8.190 nan 0.000 0.445 528 R N -1.045 119.511 120.500 0.093 0.000 2.105 528 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 528 R C 2.312 178.677 176.300 0.109 0.000 1.135 528 R CA 1.771 57.946 56.100 0.125 0.000 0.967 528 R CB -0.249 30.167 30.300 0.193 0.000 0.861 528 R HN 0.470 nan 8.270 nan 0.000 0.442 529 M N -1.159 118.472 119.600 0.052 0.000 2.349 529 M HA -0.026 4.454 4.480 -0.000 0.000 0.266 529 M C 2.131 178.524 176.300 0.154 0.000 1.076 529 M CA 1.183 56.487 55.300 0.006 0.000 1.126 529 M CB -0.021 32.473 32.600 -0.176 0.000 1.392 529 M HN 0.300 nan 8.290 nan 0.000 0.440 530 G N 0.663 109.517 108.800 0.089 0.000 2.484 530 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 530 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 530 G C 1.482 176.432 174.900 0.084 0.000 1.219 530 G CA 0.716 45.851 45.100 0.057 0.000 0.791 530 G HN 0.321 nan 8.290 nan 0.000 0.550 531 K N -0.319 120.144 120.400 0.106 0.000 2.117 531 K HA -0.201 4.119 4.320 -0.000 0.000 0.215 531 K C 2.599 179.287 176.600 0.146 0.000 1.053 531 K CA 1.887 58.248 56.287 0.123 0.000 0.935 531 K CB -0.438 32.140 32.500 0.131 0.000 0.719 531 K HN 0.251 nan 8.250 nan 0.000 0.460 532 V N 1.396 121.434 119.914 0.207 0.000 2.307 532 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 532 V C 2.146 178.364 176.094 0.207 0.000 1.045 532 V CA 2.177 64.645 62.300 0.280 0.000 1.024 532 V CB -0.649 31.466 31.823 0.487 0.000 0.651 532 V HN 0.420 nan 8.190 nan 0.000 0.449 533 R N 0.945 121.484 120.500 0.065 0.000 2.275 533 R HA 0.268 4.608 4.340 -0.000 0.000 0.199 533 R C 1.643 177.974 176.300 0.052 0.000 0.989 533 R CA 0.884 56.903 56.100 -0.134 0.000 1.016 533 R CB -0.278 29.598 30.300 -0.707 0.000 0.918 533 R HN 0.481 nan 8.270 nan 0.000 0.473 534 G N -0.077 108.764 108.800 0.068 0.000 2.159 534 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.256 534 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.256 534 G C -0.086 174.939 174.900 0.209 0.000 0.977 534 G CA 0.270 45.442 45.100 0.120 0.000 0.652 534 G HN 0.412 nan 8.290 nan 0.000 0.531 535 S N -1.622 114.123 115.700 0.076 0.000 2.550 535 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 535 S C 0.611 175.190 174.600 -0.035 0.000 1.145 535 S CA -0.124 58.096 58.200 0.033 0.000 0.852 535 S CB 1.698 64.892 63.200 -0.010 0.000 1.119 535 S HN 0.458 nan 8.310 nan 0.000 0.465 536 I N 2.155 122.724 120.570 -0.002 0.000 2.400 536 I HA 0.349 4.518 4.170 -0.000 0.000 0.248 536 I C 1.003 177.099 176.117 -0.034 0.000 1.109 536 I CA 1.355 62.650 61.300 -0.008 0.000 1.425 536 I CB -0.099 37.920 38.000 0.032 0.000 1.094 536 I HN 0.714 nan 8.210 nan 0.000 0.425 537 G N 0.000 108.795 108.800 -0.009 0.000 5.446 537 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 537 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 537 G CA 0.000 45.117 45.100 0.028 0.000 0.502 537 G HN 0.000 nan 8.290 nan 0.000 0.925